| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 77.6 Ų | 77.6 | 74% | 0.739 | 38% | 0.381 | S | S | * | . | 0 | -38.2 | 0 | -93.6 | -76.3 | -121.5 | 0 | 0 | 112.7 | V3 L4 K5 S584 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.88Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 2.97Å; M1-K5 PolarHBondContact O-N 3.18Å; M1-S584 PolarHBondContact N-O 3.5Å | |||
| 2 | N | 39.2 | Very low | 37 | Very low | 79 Ų | 79 | 76.6 Ų | 76.6 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 178.7 | -73.1 | -12.2 | 0 | 0 | 0 | 113.3 | L4 K5 T6 | N2-L4 VanDerWaalsContact C-N 3.29Å; N2-L4 PolarHBondContact O-N 3.47Å; N2-K5 CarbonylContact O-C 3.47Å; N2-K5 WeakPolarHBondContact O-CA 3.46Å; N2-K5 WeakPolarHBondContact O-CB 3.03Å; N2-K5 PolarHBondContact O-N 3.21Å; N2-T6 PolarHBondContact O-N 3.18Å; N2-T6 PolarHBondContact O-OG1 2.95Å |
| 3 | V | 42.3 | Very low | 36.2 | Very low | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -53.8 | -44.4 | 171.3 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | M1 T6 L7 I451 L455 L583 L604 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.88Å; V3-T6 WeakPolarHBondContact CA-OG1 3.09Å; V3-T6 PolarHBondContact O-OG1 2.72Å; V3-T6 VanDerWaalsContact O-OG1 3.13Å; V3-L7 HydrophobicContact CG1-CD1 3.7Å; V3-L7 HydrophobicContact CG1-CG 4.34Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 WeakPolarHBondContact O-CD1 3.41Å; V3-L7 WeakPolarHBondContact O-CG 3.24Å; V3-L7 PolarHBondContact O-N 3.4Å; V3-I451 HydrophobicContact CG1-CG2 4.11Å; V3-L455 HydrophobicContact CG1-CD1 4.33Å; V3-L583 WeakPolarHBondContact CG2-O 2.99Å; V3-L604 HydrophobicContact CB-CD1 3.94Å; V3-L604 HydrophobicContact CG1-CD1 3.67Å; V3-L604 HydrophobicContact CG2-CD1 3.64Å; V3-L604 HydrophobicContact CG2-CG 4.17Å |
| 4 | L | 42.4 | Very low | 35.4 | Very low | 59 Ų | 59 | 85 Ų | 85 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.6 | -35.2 | 177.2 | -75.3 | 170.4 | 0 | 0 | 0 | 111.8 | M1 N2 N8 V448 | M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 2.97Å; N2-L4 VanDerWaalsContact C-N 3.29Å; N2-L4 PolarHBondContact O-N 3.47Å; L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.41Å; L4-N8 PolarHBondContact O-ND2 2.97Å; L4-V448 HydrophobicContact CD1-CG2 3.67Å; L4-V448 HydrophobicContact CD2-CG2 4.42Å; L4-V448 HydrophobicContact CG-CG2 4.14Å |
| 5 | K | 43.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 84.3 Ų | 84.3 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -48.2 | 174.9 | -80.1 | -175.8 | 177.9 | 176.9 | 0 | 111.6 | M1 N2 N8 W9 | M1-K5 PolarHBondContact O-N 3.18Å; N2-K5 CarbonylContact O-C 3.47Å; N2-K5 WeakPolarHBondContact O-CA 3.46Å; N2-K5 WeakPolarHBondContact O-CB 3.03Å; N2-K5 PolarHBondContact O-N 3.21Å; K5-N8 CarbonylContact O-C 3.55Å; K5-N8 WeakPolarHBondContact O-CA 3.32Å; K5-N8 PolarHBondContact O-N 2.79Å; K5-N8 VanDerWaalsContact O-N 3.09Å; K5-W9 WeakPolarHBondContact O-CB 3.11Å; K5-W9 PolarHBondContact O-N 3.48Å |
| 6 | T | 41.5 | Very low | 33.8 | Very low | 52 Ų | 52 | 86.4 Ų | 86.4 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.8 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | N2 V3 N8 W9 C10 | N2-T6 PolarHBondContact O-N 3.18Å; N2-T6 PolarHBondContact O-OG1 2.95Å; V3-T6 WeakPolarHBondContact CA-OG1 3.09Å; V3-T6 PolarHBondContact O-OG1 2.72Å; V3-T6 VanDerWaalsContact O-OG1 3.13Å; T6-N8 PolarHBondContact O-N 2.7Å; T6-W9 PolarHBondContact O-N 3.03Å; T6-C10 PolarHBondContact O-N 2.8Å; T6-C10 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 41 | Very low | 33.1 | Very low | 9 Ų | 9 | 92.3 Ų | 92.3 | 5% | 0.047 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 172.2 | -72 | 172.4 | 0 | 0 | 0 | 112.8 | V3 A11 I349 I451 | V3-L7 HydrophobicContact CG1-CD1 3.7Å; V3-L7 HydrophobicContact CG1-CG 4.34Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 WeakPolarHBondContact O-CD1 3.41Å; V3-L7 WeakPolarHBondContact O-CG 3.24Å; V3-L7 PolarHBondContact O-N 3.4Å; L7-A11 VanDerWaalsContact O-CB 3.23Å; L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.2Å; L7-I349 HydrophobicContact CD1-CG2 4.48Å; L7-I349 HydrophobicContact CD2-CB 4.02Å; L7-I349 HydrophobicContact CD2-CD1 3.77Å; L7-I349 HydrophobicContact CD2-CG2 3.72Å; L7-I451 HydrophobicContact CD1-CD1 4.34Å; L7-I451 HydrophobicContact CD1-CG2 4.41Å |
| 8 | N | 37.2 | Very low | 32.6 | Very low | 93 Ų | 93 | 95.6 Ų | 95.6 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -83.2 | -30.4 | 175.5 | -78.8 | -19.4 | 0 | 0 | 0 | 113.1 | L4 K5 T6 A11 G12 | L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.41Å; L4-N8 PolarHBondContact O-ND2 2.97Å; K5-N8 CarbonylContact O-C 3.55Å; K5-N8 WeakPolarHBondContact O-CA 3.32Å; K5-N8 PolarHBondContact O-N 2.79Å; K5-N8 VanDerWaalsContact O-N 3.09Å; T6-N8 PolarHBondContact O-N 2.7Å; N8-A11 CarbonylContact O-C 3.54Å; N8-A11 WeakPolarHBondContact O-CA 3.24Å; N8-A11 WeakPolarHBondContact O-CB 3.37Å; N8-A11 PolarHBondContact O-N 3.38Å; N8-G12 PolarHBondContact O-N 3.32Å |
| 9 | W | 32 | Very low | 32 | Very low | 209 Ų | 209 | 101.8 Ų | 101.8 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -41.6 | 177.6 | -151.5 | 65 | 0 | 0 | 0 | 110.4 | K5 T6 A11 | K5-W9 WeakPolarHBondContact O-CB 3.11Å; K5-W9 PolarHBondContact O-N 3.48Å; T6-W9 PolarHBondContact O-N 3.03Å; W9-A11 PolarHBondContact O-N 3.34Å |
| 10 | C | 30.5 | Very low | 31.5 | Very low | 47 Ų | 47 | 103.9 Ų | 103.9 | 32% | 0.318 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.6 | 166.7 | -64 | 0 | 0 | 0 | 0 | 113.2 | T6 | T6-C10 PolarHBondContact O-N 2.8Å; T6-C10 VanDerWaalsContact O-N 3.13Å |
| 11 | A | 29.9 | Very low | 31 | Very low | 16 Ų | 16 | 103.3 Ų | 103.3 | 13% | 0.132 | 57% | 0.572 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L7 N8 W9 K13 K309 | L7-A11 VanDerWaalsContact O-CB 3.23Å; L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.2Å; N8-A11 CarbonylContact O-C 3.54Å; N8-A11 WeakPolarHBondContact O-CA 3.24Å; N8-A11 WeakPolarHBondContact O-CB 3.37Å; N8-A11 PolarHBondContact O-N 3.38Å; W9-A11 PolarHBondContact O-N 3.34Å; A11-K13 PolarHBondContact O-N 2.97Å; A11-K309 PolarHBondContact O-NZ 3.03Å |
| 12 | G | 27.3 | Very low | 30.4 | Very low | 65 Ų | 65 | 101.8 Ų | 101.8 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 39.7 | 162 | 0 | 0 | 0 | 0 | 0 | 116.6 | N8 | N8-G12 PolarHBondContact O-N 3.32Š|
| 13 | K | 26.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 102 Ų | 102 | 80% | 0.796 | 59% | 0.586 | S | S | * | * | trans | -131 | 132.6 | 169.1 | -83.3 | -168.1 | 173.8 | -176.1 | 0 | 112.4 | A11 | A11-K13 PolarHBondContact O-N 2.97Š| ||
| 14 | G | 25 | Very low | 28.6 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 91% | 0.907 | 63% | 0.627 | S | S | * | * | trans | -62.1 | 154.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 15 | G | 24.6 | Very low | 27.7 | Very low | 75 Ų | 75 | 115.3 Ų | 115.3 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | trans | 179.5 | 61.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K17 | G15-K17 PolarHBondContact O-N 2.98Š| ||
| 16 | S | 21.4 | Very low | 26.6 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 66% | 0.664 | S | S | * | * | trans | -58.7 | 109.6 | 164.2 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | K | 22.6 | Very low | 25.7 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 81% | 0.809 | 69% | 0.693 | S | S | * | * | trans | -178.1 | 92 | 154.5 | -100.3 | 171.5 | -172.6 | -163.9 | 0 | 106.2 | G15 Y19 | G15-K17 PolarHBondContact O-N 2.98Å; K17-Y19 PolarHBondContact O-N 3.28Å | ||
| 18 | L | 23 | Very low | 24.8 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -61 | 116.7 | 160.6 | -83.4 | 142.6 | 0 | 0 | 0 | 105.7 | D20 | L18-D20 PolarHBondContact O-N 2.84Š| ||
| 19 | Y | 22.1 | Very low | 24.1 | Very low | 214 Ų | 214 | 127.5 Ų | 127.5 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -78.3 | 100.1 | 159.1 | -94 | -89.6 | 0 | 0 | 0 | 104.9 | K17 S21 | K17-Y19 PolarHBondContact O-N 3.28Å; Y19-S21 VanDerWaalsContact C-N 3.35Å; Y19-S21 PolarHBondContact O-N 3.39Å; Y19-S21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | D | 21 | Very low | 23.7 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 95.7 | 164.5 | -66.7 | -34 | 0 | 0 | 0 | 106.7 | L18 | L18-D20 PolarHBondContact O-N 2.84Š| ||
| 21 | S | 21.7 | Very low | 23.5 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | trans | -134.2 | 96.5 | 156.3 | 60.9 | 0 | 0 | 0 | 0 | 105.4 | Y19 A23 | Y19-S21 VanDerWaalsContact C-N 3.35Å; Y19-S21 PolarHBondContact O-N 3.39Å; Y19-S21 VanDerWaalsContact O-N 3.16Å; S21-A23 PolarHBondContact O-N 3.29Å | ||
| 22 | P | 24.1 | Very low | 23.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -60 | 109.8 | 163.9 | 26 | -27.9 | 0 | 0 | 0 | 105 | E24 | P22-E24 PolarHBondContact O-N 3Š| ||
| 23 | A | 22.8 | Very low | 23.2 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -62.6 | 112.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | S21 L25 | S21-A23 PolarHBondContact O-N 3.29Å; A23-L25 VanDerWaalsContact C-N 3.27Å; A23-L25 PolarHBondContact O-N 3.47Å | ||
| 24 | E | 21.2 | Very low | 23.3 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -51.7 | 97.8 | 168.5 | -70.5 | 171.4 | 167.2 | 0 | 0 | 107 | P22 Q26 | P22-E24 PolarHBondContact O-N 3Å; E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 2.97Å | ||
| 25 | L | 22 | Very low | 23.6 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 101 | 167.2 | -85.4 | 154.6 | 0 | 0 | 0 | 104.8 | A23 H27 | A23-L25 VanDerWaalsContact C-N 3.27Å; A23-L25 PolarHBondContact O-N 3.47Å; L25-H27 PolarHBondContact O-N 2.87Å | ||
| 26 | Q | 21.6 | Very low | 24.1 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -50.9 | 114.1 | 169.7 | -73.3 | -177.4 | -22.8 | 0 | 0 | 107.7 | E24 G28 | E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 2.97Å; Q26-G28 PolarHBondContact O-N 3.49Å | ||
| 27 | H | 22.9 | Very low | 24.5 | Very low | 201 Ų | 201 | 127.3 Ų | 127.3 | 93% | 0.931 | 70% | 0.703 | S | S | * | * | trans | -63.6 | 84.7 | 173.5 | -74.5 | -43.5 | 0 | 0 | 0 | 108.7 | L25 | L25-H27 PolarHBondContact O-N 2.87Š| ||
| 28 | G | 21.1 | Very low | 25.1 | Very low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | trans | -126.9 | 64.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q26 | Q26-G28 PolarHBondContact O-N 3.49Š| ||
| 29 | S | 22.9 | Very low | 25.8 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | trans | 174.9 | 116.9 | 149.8 | 53 | 0 | 0 | 0 | 0 | 108.2 | V31 | S29-V31 VanDerWaalsContact O-CG2 3.27Å; S29-V31 WeakPolarHBondContact O-CG2 3.47Å; S29-V31 PolarHBondContact O-N 3.2Å | ||
| 30 | N | 23.1 | Very low | 26.6 | Very low | 160 Ų | 160 | 116.5 Ų | 116.5 | 86% | 0.856 | 66% | 0.663 | S | S | * | * | trans | -59.3 | 104.8 | 168 | -71.9 | -23.4 | 0 | 0 | 0 | 108.4 | S32 | N30-S32 PolarHBondContact O-N 2.97Š| ||
| 31 | V | 26.7 | Very low | 28 | Very low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | trans | -91.4 | 41.2 | -180 | -164.4 | 0 | 0 | 0 | 0 | 110.6 | S29 D33 L34 | S29-V31 VanDerWaalsContact O-CG2 3.27Å; S29-V31 WeakPolarHBondContact O-CG2 3.47Å; S29-V31 PolarHBondContact O-N 3.2Å; V31-D33 PolarHBondContact O-N 3.44Å; V31-L34 HydrophobicContact CG1-CD1 3.95Å | ||
| 32 | S | 25.3 | Very low | 30 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -7.2 | 174.3 | 45.6 | 0 | 0 | 0 | 0 | 113.4 | N30 | N30-S32 PolarHBondContact O-N 2.97Š|
| 33 | D | 26.1 | Very low | 32.5 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 15.7 | -164.8 | -68.3 | 6.8 | 0 | 0 | 0 | 115.3 | V31 S35 | V31-D33 PolarHBondContact O-N 3.44Å; D33-S35 PolarHBondContact O-N 2.98Å |
| 34 | L | 29.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 110.2 Ų | 110.2 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | trans | -80.9 | 69.2 | 163.1 | -95.3 | 137.8 | 0 | 0 | 0 | 109.2 | V31 I36 | V31-L34 HydrophobicContact CG1-CD1 3.95Å; L34-I36 PolarHBondContact O-N 2.99Å | ||
| 35 | S | 31.3 | Very low | 37.9 | Very low | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 58% | 0.577 | S | S | . | * | trans | -59.8 | 102.3 | 163.2 | 60.1 | 0 | 0 | 0 | 0 | 107.3 | D33 V37 N1106 | D33-S35 PolarHBondContact O-N 2.98Å; S35-V37 VanDerWaalsContact C-N 3.27Å; S35-V37 WeakPolarHBondContact O-CG2 3.46Å; S35-V37 PolarHBondContact O-N 3.37Å; S35-N1106 PolarHBondContact OG-ND2 3.41Å | ||
| 36 | I | 34 | Very low | 40.8 | Very low | 44 Ų | 44 | 95.3 Ų | 95.3 | 23% | 0.226 | 54% | 0.542 | C | S | . | . | trans | -63.9 | 100.7 | 162.4 | -65 | 164.8 | 0 | 0 | 0 | 105.3 | L34 T38 L69 L73 | L34-I36 PolarHBondContact O-N 2.99Å; I36-T38 HydrophobicContact CG2-CG2 3.42Å; I36-T38 VanDerWaalsContact CG2-CG2 3.42Å; I36-T38 PolarHBondContact O-N 3.41Å; I36-L69 HydrophobicContact CD1-CD1 3.21Å; I36-L69 HydrophobicContact CD1-CG 3.95Å; I36-L69 HydrophobicContact CG1-CD1 3.74Å; I36-L73 HydrophobicContact CD1-CD2 3.75Å; I36-L73 HydrophobicContact CD1-CG 4.06Å | ||
| 37 | V | 30.9 | Very low | 43.8 | Very low | 79 Ų | 79 | 86.8 Ų | 86.8 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | trans | -75.6 | 64.8 | 174.1 | -165.6 | 0 | 0 | 0 | 0 | 107.9 | S35 I39 N1106 | S35-V37 VanDerWaalsContact C-N 3.27Å; S35-V37 WeakPolarHBondContact O-CG2 3.46Å; S35-V37 PolarHBondContact O-N 3.37Å; V37-I39 VanDerWaalsContact C-N 3.35Å; V37-I39 HydrophobicContact CG1-CG1 4.43Å; V37-I39 PolarHBondContact O-N 3.02Å; V37-N1106 WeakPolarHBondContact CG2-OD1 3.37Å | ||
| 38 | T | 34.3 | Very low | 46.6 | Very low | 29 Ų | 29 | 81.8 Ų | 81.8 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | trans | -84.5 | 93 | 164.3 | 49.8 | 0 | 0 | 0 | 0 | 106.2 | I36 E40 L46 | I36-T38 HydrophobicContact CG2-CG2 3.42Å; I36-T38 VanDerWaalsContact CG2-CG2 3.42Å; I36-T38 PolarHBondContact O-N 3.41Å; T38-E40 PolarHBondContact O-N 3.46Å; T38-L46 HydrophobicContact CG2-CD2 3.69Å; T38-L46 HydrophobicContact CG2-CG 4.21Å | ||
| 39 | I | 37.3 | Very low | 49.4 | Very low | 120 Ų | 120 | 80.5 Ų | 80.5 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | trans | -44.6 | 123.7 | 162.9 | -58.1 | 165.3 | 0 | 0 | 0 | 106.2 | V37 G41 D42 | V37-I39 VanDerWaalsContact C-N 3.35Å; V37-I39 HydrophobicContact CG1-CG1 4.43Å; V37-I39 PolarHBondContact O-N 3.02Å; I39-G41 PolarHBondContact O-N 3.18Å; I39-D42 PolarHBondContact O-N 2.84Å | ||
| 40 | E | 39.3 | Very low | 52.4 | Low | 175 Ų | 175 | 76 Ų | 76 | 82% | 0.818 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 9.8 | -168.4 | -77.8 | -177.6 | 143.3 | 0 | 0 | 116.1 | T38 | T38-E40 PolarHBondContact O-N 3.46Š|
| 41 | G | 49.3 | Very low | 55.2 | Low | 69 Ų | 69 | 68.7 Ų | 68.7 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | I39 | I39-G41 PolarHBondContact O-N 3.18Š|
| 42 | D | 64.1 | Low | 57.6 | Low | 103 Ų | 103 | 66.6 Ų | 66.6 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | trans | -116.3 | 84 | -163.2 | -129.4 | -10.9 | 0 | 0 | 0 | 113.3 | I39 F44 A45 L46 | I39-D42 PolarHBondContact O-N 2.84Å; D42-F44 PolarHBondContact O-N 3.26Å; D42-F44 VanDerWaalsContact O-N 3.17Å; D42-A45 HydrophobicContact CB-CB 4Å; D42-A45 WeakPolarHBondContact O-CA 3.49Å; D42-A45 VanDerWaalsContact O-CB 3.28Å; D42-A45 WeakPolarHBondContact O-CB 3.43Å; D42-A45 PolarHBondContact O-N 2.93Å; D42-L46 PolarHBondContact O-N 3.36Å | ||
| 43 | Y | 76.9 | Confident | 60.2 | Low | 77 Ų | 77 | 62.4 Ų | 62.4 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.9 | -34.1 | 175.4 | 167 | -117.4 | 0 | 0 | 0 | 113.3 | A45 L46 K47 K80 D81 | Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 3.06Å; Y43-L46 WeakPolarHBondContact O-CB 3.42Å; Y43-L46 PolarHBondContact O-N 3.39Å; Y43-K47 HydrophobicContact CE1-CD 4.1Å; Y43-K47 HydrophobicContact CE2-CD 4.45Å; Y43-K47 HydrophobicContact CE2-CG 4.31Å; Y43-K47 PolarHBondContact O-N 3.23Å; Y43-K47 WeakPolarHBondContact OH-CE 3.32Å; Y43-K47 PolarHBondContact OH-NZ 2.8Å; Y43-K80 HydrophobicContact CD2-CB 3.99Å; Y43-K80 HydrophobicContact CD2-CD 3.87Å; Y43-K80 HydrophobicContact CE2-CB 3.78Å; Y43-D81 HydrophobicContact CE2-CB 4.11Å; Y43-D81 WeakPolarHBondContact OH-CB 3.5Å; Y43-D81 VanDerWaalsContact OH-CG 3.23Å; Y43-D81 PolarHBondContact OH-OD2 3.03Å |
| 44 | F | 80.3 | Confident | 62.6 | Low | 58 Ų | 58 | 56 Ų | 56 | 25% | 0.254 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 174.5 | -178.2 | -97.1 | 0 | 0 | 0 | 112.8 | D42 K47 R48 K618 V621 | D42-F44 PolarHBondContact O-N 3.26Å; D42-F44 VanDerWaalsContact O-N 3.17Å; F44-K47 PolarHBondContact O-N 3.24Å; F44-R48 WeakPolarHBondContact O-CB 3.21Å; F44-R48 PolarHBondContact O-N 3.4Å; F44-K618 HydrophobicContact CE1-CB 4.23Å; F44-K618 HydrophobicContact CE1-CD 3.99Å; F44-K618 HydrophobicContact CE1-CG 3.66Å; F44-K618 VanDerWaalsContact CZ-CA 3.42Å; F44-K618 HydrophobicContact CZ-CB 3.6Å; F44-K618 HydrophobicContact CZ-CD 3.98Å; F44-K618 HydrophobicContact CZ-CG 3.56Å; F44-V621 HydrophobicContact CD2-CB 4.4Å; F44-V621 HydrophobicContact CD2-CG1 3.97Å; F44-V621 HydrophobicContact CE2-CB 3.96Å; F44-V621 HydrophobicContact CE2-CG1 3.98Å |
| 45 | A | 77.4 | Confident | 64.7 | Low | 15 Ų | 15 | 50.2 Ų | 50.2 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D42 Y43 K47 R48 D49 | D42-A45 HydrophobicContact CB-CB 4Å; D42-A45 WeakPolarHBondContact O-CA 3.49Å; D42-A45 VanDerWaalsContact O-CB 3.28Å; D42-A45 WeakPolarHBondContact O-CB 3.43Å; D42-A45 PolarHBondContact O-N 2.93Å; Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 3.06Å; A45-K47 PolarHBondContact O-N 3.48Å; A45-R48 WeakPolarHBondContact O-CB 3.44Å; A45-R48 PolarHBondContact O-N 3.11Å; A45-D49 WeakPolarHBondContact O-CB 3.45Å; A45-D49 PolarHBondContact O-N 3.31Å |
| 46 | L | 82.7 | Confident | 66.6 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.6 | -73.9 | 167.6 | 0 | 0 | 0 | 112.2 | T38 D42 Y43 R48 D49 L50 L73 K76 K80 | T38-L46 HydrophobicContact CG2-CD2 3.69Å; T38-L46 HydrophobicContact CG2-CG 4.21Å; D42-L46 PolarHBondContact O-N 3.36Å; Y43-L46 WeakPolarHBondContact O-CB 3.42Å; Y43-L46 PolarHBondContact O-N 3.39Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; L46-D49 PolarHBondContact O-N 3.29Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 2.94Å; L46-L73 HydrophobicContact CD2-CD2 4.41Å; L46-K76 HydrophobicContact CD2-CB 4.33Å; L46-K76 HydrophobicContact CD2-CD 4.09Å; L46-K80 HydrophobicContact CD1-CD 4.49Å |
| 47 | K | 85.7 | Confident | 68.2 | Low | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.1 | -74.9 | -168.5 | 159.1 | 176.4 | 0 | 111.6 | Y43 F44 A45 L50 V51 D81 F84 V621 D625 | Y43-K47 HydrophobicContact CE1-CD 4.1Å; Y43-K47 HydrophobicContact CE2-CD 4.45Å; Y43-K47 HydrophobicContact CE2-CG 4.31Å; Y43-K47 PolarHBondContact O-N 3.23Å; Y43-K47 WeakPolarHBondContact OH-CE 3.32Å; Y43-K47 PolarHBondContact OH-NZ 2.8Å; F44-K47 PolarHBondContact O-N 3.24Å; A45-K47 PolarHBondContact O-N 3.48Å; K47-L50 PolarHBondContact O-N 3.45Å; K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 VanDerWaalsContact O-CG2 3.25Å; K47-V51 WeakPolarHBondContact O-CG2 3.18Å; K47-V51 PolarHBondContact O-N 3.21Å; K47-D81 IonicContact NZ-OD2 3.59Å; K47-D81 PolarHBondContact NZ-OD2 3.05Å; K47-F84 HydrophobicContact CB-CD1 4.5Å; K47-F84 HydrophobicContact CB-CE1 3.66Å; K47-F84 HydrophobicContact CB-CZ 3.75Å; K47-F84 HydrophobicContact CD-CD1 4.09Å; K47-F84 HydrophobicContact CD-CD2 3.96Å; K47-F84 HydrophobicContact CD-CE1 3.82Å; K47-F84 HydrophobicContact CD-CE2 3.67Å; K47-F84 HydrophobicContact CD-CG 4.17Å; K47-F84 HydrophobicContact CD-CZ 3.61Å; K47-F84 HydrophobicContact CG-CD1 3.84Å; K47-F84 HydrophobicContact CG-CE1 3.46Å; K47-F84 VanDerWaalsContact CG-CE1 3.46Å; K47-F84 HydrophobicContact CG-CE2 4.28Å; K47-F84 HydrophobicContact CG-CG 4.4Å; K47-F84 HydrophobicContact CG-CZ 3.73Å; K47-V621 HydrophobicContact CB-CG1 3.72Å; K47-V621 HydrophobicContact CB-CG2 4.08Å; K47-V621 HydrophobicContact CD-CG1 3.73Å; K47-V621 HydrophobicContact CG-CG1 4.37Å; K47-D625 VanDerWaalsContact NZ-CG 3.29Å; K47-D625 IonicContact NZ-OD1 2.73Å; K47-D625 PolarHBondContact NZ-OD1 3.39Å; K47-D625 IonicContact NZ-OD2 3.67Å; K47-D625 PolarHBondContact NZ-OD2 2.97Å; K47-D625 VanDerWaalsContact NZ-OD2 3.12Å |
| 48 | R | 81.1 | Confident | 69.7 | Low | 96 Ų | 96 | 43 Ų | 43 | 36% | 0.362 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -50.9 | 175.7 | 171.4 | -176.2 | 75.7 | 179.5 | 0.9 | 111 | F44 A45 L46 L50 V51 D52 D617 V621 | F44-R48 WeakPolarHBondContact O-CB 3.21Å; F44-R48 PolarHBondContact O-N 3.4Å; A45-R48 WeakPolarHBondContact O-CB 3.44Å; A45-R48 PolarHBondContact O-N 3.11Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; R48-L50 VanDerWaalsContact C-N 3.29Å; R48-L50 PolarHBondContact O-N 3.3Å; R48-V51 PolarHBondContact O-N 3.08Å; R48-D52 WeakPolarHBondContact O-CB 3.48Å; R48-D52 PolarHBondContact O-N 2.86Å; R48-D617 HydrophobicContact CG-CB 3.7Å; R48-V621 HydrophobicContact CB-CG2 4.3Å |
| 49 | D | 80.4 | Confident | 71 | Confident | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -35.7 | -173.7 | -63.8 | -6.2 | 0 | 0 | 0 | 110.5 | A45 L46 L53 L73 | A45-D49 WeakPolarHBondContact O-CB 3.45Å; A45-D49 PolarHBondContact O-N 3.31Å; L46-D49 PolarHBondContact O-N 3.29Å; D49-L53 VanDerWaalsContact O-CB 3.25Å; D49-L53 WeakPolarHBondContact O-CB 3.3Å; D49-L53 PolarHBondContact O-N 2.84Å; D49-L73 HydrophobicContact CB-CD1 4.38Å; D49-L73 HydrophobicContact CB-CD2 4.46Å |
| 50 | L | 85.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -45.7 | 172.3 | 179.1 | 62.7 | 0 | 0 | 0 | 112 | L46 K47 R48 L53 L54 L70 L73 I74 C77 F84 I85 I88 | L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 2.94Å; K47-L50 PolarHBondContact O-N 3.45Å; R48-L50 VanDerWaalsContact C-N 3.29Å; R48-L50 PolarHBondContact O-N 3.3Å; L50-L53 PolarHBondContact O-N 2.86Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 4.03Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-L70 HydrophobicContact CD1-CD1 3.62Å; L50-L73 HydrophobicContact CB-CB 4.36Å; L50-L73 HydrophobicContact CD1-CB 3.88Å; L50-I74 HydrophobicContact CD1-CG1 3.96Å; L50-C77 HydrophobicContact CD2-CB 4.05Å; L50-F84 HydrophobicContact CD2-CD1 4.44Å; L50-I85 HydrophobicContact CD2-CD1 3.63Å; L50-I88 HydrophobicContact CD2-CD1 3.58Å; L50-I88 HydrophobicContact CG-CD1 3.99Å |
| 51 | V | 81.8 | Confident | 73 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | K47 R48 L54 S55 F84 I88 L620 I624 | K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 VanDerWaalsContact O-CG2 3.25Å; K47-V51 WeakPolarHBondContact O-CG2 3.18Å; K47-V51 PolarHBondContact O-N 3.21Å; R48-V51 PolarHBondContact O-N 3.08Å; V51-L54 PolarHBondContact O-N 3Å; V51-S55 WeakPolarHBondContact O-CB 3.31Å; V51-S55 PolarHBondContact O-N 3.49Å; V51-S55 PolarHBondContact O-OG 3.47Å; V51-F84 HydrophobicContact CG2-CE1 4.26Å; V51-F84 HydrophobicContact CG2-CZ 4.03Å; V51-I88 HydrophobicContact CG2-CD1 4.25Å; V51-I88 HydrophobicContact CG2-CG1 4.4Å; V51-L620 HydrophobicContact CG1-CD1 4.38Å; V51-I624 HydrophobicContact CB-CD1 4.49Å; V51-I624 HydrophobicContact CG1-CD1 4Å; V51-I624 HydrophobicContact CG2-CD1 3.58Å |
| 52 | D | 77.1 | Confident | 73.3 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 177.4 | -167.8 | 58.6 | 0 | 0 | 0 | 109.8 | R48 L54 S55 T56 K577 | R48-D52 WeakPolarHBondContact O-CB 3.48Å; R48-D52 PolarHBondContact O-N 2.86Å; D52-L54 PolarHBondContact O-N 3.28Å; D52-S55 WeakPolarHBondContact CA-OG 3.29Å; D52-S55 CarbonylContact O-C 3.52Å; D52-S55 WeakPolarHBondContact O-CA 3.47Å; D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 VanDerWaalsContact O-N 3.1Å; D52-S55 PolarHBondContact O-OG 2.73Å; D52-T56 WeakPolarHBondContact O-CG2 3.45Å; D52-T56 PolarHBondContact O-N 3.48Å; D52-K577 IonicContact OD1-NZ 2.6Å; D52-K577 PolarHBondContact OD1-NZ 3.13Å |
| 53 | L | 79 | Confident | 73.2 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.4 | -175.3 | 64.9 | 0 | 0 | 0 | 112.4 | D49 L50 S55 T56 L57 N66 L69 L70 L73 | D49-L53 VanDerWaalsContact O-CB 3.25Å; D49-L53 WeakPolarHBondContact O-CB 3.3Å; D49-L53 PolarHBondContact O-N 2.84Å; L50-L53 PolarHBondContact O-N 2.86Å; L53-S55 VanDerWaalsContact C-N 3.25Å; L53-S55 PolarHBondContact O-N 3.2Å; L53-T56 PolarHBondContact O-N 2.92Å; L53-T56 VanDerWaalsContact O-N 3.14Å; L53-T56 PolarHBondContact O-OG1 2.85Å; L53-L57 PolarHBondContact O-N 3.11Å; L53-L57 VanDerWaalsContact O-N 3.08Å; L53-N66 HydrophobicContact CD1-CB 3.75Å; L53-L69 HydrophobicContact CD1-CD2 3.94Å; L53-L69 HydrophobicContact CD2-CB 3.86Å; L53-L69 HydrophobicContact CD2-CD2 4Å; L53-L69 HydrophobicContact CD2-CG 3.96Å; L53-L70 HydrophobicContact CD2-CB 3.86Å; L53-L70 HydrophobicContact CD2-CD1 4.32Å; L53-L73 HydrophobicContact CB-CD1 4.22Å; L53-L73 HydrophobicContact CD2-CD1 3.72Å |
| 54 | L | 77.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -33.7 | 177 | -75.8 | 171.9 | 0 | 0 | 0 | 112.1 | L50 V51 D52 L57 L58 L70 I88 F92 T101 L105 | L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 4.03Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 2.91Å; V51-L54 PolarHBondContact O-N 3Å; D52-L54 PolarHBondContact O-N 3.28Å; L54-L57 HydrophobicContact CD2-CD1 4.1Å; L54-L57 WeakPolarHBondContact O-CB 3.4Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-L58 PolarHBondContact O-N 2.84Å; L54-L70 HydrophobicContact CD1-CD1 4.46Å; L54-L70 HydrophobicContact CD2-CD1 3.51Å; L54-L70 HydrophobicContact CD2-CD2 4.1Å; L54-L70 HydrophobicContact CD2-CG 4.47Å; L54-L70 HydrophobicContact CG-CD1 3.82Å; L54-I88 HydrophobicContact CD1-CD1 3.99Å; L54-I88 HydrophobicContact CD1-CG2 3.65Å; L54-F92 HydrophobicContact CB-CE1 4.05Å; L54-F92 HydrophobicContact CB-CE2 4.36Å; L54-F92 HydrophobicContact CB-CZ 3.55Å; L54-T101 HydrophobicContact CD2-CG2 4.18Å; L54-L105 HydrophobicContact CD1-CD1 3.96Å; L54-L105 HydrophobicContact CD1-CD2 4.21Å; L54-L105 HydrophobicContact CD2-CD1 4.21Å; L54-L105 HydrophobicContact CD2-CD2 4.13Å; L54-L105 HydrophobicContact CD2-CG 4.48Å |
| 55 | S | 73.3 | Confident | 71.8 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 175.1 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | V51 D52 L53 L57 L58 Y611 | V51-S55 WeakPolarHBondContact O-CB 3.31Å; V51-S55 PolarHBondContact O-N 3.49Å; V51-S55 PolarHBondContact O-OG 3.47Å; D52-S55 WeakPolarHBondContact CA-OG 3.29Å; D52-S55 CarbonylContact O-C 3.52Å; D52-S55 WeakPolarHBondContact O-CA 3.47Å; D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 VanDerWaalsContact O-N 3.1Å; D52-S55 PolarHBondContact O-OG 2.73Å; L53-S55 VanDerWaalsContact C-N 3.25Å; L53-S55 PolarHBondContact O-N 3.2Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.03Å; S55-L58 WeakPolarHBondContact O-CB 3.34Å; S55-L58 VanDerWaalsContact O-CG 3.27Å; S55-L58 WeakPolarHBondContact O-CG 3.33Å; S55-L58 PolarHBondContact O-N 2.97Å; S55-Y611 WeakPolarHBondContact O-CD2 3.26Å; S55-Y611 WeakPolarHBondContact OG-CE2 3.48Å |
| 56 | T | 70.7 | Confident | 71.4 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -34.8 | 171.1 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | D52 L53 L58 I59 N60 I599 | D52-T56 WeakPolarHBondContact O-CG2 3.45Å; D52-T56 PolarHBondContact O-N 3.48Å; L53-T56 PolarHBondContact O-N 2.92Å; L53-T56 VanDerWaalsContact O-N 3.14Å; L53-T56 PolarHBondContact O-OG1 2.85Å; T56-L58 PolarHBondContact O-N 3.25Å; T56-I59 PolarHBondContact O-N 3.14Å; T56-N60 PolarHBondContact O-N 3.39Å; T56-I599 HydrophobicContact CG2-CD1 3.72Å; T56-I599 HydrophobicContact CG2-CG1 3.95Å |
| 57 | L | 68.1 | Low | 70.8 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -18.8 | 175.4 | -68.7 | 175.2 | 0 | 0 | 0 | 113.1 | L53 L54 S55 I59 N60 N66 L70 | L53-L57 PolarHBondContact O-N 3.11Å; L53-L57 VanDerWaalsContact O-N 3.08Å; L54-L57 HydrophobicContact CD2-CD1 4.1Å; L54-L57 WeakPolarHBondContact O-CB 3.4Å; L54-L57 PolarHBondContact O-N 3.25Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.03Å; L57-I59 PolarHBondContact O-N 3.12Å; L57-N60 WeakPolarHBondContact CD2-O 3.21Å; L57-N60 CarbonylContact O-C 3.57Å; L57-N66 HydrophobicContact CD2-CB 3.88Å; L57-L70 HydrophobicContact CD1-CD2 3.89Å |
| 58 | L | 62.8 | Low | 70.2 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30.4 | 171.1 | -52.8 | -178.4 | 0 | 0 | 0 | 112.1 | L54 S55 T56 F92 L96 I98 S607 | L54-L58 PolarHBondContact O-N 2.84Å; S55-L58 WeakPolarHBondContact O-CB 3.34Å; S55-L58 VanDerWaalsContact O-CG 3.27Å; S55-L58 WeakPolarHBondContact O-CG 3.33Å; S55-L58 PolarHBondContact O-N 2.97Å; T56-L58 PolarHBondContact O-N 3.25Å; L58-F92 HydrophobicContact CD1-CE1 4.33Å; L58-F92 HydrophobicContact CD2-CD1 3.73Å; L58-F92 HydrophobicContact CD2-CE1 3.29Å; L58-F92 HydrophobicContact CD2-CZ 4.24Å; L58-F92 HydrophobicContact CG-CE1 4.04Å; L58-L96 HydrophobicContact CD1-CD1 3.71Å; L58-I98 HydrophobicContact CB-CD1 4.27Å; L58-I98 HydrophobicContact CD1-CD1 3.87Å; L58-I98 HydrophobicContact CD2-CB 4.46Å; L58-I98 HydrophobicContact CD2-CD1 3.22Å; L58-I98 HydrophobicContact CD2-CG1 4.35Å; L58-I98 HydrophobicContact CD2-CG2 4Å; L58-I98 HydrophobicContact CG-CD1 3.94Å; L58-S607 WeakPolarHBondContact O-CB 3.3Å; L58-S607 PolarHBondContact O-OG 2.81Å |
| 59 | I | 60.4 | Low | 69.9 | Low | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -37.8 | -177.8 | -62.9 | 175.9 | 0 | 0 | 0 | 109.9 | T56 L57 I579 I599 S601 V608 Y611 | T56-I59 PolarHBondContact O-N 3.14Å; L57-I59 PolarHBondContact O-N 3.12Å; I59-I579 HydrophobicContact CD1-CG2 4.48Å; I59-I599 HydrophobicContact CB-CG2 3.97Å; I59-I599 HydrophobicContact CD1-CG2 3.73Å; I59-I599 HydrophobicContact CG1-CG2 4.42Å; I59-I599 HydrophobicContact CG2-CG2 3.96Å; I59-S601 WeakPolarHBondContact CG2-OG 3.4Å; I59-V608 HydrophobicContact CG1-CG2 4.43Å; I59-V608 HydrophobicContact CG2-CG2 4.24Å; I59-Y611 HydrophobicContact CD1-CD1 3.77Å; I59-Y611 HydrophobicContact CD1-CD2 3.73Å; I59-Y611 HydrophobicContact CD1-CE1 4.41Å; I59-Y611 HydrophobicContact CD1-CE2 4.34Å; I59-Y611 HydrophobicContact CD1-CG 3.41Å; I59-Y611 VanDerWaalsContact CD1-CG 3.41Å; I59-Y611 HydrophobicContact CG1-CD2 4.43Å; I59-Y611 HydrophobicContact CG1-CG 4.31Å |
| 60 | N | 60.1 | Low | 69.9 | Low | 39 Ų | 39 | 38 Ų | 38 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | trans | -126.7 | 84.9 | -175.1 | -163.1 | 6 | 0 | 0 | 0 | 112 | T56 L57 F62 | T56-N60 PolarHBondContact O-N 3.39Å; L57-N60 WeakPolarHBondContact CD2-O 3.21Å; L57-N60 CarbonylContact O-C 3.57Å; N60-F62 PolarHBondContact O-N 2.82Å; N60-F62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | E | 58.2 | Low | 69.6 | Low | 97 Ų | 97 | 38 Ų | 38 | 45% | 0.453 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.9 | -175.6 | -69 | -173.8 | 169.2 | 0 | 0 | 114.6 | R67 | E61-R67 PolarHBondContact O-NH2 2.96Š|
| 62 | F | 56 | Low | 69.6 | Low | 141 Ų | 141 | 40 Ų | 40 | 62% | 0.618 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 29.7 | -163.9 | -72.6 | -81.4 | 0 | 0 | 0 | 114.9 | N60 P64 | N60-F62 PolarHBondContact O-N 2.82Å; N60-F62 VanDerWaalsContact O-N 3.14Å; F62-P64 VanDerWaalsContact O-CD 3.24Å; F62-P64 WeakPolarHBondContact O-CD 3.4Å |
| 63 | D | 62.9 | Low | 69.9 | Low | 47 Ų | 47 | 38 Ų | 38 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -89 | 109.5 | 170.9 | -164.9 | -18.3 | 0 | 0 | 0 | 111.1 | A65 N66 R67 | D63-A65 PolarHBondContact O-N 2.86Å; D63-A65 WeakPolarHBondContact OD1-CB 3.48Å; D63-A65 PolarHBondContact OD1-N 3.15Å; D63-N66 HydrophobicContact CB-CB 4.02Å; D63-N66 PolarHBondContact O-N 3.48Å; D63-N66 PolarHBondContact OD2-ND2 3.41Å; D63-R67 PolarHBondContact O-N 2.92Å | ||
| 64 | P | 60.7 | Low | 70.2 | Confident | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -29 | 177.9 | 26.1 | -34 | 0 | 0 | 0 | 112.5 | F62 R67 K68 V211 | F62-P64 VanDerWaalsContact O-CD 3.24Å; F62-P64 WeakPolarHBondContact O-CD 3.4Å; P64-R67 PolarHBondContact O-N 3.47Å; P64-K68 PolarHBondContact O-N 2.97Å; P64-V211 HydrophobicContact CB-CG1 3.77Å |
| 65 | A | 66.1 | Low | 70.6 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D63 R67 K68 L69 | D63-A65 PolarHBondContact O-N 2.86Å; D63-A65 WeakPolarHBondContact OD1-CB 3.48Å; D63-A65 PolarHBondContact OD1-N 3.15Å; A65-R67 PolarHBondContact O-N 3.45Å; A65-K68 PolarHBondContact O-N 3.5Å; A65-L69 PolarHBondContact O-N 2.73Å |
| 66 | N | 68.8 | Low | 71.1 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -30.9 | 176.6 | -67.8 | -16.9 | 0 | 0 | 0 | 112.1 | L53 L57 D63 L70 | L53-N66 HydrophobicContact CD1-CB 3.75Å; L57-N66 HydrophobicContact CD2-CB 3.88Å; D63-N66 HydrophobicContact CB-CB 4.02Å; D63-N66 PolarHBondContact O-N 3.48Å; D63-N66 PolarHBondContact OD2-ND2 3.41Å; N66-L70 WeakPolarHBondContact O-CB 3.47Å; N66-L70 PolarHBondContact O-N 2.96Å |
| 67 | R | 71 | Confident | 71.9 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.6 | -36.2 | 176.4 | -69.6 | -162.6 | -170.3 | 153.8 | 5.7 | 113.8 | E61 D63 P64 A65 L70 G71 L210 V211 | E61-R67 PolarHBondContact O-NH2 2.96Å; D63-R67 PolarHBondContact O-N 2.92Å; P64-R67 PolarHBondContact O-N 3.47Å; A65-R67 PolarHBondContact O-N 3.45Å; R67-L70 WeakPolarHBondContact O-CB 3.19Å; R67-L70 PolarHBondContact O-N 3.19Å; R67-G71 PolarHBondContact O-N 2.96Å; R67-G71 VanDerWaalsContact O-N 3.15Å; R67-L210 HydrophobicContact CB-CB 4.4Å; R67-L210 WeakPolarHBondContact CD-O 3.38Å; R67-L210 PolarHBondContact NH1-O 3.1Å; R67-V211 PolarHBondContact NH1-O 2.74Å |
| 68 | K | 71.8 | Confident | 72.8 | Confident | 128 Ų | 128 | 42.1 Ų | 42.1 | 56% | 0.557 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.5 | -47.3 | 170.9 | -70.8 | -174.6 | 179.9 | -177.7 | 0 | 110.5 | P64 A65 L70 G71 V72 V211 | P64-K68 PolarHBondContact O-N 2.97Å; A65-K68 PolarHBondContact O-N 3.5Å; K68-L70 VanDerWaalsContact C-N 3.25Å; K68-L70 PolarHBondContact O-N 3.46Å; K68-G71 PolarHBondContact O-N 3.42Å; K68-G71 VanDerWaalsContact O-N 3.14Å; K68-V72 PolarHBondContact O-N 3.29Å; K68-V211 HydrophobicContact CD-CG2 4.25Å; K68-V211 HydrophobicContact CG-CG2 3.49Å; K68-V211 VanDerWaalsContact CG-CG2 3.49Å |
| 69 | L | 75.6 | Confident | 73.7 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.9 | -161.6 | 68.9 | 0 | 0 | 0 | 112 | I36 L53 A65 G71 V72 L73 | I36-L69 HydrophobicContact CD1-CD1 3.21Å; I36-L69 HydrophobicContact CD1-CG 3.95Å; I36-L69 HydrophobicContact CG1-CD1 3.74Å; L53-L69 HydrophobicContact CD1-CD2 3.94Å; L53-L69 HydrophobicContact CD2-CB 3.86Å; L53-L69 HydrophobicContact CD2-CD2 4Å; L53-L69 HydrophobicContact CD2-CG 3.96Å; A65-L69 PolarHBondContact O-N 2.73Å; L69-G71 VanDerWaalsContact C-N 3.33Å; L69-G71 PolarHBondContact O-N 3.18Å; L69-V72 PolarHBondContact O-N 3.43Å; L69-L73 HydrophobicContact CG-CD1 4.4Å; L69-L73 WeakPolarHBondContact O-CG 3.44Å; L69-L73 PolarHBondContact O-N 2.9Å |
| 70 | L | 80.4 | Confident | 74.9 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.9 | 179.2 | 65.1 | 0 | 0 | 0 | 111.3 | L50 L53 L54 L57 N66 R67 K68 L73 I74 | L50-L70 HydrophobicContact CD1-CD1 3.62Å; L53-L70 HydrophobicContact CD2-CB 3.86Å; L53-L70 HydrophobicContact CD2-CD1 4.32Å; L54-L70 HydrophobicContact CD1-CD1 4.46Å; L54-L70 HydrophobicContact CD2-CD1 3.51Å; L54-L70 HydrophobicContact CD2-CD2 4.1Å; L54-L70 HydrophobicContact CD2-CG 4.47Å; L54-L70 HydrophobicContact CG-CD1 3.82Å; L57-L70 HydrophobicContact CD1-CD2 3.89Å; N66-L70 WeakPolarHBondContact O-CB 3.47Å; N66-L70 PolarHBondContact O-N 2.96Å; R67-L70 WeakPolarHBondContact O-CB 3.19Å; R67-L70 PolarHBondContact O-N 3.19Å; K68-L70 VanDerWaalsContact C-N 3.25Å; K68-L70 PolarHBondContact O-N 3.46Å; L70-L73 PolarHBondContact O-N 3.42Å; L70-I74 HydrophobicContact CD1-CD1 3.78Å; L70-I74 HydrophobicContact CD1-CG1 4.02Å; L70-I74 HydrophobicContact CD2-CD1 4.37Å; L70-I74 HydrophobicContact CG-CD1 3.73Å; L70-I74 HydrophobicContact CG-CG1 4.32Å; L70-I74 WeakPolarHBondContact O-CB 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.38Å |
| 71 | G | 79.5 | Confident | 76.3 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.9 | -50.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R67 K68 L69 L73 I74 D75 | R67-G71 PolarHBondContact O-N 2.96Å; R67-G71 VanDerWaalsContact O-N 3.15Å; K68-G71 PolarHBondContact O-N 3.42Å; K68-G71 VanDerWaalsContact O-N 3.14Å; L69-G71 VanDerWaalsContact C-N 3.33Å; L69-G71 PolarHBondContact O-N 3.18Å; G71-L73 PolarHBondContact O-N 2.94Å; G71-I74 PolarHBondContact O-N 2.96Å; G71-D75 VanDerWaalsContact O-CG 3.3Å; G71-D75 PolarHBondContact O-N 3.45Å |
| 72 | V | 81.7 | Confident | 77.8 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | K68 L69 D75 K76 | K68-V72 PolarHBondContact O-N 3.29Å; L69-V72 PolarHBondContact O-N 3.43Å; V72-D75 PolarHBondContact O-N 2.91Å; V72-K76 HydrophobicContact CG1-CD 4.48Å; V72-K76 WeakPolarHBondContact O-CG 3.41Å; V72-K76 PolarHBondContact O-N 3.09Å; V72-K76 VanDerWaalsContact O-N 3.11Å |
| 73 | L | 83.4 | Confident | 79.5 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 178.8 | -71.6 | 177.6 | 0 | 0 | 0 | 112.1 | I36 L46 D49 L50 L53 L69 L70 G71 C77 | I36-L73 HydrophobicContact CD1-CD2 3.75Å; I36-L73 HydrophobicContact CD1-CG 4.06Å; L46-L73 HydrophobicContact CD2-CD2 4.41Å; D49-L73 HydrophobicContact CB-CD1 4.38Å; D49-L73 HydrophobicContact CB-CD2 4.46Å; L50-L73 HydrophobicContact CB-CB 4.36Å; L50-L73 HydrophobicContact CD1-CB 3.88Å; L53-L73 HydrophobicContact CB-CD1 4.22Å; L53-L73 HydrophobicContact CD2-CD1 3.72Å; L69-L73 HydrophobicContact CG-CD1 4.4Å; L69-L73 WeakPolarHBondContact O-CG 3.44Å; L69-L73 PolarHBondContact O-N 2.9Å; L70-L73 PolarHBondContact O-N 3.42Å; G71-L73 PolarHBondContact O-N 2.94Å; L73-C77 VanDerWaalsContact O-CB 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.29Å; L73-C77 PolarHBondContact O-N 3.05Å; L73-C77 PolarHBondContact O-SG 2.9Å |
| 74 | I | 85.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 174.1 | -70.7 | 174 | 0 | 0 | 0 | 110.2 | L50 L70 G71 K76 C77 V78 I85 L105 I108 Y112 | L50-I74 HydrophobicContact CD1-CG1 3.96Å; L70-I74 HydrophobicContact CD1-CD1 3.78Å; L70-I74 HydrophobicContact CD1-CG1 4.02Å; L70-I74 HydrophobicContact CD2-CD1 4.37Å; L70-I74 HydrophobicContact CG-CD1 3.73Å; L70-I74 HydrophobicContact CG-CG1 4.32Å; L70-I74 WeakPolarHBondContact O-CB 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.38Å; G71-I74 PolarHBondContact O-N 2.96Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 3Å; I74-C77 PolarHBondContact O-N 3.21Å; I74-V78 HydrophobicContact CG2-CG2 3.97Å; I74-V78 WeakPolarHBondContact O-CB 3.46Å; I74-V78 VanDerWaalsContact O-CG2 3.23Å; I74-V78 WeakPolarHBondContact O-CG2 3.35Å; I74-V78 PolarHBondContact O-N 2.99Å; I74-I85 HydrophobicContact CG1-CD1 4.23Å; I74-I85 HydrophobicContact CG2-CD1 4.22Å; I74-L105 HydrophobicContact CD1-CD2 3.97Å; I74-I108 HydrophobicContact CD1-CD1 4.01Å; I74-I108 HydrophobicContact CD1-CG2 3.99Å; I74-I108 HydrophobicContact CG2-CG2 3.97Å; I74-Y112 HydrophobicContact CG2-CE2 3.84Å |
| 75 | D | 85.3 | Confident | 82.4 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.9 | -51.7 | 177.8 | -71.9 | -36.1 | 0 | 0 | 0 | 110.6 | G71 V72 C77 V78 E79 Y112 Q207 | G71-D75 VanDerWaalsContact O-CG 3.3Å; G71-D75 PolarHBondContact O-N 3.45Å; V72-D75 PolarHBondContact O-N 2.91Å; D75-C77 PolarHBondContact O-N 3.25Å; D75-V78 PolarHBondContact O-N 2.89Å; D75-E79 PolarHBondContact O-N 2.93Å; D75-Y112 WeakPolarHBondContact OD1-CE1 3.35Å; D75-Y112 PolarHBondContact OD1-OH 3.26Å; D75-Q207 PolarHBondContact OD2-NE2 2.81Å |
| 76 | K | 84.6 | Confident | 83.7 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.8 | -70.7 | -176.7 | 176.7 | -171.1 | 0 | 113.7 | L46 V72 I74 | L46-K76 HydrophobicContact CD2-CB 4.33Å; L46-K76 HydrophobicContact CD2-CD 4.09Å; V72-K76 HydrophobicContact CG1-CD 4.48Å; V72-K76 WeakPolarHBondContact O-CG 3.41Å; V72-K76 PolarHBondContact O-N 3.09Å; V72-K76 VanDerWaalsContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 3Å |
| 77 | C | 86.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -39.1 | 177.5 | -82.8 | 0 | 0 | 0 | 0 | 111.7 | L50 L73 I74 D75 E79 K80 D81 I85 | L50-C77 HydrophobicContact CD2-CB 4.05Å; L73-C77 VanDerWaalsContact O-CB 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.29Å; L73-C77 PolarHBondContact O-N 3.05Å; L73-C77 PolarHBondContact O-SG 2.9Å; I74-C77 PolarHBondContact O-N 3.21Å; D75-C77 PolarHBondContact O-N 3.25Å; C77-E79 VanDerWaalsContact C-N 3.31Å; C77-E79 PolarHBondContact O-N 3.14Å; C77-K80 PolarHBondContact O-N 2.99Å; C77-D81 CarbonylContact O-C 3.58Å; C77-D81 PolarHBondContact O-N 3.03Å; C77-I85 HydrophobicContact CB-CD1 4.03Å |
| 78 | V | 86.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 179.9 | 169 | 0 | 0 | 0 | 0 | 112 | I74 D75 K80 P82 I85 Y112 Q114 | I74-V78 HydrophobicContact CG2-CG2 3.97Å; I74-V78 WeakPolarHBondContact O-CB 3.46Å; I74-V78 VanDerWaalsContact O-CG2 3.23Å; I74-V78 WeakPolarHBondContact O-CG2 3.35Å; I74-V78 PolarHBondContact O-N 2.99Å; D75-V78 PolarHBondContact O-N 2.89Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 2.99Å; V78-P82 HydrophobicContact CG1-CB 4.31Å; V78-P82 WeakPolarHBondContact O-CD 3.43Å; V78-I85 HydrophobicContact CG2-CD1 4.47Å; V78-I85 HydrophobicContact CG2-CG1 3.81Å; V78-Y112 HydrophobicContact CB-CD1 4.29Å; V78-Y112 HydrophobicContact CB-CG 4.43Å; V78-Y112 HydrophobicContact CG1-CD1 3.73Å; V78-Y112 HydrophobicContact CG1-CE1 4.5Å; V78-Y112 HydrophobicContact CG1-CG 3.8Å; V78-Y112 HydrophobicContact CG2-CD1 4.36Å; V78-Y112 HydrophobicContact CG2-CD2 4.15Å; V78-Y112 HydrophobicContact CG2-CE2 4.43Å; V78-Y112 HydrophobicContact CG2-CG 4.12Å; V78-Q114 HydrophobicContact CG1-CB 4.31Å |
| 79 | E | 83.6 | Confident | 86.6 | Confident | 156 Ų | 156 | 28 Ų | 28 | 73% | 0.729 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -60.9 | -34.7 | 174.8 | -74.6 | 175.7 | -179.5 | 0 | 0 | 113 | D75 C77 | D75-E79 PolarHBondContact O-N 2.93Å; C77-E79 VanDerWaalsContact C-N 3.31Å; C77-E79 PolarHBondContact O-N 3.14Å |
| 80 | K | 85 | Confident | 87.3 | Confident | 93 Ų | 93 | 26 Ų | 26 | 40% | 0.404 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -97.6 | -43.6 | -177.7 | -65.2 | -159.6 | 176.2 | -166.6 | 0 | 114 | Y43 L46 C77 V78 | Y43-K80 HydrophobicContact CD2-CB 3.99Å; Y43-K80 HydrophobicContact CD2-CD 3.87Å; Y43-K80 HydrophobicContact CE2-CB 3.78Å; L46-K80 HydrophobicContact CD1-CD 4.49Å; C77-K80 PolarHBondContact O-N 2.99Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 2.99Å |
| 81 | D | 88.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 26.4 Ų | 26.4 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | trans | -147.5 | 88.7 | -179.2 | -179.9 | -2.3 | 0 | 0 | 0 | 111 | Y43 K47 C77 E83 F84 | Y43-D81 HydrophobicContact CE2-CB 4.11Å; Y43-D81 WeakPolarHBondContact OH-CB 3.5Å; Y43-D81 VanDerWaalsContact OH-CG 3.23Å; Y43-D81 PolarHBondContact OH-OD2 3.03Å; K47-D81 IonicContact NZ-OD2 3.59Å; K47-D81 PolarHBondContact NZ-OD2 3.05Å; C77-D81 CarbonylContact O-C 3.58Å; C77-D81 PolarHBondContact O-N 3.03Å; D81-E83 PolarHBondContact O-N 3.34Å; D81-E83 PolarHBondContact OD1-N 3.3Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; D81-F84 HydrophobicContact CB-CB 4.31Å; D81-F84 PolarHBondContact O-N 3Å; D81-F84 PolarHBondContact OD1-N 3.04Å; D81-F84 VanDerWaalsContact OD1-N 3.15Å | ||
| 82 | P | 89.2 | Confident | 87.8 | Confident | 26 Ų | 26 | 26.5 Ų | 26.5 | 17% | 0.169 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.4 | -180 | 27.1 | -36.5 | 0 | 0 | 0 | 113.8 | V78 Q114 C115 F118 | V78-P82 HydrophobicContact CG1-CB 4.31Å; V78-P82 WeakPolarHBondContact O-CD 3.43Å; P82-Q114 HydrophobicContact CB-CB 3.72Å; P82-Q114 HydrophobicContact CG-CB 4.01Å; P82-C115 PolarHBondContact O-SG 3.38Å; P82-F118 HydrophobicContact CB-CE2 4.29Å; P82-F118 HydrophobicContact CG-CD2 4.49Å; P82-F118 HydrophobicContact CG-CE2 3.76Å |
| 83 | E | 92.4 | Very high | 88 | Confident | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.14 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33 | -179.8 | -170.4 | 172.2 | -173.6 | 0 | 0 | 111.4 | D81 I85 L86 K87 F118 K121 Y122 | D81-E83 PolarHBondContact O-N 3.34Å; D81-E83 PolarHBondContact OD1-N 3.3Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-I85 VanDerWaalsContact C-N 3.25Å; E83-I85 PolarHBondContact O-N 3.44Å; E83-I85 VanDerWaalsContact O-N 3.15Å; E83-L86 PolarHBondContact O-N 3.36Å; E83-K87 HydrophobicContact CG-CG 4.44Å; E83-K87 PolarHBondContact O-N 3.41Å; E83-K87 VanDerWaalsContact O-N 3.15Å; E83-F118 HydrophobicContact CB-CD1 3.88Å; E83-F118 HydrophobicContact CB-CD2 4.04Å; E83-F118 HydrophobicContact CB-CE1 3.95Å; E83-F118 HydrophobicContact CB-CE2 4.14Å; E83-F118 HydrophobicContact CB-CG 3.92Å; E83-F118 HydrophobicContact CB-CZ 4.09Å; E83-F118 VanDerWaalsContact CD-CD1 3.49Å; E83-F118 HydrophobicContact CG-CB 4.28Å; E83-F118 HydrophobicContact CG-CD1 3.64Å; E83-F118 HydrophobicContact CG-CD2 4.49Å; E83-F118 HydrophobicContact CG-CE1 4.07Å; E83-F118 HydrophobicContact CG-CG 3.87Å; E83-F118 WeakPolarHBondContact OE2-CE1 3.43Å; E83-K121 IonicContact OE1-NZ 2.81Å; E83-K121 PolarHBondContact OE1-NZ 3.04Å; E83-Y122 HydrophobicContact CG-CE2 3.66Å; E83-Y122 WeakPolarHBondContact OE1-CE2 3.25Å; E83-Y122 VanDerWaalsContact OE1-CZ 3.27Å; E83-Y122 PolarHBondContact OE1-OH 2.65Å |
| 84 | F | 93.2 | Very high | 88 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.1 | -37.4 | -177.1 | -169.2 | -119.5 | 0 | 0 | 0 | 113.9 | K47 L50 V51 D81 L86 K87 I88 V621 I624 D625 | K47-F84 HydrophobicContact CB-CD1 4.5Å; K47-F84 HydrophobicContact CB-CE1 3.66Å; K47-F84 HydrophobicContact CB-CZ 3.75Å; K47-F84 HydrophobicContact CD-CD1 4.09Å; K47-F84 HydrophobicContact CD-CD2 3.96Å; K47-F84 HydrophobicContact CD-CE1 3.82Å; K47-F84 HydrophobicContact CD-CE2 3.67Å; K47-F84 HydrophobicContact CD-CG 4.17Å; K47-F84 HydrophobicContact CD-CZ 3.61Å; K47-F84 HydrophobicContact CG-CD1 3.84Å; K47-F84 HydrophobicContact CG-CE1 3.46Å; K47-F84 VanDerWaalsContact CG-CE1 3.46Å; K47-F84 HydrophobicContact CG-CE2 4.28Å; K47-F84 HydrophobicContact CG-CG 4.4Å; K47-F84 HydrophobicContact CG-CZ 3.73Å; L50-F84 HydrophobicContact CD2-CD1 4.44Å; V51-F84 HydrophobicContact CG2-CE1 4.26Å; V51-F84 HydrophobicContact CG2-CZ 4.03Å; D81-F84 HydrophobicContact CB-CB 4.31Å; D81-F84 PolarHBondContact O-N 3Å; D81-F84 PolarHBondContact OD1-N 3.04Å; D81-F84 VanDerWaalsContact OD1-N 3.15Å; F84-L86 PolarHBondContact O-N 3.48Å; F84-K87 WeakPolarHBondContact O-CB 3.33Å; F84-K87 PolarHBondContact O-N 3.12Å; F84-K87 VanDerWaalsContact O-N 3.09Å; F84-I88 HydrophobicContact CD1-CD1 3.71Å; F84-I88 HydrophobicContact CD1-CG1 4.11Å; F84-I88 HydrophobicContact CE1-CD1 3.51Å; F84-I88 HydrophobicContact CE1-CG1 3.88Å; F84-I88 HydrophobicContact CE2-CG1 4.49Å; F84-I88 HydrophobicContact CZ-CD1 4.18Å; F84-I88 HydrophobicContact CZ-CG1 4.07Å; F84-I88 WeakPolarHBondContact O-CG1 3.48Å; F84-I88 PolarHBondContact O-N 3.29Å; F84-V621 HydrophobicContact CZ-CG1 4.4Å; F84-I624 HydrophobicContact CD2-CG2 4.03Å; F84-I624 HydrophobicContact CE2-CB 4.03Å; F84-I624 HydrophobicContact CE2-CG2 3.43Å; F84-I624 VanDerWaalsContact CE2-CG2 3.43Å; F84-I624 HydrophobicContact CZ-CB 4.47Å; F84-I624 HydrophobicContact CZ-CG2 3.98Å; F84-D625 WeakPolarHBondContact CD2-OD1 3.29Å; F84-D625 WeakPolarHBondContact CE2-OD1 3.26Å |
| 85 | I | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -38.9 | 178.2 | -55.5 | -55.7 | 0 | 0 | 0 | 111.6 | L50 I74 C77 V78 E83 S89 L105 A109 | L50-I85 HydrophobicContact CD2-CD1 3.63Å; I74-I85 HydrophobicContact CG1-CD1 4.23Å; I74-I85 HydrophobicContact CG2-CD1 4.22Å; C77-I85 HydrophobicContact CB-CD1 4.03Å; V78-I85 HydrophobicContact CG2-CD1 4.47Å; V78-I85 HydrophobicContact CG2-CG1 3.81Å; E83-I85 VanDerWaalsContact C-N 3.25Å; E83-I85 PolarHBondContact O-N 3.44Å; E83-I85 VanDerWaalsContact O-N 3.15Å; I85-S89 PolarHBondContact O-N 3.32Å; I85-S89 VanDerWaalsContact O-N 3.11Å; I85-S89 PolarHBondContact O-OG 3.5Å; I85-L105 HydrophobicContact CG2-CD2 4.37Å; I85-A109 HydrophobicContact CG2-CB 4.16Å |
| 86 | L | 93.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.4 | -31.5 | 177.5 | -67.7 | 172.2 | 0 | 0 | 0 | 112.1 | E83 F84 S89 L90 V106 A109 F118 I119 Y122 | E83-L86 PolarHBondContact O-N 3.36Å; F84-L86 PolarHBondContact O-N 3.48Å; L86-S89 WeakPolarHBondContact O-CB 3.31Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-L90 PolarHBondContact O-N 2.86Å; L86-V106 HydrophobicContact CD2-CG2 4.17Å; L86-A109 HydrophobicContact CD2-CB 3.86Å; L86-A109 HydrophobicContact CG-CB 4.2Å; L86-F118 HydrophobicContact CD1-CB 3.62Å; L86-I119 HydrophobicContact CD1-CG1 4.25Å; L86-Y122 HydrophobicContact CB-CD1 4.36Å; L86-Y122 HydrophobicContact CB-CD2 3.62Å; L86-Y122 HydrophobicContact CB-CE2 4.2Å; L86-Y122 HydrophobicContact CB-CG 3.72Å; L86-Y122 HydrophobicContact CD1-CD2 3.87Å; L86-Y122 HydrophobicContact CD1-CG 4.47Å; L86-Y122 HydrophobicContact CG-CD2 4.39Å |
| 87 | K | 93 | Very high | 86.2 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 170.4 | -67.5 | -171.2 | 175.9 | -165.2 | 0 | 111.4 | E83 F84 S89 L90 Y91 Y122 I624 D625 I627 D628 | E83-K87 HydrophobicContact CG-CG 4.44Å; E83-K87 PolarHBondContact O-N 3.41Å; E83-K87 VanDerWaalsContact O-N 3.15Å; F84-K87 WeakPolarHBondContact O-CB 3.33Å; F84-K87 PolarHBondContact O-N 3.12Å; F84-K87 VanDerWaalsContact O-N 3.09Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 PolarHBondContact O-N 3.37Å; K87-L90 PolarHBondContact O-N 2.92Å; K87-Y91 PolarHBondContact O-N 3.22Å; K87-Y122 WeakPolarHBondContact CE-OH 3.5Å; K87-Y122 HydrophobicContact CG-CE1 4.01Å; K87-Y122 WeakPolarHBondContact CG-OH 3.47Å; K87-I624 HydrophobicContact CB-CG2 3.86Å; K87-D625 PolarHBondContact NZ-O 3.13Å; K87-I627 HydrophobicContact CB-CG2 3.75Å; K87-I627 HydrophobicContact CD-CG2 4.35Å; K87-I627 HydrophobicContact CG-CG2 3.93Å; K87-D628 WeakPolarHBondContact CE-OD1 3.34Å; K87-D628 WeakPolarHBondContact CE-OD2 3.37Å; K87-D628 VanDerWaalsContact NZ-CG 3.32Å; K87-D628 IonicContact NZ-OD1 2.71Å; K87-D628 PolarHBondContact NZ-OD1 3.03Å; K87-D628 IonicContact NZ-OD2 2.97Å; K87-D628 PolarHBondContact NZ-OD2 2.7Å |
| 88 | I | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 173.6 | -59.5 | 169.7 | 0 | 0 | 0 | 110.6 | L50 V51 L54 F84 L90 Y91 F92 L105 I624 | L50-I88 HydrophobicContact CD2-CD1 3.58Å; L50-I88 HydrophobicContact CG-CD1 3.99Å; V51-I88 HydrophobicContact CG2-CD1 4.25Å; V51-I88 HydrophobicContact CG2-CG1 4.4Å; L54-I88 HydrophobicContact CD1-CD1 3.99Å; L54-I88 HydrophobicContact CD1-CG2 3.65Å; F84-I88 HydrophobicContact CD1-CD1 3.71Å; F84-I88 HydrophobicContact CD1-CG1 4.11Å; F84-I88 HydrophobicContact CE1-CD1 3.51Å; F84-I88 HydrophobicContact CE1-CG1 3.88Å; F84-I88 HydrophobicContact CE2-CG1 4.49Å; F84-I88 HydrophobicContact CZ-CD1 4.18Å; F84-I88 HydrophobicContact CZ-CG1 4.07Å; F84-I88 WeakPolarHBondContact O-CG1 3.48Å; F84-I88 PolarHBondContact O-N 3.29Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 3.48Å; I88-Y91 WeakPolarHBondContact O-CB 3.42Å; I88-Y91 PolarHBondContact O-N 3Å; I88-Y91 VanDerWaalsContact O-N 3.14Å; I88-F92 HydrophobicContact CG2-CD2 3.53Å; I88-F92 HydrophobicContact CG2-CE2 3.5Å; I88-F92 VanDerWaalsContact CG2-CE2 3.5Å; I88-F92 HydrophobicContact CG2-CG 4.48Å; I88-F92 HydrophobicContact CG2-CZ 4.4Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.25Å; I88-F92 PolarHBondContact O-N 3.49Å; I88-L105 HydrophobicContact CG2-CD1 3.98Å; I88-I624 HydrophobicContact CG1-CG2 3.9Å |
| 89 | S | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -44.3 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | I85 L86 K87 F92 H93 A102 L105 | I85-S89 PolarHBondContact O-N 3.32Å; I85-S89 VanDerWaalsContact O-N 3.11Å; I85-S89 PolarHBondContact O-OG 3.5Å; L86-S89 WeakPolarHBondContact O-CB 3.31Å; L86-S89 PolarHBondContact O-N 3.42Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 PolarHBondContact O-N 3.37Å; S89-F92 PolarHBondContact O-N 3.47Å; S89-H93 WeakPolarHBondContact O-CB 3.4Å; S89-H93 PolarHBondContact O-N 3.2Å; S89-A102 VanDerWaalsContact O-CB 3.28Å; S89-A102 WeakPolarHBondContact O-CB 3.38Å; S89-L105 WeakPolarHBondContact OG-CB 3.31Å |
| 90 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177 | -174.3 | 65.1 | 0 | 0 | 0 | 111.7 | L86 K87 I88 H93 K94 Y122 A125 I627 Y631 L633 | L86-L90 PolarHBondContact O-N 2.86Å; K87-L90 PolarHBondContact O-N 2.92Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 3.48Å; L90-H93 PolarHBondContact O-N 3.09Å; L90-K94 HydrophobicContact CD1-CG 3.66Å; L90-K94 HydrophobicContact CG-CG 4.22Å; L90-K94 WeakPolarHBondContact O-CB 3.16Å; L90-K94 PolarHBondContact O-N 3.23Å; L90-Y122 HydrophobicContact CB-CD1 4.33Å; L90-Y122 HydrophobicContact CD2-CD1 4.07Å; L90-Y122 HydrophobicContact CD2-CE1 4.24Å; L90-A125 HydrophobicContact CD1-CB 3.66Å; L90-I627 HydrophobicContact CB-CD1 4.24Å; L90-I627 HydrophobicContact CD2-CD1 4.28Å; L90-I627 HydrophobicContact CD2-CG1 4.1Å; L90-I627 HydrophobicContact CD2-CG2 4.16Å; L90-I627 HydrophobicContact CG-CD1 4.08Å; L90-I627 HydrophobicContact CG-CG1 4.42Å; L90-Y631 HydrophobicContact CD2-CD2 3.98Å; L90-Y631 HydrophobicContact CD2-CG 4.49Å; L90-L633 HydrophobicContact CD2-CD1 3.69Å |
| 91 | Y | 87.6 | Confident | 84.9 | Confident | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -49.9 | 176.3 | -175.9 | -87.5 | 0 | 0 | 0 | 111.3 | K87 I88 H93 K94 L95 L96 L614 L620 I624 I627 | K87-Y91 PolarHBondContact O-N 3.22Å; I88-Y91 WeakPolarHBondContact O-CB 3.42Å; I88-Y91 PolarHBondContact O-N 3Å; I88-Y91 VanDerWaalsContact O-N 3.14Å; Y91-H93 VanDerWaalsContact C-N 3.3Å; Y91-H93 PolarHBondContact O-N 3.15Å; Y91-K94 PolarHBondContact O-N 2.92Å; Y91-L95 HydrophobicContact CD2-CB 4.43Å; Y91-L95 HydrophobicContact CD2-CD1 3.36Å; Y91-L95 HydrophobicContact CD2-CG 4.46Å; Y91-L95 HydrophobicContact CE2-CB 4.34Å; Y91-L95 HydrophobicContact CE2-CD1 3.38Å; Y91-L95 HydrophobicContact CE2-CG 4.49Å; Y91-L95 HydrophobicContact CG-CD1 4.21Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 PolarHBondContact O-N 3.48Å; Y91-L96 HydrophobicContact CD1-CD1 4.02Å; Y91-L96 HydrophobicContact CD1-CG 4.02Å; Y91-L96 HydrophobicContact CE1-CD1 3.76Å; Y91-L96 HydrophobicContact CE1-CD2 3.94Å; Y91-L96 HydrophobicContact CE1-CG 3.69Å; Y91-L96 PolarHBondContact O-N 3.25Å; Y91-L614 HydrophobicContact CE1-CD2 4.32Å; Y91-L620 VanDerWaalsContact OH-CD2 3.27Å; Y91-L620 WeakPolarHBondContact OH-CD2 3.48Å; Y91-I624 HydrophobicContact CD1-CD1 4.46Å; Y91-I624 HydrophobicContact CD1-CG1 4.36Å; Y91-I624 HydrophobicContact CD2-CD1 4.49Å; Y91-I624 HydrophobicContact CD2-CG1 3.6Å; Y91-I624 HydrophobicContact CE2-CG1 4.12Å; Y91-I624 HydrophobicContact CG-CD1 4.33Å; Y91-I624 HydrophobicContact CG-CG1 3.77Å; Y91-I627 HydrophobicContact CD2-CD1 4.05Å; Y91-I627 HydrophobicContact CG-CD1 4.31Å |
| 92 | F | 82.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 179.3 | -85.5 | -123.7 | 0 | 0 | 0 | 111.3 | L54 L58 I88 S89 L96 N97 I98 T101 A102 | L54-F92 HydrophobicContact CB-CE1 4.05Å; L54-F92 HydrophobicContact CB-CE2 4.36Å; L54-F92 HydrophobicContact CB-CZ 3.55Å; L58-F92 HydrophobicContact CD1-CE1 4.33Å; L58-F92 HydrophobicContact CD2-CD1 3.73Å; L58-F92 HydrophobicContact CD2-CE1 3.29Å; L58-F92 HydrophobicContact CD2-CZ 4.24Å; L58-F92 HydrophobicContact CG-CE1 4.04Å; I88-F92 HydrophobicContact CG2-CD2 3.53Å; I88-F92 HydrophobicContact CG2-CE2 3.5Å; I88-F92 VanDerWaalsContact CG2-CE2 3.5Å; I88-F92 HydrophobicContact CG2-CG 4.48Å; I88-F92 HydrophobicContact CG2-CZ 4.4Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.25Å; I88-F92 PolarHBondContact O-N 3.49Å; S89-F92 PolarHBondContact O-N 3.47Å; F92-L96 HydrophobicContact CD1-CD1 4.34Å; F92-L96 HydrophobicContact CD2-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 4.43Å; F92-L96 HydrophobicContact CE2-CD1 4.13Å; F92-L96 HydrophobicContact CG-CD1 4.17Å; F92-L96 HydrophobicContact CZ-CD1 4.29Å; F92-L96 CarbonylContact O-C 3.15Å; F92-N97 PolarHBondContact O-N 3.09Å; F92-I98 PolarHBondContact O-N 3.28Å; F92-T101 HydrophobicContact CD1-CG2 3.84Å; F92-T101 HydrophobicContact CE1-CG2 3.99Å; F92-A102 HydrophobicContact CB-CB 4.21Å |
| 93 | H | 85.6 | Confident | 84.8 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.7 | -49.8 | 178.4 | -171.9 | 83 | 0 | 0 | 0 | 113 | S89 L90 Y91 N97 A102 C126 C128 | S89-H93 WeakPolarHBondContact O-CB 3.4Å; S89-H93 PolarHBondContact O-N 3.2Å; L90-H93 PolarHBondContact O-N 3.09Å; Y91-H93 VanDerWaalsContact C-N 3.3Å; Y91-H93 PolarHBondContact O-N 3.15Å; H93-N97 VanDerWaalsContact O-CA 3.26Å; H93-N97 WeakPolarHBondContact O-CA 3.37Å; H93-N97 PolarHBondContact O-N 3.43Å; H93-A102 HydrophobicContact CB-CB 3.84Å; H93-C126 PolarHBondContact CD2-O 3Å; H93-C126 VanDerWaalsContact CD2-O 3.3Å; H93-C126 PolarHBondContact CE1-O 3.45Å; H93-C126 VanDerWaalsContact CG-O 3.23Å; H93-C126 PolarHBondContact ND1-O 3.11Å; H93-C126 PolarHBondContact NE2-O 3.21Å; H93-C128 PolarHBondContact NE2-SG 2.95Å |
| 94 | K | 82.9 | Confident | 84.5 | Confident | 76 Ų | 76 | 31.8 Ų | 31.8 | 33% | 0.33 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -85.6 | -45.8 | -169.8 | -67.1 | -68.4 | -174.8 | -168.2 | 0 | 113.6 | L90 Y91 A125 C128 Y631 | L90-K94 HydrophobicContact CD1-CG 3.66Å; L90-K94 HydrophobicContact CG-CG 4.22Å; L90-K94 WeakPolarHBondContact O-CB 3.16Å; L90-K94 PolarHBondContact O-N 3.23Å; Y91-K94 PolarHBondContact O-N 2.92Å; K94-A125 WeakPolarHBondContact CE-O 3.44Å; K94-A125 PolarHBondContact NZ-O 3.04Å; K94-A125 VanDerWaalsContact NZ-O 3.08Å; K94-C128 PolarHBondContact NZ-SG 3.33Å; K94-C128 VanDerWaalsContact NZ-SG 3.4Å; K94-Y631 HydrophobicContact CB-CE1 4.41Å; K94-Y631 HydrophobicContact CB-CE2 4.19Å; K94-Y631 VanDerWaalsContact CB-OH 3.3Å; K94-Y631 WeakPolarHBondContact CB-OH 3.42Å; K94-Y631 HydrophobicContact CD-CE1 4.29Å; K94-Y631 HydrophobicContact CG-CE1 4.2Å; K94-Y631 HydrophobicContact CG-CE2 4.31Å |
| 95 | L | 76.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 31.8 Ų | 31.8 | 53% | 0.529 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -42 | -173.9 | -68.9 | 167.4 | 0 | 0 | 0 | 111.2 | Y91 I627 | Y91-L95 HydrophobicContact CD2-CB 4.43Å; Y91-L95 HydrophobicContact CD2-CD1 3.36Å; Y91-L95 HydrophobicContact CD2-CG 4.46Å; Y91-L95 HydrophobicContact CE2-CB 4.34Å; Y91-L95 HydrophobicContact CE2-CD1 3.38Å; Y91-L95 HydrophobicContact CE2-CG 4.49Å; Y91-L95 HydrophobicContact CG-CD1 4.21Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 PolarHBondContact O-N 3.48Å; L95-I627 HydrophobicContact CD1-CD1 4.27Å |
| 96 | L | 71.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -89.2 | -17.7 | 179.2 | -53.3 | -176.4 | 0 | 0 | 0 | 113.6 | L58 Y91 F92 I98 K610 L614 | L58-L96 HydrophobicContact CD1-CD1 3.71Å; Y91-L96 HydrophobicContact CD1-CD1 4.02Å; Y91-L96 HydrophobicContact CD1-CG 4.02Å; Y91-L96 HydrophobicContact CE1-CD1 3.76Å; Y91-L96 HydrophobicContact CE1-CD2 3.94Å; Y91-L96 HydrophobicContact CE1-CG 3.69Å; Y91-L96 PolarHBondContact O-N 3.25Å; F92-L96 HydrophobicContact CD1-CD1 4.34Å; F92-L96 HydrophobicContact CD2-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 4.43Å; F92-L96 HydrophobicContact CE2-CD1 4.13Å; F92-L96 HydrophobicContact CG-CD1 4.17Å; F92-L96 HydrophobicContact CZ-CD1 4.29Å; F92-L96 CarbonylContact O-C 3.15Å; L96-I98 VanDerWaalsContact C-N 3.33Å; L96-I98 HydrophobicContact CB-CB 4.48Å; L96-I98 HydrophobicContact CB-CD1 3.76Å; L96-I98 HydrophobicContact CB-CG1 3.82Å; L96-I98 HydrophobicContact CD1-CD1 4.37Å; L96-I98 WeakPolarHBondContact O-CG1 3.24Å; L96-K610 PolarHBondContact O-NZ 3.47Å; L96-L614 HydrophobicContact CD1-CD2 4.45Å; L96-L614 HydrophobicContact CD2-CD2 3.81Å |
| 97 | N | 70.2 | Confident | 84.1 | Confident | 94 Ų | 94 | 31.7 Ų | 31.7 | 50% | 0.503 | 15% | 0.145 | S | C | . | . | trans | 57.5 | 42 | -174.5 | -167 | 23.1 | 0 | 0 | 0 | 112.9 | F92 H93 | F92-N97 PolarHBondContact O-N 3.09Å; H93-N97 VanDerWaalsContact O-CA 3.26Å; H93-N97 WeakPolarHBondContact O-CA 3.37Å; H93-N97 PolarHBondContact O-N 3.43Å | ||
| 98 | I | 74.6 | Confident | 83.8 | Confident | 28 Ų | 28 | 31 Ų | 31 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | trans | -113.6 | 89.5 | -176.1 | -56.5 | -177.2 | 0 | 0 | 0 | 108.6 | L58 F92 L96 A102 | L58-I98 HydrophobicContact CB-CD1 4.27Å; L58-I98 HydrophobicContact CD1-CD1 3.87Å; L58-I98 HydrophobicContact CD2-CB 4.46Å; L58-I98 HydrophobicContact CD2-CD1 3.22Å; L58-I98 HydrophobicContact CD2-CG1 4.35Å; L58-I98 HydrophobicContact CD2-CG2 4Å; L58-I98 HydrophobicContact CG-CD1 3.94Å; F92-I98 PolarHBondContact O-N 3.28Å; L96-I98 VanDerWaalsContact C-N 3.33Å; L96-I98 HydrophobicContact CB-CB 4.48Å; L96-I98 HydrophobicContact CB-CD1 3.76Å; L96-I98 HydrophobicContact CB-CG1 3.82Å; L96-I98 HydrophobicContact CD1-CD1 4.37Å; L96-I98 WeakPolarHBondContact O-CG1 3.24Å; I98-A102 WeakPolarHBondContact O-CB 3.14Å; I98-A102 PolarHBondContact O-N 3.01Å | ||
| 99 | R | 79.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 31 Ų | 31 | 36% | 0.362 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -73.1 | -43.1 | -168.6 | -56 | -175 | -175.9 | -163.6 | -3.9 | 112.7 | A102 N103 T129 D132 | R99-A102 PolarHBondContact O-N 2.8Å; R99-N103 VanDerWaalsContact O-CB 3.3Å; R99-N103 WeakPolarHBondContact O-CB 3.37Å; R99-N103 PolarHBondContact O-N 3.42Å; R99-N103 PolarHBondContact O-ND2 2.99Å; R99-N103 VanDerWaalsContact O-ND2 3.16Å; R99-N103 PolarHBondContact O-OD1 3.39Å; R99-T129 PolarHBondContact NH1-OG1 2.94Å; R99-D132 VanDerWaalsContact CD-OD1 3.23Å; R99-D132 WeakPolarHBondContact CD-OD1 3.32Å; R99-D132 IonicContact NH1-OD1 3.71Å; R99-D132 IonicContact NH1-OD2 3.76Å |
| 100 | R | 79.6 | Confident | 83.8 | Confident | 147 Ų | 147 | 31 Ų | 31 | 56% | 0.555 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -61 | -50.4 | -175.5 | -177.6 | 160.1 | -166.9 | 175.5 | 5.2 | 112.9 | N103 L104 E135 | R100-N103 PolarHBondContact O-N 3.21Å; R100-L104 WeakPolarHBondContact O-CB 3.22Å; R100-L104 PolarHBondContact O-N 3.04Å; R100-E135 WeakPolarHBondContact CB-OE1 3.49Å; R100-E135 WeakPolarHBondContact CD-OE1 2.92Å; R100-E135 WeakPolarHBondContact CG-OE1 3.42Å; R100-E135 IonicContact NE-OE1 3.42Å |
| 101 | T | 80.1 | Confident | 83.6 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 177.6 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | L54 F92 L104 L105 | L54-T101 HydrophobicContact CD2-CG2 4.18Å; F92-T101 HydrophobicContact CD1-CG2 3.84Å; F92-T101 HydrophobicContact CE1-CG2 3.99Å; T101-L104 PolarHBondContact O-N 3.17Å; T101-L105 HydrophobicContact CG2-CD1 4.35Å; T101-L105 WeakPolarHBondContact O-CG 3.45Å; T101-L105 PolarHBondContact O-N 3.41Å |
| 102 | A | 86.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S89 F92 H93 I98 R99 L104 L105 V106 | S89-A102 VanDerWaalsContact O-CB 3.28Å; S89-A102 WeakPolarHBondContact O-CB 3.38Å; F92-A102 HydrophobicContact CB-CB 4.21Å; H93-A102 HydrophobicContact CB-CB 3.84Å; I98-A102 WeakPolarHBondContact O-CB 3.14Å; I98-A102 PolarHBondContact O-N 3.01Å; R99-A102 PolarHBondContact O-N 2.8Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 3.49Å; A102-L105 PolarHBondContact O-N 3.27Å; A102-V106 WeakPolarHBondContact O-CG2 3.08Å; A102-V106 PolarHBondContact O-N 2.87Å |
| 103 | N | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 178.2 | -66.3 | -18.4 | 0 | 0 | 0 | 111.4 | R99 R100 S107 I127 D132 E135 V136 | R99-N103 VanDerWaalsContact O-CB 3.3Å; R99-N103 WeakPolarHBondContact O-CB 3.37Å; R99-N103 PolarHBondContact O-N 3.42Å; R99-N103 PolarHBondContact O-ND2 2.99Å; R99-N103 VanDerWaalsContact O-ND2 3.16Å; R99-N103 PolarHBondContact O-OD1 3.39Å; R100-N103 PolarHBondContact O-N 3.21Å; N103-S107 WeakPolarHBondContact O-CB 3.31Å; N103-S107 PolarHBondContact O-N 3.39Å; N103-S107 PolarHBondContact O-OG 2.81Å; N103-I127 WeakPolarHBondContact OD1-CD1 3.12Å; N103-D132 WeakPolarHBondContact ND2-CA 3.34Å; N103-E135 HydrophobicContact CB-CG 4.25Å; N103-E135 PolarHBondContact ND2-OE2 2.85Å; N103-V136 HydrophobicContact CB-CG2 3.79Å |
| 104 | L | 86.3 | Confident | 83.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | 173.6 | 179.1 | 64.4 | 0 | 0 | 0 | 111.5 | R100 T101 A102 V106 S107 I108 C139 L143 | R100-L104 WeakPolarHBondContact O-CB 3.22Å; R100-L104 PolarHBondContact O-N 3.04Å; T101-L104 PolarHBondContact O-N 3.17Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 3.49Å; L104-V106 PolarHBondContact O-N 3.36Å; L104-S107 CarbonylContact O-C 3.5Å; L104-S107 WeakPolarHBondContact O-CA 3.41Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 2.85Å; L104-I108 HydrophobicContact CD1-CD1 4.18Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CD2-CD1 4.46Å; L104-I108 HydrophobicContact CG-CD1 3.86Å; L104-I108 HydrophobicContact CG-CG1 4.42Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.25Å; L104-C139 HydrophobicContact CD1-CB 4.24Å; L104-L143 HydrophobicContact CD1-CD1 4.09Å |
| 105 | L | 89.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 179.1 | -74.2 | 169.8 | 0 | 0 | 0 | 112.3 | L54 I74 I85 I88 S89 T101 A102 S107 I108 A109 | L54-L105 HydrophobicContact CD1-CD1 3.96Å; L54-L105 HydrophobicContact CD1-CD2 4.21Å; L54-L105 HydrophobicContact CD2-CD1 4.21Å; L54-L105 HydrophobicContact CD2-CD2 4.13Å; L54-L105 HydrophobicContact CD2-CG 4.48Å; I74-L105 HydrophobicContact CD1-CD2 3.97Å; I85-L105 HydrophobicContact CG2-CD2 4.37Å; I88-L105 HydrophobicContact CG2-CD1 3.98Å; S89-L105 WeakPolarHBondContact OG-CB 3.31Å; T101-L105 HydrophobicContact CG2-CD1 4.35Å; T101-L105 WeakPolarHBondContact O-CG 3.45Å; T101-L105 PolarHBondContact O-N 3.41Å; A102-L105 PolarHBondContact O-N 3.27Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.29Å; L105-I108 PolarHBondContact O-N 3.41Å; L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 3.39Å |
| 106 | V | 90.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 171.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L86 A102 L104 C110 F123 C126 | L86-V106 HydrophobicContact CD2-CG2 4.17Å; A102-V106 WeakPolarHBondContact O-CG2 3.08Å; A102-V106 PolarHBondContact O-N 2.87Å; L104-V106 PolarHBondContact O-N 3.36Å; V106-C110 PolarHBondContact O-N 3.35Å; V106-C110 PolarHBondContact O-SG 3.12Å; V106-F123 HydrophobicContact CG1-CD2 3.94Å; V106-F123 HydrophobicContact CG1-CE2 4.14Å; V106-C126 HydrophobicContact CG2-CB 4.17Å |
| 107 | S | 88.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | N103 L104 L105 C110 F111 V136 C139 | N103-S107 WeakPolarHBondContact O-CB 3.31Å; N103-S107 PolarHBondContact O-N 3.39Å; N103-S107 PolarHBondContact O-OG 2.81Å; L104-S107 CarbonylContact O-C 3.5Å; L104-S107 WeakPolarHBondContact O-CA 3.41Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.25Å; L104-S107 PolarHBondContact O-N 2.85Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.29Å; S107-C110 WeakPolarHBondContact O-CB 3.32Å; S107-C110 PolarHBondContact O-N 2.73Å; S107-F111 VanDerWaalsContact O-CD2 3.26Å; S107-F111 WeakPolarHBondContact O-CD2 3.42Å; S107-F111 WeakPolarHBondContact O-CE2 3.49Å; S107-V136 PolarHBondContact OG-O 3.21Å; S107-V136 VanDerWaalsContact OG-O 3.13Å; S107-C139 VanDerWaalsContact OG-CB 3.29Å; S107-C139 WeakPolarHBondContact OG-CB 3.37Å |
| 108 | I | 87.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.7 | -67.6 | 166.9 | 0 | 0 | 0 | 110.2 | I74 L104 L105 C110 F111 Y112 L143 L210 | I74-I108 HydrophobicContact CD1-CD1 4.01Å; I74-I108 HydrophobicContact CD1-CG2 3.99Å; I74-I108 HydrophobicContact CG2-CG2 3.97Å; L104-I108 HydrophobicContact CD1-CD1 4.18Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CD2-CD1 4.46Å; L104-I108 HydrophobicContact CG-CD1 3.86Å; L104-I108 HydrophobicContact CG-CG1 4.42Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.25Å; L105-I108 PolarHBondContact O-N 3.41Å; I108-C110 PolarHBondContact O-N 2.97Å; I108-F111 PolarHBondContact O-N 3.11Å; I108-Y112 HydrophobicContact CG2-CE2 3.77Å; I108-Y112 WeakPolarHBondContact O-CD2 3.4Å; I108-L143 HydrophobicContact CG1-CD1 3.67Å; I108-L210 HydrophobicContact CD1-CD2 3.75Å; I108-L210 HydrophobicContact CG1-CD2 4.29Å |
| 109 | A | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.8 | -24.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | I85 L86 L105 F111 C115 | I85-A109 HydrophobicContact CG2-CB 4.16Å; L86-A109 HydrophobicContact CD2-CB 3.86Å; L86-A109 HydrophobicContact CG-CB 4.2Å; L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 3.39Å; A109-F111 VanDerWaalsContact C-N 3.29Å; A109-F111 PolarHBondContact O-N 2.97Å; A109-C115 HydrophobicContact CB-CB 4.06Å; A109-C115 WeakPolarHBondContact O-CB 3.3Å |
| 110 | C | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.9 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | V106 S107 I108 R116 I119 Y140 P153 L156 | V106-C110 PolarHBondContact O-N 3.35Å; V106-C110 PolarHBondContact O-SG 3.12Å; S107-C110 WeakPolarHBondContact O-CB 3.32Å; S107-C110 PolarHBondContact O-N 2.73Å; I108-C110 PolarHBondContact O-N 2.97Å; C110-R116 PolarHBondContact O-NE 3.06Å; C110-I119 HydrophobicContact CB-CD1 4.27Å; C110-I119 VanDerWaalsContact SG-CD1 3.57Å; C110-Y140 HydrophobicContact CB-CD2 4.15Å; C110-Y140 HydrophobicContact CB-CE2 4.11Å; C110-P153 WeakPolarHBondContact O-CG 3.37Å; C110-L156 HydrophobicContact CB-CB 4.49Å; C110-L156 HydrophobicContact CB-CD2 4.09Å |
| 111 | F | 87.2 | Confident | 88 | Confident | 38 Ų | 38 | 35 Ų | 35 | 17% | 0.167 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -39 | -179.8 | -71.7 | -85.2 | 0 | 0 | 0 | 111.7 | S107 I108 A109 R116 Y140 L143 L206 | S107-F111 VanDerWaalsContact O-CD2 3.26Å; S107-F111 WeakPolarHBondContact O-CD2 3.42Å; S107-F111 WeakPolarHBondContact O-CE2 3.49Å; I108-F111 PolarHBondContact O-N 3.11Å; A109-F111 VanDerWaalsContact C-N 3.29Å; A109-F111 PolarHBondContact O-N 2.97Å; F111-R116 PolarHBondContact O-NH2 3.41Å; F111-Y140 HydrophobicContact CD1-CE2 4.4Å; F111-Y140 HydrophobicContact CD2-CD2 4.42Å; F111-Y140 HydrophobicContact CD2-CE2 4.26Å; F111-Y140 AromaticContact CE1-CE2 3.86Å; F111-Y140 HydrophobicContact CE1-CE2 3.86Å; F111-Y140 AromaticContact CE2-CD2 3.62Å; F111-Y140 HydrophobicContact CE2-CD2 3.62Å; F111-Y140 AromaticContact CE2-CE2 3.68Å; F111-Y140 HydrophobicContact CE2-CE2 3.68Å; F111-Y140 HydrophobicContact CE2-CG 4.47Å; F111-Y140 AromaticContact CZ-CD2 3.68Å; F111-Y140 HydrophobicContact CZ-CD2 3.68Å; F111-Y140 AromaticContact CZ-CE2 3.45Å; F111-Y140 HydrophobicContact CZ-CE2 3.45Å; F111-Y140 VanDerWaalsContact CZ-CE2 3.45Å; F111-Y140 HydrophobicContact CZ-CG 4.3Å; F111-Y140 AromaticContact CZ-CZ 3.88Å; F111-L143 HydrophobicContact CD2-CB 4.48Å; F111-L143 HydrophobicContact CD2-CD1 4.5Å; F111-L143 HydrophobicContact CE2-CB 3.47Å; F111-L143 VanDerWaalsContact CE2-CB 3.47Å; F111-L143 HydrophobicContact CE2-CD1 3.86Å; F111-L143 HydrophobicContact CE2-CG 4.33Å; F111-L143 HydrophobicContact CZ-CB 3.52Å; F111-L206 HydrophobicContact CB-CD1 3.59Å; F111-L206 HydrophobicContact CB-CD2 4.31Å; F111-L206 HydrophobicContact CD1-CD1 4.34Å; F111-L206 HydrophobicContact CD1-CD2 3.63Å; F111-L206 HydrophobicContact CD2-CD2 4.1Å; F111-L206 HydrophobicContact CE1-CD2 3.92Å; F111-L206 HydrophobicContact CE2-CD2 4.38Å; F111-L206 HydrophobicContact CG-CD1 3.96Å; F111-L206 HydrophobicContact CG-CD2 3.73Å; F111-L206 HydrophobicContact CZ-CD2 4.3Å |
| 112 | Y | 89 | Confident | 88.6 | Confident | 32 Ų | 32 | 34.1 Ų | 34.1 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -75.4 | 128.2 | 178.6 | -58.1 | -84.2 | 0 | 0 | 0 | 111.9 | I74 D75 V78 I108 Q114 C115 R116 | I74-Y112 HydrophobicContact CG2-CE2 3.84Å; D75-Y112 WeakPolarHBondContact OD1-CE1 3.35Å; D75-Y112 PolarHBondContact OD1-OH 3.26Å; V78-Y112 HydrophobicContact CB-CD1 4.29Å; V78-Y112 HydrophobicContact CB-CG 4.43Å; V78-Y112 HydrophobicContact CG1-CD1 3.73Å; V78-Y112 HydrophobicContact CG1-CE1 4.5Å; V78-Y112 HydrophobicContact CG1-CG 3.8Å; V78-Y112 HydrophobicContact CG2-CD1 4.36Å; V78-Y112 HydrophobicContact CG2-CD2 4.15Å; V78-Y112 HydrophobicContact CG2-CE2 4.43Å; V78-Y112 HydrophobicContact CG2-CG 4.12Å; I108-Y112 HydrophobicContact CG2-CE2 3.77Å; I108-Y112 WeakPolarHBondContact O-CD2 3.4Å; Y112-Q114 VanDerWaalsContact C-N 3.28Å; Y112-Q114 PolarHBondContact O-N 2.98Å; Y112-C115 PolarHBondContact O-N 3.45Å; Y112-R116 WeakPolarHBondContact O-CG 3.29Å |
| 113 | V | 87.1 | Confident | 88.8 | Confident | 96 Ų | 96 | 34.2 Ų | 34.2 | 58% | 0.582 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -37.3 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | C115 R116 | V113-C115 VanDerWaalsContact C-N 3.35Å; V113-C115 PolarHBondContact O-N 2.94Å; V113-R116 WeakPolarHBondContact O-CB 3.48Å; V113-R116 PolarHBondContact O-N 3.38Å |
| 114 | Q | 86.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 37 Ų | 37 | 48% | 0.477 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -38.1 | -179.6 | -57 | 88.5 | -20.8 | 0 | 0 | 112.4 | V78 P82 Y112 R116 V117 | V78-Q114 HydrophobicContact CG1-CB 4.31Å; P82-Q114 HydrophobicContact CB-CB 3.72Å; P82-Q114 HydrophobicContact CG-CB 4.01Å; Y112-Q114 VanDerWaalsContact C-N 3.28Å; Y112-Q114 PolarHBondContact O-N 2.98Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.18Å; Q114-V117 WeakPolarHBondContact O-CG2 3.31Å |
| 115 | C | 88.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.9 | 179.5 | -63.7 | 0 | 0 | 0 | 0 | 113.2 | P82 A109 Y112 V113 V117 F118 I119 | P82-C115 PolarHBondContact O-SG 3.38Å; A109-C115 HydrophobicContact CB-CB 4.06Å; A109-C115 WeakPolarHBondContact O-CB 3.3Å; Y112-C115 PolarHBondContact O-N 3.45Å; V113-C115 VanDerWaalsContact C-N 3.35Å; V113-C115 PolarHBondContact O-N 2.94Å; C115-V117 PolarHBondContact O-N 3.27Å; C115-F118 PolarHBondContact O-N 3.41Å; C115-I119 PolarHBondContact O-N 2.82Å |
| 116 | R | 88.3 | Confident | 88.7 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.5 | -29 | -170.6 | -72.5 | 171.4 | -168.4 | 174.7 | 8.5 | 113.9 | C110 F111 Y112 V113 Q114 F118 I119 A155 | C110-R116 PolarHBondContact O-NE 3.06Å; F111-R116 PolarHBondContact O-NH2 3.41Å; Y112-R116 WeakPolarHBondContact O-CG 3.29Å; V113-R116 WeakPolarHBondContact O-CB 3.48Å; V113-R116 PolarHBondContact O-N 3.38Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.18Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 3.29Å; R116-I119 HydrophobicContact CB-CD1 4.26Å; R116-I119 HydrophobicContact CG-CD1 4.06Å; R116-A155 HydrophobicContact CB-CB 4.23Å |
| 117 | V | 86.9 | Confident | 88.7 | Confident | 99 Ų | 99 | 35.8 Ų | 35.8 | 60% | 0.6 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -65.9 | -33.3 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | Q114 C115 | Q114-V117 WeakPolarHBondContact O-CG2 3.31Å; C115-V117 PolarHBondContact O-N 3.27Å |
| 118 | F | 90.1 | Very high | 88.4 | Confident | 40 Ų | 40 | 38 Ų | 38 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -86 | -19.1 | -178 | -56.1 | -73.3 | 0 | 0 | 0 | 113.7 | P82 E83 L86 C115 R116 K120 K121 Y122 | P82-F118 HydrophobicContact CB-CE2 4.29Å; P82-F118 HydrophobicContact CG-CD2 4.49Å; P82-F118 HydrophobicContact CG-CE2 3.76Å; E83-F118 HydrophobicContact CB-CD1 3.88Å; E83-F118 HydrophobicContact CB-CD2 4.04Å; E83-F118 HydrophobicContact CB-CE1 3.95Å; E83-F118 HydrophobicContact CB-CE2 4.14Å; E83-F118 HydrophobicContact CB-CG 3.92Å; E83-F118 HydrophobicContact CB-CZ 4.09Å; E83-F118 VanDerWaalsContact CD-CD1 3.49Å; E83-F118 HydrophobicContact CG-CB 4.28Å; E83-F118 HydrophobicContact CG-CD1 3.64Å; E83-F118 HydrophobicContact CG-CD2 4.49Å; E83-F118 HydrophobicContact CG-CE1 4.07Å; E83-F118 HydrophobicContact CG-CG 3.87Å; E83-F118 WeakPolarHBondContact OE2-CE1 3.43Å; L86-F118 HydrophobicContact CD1-CB 3.62Å; C115-F118 PolarHBondContact O-N 3.41Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 3.29Å; F118-K120 PolarHBondContact O-N 2.84Å; F118-K120 VanDerWaalsContact O-N 3.14Å; F118-K121 WeakPolarHBondContact O-CB 3.19Å; F118-K121 PolarHBondContact O-N 3.32Å; F118-Y122 HydrophobicContact CB-CD2 4.33Å; F118-Y122 HydrophobicContact CB-CE2 4.34Å; F118-Y122 WeakPolarHBondContact O-CD2 3.4Å; F118-Y122 PolarHBondContact O-N 3.33Å |
| 119 | I | 90.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.7 | -43.6 | -177.1 | -65.8 | 171.9 | 0 | 0 | 0 | 111.3 | L86 C110 C115 R116 K121 Y122 F123 C159 | L86-I119 HydrophobicContact CD1-CG1 4.25Å; C110-I119 HydrophobicContact CB-CD1 4.27Å; C110-I119 VanDerWaalsContact SG-CD1 3.57Å; C115-I119 PolarHBondContact O-N 2.82Å; R116-I119 HydrophobicContact CB-CD1 4.26Å; R116-I119 HydrophobicContact CG-CD1 4.06Å; I119-K121 PolarHBondContact O-N 3.05Å; I119-Y122 PolarHBondContact O-N 3.36Å; I119-F123 HydrophobicContact CG2-CB 4.15Å; I119-F123 HydrophobicContact CG2-CD2 4.1Å; I119-F123 HydrophobicContact CG2-CG 4.5Å; I119-F123 WeakPolarHBondContact O-CB 3.42Å; I119-F123 PolarHBondContact O-N 3.01Å; I119-C159 HydrophobicContact CG2-CB 4.48Å |
| 120 | K | 88 | Confident | 88.2 | Confident | 139 Ų | 139 | 39.2 Ų | 39.2 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.4 | -32.4 | -178.4 | -169.1 | -179.7 | 172.7 | -170.3 | 0 | 112.6 | F118 M636 | F118-K120 PolarHBondContact O-N 2.84Å; F118-K120 VanDerWaalsContact O-N 3.14Å; K120-M636 HydrophobicContact CD-CE 3.91Å; K120-M636 HydrophobicContact CD-SD 4.47Å |
| 121 | K | 88.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -44.4 | 177.4 | -178.4 | 178.2 | 170.8 | -171.8 | 0 | 111.5 | E83 F118 I119 D628 L633 | E83-K121 IonicContact OE1-NZ 2.81Å; E83-K121 PolarHBondContact OE1-NZ 3.04Å; F118-K121 WeakPolarHBondContact O-CB 3.19Å; F118-K121 PolarHBondContact O-N 3.32Å; I119-K121 PolarHBondContact O-N 3.05Å; K121-D628 IonicContact NZ-OD2 3.8Å; K121-D628 PolarHBondContact NZ-OD2 3.37Å; K121-L633 WeakPolarHBondContact CE-O 3.3Å; K121-L633 HydrophobicContact CG-CB 4.05Å |
| 122 | Y | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -98.7 | -24.5 | -170.7 | -66.3 | -84.3 | 0 | 0 | 0 | 115.5 | E83 L86 K87 L90 F118 I119 N124 A125 C126 D628 L633 | E83-Y122 HydrophobicContact CG-CE2 3.66Å; E83-Y122 WeakPolarHBondContact OE1-CE2 3.25Å; E83-Y122 VanDerWaalsContact OE1-CZ 3.27Å; E83-Y122 PolarHBondContact OE1-OH 2.65Å; L86-Y122 HydrophobicContact CB-CD1 4.36Å; L86-Y122 HydrophobicContact CB-CD2 3.62Å; L86-Y122 HydrophobicContact CB-CE2 4.2Å; L86-Y122 HydrophobicContact CB-CG 3.72Å; L86-Y122 HydrophobicContact CD1-CD2 3.87Å; L86-Y122 HydrophobicContact CD1-CG 4.47Å; L86-Y122 HydrophobicContact CG-CD2 4.39Å; K87-Y122 WeakPolarHBondContact CE-OH 3.5Å; K87-Y122 HydrophobicContact CG-CE1 4.01Å; K87-Y122 WeakPolarHBondContact CG-OH 3.47Å; L90-Y122 HydrophobicContact CB-CD1 4.33Å; L90-Y122 HydrophobicContact CD2-CD1 4.07Å; L90-Y122 HydrophobicContact CD2-CE1 4.24Å; F118-Y122 HydrophobicContact CB-CD2 4.33Å; F118-Y122 HydrophobicContact CB-CE2 4.34Å; F118-Y122 WeakPolarHBondContact O-CD2 3.4Å; F118-Y122 PolarHBondContact O-N 3.33Å; I119-Y122 PolarHBondContact O-N 3.36Å; Y122-N124 PolarHBondContact O-N 3.41Å; Y122-A125 PolarHBondContact O-N 3.19Å; Y122-A125 VanDerWaalsContact O-N 3.1Å; Y122-C126 PolarHBondContact O-N 3.32Å; Y122-C126 PolarHBondContact O-SG 3.07Å; Y122-C126 VanDerWaalsContact O-SG 3.32Å; Y122-D628 HydrophobicContact CE1-CB 4.29Å; Y122-D628 WeakPolarHBondContact OH-CB 3.29Å; Y122-L633 HydrophobicContact CD1-CD1 3.76Å; Y122-L633 HydrophobicContact CE1-CD1 3.76Å |
| 123 | F | 92.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | -169.6 | -169.8 | -89.6 | 0 | 0 | 0 | 112.7 | V106 I119 A125 C126 I127 V136 L156 C159 M160 K163 | V106-F123 HydrophobicContact CG1-CD2 3.94Å; V106-F123 HydrophobicContact CG1-CE2 4.14Å; I119-F123 HydrophobicContact CG2-CB 4.15Å; I119-F123 HydrophobicContact CG2-CD2 4.1Å; I119-F123 HydrophobicContact CG2-CG 4.5Å; I119-F123 WeakPolarHBondContact O-CB 3.42Å; I119-F123 PolarHBondContact O-N 3.01Å; F123-A125 VanDerWaalsContact C-N 3.26Å; F123-A125 PolarHBondContact O-N 3.49Å; F123-C126 PolarHBondContact O-N 2.92Å; F123-I127 HydrophobicContact CD1-CG1 4.38Å; F123-I127 HydrophobicContact CD2-CG1 4.38Å; F123-I127 HydrophobicContact CE1-CB 4.38Å; F123-I127 HydrophobicContact CE1-CG1 4.12Å; F123-I127 HydrophobicContact CE2-CG1 4.12Å; F123-I127 HydrophobicContact CG-CG1 4.5Å; F123-I127 HydrophobicContact CZ-CG1 3.97Å; F123-I127 WeakPolarHBondContact O-CB 3.46Å; F123-I127 PolarHBondContact O-N 2.8Å; F123-V136 HydrophobicContact CE2-CG1 4.32Å; F123-L156 HydrophobicContact CD2-CD1 4.3Å; F123-L156 HydrophobicContact CE2-CD1 3.61Å; F123-L156 HydrophobicContact CZ-CD1 4.32Å; F123-C159 HydrophobicContact CB-CB 4.09Å; F123-C159 HydrophobicContact CD1-CB 3.67Å; F123-C159 HydrophobicContact CD2-CB 4.13Å; F123-C159 HydrophobicContact CE1-CB 4.11Å; F123-C159 HydrophobicContact CG-CB 3.69Å; F123-M160 HydrophobicContact CE1-CG 4.36Å; F123-M160 HydrophobicContact CE2-CG 4.31Å; F123-M160 HydrophobicContact CZ-CG 3.64Å; F123-K163 HydrophobicContact CD1-CB 4.27Å; F123-K163 HydrophobicContact CE1-CB 3.89Å; F123-K163 HydrophobicContact CE1-CG 4.21Å |
| 124 | N | 88.5 | Confident | 88.5 | Confident | 59 Ų | 59 | 34.7 Ų | 34.7 | 32% | 0.316 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.3 | -28.2 | -179.4 | -84.1 | 10.3 | 0 | 0 | 0 | 113.1 | Y122 K163 E166 | Y122-N124 PolarHBondContact O-N 3.41Å; N124-K163 PolarHBondContact O-NZ 3.15Å; N124-K163 WeakPolarHBondContact OD1-CD 3.48Å; N124-E166 PolarHBondContact ND2-OE1 3.37Å |
| 125 | A | 86.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -81.7 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L90 K94 Y122 F123 L633 | L90-A125 HydrophobicContact CD1-CB 3.66Å; K94-A125 WeakPolarHBondContact CE-O 3.44Å; K94-A125 PolarHBondContact NZ-O 3.04Å; K94-A125 VanDerWaalsContact NZ-O 3.08Å; Y122-A125 PolarHBondContact O-N 3.19Å; Y122-A125 VanDerWaalsContact O-N 3.1Å; F123-A125 VanDerWaalsContact C-N 3.26Å; F123-A125 PolarHBondContact O-N 3.49Å; A125-L633 HydrophobicContact CB-CD1 4.49Å; A125-L633 HydrophobicContact CB-CD2 4.28Å |
| 126 | C | 87.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -77.1 | -37.3 | 179.9 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | H93 V106 Y122 F123 | H93-C126 PolarHBondContact CD2-O 3Å; H93-C126 VanDerWaalsContact CD2-O 3.3Å; H93-C126 PolarHBondContact CE1-O 3.45Å; H93-C126 VanDerWaalsContact CG-O 3.23Å; H93-C126 PolarHBondContact ND1-O 3.11Å; H93-C126 PolarHBondContact NE2-O 3.21Å; V106-C126 HydrophobicContact CG2-CB 4.17Å; Y122-C126 PolarHBondContact O-N 3.32Å; Y122-C126 PolarHBondContact O-SG 3.07Å; Y122-C126 VanDerWaalsContact O-SG 3.32Å; F123-C126 PolarHBondContact O-N 2.92Å |
| 127 | I | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -97.3 | 104.2 | -176 | -56.1 | -56 | 0 | 0 | 0 | 109.1 | N103 F123 D132 W133 V136 K163 F167 | N103-I127 WeakPolarHBondContact OD1-CD1 3.12Å; F123-I127 HydrophobicContact CD1-CG1 4.38Å; F123-I127 HydrophobicContact CD2-CG1 4.38Å; F123-I127 HydrophobicContact CE1-CB 4.38Å; F123-I127 HydrophobicContact CE1-CG1 4.12Å; F123-I127 HydrophobicContact CE2-CG1 4.12Å; F123-I127 HydrophobicContact CG-CG1 4.5Å; F123-I127 HydrophobicContact CZ-CG1 3.97Å; F123-I127 WeakPolarHBondContact O-CB 3.46Å; F123-I127 PolarHBondContact O-N 2.8Å; I127-D132 HydrophobicContact CD1-CB 4.11Å; I127-D132 HydrophobicContact CG2-CB 4Å; I127-W133 HydrophobicContact CG2-CB 3.93Å; I127-V136 HydrophobicContact CD1-CG2 3.38Å; I127-V136 HydrophobicContact CG1-CG2 4.31Å; I127-K163 HydrophobicContact CG2-CG 4.47Å; I127-K163 WeakPolarHBondContact O-CE 3.25Å; I127-K163 PolarHBondContact O-NZ 3.12Å; I127-F167 HydrophobicContact CG2-CZ 4.46Å | ||
| 128 | C | 83.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 24.6 Ų | 24.6 | 32% | 0.318 | 12% | 0.123 | S | C | . | . | trans | -101.8 | -33.2 | -177.5 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | H93 K94 | H93-C128 PolarHBondContact NE2-SG 2.95Å; K94-C128 PolarHBondContact NZ-SG 3.33Å; K94-C128 VanDerWaalsContact NZ-SG 3.4Å | ||
| 129 | T | 86.4 | Confident | 88.4 | Confident | 29 Ų | 29 | 23.7 Ų | 23.7 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -117.4 | 157 | -174.8 | 70 | 0 | 0 | 0 | 0 | 112.8 | R99 F131 D132 W133 | R99-T129 PolarHBondContact NH1-OG1 2.94Å; T129-F131 PolarHBondContact O-N 3.01Å; T129-F131 VanDerWaalsContact O-N 3.11Å; T129-D132 WeakPolarHBondContact CB-OD2 3.46Å; T129-D132 PolarHBondContact N-OD2 2.96Å; T129-D132 WeakPolarHBondContact O-CB 3.39Å; T129-D132 PolarHBondContact O-N 3.19Å; T129-D132 PolarHBondContact OG1-N 3.09Å; T129-D132 PolarHBondContact OG1-OD1 3.23Å; T129-D132 PolarHBondContact OG1-OD2 2.88Å; T129-W133 PolarHBondContact O-N 3.31Å; T129-W133 VanDerWaalsContact O-N 3.14Å |
| 130 | P | 86.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59 | -23.2 | 174.1 | -26.4 | 34.2 | 0 | 0 | 0 | 113.9 | I134 F167 Q171 L172 C175 | P130-I134 VanDerWaalsContact O-CG1 3.27Å; P130-I134 WeakPolarHBondContact O-CG1 3.45Å; P130-I134 PolarHBondContact O-N 3.15Å; P130-F167 HydrophobicContact CG-CB 4.27Å; P130-F167 HydrophobicContact CG-CD1 3.78Å; P130-F167 HydrophobicContact CG-CD2 4.21Å; P130-F167 HydrophobicContact CG-CE1 4.16Å; P130-F167 HydrophobicContact CG-CG 3.83Å; P130-Q171 HydrophobicContact CG-CB 3.9Å; P130-L172 HydrophobicContact CB-CD2 4.37Å; P130-L172 HydrophobicContact CG-CD2 4.2Å; P130-C175 HydrophobicContact CB-CB 3.9Å |
| 131 | F | 86 | Confident | 88.2 | Confident | 63 Ų | 63 | 17.5 Ų | 17.5 | 28% | 0.276 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -69.6 | -43.5 | 174 | -70 | -77.4 | 0 | 0 | 0 | 111.5 | T129 W133 I134 E135 C175 R178 | T129-F131 PolarHBondContact O-N 3.01Å; T129-F131 VanDerWaalsContact O-N 3.11Å; F131-W133 VanDerWaalsContact C-N 3.27Å; F131-W133 PolarHBondContact O-N 3.48Å; F131-I134 PolarHBondContact O-N 2.87Å; F131-E135 WeakPolarHBondContact O-CB 3.43Å; F131-E135 PolarHBondContact O-N 2.98Å; F131-C175 HydrophobicContact CE2-CB 4.28Å; F131-C175 HydrophobicContact CZ-CB 4.14Å; F131-R178 HydrophobicContact CE1-CB 4.17Å; F131-R178 HydrophobicContact CZ-CB 3.95Å; F131-R178 HydrophobicContact CZ-CG 4.26Å |
| 132 | D | 88.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.8 | -52 | -39.7 | 0 | 0 | 0 | 110.1 | R99 N103 I127 T129 I134 E135 V136 | R99-D132 VanDerWaalsContact CD-OD1 3.23Å; R99-D132 WeakPolarHBondContact CD-OD1 3.32Å; R99-D132 IonicContact NH1-OD1 3.71Å; R99-D132 IonicContact NH1-OD2 3.76Å; N103-D132 WeakPolarHBondContact ND2-CA 3.34Å; I127-D132 HydrophobicContact CD1-CB 4.11Å; I127-D132 HydrophobicContact CG2-CB 4Å; T129-D132 WeakPolarHBondContact CB-OD2 3.46Å; T129-D132 PolarHBondContact N-OD2 2.96Å; T129-D132 WeakPolarHBondContact O-CB 3.39Å; T129-D132 PolarHBondContact O-N 3.19Å; T129-D132 PolarHBondContact OG1-N 3.09Å; T129-D132 PolarHBondContact OG1-OD1 3.23Å; T129-D132 PolarHBondContact OG1-OD2 2.88Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 2.69Å; D132-E135 PolarHBondContact O-N 3.35Å; D132-V136 WeakPolarHBondContact O-CG2 3.32Å; D132-V136 PolarHBondContact O-N 3.39Å |
| 133 | W | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 176.7 | -175.7 | 85.4 | 0 | 0 | 0 | 113.4 | I127 T129 F131 M160 F164 F167 L220 L223 L227 I229 | I127-W133 HydrophobicContact CG2-CB 3.93Å; T129-W133 PolarHBondContact O-N 3.31Å; T129-W133 VanDerWaalsContact O-N 3.14Å; F131-W133 VanDerWaalsContact C-N 3.27Å; F131-W133 PolarHBondContact O-N 3.48Å; W133-M160 HydrophobicContact CD2-CE 4.1Å; W133-M160 HydrophobicContact CG-CE 4.42Å; W133-M160 HydrophobicContact CZ2-CE 4.04Å; W133-M160 PolarHBondContact NE1-O 3.41Å; W133-F164 HydrophobicContact CH2-CD2 4.05Å; W133-F164 HydrophobicContact CZ2-CB 4.38Å; W133-F164 HydrophobicContact CZ2-CD2 4.07Å; W133-F164 HydrophobicContact CZ3-CD2 4.48Å; W133-F167 HydrophobicContact CB-CE2 3.89Å; W133-F167 HydrophobicContact CB-CZ 3.78Å; W133-F167 AromaticContact CD1-CE2 3.97Å; W133-F167 HydrophobicContact CD2-CE2 4.32Å; W133-F167 AromaticContact CG-CE2 3.81Å; W133-F167 HydrophobicContact CG-CE2 3.81Å; W133-F167 HydrophobicContact CG-CZ 4.12Å; W133-L220 HydrophobicContact CE3-CD1 4.46Å; W133-L220 HydrophobicContact CZ3-CD1 4Å; W133-L223 HydrophobicContact CE3-CD1 4.28Å; W133-L223 HydrophobicContact CH2-CB 3.8Å; W133-L223 HydrophobicContact CZ3-CB 3.72Å; W133-L223 HydrophobicContact CZ3-CD1 3.83Å; W133-L223 HydrophobicContact CZ3-CG 4.36Å; W133-L227 HydrophobicContact CH2-CD1 3.7Å; W133-L227 HydrophobicContact CZ2-CD1 3.37Å; W133-I229 HydrophobicContact CH2-CD1 3.91Å; W133-I229 HydrophobicContact CZ2-CD1 3.72Å |
| 134 | I | 89.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.1 | -44.3 | 175.2 | -66.6 | 175.6 | 0 | 0 | 0 | 110.5 | P130 F131 D132 V136 A137 E138 C175 L179 F218 L220 L223 | P130-I134 VanDerWaalsContact O-CG1 3.27Å; P130-I134 WeakPolarHBondContact O-CG1 3.45Å; P130-I134 PolarHBondContact O-N 3.15Å; F131-I134 PolarHBondContact O-N 2.87Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 2.69Å; I134-V136 VanDerWaalsContact C-N 3.32Å; I134-V136 PolarHBondContact O-N 2.8Å; I134-A137 WeakPolarHBondContact O-CA 3.02Å; I134-A137 WeakPolarHBondContact O-CB 3.42Å; I134-A137 PolarHBondContact O-N 3.44Å; I134-E138 HydrophobicContact CG2-CG 4.12Å; I134-E138 WeakPolarHBondContact O-CG 3.17Å; I134-E138 PolarHBondContact O-N 2.95Å; I134-C175 WeakPolarHBondContact CD1-SG 3.47Å; I134-L179 HydrophobicContact CD1-CD1 3.36Å; I134-F218 HydrophobicContact CG2-CB 4.32Å; I134-L220 HydrophobicContact CD1-CD1 4.24Å; I134-L223 HydrophobicContact CB-CD1 4.14Å; I134-L223 HydrophobicContact CG1-CD1 3.73Å; I134-L223 HydrophobicContact CG2-CD1 4.02Å |
| 135 | E | 87.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 17.2 Ų | 17.2 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | -178 | -171.9 | 171.7 | -151.2 | 0 | 0 | 111.8 | R100 N103 F131 D132 A137 E138 C139 | R100-E135 WeakPolarHBondContact CB-OE1 3.49Å; R100-E135 WeakPolarHBondContact CD-OE1 2.92Å; R100-E135 WeakPolarHBondContact CG-OE1 3.42Å; R100-E135 IonicContact NE-OE1 3.42Å; N103-E135 HydrophobicContact CB-CG 4.25Å; N103-E135 PolarHBondContact ND2-OE2 2.85Å; F131-E135 WeakPolarHBondContact O-CB 3.43Å; F131-E135 PolarHBondContact O-N 2.98Å; D132-E135 PolarHBondContact O-N 3.35Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.94Å; E135-E138 PolarHBondContact O-N 3.47Å; E135-C139 WeakPolarHBondContact O-CB 3.31Å; E135-C139 PolarHBondContact O-N 2.93Å; E135-C139 PolarHBondContact O-SG 3.44Å; E135-C139 VanDerWaalsContact O-SG 3.35Å |
| 136 | V | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 171.4 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | N103 S107 F123 I127 D132 I134 Y140 L156 | N103-V136 HydrophobicContact CB-CG2 3.79Å; S107-V136 PolarHBondContact OG-O 3.21Å; S107-V136 VanDerWaalsContact OG-O 3.13Å; F123-V136 HydrophobicContact CE2-CG1 4.32Å; I127-V136 HydrophobicContact CD1-CG2 3.38Å; I127-V136 HydrophobicContact CG1-CG2 4.31Å; D132-V136 WeakPolarHBondContact O-CG2 3.32Å; D132-V136 PolarHBondContact O-N 3.39Å; I134-V136 VanDerWaalsContact C-N 3.32Å; I134-V136 PolarHBondContact O-N 2.8Å; V136-Y140 VanDerWaalsContact O-CB 3.29Å; V136-Y140 WeakPolarHBondContact O-CB 3.31Å; V136-Y140 PolarHBondContact O-N 3.35Å; V136-L156 HydrophobicContact CG1-CD1 4.26Å |
| 137 | A | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | I134 E135 A141 M160 F218 L223 | I134-A137 WeakPolarHBondContact O-CA 3.02Å; I134-A137 WeakPolarHBondContact O-CB 3.42Å; I134-A137 PolarHBondContact O-N 3.44Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.94Å; A137-A141 VanDerWaalsContact O-CB 3.26Å; A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 2.96Å; A137-M160 HydrophobicContact CB-CE 3.79Å; A137-F218 HydrophobicContact CB-CD2 4.1Å; A137-F218 HydrophobicContact CB-CE2 4.31Å; A137-F218 WeakPolarHBondContact O-CE2 3.39Å; A137-L223 HydrophobicContact CB-CD1 4.08Å; A137-L223 HydrophobicContact CB-CD2 3.54Å; A137-L223 HydrophobicContact CB-CG 4.47Å |
| 138 | E | 87.2 | Confident | 84.7 | Confident | 33 Ų | 33 | 27.1 Ų | 27.1 | 15% | 0.154 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 176 | -68.2 | -177.2 | 168.3 | 0 | 0 | 111.1 | I134 E135 A141 S142 I216 H217 F218 | I134-E138 HydrophobicContact CG2-CG 4.12Å; I134-E138 WeakPolarHBondContact O-CG 3.17Å; I134-E138 PolarHBondContact O-N 2.95Å; E135-E138 PolarHBondContact O-N 3.47Å; E138-A141 PolarHBondContact O-N 2.72Å; E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.28Å; E138-I216 WeakPolarHBondContact CB-O 3.38Å; E138-I216 WeakPolarHBondContact CG-O 3.34Å; E138-H217 VanDerWaalsContact OE1-CA 3.26Å; E138-H217 WeakPolarHBondContact OE1-CA 3.49Å; E138-H217 IonicContact OE1-ND1 3.51Å; E138-H217 PolarHBondContact OE1-ND1 2.84Å; E138-H217 IonicContact OE2-ND1 3.96Å; E138-F218 HydrophobicContact CG-CD2 3.66Å; E138-F218 HydrophobicContact CG-CE2 4.34Å; E138-F218 HydrophobicContact CG-CG 4.47Å; E138-F218 PolarHBondContact OE1-N 3.15Å |
| 139 | C | 85.3 | Confident | 84.6 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 14% | 0.142 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 173.9 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | L104 S107 E135 A141 S142 L143 | L104-C139 HydrophobicContact CD1-CB 4.24Å; S107-C139 VanDerWaalsContact OG-CB 3.29Å; S107-C139 WeakPolarHBondContact OG-CB 3.37Å; E135-C139 WeakPolarHBondContact O-CB 3.31Å; E135-C139 PolarHBondContact O-N 2.93Å; E135-C139 PolarHBondContact O-SG 3.44Å; E135-C139 VanDerWaalsContact O-SG 3.35Å; C139-A141 PolarHBondContact O-N 3.37Å; C139-S142 PolarHBondContact O-N 2.87Å; C139-L143 VanDerWaalsContact O-CG 3.3Å; C139-L143 WeakPolarHBondContact O-CG 3.42Å; C139-L143 PolarHBondContact O-N 3.38Å |
| 140 | Y | 87.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.6 | -176.2 | -85.2 | 0 | 0 | 0 | 112.4 | C110 F111 V136 S142 L143 S144 L149 G151 M152 P153 L156 | C110-Y140 HydrophobicContact CB-CD2 4.15Å; C110-Y140 HydrophobicContact CB-CE2 4.11Å; F111-Y140 HydrophobicContact CD1-CE2 4.4Å; F111-Y140 HydrophobicContact CD2-CD2 4.42Å; F111-Y140 HydrophobicContact CD2-CE2 4.26Å; F111-Y140 AromaticContact CE1-CE2 3.86Å; F111-Y140 HydrophobicContact CE1-CE2 3.86Å; F111-Y140 AromaticContact CE2-CD2 3.62Å; F111-Y140 HydrophobicContact CE2-CD2 3.62Å; F111-Y140 AromaticContact CE2-CE2 3.68Å; F111-Y140 HydrophobicContact CE2-CE2 3.68Å; F111-Y140 HydrophobicContact CE2-CG 4.47Å; F111-Y140 AromaticContact CZ-CD2 3.68Å; F111-Y140 HydrophobicContact CZ-CD2 3.68Å; F111-Y140 AromaticContact CZ-CE2 3.45Å; F111-Y140 HydrophobicContact CZ-CE2 3.45Å; F111-Y140 VanDerWaalsContact CZ-CE2 3.45Å; F111-Y140 HydrophobicContact CZ-CG 4.3Å; F111-Y140 AromaticContact CZ-CZ 3.88Å; V136-Y140 VanDerWaalsContact O-CB 3.29Å; V136-Y140 WeakPolarHBondContact O-CB 3.31Å; V136-Y140 PolarHBondContact O-N 3.35Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 2.93Å; Y140-L143 PolarHBondContact O-N 2.97Å; Y140-S144 VanDerWaalsContact O-CB 3.29Å; Y140-S144 WeakPolarHBondContact O-CB 3.44Å; Y140-S144 PolarHBondContact O-N 3.49Å; Y140-S144 PolarHBondContact O-OG 3.48Å; Y140-L149 HydrophobicContact CD1-CD2 3.63Å; Y140-L149 HydrophobicContact CE1-CD2 4.23Å; Y140-G151 PolarHBondContact OH-O 3.16Å; Y140-M152 HydrophobicContact CD1-CG 4.11Å; Y140-M152 HydrophobicContact CE1-CB 4.02Å; Y140-M152 HydrophobicContact CE1-CG 3.81Å; Y140-P153 HydrophobicContact CE2-CG 4.41Å; Y140-P153 WeakPolarHBondContact OH-CD 3.26Å; Y140-L156 HydrophobicContact CD2-CD2 3.73Å; Y140-L156 HydrophobicContact CE2-CD2 4.19Å; Y140-L156 HydrophobicContact CG-CD2 3.99Å |
| 141 | A | 86.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A137 E138 C139 S144 G145 L149 I216 F218 | A137-A141 VanDerWaalsContact O-CB 3.26Å; A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 2.96Å; E138-A141 PolarHBondContact O-N 2.72Å; C139-A141 PolarHBondContact O-N 3.37Å; A141-S144 WeakPolarHBondContact CA-OG 3.33Å; A141-S144 PolarHBondContact O-OG 2.73Å; A141-G145 PolarHBondContact O-N 2.98Å; A141-G145 VanDerWaalsContact O-N 3.11Å; A141-L149 HydrophobicContact CB-CD2 3.78Å; A141-I216 HydrophobicContact CB-CB 4.35Å; A141-I216 HydrophobicContact CB-CD1 3.69Å; A141-I216 HydrophobicContact CB-CG2 4.02Å; A141-I216 WeakPolarHBondContact O-CD1 3.29Å; A141-F218 HydrophobicContact CB-CE2 3.65Å; A141-F218 HydrophobicContact CB-CZ 3.71Å |
| 142 | S | 81.5 | Confident | 83.7 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.7 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | E138 C139 Y140 P213 S214 | E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.28Å; C139-S142 PolarHBondContact O-N 2.87Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 2.93Å; S142-P213 VanDerWaalsContact OG-CA 3.32Å; S142-P213 WeakPolarHBondContact OG-CA 3.44Å; S142-P213 WeakPolarHBondContact OG-CB 3.37Å; S142-S214 PolarHBondContact OG-O 3.02Å |
| 143 | L | 80.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73 | -38.5 | 179.9 | -68.5 | 169.8 | 0 | 0 | 0 | 112.3 | L104 I108 F111 C139 Y140 G145 R209 L210 | L104-L143 HydrophobicContact CD1-CD1 4.09Å; I108-L143 HydrophobicContact CG1-CD1 3.67Å; F111-L143 HydrophobicContact CD2-CB 4.48Å; F111-L143 HydrophobicContact CD2-CD1 4.5Å; F111-L143 HydrophobicContact CE2-CB 3.47Å; F111-L143 VanDerWaalsContact CE2-CB 3.47Å; F111-L143 HydrophobicContact CE2-CD1 3.86Å; F111-L143 HydrophobicContact CE2-CG 4.33Å; F111-L143 HydrophobicContact CZ-CB 3.52Å; C139-L143 VanDerWaalsContact O-CG 3.3Å; C139-L143 WeakPolarHBondContact O-CG 3.42Å; C139-L143 PolarHBondContact O-N 3.38Å; Y140-L143 PolarHBondContact O-N 2.97Å; L143-G145 PolarHBondContact O-N 3.04Å; L143-R209 WeakPolarHBondContact O-CD 3.47Å; L143-R209 PolarHBondContact O-NH1 3.45Å; L143-L210 HydrophobicContact CD2-CD2 3.72Å; L143-L210 HydrophobicContact CD2-CG 4.09Å |
| 144 | S | 81.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.2 | -16.5 | 178.3 | 58 | 0 | 0 | 0 | 0 | 113.1 | Y140 A141 D146 R209 | Y140-S144 VanDerWaalsContact O-CB 3.29Å; Y140-S144 WeakPolarHBondContact O-CB 3.44Å; Y140-S144 PolarHBondContact O-N 3.49Å; Y140-S144 PolarHBondContact O-OG 3.48Å; A141-S144 WeakPolarHBondContact CA-OG 3.33Å; A141-S144 PolarHBondContact O-OG 2.73Å; S144-D146 PolarHBondContact O-N 2.81Å; S144-D146 VanDerWaalsContact O-N 3.1Å; S144-D146 PolarHBondContact OG-N 2.85Å; S144-R209 PolarHBondContact O-NH1 3.42Å |
| 145 | G | 75 | Confident | 83.2 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 66 | 2.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A141 L143 P147 | A141-G145 PolarHBondContact O-N 2.98Å; A141-G145 VanDerWaalsContact O-N 3.11Å; L143-G145 PolarHBondContact O-N 3.04Å; G145-P147 WeakPolarHBondContact O-CD 3.4Å |
| 146 | D | 79.4 | Confident | 83.4 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | trans | -103.8 | 93.1 | 179.6 | -179.5 | 12 | 0 | 0 | 0 | 110.1 | S144 K148 L149 R150 G151 | S144-D146 PolarHBondContact O-N 2.81Å; S144-D146 VanDerWaalsContact O-N 3.1Å; S144-D146 PolarHBondContact OG-N 2.85Å; D146-K148 PolarHBondContact O-N 2.99Å; D146-K148 WeakPolarHBondContact OD1-CA 3.41Å; D146-K148 VanDerWaalsContact OD1-CB 3.23Å; D146-K148 WeakPolarHBondContact OD1-CB 3.32Å; D146-K148 PolarHBondContact OD1-N 3.17Å; D146-L149 PolarHBondContact O-N 2.76Å; D146-L149 PolarHBondContact OD2-N 2.8Å; D146-R150 WeakPolarHBondContact OD2-CA 3.3Å; D146-R150 WeakPolarHBondContact OD2-CB 3.35Å; D146-R150 PolarHBondContact OD2-N 2.69Å; D146-G151 PolarHBondContact OD2-N 3.01Å | ||
| 147 | P | 76.5 | Confident | 83.5 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8.2 | 176.7 | 29.5 | -36.7 | 0 | 0 | 0 | 112.3 | G145 I216 K226 | G145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-I216 HydrophobicContact CB-CD1 4.05Å; P147-K226 PolarHBondContact O-NZ 2.74Å |
| 148 | K | 78.2 | Confident | 83.5 | Confident | 123 Ų | 123 | 52 Ų | 52 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.7 | 175.7 | -61.8 | 178.9 | -178.7 | 169.4 | 0 | 112.8 | D146 R150 K226 | D146-K148 PolarHBondContact O-N 2.99Å; D146-K148 WeakPolarHBondContact OD1-CA 3.41Å; D146-K148 VanDerWaalsContact OD1-CB 3.23Å; D146-K148 WeakPolarHBondContact OD1-CB 3.32Å; D146-K148 PolarHBondContact OD1-N 3.17Å; K148-R150 VanDerWaalsContact C-N 3.27Å; K148-R150 HydrophobicContact CB-CG 3.98Å; K148-K226 VanDerWaalsContact C-NZ 3.27Å; K148-K226 PolarHBondContact O-NZ 3.37Å; K148-K226 VanDerWaalsContact O-NZ 3.08Å |
| 149 | L | 80.8 | Confident | 83.7 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | 60.3 | 28.6 | -177.3 | -59.1 | 175.3 | 0 | 0 | 0 | 113.9 | Y140 A141 D146 F218 L223 K226 | Y140-L149 HydrophobicContact CD1-CD2 3.63Å; Y140-L149 HydrophobicContact CE1-CD2 4.23Å; A141-L149 HydrophobicContact CB-CD2 3.78Å; D146-L149 PolarHBondContact O-N 2.76Å; D146-L149 PolarHBondContact OD2-N 2.8Å; L149-F218 HydrophobicContact CD1-CE2 4.12Å; L149-F218 HydrophobicContact CD1-CZ 4Å; L149-F218 HydrophobicContact CG-CZ 4.11Å; L149-L223 HydrophobicContact CD1-CD2 3.87Å; L149-K226 HydrophobicContact CD1-CD 4.27Å | ||
| 150 | R | 79.2 | Confident | 84 | Confident | 184 Ų | 184 | 50 Ų | 50 | 69% | 0.694 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -44.8 | 178.5 | -67.4 | 177 | 175.3 | -179.8 | -4.4 | 110.6 | D146 K148 M152 | D146-R150 WeakPolarHBondContact OD2-CA 3.3Å; D146-R150 WeakPolarHBondContact OD2-CB 3.35Å; D146-R150 PolarHBondContact OD2-N 2.69Å; K148-R150 VanDerWaalsContact C-N 3.27Å; K148-R150 HydrophobicContact CB-CG 3.98Å; R150-M152 VanDerWaalsContact C-N 3.25Å; R150-M152 PolarHBondContact O-N 3.26Å |
| 151 | G | 75.9 | Confident | 84.2 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 17.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y140 D146 P153 | Y140-G151 PolarHBondContact OH-O 3.16Å; D146-G151 PolarHBondContact OD2-N 3.01Å; G151-P153 WeakPolarHBondContact O-CD 3.41Å |
| 152 | M | 85.9 | Confident | 84.4 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | trans | -72.6 | 126.7 | -175 | -161.6 | 176.2 | 78.5 | 0 | 0 | 112.3 | Y140 R150 L156 R157 M160 L227 | Y140-M152 HydrophobicContact CD1-CG 4.11Å; Y140-M152 HydrophobicContact CE1-CB 4.02Å; Y140-M152 HydrophobicContact CE1-CG 3.81Å; R150-M152 VanDerWaalsContact C-N 3.25Å; R150-M152 PolarHBondContact O-N 3.26Å; M152-L156 HydrophobicContact CE-CG 4.42Å; M152-L156 HydrophobicContact CG-CB 4.46Å; M152-L156 HydrophobicContact CG-CD2 3.74Å; M152-L156 HydrophobicContact CG-CG 4.23Å; M152-L156 HydrophobicContact SD-CD2 3.83Å; M152-L156 HydrophobicContact SD-CG 4.11Å; M152-R157 HydrophobicContact CE-CB 3.44Å; M152-R157 VanDerWaalsContact CE-CB 3.44Å; M152-R157 HydrophobicContact CE-CG 3.69Å; M152-M160 HydrophobicContact CE-SD 4.11Å; M152-M160 HydrophobicContact SD-SD 4.04Å; M152-L227 HydrophobicContact CE-CD2 3.24Å; M152-L227 HydrophobicContact SD-CD2 4.19Å | ||
| 153 | P | 87.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.078 | 29% | 0.292 | C | S | . | . | trans | -51.9 | 141.5 | -179.2 | -28.7 | 29.4 | 0 | 0 | 0 | 113.1 | C110 Y140 G151 A155 L156 R157 | C110-P153 WeakPolarHBondContact O-CG 3.37Å; Y140-P153 HydrophobicContact CE2-CG 4.41Å; Y140-P153 WeakPolarHBondContact OH-CD 3.26Å; G151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-A155 PolarHBondContact O-N 3.04Å; P153-L156 PolarHBondContact O-N 3.19Å; P153-R157 WeakPolarHBondContact O-CB 3.11Å; P153-R157 PolarHBondContact O-N 3.25Å | ||
| 154 | K | 86.8 | Confident | 85.4 | Confident | 177 Ų | 177 | 54.5 Ų | 54.5 | 77% | 0.77 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.2 | -37.6 | 177.6 | -70 | -179.1 | -179.3 | 174.6 | 0 | 112 | R157 K158 | K154-R157 PolarHBondContact O-N 2.83Å; K154-K158 WeakPolarHBondContact O-CB 3.42Å; K154-K158 WeakPolarHBondContact O-CG 3.29Å; K154-K158 PolarHBondContact O-N 2.96Å |
| 155 | A | 86.8 | Confident | 85.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -53.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R116 P153 R157 K158 C159 | R116-A155 HydrophobicContact CB-CB 4.23Å; P153-A155 PolarHBondContact O-N 3.04Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.2Å; A155-K158 PolarHBondContact O-N 3.32Å; A155-C159 PolarHBondContact O-N 3.22Å; A155-C159 PolarHBondContact O-SG 3.06Å |
| 156 | L | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.3 | 177.5 | 59.6 | 0 | 0 | 0 | 111.3 | C110 F123 V136 Y140 M152 P153 K158 C159 M160 | C110-L156 HydrophobicContact CB-CB 4.49Å; C110-L156 HydrophobicContact CB-CD2 4.09Å; F123-L156 HydrophobicContact CD2-CD1 4.3Å; F123-L156 HydrophobicContact CE2-CD1 3.61Å; F123-L156 HydrophobicContact CZ-CD1 4.32Å; V136-L156 HydrophobicContact CG1-CD1 4.26Å; Y140-L156 HydrophobicContact CD2-CD2 3.73Å; Y140-L156 HydrophobicContact CE2-CD2 4.19Å; Y140-L156 HydrophobicContact CG-CD2 3.99Å; M152-L156 HydrophobicContact CE-CG 4.42Å; M152-L156 HydrophobicContact CG-CB 4.46Å; M152-L156 HydrophobicContact CG-CD2 3.74Å; M152-L156 HydrophobicContact CG-CG 4.23Å; M152-L156 HydrophobicContact SD-CD2 3.83Å; M152-L156 HydrophobicContact SD-CG 4.11Å; P153-L156 PolarHBondContact O-N 3.19Å; L156-K158 PolarHBondContact O-N 2.82Å; L156-C159 PolarHBondContact O-N 3.02Å; L156-M160 HydrophobicContact CD1-CG 3.91Å; L156-M160 HydrophobicContact CD1-SD 4.13Å; L156-M160 HydrophobicContact CG-CG 4.32Å; L156-M160 HydrophobicContact CG-SD 4.13Å; L156-M160 WeakPolarHBondContact O-CB 3.33Å; L156-M160 WeakPolarHBondContact O-CG 3.13Å; L156-M160 PolarHBondContact O-N 3.43Å |
| 157 | R | 91.1 | Very high | 86.7 | Confident | 73 Ų | 73 | 58 Ų | 58 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 178.4 | -165.9 | 179.5 | -64.4 | -132.7 | 1.7 | 111.9 | M152 P153 K154 A155 M160 V161 L227 | M152-R157 HydrophobicContact CE-CB 3.44Å; M152-R157 VanDerWaalsContact CE-CB 3.44Å; M152-R157 HydrophobicContact CE-CG 3.69Å; P153-R157 WeakPolarHBondContact O-CB 3.11Å; P153-R157 PolarHBondContact O-N 3.25Å; K154-R157 PolarHBondContact O-N 2.83Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.2Å; R157-M160 PolarHBondContact O-N 3.35Å; R157-V161 WeakPolarHBondContact O-CB 3.49Å; R157-V161 WeakPolarHBondContact O-CG2 3.36Å; R157-V161 PolarHBondContact O-N 3.34Å; R157-L227 HydrophobicContact CG-CD2 4.3Å |
| 158 | K | 90.1 | Very high | 87.1 | Confident | 160 Ų | 160 | 58.2 Ų | 58.2 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 177.6 | -76.4 | -177.5 | 177 | -173.8 | 0 | 111.7 | K154 A155 L156 V161 S162 | K154-K158 WeakPolarHBondContact O-CB 3.42Å; K154-K158 WeakPolarHBondContact O-CG 3.29Å; K154-K158 PolarHBondContact O-N 2.96Å; A155-K158 PolarHBondContact O-N 3.32Å; L156-K158 PolarHBondContact O-N 2.82Å; K158-V161 PolarHBondContact O-N 3.28Å; K158-S162 WeakPolarHBondContact O-CB 3.43Å; K158-S162 PolarHBondContact O-N 2.92Å |
| 159 | C | 90.8 | Very high | 87.2 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.081 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 180 | -62.2 | 0 | 0 | 0 | 0 | 112 | I119 F123 A155 L156 V161 S162 K163 | I119-C159 HydrophobicContact CG2-CB 4.48Å; F123-C159 HydrophobicContact CB-CB 4.09Å; F123-C159 HydrophobicContact CD1-CB 3.67Å; F123-C159 HydrophobicContact CD2-CB 4.13Å; F123-C159 HydrophobicContact CE1-CB 4.11Å; F123-C159 HydrophobicContact CG-CB 3.69Å; A155-C159 PolarHBondContact O-N 3.22Å; A155-C159 PolarHBondContact O-SG 3.06Å; L156-C159 PolarHBondContact O-N 3.02Å; C159-V161 PolarHBondContact O-N 3.35Å; C159-S162 PolarHBondContact O-N 3.29Å; C159-K163 VanDerWaalsContact O-CB 3.27Å; C159-K163 WeakPolarHBondContact O-CB 3.39Å; C159-K163 PolarHBondContact O-N 2.82Å |
| 160 | M | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.7 | -74.6 | -172.5 | 80.8 | 0 | 0 | 112.8 | F123 W133 A137 M152 L156 R157 F164 L227 | F123-M160 HydrophobicContact CE1-CG 4.36Å; F123-M160 HydrophobicContact CE2-CG 4.31Å; F123-M160 HydrophobicContact CZ-CG 3.64Å; W133-M160 HydrophobicContact CD2-CE 4.1Å; W133-M160 HydrophobicContact CG-CE 4.42Å; W133-M160 HydrophobicContact CZ2-CE 4.04Å; W133-M160 PolarHBondContact NE1-O 3.41Å; A137-M160 HydrophobicContact CB-CE 3.79Å; M152-M160 HydrophobicContact CE-SD 4.11Å; M152-M160 HydrophobicContact SD-SD 4.04Å; L156-M160 HydrophobicContact CD1-CG 3.91Å; L156-M160 HydrophobicContact CD1-SD 4.13Å; L156-M160 HydrophobicContact CG-CG 4.32Å; L156-M160 HydrophobicContact CG-SD 4.13Å; L156-M160 WeakPolarHBondContact O-CB 3.33Å; L156-M160 WeakPolarHBondContact O-CG 3.13Å; L156-M160 PolarHBondContact O-N 3.43Å; R157-M160 PolarHBondContact O-N 3.35Å; M160-F164 PolarHBondContact O-N 3.46Å; M160-L227 HydrophobicContact CB-CD1 4.12Å; M160-L227 HydrophobicContact CE-CD1 3.78Å; M160-L227 HydrophobicContact SD-CD1 4.23Å; M160-L227 HydrophobicContact SD-CD2 4.48Å |
| 161 | V | 91.7 | Very high | 87 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | R157 K158 C159 F164 L227 I229 | R157-V161 WeakPolarHBondContact O-CB 3.49Å; R157-V161 WeakPolarHBondContact O-CG2 3.36Å; R157-V161 PolarHBondContact O-N 3.34Å; K158-V161 PolarHBondContact O-N 3.28Å; C159-V161 PolarHBondContact O-N 3.35Å; V161-F164 WeakPolarHBondContact O-CB 3.46Å; V161-F164 PolarHBondContact O-N 2.95Å; V161-L227 HydrophobicContact CG2-CB 4.3Å; V161-I229 HydrophobicContact CG1-CG1 4.42Å; V161-I229 HydrophobicContact CG2-CG1 4Å |
| 162 | S | 89.6 | Confident | 87.3 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.8 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | K158 C159 F164 C165 | K158-S162 WeakPolarHBondContact O-CB 3.43Å; K158-S162 PolarHBondContact O-N 2.92Å; C159-S162 PolarHBondContact O-N 3.29Å; S162-F164 VanDerWaalsContact C-N 3.25Å; S162-F164 PolarHBondContact O-N 2.97Å; S162-C165 WeakPolarHBondContact O-CB 3.36Å; S162-C165 PolarHBondContact O-N 3.4Å |
| 163 | K | 91.6 | Very high | 86.9 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -29 | -177.6 | -171.9 | 54.6 | 167.4 | -170.9 | 0 | 113 | F123 N124 I127 C159 C165 E166 F167 | F123-K163 HydrophobicContact CD1-CB 4.27Å; F123-K163 HydrophobicContact CE1-CB 3.89Å; F123-K163 HydrophobicContact CE1-CG 4.21Å; N124-K163 PolarHBondContact O-NZ 3.15Å; N124-K163 WeakPolarHBondContact OD1-CD 3.48Å; I127-K163 HydrophobicContact CG2-CG 4.47Å; I127-K163 WeakPolarHBondContact O-CE 3.25Å; I127-K163 PolarHBondContact O-NZ 3.12Å; C159-K163 VanDerWaalsContact O-CB 3.27Å; C159-K163 WeakPolarHBondContact O-CB 3.39Å; C159-K163 PolarHBondContact O-N 2.82Å; K163-C165 PolarHBondContact O-N 3.4Å; K163-E166 HydrophobicContact CD-CB 4.37Å; K163-E166 HydrophobicContact CD-CG 4.48Å; K163-E166 VanDerWaalsContact CD-OE2 3.28Å; K163-E166 WeakPolarHBondContact CD-OE2 3.34Å; K163-E166 WeakPolarHBondContact CE-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 3.12Å; K163-E166 PolarHBondContact NZ-OE2 3.29Å; K163-E166 PolarHBondContact O-N 2.99Å; K163-E166 VanDerWaalsContact O-N 3.11Å; K163-F167 HydrophobicContact CG-CE2 4.42Å; K163-F167 HydrophobicContact CG-CZ 3.99Å |
| 164 | F | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -32.4 | 177.2 | -177.3 | -90.6 | 0 | 0 | 0 | 112.7 | W133 M160 V161 S162 E166 F167 L172 L220 V224 I229 V236 I239 | W133-F164 HydrophobicContact CH2-CD2 4.05Å; W133-F164 HydrophobicContact CZ2-CB 4.38Å; W133-F164 HydrophobicContact CZ2-CD2 4.07Å; W133-F164 HydrophobicContact CZ3-CD2 4.48Å; M160-F164 PolarHBondContact O-N 3.46Å; V161-F164 WeakPolarHBondContact O-CB 3.46Å; V161-F164 PolarHBondContact O-N 2.95Å; S162-F164 VanDerWaalsContact C-N 3.25Å; S162-F164 PolarHBondContact O-N 2.97Å; F164-E166 PolarHBondContact O-N 2.69Å; F164-F167 HydrophobicContact CD2-CD2 4.39Å; F164-F167 PolarHBondContact O-N 3.03Å; F164-L172 HydrophobicContact CE2-CD2 3.97Å; F164-L172 HydrophobicContact CZ-CD1 4.39Å; F164-L172 HydrophobicContact CZ-CD2 4.46Å; F164-L220 HydrophobicContact CE2-CD1 4.43Å; F164-V224 HydrophobicContact CE2-CG2 3.87Å; F164-V224 HydrophobicContact CZ-CG2 3.95Å; F164-I229 HydrophobicContact CB-CD1 4.01Å; F164-I229 HydrophobicContact CD1-CD1 4.33Å; F164-I229 HydrophobicContact CD1-CG2 3.54Å; F164-I229 HydrophobicContact CD2-CD1 4.03Å; F164-I229 HydrophobicContact CE1-CG2 3.81Å; F164-I229 HydrophobicContact CG-CD1 3.87Å; F164-I229 HydrophobicContact CG-CG2 4.15Å; F164-V236 HydrophobicContact CE1-CG2 3.97Å; F164-I239 HydrophobicContact CE2-CD1 4.05Å; F164-I239 HydrophobicContact CZ-CD1 3.56Å |
| 165 | C | 88.1 | Confident | 85.9 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 46% | 0.459 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.7 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | S162 K163 | S162-C165 WeakPolarHBondContact O-CB 3.36Å; S162-C165 PolarHBondContact O-N 3.4Å; K163-C165 PolarHBondContact O-N 3.4Å |
| 166 | E | 87.1 | Confident | 85.5 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -14.4 | -179 | -63.8 | 175.4 | -156.7 | 0 | 0 | 113.1 | N124 K163 F164 | N124-E166 PolarHBondContact ND2-OE1 3.37Å; K163-E166 HydrophobicContact CD-CB 4.37Å; K163-E166 HydrophobicContact CD-CG 4.48Å; K163-E166 VanDerWaalsContact CD-OE2 3.28Å; K163-E166 WeakPolarHBondContact CD-OE2 3.34Å; K163-E166 WeakPolarHBondContact CE-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 3.12Å; K163-E166 PolarHBondContact NZ-OE2 3.29Å; K163-E166 PolarHBondContact O-N 2.99Å; K163-E166 VanDerWaalsContact O-N 3.11Å; F164-E166 PolarHBondContact O-N 2.69Å |
| 167 | F | 88.9 | Confident | 84.5 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -74.9 | 131.7 | -177.2 | -65.9 | -49.2 | 0 | 0 | 0 | 112.2 | I127 P130 W133 K163 F164 L172 | I127-F167 HydrophobicContact CG2-CZ 4.46Å; P130-F167 HydrophobicContact CG-CB 4.27Å; P130-F167 HydrophobicContact CG-CD1 3.78Å; P130-F167 HydrophobicContact CG-CD2 4.21Å; P130-F167 HydrophobicContact CG-CE1 4.16Å; P130-F167 HydrophobicContact CG-CG 3.83Å; W133-F167 HydrophobicContact CB-CE2 3.89Å; W133-F167 HydrophobicContact CB-CZ 3.78Å; W133-F167 AromaticContact CD1-CE2 3.97Å; W133-F167 HydrophobicContact CD2-CE2 4.32Å; W133-F167 AromaticContact CG-CE2 3.81Å; W133-F167 HydrophobicContact CG-CE2 3.81Å; W133-F167 HydrophobicContact CG-CZ 4.12Å; K163-F167 HydrophobicContact CG-CE2 4.42Å; K163-F167 HydrophobicContact CG-CZ 3.99Å; F164-F167 HydrophobicContact CD2-CD2 4.39Å; F164-F167 PolarHBondContact O-N 3.03Å; F167-L172 HydrophobicContact CB-CD1 4.18Å; F167-L172 HydrophobicContact CB-CD2 3.93Å; F167-L172 HydrophobicContact CB-CG 3.89Å; F167-L172 HydrophobicContact CD2-CD2 4.2Å; F167-L172 HydrophobicContact CG-CD2 4.39Å |
| 168 | D | 83.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | trans | -68.4 | 152.3 | 175.9 | 89.5 | 44.3 | 0 | 0 | 0 | 111.8 | N170 Q171 L172 | D168-N170 VanDerWaalsContact C-N 3.28Å; D168-N170 PolarHBondContact O-N 3.03Å; D168-N170 VanDerWaalsContact OD1-CA 3.23Å; D168-N170 WeakPolarHBondContact OD1-CA 3.14Å; D168-N170 VanDerWaalsContact OD1-CB 3.24Å; D168-N170 WeakPolarHBondContact OD1-CB 3.48Å; D168-N170 PolarHBondContact OD1-N 2.85Å; D168-Q171 VanDerWaalsContact CG-CG 3.48Å; D168-Q171 PolarHBondContact O-N 3.09Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.23Å; D168-Q171 PolarHBondContact OD1-N 3.39Å; D168-Q171 WeakPolarHBondContact OD2-CG 3.5Å; D168-Q171 PolarHBondContact OD2-NE2 2.98Å; D168-L172 WeakPolarHBondContact O-CG 3.43Å; D168-L172 PolarHBondContact O-N 2.92Å; D168-L172 VanDerWaalsContact O-N 3.12Å | ||
| 169 | Q | 81.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -33.2 | -177.8 | -66.8 | -178.6 | -1.4 | 0 | 0 | 113 | A173 N235 L271 P272 | Q169-A173 VanDerWaalsContact O-CB 3.27Å; Q169-A173 WeakPolarHBondContact O-CB 3.43Å; Q169-A173 PolarHBondContact O-N 3.38Å; Q169-N235 VanDerWaalsContact CG-OD1 3.3Å; Q169-N235 WeakPolarHBondContact CG-OD1 3.48Å; Q169-N235 PolarHBondContact NE2-OD1 2.91Å; Q169-N235 VanDerWaalsContact NE2-OD1 3.11Å; Q169-L271 HydrophobicContact CB-CD2 4.27Å; Q169-L271 HydrophobicContact CG-CD2 4.3Å; Q169-P272 HydrophobicContact CB-CG 4.37Å; Q169-P272 VanDerWaalsContact OE1-CD 3.32Å |
| 170 | N | 73.4 | Confident | 81.1 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 178.7 | -68.9 | -51.2 | 0 | 0 | 0 | 111.9 | D168 A173 Q174 P272 F273 H274 | D168-N170 VanDerWaalsContact C-N 3.28Å; D168-N170 PolarHBondContact O-N 3.03Å; D168-N170 VanDerWaalsContact OD1-CA 3.23Å; D168-N170 WeakPolarHBondContact OD1-CA 3.14Å; D168-N170 VanDerWaalsContact OD1-CB 3.24Å; D168-N170 WeakPolarHBondContact OD1-CB 3.48Å; D168-N170 PolarHBondContact OD1-N 2.85Å; N170-A173 PolarHBondContact O-N 3.11Å; N170-Q174 WeakPolarHBondContact O-CB 3.45Å; N170-Q174 PolarHBondContact O-N 3.46Å; N170-P272 PolarHBondContact OD1-O 2.8Å; N170-F273 WeakPolarHBondContact OD1-CA 3.42Å; N170-H274 PolarHBondContact OD1-N 3.29Å |
| 171 | Q | 80.7 | Confident | 79.2 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 175.9 | -74.4 | 173.3 | 21.2 | 0 | 0 | 110.5 | P130 D168 A173 Q174 C175 | P130-Q171 HydrophobicContact CG-CB 3.9Å; D168-Q171 VanDerWaalsContact CG-CG 3.48Å; D168-Q171 PolarHBondContact O-N 3.09Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.23Å; D168-Q171 PolarHBondContact OD1-N 3.39Å; D168-Q171 WeakPolarHBondContact OD2-CG 3.5Å; D168-Q171 PolarHBondContact OD2-NE2 2.98Å; Q171-A173 VanDerWaalsContact C-N 3.34Å; Q171-A173 PolarHBondContact O-N 2.97Å; Q171-Q174 PolarHBondContact O-N 2.87Å; Q171-C175 VanDerWaalsContact O-CB 3.3Å; Q171-C175 WeakPolarHBondContact O-CB 3.4Å; Q171-C175 PolarHBondContact O-N 3.23Å |
| 172 | L | 83.9 | Confident | 77 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.9 | -69.4 | 172.7 | 0 | 0 | 0 | 111.4 | P130 F164 F167 D168 C175 K176 L220 N235 I239 L271 | P130-L172 HydrophobicContact CB-CD2 4.37Å; P130-L172 HydrophobicContact CG-CD2 4.2Å; F164-L172 HydrophobicContact CE2-CD2 3.97Å; F164-L172 HydrophobicContact CZ-CD1 4.39Å; F164-L172 HydrophobicContact CZ-CD2 4.46Å; F167-L172 HydrophobicContact CB-CD1 4.18Å; F167-L172 HydrophobicContact CB-CD2 3.93Å; F167-L172 HydrophobicContact CB-CG 3.89Å; F167-L172 HydrophobicContact CD2-CD2 4.2Å; F167-L172 HydrophobicContact CG-CD2 4.39Å; D168-L172 WeakPolarHBondContact O-CG 3.43Å; D168-L172 PolarHBondContact O-N 2.92Å; D168-L172 VanDerWaalsContact O-N 3.12Å; L172-C175 PolarHBondContact O-N 3.14Å; L172-K176 WeakPolarHBondContact O-CB 2.98Å; L172-K176 PolarHBondContact O-N 3.15Å; L172-L220 HydrophobicContact CD2-CD1 4.41Å; L172-L220 HydrophobicContact CD2-CD2 4.25Å; L172-N235 HydrophobicContact CD1-CB 4.23Å; L172-I239 HydrophobicContact CD1-CD1 4.28Å; L172-I239 HydrophobicContact CD2-CD1 4.4Å; L172-L271 HydrophobicContact CB-CD1 3.62Å |
| 173 | A | 76.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q169 N170 Q171 R177 L271 F273 | Q169-A173 VanDerWaalsContact O-CB 3.27Å; Q169-A173 WeakPolarHBondContact O-CB 3.43Å; Q169-A173 PolarHBondContact O-N 3.38Å; N170-A173 PolarHBondContact O-N 3.11Å; Q171-A173 VanDerWaalsContact C-N 3.34Å; Q171-A173 PolarHBondContact O-N 2.97Å; A173-R177 PolarHBondContact O-N 3.1Å; A173-R177 VanDerWaalsContact O-N 3.09Å; A173-L271 HydrophobicContact CB-CB 3.82Å; A173-L271 HydrophobicContact CB-CD1 4.07Å; A173-F273 HydrophobicContact CB-CB 4.27Å; A173-F273 HydrophobicContact CB-CD2 3.62Å; A173-F273 HydrophobicContact CB-CE2 4.45Å; A173-F273 HydrophobicContact CB-CG 4.4Å |
| 174 | Q | 73 | Confident | 71.9 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.1 | -178.1 | 176 | -7.6 | 0 | 0 | 111.6 | N170 Q171 R177 R178 F273 | N170-Q174 WeakPolarHBondContact O-CB 3.45Å; N170-Q174 PolarHBondContact O-N 3.46Å; Q171-Q174 PolarHBondContact O-N 2.87Å; Q174-R177 PolarHBondContact O-N 3.38Å; Q174-R178 PolarHBondContact O-N 3.41Å; Q174-R178 VanDerWaalsContact O-N 3.1Å; Q174-F273 HydrophobicContact CB-CE2 4.09Å |
| 175 | C | 80.1 | Confident | 69 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.9 | -52.6 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | P130 F131 I134 Q171 L172 R177 R178 L179 | P130-C175 HydrophobicContact CB-CB 3.9Å; F131-C175 HydrophobicContact CE2-CB 4.28Å; F131-C175 HydrophobicContact CZ-CB 4.14Å; I134-C175 WeakPolarHBondContact CD1-SG 3.47Å; Q171-C175 VanDerWaalsContact O-CB 3.3Å; Q171-C175 WeakPolarHBondContact O-CB 3.4Å; Q171-C175 PolarHBondContact O-N 3.23Å; L172-C175 PolarHBondContact O-N 3.14Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 2.78Å; C175-R178 PolarHBondContact O-N 3.31Å; C175-L179 WeakPolarHBondContact O-CG 3.07Å; C175-L179 PolarHBondContact O-N 3.13Å; C175-L179 VanDerWaalsContact O-N 3.12Å |
| 176 | K | 78.8 | Confident | 66 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.5 | -42 | 177.2 | -177.3 | 170.9 | 170.3 | 171.5 | 0 | 112.4 | L172 N180 L220 C238 I239 | L172-K176 WeakPolarHBondContact O-CB 2.98Å; L172-K176 PolarHBondContact O-N 3.15Å; K176-N180 WeakPolarHBondContact O-CB 3.14Å; K176-N180 PolarHBondContact O-N 3.2Å; K176-N180 PolarHBondContact O-ND2 3.12Å; K176-L220 HydrophobicContact CB-CD2 4.11Å; K176-C238 PolarHBondContact NZ-O 2.85Å; K176-I239 PolarHBondContact NZ-O 3.32Å |
| 177 | R | 71 | Confident | 63.1 | Low | 141 Ų | 141 | 74.8 Ų | 74.8 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 177.2 | -86 | -172.9 | 175.2 | 148.2 | -2.1 | 113.2 | A173 Q174 C175 N180 G181 | A173-R177 PolarHBondContact O-N 3.1Å; A173-R177 VanDerWaalsContact O-N 3.09Å; Q174-R177 PolarHBondContact O-N 3.38Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 2.78Å; R177-N180 PolarHBondContact O-N 2.77Å; R177-G181 PolarHBondContact O-N 3.43Å |
| 178 | R | 67.5 | Low | 60 | Low | 127 Ų | 127 | 83.8 Ų | 83.8 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | -178 | -80.6 | -171 | 171.8 | 173.8 | -2.3 | 112 | F131 Q174 C175 G181 V182 | F131-R178 HydrophobicContact CE1-CB 4.17Å; F131-R178 HydrophobicContact CZ-CB 3.95Å; F131-R178 HydrophobicContact CZ-CG 4.26Å; Q174-R178 PolarHBondContact O-N 3.41Å; Q174-R178 VanDerWaalsContact O-N 3.1Å; C175-R178 PolarHBondContact O-N 3.31Å; R178-G181 PolarHBondContact O-N 3.45Å; R178-V182 PolarHBondContact O-N 2.9Å |
| 179 | L | 69 | Low | 57.4 | Low | 32 Ų | 32 | 86.6 Ų | 86.6 | 17% | 0.168 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 179.9 | -67.2 | 167.3 | 0 | 0 | 0 | 112.5 | I134 C175 G181 V182 C183 | I134-L179 HydrophobicContact CD1-CD1 3.36Å; C175-L179 WeakPolarHBondContact O-CG 3.07Å; C175-L179 PolarHBondContact O-N 3.13Å; C175-L179 VanDerWaalsContact O-N 3.12Å; L179-G181 VanDerWaalsContact C-N 3.27Å; L179-G181 PolarHBondContact O-N 2.92Å; L179-V182 PolarHBondContact O-N 3.48Å; L179-C183 PolarHBondContact O-N 3.31Å |
| 180 | N | 63.6 | Low | 54.6 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 176.1 | -73.8 | -3.1 | 0 | 0 | 0 | 112.5 | K176 R177 | K176-N180 WeakPolarHBondContact O-CB 3.14Å; K176-N180 PolarHBondContact O-N 3.2Å; K176-N180 PolarHBondContact O-ND2 3.12Å; R177-N180 PolarHBondContact O-N 2.77Å |
| 181 | G | 52 | Low | 52.3 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R177 R178 L179 S184 | R177-G181 PolarHBondContact O-N 3.43Å; R178-G181 PolarHBondContact O-N 3.45Å; L179-G181 VanDerWaalsContact C-N 3.27Å; L179-G181 PolarHBondContact O-N 2.92Å; G181-S184 PolarHBondContact O-OG 3.3Å |
| 182 | V | 46.3 | Very low | 49.6 | Very low | 110 Ų | 110 | 99.6 Ų | 99.6 | 67% | 0.667 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -76.1 | -34.8 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 112 | R178 L179 S184 N185 | R178-V182 PolarHBondContact O-N 2.9Å; L179-V182 PolarHBondContact O-N 3.48Å; V182-S184 PolarHBondContact O-N 2.98Å; V182-N185 PolarHBondContact O-N 3.29Å |
| 183 | C | 38.6 | Very low | 46.7 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | 0 | -179.6 | -72.4 | 0 | 0 | 0 | 0 | 115.3 | L179 N185 | L179-C183 PolarHBondContact O-N 3.31Å; C183-N185 PolarHBondContact O-N 3.45Å |
| 184 | S | 34.4 | Very low | 44.3 | Very low | 94 Ų | 94 | 107.7 Ų | 107.7 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -15.9 | 174.2 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | G181 V182 K186 | G181-S184 PolarHBondContact O-OG 3.3Å; V182-S184 PolarHBondContact O-N 2.98Å; S184-K186 PolarHBondContact O-N 3.07Å |
| 185 | N | 31.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 107.8 Ų | 107.8 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -92.7 | 94 | 170.4 | -77.5 | -10.3 | 0 | 0 | 0 | 110 | V182 C183 C187 | V182-N185 PolarHBondContact O-N 3.29Å; C183-N185 PolarHBondContact O-N 3.45Å; N185-C187 PolarHBondContact O-N 3.33Å |
| 186 | K | 25.3 | Very low | 39.2 | Very low | 192 Ų | 192 | 115.6 Ų | 115.6 | 84% | 0.835 | 65% | 0.653 | S | S | * | * | trans | -59.3 | 97.3 | 173.5 | -67.9 | 179.5 | 177 | -179.5 | 0 | 110.5 | S184 K188 | S184-K186 PolarHBondContact O-N 3.07Å; K186-K188 PolarHBondContact O-N 2.84Å | ||
| 187 | C | 25.8 | Very low | 36.7 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -72 | 103.9 | 151.2 | -83.5 | 0 | 0 | 0 | 0 | 106.8 | N185 V189 | N185-C187 PolarHBondContact O-N 3.33Å; C187-V189 PolarHBondContact O-N 3.06Å | ||
| 188 | K | 23.3 | Very low | 34.5 | Very low | 196 Ų | 196 | 116.5 Ų | 116.5 | 85% | 0.852 | 69% | 0.689 | S | S | * | * | trans | -65.8 | 87.5 | 167.7 | -71.2 | 179.5 | 176.3 | -179.5 | 0 | 107.7 | K186 S190 | K186-K188 PolarHBondContact O-N 2.84Å; K188-S190 PolarHBondContact O-N 3.04Å | ||
| 189 | V | 27.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -73.6 | 111.6 | 158 | -178.9 | 0 | 0 | 0 | 0 | 104.5 | C187 E191 | C187-V189 PolarHBondContact O-N 3.06Å; V189-E191 PolarHBondContact O-N 3.15Å | ||
| 190 | S | 23.8 | Very low | 30.4 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | trans | -61.3 | 121.4 | -179.2 | 72.3 | 0 | 0 | 0 | 0 | 108.4 | K188 K192 | K188-S190 PolarHBondContact O-N 3.04Å; S190-K192 PolarHBondContact O-N 2.93Å | ||
| 191 | E | 24.6 | Very low | 28.6 | Very low | 201 Ų | 201 | 119.2 Ų | 119.2 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | -68.4 | 67.5 | 165.2 | -67.4 | 177.4 | 161.1 | 0 | 0 | 108.2 | V189 G193 | V189-E191 PolarHBondContact O-N 3.15Å; E191-G193 PolarHBondContact O-N 3.38Å | ||
| 192 | K | 24.4 | Very low | 27.6 | Very low | 183 Ų | 183 | 121.8 Ų | 121.8 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -73.5 | 117.8 | 162.2 | -84.9 | -174.7 | 173.3 | -174.7 | 0 | 105.5 | S190 A194 | S190-K192 PolarHBondContact O-N 2.93Å; K192-A194 PolarHBondContact O-N 2.98Å | ||
| 193 | G | 23.4 | Very low | 26.8 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -49.3 | 111.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E191 G195 | E191-G193 PolarHBondContact O-N 3.38Å; G193-G195 PolarHBondContact O-N 3.17Å | ||
| 194 | A | 25.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -73.4 | 78.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | K192 | K192-A194 PolarHBondContact O-N 2.98Š| ||
| 195 | G | 23 | Very low | 27.9 | Very low | 56 Ų | 56 | 123.1 Ų | 123.1 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | -56.5 | 154.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G193 A197 | G193-G195 PolarHBondContact O-N 3.17Å; G195-A197 PolarHBondContact O-N 3.34Å | ||
| 196 | D | 24.3 | Very low | 29.1 | Very low | 164 Ų | 164 | 118.8 Ų | 118.8 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | trans | -53.1 | 73.3 | -173.1 | -68.1 | -47.9 | 0 | 0 | 0 | 113.9 | V198 | D196-V198 PolarHBondContact O-N 2.68Š| ||
| 197 | A | 24.8 | Very low | 30.6 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -72.3 | 82 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | G195 | G195-A197 PolarHBondContact O-N 3.34Š| ||
| 198 | V | 25.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | 7.9 | 125.1 | 137.1 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | D196 G200 | D196-V198 PolarHBondContact O-N 2.68Å; V198-G200 PolarHBondContact O-N 3.15Å | ||
| 199 | V | 26.6 | Very low | 34.1 | Very low | 161 Ų | 161 | 103.8 Ų | 103.8 | 98% | 0.976 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -53.1 | 9.5 | -177.9 | 174.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 200 | G | 23.2 | Very low | 35.7 | Very low | 63 Ų | 63 | 98.2 Ų | 98.2 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | trans | -114.7 | 80 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V198 | V198-G200 PolarHBondContact O-N 3.15Š| ||
| 201 | A | 26.2 | Very low | 37.2 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -175.3 | 138 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 202 | V | 30.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 92.4 Ų | 92.4 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | trans | 86.1 | 95.6 | 166.1 | -152 | 0 | 0 | 0 | 0 | 116.1 | D204 | V202-D204 HydrophobicContact CG1-CB 4.48Å; V202-D204 WeakPolarHBondContact CG1-OD1 3.47Å; V202-D204 PolarHBondContact O-N 2.83Å | ||
| 203 | T | 30.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 86.6 Ų | 86.6 | 87% | 0.871 | 57% | 0.571 | S | S | * | * | trans | -55.6 | 55.7 | 157.5 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | T205 | T203-T205 PolarHBondContact O-N 3.05Å; T203-T205 VanDerWaalsContact O-N 3.09Å | ||
| 204 | D | 41 | Very low | 41.5 | Very low | 81 Ų | 81 | 86.4 Ų | 86.4 | 43% | 0.433 | 56% | 0.558 | S | S | . | * | trans | -76.6 | 92 | 173.5 | -79.4 | -20 | 0 | 0 | 0 | 109.5 | V202 | V202-D204 HydrophobicContact CG1-CB 4.48Å; V202-D204 WeakPolarHBondContact CG1-OD1 3.47Å; V202-D204 PolarHBondContact O-N 2.83Å | ||
| 205 | T | 54.4 | Low | 43.3 | Very low | 87 Ų | 87 | 86.9 Ų | 86.9 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | trans | -64 | 154.9 | 171.3 | 52.1 | 0 | 0 | 0 | 0 | 111 | T203 Q207 S208 | T203-T205 PolarHBondContact O-N 3.05Å; T203-T205 VanDerWaalsContact O-N 3.09Å; T205-Q207 PolarHBondContact O-N 3.48Å; T205-S208 PolarHBondContact O-N 3Å; T205-S208 PolarHBondContact O-OG 3.42Å | ||
| 206 | L | 57 | Low | 45.8 | Very low | 49 Ų | 49 | 85.4 Ų | 85.4 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -50.7 | -31.9 | 177.1 | -70.9 | 169.2 | 0 | 0 | 0 | 113 | F111 S208 R209 L210 | F111-L206 HydrophobicContact CB-CD1 3.59Å; F111-L206 HydrophobicContact CB-CD2 4.31Å; F111-L206 HydrophobicContact CD1-CD1 4.34Å; F111-L206 HydrophobicContact CD1-CD2 3.63Å; F111-L206 HydrophobicContact CD2-CD2 4.1Å; F111-L206 HydrophobicContact CE1-CD2 3.92Å; F111-L206 HydrophobicContact CE2-CD2 4.38Å; F111-L206 HydrophobicContact CG-CD1 3.96Å; F111-L206 HydrophobicContact CG-CD2 3.73Å; F111-L206 HydrophobicContact CZ-CD2 4.3Å; L206-S208 PolarHBondContact O-N 2.98Å; L206-R209 PolarHBondContact O-N 3.02Å; L206-L210 PolarHBondContact O-N 2.81Å |
| 207 | Q | 58 | Low | 48.5 | Very low | 68 Ų | 68 | 83.9 Ų | 83.9 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 177.4 | -65.1 | -179.3 | -4.4 | 0 | 0 | 113 | D75 T205 R209 | D75-Q207 PolarHBondContact OD2-NE2 2.81Å; T205-Q207 PolarHBondContact O-N 3.48Å; Q207-R209 VanDerWaalsContact C-N 3.33Å; Q207-R209 PolarHBondContact O-N 3.47Å |
| 208 | S | 59.2 | Low | 51.2 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 36% | 0.357 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 177.5 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | T205 L206 V211 | T205-S208 PolarHBondContact O-N 3Å; T205-S208 PolarHBondContact O-OG 3.42Å; L206-S208 PolarHBondContact O-N 2.98Å; S208-V211 WeakPolarHBondContact O-CB 3.48Å; S208-V211 PolarHBondContact O-N 2.91Å |
| 209 | R | 61.9 | Low | 54 | Low | 71 Ų | 71 | 75.8 Ų | 75.8 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -79.9 | -19 | -175.7 | -64.3 | -177.6 | -178.9 | 172 | 0 | 114.2 | L143 S144 L206 Q207 V211 | L143-R209 WeakPolarHBondContact O-CD 3.47Å; L143-R209 PolarHBondContact O-NH1 3.45Å; S144-R209 PolarHBondContact O-NH1 3.42Å; L206-R209 PolarHBondContact O-N 3.02Å; Q207-R209 VanDerWaalsContact C-N 3.33Å; Q207-R209 PolarHBondContact O-N 3.47Å; R209-V211 PolarHBondContact O-N 3.15Å |
| 210 | L | 60.6 | Low | 56.8 | Low | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 170.2 | -77.2 | 167.8 | 0 | 0 | 0 | 111.6 | R67 I108 L143 L206 | R67-L210 HydrophobicContact CB-CB 4.4Å; R67-L210 WeakPolarHBondContact CD-O 3.38Å; R67-L210 PolarHBondContact NH1-O 3.1Å; I108-L210 HydrophobicContact CD1-CD2 3.75Å; I108-L210 HydrophobicContact CG1-CD2 4.29Å; L143-L210 HydrophobicContact CD2-CD2 3.72Å; L143-L210 HydrophobicContact CD2-CG 4.09Å; L206-L210 PolarHBondContact O-N 2.81Å |
| 211 | V | 55.9 | Low | 59.8 | Low | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71 | -54 | -177 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | P64 R67 K68 S208 R209 P213 | P64-V211 HydrophobicContact CB-CG1 3.77Å; R67-V211 PolarHBondContact NH1-O 2.74Å; K68-V211 HydrophobicContact CD-CG2 4.25Å; K68-V211 HydrophobicContact CG-CG2 3.49Å; K68-V211 VanDerWaalsContact CG-CG2 3.49Å; S208-V211 WeakPolarHBondContact O-CB 3.48Å; S208-V211 PolarHBondContact O-N 2.91Å; R209-V211 PolarHBondContact O-N 3.15Å; V211-P213 WeakPolarHBondContact O-CD 3.45Å |
| 212 | D | 52.5 | Low | 62.7 | Low | 140 Ų | 140 | 69.4 Ų | 69.4 | 75% | 0.749 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -124.7 | 76.3 | -175.4 | -75.9 | -38.4 | 0 | 0 | 0 | 113.2 | S214 | D212-S214 PolarHBondContact O-N 2.93Š|
| 213 | P | 54 | Low | 65.5 | Low | 60 Ų | 60 | 64.4 Ų | 64.4 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | trans | -69.7 | 116.5 | 175.3 | 26.6 | -32.2 | 0 | 0 | 0 | 110.8 | S142 V211 P215 | S142-P213 VanDerWaalsContact OG-CA 3.32Å; S142-P213 WeakPolarHBondContact OG-CA 3.44Å; S142-P213 WeakPolarHBondContact OG-CB 3.37Å; V211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-P215 WeakPolarHBondContact O-CD 3.35Å | ||
| 214 | S | 56.8 | Low | 68.2 | Low | 73 Ų | 73 | 57.8 Ų | 57.8 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | trans | -62.7 | 123.5 | 167.6 | 65.2 | 0 | 0 | 0 | 0 | 109.1 | S142 D212 I216 | S142-S214 PolarHBondContact OG-O 3.02Å; D212-S214 PolarHBondContact O-N 2.93Å; S214-I216 PolarHBondContact O-N 3.31Å | ||
| 215 | P | 62.4 | Low | 70.5 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | trans | -68 | 112 | -174.8 | 24.5 | -32.2 | 0 | 0 | 0 | 110.8 | P213 | P213-P215 WeakPolarHBondContact O-CD 3.35Š| ||
| 216 | I | 75.5 | Confident | 72 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | trans | -103.1 | 128.3 | 174.1 | -63.7 | 168.4 | 0 | 0 | 0 | 108.1 | E138 A141 P147 S214 F218 | E138-I216 WeakPolarHBondContact CB-O 3.38Å; E138-I216 WeakPolarHBondContact CG-O 3.34Å; A141-I216 HydrophobicContact CB-CB 4.35Å; A141-I216 HydrophobicContact CB-CD1 3.69Å; A141-I216 HydrophobicContact CB-CG2 4.02Å; A141-I216 WeakPolarHBondContact O-CD1 3.29Å; P147-I216 HydrophobicContact CB-CD1 4.05Å; S214-I216 PolarHBondContact O-N 3.31Å; I216-F218 HydrophobicContact CG2-CD2 4.45Å; I216-F218 HydrophobicContact CG2-CE1 4.02Å; I216-F218 HydrophobicContact CG2-CE2 3.81Å; I216-F218 HydrophobicContact CG2-CZ 3.56Å | ||
| 217 | H | 80.8 | Confident | 73.6 | Confident | 132 Ų | 132 | 57 Ų | 57 | 61% | 0.611 | 29% | 0.292 | S | S | * | . | trans | -115.3 | 136.3 | 176 | -69.9 | -55.3 | 0 | 0 | 0 | 112.5 | E138 | E138-H217 VanDerWaalsContact OE1-CA 3.26Å; E138-H217 WeakPolarHBondContact OE1-CA 3.49Å; E138-H217 IonicContact OE1-ND1 3.51Å; E138-H217 PolarHBondContact OE1-ND1 2.84Å; E138-H217 IonicContact OE2-ND1 3.96Å | ||
| 218 | F | 83.2 | Confident | 75 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | trans | -114.3 | 134.5 | 175.9 | -67 | -59.2 | 0 | 0 | 0 | 112.2 | I134 A137 E138 A141 L149 I216 K222 L223 K226 | I134-F218 HydrophobicContact CG2-CB 4.32Å; A137-F218 HydrophobicContact CB-CD2 4.1Å; A137-F218 HydrophobicContact CB-CE2 4.31Å; A137-F218 WeakPolarHBondContact O-CE2 3.39Å; E138-F218 HydrophobicContact CG-CD2 3.66Å; E138-F218 HydrophobicContact CG-CE2 4.34Å; E138-F218 HydrophobicContact CG-CG 4.47Å; E138-F218 PolarHBondContact OE1-N 3.15Å; A141-F218 HydrophobicContact CB-CE2 3.65Å; A141-F218 HydrophobicContact CB-CZ 3.71Å; L149-F218 HydrophobicContact CD1-CE2 4.12Å; L149-F218 HydrophobicContact CD1-CZ 4Å; L149-F218 HydrophobicContact CG-CZ 4.11Å; I216-F218 HydrophobicContact CG2-CD2 4.45Å; I216-F218 HydrophobicContact CG2-CE1 4.02Å; I216-F218 HydrophobicContact CG2-CE2 3.81Å; I216-F218 HydrophobicContact CG2-CZ 3.56Å; F218-K222 HydrophobicContact CD1-CD 3.89Å; F218-K222 HydrophobicContact CD1-CG 4.13Å; F218-K222 HydrophobicContact CE1-CD 4.41Å; F218-L223 HydrophobicContact CB-CD1 3.54Å; F218-L223 HydrophobicContact CB-CD2 4.33Å; F218-L223 HydrophobicContact CB-CG 3.66Å; F218-L223 HydrophobicContact CD1-CG 4.48Å; F218-L223 HydrophobicContact CD2-CD1 4.29Å; F218-L223 HydrophobicContact CD2-CD2 4.01Å; F218-L223 HydrophobicContact CD2-CG 4.27Å; F218-L223 HydrophobicContact CG-CD1 4.11Å; F218-L223 HydrophobicContact CG-CD2 4.03Å; F218-L223 HydrophobicContact CG-CG 3.89Å; F218-K226 HydrophobicContact CE1-CD 4.34Å | ||
| 219 | T | 83.7 | Confident | 76.5 | Confident | 45 Ų | 45 | 59 Ų | 59 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | trans | -81.5 | 150.3 | 161.5 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | K221 K222 L223 | T219-K221 PolarHBondContact O-N 2.95Å; T219-K222 WeakPolarHBondContact O-CA 3.3Å; T219-K222 WeakPolarHBondContact O-CB 3.02Å; T219-K222 PolarHBondContact O-N 3.43Å; T219-K222 WeakPolarHBondContact OG1-CB 3.14Å; T219-K222 PolarHBondContact OG1-N 3.29Å; T219-L223 PolarHBondContact O-N 2.83Å; T219-L223 VanDerWaalsContact O-N 3.09Å | ||
| 220 | L | 84.5 | Confident | 77.7 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -52.6 | -40.3 | 175.9 | -169.6 | 65.8 | 0 | 0 | 0 | 111.8 | W133 I134 F164 L172 K176 K222 L223 V224 I239 | W133-L220 HydrophobicContact CE3-CD1 4.46Å; W133-L220 HydrophobicContact CZ3-CD1 4Å; I134-L220 HydrophobicContact CD1-CD1 4.24Å; F164-L220 HydrophobicContact CE2-CD1 4.43Å; L172-L220 HydrophobicContact CD2-CD1 4.41Å; L172-L220 HydrophobicContact CD2-CD2 4.25Å; K176-L220 HydrophobicContact CB-CD2 4.11Å; L220-K222 PolarHBondContact O-N 3.18Å; L220-L223 PolarHBondContact O-N 3.02Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.39Å; L220-I239 HydrophobicContact CB-CG2 4.37Å; L220-I239 HydrophobicContact CD2-CD1 3.66Å; L220-I239 HydrophobicContact CD2-CG1 3.8Å; L220-I239 HydrophobicContact CD2-CG2 4.1Å; L220-I239 HydrophobicContact CG-CD1 4.14Å; L220-I239 HydrophobicContact CG-CG1 4.42Å; L220-I239 HydrophobicContact CG-CG2 3.9Å |
| 221 | K | 87.4 | Confident | 78.9 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 175.5 | 178.3 | 168.5 | 175.8 | 167.2 | 0 | 113 | T219 R225 I239 L240 | T219-K221 PolarHBondContact O-N 2.95Å; K221-R225 VanDerWaalsContact CE-NH2 3.27Å; K221-R225 WeakPolarHBondContact O-CG 3.43Å; K221-R225 PolarHBondContact O-N 2.96Å; K221-I239 HydrophobicContact CB-CG2 4.38Å; K221-L240 VanDerWaalsContact CE-O 3.24Å; K221-L240 WeakPolarHBondContact CE-O 3.42Å; K221-L240 HydrophobicContact CG-CD2 4.17Å; K221-L240 PolarHBondContact NZ-O 3.02Å |
| 222 | K | 86.7 | Confident | 80.4 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 178.6 | -173.1 | 169.9 | 173.6 | -172.8 | 0 | 110.8 | F218 T219 L220 K226 | F218-K222 HydrophobicContact CD1-CD 3.89Å; F218-K222 HydrophobicContact CD1-CG 4.13Å; F218-K222 HydrophobicContact CE1-CD 4.41Å; T219-K222 WeakPolarHBondContact O-CA 3.3Å; T219-K222 WeakPolarHBondContact O-CB 3.02Å; T219-K222 PolarHBondContact O-N 3.43Å; T219-K222 WeakPolarHBondContact OG1-CB 3.14Å; T219-K222 PolarHBondContact OG1-N 3.29Å; L220-K222 PolarHBondContact O-N 3.18Å; K222-K226 HydrophobicContact CG-CD 4.17Å; K222-K226 VanDerWaalsContact O-CG 3.25Å; K222-K226 WeakPolarHBondContact O-CG 3.39Å; K222-K226 PolarHBondContact O-N 3.45Å; K222-K226 VanDerWaalsContact O-N 3.16Å |
| 223 | L | 88.5 | Confident | 82 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 177.9 | -80.4 | 164.2 | 0 | 0 | 0 | 113.1 | W133 I134 A137 L149 F218 T219 L220 R225 K226 L227 | W133-L223 HydrophobicContact CE3-CD1 4.28Å; W133-L223 HydrophobicContact CH2-CB 3.8Å; W133-L223 HydrophobicContact CZ3-CB 3.72Å; W133-L223 HydrophobicContact CZ3-CD1 3.83Å; W133-L223 HydrophobicContact CZ3-CG 4.36Å; I134-L223 HydrophobicContact CB-CD1 4.14Å; I134-L223 HydrophobicContact CG1-CD1 3.73Å; I134-L223 HydrophobicContact CG2-CD1 4.02Å; A137-L223 HydrophobicContact CB-CD1 4.08Å; A137-L223 HydrophobicContact CB-CD2 3.54Å; A137-L223 HydrophobicContact CB-CG 4.47Å; L149-L223 HydrophobicContact CD1-CD2 3.87Å; F218-L223 HydrophobicContact CB-CD1 3.54Å; F218-L223 HydrophobicContact CB-CD2 4.33Å; F218-L223 HydrophobicContact CB-CG 3.66Å; F218-L223 HydrophobicContact CD1-CG 4.48Å; F218-L223 HydrophobicContact CD2-CD1 4.29Å; F218-L223 HydrophobicContact CD2-CD2 4.01Å; F218-L223 HydrophobicContact CD2-CG 4.27Å; F218-L223 HydrophobicContact CG-CD1 4.11Å; F218-L223 HydrophobicContact CG-CD2 4.03Å; F218-L223 HydrophobicContact CG-CG 3.89Å; T219-L223 PolarHBondContact O-N 2.83Å; T219-L223 VanDerWaalsContact O-N 3.09Å; L220-L223 PolarHBondContact O-N 3.02Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 3.11Å; L223-K226 PolarHBondContact O-N 3.33Å; L223-K226 VanDerWaalsContact O-N 3.1Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.13Å; L223-L227 PolarHBondContact O-N 2.79Å |
| 224 | V | 88.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -43.2 | 176.3 | 167 | 0 | 0 | 0 | 0 | 111.6 | F164 L220 H228 I229 V236 I239 L240 | F164-V224 HydrophobicContact CE2-CG2 3.87Å; F164-V224 HydrophobicContact CZ-CG2 3.95Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.39Å; V224-H228 PolarHBondContact O-N 3.22Å; V224-I229 HydrophobicContact CG1-CB 4.37Å; V224-I229 PolarHBondContact O-N 3.29Å; V224-V236 HydrophobicContact CG1-CG1 3.93Å; V224-I239 HydrophobicContact CG2-CG2 4.04Å; V224-L240 HydrophobicContact CG1-CD2 4.04Å; V224-L240 HydrophobicContact CG1-CG 4.25Å |
| 225 | R | 89.2 | Confident | 85.1 | Confident | 152 Ų | 152 | 53.5 Ų | 53.5 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 176.5 | -74.2 | 179.5 | 173.8 | -178.9 | -6.6 | 112.9 | K221 L223 H228 L240 | K221-R225 VanDerWaalsContact CE-NH2 3.27Å; K221-R225 WeakPolarHBondContact O-CG 3.43Å; K221-R225 PolarHBondContact O-N 2.96Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 3.11Å; R225-H228 PolarHBondContact O-N 3.21Å; R225-L240 HydrophobicContact CG-CD2 3.64Å |
| 226 | K | 86.9 | Confident | 86.3 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -35.4 | -176.7 | -75.8 | 172.6 | 157.6 | -139.1 | 0 | 113.6 | P147 K148 L149 F218 K222 L223 H228 | P147-K226 PolarHBondContact O-NZ 2.74Å; K148-K226 VanDerWaalsContact C-NZ 3.27Å; K148-K226 PolarHBondContact O-NZ 3.37Å; K148-K226 VanDerWaalsContact O-NZ 3.08Å; L149-K226 HydrophobicContact CD1-CD 4.27Å; F218-K226 HydrophobicContact CE1-CD 4.34Å; K222-K226 HydrophobicContact CG-CD 4.17Å; K222-K226 VanDerWaalsContact O-CG 3.25Å; K222-K226 WeakPolarHBondContact O-CG 3.39Å; K222-K226 PolarHBondContact O-N 3.45Å; K222-K226 VanDerWaalsContact O-N 3.16Å; L223-K226 PolarHBondContact O-N 3.33Å; L223-K226 VanDerWaalsContact O-N 3.1Å; K226-H228 VanDerWaalsContact C-N 3.29Å; K226-H228 PolarHBondContact O-CD2 2.91Å |
| 227 | L | 88.6 | Confident | 86.9 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85.8 | -4.1 | 179.3 | -64 | 176.7 | 0 | 0 | 0 | 112.7 | W133 M152 R157 M160 V161 L223 I229 | W133-L227 HydrophobicContact CH2-CD1 3.7Å; W133-L227 HydrophobicContact CZ2-CD1 3.37Å; M152-L227 HydrophobicContact CE-CD2 3.24Å; M152-L227 HydrophobicContact SD-CD2 4.19Å; R157-L227 HydrophobicContact CG-CD2 4.3Å; M160-L227 HydrophobicContact CB-CD1 4.12Å; M160-L227 HydrophobicContact CE-CD1 3.78Å; M160-L227 HydrophobicContact SD-CD1 4.23Å; M160-L227 HydrophobicContact SD-CD2 4.48Å; V161-L227 HydrophobicContact CG2-CB 4.3Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.13Å; L223-L227 PolarHBondContact O-N 2.79Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 HydrophobicContact CB-CD1 3.96Å; L227-I229 HydrophobicContact CB-CG1 3.82Å; L227-I229 HydrophobicContact CD1-CD1 4.11Å; L227-I229 PolarHBondContact O-N 3.27Å |
| 228 | H | 88.9 | Confident | 87.2 | Confident | 150 Ų | 150 | 42.7 Ų | 42.7 | 69% | 0.694 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 42.6 | -177.6 | -60.2 | -85.6 | 0 | 0 | 0 | 113.1 | V224 R225 K226 S230 | V224-H228 PolarHBondContact O-N 3.22Å; R225-H228 PolarHBondContact O-N 3.21Å; K226-H228 VanDerWaalsContact C-N 3.29Å; K226-H228 PolarHBondContact O-CD2 2.91Å; H228-S230 PolarHBondContact O-N 2.85Å |
| 229 | I | 90.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | trans | -76.3 | 122.5 | 180 | -60.2 | 169.1 | 0 | 0 | 0 | 109.2 | W133 V161 F164 V224 L227 N231 V236 | W133-I229 HydrophobicContact CH2-CD1 3.91Å; W133-I229 HydrophobicContact CZ2-CD1 3.72Å; V161-I229 HydrophobicContact CG1-CG1 4.42Å; V161-I229 HydrophobicContact CG2-CG1 4Å; F164-I229 HydrophobicContact CB-CD1 4.01Å; F164-I229 HydrophobicContact CD1-CD1 4.33Å; F164-I229 HydrophobicContact CD1-CG2 3.54Å; F164-I229 HydrophobicContact CD2-CD1 4.03Å; F164-I229 HydrophobicContact CE1-CG2 3.81Å; F164-I229 HydrophobicContact CG-CD1 3.87Å; F164-I229 HydrophobicContact CG-CG2 4.15Å; V224-I229 HydrophobicContact CG1-CB 4.37Å; V224-I229 PolarHBondContact O-N 3.29Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 HydrophobicContact CB-CD1 3.96Å; L227-I229 HydrophobicContact CB-CG1 3.82Å; L227-I229 HydrophobicContact CD1-CD1 4.11Å; L227-I229 PolarHBondContact O-N 3.27Å; I229-N231 WeakPolarHBondContact CG2-O 3.43Å; I229-V236 HydrophobicContact CG2-CG2 3.85Å; I229-V236 WeakPolarHBondContact O-CG1 3.3Å | ||
| 230 | S | 86.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | trans | -107.6 | -24.2 | 176.9 | 62.3 | 0 | 0 | 0 | 0 | 114 | H228 A233 | H228-S230 PolarHBondContact O-N 2.85Å; S230-A233 WeakPolarHBondContact O-CA 3.33Å | ||
| 231 | N | 86.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | trans | -117.7 | 146.9 | -173.5 | -63.5 | -9.8 | 0 | 0 | 0 | 111.7 | I229 | I229-N231 WeakPolarHBondContact CG2-O 3.43Š| ||
| 232 | P | 87.9 | Confident | 87.4 | Confident | 31 Ų | 31 | 45 Ų | 45 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | S | Bend | cis | -69.6 | 137.1 | -13.7 | 27.7 | -32.5 | 0 | 0 | 0 | 111.2 | L234 N235 V236 | P232-L234 VanDerWaalsContact C-N 3.33Å; P232-L234 PolarHBondContact O-N 2.92Å; P232-N235 HydrophobicContact CG-CB 3.99Å; P232-N235 WeakPolarHBondContact CG-ND2 3.31Å; P232-N235 PolarHBondContact O-N 3.36Å; P232-N235 VanDerWaalsContact O-N 3.16Å; P232-V236 WeakPolarHBondContact O-CG2 2.95Å; P232-V236 PolarHBondContact O-N 2.96Å; P232-V236 VanDerWaalsContact O-N 3.16Å |
| 233 | A | 86.2 | Confident | 87.5 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S230 N235 V236 M237 R255 L256 | S230-A233 WeakPolarHBondContact O-CA 3.33Å; A233-N235 PolarHBondContact O-N 3.32Å; A233-V236 PolarHBondContact O-N 3.49Å; A233-M237 WeakPolarHBondContact O-CB 3.45Å; A233-M237 WeakPolarHBondContact O-CG 3.38Å; A233-M237 PolarHBondContact O-N 3.33Å; A233-R255 VanDerWaalsContact CB-O 3.26Å; A233-R255 WeakPolarHBondContact CB-O 3.37Å; A233-L256 HydrophobicContact CB-CD2 4.17Å |
| 234 | L | 86.8 | Confident | 87.5 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.3 | -49.1 | 178.5 | -178.3 | 65 | 0 | 0 | 0 | 111.7 | P232 M237 C238 L256 M269 | P232-L234 VanDerWaalsContact C-N 3.33Å; P232-L234 PolarHBondContact O-N 2.92Å; L234-M237 PolarHBondContact O-N 3.48Å; L234-C238 WeakPolarHBondContact O-CB 3.23Å; L234-C238 PolarHBondContact O-N 3.23Å; L234-C238 PolarHBondContact O-SG 3.14Å; L234-L256 HydrophobicContact CB-CD2 4.33Å; L234-L256 HydrophobicContact CD1-CD2 4.41Å; L234-M269 HydrophobicContact CD1-SD 4.43Å |
| 235 | N | 88.7 | Confident | 87.5 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | -178.2 | -64.6 | 0.4 | 0 | 0 | 0 | 111 | Q169 L172 P232 A233 C238 I239 L271 | Q169-N235 VanDerWaalsContact CG-OD1 3.3Å; Q169-N235 WeakPolarHBondContact CG-OD1 3.48Å; Q169-N235 PolarHBondContact NE2-OD1 2.91Å; Q169-N235 VanDerWaalsContact NE2-OD1 3.11Å; L172-N235 HydrophobicContact CD1-CB 4.23Å; P232-N235 HydrophobicContact CG-CB 3.99Å; P232-N235 WeakPolarHBondContact CG-ND2 3.31Å; P232-N235 PolarHBondContact O-N 3.36Å; P232-N235 VanDerWaalsContact O-N 3.16Å; A233-N235 PolarHBondContact O-N 3.32Å; N235-C238 PolarHBondContact O-N 3.05Å; N235-I239 WeakPolarHBondContact O-CB 3.49Å; N235-I239 WeakPolarHBondContact O-CD1 3.24Å; N235-I239 VanDerWaalsContact O-CG1 3.25Å; N235-I239 WeakPolarHBondContact O-CG1 3.33Å; N235-I239 PolarHBondContact O-N 3.25Å; N235-L271 HydrophobicContact CB-CD2 4.21Å |
| 236 | V | 88 | Confident | 87.4 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 179 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | F164 V224 I229 P232 A233 C238 I239 L240 | F164-V236 HydrophobicContact CE1-CG2 3.97Å; V224-V236 HydrophobicContact CG1-CG1 3.93Å; I229-V236 HydrophobicContact CG2-CG2 3.85Å; I229-V236 WeakPolarHBondContact O-CG1 3.3Å; P232-V236 WeakPolarHBondContact O-CG2 2.95Å; P232-V236 PolarHBondContact O-N 2.96Å; P232-V236 VanDerWaalsContact O-N 3.16Å; A233-V236 PolarHBondContact O-N 3.49Å; V236-C238 PolarHBondContact O-N 2.83Å; V236-I239 PolarHBondContact O-N 3.15Å; V236-I239 VanDerWaalsContact O-N 3.16Å; V236-L240 HydrophobicContact CG1-CD1 3.77Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 WeakPolarHBondContact O-CB 3.46Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.42Å |
| 237 | M | 87.3 | Confident | 87.4 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | -179.6 | -65.6 | -57.3 | 173.4 | 0 | 0 | 112.2 | A233 L234 I239 L240 G241 K242 M254 L256 M269 | A233-M237 WeakPolarHBondContact O-CB 3.45Å; A233-M237 WeakPolarHBondContact O-CG 3.38Å; A233-M237 PolarHBondContact O-N 3.33Å; L234-M237 PolarHBondContact O-N 3.48Å; M237-I239 VanDerWaalsContact C-N 3.31Å; M237-I239 PolarHBondContact O-N 2.98Å; M237-L240 PolarHBondContact O-N 3.47Å; M237-G241 PolarHBondContact O-N 3.39Å; M237-K242 HydrophobicContact CB-CB 4.33Å; M237-K242 PolarHBondContact O-N 3.5Å; M237-K242 VanDerWaalsContact O-N 3.08Å; M237-K242 HydrophobicContact SD-CB 4.06Å; M237-K242 HydrophobicContact SD-CG 3.82Å; M237-M254 HydrophobicContact CE-CE 3.45Å; M237-M254 VanDerWaalsContact CE-CE 3.45Å; M237-M254 HydrophobicContact CG-CE 3.89Å; M237-M254 HydrophobicContact SD-CE 3.46Å; M237-M254 WeakPolarHBondContact SD-CE 3.41Å; M237-L256 HydrophobicContact CG-CD2 4.43Å; M237-M269 HydrophobicContact CB-CE 3.44Å; M237-M269 VanDerWaalsContact CB-CE 3.44Å; M237-M269 HydrophobicContact CB-SD 3.94Å; M237-M269 HydrophobicContact CG-CE 3.95Å |
| 238 | C | 86.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | 173.6 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | K176 L234 N235 V236 L271 | K176-C238 PolarHBondContact NZ-O 2.85Å; L234-C238 WeakPolarHBondContact O-CB 3.23Å; L234-C238 PolarHBondContact O-N 3.23Å; L234-C238 PolarHBondContact O-SG 3.14Å; N235-C238 PolarHBondContact O-N 3.05Å; V236-C238 PolarHBondContact O-N 2.83Å; C238-L271 HydrophobicContact CB-CB 4.44Å; C238-L271 HydrophobicContact CB-CD2 3.78Å; C238-L271 HydrophobicContact CB-CG 3.63Å |
| 239 | I | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.9 | -46.9 | 178.1 | -72.5 | 162.4 | 0 | 0 | 0 | 110.7 | F164 L172 K176 L220 K221 V224 N235 V236 M237 G241 L271 | F164-I239 HydrophobicContact CE2-CD1 4.05Å; F164-I239 HydrophobicContact CZ-CD1 3.56Å; L172-I239 HydrophobicContact CD1-CD1 4.28Å; L172-I239 HydrophobicContact CD2-CD1 4.4Å; K176-I239 PolarHBondContact NZ-O 3.32Å; L220-I239 HydrophobicContact CB-CG2 4.37Å; L220-I239 HydrophobicContact CD2-CD1 3.66Å; L220-I239 HydrophobicContact CD2-CG1 3.8Å; L220-I239 HydrophobicContact CD2-CG2 4.1Å; L220-I239 HydrophobicContact CG-CD1 4.14Å; L220-I239 HydrophobicContact CG-CG1 4.42Å; L220-I239 HydrophobicContact CG-CG2 3.9Å; K221-I239 HydrophobicContact CB-CG2 4.38Å; V224-I239 HydrophobicContact CG2-CG2 4.04Å; N235-I239 WeakPolarHBondContact O-CB 3.49Å; N235-I239 WeakPolarHBondContact O-CD1 3.24Å; N235-I239 VanDerWaalsContact O-CG1 3.25Å; N235-I239 WeakPolarHBondContact O-CG1 3.33Å; N235-I239 PolarHBondContact O-N 3.25Å; V236-I239 PolarHBondContact O-N 3.15Å; V236-I239 VanDerWaalsContact O-N 3.16Å; M237-I239 VanDerWaalsContact C-N 3.31Å; M237-I239 PolarHBondContact O-N 2.98Å; I239-G241 PolarHBondContact O-N 3.02Å; I239-L271 HydrophobicContact CD1-CD1 4.47Å; I239-L271 HydrophobicContact CG1-CD1 4Å |
| 240 | L | 86.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -25.4 | 177.7 | -67.5 | 179 | 0 | 0 | 0 | 112.7 | K221 V224 R225 V236 M237 K242 | K221-L240 VanDerWaalsContact CE-O 3.24Å; K221-L240 WeakPolarHBondContact CE-O 3.42Å; K221-L240 HydrophobicContact CG-CD2 4.17Å; K221-L240 PolarHBondContact NZ-O 3.02Å; V224-L240 HydrophobicContact CG1-CD2 4.04Å; V224-L240 HydrophobicContact CG1-CG 4.25Å; R225-L240 HydrophobicContact CG-CD2 3.64Å; V236-L240 HydrophobicContact CG1-CD1 3.77Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 WeakPolarHBondContact O-CB 3.46Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.42Å; M237-L240 PolarHBondContact O-N 3.47Å; L240-K242 HydrophobicContact CB-CG 4.26Å |
| 241 | G | 83.2 | Confident | 86.9 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 44.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | M237 I239 | M237-G241 PolarHBondContact O-N 3.39Å; I239-G241 PolarHBondContact O-N 3.02Å |
| 242 | K | 88.4 | Confident | 86.7 | Confident | 114 Ų | 114 | 42.8 Ų | 42.8 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 148.3 | 174.7 | -69.4 | -71.3 | -170.3 | 169.7 | 0 | 110.3 | M237 L240 M269 | M237-K242 HydrophobicContact CB-CB 4.33Å; M237-K242 PolarHBondContact O-N 3.5Å; M237-K242 VanDerWaalsContact O-N 3.08Å; M237-K242 HydrophobicContact SD-CB 4.06Å; M237-K242 HydrophobicContact SD-CG 3.82Å; L240-K242 HydrophobicContact CB-CG 4.26Å; K242-M269 HydrophobicContact CB-CE 4.18Å; K242-M269 WeakPolarHBondContact O-CB 3.47Å; K242-M269 PolarHBondContact O-N 3.4Å |
| 243 | S | 87.9 | Confident | 86.5 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 47% | 0.469 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 147 | 171.3 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | G266 M269 | S243-G266 WeakPolarHBondContact CB-O 3.36Å; S243-M269 VanDerWaalsContact O-CE 3.25Å; S243-M269 WeakPolarHBondContact O-CE 3.41Å |
| 244 | Y | 89.1 | Confident | 86.4 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.8 | 171 | -167.9 | -92.7 | 0 | 0 | 0 | 109 | F251 W260 D261 K264 G266 V267 M269 | Y244-F251 HydrophobicContact CE1-CD2 4.26Å; Y244-F251 HydrophobicContact CE2-CD2 4.15Å; Y244-F251 AromaticContact CE2-CE2 3.81Å; Y244-F251 HydrophobicContact CE2-CE2 3.81Å; Y244-F251 AromaticContact CZ-CD2 3.74Å; Y244-F251 AromaticContact CZ-CE2 3.61Å; Y244-F251 WeakPolarHBondContact OH-CE2 3.38Å; Y244-W260 AromaticContact CE1-CD1 3.68Å; Y244-W260 AromaticContact CE1-NE1 3.85Å; Y244-D261 VanDerWaalsContact CE1-O 3.31Å; Y244-D261 WeakPolarHBondContact CE1-O 3.18Å; Y244-D261 PolarHBondContact OH-N 2.87Å; Y244-K264 VanDerWaalsContact CB-O 3.26Å; Y244-K264 WeakPolarHBondContact CB-O 3.45Å; Y244-K264 HydrophobicContact CD1-CB 3.58Å; Y244-K264 HydrophobicContact CD2-CB 4.23Å; Y244-K264 HydrophobicContact CE1-CB 3.81Å; Y244-K264 HydrophobicContact CE2-CB 4.44Å; Y244-K264 HydrophobicContact CE2-CD 4.41Å; Y244-K264 HydrophobicContact CG-CB 3.8Å; Y244-G266 PolarHBondContact O-N 3Å; Y244-V267 WeakPolarHBondContact CB-O 3.4Å; Y244-V267 PolarHBondContact N-O 3.43Å; Y244-M269 HydrophobicContact CD2-CG 4.04Å; Y244-M269 HydrophobicContact CD2-SD 4.08Å |
| 245 | P | 88.7 | Confident | 86.1 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.9 | -171.2 | -15.2 | 27.5 | 0 | 0 | 0 | 112.4 | T250 F251 M254 L256 W260 | P245-T250 WeakPolarHBondContact CB-OG1 3.39Å; P245-F251 HydrophobicContact CB-CB 3.97Å; P245-F251 HydrophobicContact CG-CB 3.88Å; P245-F251 HydrophobicContact CG-CD2 3.94Å; P245-F251 HydrophobicContact CG-CG 4.37Å; P245-M254 HydrophobicContact CB-SD 4.39Å; P245-M254 HydrophobicContact CG-SD 3.75Å; P245-L256 HydrophobicContact CG-CD1 3.68Å; P245-W260 PolarHBondContact O-NE1 3.39Å |
| 246 | N | 86.3 | Confident | 85.8 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -77.2 | -24.8 | -178.6 | -70.1 | -10.4 | 0 | 0 | 0 | 113.2 | W260 G266 | N246-W260 WeakPolarHBondContact O-CZ2 3.36Å; N246-G266 WeakPolarHBondContact OD1-CA 3.41Å; N246-G266 PolarHBondContact OD1-N 2.75Å |
| 247 | D | 87.4 | Confident | 85.3 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.7 | 146.3 | -176.7 | -52.4 | -48.2 | 0 | 0 | 0 | 110.2 | T249 T250 F251 | D247-T249 PolarHBondContact O-N 3.45Å; D247-T250 HydrophobicContact CB-CG2 4.36Å; D247-T250 PolarHBondContact N-OG1 3.32Å; D247-T250 PolarHBondContact O-N 3.48Å; D247-T250 PolarHBondContact O-OG1 3.01Å; D247-F251 PolarHBondContact O-N 3.19Å |
| 248 | A | 83.6 | Confident | 85 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.3 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T250 F251 S252 W260 | A248-T250 PolarHBondContact O-N 2.9Å; A248-F251 WeakPolarHBondContact O-CB 3.39Å; A248-F251 PolarHBondContact O-N 2.97Å; A248-S252 PolarHBondContact O-N 2.88Å; A248-S252 PolarHBondContact O-OG 3.38Å; A248-W260 HydrophobicContact CB-CB 4.1Å; A248-W260 HydrophobicContact CB-CD2 3.94Å; A248-W260 HydrophobicContact CB-CE3 3.89Å; A248-W260 HydrophobicContact CB-CG 4.05Å |
| 249 | T | 85.9 | Confident | 84.8 | Confident | 91 Ų | 91 | 74 Ų | 74 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 177.3 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | D247 K253 | D247-T249 PolarHBondContact O-N 3.45Å; T249-K253 WeakPolarHBondContact O-CG 3.43Å; T249-K253 PolarHBondContact O-N 3.11Å; T249-K253 VanDerWaalsContact O-N 3.13Å |
| 250 | T | 86.8 | Confident | 84.8 | Confident | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.8 | -34.3 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | P245 D247 A248 K253 M254 | P245-T250 WeakPolarHBondContact CB-OG1 3.39Å; D247-T250 HydrophobicContact CB-CG2 4.36Å; D247-T250 PolarHBondContact N-OG1 3.32Å; D247-T250 PolarHBondContact O-N 3.48Å; D247-T250 PolarHBondContact O-OG1 3.01Å; A248-T250 PolarHBondContact O-N 2.9Å; T250-K253 PolarHBondContact O-N 3.24Å; T250-M254 WeakPolarHBondContact O-CG 3.41Å; T250-M254 PolarHBondContact O-N 3.16Å |
| 251 | F | 87 | Confident | 84.7 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 4% | 0.044 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 174.7 | 179.5 | -84.3 | 0 | 0 | 0 | 112.4 | Y244 P245 D247 A248 K253 M254 L256 G258 W260 | Y244-F251 HydrophobicContact CE1-CD2 4.26Å; Y244-F251 HydrophobicContact CE2-CD2 4.15Å; Y244-F251 AromaticContact CE2-CE2 3.81Å; Y244-F251 HydrophobicContact CE2-CE2 3.81Å; Y244-F251 AromaticContact CZ-CD2 3.74Å; Y244-F251 AromaticContact CZ-CE2 3.61Å; Y244-F251 WeakPolarHBondContact OH-CE2 3.38Å; P245-F251 HydrophobicContact CB-CB 3.97Å; P245-F251 HydrophobicContact CG-CB 3.88Å; P245-F251 HydrophobicContact CG-CD2 3.94Å; P245-F251 HydrophobicContact CG-CG 4.37Å; D247-F251 PolarHBondContact O-N 3.19Å; A248-F251 WeakPolarHBondContact O-CB 3.39Å; A248-F251 PolarHBondContact O-N 2.97Å; F251-K253 VanDerWaalsContact C-N 3.34Å; F251-K253 PolarHBondContact O-N 3.38Å; F251-M254 PolarHBondContact O-N 3.23Å; F251-M254 VanDerWaalsContact O-N 3.15Å; F251-L256 HydrophobicContact CD1-CB 4.49Å; F251-L256 HydrophobicContact CD2-CB 3.95Å; F251-L256 HydrophobicContact CD2-CD1 3.59Å; F251-L256 HydrophobicContact CD2-CG 4.41Å; F251-L256 HydrophobicContact CE1-CB 4.04Å; F251-L256 HydrophobicContact CE2-CB 3.45Å; F251-L256 VanDerWaalsContact CE2-CB 3.45Å; F251-L256 HydrophobicContact CE2-CD1 3.67Å; F251-L256 HydrophobicContact CE2-CG 4.2Å; F251-L256 HydrophobicContact CG-CB 4.44Å; F251-L256 HydrophobicContact CG-CD1 4.43Å; F251-L256 HydrophobicContact CZ-CB 3.5Å; F251-G258 WeakPolarHBondContact CE1-O 3.47Å; F251-G258 WeakPolarHBondContact CZ-O 3.34Å; F251-W260 HydrophobicContact CB-CB 4.05Å; F251-W260 VanDerWaalsContact CB-CD1 3.5Å; F251-W260 HydrophobicContact CB-CG 4.02Å; F251-W260 HydrophobicContact CD1-CB 3.94Å; F251-W260 HydrophobicContact CD2-CB 4.26Å; F251-W260 AromaticContact CD2-CD1 3.77Å; F251-W260 HydrophobicContact CD2-CG 4.43Å; F251-W260 HydrophobicContact CE1-CB 4.49Å; F251-W260 HydrophobicContact CG-CB 3.82Å; F251-W260 AromaticContact CG-CD1 3.75Å; F251-W260 HydrophobicContact CG-CG 4.16Å |
| 252 | S | 82.9 | Confident | 84.7 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 174.9 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | A248 M254 R255 | A248-S252 PolarHBondContact O-N 2.88Å; A248-S252 PolarHBondContact O-OG 3.38Å; S252-M254 VanDerWaalsContact C-N 3.26Å; S252-M254 PolarHBondContact O-N 2.79Å; S252-R255 PolarHBondContact O-N 3.3Å; S252-R255 VanDerWaalsContact O-N 3.15Å |
| 253 | K | 84.1 | Confident | 84.5 | Confident | 171 Ų | 171 | 79.4 Ų | 79.4 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.9 | -31.5 | 175.9 | -75.6 | 175.8 | -178.5 | 178.7 | 0 | 113.3 | T249 T250 F251 R255 | T249-K253 WeakPolarHBondContact O-CG 3.43Å; T249-K253 PolarHBondContact O-N 3.11Å; T249-K253 VanDerWaalsContact O-N 3.13Å; T250-K253 PolarHBondContact O-N 3.24Å; F251-K253 VanDerWaalsContact C-N 3.34Å; F251-K253 PolarHBondContact O-N 3.38Å; K253-R255 PolarHBondContact O-N 3.29Å |
| 254 | M | 82.9 | Confident | 84.2 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 27% | 0.266 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.2 | 179.1 | -72.4 | -176.7 | 71.7 | 0 | 0 | 113.9 | M237 P245 T250 F251 S252 L256 M269 | M237-M254 HydrophobicContact CE-CE 3.45Å; M237-M254 VanDerWaalsContact CE-CE 3.45Å; M237-M254 HydrophobicContact CG-CE 3.89Å; M237-M254 HydrophobicContact SD-CE 3.46Å; M237-M254 WeakPolarHBondContact SD-CE 3.41Å; P245-M254 HydrophobicContact CB-SD 4.39Å; P245-M254 HydrophobicContact CG-SD 3.75Å; T250-M254 WeakPolarHBondContact O-CG 3.41Å; T250-M254 PolarHBondContact O-N 3.16Å; F251-M254 PolarHBondContact O-N 3.23Å; F251-M254 VanDerWaalsContact O-N 3.15Å; S252-M254 VanDerWaalsContact C-N 3.26Å; S252-M254 PolarHBondContact O-N 2.79Å; M254-L256 HydrophobicContact CB-CD1 4.25Å; M254-L256 HydrophobicContact CB-CG 4.12Å; M254-L256 PolarHBondContact O-N 3.42Å; M254-M269 HydrophobicContact CE-CE 4.19Å |
| 255 | R | 80.6 | Confident | 83.9 | Confident | 192 Ų | 192 | 81.9 Ų | 81.9 | 73% | 0.725 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.5 | -178.5 | -57.2 | -177.6 | 179.7 | -175.8 | -2 | 112.8 | A233 S252 K253 | A233-R255 VanDerWaalsContact CB-O 3.26Å; A233-R255 WeakPolarHBondContact CB-O 3.37Å; S252-R255 PolarHBondContact O-N 3.3Å; S252-R255 VanDerWaalsContact O-N 3.15Å; K253-R255 PolarHBondContact O-N 3.29Å |
| 256 | L | 81.8 | Confident | 83.7 | Confident | 16 Ų | 16 | 83.5 Ų | 83.5 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | trans | -74.9 | 138.6 | 172.4 | -68.6 | 170.1 | 0 | 0 | 0 | 109 | A233 L234 M237 P245 F251 M254 M269 | A233-L256 HydrophobicContact CB-CD2 4.17Å; L234-L256 HydrophobicContact CB-CD2 4.33Å; L234-L256 HydrophobicContact CD1-CD2 4.41Å; M237-L256 HydrophobicContact CG-CD2 4.43Å; P245-L256 HydrophobicContact CG-CD1 3.68Å; F251-L256 HydrophobicContact CD1-CB 4.49Å; F251-L256 HydrophobicContact CD2-CB 3.95Å; F251-L256 HydrophobicContact CD2-CD1 3.59Å; F251-L256 HydrophobicContact CD2-CG 4.41Å; F251-L256 HydrophobicContact CE1-CB 4.04Å; F251-L256 HydrophobicContact CE2-CB 3.45Å; F251-L256 VanDerWaalsContact CE2-CB 3.45Å; F251-L256 HydrophobicContact CE2-CD1 3.67Å; F251-L256 HydrophobicContact CE2-CG 4.2Å; F251-L256 HydrophobicContact CG-CB 4.44Å; F251-L256 HydrophobicContact CG-CD1 4.43Å; F251-L256 HydrophobicContact CZ-CB 3.5Å; M254-L256 HydrophobicContact CB-CD1 4.25Å; M254-L256 HydrophobicContact CB-CG 4.12Å; M254-L256 PolarHBondContact O-N 3.42Å; L256-M269 HydrophobicContact CD1-CE 4.39Å; L256-M269 HydrophobicContact CD1-SD 4.28Å; L256-M269 HydrophobicContact CD2-SD 4.33Å | ||
| 257 | E | 78 | Confident | 83.6 | Confident | 158 Ų | 158 | 83 Ų | 83 | 74% | 0.738 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -79.3 | 144.5 | 177.1 | -67.3 | 168.3 | -171.7 | 0 | 0 | 110.6 | ||
| 258 | G | 81.7 | Confident | 83.5 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 63% | 0.629 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 94.8 | -174.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F251 | F251-G258 WeakPolarHBondContact CE1-O 3.47Å; F251-G258 WeakPolarHBondContact CZ-O 3.34Å |
| 259 | D | 81.8 | Confident | 83.6 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 83% | 0.829 | 45% | 0.451 | S | S | * | . | trans | -85.3 | 147 | 177 | -61.3 | -42.9 | 0 | 0 | 0 | 111.4 | D261 | D259-D261 PolarHBondContact O-N 3.31Š| ||
| 260 | W | 86.4 | Confident | 83.3 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 32% | 0.322 | 46% | 0.462 | S | S | . | . | trans | -68.8 | 125 | 176.1 | 175.6 | 72.9 | 0 | 0 | 0 | 110.8 | Y244 P245 N246 A248 F251 A262 A265 | Y244-W260 AromaticContact CE1-CD1 3.68Å; Y244-W260 AromaticContact CE1-NE1 3.85Å; P245-W260 PolarHBondContact O-NE1 3.39Å; N246-W260 WeakPolarHBondContact O-CZ2 3.36Å; A248-W260 HydrophobicContact CB-CB 4.1Å; A248-W260 HydrophobicContact CB-CD2 3.94Å; A248-W260 HydrophobicContact CB-CE3 3.89Å; A248-W260 HydrophobicContact CB-CG 4.05Å; F251-W260 HydrophobicContact CB-CB 4.05Å; F251-W260 VanDerWaalsContact CB-CD1 3.5Å; F251-W260 HydrophobicContact CB-CG 4.02Å; F251-W260 HydrophobicContact CD1-CB 3.94Å; F251-W260 HydrophobicContact CD2-CB 4.26Å; F251-W260 AromaticContact CD2-CD1 3.77Å; F251-W260 HydrophobicContact CD2-CG 4.43Å; F251-W260 HydrophobicContact CE1-CB 4.49Å; F251-W260 HydrophobicContact CG-CB 3.82Å; F251-W260 AromaticContact CG-CD1 3.75Å; F251-W260 HydrophobicContact CG-CG 4.16Å; W260-A262 HydrophobicContact CE3-CB 4.49Å; W260-A262 HydrophobicContact CH2-CB 3.5Å; W260-A262 VanDerWaalsContact CH2-CB 3.5Å; W260-A262 HydrophobicContact CZ2-CB 4.09Å; W260-A262 HydrophobicContact CZ3-CB 3.73Å; W260-A265 HydrophobicContact CZ2-CB 4.41Å | ||
| 261 | D | 84.1 | Confident | 83 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | trans | -105.9 | 106.6 | -178.7 | -178.8 | -5.1 | 0 | 0 | 0 | 110.5 | Y244 D259 S263 K264 | Y244-D261 VanDerWaalsContact CE1-O 3.31Å; Y244-D261 WeakPolarHBondContact CE1-O 3.18Å; Y244-D261 PolarHBondContact OH-N 2.87Å; D259-D261 PolarHBondContact O-N 3.31Å; D261-S263 VanDerWaalsContact CG-OG 3.22Å; D261-S263 PolarHBondContact O-N 2.99Å; D261-S263 VanDerWaalsContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD1-CB 3.37Å; D261-S263 PolarHBondContact OD1-N 3.04Å; D261-S263 PolarHBondContact OD1-OG 3.16Å; D261-S263 PolarHBondContact OD2-OG 3.5Å; D261-K264 HydrophobicContact CB-CD 4.39Å; D261-K264 HydrophobicContact CB-CG 4.42Å; D261-K264 PolarHBondContact O-N 3.1Å; D261-K264 WeakPolarHBondContact OD2-CE 3.44Å; D261-K264 IonicContact OD2-NZ 3.14Å; D261-K264 PolarHBondContact OD2-NZ 3.49Å | ||
| 262 | A | 83.5 | Confident | 82.1 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 51% | 0.512 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -56.1 | -30 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W260 K264 A265 | W260-A262 HydrophobicContact CE3-CB 4.49Å; W260-A262 HydrophobicContact CH2-CB 3.5Å; W260-A262 VanDerWaalsContact CH2-CB 3.5Å; W260-A262 HydrophobicContact CZ2-CB 4.09Å; W260-A262 HydrophobicContact CZ3-CB 3.73Å; A262-K264 PolarHBondContact O-N 2.94Å; A262-A265 VanDerWaalsContact O-CB 3.28Å; A262-A265 WeakPolarHBondContact O-CB 3.19Å; A262-A265 PolarHBondContact O-N 3.35Å |
| 263 | S | 83.1 | Confident | 81 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 67% | 0.671 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -68.7 | -22.6 | -179.3 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | D261 | D261-S263 VanDerWaalsContact CG-OG 3.22Å; D261-S263 PolarHBondContact O-N 2.99Å; D261-S263 VanDerWaalsContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD1-CB 3.37Å; D261-S263 PolarHBondContact OD1-N 3.04Å; D261-S263 PolarHBondContact OD1-OG 3.16Å; D261-S263 PolarHBondContact OD2-OG 3.5Å |
| 264 | K | 82.6 | Confident | 79.6 | Confident | 104 Ų | 104 | 82.8 Ų | 82.8 | 45% | 0.452 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -92.6 | -8.4 | 179.7 | -66.5 | -175.7 | -178.5 | 105.9 | 0 | 112.8 | Y244 D261 A262 G266 V267 | Y244-K264 VanDerWaalsContact CB-O 3.26Å; Y244-K264 WeakPolarHBondContact CB-O 3.45Å; Y244-K264 HydrophobicContact CD1-CB 3.58Å; Y244-K264 HydrophobicContact CD2-CB 4.23Å; Y244-K264 HydrophobicContact CE1-CB 3.81Å; Y244-K264 HydrophobicContact CE2-CB 4.44Å; Y244-K264 HydrophobicContact CE2-CD 4.41Å; Y244-K264 HydrophobicContact CG-CB 3.8Å; D261-K264 HydrophobicContact CB-CD 4.39Å; D261-K264 HydrophobicContact CB-CG 4.42Å; D261-K264 PolarHBondContact O-N 3.1Å; D261-K264 WeakPolarHBondContact OD2-CE 3.44Å; D261-K264 IonicContact OD2-NZ 3.14Å; D261-K264 PolarHBondContact OD2-NZ 3.49Å; A262-K264 PolarHBondContact O-N 2.94Å; K264-G266 PolarHBondContact O-N 3.13Å; K264-V267 VanDerWaalsContact O-CB 3.31Å; K264-V267 WeakPolarHBondContact O-CB 3.41Å; K264-V267 WeakPolarHBondContact O-CG2 3.5Å; K264-V267 PolarHBondContact O-N 2.88Å |
| 265 | A | 83.6 | Confident | 78.1 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 31% | 0.306 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 129.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W260 A262 V267 | W260-A265 HydrophobicContact CZ2-CB 4.41Å; A262-A265 VanDerWaalsContact O-CB 3.28Å; A262-A265 WeakPolarHBondContact O-CB 3.19Å; A262-A265 PolarHBondContact O-N 3.35Å; A265-V267 PolarHBondContact O-N 3.02Å; A265-V267 VanDerWaalsContact O-N 3.13Å |
| 266 | G | 83.3 | Confident | 76.6 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -15.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S243 Y244 N246 K264 | S243-G266 WeakPolarHBondContact CB-O 3.36Å; Y244-G266 PolarHBondContact O-N 3Å; N246-G266 WeakPolarHBondContact OD1-CA 3.41Å; N246-G266 PolarHBondContact OD1-N 2.75Å; K264-G266 PolarHBondContact O-N 3.13Å |
| 267 | V | 85.5 | Confident | 75.4 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 133.3 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | Y244 K264 A265 M269 | Y244-V267 WeakPolarHBondContact CB-O 3.4Å; Y244-V267 PolarHBondContact N-O 3.43Å; K264-V267 VanDerWaalsContact O-CB 3.31Å; K264-V267 WeakPolarHBondContact O-CB 3.41Å; K264-V267 WeakPolarHBondContact O-CG2 3.5Å; K264-V267 PolarHBondContact O-N 2.88Å; A265-V267 PolarHBondContact O-N 3.02Å; A265-V267 VanDerWaalsContact O-N 3.13Å; V267-M269 PolarHBondContact O-N 3.01Å; V267-M269 VanDerWaalsContact O-N 3.16Å |
| 268 | C | 84.1 | Confident | 74 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 120.3 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 269 | M | 85.8 | Confident | 72.7 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 6% | 0.064 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 138 | 177.3 | -68.3 | -174.3 | -96.2 | 0 | 0 | 111 | L234 M237 K242 S243 Y244 M254 L256 V267 | L234-M269 HydrophobicContact CD1-SD 4.43Å; M237-M269 HydrophobicContact CB-CE 3.44Å; M237-M269 VanDerWaalsContact CB-CE 3.44Å; M237-M269 HydrophobicContact CB-SD 3.94Å; M237-M269 HydrophobicContact CG-CE 3.95Å; K242-M269 HydrophobicContact CB-CE 4.18Å; K242-M269 WeakPolarHBondContact O-CB 3.47Å; K242-M269 PolarHBondContact O-N 3.4Å; S243-M269 VanDerWaalsContact O-CE 3.25Å; S243-M269 WeakPolarHBondContact O-CE 3.41Å; Y244-M269 HydrophobicContact CD2-CG 4.04Å; Y244-M269 HydrophobicContact CD2-SD 4.08Å; M254-M269 HydrophobicContact CE-CE 4.19Å; L256-M269 HydrophobicContact CD1-CE 4.39Å; L256-M269 HydrophobicContact CD1-SD 4.28Å; L256-M269 HydrophobicContact CD2-SD 4.33Å; V267-M269 PolarHBondContact O-N 3.01Å; V267-M269 VanDerWaalsContact O-N 3.16Å |
| 270 | R | 80.2 | Confident | 71.3 | Confident | 210 Ų | 210 | 72.2 Ų | 72.2 | 79% | 0.792 | 38% | 0.382 | S | S | * | . | trans | -135.8 | 141.3 | 178.9 | -65.7 | -178.8 | -179.6 | -177.8 | 1.3 | 109.4 | ||||
| 271 | L | 80 | Confident | 69.7 | Low | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | trans | -62.3 | 130.9 | 174 | -71.2 | 169.8 | 0 | 0 | 0 | 108.9 | Q169 L172 A173 N235 C238 I239 F273 | Q169-L271 HydrophobicContact CB-CD2 4.27Å; Q169-L271 HydrophobicContact CG-CD2 4.3Å; L172-L271 HydrophobicContact CB-CD1 3.62Å; A173-L271 HydrophobicContact CB-CB 3.82Å; A173-L271 HydrophobicContact CB-CD1 4.07Å; N235-L271 HydrophobicContact CB-CD2 4.21Å; C238-L271 HydrophobicContact CB-CB 4.44Å; C238-L271 HydrophobicContact CB-CD2 3.78Å; C238-L271 HydrophobicContact CB-CG 3.63Å; I239-L271 HydrophobicContact CD1-CD1 4.47Å; I239-L271 HydrophobicContact CG1-CD1 4Å; L271-F273 PolarHBondContact O-N 2.73Å | ||
| 272 | P | 68 | Low | 68.2 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | trans | -61.6 | 136.3 | 171.7 | 25.4 | -30.7 | 0 | 0 | 0 | 109.1 | Q169 N170 | Q169-P272 HydrophobicContact CB-CG 4.37Å; Q169-P272 VanDerWaalsContact OE1-CD 3.32Å; N170-P272 PolarHBondContact OD1-O 2.8Å | ||
| 273 | F | 60.1 | Low | 66.6 | Low | 44 Ų | 44 | 74 Ų | 74 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | trans | -131.2 | 101.8 | -176.5 | -175.9 | -96.8 | 0 | 0 | 0 | 109.2 | N170 A173 Q174 L271 S275 V279 | N170-F273 WeakPolarHBondContact OD1-CA 3.42Å; A173-F273 HydrophobicContact CB-CB 4.27Å; A173-F273 HydrophobicContact CB-CD2 3.62Å; A173-F273 HydrophobicContact CB-CE2 4.45Å; A173-F273 HydrophobicContact CB-CG 4.4Å; Q174-F273 HydrophobicContact CB-CE2 4.09Å; L271-F273 PolarHBondContact O-N 2.73Å; F273-S275 WeakPolarHBondContact CE1-OG 3.38Å; F273-S275 WeakPolarHBondContact CZ-OG 3.47Å; F273-V279 HydrophobicContact CD1-CG2 4.33Å; F273-V279 HydrophobicContact CE1-CG2 4.27Å | ||
| 274 | H | 54.2 | Low | 64.8 | Low | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | trans | -87.9 | -4.9 | -168.8 | -72.4 | -84.2 | 0 | 0 | 0 | 115.5 | N170 K276 | N170-H274 PolarHBondContact OD1-N 3.29Å; H274-K276 PolarHBondContact O-N 3.13Å | ||
| 275 | S | 51.6 | Low | 63.6 | Low | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | trans | -79.7 | 85 | 179.2 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | F273 W277 | F273-S275 WeakPolarHBondContact CE1-OG 3.38Å; F273-S275 WeakPolarHBondContact CZ-OG 3.47Å; S275-W277 VanDerWaalsContact C-N 3.31Å; S275-W277 PolarHBondContact O-N 2.86Å | ||
| 276 | K | 48.2 | Very low | 62.7 | Low | 161 Ų | 161 | 74.8 Ų | 74.8 | 70% | 0.7 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -54.7 | -40.8 | -179.4 | -71.7 | 179.6 | 177.8 | 176 | 0 | 113 | H274 R278 V279 E280 | H274-K276 PolarHBondContact O-N 3.13Å; K276-R278 PolarHBondContact O-N 3.22Å; K276-V279 PolarHBondContact O-N 3.25Å; K276-E280 WeakPolarHBondContact O-CG 3.34Å; K276-E280 PolarHBondContact O-N 3.37Å |
| 277 | W | 57.6 | Low | 61.7 | Low | 21 Ų | 21 | 78.5 Ų | 78.5 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62 | -33.4 | -174.1 | 74.1 | -92.8 | 0 | 0 | 0 | 115.4 | S275 L281 T293 D298 L299 L303 | S275-W277 VanDerWaalsContact C-N 3.31Å; S275-W277 PolarHBondContact O-N 2.86Å; W277-L281 HydrophobicContact CE3-CD1 3.47Å; W277-L281 VanDerWaalsContact CE3-CD1 3.47Å; W277-L281 HydrophobicContact CE3-CG 4.33Å; W277-L281 HydrophobicContact CZ3-CD1 3.49Å; W277-L281 VanDerWaalsContact CZ3-CD1 3.49Å; W277-L281 WeakPolarHBondContact O-CG 3.06Å; W277-L281 PolarHBondContact O-N 2.87Å; W277-T293 HydrophobicContact CB-CG2 3.44Å; W277-T293 VanDerWaalsContact CB-CG2 3.44Å; W277-D298 HydrophobicContact CB-CB 3.95Å; W277-D298 HydrophobicContact CG-CB 3.79Å; W277-D298 PolarHBondContact NE1-O 3.04Å; W277-L299 HydrophobicContact CD2-CD2 4.03Å; W277-L299 HydrophobicContact CD2-CG 4.45Å; W277-L299 HydrophobicContact CE3-CD2 3.35Å; W277-L299 HydrophobicContact CE3-CG 4.1Å; W277-L299 HydrophobicContact CH2-CD2 3.96Å; W277-L299 HydrophobicContact CZ3-CD2 3.3Å; W277-L299 HydrophobicContact CZ3-CG 4.48Å; W277-L303 HydrophobicContact CH2-CB 4.45Å; W277-L303 HydrophobicContact CH2-CD1 3.1Å; W277-L303 HydrophobicContact CH2-CD2 3.73Å; W277-L303 HydrophobicContact CH2-CG 3.93Å; W277-L303 HydrophobicContact CZ2-CD1 3.28Å; W277-L303 HydrophobicContact CZ3-CD1 4.16Å; W277-L303 HydrophobicContact CZ3-CD2 4.43Å |
| 278 | R | 49.1 | Very low | 60.9 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.8 | -38.3 | 179.1 | -82.7 | -170.4 | -174 | 163.1 | 6.9 | 112.5 | K276 E280 L281 T282 | K276-R278 PolarHBondContact O-N 3.22Å; R278-E280 PolarHBondContact O-N 3.25Å; R278-L281 PolarHBondContact O-N 3.01Å; R278-T282 PolarHBondContact O-N 3.3Å; R278-T282 PolarHBondContact O-OG1 3.27Å |
| 279 | V | 54 | Low | 60.2 | Low | 68 Ų | 68 | 77 Ų | 77 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -44 | 176.3 | -179 | 0 | 0 | 0 | 0 | 108.7 | F273 K276 T282 A283 | F273-V279 HydrophobicContact CD1-CG2 4.33Å; F273-V279 HydrophobicContact CE1-CG2 4.27Å; K276-V279 PolarHBondContact O-N 3.25Å; V279-T282 PolarHBondContact O-N 3.21Å; V279-T282 PolarHBondContact O-OG1 3.21Å; V279-A283 VanDerWaalsContact O-CB 3.29Å; V279-A283 WeakPolarHBondContact O-CB 3.06Å; V279-A283 PolarHBondContact O-N 3.49Å |
| 280 | E | 52.1 | Low | 59.6 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.6 | -67.9 | 176.5 | 172.3 | 0 | 0 | 113 | K276 R278 A283 G284 T293 | K276-E280 WeakPolarHBondContact O-CG 3.34Å; K276-E280 PolarHBondContact O-N 3.37Å; R278-E280 PolarHBondContact O-N 3.25Å; E280-A283 PolarHBondContact O-N 2.95Å; E280-G284 PolarHBondContact O-N 3.39Å; E280-T293 HydrophobicContact CB-CG2 4.3Å; E280-T293 VanDerWaalsContact OE2-CG2 3.24Å; E280-T293 WeakPolarHBondContact OE2-CG2 3.4Å |
| 281 | L | 53.8 | Low | 59.3 | Low | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.8 | -32.2 | 179 | -72.2 | 178.6 | 0 | 0 | 0 | 114.2 | W277 R278 W290 L299 | W277-L281 HydrophobicContact CE3-CD1 3.47Å; W277-L281 VanDerWaalsContact CE3-CD1 3.47Å; W277-L281 HydrophobicContact CE3-CG 4.33Å; W277-L281 HydrophobicContact CZ3-CD1 3.49Å; W277-L281 VanDerWaalsContact CZ3-CD1 3.49Å; W277-L281 WeakPolarHBondContact O-CG 3.06Å; W277-L281 PolarHBondContact O-N 2.87Å; R278-L281 PolarHBondContact O-N 3.01Å; L281-W290 HydrophobicContact CD1-CE3 4.41Å; L281-W290 HydrophobicContact CD1-CH2 3.68Å; L281-W290 HydrophobicContact CD1-CZ2 4.33Å; L281-W290 HydrophobicContact CD1-CZ3 3.74Å; L281-W290 HydrophobicContact CD2-CD2 3.51Å; L281-W290 VanDerWaalsContact CD2-CE2 3.5Å; L281-W290 HydrophobicContact CD2-CE3 3.62Å; L281-W290 HydrophobicContact CD2-CG 4.15Å; L281-W290 HydrophobicContact CD2-CH2 3.69Å; L281-W290 HydrophobicContact CD2-CZ2 3.62Å; L281-W290 HydrophobicContact CD2-CZ3 3.71Å; L281-W290 HydrophobicContact CG-CH2 4.35Å; L281-W290 HydrophobicContact CG-CZ3 4.4Å; L281-L299 HydrophobicContact CD1-CD2 4.2Å |
| 282 | T | 52.8 | Low | 59 | Low | 122 Ų | 122 | 73.2 Ų | 73.2 | 75% | 0.748 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.5 | -35.4 | 173 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | R278 V279 G284 | R278-T282 PolarHBondContact O-N 3.3Å; R278-T282 PolarHBondContact O-OG1 3.27Å; V279-T282 PolarHBondContact O-N 3.21Å; V279-T282 PolarHBondContact O-OG1 3.21Å; T282-G284 VanDerWaalsContact C-N 3.28Å; T282-G284 PolarHBondContact O-N 2.73Å |
| 283 | A | 48.5 | Very low | 59.3 | Low | 89 Ų | 89 | 70.8 Ų | 70.8 | 74% | 0.736 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.5 | -26.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V279 E280 | V279-A283 VanDerWaalsContact O-CB 3.29Å; V279-A283 WeakPolarHBondContact O-CB 3.06Å; V279-A283 PolarHBondContact O-N 3.49Å; E280-A283 PolarHBondContact O-N 2.95Å |
| 284 | G | 46.8 | Very low | 60 | Low | 25 Ų | 25 | 68.8 Ų | 68.8 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | -173.2 | 132.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E280 T282 S286 A289 | E280-G284 PolarHBondContact O-N 3.39Å; T282-G284 VanDerWaalsContact C-N 3.28Å; T282-G284 PolarHBondContact O-N 2.73Å; G284-S286 PolarHBondContact O-N 2.83Å; G284-A289 WeakPolarHBondContact O-CB 2.93Å | ||
| 285 | K | 56.9 | Low | 61 | Low | 165 Ų | 165 | 66 Ų | 66 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | trans | -69.5 | 36.7 | 164 | -61.9 | -178.8 | 179.7 | 179.3 | 0 | 111.7 | ||||
| 286 | S | 63.2 | Low | 62.1 | Low | 62 Ų | 62 | 67.2 Ų | 67.2 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | trans | -78 | 156.5 | -177.8 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | G284 D288 A289 W290 | G284-S286 PolarHBondContact O-N 2.83Å; S286-D288 VanDerWaalsContact C-N 3.27Å; S286-D288 PolarHBondContact O-N 3.01Å; S286-A289 PolarHBondContact O-N 3.35Å; S286-W290 PolarHBondContact O-N 3.17Å | ||
| 287 | R | 63.1 | Low | 63 | Low | 120 Ų | 120 | 61.3 Ų | 61.3 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.2 | -45.8 | 174 | 176.1 | 179 | 165.1 | 127.2 | -8.5 | 111.2 | W290 T291 S314 R315 | R287-W290 PolarHBondContact O-N 3.33Å; R287-T291 WeakPolarHBondContact O-CB 3.24Å; R287-T291 PolarHBondContact O-N 3.26Å; R287-T291 PolarHBondContact O-OG1 2.99Å; R287-S314 WeakPolarHBondContact CB-O 3.29Å; R287-R315 WeakPolarHBondContact CD-O 3.03Å; R287-R315 WeakPolarHBondContact CG-O 3.49Å; R287-R315 VanDerWaalsContact CZ-O 3.22Å; R287-R315 PolarHBondContact NE-O 3.47Å; R287-R315 PolarHBondContact NH1-O 3.41Å |
| 288 | D | 68.5 | Low | 63.5 | Low | 101 Ų | 101 | 64.3 Ų | 64.3 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | -173.4 | -54.8 | -31.8 | 0 | 0 | 0 | 112.2 | S286 T291 K292 | S286-D288 VanDerWaalsContact C-N 3.27Å; S286-D288 PolarHBondContact O-N 3.01Å; D288-T291 PolarHBondContact O-N 3.49Å; D288-K292 WeakPolarHBondContact O-CB 3.38Å; D288-K292 WeakPolarHBondContact O-CG 3.5Å; D288-K292 PolarHBondContact O-N 3.12Å |
| 289 | A | 69.5 | Low | 64.5 | Low | 13 Ų | 13 | 61.6 Ų | 61.6 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G284 S286 T291 T293 | G284-A289 WeakPolarHBondContact O-CB 2.93Å; S286-A289 PolarHBondContact O-N 3.35Å; A289-T291 PolarHBondContact O-N 2.82Å; A289-T293 WeakPolarHBondContact O-CB 3.22Å; A289-T293 WeakPolarHBondContact O-CG2 3.39Å; A289-T293 PolarHBondContact O-N 3.42Å; A289-T293 VanDerWaalsContact O-N 3.13Å; A289-T293 PolarHBondContact O-OG1 2.91Å |
| 290 | W | 73.2 | Confident | 65.5 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 2% | 0.023 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.1 | -77.9 | 111.1 | 0 | 0 | 0 | 112.5 | L281 S286 R287 T293 I294 L299 N307 I311 I316 | L281-W290 HydrophobicContact CD1-CE3 4.41Å; L281-W290 HydrophobicContact CD1-CH2 3.68Å; L281-W290 HydrophobicContact CD1-CZ2 4.33Å; L281-W290 HydrophobicContact CD1-CZ3 3.74Å; L281-W290 HydrophobicContact CD2-CD2 3.51Å; L281-W290 VanDerWaalsContact CD2-CE2 3.5Å; L281-W290 HydrophobicContact CD2-CE3 3.62Å; L281-W290 HydrophobicContact CD2-CG 4.15Å; L281-W290 HydrophobicContact CD2-CH2 3.69Å; L281-W290 HydrophobicContact CD2-CZ2 3.62Å; L281-W290 HydrophobicContact CD2-CZ3 3.71Å; L281-W290 HydrophobicContact CG-CH2 4.35Å; L281-W290 HydrophobicContact CG-CZ3 4.4Å; S286-W290 PolarHBondContact O-N 3.17Å; R287-W290 PolarHBondContact O-N 3.33Å; W290-T293 WeakPolarHBondContact CA-OG1 3.15Å; W290-T293 PolarHBondContact O-N 2.82Å; W290-T293 PolarHBondContact O-OG1 3.42Å; W290-T293 VanDerWaalsContact O-OG1 3.1Å; W290-I294 WeakPolarHBondContact O-CB 3.43Å; W290-I294 WeakPolarHBondContact O-CD1 3.41Å; W290-I294 WeakPolarHBondContact O-CG1 3.16Å; W290-I294 PolarHBondContact O-N 2.76Å; W290-L299 HydrophobicContact CE3-CD1 4.19Å; W290-L299 HydrophobicContact CZ3-CD1 4.01Å; W290-L299 HydrophobicContact CZ3-CD2 4.44Å; W290-N307 HydrophobicContact CH2-CB 3.4Å; W290-N307 VanDerWaalsContact CH2-CB 3.4Å; W290-N307 HydrophobicContact CZ2-CB 4Å; W290-N307 HydrophobicContact CZ3-CB 4.15Å; W290-I311 HydrophobicContact CD2-CG1 3.93Å; W290-I311 HydrophobicContact CE3-CD1 4.15Å; W290-I311 HydrophobicContact CE3-CG1 3.67Å; W290-I311 HydrophobicContact CH2-CG1 4.23Å; W290-I311 HydrophobicContact CZ2-CG1 4.43Å; W290-I311 HydrophobicContact CZ3-CD1 4.01Å; W290-I311 HydrophobicContact CZ3-CG1 3.84Å; W290-I316 HydrophobicContact CB-CG2 3.63Å |
| 291 | T | 75 | Confident | 66.9 | Low | 29 Ų | 29 | 58.5 Ų | 58.5 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -49.9 | -177.9 | -48.1 | 0 | 0 | 0 | 0 | 110.2 | R287 D288 A289 T293 I294 T295 | R287-T291 WeakPolarHBondContact O-CB 3.24Å; R287-T291 PolarHBondContact O-N 3.26Å; R287-T291 PolarHBondContact O-OG1 2.99Å; D288-T291 PolarHBondContact O-N 3.49Å; A289-T291 PolarHBondContact O-N 2.82Å; T291-T293 PolarHBondContact O-N 2.62Å; T291-I294 PolarHBondContact O-N 2.91Å; T291-T295 WeakPolarHBondContact O-CG2 3.25Å; T291-T295 PolarHBondContact O-N 2.84Å; T291-T295 PolarHBondContact O-OG1 3.42Å |
| 292 | K | 73.7 | Confident | 68 | Low | 131 Ų | 131 | 60.1 Ų | 60.1 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 177.9 | -73.8 | -179.9 | 179.5 | -175.3 | 0 | 113 | D288 T295 S296 | D288-K292 WeakPolarHBondContact O-CB 3.38Å; D288-K292 WeakPolarHBondContact O-CG 3.5Å; D288-K292 PolarHBondContact O-N 3.12Å; K292-T295 WeakPolarHBondContact CA-OG1 3.32Å; K292-T295 PolarHBondContact O-N 3.37Å; K292-T295 PolarHBondContact O-OG1 2.9Å; K292-S296 WeakPolarHBondContact O-CB 3.48Å; K292-S296 PolarHBondContact O-N 3.32Å; K292-S296 PolarHBondContact O-OG 3.19Å |
| 293 | T | 73.4 | Confident | 69 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.9 | -29.8 | -176.7 | 53 | 0 | 0 | 0 | 0 | 114 | W277 E280 A289 W290 T291 S296 | W277-T293 HydrophobicContact CB-CG2 3.44Å; W277-T293 VanDerWaalsContact CB-CG2 3.44Å; E280-T293 HydrophobicContact CB-CG2 4.3Å; E280-T293 VanDerWaalsContact OE2-CG2 3.24Å; E280-T293 WeakPolarHBondContact OE2-CG2 3.4Å; A289-T293 WeakPolarHBondContact O-CB 3.22Å; A289-T293 WeakPolarHBondContact O-CG2 3.39Å; A289-T293 PolarHBondContact O-N 3.42Å; A289-T293 VanDerWaalsContact O-N 3.13Å; A289-T293 PolarHBondContact O-OG1 2.91Å; W290-T293 WeakPolarHBondContact CA-OG1 3.15Å; W290-T293 PolarHBondContact O-N 2.82Å; W290-T293 PolarHBondContact O-OG1 3.42Å; W290-T293 VanDerWaalsContact O-OG1 3.1Å; T291-T293 PolarHBondContact O-N 2.62Å; T293-S296 PolarHBondContact O-OG 2.87Å |
| 294 | I | 75.8 | Confident | 70.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 173 | -68.4 | 167.1 | 0 | 0 | 0 | 109.7 | W290 T291 G297 L299 I311 I316 I323 V324 R327 | W290-I294 WeakPolarHBondContact O-CB 3.43Å; W290-I294 WeakPolarHBondContact O-CD1 3.41Å; W290-I294 WeakPolarHBondContact O-CG1 3.16Å; W290-I294 PolarHBondContact O-N 2.76Å; T291-I294 PolarHBondContact O-N 2.91Å; I294-G297 PolarHBondContact O-N 3.02Å; I294-L299 HydrophobicContact CG1-CD1 3.72Å; I294-I311 HydrophobicContact CD1-CG2 4.09Å; I294-I316 HydrophobicContact CD1-CD1 3.84Å; I294-I323 HydrophobicContact CG2-CB 4.01Å; I294-I323 HydrophobicContact CG2-CD1 4.4Å; I294-I323 HydrophobicContact CG2-CG2 3.76Å; I294-V324 HydrophobicContact CD1-CG2 3.97Å; I294-V324 HydrophobicContact CG1-CG2 4.39Å; I294-V324 HydrophobicContact CG2-CG2 3.99Å; I294-R327 PolarHBondContact O-NH2 2.81Å |
| 295 | T | 74.9 | Confident | 72.2 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -32 | 179 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | T291 K292 G297 I323 | T291-T295 WeakPolarHBondContact O-CG2 3.25Å; T291-T295 PolarHBondContact O-N 2.84Å; T291-T295 PolarHBondContact O-OG1 3.42Å; K292-T295 WeakPolarHBondContact CA-OG1 3.32Å; K292-T295 PolarHBondContact O-N 3.37Å; K292-T295 PolarHBondContact O-OG1 2.9Å; T295-G297 PolarHBondContact O-N 3.48Å; T295-I323 HydrophobicContact CG2-CD1 4.12Å |
| 296 | S | 73.6 | Confident | 73 | Confident | 60 Ų | 60 | 49 Ų | 49 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.8 | -178.7 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | K292 T293 D298 | K292-S296 WeakPolarHBondContact O-CB 3.48Å; K292-S296 PolarHBondContact O-N 3.32Å; K292-S296 PolarHBondContact O-OG 3.19Å; T293-S296 PolarHBondContact O-OG 2.87Å; S296-D298 VanDerWaalsContact C-N 3.27Å; S296-D298 VanDerWaalsContact CB-OD2 3.32Å; S296-D298 WeakPolarHBondContact CB-OD2 3.29Å; S296-D298 PolarHBondContact O-N 3.31Å; S296-D298 PolarHBondContact OG-N 3.38Å; S296-D298 PolarHBondContact OG-OD2 3.23Å |
| 297 | G | 68.7 | Low | 73.7 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 92.6 | -25 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I294 T295 L299 R327 | I294-G297 PolarHBondContact O-N 3.02Å; T295-G297 PolarHBondContact O-N 3.48Å; G297-L299 PolarHBondContact O-N 3.43Å; G297-R327 PolarHBondContact O-NH1 3.12Å |
| 298 | D | 68.1 | Low | 74.6 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | trans | -67.7 | -16.6 | -159.4 | -57.1 | -42 | 0 | 0 | 0 | 115.9 | W277 S296 C300 | W277-D298 HydrophobicContact CB-CB 3.95Å; W277-D298 HydrophobicContact CG-CB 3.79Å; W277-D298 PolarHBondContact NE1-O 3.04Å; S296-D298 VanDerWaalsContact C-N 3.27Å; S296-D298 VanDerWaalsContact CB-OD2 3.32Å; S296-D298 WeakPolarHBondContact CB-OD2 3.29Å; S296-D298 PolarHBondContact O-N 3.31Å; S296-D298 PolarHBondContact OG-N 3.38Å; S296-D298 PolarHBondContact OG-OD2 3.23Å; D298-C300 PolarHBondContact O-N 2.89Å | ||
| 299 | L | 70.1 | Confident | 75 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.6 | 114.4 | 178.8 | -81.7 | 166.5 | 0 | 0 | 0 | 111.4 | W277 L281 W290 I294 G297 L303 I304 R327 | W277-L299 HydrophobicContact CD2-CD2 4.03Å; W277-L299 HydrophobicContact CD2-CG 4.45Å; W277-L299 HydrophobicContact CE3-CD2 3.35Å; W277-L299 HydrophobicContact CE3-CG 4.1Å; W277-L299 HydrophobicContact CH2-CD2 3.96Å; W277-L299 HydrophobicContact CZ3-CD2 3.3Å; W277-L299 HydrophobicContact CZ3-CG 4.48Å; L281-L299 HydrophobicContact CD1-CD2 4.2Å; W290-L299 HydrophobicContact CE3-CD1 4.19Å; W290-L299 HydrophobicContact CZ3-CD1 4.01Å; W290-L299 HydrophobicContact CZ3-CD2 4.44Å; I294-L299 HydrophobicContact CG1-CD1 3.72Å; G297-L299 PolarHBondContact O-N 3.43Å; L299-L303 HydrophobicContact CD2-CB 4.14Å; L299-I304 HydrophobicContact CB-CD1 4.47Å; L299-I304 HydrophobicContact CB-CG1 4.13Å; L299-R327 PolarHBondContact O-NH1 2.68Å |
| 300 | C | 73.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 42 Ų | 42 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | trans | -65.2 | 156.8 | 173.1 | 97.1 | 0 | 0 | 0 | 0 | 112 | D298 E302 L303 I304 | D298-C300 PolarHBondContact O-N 2.89Å; C300-E302 VanDerWaalsContact C-N 3.34Å; C300-E302 PolarHBondContact O-N 3.3Å; C300-L303 HydrophobicContact CB-CD1 4.17Å; C300-L303 WeakPolarHBondContact O-CB 3.44Å; C300-L303 PolarHBondContact O-N 3.36Å; C300-L303 VanDerWaalsContact O-N 3.08Å; C300-L303 VanDerWaalsContact SG-CD1 3.54Å; C300-I304 PolarHBondContact O-N 2.87Å | ||
| 301 | H | 80.8 | Confident | 75.6 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | -176.5 | -163.2 | 97.1 | 0 | 0 | 0 | 113.3 | L303 I304 L305 R327 Y344 | H301-L303 VanDerWaalsContact C-N 3.32Å; H301-L303 PolarHBondContact O-N 3.46Å; H301-I304 WeakPolarHBondContact O-CB 3.5Å; H301-I304 PolarHBondContact O-N 2.86Å; H301-L305 PolarHBondContact O-N 3.11Å; H301-R327 PolarHBondContact CE1-O 2.94Å; H301-Y344 PolarHBondContact CD2-OH 3.3Å; H301-Y344 AromaticContact NE2-CE1 3.5Å; H301-Y344 WeakPolarHBondContact NE2-CE1 3.34Å; H301-Y344 AromaticContact NE2-CZ 3.76Å; H301-Y344 PolarHBondContact NE2-OH 3.38Å; H301-Y344 VanDerWaalsContact NE2-OH 3.12Å |
| 302 | E | 76.9 | Confident | 75.9 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.8 | -40.4 | 177.1 | -175.2 | -174.9 | 172.1 | 0 | 0 | 112.7 | C300 I304 L305 R306 Q339 | C300-E302 VanDerWaalsContact C-N 3.34Å; C300-E302 PolarHBondContact O-N 3.3Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.04Å; E302-L305 PolarHBondContact O-N 2.88Å; E302-R306 WeakPolarHBondContact O-CG 3.49Å; E302-R306 PolarHBondContact O-N 3.25Å; E302-R306 IonicContact OE1-CZ 3.06Å; E302-R306 IonicContact OE1-NE 2.96Å; E302-R306 PolarHBondContact OE1-NE 3.12Å; E302-R306 IonicContact OE1-NH2 2.63Å; E302-R306 PolarHBondContact OE1-NH2 3.4Å; E302-Q339 HydrophobicContact CB-CG 4.41Å |
| 303 | L | 74.3 | Confident | 75.9 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.2 | -33.1 | -178.5 | -76.9 | 157 | 0 | 0 | 0 | 112.1 | W277 L299 C300 H301 N307 | W277-L303 HydrophobicContact CH2-CB 4.45Å; W277-L303 HydrophobicContact CH2-CD1 3.1Å; W277-L303 HydrophobicContact CH2-CD2 3.73Å; W277-L303 HydrophobicContact CH2-CG 3.93Å; W277-L303 HydrophobicContact CZ2-CD1 3.28Å; W277-L303 HydrophobicContact CZ3-CD1 4.16Å; W277-L303 HydrophobicContact CZ3-CD2 4.43Å; L299-L303 HydrophobicContact CD2-CB 4.14Å; C300-L303 HydrophobicContact CB-CD1 4.17Å; C300-L303 WeakPolarHBondContact O-CB 3.44Å; C300-L303 PolarHBondContact O-N 3.36Å; C300-L303 VanDerWaalsContact O-N 3.08Å; C300-L303 VanDerWaalsContact SG-CD1 3.54Å; H301-L303 VanDerWaalsContact C-N 3.32Å; H301-L303 PolarHBondContact O-N 3.46Å; L303-N307 WeakPolarHBondContact O-CB 3.28Å; L303-N307 PolarHBondContact O-N 3.44Å; L303-N307 PolarHBondContact O-ND2 2.74Å |
| 304 | I | 81.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -53.3 | 171.7 | -65.5 | 173.2 | 0 | 0 | 0 | 108.8 | L299 C300 H301 E302 R306 N307 L308 I311 V324 | L299-I304 HydrophobicContact CB-CD1 4.47Å; L299-I304 HydrophobicContact CB-CG1 4.13Å; C300-I304 PolarHBondContact O-N 2.87Å; H301-I304 WeakPolarHBondContact O-CB 3.5Å; H301-I304 PolarHBondContact O-N 2.86Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.04Å; I304-R306 PolarHBondContact O-N 3.21Å; I304-N307 CarbonylContact O-C 3.57Å; I304-N307 PolarHBondContact O-N 3.44Å; I304-L308 HydrophobicContact CG2-CD2 4.05Å; I304-L308 WeakPolarHBondContact O-CG 3.41Å; I304-L308 PolarHBondContact O-N 3Å; I304-I311 HydrophobicContact CG2-CD1 4.4Å; I304-V324 HydrophobicContact CG2-CG1 3.7Å; I304-V324 HydrophobicContact CG2-CG2 4.45Å |
| 305 | L | 82.3 | Confident | 75.5 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -48.4 | -179.8 | -69.3 | 170.6 | 0 | 0 | 0 | 112.5 | H301 E302 N307 L308 L328 Q339 V343 Y344 A347 L408 | H301-L305 PolarHBondContact O-N 3.11Å; E302-L305 PolarHBondContact O-N 2.88Å; L305-N307 PolarHBondContact O-N 3.36Å; L305-L308 HydrophobicContact CD2-CD1 4.11Å; L305-L308 PolarHBondContact O-N 2.96Å; L305-L328 HydrophobicContact CD2-CD2 3.62Å; L305-L328 HydrophobicContact CG-CD2 4.44Å; L305-Q339 HydrophobicContact CD1-CB 4.31Å; L305-Q339 HydrophobicContact CD1-CG 4.02Å; L305-V343 HydrophobicContact CB-CG1 4.16Å; L305-V343 HydrophobicContact CD1-CB 4.49Å; L305-V343 HydrophobicContact CD1-CG1 3.74Å; L305-Y344 HydrophobicContact CD1-CD1 3.93Å; L305-Y344 HydrophobicContact CD1-CE1 3.55Å; L305-Y344 HydrophobicContact CD2-CD1 3.62Å; L305-Y344 HydrophobicContact CD2-CE1 3.79Å; L305-Y344 HydrophobicContact CG-CD1 4.45Å; L305-Y344 HydrophobicContact CG-CE1 4.25Å; L305-A347 HydrophobicContact CD2-CB 4.13Å; L305-L408 HydrophobicContact CD2-CD2 3.85Å |
| 306 | R | 73.5 | Confident | 75.5 | Confident | 130 Ų | 130 | 40.3 Ų | 40.3 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -27.4 | 179 | -71.3 | 179.5 | 179.9 | -141.9 | 2 | 113.3 | E302 I304 | E302-R306 WeakPolarHBondContact O-CG 3.49Å; E302-R306 PolarHBondContact O-N 3.25Å; E302-R306 IonicContact OE1-CZ 3.06Å; E302-R306 IonicContact OE1-NE 2.96Å; E302-R306 PolarHBondContact OE1-NE 3.12Å; E302-R306 IonicContact OE1-NH2 2.63Å; E302-R306 PolarHBondContact OE1-NH2 3.4Å; I304-R306 PolarHBondContact O-N 3.21Å |
| 307 | N | 77.7 | Confident | 75.8 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -109.2 | 5.7 | -175 | -67.8 | -64.7 | 0 | 0 | 0 | 114.6 | W290 L303 I304 L305 K309 S310 I311 | W290-N307 HydrophobicContact CH2-CB 3.4Å; W290-N307 VanDerWaalsContact CH2-CB 3.4Å; W290-N307 HydrophobicContact CZ2-CB 4Å; W290-N307 HydrophobicContact CZ3-CB 4.15Å; L303-N307 WeakPolarHBondContact O-CB 3.28Å; L303-N307 PolarHBondContact O-N 3.44Å; L303-N307 PolarHBondContact O-ND2 2.74Å; I304-N307 CarbonylContact O-C 3.57Å; I304-N307 PolarHBondContact O-N 3.44Å; L305-N307 PolarHBondContact O-N 3.36Å; N307-K309 PolarHBondContact O-N 3.18Å; N307-K309 VanDerWaalsContact O-N 3.11Å; N307-S310 WeakPolarHBondContact O-CA 3.23Å; N307-S310 WeakPolarHBondContact O-CB 3.34Å; N307-S310 PolarHBondContact O-N 2.92Å; N307-I311 HydrophobicContact CB-CD1 4.31Å; N307-I311 HydrophobicContact CB-CG1 4.46Å; N307-I311 WeakPolarHBondContact O-CG1 3.27Å; N307-I311 PolarHBondContact O-N 3.19Å |
| 308 | L | 82.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -50.6 | -42 | -176.8 | -81.1 | 176 | 0 | 0 | 0 | 113.5 | I304 L305 S310 I311 L312 V324 L328 A347 Y404 L408 | I304-L308 HydrophobicContact CG2-CD2 4.05Å; I304-L308 WeakPolarHBondContact O-CG 3.41Å; I304-L308 PolarHBondContact O-N 3Å; L305-L308 HydrophobicContact CD2-CD1 4.11Å; L305-L308 PolarHBondContact O-N 2.96Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.07Å; L308-I311 PolarHBondContact O-N 3Å; L308-L312 WeakPolarHBondContact O-CB 3.26Å; L308-L312 VanDerWaalsContact O-CG 3.25Å; L308-L312 WeakPolarHBondContact O-CG 3.32Å; L308-L312 PolarHBondContact O-N 2.94Å; L308-V324 HydrophobicContact CD2-CG1 4.02Å; L308-L328 HydrophobicContact CD2-CD1 4.48Å; L308-A347 HydrophobicContact CD1-CB 3.75Å; L308-Y404 HydrophobicContact CD2-CD1 4.07Å; L308-Y404 HydrophobicContact CD2-CE1 3.69Å; L308-L408 HydrophobicContact CD1-CD1 4.25Å; L308-L408 HydrophobicContact CD1-CD2 4.03Å |
| 309 | K | 76.2 | Confident | 76.9 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.6 | 179 | 179.8 | 176.6 | -177.9 | 0 | 112.1 | A11 N307 C313 L354 | A11-K309 PolarHBondContact O-NZ 3.03Å; N307-K309 PolarHBondContact O-N 3.18Å; N307-K309 VanDerWaalsContact O-N 3.11Å; K309-C313 VanDerWaalsContact O-CB 3.31Å; K309-C313 WeakPolarHBondContact O-CB 3.37Å; K309-C313 PolarHBondContact O-N 3.19Å; K309-C313 PolarHBondContact O-SG 3.17Å; K309-L354 HydrophobicContact CG-CD1 4.25Å; K309-L354 HydrophobicContact CG-CD2 4.5Å |
| 310 | S | 76.4 | Confident | 77.4 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 178 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | N307 L308 C313 S314 | N307-S310 WeakPolarHBondContact O-CA 3.23Å; N307-S310 WeakPolarHBondContact O-CB 3.34Å; N307-S310 PolarHBondContact O-N 2.92Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.07Å; S310-C313 CarbonylContact O-C 3.54Å; S310-C313 PolarHBondContact O-N 3.09Å; S310-S314 WeakPolarHBondContact O-CB 3.4Å; S310-S314 PolarHBondContact O-N 3.08Å; S310-S314 PolarHBondContact O-OG 2.96Å |
| 311 | I | 78.8 | Confident | 78 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 179.1 | -64.2 | 168.7 | 0 | 0 | 0 | 110.9 | W290 I294 I304 N307 L308 C313 S314 I316 | W290-I311 HydrophobicContact CD2-CG1 3.93Å; W290-I311 HydrophobicContact CE3-CD1 4.15Å; W290-I311 HydrophobicContact CE3-CG1 3.67Å; W290-I311 HydrophobicContact CH2-CG1 4.23Å; W290-I311 HydrophobicContact CZ2-CG1 4.43Å; W290-I311 HydrophobicContact CZ3-CD1 4.01Å; W290-I311 HydrophobicContact CZ3-CG1 3.84Å; I294-I311 HydrophobicContact CD1-CG2 4.09Å; I304-I311 HydrophobicContact CG2-CD1 4.4Å; N307-I311 HydrophobicContact CB-CD1 4.31Å; N307-I311 HydrophobicContact CB-CG1 4.46Å; N307-I311 WeakPolarHBondContact O-CG1 3.27Å; N307-I311 PolarHBondContact O-N 3.19Å; L308-I311 PolarHBondContact O-N 3Å; I311-C313 VanDerWaalsContact C-N 3.29Å; I311-C313 PolarHBondContact O-N 2.99Å; I311-S314 WeakPolarHBondContact CA-OG 3.28Å; I311-S314 PolarHBondContact O-N 3.45Å; I311-S314 PolarHBondContact O-OG 3.39Å; I311-I316 HydrophobicContact CG2-CD1 3.57Å; I311-I316 HydrophobicContact CG2-CG1 4.29Å |
| 312 | L | 80.1 | Confident | 78.2 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -32.7 | 176.5 | -69.8 | 169.1 | 0 | 0 | 0 | 112.1 | L308 V351 L354 I396 L401 Y404 | L308-L312 WeakPolarHBondContact O-CB 3.26Å; L308-L312 VanDerWaalsContact O-CG 3.25Å; L308-L312 WeakPolarHBondContact O-CG 3.32Å; L308-L312 PolarHBondContact O-N 2.94Å; L312-V351 HydrophobicContact CD1-CG1 4.39Å; L312-V351 HydrophobicContact CD1-CG2 3.82Å; L312-L354 HydrophobicContact CB-CD1 4.19Å; L312-L354 HydrophobicContact CD1-CD1 3.91Å; L312-I396 HydrophobicContact CB-CD1 4.44Å; L312-I396 WeakPolarHBondContact O-CD1 3.46Å; L312-L401 HydrophobicContact CD1-CD2 4.2Å; L312-Y404 HydrophobicContact CD2-CD1 4.46Å; L312-Y404 HydrophobicContact CD2-CD2 3.92Å; L312-Y404 HydrophobicContact CD2-CE1 4.3Å; L312-Y404 HydrophobicContact CD2-CE2 3.79Å; L312-Y404 HydrophobicContact CD2-CG 4.27Å |
| 313 | C | 75 | Confident | 78.6 | Confident | 56 Ų | 56 | 41 Ų | 41 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -82.5 | -23.2 | 177.9 | -67 | 0 | 0 | 0 | 0 | 113.8 | K309 S310 I311 R315 | K309-C313 VanDerWaalsContact O-CB 3.31Å; K309-C313 WeakPolarHBondContact O-CB 3.37Å; K309-C313 PolarHBondContact O-N 3.19Å; K309-C313 PolarHBondContact O-SG 3.17Å; S310-C313 CarbonylContact O-C 3.54Å; S310-C313 PolarHBondContact O-N 3.09Å; I311-C313 VanDerWaalsContact C-N 3.29Å; I311-C313 PolarHBondContact O-N 2.99Å; C313-R315 PolarHBondContact O-N 2.97Å |
| 314 | S | 71.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.1 | -176 | 57.6 | 0 | 0 | 0 | 0 | 114 | R287 S310 I311 I316 | R287-S314 WeakPolarHBondContact CB-O 3.29Å; S310-S314 WeakPolarHBondContact O-CB 3.4Å; S310-S314 PolarHBondContact O-N 3.08Å; S310-S314 PolarHBondContact O-OG 2.96Å; I311-S314 WeakPolarHBondContact CA-OG 3.28Å; I311-S314 PolarHBondContact O-N 3.45Å; I311-S314 PolarHBondContact O-OG 3.39Å; S314-I316 PolarHBondContact O-N 3.18Å |
| 315 | R | 68.7 | Low | 79.5 | Confident | 126 Ų | 126 | 40.5 Ų | 40.5 | 48% | 0.475 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 55.6 | -179.8 | -58.6 | -176.1 | -178.2 | -176.6 | 2.1 | 111.4 | R287 C313 | R287-R315 WeakPolarHBondContact CD-O 3.03Å; R287-R315 WeakPolarHBondContact CG-O 3.49Å; R287-R315 VanDerWaalsContact CZ-O 3.22Å; R287-R315 PolarHBondContact NE-O 3.47Å; R287-R315 PolarHBondContact NH1-O 3.41Å; C313-R315 PolarHBondContact O-N 2.97Å |
| 316 | I | 75.2 | Confident | 79.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | trans | -64.7 | 171.9 | 175 | 59.2 | 167.6 | 0 | 0 | 0 | 111.6 | W290 I294 I311 S314 H321 | W290-I316 HydrophobicContact CB-CG2 3.63Å; I294-I316 HydrophobicContact CD1-CD1 3.84Å; I311-I316 HydrophobicContact CG2-CD1 3.57Å; I311-I316 HydrophobicContact CG2-CG1 4.29Å; S314-I316 PolarHBondContact O-N 3.18Å; I316-H321 WeakPolarHBondContact CG1-CE1 3.36Å; I316-H321 VanDerWaalsContact CG1-NE2 3.3Å; I316-H321 WeakPolarHBondContact CG1-NE2 3.42Å | ||
| 317 | S | 80 | Confident | 80.3 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | trans | -63.6 | 156.9 | 172.6 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | T319 G320 H321 | S317-T319 WeakPolarHBondContact CB-OG1 3.37Å; S317-T319 PolarHBondContact O-N 2.88Å; S317-T319 PolarHBondContact OG-OG1 2.98Å; S317-G320 PolarHBondContact O-N 2.85Å; S317-G320 VanDerWaalsContact O-N 3.1Å; S317-G320 PolarHBondContact OG-N 3.41Å; S317-G320 VanDerWaalsContact OG-N 3.15Å; S317-H321 PolarHBondContact O-CD2 3.03Å; S317-H321 PolarHBondContact O-N 2.81Å; S317-H321 VanDerWaalsContact O-N 3.14Å | ||
| 318 | Q | 79.3 | Confident | 80.7 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 47% | 0.467 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.4 | -40.6 | 173.7 | -172.5 | 58.9 | 32.6 | 0 | 0 | 111.1 | G320 H321 D322 | Q318-G320 VanDerWaalsContact C-N 3.3Å; Q318-G320 PolarHBondContact O-N 3.3Å; Q318-H321 WeakPolarHBondContact O-CA 3.47Å; Q318-H321 WeakPolarHBondContact O-CB 3.42Å; Q318-H321 PolarHBondContact O-N 3.07Å; Q318-D322 PolarHBondContact NE2-OD1 2.65Å; Q318-D322 VanDerWaalsContact O-CG 3.23Å; Q318-D322 PolarHBondContact O-N 3.4Å |
| 319 | T | 80.2 | Confident | 80.7 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.4 | -41 | 173.6 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | S317 D322 I323 | S317-T319 WeakPolarHBondContact CB-OG1 3.37Å; S317-T319 PolarHBondContact O-N 2.88Å; S317-T319 PolarHBondContact OG-OG1 2.98Å; T319-D322 PolarHBondContact O-N 3.27Å; T319-I323 WeakPolarHBondContact O-CG1 3.29Å; T319-I323 PolarHBondContact O-N 3.47Å |
| 320 | G | 82 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S317 Q318 V324 | S317-G320 PolarHBondContact O-N 2.85Å; S317-G320 VanDerWaalsContact O-N 3.1Å; S317-G320 PolarHBondContact OG-N 3.41Å; S317-G320 VanDerWaalsContact OG-N 3.15Å; Q318-G320 VanDerWaalsContact C-N 3.3Å; Q318-G320 PolarHBondContact O-N 3.3Å; G320-V324 WeakPolarHBondContact O-CG2 3.44Å; G320-V324 PolarHBondContact O-N 3Å |
| 321 | H | 86.4 | Confident | 81.5 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 173.9 | -75 | -58.4 | 0 | 0 | 0 | 112.3 | I316 S317 Q318 V324 L325 L400 Y404 | I316-H321 WeakPolarHBondContact CG1-CE1 3.36Å; I316-H321 VanDerWaalsContact CG1-NE2 3.3Å; I316-H321 WeakPolarHBondContact CG1-NE2 3.42Å; S317-H321 PolarHBondContact O-CD2 3.03Å; S317-H321 PolarHBondContact O-N 2.81Å; S317-H321 VanDerWaalsContact O-N 3.14Å; Q318-H321 WeakPolarHBondContact O-CA 3.47Å; Q318-H321 WeakPolarHBondContact O-CB 3.42Å; Q318-H321 PolarHBondContact O-N 3.07Å; H321-V324 PolarHBondContact O-N 2.63Å; H321-L325 WeakPolarHBondContact O-CB 3.24Å; H321-L325 VanDerWaalsContact O-CG 3.31Å; H321-L325 WeakPolarHBondContact O-CG 3.41Å; H321-L325 PolarHBondContact O-N 3.3Å; H321-L400 HydrophobicContact CB-CD1 4.19Å; H321-Y404 HydrophobicContact CB-CE2 4.44Å; H321-Y404 AromaticContact ND1-CE2 3.81Å; H321-Y404 AromaticContact ND1-CZ 3.75Å; H321-Y404 PolarHBondContact ND1-OH 3.21Å; H321-Y404 PolarHBondContact O-OH 2.93Å |
| 322 | D | 84.5 | Confident | 81.8 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | -180 | -62 | -28.7 | 0 | 0 | 0 | 111.1 | Q318 T319 V324 L325 Q326 | Q318-D322 PolarHBondContact NE2-OD1 2.65Å; Q318-D322 VanDerWaalsContact O-CG 3.23Å; Q318-D322 PolarHBondContact O-N 3.4Å; T319-D322 PolarHBondContact O-N 3.27Å; D322-V324 PolarHBondContact O-N 2.96Å; D322-L325 PolarHBondContact O-N 2.87Å; D322-Q326 WeakPolarHBondContact O-CB 3.45Å; D322-Q326 WeakPolarHBondContact O-CG 3.32Å; D322-Q326 PolarHBondContact O-N 3.5Å |
| 323 | I | 85.1 | Confident | 82 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 172.4 | -67.2 | 165.4 | 0 | 0 | 0 | 110.5 | I294 T295 T319 L325 Q326 R327 | I294-I323 HydrophobicContact CG2-CB 4.01Å; I294-I323 HydrophobicContact CG2-CD1 4.4Å; I294-I323 HydrophobicContact CG2-CG2 3.76Å; T295-I323 HydrophobicContact CG2-CD1 4.12Å; T319-I323 WeakPolarHBondContact O-CG1 3.29Å; T319-I323 PolarHBondContact O-N 3.47Å; I323-L325 PolarHBondContact O-N 3.46Å; I323-Q326 PolarHBondContact O-N 3.44Å; I323-R327 WeakPolarHBondContact O-CG 3.39Å; I323-R327 PolarHBondContact O-N 2.81Å |
| 324 | V | 86.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I294 I304 L308 G320 H321 D322 R327 L328 Y404 | I294-V324 HydrophobicContact CD1-CG2 3.97Å; I294-V324 HydrophobicContact CG1-CG2 4.39Å; I294-V324 HydrophobicContact CG2-CG2 3.99Å; I304-V324 HydrophobicContact CG2-CG1 3.7Å; I304-V324 HydrophobicContact CG2-CG2 4.45Å; L308-V324 HydrophobicContact CD2-CG1 4.02Å; G320-V324 WeakPolarHBondContact O-CG2 3.44Å; G320-V324 PolarHBondContact O-N 3Å; H321-V324 PolarHBondContact O-N 2.63Å; D322-V324 PolarHBondContact O-N 2.96Å; V324-R327 PolarHBondContact O-N 3.37Å; V324-L328 HydrophobicContact CG1-CD1 4.16Å; V324-L328 HydrophobicContact CG1-CG 4.48Å; V324-L328 WeakPolarHBondContact O-CG 3.05Å; V324-L328 PolarHBondContact O-N 3.08Å; V324-Y404 HydrophobicContact CB-CE1 4.5Å; V324-Y404 HydrophobicContact CG1-CE1 3.64Å |
| 325 | L | 87.5 | Confident | 82.9 | Confident | 20 Ų | 20 | 51 Ų | 51 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178 | -75.4 | 169.5 | 0 | 0 | 0 | 112.2 | H321 D322 I323 L328 S329 K403 Y404 A407 | H321-L325 WeakPolarHBondContact O-CB 3.24Å; H321-L325 VanDerWaalsContact O-CG 3.31Å; H321-L325 WeakPolarHBondContact O-CG 3.41Å; H321-L325 PolarHBondContact O-N 3.3Å; D322-L325 PolarHBondContact O-N 2.87Å; I323-L325 PolarHBondContact O-N 3.46Å; L325-L328 PolarHBondContact O-N 2.87Å; L325-S329 VanDerWaalsContact O-CB 3.3Å; L325-S329 WeakPolarHBondContact O-CB 3.45Å; L325-S329 PolarHBondContact O-N 3.43Å; L325-S329 PolarHBondContact O-OG 2.95Å; L325-K403 HydrophobicContact CD1-CB 4.09Å; L325-K403 HydrophobicContact CD1-CD 4.4Å; L325-K403 HydrophobicContact CD2-CB 4.22Å; L325-Y404 HydrophobicContact CD1-CD2 4.46Å; L325-Y404 HydrophobicContact CD1-CE2 4.13Å; L325-Y404 HydrophobicContact CD2-CD1 4.18Å; L325-Y404 HydrophobicContact CD2-CD2 3.71Å; L325-Y404 HydrophobicContact CD2-CE1 4.36Å; L325-Y404 HydrophobicContact CD2-CE2 3.87Å; L325-Y404 HydrophobicContact CD2-CG 3.86Å; L325-Y404 HydrophobicContact CG-CD2 4.22Å; L325-Y404 HydrophobicContact CG-CE2 3.87Å; L325-A407 HydrophobicContact CD2-CB 3.85Å |
| 326 | Q | 85.8 | Confident | 83.3 | Confident | 140 Ų | 140 | 51.7 Ų | 51.7 | 65% | 0.654 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 173.3 | -78.6 | -178.2 | -10.6 | 0 | 0 | 110.7 | D322 I323 L328 S329 N330 | D322-Q326 WeakPolarHBondContact O-CB 3.45Å; D322-Q326 WeakPolarHBondContact O-CG 3.32Å; D322-Q326 PolarHBondContact O-N 3.5Å; I323-Q326 PolarHBondContact O-N 3.44Å; Q326-L328 PolarHBondContact O-N 2.83Å; Q326-S329 PolarHBondContact O-N 3.21Å; Q326-S329 VanDerWaalsContact O-N 3.15Å; Q326-N330 WeakPolarHBondContact O-CB 3.34Å; Q326-N330 PolarHBondContact O-N 2.99Å |
| 327 | R | 85.9 | Confident | 83.3 | Confident | 43 Ų | 43 | 52 Ų | 52 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.4 | -70.2 | -168.1 | -172.9 | -177.6 | 7.1 | 113.3 | I294 G297 L299 H301 I323 V324 S329 L333 | I294-R327 PolarHBondContact O-NH2 2.81Å; G297-R327 PolarHBondContact O-NH1 3.12Å; L299-R327 PolarHBondContact O-NH1 2.68Å; H301-R327 PolarHBondContact CE1-O 2.94Å; I323-R327 WeakPolarHBondContact O-CG 3.39Å; I323-R327 PolarHBondContact O-N 2.81Å; V324-R327 PolarHBondContact O-N 3.37Å; R327-S329 VanDerWaalsContact C-N 3.28Å; R327-S329 PolarHBondContact O-N 3.03Å; R327-L333 HydrophobicContact CB-CD1 4.01Å; R327-L333 HydrophobicContact CG-CD1 3.72Å |
| 328 | L | 86.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -28.9 | 177.1 | -72.3 | 176.4 | 0 | 0 | 0 | 112.7 | L305 L308 V324 L325 Q326 Y344 Y404 A407 L408 A411 | L305-L328 HydrophobicContact CD2-CD2 3.62Å; L305-L328 HydrophobicContact CG-CD2 4.44Å; L308-L328 HydrophobicContact CD2-CD1 4.48Å; V324-L328 HydrophobicContact CG1-CD1 4.16Å; V324-L328 HydrophobicContact CG1-CG 4.48Å; V324-L328 WeakPolarHBondContact O-CG 3.05Å; V324-L328 PolarHBondContact O-N 3.08Å; L325-L328 PolarHBondContact O-N 2.87Å; Q326-L328 PolarHBondContact O-N 2.83Å; L328-Y344 HydrophobicContact CD2-CE1 4.43Å; L328-Y404 HydrophobicContact CD1-CD1 4.12Å; L328-Y404 HydrophobicContact CD1-CE1 4.27Å; L328-A407 HydrophobicContact CB-CB 4.04Å; L328-A407 HydrophobicContact CD1-CB 4.46Å; L328-L408 HydrophobicContact CD1-CD2 4.22Å; L328-L408 HydrophobicContact CD1-CG 4.42Å; L328-L408 HydrophobicContact CD2-CD2 4.2Å; L328-A411 VanDerWaalsContact O-CB 3.31Å; L328-A411 WeakPolarHBondContact O-CB 3.34Å |
| 329 | S | 84.5 | Confident | 83.2 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -97.2 | -9.5 | -175.3 | -54.2 | 0 | 0 | 0 | 0 | 113.9 | L325 Q326 R327 K410 | L325-S329 VanDerWaalsContact O-CB 3.3Å; L325-S329 WeakPolarHBondContact O-CB 3.45Å; L325-S329 PolarHBondContact O-N 3.43Å; L325-S329 PolarHBondContact O-OG 2.95Å; Q326-S329 PolarHBondContact O-N 3.21Å; Q326-S329 VanDerWaalsContact O-N 3.15Å; R327-S329 VanDerWaalsContact C-N 3.28Å; R327-S329 PolarHBondContact O-N 3.03Å; S329-K410 PolarHBondContact O-NZ 3.4Å |
| 330 | N | 85.2 | Confident | 83.1 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | trans | -80.7 | 130.4 | 179.3 | -178.5 | -36.7 | 0 | 0 | 0 | 109.8 | Q326 E332 L333 V334 | Q326-N330 WeakPolarHBondContact O-CB 3.34Å; Q326-N330 PolarHBondContact O-N 2.99Å; N330-E332 PolarHBondContact OD1-N 3.41Å; N330-L333 HydrophobicContact CB-CB 4.27Å; N330-L333 HydrophobicContact CB-CD1 4.07Å; N330-L333 HydrophobicContact CB-CG 4.29Å; N330-L333 PolarHBondContact OD1-N 2.87Å; N330-V334 VanDerWaalsContact O-CG2 3.25Å; N330-V334 WeakPolarHBondContact O-CG2 3.38Å; N330-V334 PolarHBondContact O-N 2.85Å | ||
| 331 | V | 84.2 | Confident | 82.9 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.2 | -50.7 | -177.5 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | L333 V334 I335 L414 Y418 | V331-L333 PolarHBondContact O-N 2.96Å; V331-V334 PolarHBondContact O-N 3.14Å; V331-I335 HydrophobicContact CG1-CD1 3.69Å; V331-I335 HydrophobicContact CG1-CG1 4.4Å; V331-I335 VanDerWaalsContact O-CG1 3.27Å; V331-I335 WeakPolarHBondContact O-CG1 3.41Å; V331-I335 PolarHBondContact O-N 3.33Å; V331-L414 HydrophobicContact CG1-CD2 4.23Å; V331-L414 HydrophobicContact CG2-CD1 3.97Å; V331-L414 HydrophobicContact CG2-CD2 3.86Å; V331-Y418 HydrophobicContact CG1-CD2 4.43Å; V331-Y418 HydrophobicContact CG1-CE2 3.96Å |
| 332 | E | 85.2 | Confident | 82.5 | Confident | 134 Ų | 134 | 53.3 Ų | 53.3 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.1 | -46.5 | -176.5 | -64.1 | 169.7 | 178 | 0 | 0 | 111.1 | N330 V334 I335 E336 | N330-E332 PolarHBondContact OD1-N 3.41Å; E332-V334 VanDerWaalsContact C-N 3.3Å; E332-V334 PolarHBondContact O-N 3.02Å; E332-I335 PolarHBondContact O-N 3.21Å; E332-I335 VanDerWaalsContact O-N 3.14Å; E332-E336 WeakPolarHBondContact O-CB 3.41Å; E332-E336 WeakPolarHBondContact O-CG 3.29Å; E332-E336 PolarHBondContact O-N 3.48Å |
| 333 | L | 83.7 | Confident | 82.2 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.2 | -29.7 | -179.4 | -66.7 | 177.6 | 0 | 0 | 0 | 113.5 | R327 N330 V331 G337 | R327-L333 HydrophobicContact CB-CD1 4.01Å; R327-L333 HydrophobicContact CG-CD1 3.72Å; N330-L333 HydrophobicContact CB-CB 4.27Å; N330-L333 HydrophobicContact CB-CD1 4.07Å; N330-L333 HydrophobicContact CB-CG 4.29Å; N330-L333 PolarHBondContact OD1-N 2.87Å; V331-L333 PolarHBondContact O-N 2.96Å; L333-G337 PolarHBondContact O-N 3.28Å |
| 334 | V | 83 | Confident | 82.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.5 | -39.1 | 174 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | N330 V331 E332 K338 A411 L414 N419 | N330-V334 VanDerWaalsContact O-CG2 3.25Å; N330-V334 WeakPolarHBondContact O-CG2 3.38Å; N330-V334 PolarHBondContact O-N 2.85Å; V331-V334 PolarHBondContact O-N 3.14Å; E332-V334 VanDerWaalsContact C-N 3.3Å; E332-V334 PolarHBondContact O-N 3.02Å; V334-K338 PolarHBondContact O-N 3.5Å; V334-A411 HydrophobicContact CG2-CB 4.21Å; V334-L414 HydrophobicContact CB-CB 4.46Å; V334-L414 HydrophobicContact CG1-CB 3.83Å; V334-N419 PolarHBondContact O-ND2 3.3Å |
| 335 | I | 81.2 | Confident | 81.8 | Confident | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.9 | -53.8 | 176.9 | -65.3 | 172.4 | 0 | 0 | 0 | 110.5 | V331 E332 G337 K338 Y418 N419 | V331-I335 HydrophobicContact CG1-CD1 3.69Å; V331-I335 HydrophobicContact CG1-CG1 4.4Å; V331-I335 VanDerWaalsContact O-CG1 3.27Å; V331-I335 WeakPolarHBondContact O-CG1 3.41Å; V331-I335 PolarHBondContact O-N 3.33Å; E332-I335 PolarHBondContact O-N 3.21Å; E332-I335 VanDerWaalsContact O-N 3.14Å; I335-G337 PolarHBondContact O-N 3.42Å; I335-K338 VanDerWaalsContact O-CG 3.3Å; I335-K338 WeakPolarHBondContact O-CG 3.41Å; I335-K338 PolarHBondContact O-N 3.06Å; I335-Y418 HydrophobicContact CD1-CD1 4.02Å; I335-Y418 HydrophobicContact CD1-CD2 3.82Å; I335-Y418 HydrophobicContact CD1-CE1 4.46Å; I335-Y418 HydrophobicContact CD1-CE2 4.29Å; I335-Y418 HydrophobicContact CD1-CG 3.68Å; I335-Y418 HydrophobicContact CG1-CD2 3.98Å; I335-Y418 HydrophobicContact CG1-CG 3.85Å; I335-N419 WeakPolarHBondContact CA-OD1 3.36Å; I335-N419 PolarHBondContact O-OD1 3.31Å |
| 336 | E | 78.1 | Confident | 81.2 | Confident | 142 Ų | 142 | 49.5 Ų | 49.5 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.4 | -34.5 | 177.1 | -72.5 | -176.9 | 167.4 | 0 | 0 | 112.2 | E332 K338 | E332-E336 WeakPolarHBondContact O-CB 3.41Å; E332-E336 WeakPolarHBondContact O-CG 3.29Å; E332-E336 PolarHBondContact O-N 3.48Å; E336-K338 PolarHBondContact O-N 2.8Å |
| 337 | G | 75.2 | Confident | 81 | Confident | 16 Ų | 16 | 43 Ų | 43 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L333 I335 Q339 | L333-G337 PolarHBondContact O-N 3.28Å; I335-G337 PolarHBondContact O-N 3.42Å; G337-Q339 WeakPolarHBondContact O-CG 3.27Å; G337-Q339 PolarHBondContact O-N 3.22Å; G337-Q339 PolarHBondContact O-NE2 2.81Å |
| 338 | K | 76 | Confident | 80.9 | Confident | 166 Ų | 166 | 41.2 Ų | 41.2 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 28.4 | -178.3 | -63.1 | -176.5 | -179.9 | -176.1 | 0 | 113.5 | V334 I335 E336 | V334-K338 PolarHBondContact O-N 3.5Å; I335-K338 VanDerWaalsContact O-CG 3.3Å; I335-K338 WeakPolarHBondContact O-CG 3.41Å; I335-K338 PolarHBondContact O-N 3.06Å; E336-K338 PolarHBondContact O-N 2.8Å |
| 339 | Q | 81.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | trans | -83.4 | 138.9 | 178.1 | -60.8 | -56.1 | -61 | 0 | 0 | 109.1 | E302 L305 G337 V343 Y344 S415 N419 | E302-Q339 HydrophobicContact CB-CG 4.41Å; L305-Q339 HydrophobicContact CD1-CB 4.31Å; L305-Q339 HydrophobicContact CD1-CG 4.02Å; G337-Q339 WeakPolarHBondContact O-CG 3.27Å; G337-Q339 PolarHBondContact O-N 3.22Å; G337-Q339 PolarHBondContact O-NE2 2.81Å; Q339-V343 HydrophobicContact CB-CB 4.42Å; Q339-Y344 HydrophobicContact CB-CE2 3.73Å; Q339-S415 PolarHBondContact O-OG 2.94Å; Q339-N419 PolarHBondContact N-ND2 3.37Å; Q339-N419 PolarHBondContact O-ND2 3.21Å | ||
| 340 | L | 78.5 | Confident | 80 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | trans | -81.9 | 158.1 | 179.5 | -61.9 | 179.1 | 0 | 0 | 0 | 111.4 | F342 V343 Y344 S415 L420 D606 | L340-F342 PolarHBondContact O-N 3.33Å; L340-V343 PolarHBondContact O-N 3.27Å; L340-Y344 WeakPolarHBondContact O-CD2 3.39Å; L340-S415 WeakPolarHBondContact CA-OG 2.95Å; L340-L420 HydrophobicContact CD2-CD2 3.62Å; L340-L420 HydrophobicContact CD2-CG 4.21Å; L340-D606 HydrophobicContact CB-CB 4.48Å; L340-D606 WeakPolarHBondContact CB-OD2 3.24Å; L340-D606 HydrophobicContact CD1-CB 3.4Å; L340-D606 VanDerWaalsContact CD1-CB 3.4Å | ||
| 341 | P | 77.5 | Confident | 79.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.5 | -31.3 | -174.3 | -30.6 | 38.2 | 0 | 0 | 0 | 113.3 | V343 Y344 L345 M412 S415 A416 L420 I462 | P341-V343 PolarHBondContact O-N 2.9Å; P341-Y344 WeakPolarHBondContact O-CB 3.49Å; P341-Y344 PolarHBondContact O-N 2.94Å; P341-L345 PolarHBondContact O-N 3.4Å; P341-M412 HydrophobicContact CB-CG 3.79Å; P341-S415 WeakPolarHBondContact CD-OG 3.45Å; P341-A416 HydrophobicContact CG-CB 3.77Å; P341-L420 HydrophobicContact CG-CD1 3.72Å; P341-L420 HydrophobicContact CG-CG 4.36Å; P341-I462 HydrophobicContact CB-CD1 3.93Å; P341-I462 HydrophobicContact CG-CD1 4.38Å |
| 342 | F | 76.9 | Confident | 79.6 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 179.1 | 177 | -108.4 | 0 | 0 | 0 | 113.9 | L340 Y344 L345 T346 L604 D606 | L340-F342 PolarHBondContact O-N 3.33Å; F342-Y344 PolarHBondContact O-N 3.45Å; F342-L345 HydrophobicContact CD2-CD2 4.43Å; F342-L345 CarbonylContact O-C 3.57Å; F342-L345 WeakPolarHBondContact O-CA 3.17Å; F342-L345 WeakPolarHBondContact O-CB 3.42Å; F342-L345 PolarHBondContact O-N 2.98Å; F342-T346 HydrophobicContact CD1-CG2 4.07Å; F342-T346 HydrophobicContact CD2-CG2 4.17Å; F342-T346 HydrophobicContact CE1-CG2 3.47Å; F342-T346 VanDerWaalsContact CE1-CG2 3.47Å; F342-T346 HydrophobicContact CE2-CG2 3.55Å; F342-T346 HydrophobicContact CG-CG2 4.39Å; F342-T346 HydrophobicContact CZ-CG2 3.18Å; F342-T346 WeakPolarHBondContact O-CG2 3.41Å; F342-T346 PolarHBondContact O-N 2.99Å; F342-L604 HydrophobicContact CD2-CD2 3.95Å; F342-L604 HydrophobicContact CE1-CB 4.45Å; F342-L604 HydrophobicContact CE2-CB 3.81Å; F342-L604 HydrophobicContact CE2-CD1 3.76Å; F342-L604 HydrophobicContact CE2-CD2 3.44Å; F342-L604 VanDerWaalsContact CE2-CD2 3.44Å; F342-L604 HydrophobicContact CE2-CG 3.86Å; F342-L604 HydrophobicContact CZ-CB 3.69Å; F342-L604 HydrophobicContact CZ-CD1 3.91Å; F342-L604 HydrophobicContact CZ-CD2 4.22Å; F342-L604 HydrophobicContact CZ-CG 4.16Å; F342-D606 WeakPolarHBondContact CB-OD1 3.48Å; F342-D606 WeakPolarHBondContact CB-OD2 3.19Å |
| 343 | V | 79.2 | Confident | 79.2 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | L305 Q339 L340 P341 T346 A347 | L305-V343 HydrophobicContact CB-CG1 4.16Å; L305-V343 HydrophobicContact CD1-CB 4.49Å; L305-V343 HydrophobicContact CD1-CG1 3.74Å; Q339-V343 HydrophobicContact CB-CB 4.42Å; L340-V343 PolarHBondContact O-N 3.27Å; P341-V343 PolarHBondContact O-N 2.9Å; V343-T346 PolarHBondContact O-N 3.22Å; V343-T346 PolarHBondContact O-OG1 3.41Å; V343-A347 WeakPolarHBondContact O-CB 3.43Å; V343-A347 PolarHBondContact O-N 3.41Å; V343-A347 VanDerWaalsContact O-N 3.12Å |
| 344 | Y | 83.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | 172.9 | -58.9 | -77.9 | 0 | 0 | 0 | 112.6 | H301 L305 L328 Q339 L340 P341 F342 A347 Y348 L408 A411 S415 | H301-Y344 PolarHBondContact CD2-OH 3.3Å; H301-Y344 AromaticContact NE2-CE1 3.5Å; H301-Y344 WeakPolarHBondContact NE2-CE1 3.34Å; H301-Y344 AromaticContact NE2-CZ 3.76Å; H301-Y344 PolarHBondContact NE2-OH 3.38Å; H301-Y344 VanDerWaalsContact NE2-OH 3.12Å; L305-Y344 HydrophobicContact CD1-CD1 3.93Å; L305-Y344 HydrophobicContact CD1-CE1 3.55Å; L305-Y344 HydrophobicContact CD2-CD1 3.62Å; L305-Y344 HydrophobicContact CD2-CE1 3.79Å; L305-Y344 HydrophobicContact CG-CD1 4.45Å; L305-Y344 HydrophobicContact CG-CE1 4.25Å; L328-Y344 HydrophobicContact CD2-CE1 4.43Å; Q339-Y344 HydrophobicContact CB-CE2 3.73Å; L340-Y344 WeakPolarHBondContact O-CD2 3.39Å; P341-Y344 WeakPolarHBondContact O-CB 3.49Å; P341-Y344 PolarHBondContact O-N 2.94Å; F342-Y344 PolarHBondContact O-N 3.45Å; Y344-A347 WeakPolarHBondContact O-CB 3.46Å; Y344-A347 PolarHBondContact O-N 2.8Å; Y344-Y348 VanDerWaalsContact O-CB 3.25Å; Y344-Y348 WeakPolarHBondContact O-CB 3.28Å; Y344-Y348 PolarHBondContact O-N 3.01Å; Y344-L408 HydrophobicContact CD1-CD2 4.16Å; Y344-A411 HydrophobicContact CD1-CB 3.4Å; Y344-A411 VanDerWaalsContact CD1-CB 3.4Å; Y344-A411 HydrophobicContact CE1-CB 3.43Å; Y344-A411 VanDerWaalsContact CE1-CB 3.43Å; Y344-A411 HydrophobicContact CG-CB 4.07Å; Y344-S415 VanDerWaalsContact CE2-CB 3.5Å |
| 345 | L | 78.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.8 | -175.1 | 57.4 | 0 | 0 | 0 | 112.6 | P341 F342 A347 Y348 I349 M412 L455 I458 | P341-L345 PolarHBondContact O-N 3.4Å; F342-L345 HydrophobicContact CD2-CD2 4.43Å; F342-L345 CarbonylContact O-C 3.57Å; F342-L345 WeakPolarHBondContact O-CA 3.17Å; F342-L345 WeakPolarHBondContact O-CB 3.42Å; F342-L345 PolarHBondContact O-N 2.98Å; L345-A347 VanDerWaalsContact C-N 3.33Å; L345-Y348 WeakPolarHBondContact O-CB 3.4Å; L345-Y348 PolarHBondContact O-N 3.45Å; L345-I349 HydrophobicContact CD1-CD1 4.27Å; L345-I349 HydrophobicContact CD1-CG1 4.39Å; L345-I349 HydrophobicContact CG-CD1 4.09Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 2.98Å; L345-I349 PolarHBondContact O-N 3.49Å; L345-M412 HydrophobicContact CB-CE 3.76Å; L345-M412 HydrophobicContact CD1-CE 3.82Å; L345-M412 HydrophobicContact CG-CE 4.36Å; L345-L455 HydrophobicContact CD2-CD2 3.32Å; L345-L455 HydrophobicContact CG-CD2 4.34Å; L345-I458 HydrophobicContact CD1-CD1 3.72Å; L345-I458 HydrophobicContact CD2-CD1 3.99Å; L345-I458 HydrophobicContact CD2-CG2 4.39Å |
| 346 | T | 75.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 175 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | F342 V343 A350 | F342-T346 HydrophobicContact CD1-CG2 4.07Å; F342-T346 HydrophobicContact CD2-CG2 4.17Å; F342-T346 HydrophobicContact CE1-CG2 3.47Å; F342-T346 VanDerWaalsContact CE1-CG2 3.47Å; F342-T346 HydrophobicContact CE2-CG2 3.55Å; F342-T346 HydrophobicContact CG-CG2 4.39Å; F342-T346 HydrophobicContact CZ-CG2 3.18Å; F342-T346 WeakPolarHBondContact O-CG2 3.41Å; F342-T346 PolarHBondContact O-N 2.99Å; V343-T346 PolarHBondContact O-N 3.22Å; V343-T346 PolarHBondContact O-OG1 3.41Å; T346-A350 WeakPolarHBondContact O-CB 3.09Å; T346-A350 PolarHBondContact O-N 3Å |
| 347 | A | 82.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L305 L308 V343 Y344 L345 I349 A350 V351 L408 | L305-A347 HydrophobicContact CD2-CB 4.13Å; L308-A347 HydrophobicContact CD1-CB 3.75Å; V343-A347 WeakPolarHBondContact O-CB 3.43Å; V343-A347 PolarHBondContact O-N 3.41Å; V343-A347 VanDerWaalsContact O-N 3.12Å; Y344-A347 WeakPolarHBondContact O-CB 3.46Å; Y344-A347 PolarHBondContact O-N 2.8Å; L345-A347 VanDerWaalsContact C-N 3.33Å; A347-I349 PolarHBondContact O-N 3.32Å; A347-A350 WeakPolarHBondContact O-CB 3.24Å; A347-A350 PolarHBondContact O-N 3.22Å; A347-A350 VanDerWaalsContact O-N 3.15Å; A347-V351 WeakPolarHBondContact O-CG2 3.27Å; A347-V351 PolarHBondContact O-N 3.35Å; A347-L408 HydrophobicContact CB-CD1 4.24Å; A347-L408 HydrophobicContact CB-CD2 3.9Å |
| 348 | Y | 83.2 | Confident | 77.6 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 178.6 | -175 | -78 | 0 | 0 | 0 | 111.2 | Y344 L345 A350 V351 E352 L405 L408 T409 P515 L516 M517 | Y344-Y348 VanDerWaalsContact O-CB 3.25Å; Y344-Y348 WeakPolarHBondContact O-CB 3.28Å; Y344-Y348 PolarHBondContact O-N 3.01Å; L345-Y348 WeakPolarHBondContact O-CB 3.4Å; L345-Y348 PolarHBondContact O-N 3.45Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 3.07Å; Y348-V351 PolarHBondContact O-N 3.12Å; Y348-V351 VanDerWaalsContact O-N 3.12Å; Y348-E352 HydrophobicContact CE1-CB 4.44Å; Y348-E352 WeakPolarHBondContact O-CB 3.36Å; Y348-E352 PolarHBondContact O-N 2.86Å; Y348-L405 HydrophobicContact CD1-CD2 4.16Å; Y348-L405 HydrophobicContact CD2-CB 4.46Å; Y348-L405 HydrophobicContact CD2-CD2 3.76Å; Y348-L405 HydrophobicContact CE1-CD2 4Å; Y348-L405 HydrophobicContact CE2-CB 3.84Å; Y348-L405 HydrophobicContact CE2-CD2 3.61Å; Y348-L405 HydrophobicContact CE2-CG 4.3Å; Y348-L405 WeakPolarHBondContact CE2-O 3.23Å; Y348-L405 HydrophobicContact CG-CD2 4.03Å; Y348-L408 HydrophobicContact CD2-CB 4.04Å; Y348-T409 WeakPolarHBondContact CE2-OG1 3.49Å; Y348-P515 VanDerWaalsContact OH-CB 3.25Å; Y348-P515 WeakPolarHBondContact OH-CB 3.44Å; Y348-L516 HydrophobicContact CE2-CB 4.08Å; Y348-L516 PolarHBondContact OH-N 3.37Å; Y348-M517 HydrophobicContact CE1-CB 3.78Å; Y348-M517 WeakPolarHBondContact OH-CB 3.18Å; Y348-M517 PolarHBondContact OH-N 3.23Å |
| 349 | I | 76 | Confident | 77.2 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -36.3 | 177.9 | -65.9 | 164.4 | 0 | 0 | 0 | 111 | L7 L345 A347 K353 | L7-I349 HydrophobicContact CD1-CG2 4.48Å; L7-I349 HydrophobicContact CD2-CB 4.02Å; L7-I349 HydrophobicContact CD2-CD1 3.77Å; L7-I349 HydrophobicContact CD2-CG2 3.72Å; L345-I349 HydrophobicContact CD1-CD1 4.27Å; L345-I349 HydrophobicContact CD1-CG1 4.39Å; L345-I349 HydrophobicContact CG-CD1 4.09Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 2.98Å; L345-I349 PolarHBondContact O-N 3.49Å; A347-I349 PolarHBondContact O-N 3.32Å; I349-K353 HydrophobicContact CG2-CD 4.35Å; I349-K353 WeakPolarHBondContact O-CB 3.14Å; I349-K353 VanDerWaalsContact O-CG 3.29Å; I349-K353 WeakPolarHBondContact O-CG 3.2Å; I349-K353 PolarHBondContact O-N 2.69Å |
| 350 | A | 75.4 | Confident | 76.2 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T346 A347 Y348 L354 | T346-A350 WeakPolarHBondContact O-CB 3.09Å; T346-A350 PolarHBondContact O-N 3Å; A347-A350 WeakPolarHBondContact O-CB 3.24Å; A347-A350 PolarHBondContact O-N 3.22Å; A347-A350 VanDerWaalsContact O-N 3.15Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 3.07Å; A350-L354 PolarHBondContact O-N 3.08Å |
| 351 | V | 82.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.3 | -42.1 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L312 A347 Y348 K353 L354 H355 L401 L405 L408 | L312-V351 HydrophobicContact CD1-CG1 4.39Å; L312-V351 HydrophobicContact CD1-CG2 3.82Å; A347-V351 WeakPolarHBondContact O-CG2 3.27Å; A347-V351 PolarHBondContact O-N 3.35Å; Y348-V351 PolarHBondContact O-N 3.12Å; Y348-V351 VanDerWaalsContact O-N 3.12Å; V351-K353 VanDerWaalsContact C-N 3.33Å; V351-K353 PolarHBondContact O-N 2.76Å; V351-L354 WeakPolarHBondContact O-CA 3.4Å; V351-L354 WeakPolarHBondContact O-CB 3.27Å; V351-L354 PolarHBondContact O-N 2.95Å; V351-H355 PolarHBondContact O-N 3.43Å; V351-L401 HydrophobicContact CG1-CD2 3.67Å; V351-L405 HydrophobicContact CB-CD2 3.92Å; V351-L405 HydrophobicContact CG1-CD2 3.66Å; V351-L405 HydrophobicContact CG1-CG 3.87Å; V351-L408 HydrophobicContact CB-CD1 4.44Å; V351-L408 HydrophobicContact CG2-CD1 3.95Å |
| 352 | E | 77.8 | Confident | 74.5 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.3 | -169.3 | -179.1 | -164.4 | 0 | 0 | 111.1 | Y348 L354 H355 D356 L405 M517 K521 | Y348-E352 HydrophobicContact CE1-CB 4.44Å; Y348-E352 WeakPolarHBondContact O-CB 3.36Å; Y348-E352 PolarHBondContact O-N 2.86Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.22Å; E352-H355 CarbonylContact O-C 3.6Å; E352-H355 WeakPolarHBondContact O-CA 3.3Å; E352-H355 VanDerWaalsContact O-CB 3.26Å; E352-H355 WeakPolarHBondContact O-CB 3.45Å; E352-H355 PolarHBondContact O-N 3.4Å; E352-D356 PolarHBondContact O-N 2.98Å; E352-L405 HydrophobicContact CB-CD2 4.34Å; E352-M517 WeakPolarHBondContact OE1-CG 3.43Å; E352-K521 IonicContact OE1-NZ 3.52Å |
| 353 | K | 76.7 | Confident | 73.4 | Confident | 75 Ų | 75 | 38.3 Ų | 38.3 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 172.7 | -76.8 | 173.1 | -177.6 | 173.1 | 0 | 113.2 | I349 V351 M357 | I349-K353 HydrophobicContact CG2-CD 4.35Å; I349-K353 WeakPolarHBondContact O-CB 3.14Å; I349-K353 VanDerWaalsContact O-CG 3.29Å; I349-K353 WeakPolarHBondContact O-CG 3.2Å; I349-K353 PolarHBondContact O-N 2.69Å; V351-K353 VanDerWaalsContact C-N 3.33Å; V351-K353 PolarHBondContact O-N 2.76Å; K353-M357 WeakPolarHBondContact O-CB 3.44Å; K353-M357 WeakPolarHBondContact O-CG 3.35Å; K353-M357 PolarHBondContact O-N 3.39Å |
| 354 | L | 77.1 | Confident | 72.1 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | 173.3 | -71 | 171.8 | 0 | 0 | 0 | 110.7 | K309 L312 A350 V351 E352 M357 L358 L394 L401 | K309-L354 HydrophobicContact CG-CD1 4.25Å; K309-L354 HydrophobicContact CG-CD2 4.5Å; L312-L354 HydrophobicContact CB-CD1 4.19Å; L312-L354 HydrophobicContact CD1-CD1 3.91Å; A350-L354 PolarHBondContact O-N 3.08Å; V351-L354 WeakPolarHBondContact O-CA 3.4Å; V351-L354 WeakPolarHBondContact O-CB 3.27Å; V351-L354 PolarHBondContact O-N 2.95Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.22Å; L354-M357 HydrophobicContact CD2-CE 3.67Å; L354-M357 PolarHBondContact O-N 2.96Å; L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.47Å; L354-L394 HydrophobicContact CD2-CD2 4.38Å; L354-L401 HydrophobicContact CB-CD2 4.06Å |
| 355 | H | 78.5 | Confident | 70.7 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.2 | -165.7 | 88.8 | 0 | 0 | 0 | 112 | V351 E352 M357 L358 S359 K398 L401 N402 | V351-H355 PolarHBondContact O-N 3.43Å; E352-H355 CarbonylContact O-C 3.6Å; E352-H355 WeakPolarHBondContact O-CA 3.3Å; E352-H355 VanDerWaalsContact O-CB 3.26Å; E352-H355 WeakPolarHBondContact O-CB 3.45Å; E352-H355 PolarHBondContact O-N 3.4Å; H355-M357 PolarHBondContact O-N 3.01Å; H355-L358 WeakPolarHBondContact O-CB 3.4Å; H355-L358 PolarHBondContact O-N 3.21Å; H355-S359 PolarHBondContact O-N 3.26Å; H355-S359 VanDerWaalsContact O-N 3.11Å; H355-K398 VanDerWaalsContact CE1-CE 3.44Å; H355-K398 WeakPolarHBondContact CE1-CE 3.17Å; H355-K398 WeakPolarHBondContact CE1-CG 3.02Å; H355-K398 WeakPolarHBondContact NE2-CE 3.21Å; H355-L401 HydrophobicContact CB-CD1 4.47Å; H355-N402 PolarHBondContact CE1-OD1 3.45Å; H355-N402 VanDerWaalsContact CE1-OD1 3.25Å |
| 356 | D | 70.2 | Confident | 69.4 | Low | 82 Ų | 82 | 60.1 Ų | 60.1 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.1 | -77.3 | -12.7 | 0 | 0 | 0 | 112.8 | E352 L358 S359 M360 | E352-D356 PolarHBondContact O-N 2.98Å; D356-L358 VanDerWaalsContact C-N 3.31Å; D356-L358 PolarHBondContact O-N 3.06Å; D356-S359 PolarHBondContact O-N 3.29Å; D356-S359 PolarHBondContact O-OG 3.34Å; D356-M360 WeakPolarHBondContact O-CB 3.49Å; D356-M360 VanDerWaalsContact O-CG 3.29Å; D356-M360 WeakPolarHBondContact O-CG 3.41Å; D356-M360 PolarHBondContact O-N 3.32Å |
| 357 | M | 70.8 | Confident | 68.1 | Low | 92 Ų | 92 | 64.1 Ų | 64.1 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.6 | -79.1 | -160.5 | -56.6 | 0 | 0 | 111.6 | K353 L354 H355 T361 L394 | K353-M357 WeakPolarHBondContact O-CB 3.44Å; K353-M357 WeakPolarHBondContact O-CG 3.35Å; K353-M357 PolarHBondContact O-N 3.39Å; L354-M357 HydrophobicContact CD2-CE 3.67Å; L354-M357 PolarHBondContact O-N 2.96Å; H355-M357 PolarHBondContact O-N 3.01Å; M357-T361 PolarHBondContact O-N 2.9Å; M357-T361 PolarHBondContact O-OG1 3.27Å; M357-L394 HydrophobicContact CE-CD1 3.92Å |
| 358 | L | 71.3 | Confident | 66.6 | Low | 28 Ų | 28 | 71 Ų | 71 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 175.9 | -73.2 | 177.2 | 0 | 0 | 0 | 112.1 | L354 H355 D356 M360 T361 A362 L394 I396 L401 | L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.47Å; H355-L358 WeakPolarHBondContact O-CB 3.4Å; H355-L358 PolarHBondContact O-N 3.21Å; D356-L358 VanDerWaalsContact C-N 3.31Å; D356-L358 PolarHBondContact O-N 3.06Å; L358-M360 VanDerWaalsContact C-N 3.3Å; L358-M360 PolarHBondContact O-N 3.41Å; L358-T361 VanDerWaalsContact CA-OG1 3.32Å; L358-T361 WeakPolarHBondContact CA-OG1 3.48Å; L358-T361 PolarHBondContact O-N 3.03Å; L358-T361 PolarHBondContact O-OG1 3.43Å; L358-A362 PolarHBondContact O-N 2.98Å; L358-L394 HydrophobicContact CD2-CB 3.89Å; L358-L394 WeakPolarHBondContact CD2-O 3.23Å; L358-I396 HydrophobicContact CD1-CB 4.12Å; L358-I396 VanDerWaalsContact CD1-O 3.3Å; L358-I396 WeakPolarHBondContact CD1-O 3.48Å; L358-L401 HydrophobicContact CD1-CD1 3.18Å; L358-L401 HydrophobicContact CG-CD1 4.37Å |
| 359 | S | 67.3 | Low | 65.1 | Low | 56 Ų | 56 | 75.7 Ų | 75.7 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 179 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | H355 D356 A362 N363 | H355-S359 PolarHBondContact O-N 3.26Å; H355-S359 VanDerWaalsContact O-N 3.11Å; D356-S359 PolarHBondContact O-N 3.29Å; D356-S359 PolarHBondContact O-OG 3.34Å; S359-A362 PolarHBondContact O-N 3.14Å; S359-N363 PolarHBondContact O-N 3.19Å |
| 360 | M | 61.4 | Low | 63.8 | Low | 101 Ų | 101 | 79.1 Ų | 79.1 | 50% | 0.498 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -41 | 173.5 | -76.8 | -74.9 | -163.4 | 0 | 0 | 113.2 | D356 L358 A362 N363 R364 | D356-M360 WeakPolarHBondContact O-CB 3.49Å; D356-M360 VanDerWaalsContact O-CG 3.29Å; D356-M360 WeakPolarHBondContact O-CG 3.41Å; D356-M360 PolarHBondContact O-N 3.32Å; L358-M360 VanDerWaalsContact C-N 3.3Å; L358-M360 PolarHBondContact O-N 3.41Å; M360-A362 VanDerWaalsContact C-N 3.33Å; M360-N363 PolarHBondContact O-N 3.46Å; M360-R364 WeakPolarHBondContact O-CB 3.49Å; M360-R364 WeakPolarHBondContact O-CG 3.39Å; M360-R364 PolarHBondContact O-N 2.65Å |
| 361 | T | 60.8 | Low | 62.4 | Low | 61 Ų | 61 | 86.1 Ų | 86.1 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 174.1 | 27.6 | 0 | 0 | 0 | 0 | 112.6 | M357 L358 R364 K365 | M357-T361 PolarHBondContact O-N 2.9Å; M357-T361 PolarHBondContact O-OG1 3.27Å; L358-T361 VanDerWaalsContact CA-OG1 3.32Å; L358-T361 WeakPolarHBondContact CA-OG1 3.48Å; L358-T361 PolarHBondContact O-N 3.03Å; L358-T361 PolarHBondContact O-OG1 3.43Å; T361-R364 PolarHBondContact O-N 2.91Å; T361-K365 WeakPolarHBondContact O-CG 3.27Å; T361-K365 PolarHBondContact O-N 2.98Å |
| 362 | A | 57.8 | Low | 60.9 | Low | 57 Ų | 57 | 89.4 Ų | 89.4 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L358 S359 M360 R364 K365 R366 | L358-A362 PolarHBondContact O-N 2.98Å; S359-A362 PolarHBondContact O-N 3.14Å; M360-A362 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 3.41Å; A362-K365 PolarHBondContact O-N 3.22Å; A362-R366 PolarHBondContact O-N 3.42Å |
| 363 | N | 54.9 | Low | 59.6 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.3 | -85.8 | -5.5 | 0 | 0 | 0 | 113 | S359 M360 R366 L367 | S359-N363 PolarHBondContact O-N 3.19Å; M360-N363 PolarHBondContact O-N 3.46Å; N363-R366 PolarHBondContact O-N 3.29Å; N363-L367 WeakPolarHBondContact O-CB 3.35Å; N363-L367 PolarHBondContact O-N 3.48Å |
| 364 | R | 52.8 | Low | 58.1 | Low | 175 Ų | 175 | 99.1 Ų | 99.1 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.5 | -33.7 | 175.5 | -79.7 | -175.8 | -174 | -178 | 1.8 | 113.3 | M360 T361 A362 K368 | M360-R364 WeakPolarHBondContact O-CB 3.49Å; M360-R364 WeakPolarHBondContact O-CG 3.39Å; M360-R364 PolarHBondContact O-N 2.65Å; T361-R364 PolarHBondContact O-N 2.91Å; A362-R364 PolarHBondContact O-N 3.41Å; R364-K368 VanDerWaalsContact O-CB 3.31Å; R364-K368 WeakPolarHBondContact O-CB 3.02Å; R364-K368 WeakPolarHBondContact O-CG 3.09Å; R364-K368 PolarHBondContact O-N 3.3Å |
| 365 | K | 54.5 | Low | 56.6 | Low | 143 Ų | 143 | 100.8 Ų | 100.8 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -52.5 | 170.3 | -80.7 | -176.3 | 174.4 | -174.7 | 0 | 109.2 | T361 A362 L367 K368 D369 | T361-K365 WeakPolarHBondContact O-CG 3.27Å; T361-K365 PolarHBondContact O-N 2.98Å; A362-K365 PolarHBondContact O-N 3.22Å; K365-L367 PolarHBondContact O-N 3.19Å; K365-K368 CarbonylContact O-C 3.52Å; K365-K368 WeakPolarHBondContact O-CA 3.44Å; K365-K368 WeakPolarHBondContact O-CB 3.46Å; K365-K368 PolarHBondContact O-N 3.08Å; K365-D369 PolarHBondContact O-N 2.76Å; K365-D369 VanDerWaalsContact O-OD2 3.07Å |
| 366 | R | 49.6 | Very low | 55.1 | Low | 179 Ų | 179 | 104.5 Ų | 104.5 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.8 | -47.3 | 175.8 | -128.8 | 177.1 | 175.4 | 175.4 | -2.2 | 113.6 | A362 N363 D369 I370 | A362-R366 PolarHBondContact O-N 3.42Å; N363-R366 PolarHBondContact O-N 3.29Å; R366-D369 PolarHBondContact O-N 2.85Å; R366-I370 WeakPolarHBondContact O-CD1 3.35Å; R366-I370 VanDerWaalsContact O-CG1 3.24Å; R366-I370 WeakPolarHBondContact O-CG1 3.4Å; R366-I370 PolarHBondContact O-N 3.24Å |
| 367 | L | 49.6 | Very low | 54.1 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -32.3 | 177 | -84.7 | 156 | 0 | 0 | 0 | 113.3 | N363 K365 R371 | N363-L367 WeakPolarHBondContact O-CB 3.35Å; N363-L367 PolarHBondContact O-N 3.48Å; K365-L367 PolarHBondContact O-N 3.19Å; L367-R371 VanDerWaalsContact O-CB 3.32Å; L367-R371 WeakPolarHBondContact O-CB 3.48Å; L367-R371 WeakPolarHBondContact O-CG 3.19Å; L367-R371 PolarHBondContact O-N 3.23Å |
| 368 | K | 51 | Low | 52.9 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 64% | 0.643 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.2 | -38.3 | 172.6 | -85.4 | -175.1 | 176.6 | -172.6 | 0 | 110.9 | R364 K365 I370 R371 V372 | R364-K368 VanDerWaalsContact O-CB 3.31Å; R364-K368 WeakPolarHBondContact O-CB 3.02Å; R364-K368 WeakPolarHBondContact O-CG 3.09Å; R364-K368 PolarHBondContact O-N 3.3Å; K365-K368 CarbonylContact O-C 3.52Å; K365-K368 WeakPolarHBondContact O-CA 3.44Å; K365-K368 WeakPolarHBondContact O-CB 3.46Å; K365-K368 PolarHBondContact O-N 3.08Å; K368-I370 VanDerWaalsContact C-N 3.35Å; K368-R371 CarbonylContact O-C 3.54Å; K368-R371 PolarHBondContact O-N 2.7Å; K368-V372 WeakPolarHBondContact O-CA 3.44Å; K368-V372 WeakPolarHBondContact O-CB 3.47Å; K368-V372 WeakPolarHBondContact O-CG2 3.36Å; K368-V372 PolarHBondContact O-N 3.2Å |
| 369 | D | 50.5 | Low | 51.5 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 177.9 | -58.6 | -28.1 | 0 | 0 | 0 | 109.6 | K365 R366 V372 E373 | K365-D369 PolarHBondContact O-N 2.76Å; K365-D369 VanDerWaalsContact O-OD2 3.07Å; R366-D369 PolarHBondContact O-N 2.85Å; D369-V372 PolarHBondContact O-N 3.19Å; D369-E373 PolarHBondContact O-N 3.03Å |
| 370 | I | 49.1 | Very low | 50.4 | Low | 94 Ų | 94 | 122 Ų | 122 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.8 | -45 | 173.3 | -62.4 | 161.7 | 0 | 0 | 0 | 111.8 | R366 K368 E373 E374 | R366-I370 WeakPolarHBondContact O-CD1 3.35Å; R366-I370 VanDerWaalsContact O-CG1 3.24Å; R366-I370 WeakPolarHBondContact O-CG1 3.4Å; R366-I370 PolarHBondContact O-N 3.24Å; K368-I370 VanDerWaalsContact C-N 3.35Å; I370-E373 PolarHBondContact O-N 3.44Å; I370-E374 PolarHBondContact O-N 2.95Å |
| 371 | R | 46.8 | Very low | 49.5 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.9 | -22.1 | 179.7 | -76.8 | -175.1 | -173.7 | 173.8 | 1.8 | 114 | L367 K368 E373 E374 S375 | L367-R371 VanDerWaalsContact O-CB 3.32Å; L367-R371 WeakPolarHBondContact O-CB 3.48Å; L367-R371 WeakPolarHBondContact O-CG 3.19Å; L367-R371 PolarHBondContact O-N 3.23Å; K368-R371 CarbonylContact O-C 3.54Å; K368-R371 PolarHBondContact O-N 2.7Å; R371-E373 VanDerWaalsContact C-N 3.34Å; R371-E374 PolarHBondContact O-N 3.46Å; R371-S375 WeakPolarHBondContact O-CA 3.49Å; R371-S375 WeakPolarHBondContact O-CB 3.42Å; R371-S375 PolarHBondContact O-N 2.79Å; R371-S375 PolarHBondContact O-OG 2.64Å |
| 372 | V | 51.2 | Low | 48.4 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 42% | 0.418 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.7 | -34.9 | 175.1 | 164.6 | 0 | 0 | 0 | 0 | 108.7 | K368 D369 N376 | K368-V372 WeakPolarHBondContact O-CA 3.44Å; K368-V372 WeakPolarHBondContact O-CB 3.47Å; K368-V372 WeakPolarHBondContact O-CG2 3.36Å; K368-V372 PolarHBondContact O-N 3.2Å; D369-V372 PolarHBondContact O-N 3.19Å; V372-N376 WeakPolarHBondContact CG1-ND2 3.49Å; V372-N376 WeakPolarHBondContact O-CB 3.48Å; V372-N376 PolarHBondContact O-N 3.06Å; V372-N376 PolarHBondContact O-ND2 2.92Å; V372-N376 PolarHBondContact O-OD1 3.12Å |
| 373 | E | 49 | Very low | 47.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.9 | -43.9 | 168.9 | -76.4 | -177.9 | 158.2 | 0 | 0 | 112.3 | D369 I370 R371 | D369-E373 PolarHBondContact O-N 3.03Å; I370-E373 PolarHBondContact O-N 3.44Å; R371-E373 VanDerWaalsContact C-N 3.34Å |
| 374 | E | 46.2 | Very low | 46.2 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.1 | -36.5 | 179.1 | -69.6 | -178.2 | 154.5 | 0 | 0 | 113.8 | I370 R371 | I370-E374 PolarHBondContact O-N 2.95Å; R371-E374 PolarHBondContact O-N 3.46Å |
| 375 | S | 46.4 | Very low | 45.3 | Very low | 39 Ų | 39 | 142.4 Ų | 142.4 | 27% | 0.273 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -88.6 | -15.7 | -173.4 | -55 | 0 | 0 | 0 | 0 | 113.5 | R371 K377 I378 R379 | R371-S375 WeakPolarHBondContact O-CA 3.49Å; R371-S375 WeakPolarHBondContact O-CB 3.42Å; R371-S375 PolarHBondContact O-N 2.79Å; R371-S375 PolarHBondContact O-OG 2.64Å; S375-K377 PolarHBondContact O-N 3.01Å; S375-I378 PolarHBondContact O-N 3.35Å; S375-R379 WeakPolarHBondContact O-CB 3.1Å; S375-R379 PolarHBondContact O-N 3.18Å |
| 376 | N | 47.2 | Very low | 44.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -17.6 | 173.2 | -80.9 | -9.9 | 0 | 0 | 0 | 112.3 | V372 | V372-N376 WeakPolarHBondContact CG1-ND2 3.49Å; V372-N376 WeakPolarHBondContact O-CB 3.48Å; V372-N376 PolarHBondContact O-N 3.06Å; V372-N376 PolarHBondContact O-ND2 2.92Å; V372-N376 PolarHBondContact O-OD1 3.12Å |
| 377 | K | 49.1 | Very low | 43.5 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -23.3 | 169.2 | -87.1 | -176 | 175.2 | 177.9 | 0 | 114.7 | S375 | S375-K377 PolarHBondContact O-N 3.01Š|
| 378 | I | 45.4 | Very low | 42.6 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | -26.3 | -169.9 | -57.2 | 177.1 | 0 | 0 | 0 | 112.3 | S375 | S375-I378 PolarHBondContact O-N 3.35Š|
| 379 | R | 41.8 | Very low | 41.8 | Very low | 188 Ų | 188 | 147 Ų | 147 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -95.1 | -3.8 | -165.1 | -147.6 | 168.9 | -175.4 | 143.9 | 4.9 | 115.6 | S375 K381 | S375-R379 WeakPolarHBondContact O-CB 3.1Å; S375-R379 PolarHBondContact O-N 3.18Å; R379-K381 PolarHBondContact O-N 2.94Å |
| 380 | S | 44.3 | Very low | 41 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -65.1 | -10.6 | 171.2 | 41.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 381 | K | 41.8 | Very low | 40.5 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -99.2 | -17.1 | -178.1 | -118.2 | 176.2 | -178.6 | 175.7 | 0 | 116.9 | R379 | R379-K381 PolarHBondContact O-N 2.94Š|
| 382 | Y | 37 | Very low | 40.5 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -122.1 | 90.5 | -175.9 | -69.1 | -81.1 | 0 | 0 | 0 | 112.5 | ||||
| 383 | L | 34.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 158 Ų | 158 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 145.2 | 173.2 | -82.8 | 149.8 | 0 | 0 | 0 | 113 | ||||
| 384 | Y | 33.9 | Very low | 40.7 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | trans | 96 | 126.1 | 138.4 | -102.2 | -124.8 | 0 | 0 | 0 | 122.7 | ||||
| 385 | R | 33.7 | Very low | 41.4 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | trans | 70.4 | 55.2 | 145 | -72.4 | 175 | -176.3 | 158.2 | 4.2 | 120.3 | ||||
| 386 | S | 34.5 | Very low | 42.4 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -93.9 | 123 | 146.1 | 96.8 | 0 | 0 | 0 | 0 | 109.4 | K388 | S386-K388 PolarHBondContact O-N 3.01Š| ||
| 387 | R | 30.1 | Very low | 43.8 | Very low | 251 Ų | 251 | 149.7 Ų | 149.7 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | trans | -46 | 103.5 | 179.3 | -69.3 | 172.8 | 175 | 160.2 | -2.3 | 110.7 | S389 | R387-S389 VanDerWaalsContact C-N 3.34Å; R387-S389 PolarHBondContact O-N 2.73Å | ||
| 388 | K | 31.7 | Very low | 45.3 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 68% | 0.684 | S | S | * | * | trans | -59.3 | 97.1 | 168.9 | -75 | 179.5 | 179.1 | 175.2 | 0 | 107.6 | S386 R390 | S386-K388 PolarHBondContact O-N 3.01Å; K388-R390 PolarHBondContact O-N 2.82Å | ||
| 389 | S | 33.7 | Very low | 47 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 109.8 | 161.2 | 53.7 | 0 | 0 | 0 | 0 | 106 | R387 V391 | R387-S389 VanDerWaalsContact C-N 3.34Å; R387-S389 PolarHBondContact O-N 2.73Å; S389-V391 PolarHBondContact O-N 2.61Å | ||
| 390 | R | 34 | Very low | 49 | Very low | 242 Ų | 242 | 138.5 Ų | 138.5 | 91% | 0.913 | 65% | 0.651 | S | S | * | * | trans | -63.7 | 81.2 | 175.8 | -67.4 | 177.6 | -179 | 158.6 | -2.1 | 108 | K388 R392 | K388-R390 PolarHBondContact O-N 2.82Å; R390-R392 VanDerWaalsContact C-N 3.32Å; R390-R392 PolarHBondContact O-N 3.13Å | ||
| 391 | V | 39 | Very low | 50.9 | Low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | trans | -68.7 | 98.9 | 164.9 | -178.9 | 0 | 0 | 0 | 0 | 104.8 | S389 S393 | S389-V391 PolarHBondContact O-N 2.61Å; V391-S393 PolarHBondContact O-N 3.34Å; V391-S393 VanDerWaalsContact O-N 3.13Å | ||
| 392 | R | 45.5 | Very low | 52.9 | Low | 227 Ų | 227 | 127.8 Ų | 127.8 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | trans | -48.1 | 122.4 | 172.1 | -71.7 | -179.9 | 178.4 | 169.1 | -1.7 | 107.4 | R390 L394 | R390-R392 VanDerWaalsContact C-N 3.32Å; R390-R392 PolarHBondContact O-N 3.13Å; R392-L394 PolarHBondContact O-N 2.81Å | ||
| 393 | S | 49.4 | Very low | 55.3 | Low | 85 Ų | 85 | 123.6 Ų | 123.6 | 59% | 0.594 | 58% | 0.579 | S | S | * | * | trans | -59.9 | 111.1 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | V391 N395 | V391-S393 PolarHBondContact O-N 3.34Å; V391-S393 VanDerWaalsContact O-N 3.13Å; S393-N395 PolarHBondContact O-N 3.5Å | ||
| 394 | L | 55.2 | Low | 57.9 | Low | 51 Ų | 51 | 116.5 Ų | 116.5 | 27% | 0.267 | 54% | 0.542 | S | S | . | . | trans | -70.7 | 92.9 | 172 | -75.2 | 149.7 | 0 | 0 | 0 | 107.5 | L354 M357 L358 R392 I396 | L354-L394 HydrophobicContact CD2-CD2 4.38Å; M357-L394 HydrophobicContact CE-CD1 3.92Å; L358-L394 HydrophobicContact CD2-CB 3.89Å; L358-L394 WeakPolarHBondContact CD2-O 3.23Å; R392-L394 PolarHBondContact O-N 2.81Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 HydrophobicContact CD2-CD1 3.68Å; L394-I396 HydrophobicContact CD2-CG1 4.44Å; L394-I396 PolarHBondContact O-N 3.27Å | ||
| 395 | N | 61.9 | Low | 60.4 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | trans | -81.7 | 82.9 | 164.7 | -96.1 | 7.8 | 0 | 0 | 0 | 107.2 | S393 | S393-N395 PolarHBondContact O-N 3.5Š| ||
| 396 | I | 67.8 | Low | 62.8 | Low | 23 Ų | 23 | 102.1 Ų | 102.1 | 12% | 0.118 | 49% | 0.493 | C | S | . | . | trans | -123.2 | 131.5 | 172.1 | -58.1 | 172.9 | 0 | 0 | 0 | 106.5 | L312 L358 L394 L401 | L312-I396 HydrophobicContact CB-CD1 4.44Å; L312-I396 WeakPolarHBondContact O-CD1 3.46Å; L358-I396 HydrophobicContact CD1-CB 4.12Å; L358-I396 VanDerWaalsContact CD1-O 3.3Å; L358-I396 WeakPolarHBondContact CD1-O 3.48Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 HydrophobicContact CD2-CD1 3.68Å; L394-I396 HydrophobicContact CD2-CG1 4.44Å; L394-I396 PolarHBondContact O-N 3.27Å; I396-L401 HydrophobicContact CB-CD1 4.44Å; I396-L401 HydrophobicContact CG2-CD1 3.7Å; I396-L401 HydrophobicContact CG2-CD2 4.31Å; I396-L401 HydrophobicContact CG2-CG 3.79Å | ||
| 397 | N | 76.7 | Confident | 65.3 | Low | 91 Ų | 91 | 97.1 Ų | 97.1 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | trans | -70.3 | 135.2 | 178.7 | -173.6 | -4.6 | 0 | 0 | 0 | 110.3 | E399 L400 L401 | N397-E399 VanDerWaalsContact C-N 3.3Å; N397-E399 PolarHBondContact O-N 3.09Å; N397-E399 PolarHBondContact OD1-N 3.35Å; N397-E399 VanDerWaalsContact OD1-N 3.12Å; N397-L400 HydrophobicContact CB-CB 4.2Å; N397-L400 PolarHBondContact O-N 3.1Å; N397-L401 PolarHBondContact O-N 3.25Å | ||
| 398 | K | 79 | Confident | 68 | Low | 129 Ų | 129 | 85.2 Ų | 85.2 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 176.7 | -168.7 | -177.5 | 179.2 | -174.5 | 0 | 111.8 | H355 L401 N402 | H355-K398 VanDerWaalsContact CE1-CE 3.44Å; H355-K398 WeakPolarHBondContact CE1-CE 3.17Å; H355-K398 WeakPolarHBondContact CE1-CG 3.02Å; H355-K398 WeakPolarHBondContact NE2-CE 3.21Å; K398-L401 PolarHBondContact O-N 3.24Å; K398-N402 PolarHBondContact O-N 3.08Å; K398-N402 VanDerWaalsContact O-N 3.14Å |
| 399 | E | 81.1 | Confident | 70.3 | Confident | 131 Ų | 131 | 76.2 Ų | 76.2 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 178.5 | -68 | 177.2 | 166.5 | 0 | 0 | 112.2 | N397 L401 N402 K403 | N397-E399 VanDerWaalsContact C-N 3.3Å; N397-E399 PolarHBondContact O-N 3.09Å; N397-E399 PolarHBondContact OD1-N 3.35Å; N397-E399 VanDerWaalsContact OD1-N 3.12Å; E399-L401 VanDerWaalsContact C-N 3.35Å; E399-L401 PolarHBondContact O-N 3.08Å; E399-N402 WeakPolarHBondContact O-CB 3.33Å; E399-N402 PolarHBondContact O-N 2.99Å; E399-K403 PolarHBondContact O-N 3.01Å |
| 400 | L | 84.8 | Confident | 72.6 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.8 | -176.1 | 68.2 | 0 | 0 | 0 | 110.6 | H321 N397 N402 K403 Y404 | H321-L400 HydrophobicContact CB-CD1 4.19Å; N397-L400 HydrophobicContact CB-CB 4.2Å; N397-L400 PolarHBondContact O-N 3.1Å; L400-N402 VanDerWaalsContact C-N 3.29Å; L400-N402 PolarHBondContact O-N 3.25Å; L400-K403 WeakPolarHBondContact O-CB 2.96Å; L400-K403 PolarHBondContact O-N 3.39Å; L400-K403 VanDerWaalsContact O-N 3.15Å; L400-Y404 HydrophobicContact CD1-CD2 4.35Å; L400-Y404 HydrophobicContact CD1-CE2 4.02Å; L400-Y404 HydrophobicContact CG-CD2 4.26Å; L400-Y404 HydrophobicContact CG-CE2 4.17Å; L400-Y404 WeakPolarHBondContact O-CD2 2.96Å; L400-Y404 PolarHBondContact O-N 3.09Å; L400-Y404 VanDerWaalsContact O-N 3.09Å |
| 401 | L | 84.7 | Confident | 75 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.2 | -71.3 | 164.5 | 0 | 0 | 0 | 112 | L312 V351 L354 H355 L358 I396 N397 K398 E399 K403 Y404 L405 | L312-L401 HydrophobicContact CD1-CD2 4.2Å; V351-L401 HydrophobicContact CG1-CD2 3.67Å; L354-L401 HydrophobicContact CB-CD2 4.06Å; H355-L401 HydrophobicContact CB-CD1 4.47Å; L358-L401 HydrophobicContact CD1-CD1 3.18Å; L358-L401 HydrophobicContact CG-CD1 4.37Å; I396-L401 HydrophobicContact CB-CD1 4.44Å; I396-L401 HydrophobicContact CG2-CD1 3.7Å; I396-L401 HydrophobicContact CG2-CD2 4.31Å; I396-L401 HydrophobicContact CG2-CG 3.79Å; N397-L401 PolarHBondContact O-N 3.25Å; K398-L401 PolarHBondContact O-N 3.24Å; E399-L401 VanDerWaalsContact C-N 3.35Å; E399-L401 PolarHBondContact O-N 3.08Å; L401-K403 PolarHBondContact O-N 3.28Å; L401-Y404 WeakPolarHBondContact O-CB 3.37Å; L401-Y404 PolarHBondContact O-N 3.38Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.26Å |
| 402 | N | 83.5 | Confident | 77.1 | Confident | 60.5 Ų | 60.5 | 60 Ų | 60 | 32% | 0.324 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.3 | -72.2 | -5.6 | 0 | 0 | 0 | 112.1 | H355 K398 E399 L400 Y404 L405 L406 | H355-N402 PolarHBondContact CE1-OD1 3.45Å; H355-N402 VanDerWaalsContact CE1-OD1 3.25Å; K398-N402 PolarHBondContact O-N 3.08Å; K398-N402 VanDerWaalsContact O-N 3.14Å; E399-N402 WeakPolarHBondContact O-CB 3.33Å; E399-N402 PolarHBondContact O-N 2.99Å; L400-N402 VanDerWaalsContact C-N 3.29Å; L400-N402 PolarHBondContact O-N 3.25Å; N402-Y404 VanDerWaalsContact C-N 3.32Å; N402-Y404 PolarHBondContact O-N 3.1Å; N402-L405 PolarHBondContact O-N 3.34Å; N402-L406 WeakPolarHBondContact O-CG 3.16Å; N402-L406 PolarHBondContact O-N 3.07Å |
| 403 | K | 87 | Confident | 78.6 | Confident | 110.5 Ų | 110.5 | 50.9 Ų | 50.9 | 48% | 0.48 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 173.2 | -68.5 | -179 | 179.1 | -175.8 | 0 | 111.7 | L325 E399 L400 L401 L406 A407 | L325-K403 HydrophobicContact CD1-CB 4.09Å; L325-K403 HydrophobicContact CD1-CD 4.4Å; L325-K403 HydrophobicContact CD2-CB 4.22Å; E399-K403 PolarHBondContact O-N 3.01Å; L400-K403 WeakPolarHBondContact O-CB 2.96Å; L400-K403 PolarHBondContact O-N 3.39Å; L400-K403 VanDerWaalsContact O-N 3.15Å; L401-K403 PolarHBondContact O-N 3.28Å; K403-L406 PolarHBondContact O-N 3.28Å; K403-A407 WeakPolarHBondContact O-CB 3.28Å; K403-A407 PolarHBondContact O-N 3.37Å |
| 404 | Y | 89.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.8 | -86.3 | -100 | 0 | 0 | 0 | 112.6 | L308 L312 H321 V324 L325 L328 L400 L401 N402 L406 A407 L408 | L308-Y404 HydrophobicContact CD2-CD1 4.07Å; L308-Y404 HydrophobicContact CD2-CE1 3.69Å; L312-Y404 HydrophobicContact CD2-CD1 4.46Å; L312-Y404 HydrophobicContact CD2-CD2 3.92Å; L312-Y404 HydrophobicContact CD2-CE1 4.3Å; L312-Y404 HydrophobicContact CD2-CE2 3.79Å; L312-Y404 HydrophobicContact CD2-CG 4.27Å; H321-Y404 HydrophobicContact CB-CE2 4.44Å; H321-Y404 AromaticContact ND1-CE2 3.81Å; H321-Y404 AromaticContact ND1-CZ 3.75Å; H321-Y404 PolarHBondContact ND1-OH 3.21Å; H321-Y404 PolarHBondContact O-OH 2.93Å; V324-Y404 HydrophobicContact CB-CE1 4.5Å; V324-Y404 HydrophobicContact CG1-CE1 3.64Å; L325-Y404 HydrophobicContact CD1-CD2 4.46Å; L325-Y404 HydrophobicContact CD1-CE2 4.13Å; L325-Y404 HydrophobicContact CD2-CD1 4.18Å; L325-Y404 HydrophobicContact CD2-CD2 3.71Å; L325-Y404 HydrophobicContact CD2-CE1 4.36Å; L325-Y404 HydrophobicContact CD2-CE2 3.87Å; L325-Y404 HydrophobicContact CD2-CG 3.86Å; L325-Y404 HydrophobicContact CG-CD2 4.22Å; L325-Y404 HydrophobicContact CG-CE2 3.87Å; L328-Y404 HydrophobicContact CD1-CD1 4.12Å; L328-Y404 HydrophobicContact CD1-CE1 4.27Å; L400-Y404 HydrophobicContact CD1-CD2 4.35Å; L400-Y404 HydrophobicContact CD1-CE2 4.02Å; L400-Y404 HydrophobicContact CG-CD2 4.26Å; L400-Y404 HydrophobicContact CG-CE2 4.17Å; L400-Y404 WeakPolarHBondContact O-CD2 2.96Å; L400-Y404 PolarHBondContact O-N 3.09Å; L400-Y404 VanDerWaalsContact O-N 3.09Å; L401-Y404 WeakPolarHBondContact O-CB 3.37Å; L401-Y404 PolarHBondContact O-N 3.38Å; N402-Y404 VanDerWaalsContact C-N 3.32Å; N402-Y404 PolarHBondContact O-N 3.1Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 3.12Å; Y404-A407 PolarHBondContact O-N 3.39Å; Y404-L408 WeakPolarHBondContact O-CB 3.27Å; Y404-L408 VanDerWaalsContact O-CG 3.25Å; Y404-L408 WeakPolarHBondContact O-CG 3.36Å; Y404-L408 PolarHBondContact O-N 3.03Å |
| 405 | L | 85.6 | Confident | 81.4 | Confident | 12.5 Ų | 12.5 | 45.4 Ų | 45.4 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 177.3 | -68 | 171.1 | 0 | 0 | 0 | 111.9 | Y348 V351 E352 L401 N402 T409 P515 | Y348-L405 HydrophobicContact CD1-CD2 4.16Å; Y348-L405 HydrophobicContact CD2-CB 4.46Å; Y348-L405 HydrophobicContact CD2-CD2 3.76Å; Y348-L405 HydrophobicContact CE1-CD2 4Å; Y348-L405 HydrophobicContact CE2-CB 3.84Å; Y348-L405 HydrophobicContact CE2-CD2 3.61Å; Y348-L405 HydrophobicContact CE2-CG 4.3Å; Y348-L405 WeakPolarHBondContact CE2-O 3.23Å; Y348-L405 HydrophobicContact CG-CD2 4.03Å; V351-L405 HydrophobicContact CB-CD2 3.92Å; V351-L405 HydrophobicContact CG1-CD2 3.66Å; V351-L405 HydrophobicContact CG1-CG 3.87Å; E352-L405 HydrophobicContact CB-CD2 4.34Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.26Å; N402-L405 PolarHBondContact O-N 3.34Å; L405-T409 WeakPolarHBondContact O-CB 3.39Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.23Å; L405-P515 HydrophobicContact CB-CB 4.14Å; L405-P515 HydrophobicContact CB-CG 4.37Å |
| 406 | L | 84 | Confident | 82.2 | Confident | 78.5 Ų | 78.5 | 40.4 Ų | 40.4 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.6 | -49.1 | 173.5 | -74.4 | 166.1 | 0 | 0 | 0 | 111.6 | N402 K403 Y404 L408 T409 K410 P515 | N402-L406 WeakPolarHBondContact O-CG 3.16Å; N402-L406 PolarHBondContact O-N 3.07Å; K403-L406 PolarHBondContact O-N 3.28Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 3.12Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.21Å; L406-T409 WeakPolarHBondContact O-CB 3.2Å; L406-T409 PolarHBondContact O-N 3.15Å; L406-T409 VanDerWaalsContact O-N 3.16Å; L406-K410 PolarHBondContact O-N 2.95Å; L406-P515 HydrophobicContact CD2-CG 3.89Å |
| 407 | A | 86.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L325 L328 K403 Y404 T409 K410 A411 | L325-A407 HydrophobicContact CD2-CB 3.85Å; L328-A407 HydrophobicContact CB-CB 4.04Å; L328-A407 HydrophobicContact CD1-CB 4.46Å; K403-A407 WeakPolarHBondContact O-CB 3.28Å; K403-A407 PolarHBondContact O-N 3.37Å; Y404-A407 PolarHBondContact O-N 3.39Å; A407-T409 VanDerWaalsContact C-N 3.34Å; A407-T409 PolarHBondContact O-N 3.32Å; A407-K410 PolarHBondContact O-N 3.03Å; A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.15Å |
| 408 | L | 86.9 | Confident | 82.9 | Confident | 0.5 Ų | 0.5 | 47.8 Ų | 47.8 | 0% | 0.003 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 176.7 | -73.8 | 169.3 | 0 | 0 | 0 | 112.8 | L305 L308 L328 Y344 A347 Y348 V351 Y404 L406 A411 M412 | L305-L408 HydrophobicContact CD2-CD2 3.85Å; L308-L408 HydrophobicContact CD1-CD1 4.25Å; L308-L408 HydrophobicContact CD1-CD2 4.03Å; L328-L408 HydrophobicContact CD1-CD2 4.22Å; L328-L408 HydrophobicContact CD1-CG 4.42Å; L328-L408 HydrophobicContact CD2-CD2 4.2Å; Y344-L408 HydrophobicContact CD1-CD2 4.16Å; A347-L408 HydrophobicContact CB-CD1 4.24Å; A347-L408 HydrophobicContact CB-CD2 3.9Å; Y348-L408 HydrophobicContact CD2-CB 4.04Å; V351-L408 HydrophobicContact CB-CD1 4.44Å; V351-L408 HydrophobicContact CG2-CD1 3.95Å; Y404-L408 WeakPolarHBondContact O-CB 3.27Å; Y404-L408 VanDerWaalsContact O-CG 3.25Å; Y404-L408 WeakPolarHBondContact O-CG 3.36Å; Y404-L408 PolarHBondContact O-N 3.03Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.21Å; L408-A411 PolarHBondContact O-N 3.14Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 PolarHBondContact O-N 3.02Å |
| 409 | T | 80.8 | Confident | 83 | Confident | 9.5 Ų | 9.5 | 43.1 Ų | 43.1 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 175.1 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | Y348 L405 L406 A407 M412 S413 L496 P515 L516 | Y348-T409 WeakPolarHBondContact CE2-OG1 3.49Å; L405-T409 WeakPolarHBondContact O-CB 3.39Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.23Å; L406-T409 WeakPolarHBondContact O-CB 3.2Å; L406-T409 PolarHBondContact O-N 3.15Å; L406-T409 VanDerWaalsContact O-N 3.16Å; A407-T409 VanDerWaalsContact C-N 3.34Å; A407-T409 PolarHBondContact O-N 3.32Å; T409-M412 PolarHBondContact O-N 3.3Å; T409-S413 PolarHBondContact O-N 3.31Å; T409-S413 PolarHBondContact O-OG 3.33Å; T409-L496 HydrophobicContact CG2-CD2 4.2Å; T409-P515 HydrophobicContact CG2-CB 3.84Å; T409-L516 HydrophobicContact CG2-CB 3.82Å; T409-L516 HydrophobicContact CG2-CD1 4.42Å; T409-L516 PolarHBondContact OG1-N 2.78Å |
| 410 | K | 81.7 | Confident | 82.9 | Confident | 99 Ų | 99 | 37.5 Ų | 37.5 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 174.6 | -170.8 | -173.4 | -179.1 | -161.6 | 0 | 111.3 | S329 L406 A407 M412 S413 L414 | S329-K410 PolarHBondContact O-NZ 3.4Å; L406-K410 PolarHBondContact O-N 2.95Å; A407-K410 PolarHBondContact O-N 3.03Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 3.07Å; K410-S413 PolarHBondContact O-N 3.07Å; K410-S413 VanDerWaalsContact O-N 3.14Å; K410-S413 PolarHBondContact O-OG 3.33Å; K410-L414 HydrophobicContact CG-CD1 4.16Å; K410-L414 VanDerWaalsContact O-CG 3.3Å; K410-L414 WeakPolarHBondContact O-CG 3.4Å; K410-L414 PolarHBondContact O-N 3.36Å |
| 411 | A | 85.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L328 V334 Y344 A407 L408 L414 S415 | L328-A411 VanDerWaalsContact O-CB 3.31Å; L328-A411 WeakPolarHBondContact O-CB 3.34Å; V334-A411 HydrophobicContact CG2-CB 4.21Å; Y344-A411 HydrophobicContact CD1-CB 3.4Å; Y344-A411 VanDerWaalsContact CD1-CB 3.4Å; Y344-A411 HydrophobicContact CE1-CB 3.43Å; Y344-A411 VanDerWaalsContact CE1-CB 3.43Å; Y344-A411 HydrophobicContact CG-CB 4.07Å; A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.15Å; L408-A411 PolarHBondContact O-N 3.14Å; A411-L414 PolarHBondContact O-N 3.38Å; A411-S415 VanDerWaalsContact O-CB 3.22Å; A411-S415 WeakPolarHBondContact O-CB 3.28Å; A411-S415 PolarHBondContact O-N 2.95Å |
| 412 | M | 82.4 | Confident | 82.3 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.9 | -169.7 | -176.3 | 11.8 | 0 | 0 | 112.2 | P341 L345 L408 T409 K410 A416 I458 L516 M517 | P341-M412 HydrophobicContact CB-CG 3.79Å; L345-M412 HydrophobicContact CB-CE 3.76Å; L345-M412 HydrophobicContact CD1-CE 3.82Å; L345-M412 HydrophobicContact CG-CE 4.36Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 PolarHBondContact O-N 3.02Å; T409-M412 PolarHBondContact O-N 3.3Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 3.07Å; M412-A416 WeakPolarHBondContact O-CB 3.3Å; M412-A416 PolarHBondContact O-N 3.2Å; M412-I458 HydrophobicContact SD-CG2 4.41Å; M412-L516 HydrophobicContact CE-CD2 3.93Å; M412-L516 HydrophobicContact SD-CD2 3.74Å; M412-M517 HydrophobicContact CE-CG 3.87Å; M412-M517 HydrophobicContact CE-SD 3.9Å; M412-M517 HydrophobicContact SD-CG 4.45Å; M412-M517 HydrophobicContact SD-SD 4.28Å |
| 413 | S | 76.3 | Confident | 82.1 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.4 | 59 | 0 | 0 | 0 | 0 | 113.1 | T409 K410 A416 R417 | T409-S413 PolarHBondContact O-N 3.31Å; T409-S413 PolarHBondContact O-OG 3.33Å; K410-S413 PolarHBondContact O-N 3.07Å; K410-S413 VanDerWaalsContact O-N 3.14Å; K410-S413 PolarHBondContact O-OG 3.33Å; S413-A416 PolarHBondContact O-N 3.34Å; S413-R417 WeakPolarHBondContact O-CB 3.49Å; S413-R417 PolarHBondContact O-N 3.41Å |
| 414 | L | 81.4 | Confident | 81.7 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 175.2 | -70 | 169.7 | 0 | 0 | 0 | 110.9 | V331 V334 K410 A411 A416 R417 Y418 | V331-L414 HydrophobicContact CG1-CD2 4.23Å; V331-L414 HydrophobicContact CG2-CD1 3.97Å; V331-L414 HydrophobicContact CG2-CD2 3.86Å; V334-L414 HydrophobicContact CB-CB 4.46Å; V334-L414 HydrophobicContact CG1-CB 3.83Å; K410-L414 HydrophobicContact CG-CD1 4.16Å; K410-L414 VanDerWaalsContact O-CG 3.3Å; K410-L414 WeakPolarHBondContact O-CG 3.4Å; K410-L414 PolarHBondContact O-N 3.36Å; A411-L414 PolarHBondContact O-N 3.38Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.04Å; L414-R417 PolarHBondContact O-N 3.05Å; L414-R417 VanDerWaalsContact O-N 3.12Å; L414-Y418 HydrophobicContact CD2-CD2 4.32Å; L414-Y418 HydrophobicContact CD2-CE2 3.9Å; L414-Y418 VanDerWaalsContact O-CD2 3.31Å; L414-Y418 WeakPolarHBondContact O-CD2 3.39Å; L414-Y418 PolarHBondContact O-N 3.02Å |
| 415 | S | 83 | Confident | 81.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | Q339 L340 P341 Y344 A411 R417 N419 L420 | Q339-S415 PolarHBondContact O-OG 2.94Å; L340-S415 WeakPolarHBondContact CA-OG 2.95Å; P341-S415 WeakPolarHBondContact CD-OG 3.45Å; Y344-S415 VanDerWaalsContact CE2-CB 3.5Å; A411-S415 VanDerWaalsContact O-CB 3.22Å; A411-S415 WeakPolarHBondContact O-CB 3.28Å; A411-S415 PolarHBondContact O-N 2.95Å; S415-R417 VanDerWaalsContact C-N 3.27Å; S415-R417 PolarHBondContact O-N 3.09Å; S415-N419 WeakPolarHBondContact O-CA 3.42Å; S415-N419 VanDerWaalsContact O-CB 3.29Å; S415-N419 WeakPolarHBondContact O-CB 3.36Å; S415-N419 PolarHBondContact O-N 3.4Å; S415-L420 PolarHBondContact O-N 3.42Å |
| 416 | A | 77.4 | Confident | 81.2 | Confident | 10.5 Ų | 10.5 | 46.5 Ų | 46.5 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P341 M412 S413 L414 I466 | P341-A416 HydrophobicContact CG-CB 3.77Å; M412-A416 WeakPolarHBondContact O-CB 3.3Å; M412-A416 PolarHBondContact O-N 3.2Å; S413-A416 PolarHBondContact O-N 3.34Å; L414-A416 VanDerWaalsContact C-N 3.34Å; L414-A416 PolarHBondContact O-N 3.04Å; A416-I466 WeakPolarHBondContact O-CD1 3.38Å |
| 417 | R | 77.5 | Confident | 81.4 | Confident | 161 Ų | 161 | 42.7 Ų | 42.7 | 61% | 0.608 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -81.6 | -36.9 | -179.6 | -175.3 | 174.6 | -175.6 | 173.5 | 1.2 | 113.9 | S413 L414 S415 W497 | S413-R417 WeakPolarHBondContact O-CB 3.49Å; S413-R417 PolarHBondContact O-N 3.41Å; L414-R417 PolarHBondContact O-N 3.05Å; L414-R417 VanDerWaalsContact O-N 3.12Å; S415-R417 VanDerWaalsContact C-N 3.27Å; S415-R417 PolarHBondContact O-N 3.09Å; R417-W497 HydrophobicContact CB-CH2 3.95Å; R417-W497 VanDerWaalsContact CD-CZ3 3.41Å; R417-W497 HydrophobicContact CG-CH2 3.69Å; R417-W497 HydrophobicContact CG-CZ3 3.99Å |
| 418 | Y | 81.8 | Confident | 81.6 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -116.4 | -24.8 | -169 | -62.6 | -70.8 | 0 | 0 | 0 | 114.6 | V331 I335 L414 | V331-Y418 HydrophobicContact CG1-CD2 4.43Å; V331-Y418 HydrophobicContact CG1-CE2 3.96Å; I335-Y418 HydrophobicContact CD1-CD1 4.02Å; I335-Y418 HydrophobicContact CD1-CD2 3.82Å; I335-Y418 HydrophobicContact CD1-CE1 4.46Å; I335-Y418 HydrophobicContact CD1-CE2 4.29Å; I335-Y418 HydrophobicContact CD1-CG 3.68Å; I335-Y418 HydrophobicContact CG1-CD2 3.98Å; I335-Y418 HydrophobicContact CG1-CG 3.85Å; L414-Y418 HydrophobicContact CD2-CD2 4.32Å; L414-Y418 HydrophobicContact CD2-CE2 3.9Å; L414-Y418 VanDerWaalsContact O-CD2 3.31Å; L414-Y418 WeakPolarHBondContact O-CD2 3.39Å; L414-Y418 PolarHBondContact O-N 3.02Å |
| 419 | N | 81.9 | Confident | 81.8 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -101.4 | -6.5 | -177.2 | -62 | -8.5 | 0 | 0 | 0 | 113.2 | V334 I335 Q339 S415 | V334-N419 PolarHBondContact O-ND2 3.3Å; I335-N419 WeakPolarHBondContact CA-OD1 3.36Å; I335-N419 PolarHBondContact O-OD1 3.31Å; Q339-N419 PolarHBondContact N-ND2 3.37Å; Q339-N419 PolarHBondContact O-ND2 3.21Å; S415-N419 WeakPolarHBondContact O-CA 3.42Å; S415-N419 VanDerWaalsContact O-CB 3.29Å; S415-N419 WeakPolarHBondContact O-CB 3.36Å; S415-N419 PolarHBondContact O-N 3.4Å |
| 420 | L | 78.5 | Confident | 82.2 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -108.3 | 137.7 | 170.2 | -73 | 175.9 | 0 | 0 | 0 | 109.6 | L340 P341 S415 I462 I466 F609 | L340-L420 HydrophobicContact CD2-CD2 3.62Å; L340-L420 HydrophobicContact CD2-CG 4.21Å; P341-L420 HydrophobicContact CG-CD1 3.72Å; P341-L420 HydrophobicContact CG-CG 4.36Å; S415-L420 PolarHBondContact O-N 3.42Å; L420-I462 HydrophobicContact CD1-CG2 3.9Å; L420-I466 HydrophobicContact CB-CD1 3.67Å; L420-I466 HydrophobicContact CD1-CD1 3.39Å; L420-I466 VanDerWaalsContact CD1-CD1 3.41Å; L420-I466 HydrophobicContact CG-CD1 4.16Å; L420-F609 HydrophobicContact CD1-CD2 4.42Å; L420-F609 HydrophobicContact CD1-CG 4.38Å; L420-F609 HydrophobicContact CD2-CB 3.79Å; L420-F609 HydrophobicContact CD2-CD2 4.4Å; L420-F609 HydrophobicContact CD2-CG 4.37Å |
| 421 | S | 78.8 | Confident | 82.5 | Confident | 67.5 Ų | 67.5 | 37.4 Ų | 37.4 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | trans | -70.3 | 137.3 | 176.5 | -57 | 0 | 0 | 0 | 0 | 110.7 | I466 S613 | S421-I466 VanDerWaalsContact O-CG2 3.29Å; S421-I466 WeakPolarHBondContact O-CG2 3.45Å; S421-S613 WeakPolarHBondContact CB-OG 3.31Å | ||
| 422 | P | 78.3 | Confident | 82.3 | Confident | 81 Ų | 81 | 37.5 Ų | 37.5 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | trans | -62.7 | 144.3 | 175.3 | 26 | -33.3 | 0 | 0 | 0 | 111.6 | ||||
| 423 | I | 80.4 | Confident | 82 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 101.1 | -179 | -62.5 | 160.3 | 0 | 0 | 0 | 108.1 | C425 V427 I466 C467 E468 L612 | I423-C425 VanDerWaalsContact C-N 3.25Å; I423-C425 VanDerWaalsContact CG2-SG 3.52Å; I423-C425 PolarHBondContact O-N 3.31Å; I423-V427 HydrophobicContact CG2-CG2 3.99Å; I423-I466 HydrophobicContact CB-CG2 4.44Å; I423-I466 HydrophobicContact CD1-CG2 4Å; I423-I466 HydrophobicContact CG1-CG2 3.99Å; I423-I466 PolarHBondContact N-O 3.1Å; I423-C467 HydrophobicContact CB-CB 4.33Å; I423-C467 VanDerWaalsContact CD1-SG 3.52Å; I423-C467 HydrophobicContact CG2-CB 4.47Å; I423-C467 WeakPolarHBondContact O-CA 3.4Å; I423-E468 PolarHBondContact O-N 3.1Å; I423-E468 VanDerWaalsContact O-N 3.07Å; I423-L612 HydrophobicContact CD1-CB 3.65Å; I423-L612 HydrophobicContact CD1-CD1 4.13Å; I423-L612 HydrophobicContact CD1-CG 4.43Å; I423-L612 HydrophobicContact CG1-CB 4.04Å |
| 424 | R | 77.9 | Confident | 81.3 | Confident | 204 Ų | 204 | 36.7 Ų | 36.7 | 77% | 0.77 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 47.5 | -176.4 | -58.7 | -169.6 | 179.8 | 169.7 | -0.5 | 113 | E468 | R424-E468 WeakPolarHBondContact CG-OE1 3.27Å; R424-E468 IonicContact NE-OE1 3.06Å |
| 425 | C | 78.6 | Confident | 80.1 | Confident | 16.5 Ų | 16.5 | 37.7 Ų | 37.7 | 11% | 0.111 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 164.7 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 111 | I423 V427 D550 | I423-C425 VanDerWaalsContact C-N 3.25Å; I423-C425 VanDerWaalsContact CG2-SG 3.52Å; I423-C425 PolarHBondContact O-N 3.31Å; C425-V427 VanDerWaalsContact SG-CG2 3.57Å; C425-D550 HydrophobicContact CB-CB 3.91Å; C425-D550 WeakPolarHBondContact CB-OD2 3.38Å |
| 426 | S | 86.2 | Confident | 78.3 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126 | 174 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | N469 F549 D550 K551 | S426-N469 WeakPolarHBondContact CA-O 3.36Å; S426-F549 WeakPolarHBondContact OG-CA 3.3Å; S426-D550 WeakPolarHBondContact CA-OD2 3.44Å; S426-D550 WeakPolarHBondContact CB-OD2 3.43Å; S426-D550 PolarHBondContact N-OD2 3.05Å; S426-D550 PolarHBondContact O-N 3.35Å; S426-D550 VanDerWaalsContact O-N 3.11Å; S426-D550 VanDerWaalsContact OG-CG 3.26Å; S426-D550 PolarHBondContact OG-N 3.2Å; S426-D550 PolarHBondContact OG-OD2 3.16Å; S426-K551 PolarHBondContact O-N 3.13Å |
| 427 | V | 88.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.2 | -173.2 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | I423 C425 V429 C467 N469 A470 V471 K551 I553 | I423-V427 HydrophobicContact CG2-CG2 3.99Å; C425-V427 VanDerWaalsContact SG-CG2 3.57Å; V427-V429 HydrophobicContact CB-CG2 4.44Å; V427-V429 HydrophobicContact CG1-CG2 3.71Å; V427-C467 HydrophobicContact CG2-CB 4.46Å; V427-N469 PolarHBondContact N-O 3.13Å; V427-A470 CarbonylContact O-C 3.57Å; V427-A470 WeakPolarHBondContact O-CA 3.27Å; V427-V471 PolarHBondContact O-N 3.11Å; V427-K551 WeakPolarHBondContact CA-O 3.25Å; V427-K551 HydrophobicContact CG1-CB 4.4Å; V427-K551 HydrophobicContact CG2-CB 4.34Å; V427-I553 HydrophobicContact CG1-CD1 3.44Å; V427-I553 VanDerWaalsContact CG1-CD1 3.44Å; V427-I553 HydrophobicContact CG1-CG1 4.02Å |
| 428 | L | 90.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.2 | 166.7 | 179.4 | 62.2 | 0 | 0 | 0 | 109.5 | I430 V471 Y473 L539 F542 F549 K551 V552 I553 I562 Y565 | L428-I430 HydrophobicContact CD1-CD1 4.24Å; L428-I430 HydrophobicContact CG-CD1 4.4Å; L428-V471 HydrophobicContact CD1-CB 4.19Å; L428-V471 HydrophobicContact CD1-CG1 4.04Å; L428-Y473 HydrophobicContact CD1-CD2 4.13Å; L428-Y473 HydrophobicContact CD1-CE2 4.25Å; L428-L539 HydrophobicContact CD2-CD2 4.07Å; L428-F542 HydrophobicContact CD1-CE2 3.98Å; L428-F549 HydrophobicContact CB-CD1 3.81Å; L428-F549 HydrophobicContact CB-CD2 4.26Å; L428-F549 HydrophobicContact CB-CE1 3.88Å; L428-F549 HydrophobicContact CB-CE2 4.33Å; L428-F549 HydrophobicContact CB-CG 3.99Å; L428-F549 HydrophobicContact CB-CZ 4.13Å; L428-F549 HydrophobicContact CD1-CE1 4.43Å; L428-F549 HydrophobicContact CD1-CE2 4.49Å; L428-F549 HydrophobicContact CD1-CZ 4.1Å; L428-F549 HydrophobicContact CD2-CD2 4.44Å; L428-F549 HydrophobicContact CD2-CE2 4.3Å; L428-F549 HydrophobicContact CG-CZ 4.46Å; L428-K551 PolarHBondContact N-O 3.4Å; L428-V552 HydrophobicContact CB-CG2 4.21Å; L428-V552 HydrophobicContact CD2-CG2 4.36Å; L428-V552 WeakPolarHBondContact O-CA 3.3Å; L428-I553 PolarHBondContact O-N 3.23Å; L428-I562 HydrophobicContact CD2-CD1 4.09Å; L428-Y565 HydrophobicContact CD2-CD1 4.42Å; L428-Y565 HydrophobicContact CD2-CE1 4.01Å |
| 429 | V | 90 | Very high | 72.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.7 | -176.3 | -177.1 | 0 | 0 | 0 | 0 | 110 | V427 C463 V471 V472 Y473 I553 F555 | V427-V429 HydrophobicContact CB-CG2 4.44Å; V427-V429 HydrophobicContact CG1-CG2 3.71Å; V429-C463 HydrophobicContact CG1-CB 4.45Å; V429-C463 HydrophobicContact CG2-CB 3.98Å; V429-V471 PolarHBondContact N-O 3.31Å; V429-V472 HydrophobicContact CB-CB 4.27Å; V429-V472 HydrophobicContact CB-CG1 4.07Å; V429-V472 HydrophobicContact CB-CG2 3.93Å; V429-V472 HydrophobicContact CG1-CG1 3.99Å; V429-V472 HydrophobicContact CG1-CG2 4.36Å; V429-V472 HydrophobicContact CG2-CG2 4.2Å; V429-V472 WeakPolarHBondContact O-CA 3.36Å; V429-Y473 PolarHBondContact O-N 3.16Å; V429-I553 WeakPolarHBondContact CA-O 3.06Å; V429-I553 HydrophobicContact CB-CG2 4.32Å; V429-I553 HydrophobicContact CG1-CG2 3.88Å; V429-I553 HydrophobicContact CG2-CD1 4.43Å; V429-I553 HydrophobicContact CG2-CG2 4.2Å; V429-F555 HydrophobicContact CG1-CD2 3.88Å; V429-F555 HydrophobicContact CG1-CE2 3.73Å |
| 430 | I | 90.1 | Very high | 70.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.3 | 175 | -55.3 | -113.5 | 0 | 0 | 0 | 109.4 | L428 Y473 V475 L535 I553 V554 F555 I562 | L428-I430 HydrophobicContact CD1-CD1 4.24Å; L428-I430 HydrophobicContact CG-CD1 4.4Å; I430-Y473 CarbonylContact C-O 3.47Å; I430-Y473 WeakPolarHBondContact CA-O 3.42Å; I430-Y473 HydrophobicContact CD1-CD2 4.41Å; I430-V475 HydrophobicContact CG2-CG2 3.98Å; I430-L535 HydrophobicContact CD1-CD1 4.11Å; I430-L535 HydrophobicContact CG2-CD1 4.3Å; I430-I553 PolarHBondContact N-O 3.15Å; I430-V554 HydrophobicContact CB-CG2 4.37Å; I430-V554 CarbonylContact O-C 3.59Å; I430-V554 WeakPolarHBondContact O-CA 3.22Å; I430-F555 PolarHBondContact O-N 3.2Å; I430-I562 HydrophobicContact CD1-CB 4Å; I430-I562 HydrophobicContact CD1-CD1 3.41Å; I430-I562 VanDerWaalsContact CD1-CD1 3.41Å; I430-I562 HydrophobicContact CD1-CG1 3.63Å; I430-I562 HydrophobicContact CG1-CD1 4Å; I430-I562 HydrophobicContact CG1-CG1 4.27Å |
| 431 | C | 87 | Confident | 68.2 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108 | -180 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | L433 S456 G460 Y473 F474 V475 | C431-L433 PolarHBondContact O-N 2.9Å; C431-S456 WeakPolarHBondContact CA-OG 3.48Å; C431-S456 WeakPolarHBondContact CB-OG 3.43Å; C431-S456 PolarHBondContact SG-O 3.19Å; C431-G460 WeakPolarHBondContact SG-CA 3.34Å; C431-Y473 PolarHBondContact N-O 2.84Å; C431-F474 HydrophobicContact CB-CD1 3.31Å; C431-F474 HydrophobicContact CB-CD2 4.5Å; C431-F474 HydrophobicContact CB-CE1 3.4Å; C431-F474 HydrophobicContact CB-CE2 4.45Å; C431-F474 HydrophobicContact CB-CG 4.2Å; C431-F474 HydrophobicContact CB-CZ 3.85Å; C431-F474 CarbonylContact O-C 3.59Å; C431-F474 VanDerWaalsContact O-CA 3.31Å; C431-F474 WeakPolarHBondContact O-CA 3.42Å; C431-V475 PolarHBondContact O-N 3.03Å |
| 432 | S | 82.4 | Confident | 65.9 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | trans | -88.5 | 141.9 | -176.9 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | S456 F555 D557 | S432-S456 PolarHBondContact N-OG 3.46Å; S432-S456 PolarHBondContact O-OG 2.93Å; S432-F555 WeakPolarHBondContact CA-O 3.15Å; S432-F555 WeakPolarHBondContact CB-O 2.94Å; S432-F555 PolarHBondContact N-O 3.25Å; S432-D557 WeakPolarHBondContact CB-O 3.31Å; S432-D557 PolarHBondContact OG-O 3.15Å | ||
| 433 | L | 74.6 | Confident | 63.8 | Low | 17.5 Ų | 17.5 | 64.5 Ų | 64.5 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | trans | -100.4 | 96 | 172 | -61.9 | 169.1 | 0 | 0 | 0 | 108.9 | C431 S435 N453 F457 F474 V475 Y524 W530 | C431-L433 PolarHBondContact O-N 2.9Å; L433-S435 PolarHBondContact O-N 3.07Å; L433-S435 VanDerWaalsContact O-N 3.15Å; L433-N453 HydrophobicContact CD2-CB 4.15Å; L433-N453 WeakPolarHBondContact CD2-O 3.35Å; L433-F457 HydrophobicContact CD2-CB 4.28Å; L433-F457 HydrophobicContact CD2-CE2 4.3Å; L433-F474 HydrophobicContact CD1-CB 4.03Å; L433-F474 HydrophobicContact CD1-CD1 3.58Å; L433-F474 HydrophobicContact CD1-CE1 4.44Å; L433-F474 HydrophobicContact CD1-CG 4.19Å; L433-F474 HydrophobicContact CD2-CD1 4.27Å; L433-F474 HydrophobicContact CG-CD1 3.8Å; L433-V475 CarbonylContact C-O 3.58Å; L433-V475 VanDerWaalsContact CA-O 3.32Å; L433-V475 WeakPolarHBondContact CA-O 3.22Å; L433-V475 VanDerWaalsContact CB-O 3.24Å; L433-V475 WeakPolarHBondContact CB-O 3.26Å; L433-V475 PolarHBondContact N-O 2.88Å; L433-Y524 HydrophobicContact CD2-CE2 3.98Å; L433-W530 HydrophobicContact CD1-CZ3 4.37Å | ||
| 434 | C | 63.1 | Low | 61.6 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | trans | -68.1 | 119.8 | -177.1 | -114.3 | 0 | 0 | 0 | 0 | 110.7 | G436 K449 I452 N453 D587 | C434-G436 PolarHBondContact O-N 3.41Å; C434-K449 VanDerWaalsContact CB-CE 3.49Å; C434-K449 WeakPolarHBondContact O-CE 3.28Å; C434-K449 PolarHBondContact SG-NZ 3.23Å; C434-I452 HydrophobicContact CB-CG2 4.25Å; C434-N453 PolarHBondContact N-OD1 2.91Å; C434-N453 PolarHBondContact O-ND2 3.41Å; C434-D587 WeakPolarHBondContact CB-OD1 3.36Å; C434-D587 VanDerWaalsContact SG-CG 3.59Å; C434-D587 PolarHBondContact SG-OD1 2.69Å; C434-D587 PolarHBondContact SG-OD2 2.61Å; C434-D587 VanDerWaalsContact SG-OD2 3.37Å | ||
| 435 | S | 54.9 | Low | 60.1 | Low | 42.5 Ų | 42.5 | 68.7 Ų | 68.7 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | trans | -72.3 | -3.9 | -168.3 | 65.7 | 0 | 0 | 0 | 0 | 116.6 | L433 F437 N478 D557 K588 | L433-S435 PolarHBondContact O-N 3.07Å; L433-S435 VanDerWaalsContact O-N 3.15Å; S435-F437 PolarHBondContact O-N 3.39Å; S435-N478 PolarHBondContact OG-OD1 3.37Å; S435-D557 WeakPolarHBondContact CB-OD2 3.39Å; S435-D557 PolarHBondContact N-OD1 3.37Å; S435-D557 PolarHBondContact N-OD2 3.39Å; S435-D557 PolarHBondContact OG-OD2 3.46Å; S435-K588 WeakPolarHBondContact OG-CD 3.42Å; S435-K588 WeakPolarHBondContact OG-CE 3.1Å; S435-K588 WeakPolarHBondContact OG-CG 3.35Å | ||
| 436 | G | 45.7 | Very low | 58.7 | Low | 23 Ų | 23 | 72 Ų | 72 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | trans | -63.1 | 13.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | C434 E438 N586 | C434-G436 PolarHBondContact O-N 3.41Å; G436-E438 PolarHBondContact O-N 3.14Å; G436-N586 VanDerWaalsContact CA-O 3.24Å; G436-N586 WeakPolarHBondContact CA-O 3.24Å | ||
| 437 | F | 44.7 | Very low | 57.2 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | trans | -91.9 | 37.8 | 178.3 | -105.7 | -80.9 | 0 | 0 | 0 | 113.5 | S435 L439 V448 K449 A450 I452 V454 Y524 | S435-F437 PolarHBondContact O-N 3.39Å; F437-L439 HydrophobicContact CD1-CD1 3.85Å; F437-L439 HydrophobicContact CD1-CG 4.28Å; F437-L439 HydrophobicContact CE1-CD1 3.81Å; F437-L439 PolarHBondContact O-N 3.35Å; F437-V448 HydrophobicContact CE1-CG1 4.18Å; F437-V448 HydrophobicContact CZ-CG1 3.91Å; F437-K449 HydrophobicContact CB-CB 4.4Å; F437-K449 HydrophobicContact CB-CD 3.87Å; F437-K449 HydrophobicContact CB-CG 4.19Å; F437-A450 HydrophobicContact CE2-CB 4.21Å; F437-A450 HydrophobicContact CZ-CB 4.37Å; F437-I452 HydrophobicContact CD2-CD1 4.37Å; F437-I452 HydrophobicContact CE2-CD1 3.35Å; F437-I452 HydrophobicContact CZ-CD1 3.74Å; F437-V454 HydrophobicContact CZ-CG2 4.44Å; F437-Y524 HydrophobicContact CB-CD1 4.25Å; F437-Y524 HydrophobicContact CB-CE1 3.26Å; F437-Y524 VanDerWaalsContact CB-CZ 3.49Å; F437-Y524 WeakPolarHBondContact CB-OH 3.3Å; F437-Y524 HydrophobicContact CD1-CD1 4.1Å; F437-Y524 AromaticContact CD1-CE1 3.94Å; F437-Y524 HydrophobicContact CD1-CE1 3.94Å; F437-Y524 HydrophobicContact CD2-CD1 4.4Å; F437-Y524 AromaticContact CD2-CE1 3.95Å; F437-Y524 HydrophobicContact CD2-CE1 3.95Å; F437-Y524 HydrophobicContact CD2-CE2 4.24Å; F437-Y524 AromaticContact CD2-CZ 3.88Å; F437-Y524 HydrophobicContact CG-CD1 4.03Å; F437-Y524 AromaticContact CG-CE1 3.48Å; F437-Y524 HydrophobicContact CG-CE1 3.48Å; F437-Y524 VanDerWaalsContact CG-CE1 3.48Å; F437-Y524 AromaticContact CG-CZ 3.81Å | ||
| 438 | E | 37.9 | Very low | 55.7 | Low | 164 Ų | 164 | 79.5 Ų | 79.5 | 77% | 0.766 | 38% | 0.379 | S | S | * | . | trans | -80.3 | 74.8 | 159.1 | -73.5 | -167.6 | 159.7 | 0 | 0 | 109.5 | G436 Q440 | G436-E438 PolarHBondContact O-N 3.14Å; E438-Q440 PolarHBondContact O-N 3.22Å | ||
| 439 | L | 36.6 | Very low | 54.2 | Low | 110.5 Ų | 110.5 | 82.6 Ų | 82.6 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 48.7 | 177.7 | -93.5 | 165.2 | 0 | 0 | 0 | 112.7 | F437 K441 | F437-L439 HydrophobicContact CD1-CD1 3.85Å; F437-L439 HydrophobicContact CD1-CG 4.28Å; F437-L439 HydrophobicContact CE1-CD1 3.81Å; F437-L439 PolarHBondContact O-N 3.35Å; L439-K441 PolarHBondContact O-N 3.15Å |
| 440 | Q | 33.2 | Very low | 52.9 | Low | 176 Ų | 176 | 84.1 Ų | 84.1 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 61.5 | 168.3 | -63.3 | -166.2 | 5 | 0 | 0 | 112.2 | E438 I442 | E438-Q440 PolarHBondContact O-N 3.22Å; Q440-I442 PolarHBondContact O-N 2.86Å |
| 441 | K | 32.2 | Very low | 51.7 | Low | 183 Ų | 183 | 86.2 Ų | 86.2 | 80% | 0.796 | 42% | 0.416 | S | S | * | . | trans | 154.2 | 46.9 | 172.9 | -64.1 | 178.1 | -179 | 172 | 0 | 116.8 | L439 R443 T446 | L439-K441 PolarHBondContact O-N 3.15Å; K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 2.84Å; K441-T446 PolarHBondContact O-OG1 3.23Å | ||
| 442 | I | 31.4 | Very low | 50.9 | Low | 118 Ų | 118 | 86.5 Ų | 86.5 | 61% | 0.605 | 42% | 0.417 | S | S | * | . | trans | -92.8 | 94.5 | -179.1 | -53.6 | 174.8 | 0 | 0 | 0 | 112.3 | Q440 R444 | Q440-I442 PolarHBondContact O-N 2.86Å; I442-R444 HydrophobicContact CG2-CB 4.12Å; I442-R444 HydrophobicContact CG2-CG 4.21Å; I442-R444 PolarHBondContact O-N 3.48Å | ||
| 443 | R | 33 | Very low | 50.4 | Low | 212.5 Ų | 212.5 | 86.7 Ų | 86.7 | 80% | 0.802 | 42% | 0.418 | S | S | * | . | trans | -75.7 | 85.8 | 167.4 | -88.3 | 179.8 | 170.2 | 163 | -2.4 | 112.5 | K441 S445 T446 | K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 2.84Å; R443-S445 PolarHBondContact O-N 2.97Å; R443-T446 HydrophobicContact CB-CG2 4.28Å; R443-T446 PolarHBondContact O-N 2.98Å; R443-T446 PolarHBondContact O-OG1 3.1Å | ||
| 444 | R | 35.5 | Very low | 50.3 | Low | 221.5 Ų | 221.5 | 86.6 Ų | 86.6 | 84% | 0.836 | 42% | 0.418 | S | S | * | . | trans | -83.7 | 14.7 | -175.3 | -72.6 | -174.1 | 177.8 | 169.1 | 1.7 | 114.5 | I442 | I442-R444 HydrophobicContact CG2-CB 4.12Å; I442-R444 HydrophobicContact CG2-CG 4.21Å; I442-R444 PolarHBondContact O-N 3.48Å | ||
| 445 | S | 46.4 | Very low | 51 | Low | 73.5 Ų | 73.5 | 86.1 Ų | 86.1 | 51% | 0.514 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -1.5 | 48.5 | 162.9 | 63.4 | 0 | 0 | 0 | 0 | 116.9 | R443 R447 V448 K449 | R443-S445 PolarHBondContact O-N 2.97Å; S445-R447 PolarHBondContact O-N 3.11Å; S445-V448 PolarHBondContact O-N 2.96Å; S445-K449 PolarHBondContact O-N 3.5Å; S445-K449 VanDerWaalsContact O-N 3.12Å |
| 446 | T | 49.5 | Very low | 52.2 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.1 | -30 | 173.2 | 52 | 0 | 0 | 0 | 0 | 113.7 | K441 R443 V448 K449 A450 | K441-T446 PolarHBondContact O-OG1 3.23Å; R443-T446 HydrophobicContact CB-CG2 4.28Å; R443-T446 PolarHBondContact O-N 2.98Å; R443-T446 PolarHBondContact O-OG1 3.1Å; T446-V448 VanDerWaalsContact C-N 3.31Å; T446-V448 PolarHBondContact O-N 3.27Å; T446-K449 PolarHBondContact O-N 2.88Å; T446-A450 WeakPolarHBondContact O-CB 3.35Å; T446-A450 PolarHBondContact O-N 2.8Å; T446-A450 VanDerWaalsContact O-N 3.1Å |
| 447 | R | 53.4 | Low | 53.7 | Low | 137.5 Ų | 137.5 | 83.2 Ų | 83.2 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.7 | -69.1 | -174.2 | 178 | -172.5 | -3 | 113.2 | S445 A450 I451 | S445-R447 PolarHBondContact O-N 3.11Å; R447-A450 PolarHBondContact O-N 3.22Å; R447-I451 WeakPolarHBondContact O-CD1 3.4Å; R447-I451 VanDerWaalsContact O-CG1 3.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.34Å; R447-I451 PolarHBondContact O-N 2.85Å |
| 448 | V | 56.5 | Low | 55.3 | Low | 42.5 Ų | 42.5 | 81.4 Ų | 81.4 | 26% | 0.258 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 110 | L4 F437 S445 T446 A450 I451 I452 | L4-V448 HydrophobicContact CD1-CG2 3.67Å; L4-V448 HydrophobicContact CD2-CG2 4.42Å; L4-V448 HydrophobicContact CG-CG2 4.14Å; F437-V448 HydrophobicContact CE1-CG1 4.18Å; F437-V448 HydrophobicContact CZ-CG1 3.91Å; S445-V448 PolarHBondContact O-N 2.96Å; T446-V448 VanDerWaalsContact C-N 3.31Å; T446-V448 PolarHBondContact O-N 3.27Å; V448-A450 VanDerWaalsContact C-N 3.3Å; V448-A450 PolarHBondContact O-N 3.18Å; V448-I451 PolarHBondContact O-N 2.85Å; V448-I451 VanDerWaalsContact O-N 3.08Å; V448-I452 HydrophobicContact CG1-CD1 3.81Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.46Å; V448-I452 PolarHBondContact O-N 3.45Å |
| 449 | K | 60.3 | Low | 57.4 | Low | 64 Ų | 64 | 73.7 Ų | 73.7 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 174.7 | -166.9 | 167.4 | -173.5 | 165.9 | 0 | 111.9 | C434 F437 S445 T446 I451 I452 N453 | C434-K449 VanDerWaalsContact CB-CE 3.49Å; C434-K449 WeakPolarHBondContact O-CE 3.28Å; C434-K449 PolarHBondContact SG-NZ 3.23Å; F437-K449 HydrophobicContact CB-CB 4.4Å; F437-K449 HydrophobicContact CB-CD 3.87Å; F437-K449 HydrophobicContact CB-CG 4.19Å; S445-K449 PolarHBondContact O-N 3.5Å; S445-K449 VanDerWaalsContact O-N 3.12Å; T446-K449 PolarHBondContact O-N 2.88Å; K449-I451 PolarHBondContact O-N 3.01Å; K449-I452 PolarHBondContact O-N 3.47Å; K449-N453 WeakPolarHBondContact O-CB 3.5Å; K449-N453 VanDerWaalsContact O-CG 3.28Å; K449-N453 PolarHBondContact O-N 3.37Å; K449-N453 VanDerWaalsContact O-N 3.08Å; K449-N453 PolarHBondContact O-ND2 3.05Å; K449-N453 PolarHBondContact O-OD1 2.91Å |
| 450 | A | 62.4 | Low | 59.5 | Low | 33 Ų | 33 | 68.5 Ų | 68.5 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F437 T446 R447 V448 I452 N453 V454 | F437-A450 HydrophobicContact CE2-CB 4.21Å; F437-A450 HydrophobicContact CZ-CB 4.37Å; T446-A450 WeakPolarHBondContact O-CB 3.35Å; T446-A450 PolarHBondContact O-N 2.8Å; T446-A450 VanDerWaalsContact O-N 3.1Å; R447-A450 PolarHBondContact O-N 3.22Å; V448-A450 VanDerWaalsContact C-N 3.3Å; V448-A450 PolarHBondContact O-N 3.18Å; A450-I452 VanDerWaalsContact C-N 3.33Å; A450-N453 PolarHBondContact O-N 3.49Å; A450-V454 WeakPolarHBondContact O-CB 3.45Å; A450-V454 VanDerWaalsContact O-CG2 3.29Å; A450-V454 WeakPolarHBondContact O-CG2 3.27Å; A450-V454 PolarHBondContact O-N 2.91Å; A450-V454 VanDerWaalsContact O-N 3.09Å |
| 451 | I | 66 | Low | 61.6 | Low | 43.5 Ų | 43.5 | 60.7 Ų | 60.7 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.7 | -71.4 | 163.8 | 0 | 0 | 0 | 110.4 | V3 L7 R447 V448 K449 V454 L455 | V3-I451 HydrophobicContact CG1-CG2 4.11Å; L7-I451 HydrophobicContact CD1-CD1 4.34Å; L7-I451 HydrophobicContact CD1-CG2 4.41Å; R447-I451 WeakPolarHBondContact O-CD1 3.4Å; R447-I451 VanDerWaalsContact O-CG1 3.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.34Å; R447-I451 PolarHBondContact O-N 2.85Å; V448-I451 PolarHBondContact O-N 2.85Å; V448-I451 VanDerWaalsContact O-N 3.08Å; K449-I451 PolarHBondContact O-N 3.01Å; I451-V454 PolarHBondContact O-N 2.89Å; I451-V454 VanDerWaalsContact O-N 3.16Å; I451-L455 HydrophobicContact CG2-CD1 3.71Å; I451-L455 HydrophobicContact CG2-CG 4.23Å; I451-L455 WeakPolarHBondContact O-CB 3.38Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.26Å |
| 452 | I | 69.4 | Low | 63.8 | Low | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | -178.9 | -68 | 166.9 | 0 | 0 | 0 | 111.3 | C434 F437 V448 K449 A450 V454 L455 S456 L583 W589 | C434-I452 HydrophobicContact CB-CG2 4.25Å; F437-I452 HydrophobicContact CD2-CD1 4.37Å; F437-I452 HydrophobicContact CE2-CD1 3.35Å; F437-I452 HydrophobicContact CZ-CD1 3.74Å; V448-I452 HydrophobicContact CG1-CD1 3.81Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.46Å; V448-I452 PolarHBondContact O-N 3.45Å; K449-I452 PolarHBondContact O-N 3.47Å; A450-I452 VanDerWaalsContact C-N 3.33Å; I452-V454 VanDerWaalsContact C-N 3.32Å; I452-V454 PolarHBondContact O-N 3.24Å; I452-L455 WeakPolarHBondContact O-CA 3.37Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.43Å; I452-L455 PolarHBondContact O-N 3.1Å; I452-S456 WeakPolarHBondContact O-CB 3.41Å; I452-S456 PolarHBondContact O-N 2.67Å; I452-S456 VanDerWaalsContact O-N 3.17Å; I452-L583 HydrophobicContact CG2-CB 3.99Å; I452-L583 HydrophobicContact CG2-CD1 4.4Å; I452-W589 HydrophobicContact CD1-CH2 4.42Å; I452-W589 HydrophobicContact CD1-CZ3 3.75Å |
| 453 | N | 72.8 | Confident | 66.2 | Low | 7.5 Ų | 7.5 | 46.9 Ų | 46.9 | 4% | 0.04 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -34.5 | 175.2 | -71.2 | -10 | 0 | 0 | 0 | 112.8 | L433 C434 K449 A450 L455 S456 F457 Y524 | L433-N453 HydrophobicContact CD2-CB 4.15Å; L433-N453 WeakPolarHBondContact CD2-O 3.35Å; C434-N453 PolarHBondContact N-OD1 2.91Å; C434-N453 PolarHBondContact O-ND2 3.41Å; K449-N453 WeakPolarHBondContact O-CB 3.5Å; K449-N453 VanDerWaalsContact O-CG 3.28Å; K449-N453 PolarHBondContact O-N 3.37Å; K449-N453 VanDerWaalsContact O-N 3.08Å; K449-N453 PolarHBondContact O-ND2 3.05Å; K449-N453 PolarHBondContact O-OD1 2.91Å; A450-N453 PolarHBondContact O-N 3.49Å; N453-L455 VanDerWaalsContact C-N 3.33Å; N453-S456 PolarHBondContact O-N 2.86Å; N453-S456 PolarHBondContact O-OG 2.91Å; N453-F457 WeakPolarHBondContact O-CB 3.4Å; N453-F457 WeakPolarHBondContact O-CD2 3.43Å; N453-F457 PolarHBondContact O-N 3.12Å; N453-Y524 HydrophobicContact CB-CE2 3.72Å; N453-Y524 WeakPolarHBondContact CB-OH 3.46Å |
| 454 | V | 72.4 | Confident | 68.4 | Low | 15.5 Ų | 15.5 | 38.8 Ų | 38.8 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | 173.1 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | F437 A450 I451 I452 F457 I458 M517 I520 Y524 | F437-V454 HydrophobicContact CZ-CG2 4.44Å; A450-V454 WeakPolarHBondContact O-CB 3.45Å; A450-V454 VanDerWaalsContact O-CG2 3.29Å; A450-V454 WeakPolarHBondContact O-CG2 3.27Å; A450-V454 PolarHBondContact O-N 2.91Å; A450-V454 VanDerWaalsContact O-N 3.09Å; I451-V454 PolarHBondContact O-N 2.89Å; I451-V454 VanDerWaalsContact O-N 3.16Å; I452-V454 VanDerWaalsContact C-N 3.32Å; I452-V454 PolarHBondContact O-N 3.24Å; V454-F457 WeakPolarHBondContact O-CB 3.32Å; V454-F457 PolarHBondContact O-N 3.3Å; V454-I458 HydrophobicContact CG1-CD1 3.99Å; V454-I458 HydrophobicContact CG1-CG1 4.39Å; V454-I458 VanDerWaalsContact O-CG1 3.31Å; V454-I458 WeakPolarHBondContact O-CG1 3.35Å; V454-I458 PolarHBondContact O-N 2.95Å; V454-M517 HydrophobicContact CB-SD 4.49Å; V454-M517 HydrophobicContact CG1-CE 4.35Å; V454-M517 HydrophobicContact CG1-SD 3.73Å; V454-M517 HydrophobicContact CG2-CE 3.88Å; V454-M517 HydrophobicContact CG2-SD 4.01Å; V454-I520 HydrophobicContact CG1-CD1 3.96Å; V454-I520 HydrophobicContact CG1-CG2 4.41Å; V454-I520 HydrophobicContact CG2-CG2 4.25Å; V454-Y524 HydrophobicContact CG2-CD1 3.67Å; V454-Y524 HydrophobicContact CG2-CD2 4.31Å; V454-Y524 HydrophobicContact CG2-CE1 4.15Å; V454-Y524 HydrophobicContact CG2-CG 3.76Å |
| 455 | L | 76.3 | Confident | 70.3 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 178.4 | -114.8 | 154.5 | 0 | 0 | 0 | 112.1 | V3 L345 I451 I452 N453 F457 I458 Y459 L583 L604 | V3-L455 HydrophobicContact CG1-CD1 4.33Å; L345-L455 HydrophobicContact CD2-CD2 3.32Å; L345-L455 HydrophobicContact CG-CD2 4.34Å; I451-L455 HydrophobicContact CG2-CD1 3.71Å; I451-L455 HydrophobicContact CG2-CG 4.23Å; I451-L455 WeakPolarHBondContact O-CB 3.38Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.26Å; I452-L455 WeakPolarHBondContact O-CA 3.37Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.43Å; I452-L455 PolarHBondContact O-N 3.1Å; N453-L455 VanDerWaalsContact C-N 3.33Å; L455-F457 PolarHBondContact O-N 2.95Å; L455-I458 PolarHBondContact O-N 3.21Å; L455-I458 VanDerWaalsContact O-N 3.15Å; L455-Y459 HydrophobicContact CD2-CD1 3.9Å; L455-Y459 HydrophobicContact CD2-CD2 4.11Å; L455-Y459 HydrophobicContact CD2-CE1 3.62Å; L455-Y459 HydrophobicContact CD2-CE2 4.07Å; L455-Y459 HydrophobicContact CD2-CG 4.17Å; L455-Y459 HydrophobicContact CG-CD1 4.49Å; L455-Y459 HydrophobicContact CG-CE1 4.29Å; L455-Y459 WeakPolarHBondContact O-CB 3.38Å; L455-Y459 WeakPolarHBondContact O-CD2 3.48Å; L455-Y459 PolarHBondContact O-N 3.2Å; L455-L583 HydrophobicContact CB-CD1 3.96Å; L455-L583 HydrophobicContact CD2-CD1 4.5Å; L455-L583 HydrophobicContact CD2-CD2 4.06Å; L455-L604 HydrophobicContact CD1-CD1 3.95Å; L455-L604 HydrophobicContact CD1-CD2 3.73Å; L455-L604 HydrophobicContact CD1-CG 4.16Å; L455-L604 HydrophobicContact CD2-CD2 3.69Å; L455-L604 HydrophobicContact CG-CD2 4.26Å |
| 456 | S | 80.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.4 | -40.7 | 171.8 | 121.4 | 0 | 0 | 0 | 0 | 111.1 | C431 S432 I452 N453 Y459 G460 F555 | C431-S456 WeakPolarHBondContact CA-OG 3.48Å; C431-S456 WeakPolarHBondContact CB-OG 3.43Å; C431-S456 PolarHBondContact SG-O 3.19Å; S432-S456 PolarHBondContact N-OG 3.46Å; S432-S456 PolarHBondContact O-OG 2.93Å; I452-S456 WeakPolarHBondContact O-CB 3.41Å; I452-S456 PolarHBondContact O-N 2.67Å; I452-S456 VanDerWaalsContact O-N 3.17Å; N453-S456 PolarHBondContact O-N 2.86Å; N453-S456 PolarHBondContact O-OG 2.91Å; S456-Y459 PolarHBondContact O-N 2.86Å; S456-G460 PolarHBondContact O-N 3.32Å; S456-F555 PolarHBondContact OG-O 3.17Å |
| 457 | F | 78.6 | Confident | 73.2 | Confident | 4.5 Ų | 4.5 | 25.1 Ų | 25.1 | 2% | 0.02 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.9 | -123.1 | -99.6 | 0 | 0 | 0 | 113.4 | L433 N453 V454 L455 Y459 G460 A461 F474 M488 L492 I520 I523 Y524 | L433-F457 HydrophobicContact CD2-CB 4.28Å; L433-F457 HydrophobicContact CD2-CE2 4.3Å; N453-F457 WeakPolarHBondContact O-CB 3.4Å; N453-F457 WeakPolarHBondContact O-CD2 3.43Å; N453-F457 PolarHBondContact O-N 3.12Å; V454-F457 WeakPolarHBondContact O-CB 3.32Å; V454-F457 PolarHBondContact O-N 3.3Å; L455-F457 PolarHBondContact O-N 2.95Å; F457-Y459 VanDerWaalsContact C-N 3.31Å; F457-Y459 PolarHBondContact O-N 3.28Å; F457-G460 PolarHBondContact O-N 3.04Å; F457-A461 VanDerWaalsContact O-CB 3.26Å; F457-A461 WeakPolarHBondContact O-CB 3.41Å; F457-A461 PolarHBondContact O-N 2.91Å; F457-A461 VanDerWaalsContact O-N 3.13Å; F457-F474 HydrophobicContact CB-CD1 4.48Å; F457-F474 HydrophobicContact CB-CE1 4.14Å; F457-F474 AromaticContact CD1-CD1 3.53Å; F457-F474 HydrophobicContact CD1-CD1 3.53Å; F457-F474 HydrophobicContact CD1-CD2 4.42Å; F457-F474 AromaticContact CD1-CE1 3.84Å; F457-F474 HydrophobicContact CD1-CE1 3.84Å; F457-F474 AromaticContact CD1-CG 3.9Å; F457-F474 HydrophobicContact CD1-CG 3.9Å; F457-F474 HydrophobicContact CD1-CZ 4.32Å; F457-F474 HydrophobicContact CD2-CD1 4.11Å; F457-F474 AromaticContact CD2-CE1 3.39Å; F457-F474 HydrophobicContact CD2-CE1 3.39Å; F457-F474 AromaticContact CD2-CZ 3.69Å; F457-F474 HydrophobicContact CD2-CZ 3.69Å; F457-F474 HydrophobicContact CE1-CB 3.8Å; F457-F474 AromaticContact CE1-CD1 3.64Å; F457-F474 HydrophobicContact CE1-CD1 3.64Å; F457-F474 HydrophobicContact CE1-CD2 4.32Å; F457-F474 HydrophobicContact CE1-CE1 4.4Å; F457-F474 AromaticContact CE1-CG 3.64Å; F457-F474 HydrophobicContact CE1-CG 3.64Å; F457-F474 HydrophobicContact CE2-CD1 4.23Å; F457-F474 HydrophobicContact CE2-CE1 4.05Å; F457-F474 AromaticContact CE2-CZ 3.97Å; F457-F474 HydrophobicContact CE2-CZ 3.97Å; F457-F474 AromaticContact CG-CD1 3.79Å; F457-F474 HydrophobicContact CG-CD1 3.79Å; F457-F474 AromaticContact CG-CE1 3.94Å; F457-F474 HydrophobicContact CG-CE1 3.99Å; F457-F474 HydrophobicContact CG-CZ 4.31Å; F457-F474 HydrophobicContact CZ-CB 3.91Å; F457-F474 HydrophobicContact CZ-CD1 4Å; F457-F474 HydrophobicContact CZ-CG 4.14Å; F457-M488 HydrophobicContact CE2-SD 4.47Å; F457-L492 HydrophobicContact CE1-CD1 3.51Å; F457-L492 HydrophobicContact CZ-CD1 4.08Å; F457-I520 HydrophobicContact CB-CG2 3.96Å; F457-I520 HydrophobicContact CD1-CD1 4.34Å; F457-I520 HydrophobicContact CD1-CG1 4.21Å; F457-I520 HydrophobicContact CE1-CG1 4.36Å; F457-I523 HydrophobicContact CD1-CG2 3.97Å; F457-I523 HydrophobicContact CE1-CG2 4.02Å; F457-I523 HydrophobicContact CE2-CG2 4.43Å; F457-I523 HydrophobicContact CZ-CD1 4.35Å; F457-I523 HydrophobicContact CZ-CG2 4.35Å; F457-Y524 HydrophobicContact CD2-CD2 4.1Å; F457-Y524 HydrophobicContact CE1-CD2 4.5Å; F457-Y524 AromaticContact CE2-CD2 3.9Å; F457-Y524 HydrophobicContact CE2-CD2 3.9Å; F457-Y524 HydrophobicContact CE2-CE2 4.34Å; F457-Y524 HydrophobicContact CG-CD2 4.48Å; F457-Y524 HydrophobicContact CZ-CD2 4.11Å |
| 458 | I | 77.3 | Confident | 74.4 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 176 | -66.3 | 165.9 | 0 | 0 | 0 | 110.8 | L345 M412 V454 L455 G460 A461 I462 L516 M517 I520 | L345-I458 HydrophobicContact CD1-CD1 3.72Å; L345-I458 HydrophobicContact CD2-CD1 3.99Å; L345-I458 HydrophobicContact CD2-CG2 4.39Å; M412-I458 HydrophobicContact SD-CG2 4.41Å; V454-I458 HydrophobicContact CG1-CD1 3.99Å; V454-I458 HydrophobicContact CG1-CG1 4.39Å; V454-I458 VanDerWaalsContact O-CG1 3.31Å; V454-I458 WeakPolarHBondContact O-CG1 3.35Å; V454-I458 PolarHBondContact O-N 2.95Å; L455-I458 PolarHBondContact O-N 3.21Å; L455-I458 VanDerWaalsContact O-N 3.15Å; I458-G460 PolarHBondContact O-N 3.44Å; I458-A461 WeakPolarHBondContact O-CB 3.37Å; I458-A461 PolarHBondContact O-N 3.11Å; I458-A461 VanDerWaalsContact O-N 3.14Å; I458-I462 HydrophobicContact CG2-CD1 3.74Å; I458-I462 HydrophobicContact CG2-CG1 4.32Å; I458-I462 VanDerWaalsContact O-CG1 3.24Å; I458-I462 WeakPolarHBondContact O-CG1 3.47Å; I458-I462 PolarHBondContact O-N 3.03Å; I458-L516 HydrophobicContact CD1-CD2 4.09Å; I458-M517 HydrophobicContact CD1-CE 3.82Å; I458-M517 HydrophobicContact CD1-SD 3.71Å; I458-M517 HydrophobicContact CG1-CE 4.49Å; I458-M517 HydrophobicContact CG1-SD 4.1Å; I458-I520 HydrophobicContact CD1-CD1 4.03Å; I458-I520 HydrophobicContact CG1-CD1 3.99Å; I458-I520 HydrophobicContact CG1-CG2 4.05Å |
| 459 | Y | 81.7 | Confident | 75.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | -179 | -81.9 | -54 | 0 | 0 | 0 | 111.5 | L455 S456 F457 A461 I462 C463 F555 L583 L604 D606 F609 | L455-Y459 HydrophobicContact CD2-CD1 3.9Å; L455-Y459 HydrophobicContact CD2-CD2 4.11Å; L455-Y459 HydrophobicContact CD2-CE1 3.62Å; L455-Y459 HydrophobicContact CD2-CE2 4.07Å; L455-Y459 HydrophobicContact CD2-CG 4.17Å; L455-Y459 HydrophobicContact CG-CD1 4.49Å; L455-Y459 HydrophobicContact CG-CE1 4.29Å; L455-Y459 WeakPolarHBondContact O-CB 3.38Å; L455-Y459 WeakPolarHBondContact O-CD2 3.48Å; L455-Y459 PolarHBondContact O-N 3.2Å; S456-Y459 PolarHBondContact O-N 2.86Å; F457-Y459 VanDerWaalsContact C-N 3.31Å; F457-Y459 PolarHBondContact O-N 3.28Å; Y459-A461 PolarHBondContact O-N 3.07Å; Y459-I462 HydrophobicContact CD1-CD1 4.4Å; Y459-I462 PolarHBondContact O-N 3.2Å; Y459-C463 PolarHBondContact O-N 3.43Å; Y459-C463 PolarHBondContact O-SG 2.88Å; Y459-F555 AromaticContact CD1-CD1 3.83Å; Y459-F555 HydrophobicContact CD1-CD1 3.83Å; Y459-F555 AromaticContact CD1-CE1 3.54Å; Y459-F555 HydrophobicContact CD1-CE1 3.54Å; Y459-F555 HydrophobicContact CD1-CZ 4.19Å; Y459-F555 AromaticContact CD2-CD1 3.84Å; Y459-F555 HydrophobicContact CD2-CD1 3.84Å; Y459-F555 AromaticContact CD2-CE1 3.65Å; Y459-F555 HydrophobicContact CD2-CE1 3.65Å; Y459-F555 HydrophobicContact CD2-CZ 4.28Å; Y459-F555 HydrophobicContact CG-CD1 4.2Å; Y459-F555 HydrophobicContact CG-CE1 4.25Å; Y459-L583 HydrophobicContact CD2-CD2 4.02Å; Y459-L583 HydrophobicContact CE2-CD2 3.91Å; Y459-L604 HydrophobicContact CE2-CD2 4.22Å; Y459-D606 PolarHBondContact OH-OD1 3.36Å; Y459-F609 AromaticContact CD1-CE2 3.61Å; Y459-F609 HydrophobicContact CD1-CE2 3.92Å; Y459-F609 AromaticContact CD1-CZ 3.69Å; Y459-F609 HydrophobicContact CD1-CZ 3.69Å; Y459-F609 VanDerWaalsContact CD1-CZ 3.43Å; Y459-F609 HydrophobicContact CD2-CE2 4.29Å; Y459-F609 AromaticContact CD2-CZ 3.99Å; Y459-F609 HydrophobicContact CD2-CZ 3.99Å; Y459-F609 AromaticContact CE1-CE2 3.51Å; Y459-F609 HydrophobicContact CE1-CE2 3.77Å; Y459-F609 AromaticContact CE1-CZ 3.88Å; Y459-F609 HydrophobicContact CE1-CZ 4.06Å; Y459-F609 HydrophobicContact CE2-CE2 4.13Å; Y459-F609 HydrophobicContact CE2-CZ 4.31Å; Y459-F609 HydrophobicContact CG-CE2 4.32Å; Y459-F609 AromaticContact CG-CZ 3.83Å; Y459-F609 HydrophobicContact CG-CZ 3.83Å; Y459-F609 AromaticContact CZ-CE2 3.97Å |
| 460 | G | 81.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C431 S456 F457 I458 I462 C463 N464 | C431-G460 WeakPolarHBondContact SG-CA 3.34Å; S456-G460 PolarHBondContact O-N 3.32Å; F457-G460 PolarHBondContact O-N 3.04Å; I458-G460 PolarHBondContact O-N 3.44Å; G460-I462 VanDerWaalsContact C-N 3.35Å; G460-C463 PolarHBondContact O-N 3Å; G460-N464 PolarHBondContact O-N 3.18Å |
| 461 | A | 77.7 | Confident | 78 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F457 I458 Y459 N464 A465 I485 L489 Y493 I520 | F457-A461 VanDerWaalsContact O-CB 3.26Å; F457-A461 WeakPolarHBondContact O-CB 3.41Å; F457-A461 PolarHBondContact O-N 2.91Å; F457-A461 VanDerWaalsContact O-N 3.13Å; I458-A461 WeakPolarHBondContact O-CB 3.37Å; I458-A461 PolarHBondContact O-N 3.11Å; I458-A461 VanDerWaalsContact O-N 3.14Å; Y459-A461 PolarHBondContact O-N 3.07Å; A461-N464 PolarHBondContact O-N 3.45Å; A461-A465 PolarHBondContact O-N 3.08Å; A461-A465 VanDerWaalsContact O-N 3.14Å; A461-I485 HydrophobicContact CB-CD1 4.26Å; A461-L489 HydrophobicContact CB-CD2 3.24Å; A461-Y493 HydrophobicContact CB-CE2 3.7Å; A461-Y493 WeakPolarHBondContact O-CE2 3.44Å; A461-I520 HydrophobicContact CB-CD1 4.14Å |
| 462 | I | 79 | Confident | 79 | Confident | 9.5 Ų | 9.5 | 22.8 Ų | 22.8 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 175.5 | -71.8 | 170.6 | 0 | 0 | 0 | 110.2 | P341 L420 I458 Y459 G460 N464 A465 I466 F609 | P341-I462 HydrophobicContact CB-CD1 3.93Å; P341-I462 HydrophobicContact CG-CD1 4.38Å; L420-I462 HydrophobicContact CD1-CG2 3.9Å; I458-I462 HydrophobicContact CG2-CD1 3.74Å; I458-I462 HydrophobicContact CG2-CG1 4.32Å; I458-I462 VanDerWaalsContact O-CG1 3.24Å; I458-I462 WeakPolarHBondContact O-CG1 3.47Å; I458-I462 PolarHBondContact O-N 3.03Å; Y459-I462 HydrophobicContact CD1-CD1 4.4Å; Y459-I462 PolarHBondContact O-N 3.2Å; G460-I462 VanDerWaalsContact C-N 3.35Å; I462-N464 VanDerWaalsContact C-N 3.32Å; I462-N464 PolarHBondContact O-N 3.16Å; I462-A465 PolarHBondContact O-N 3.24Å; I462-A465 VanDerWaalsContact O-N 3.15Å; I462-I466 HydrophobicContact CG2-CD1 3.45Å; I462-I466 VanDerWaalsContact CG2-CD1 3.45Å; I462-I466 HydrophobicContact CG2-CG1 4.35Å; I462-I466 WeakPolarHBondContact O-CB 3.24Å; I462-I466 VanDerWaalsContact O-CG1 3.27Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.32Å; I462-I466 VanDerWaalsContact O-N 3.12Å; I462-F609 HydrophobicContact CB-CE1 4.32Å; I462-F609 HydrophobicContact CB-CZ 4.3Å; I462-F609 HydrophobicContact CG2-CD1 4.24Å; I462-F609 HydrophobicContact CG2-CE1 3.68Å; I462-F609 HydrophobicContact CG2-CZ 3.87Å |
| 463 | C | 81 | Confident | 79.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 174.7 | -75.9 | 0 | 0 | 0 | 0 | 111.8 | V429 Y459 G460 A465 I466 C467 | V429-C463 HydrophobicContact CG1-CB 4.45Å; V429-C463 HydrophobicContact CG2-CB 3.98Å; Y459-C463 PolarHBondContact O-N 3.43Å; Y459-C463 PolarHBondContact O-SG 2.88Å; G460-C463 PolarHBondContact O-N 3Å; C463-A465 PolarHBondContact O-N 3.26Å; C463-A465 VanDerWaalsContact O-N 3.09Å; C463-I466 PolarHBondContact O-N 2.94Å; C463-C467 VanDerWaalsContact O-CB 3.28Å; C463-C467 WeakPolarHBondContact O-CB 3.42Å; C463-C467 PolarHBondContact O-N 3.42Å; C463-C467 PolarHBondContact O-SG 3.22Å; C463-C467 VanDerWaalsContact O-SG 3.32Å |
| 464 | N | 79.7 | Confident | 80.5 | Confident | 44 Ų | 44 | 23.8 Ų | 23.8 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -19.8 | 178.2 | -159.9 | 78.8 | 0 | 0 | 0 | 114.2 | G460 A461 I462 V472 I485 L489 | G460-N464 PolarHBondContact O-N 3.18Å; A461-N464 PolarHBondContact O-N 3.45Å; I462-N464 VanDerWaalsContact C-N 3.32Å; I462-N464 PolarHBondContact O-N 3.16Å; N464-V472 HydrophobicContact CB-CG2 3.88Å; N464-V472 WeakPolarHBondContact OD1-CG2 3.43Å; N464-I485 HydrophobicContact CB-CD1 4.02Å; N464-I485 WeakPolarHBondContact OD1-CG2 3.2Å; N464-L489 HydrophobicContact CB-CD1 3.66Å |
| 465 | A | 74.1 | Confident | 81 | Confident | 60 Ų | 60 | 23.2 Ų | 23.2 | 50% | 0.496 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -94.9 | -20.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A461 I462 C463 Y493 W497 | A461-A465 PolarHBondContact O-N 3.08Å; A461-A465 VanDerWaalsContact O-N 3.14Å; I462-A465 PolarHBondContact O-N 3.24Å; I462-A465 VanDerWaalsContact O-N 3.15Å; C463-A465 PolarHBondContact O-N 3.26Å; C463-A465 VanDerWaalsContact O-N 3.09Å; A465-Y493 HydrophobicContact CB-CE2 4.21Å; A465-W497 HydrophobicContact CB-CZ2 4.48Å |
| 466 | I | 77.9 | Confident | 81.1 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 9% | 0.092 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -108.3 | -29.4 | -172.6 | -63.8 | 177.8 | 0 | 0 | 0 | 112 | A416 L420 S421 I423 I462 C463 | A416-I466 WeakPolarHBondContact O-CD1 3.38Å; L420-I466 HydrophobicContact CB-CD1 3.67Å; L420-I466 HydrophobicContact CD1-CD1 3.39Å; L420-I466 VanDerWaalsContact CD1-CD1 3.41Å; L420-I466 HydrophobicContact CG-CD1 4.16Å; S421-I466 VanDerWaalsContact O-CG2 3.29Å; S421-I466 WeakPolarHBondContact O-CG2 3.45Å; I423-I466 HydrophobicContact CB-CG2 4.44Å; I423-I466 HydrophobicContact CD1-CG2 4Å; I423-I466 HydrophobicContact CG1-CG2 3.99Å; I423-I466 PolarHBondContact N-O 3.1Å; I462-I466 HydrophobicContact CG2-CD1 3.45Å; I462-I466 VanDerWaalsContact CG2-CD1 3.45Å; I462-I466 HydrophobicContact CG2-CG1 4.35Å; I462-I466 WeakPolarHBondContact O-CB 3.24Å; I462-I466 VanDerWaalsContact O-CG1 3.27Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.32Å; I462-I466 VanDerWaalsContact O-N 3.12Å; C463-I466 PolarHBondContact O-N 2.94Å |
| 467 | C | 79.2 | Confident | 80.8 | Confident | 13.5 Ų | 13.5 | 24.3 Ų | 24.3 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.3 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111 | I423 V427 C463 A470 | I423-C467 HydrophobicContact CB-CB 4.33Å; I423-C467 VanDerWaalsContact CD1-SG 3.52Å; I423-C467 HydrophobicContact CG2-CB 4.47Å; I423-C467 WeakPolarHBondContact O-CA 3.4Å; V427-C467 HydrophobicContact CG2-CB 4.46Å; C463-C467 VanDerWaalsContact O-CB 3.28Å; C463-C467 WeakPolarHBondContact O-CB 3.42Å; C463-C467 PolarHBondContact O-N 3.42Å; C463-C467 PolarHBondContact O-SG 3.22Å; C463-C467 VanDerWaalsContact O-SG 3.32Å; C467-A470 HydrophobicContact CB-CB 3.77Å |
| 468 | E | 78.6 | Confident | 80.5 | Confident | 135.5 Ų | 135.5 | 29.9 Ų | 29.9 | 63% | 0.633 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -40.5 | 174 | -120.6 | 172 | 177.6 | 0 | 0 | 111.7 | I423 R424 | I423-E468 PolarHBondContact O-N 3.1Å; I423-E468 VanDerWaalsContact O-N 3.07Å; R424-E468 WeakPolarHBondContact CG-OE1 3.27Å; R424-E468 IonicContact NE-OE1 3.06Å |
| 469 | N | 83.6 | Confident | 80.3 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 83.7 | 179 | -125.3 | -14.8 | 0 | 0 | 0 | 111.2 | S426 V427 | S426-N469 WeakPolarHBondContact CA-O 3.36Å; V427-N469 PolarHBondContact N-O 3.13Å |
| 470 | A | 84.4 | Confident | 80.1 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V427 C467 V472 | V427-A470 CarbonylContact O-C 3.57Å; V427-A470 WeakPolarHBondContact O-CA 3.27Å; C467-A470 HydrophobicContact CB-CB 3.77Å; A470-V472 HydrophobicContact CB-CG2 4.09Å |
| 471 | V | 87.7 | Confident | 80.2 | Confident | 22 Ų | 22 | 41 Ų | 41 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 105 | 166.5 | 179.3 | 0 | 0 | 0 | 0 | 108 | V427 L428 V429 Y473 F542 F549 | V427-V471 PolarHBondContact O-N 3.11Å; L428-V471 HydrophobicContact CD1-CB 4.19Å; L428-V471 HydrophobicContact CD1-CG1 4.04Å; V429-V471 PolarHBondContact N-O 3.31Å; V471-Y473 HydrophobicContact CG1-CD2 3.96Å; V471-Y473 HydrophobicContact CG1-CE2 3.41Å; V471-Y473 VanDerWaalsContact CG1-CE2 3.45Å; V471-F542 HydrophobicContact CG1-CE2 4.43Å; V471-F542 HydrophobicContact CG1-CZ 4.06Å; V471-F549 HydrophobicContact CB-CE1 3.93Å; V471-F549 HydrophobicContact CB-CZ 4.2Å; V471-F549 HydrophobicContact CG1-CZ 4.46Å; V471-F549 HydrophobicContact CG2-CE1 3.71Å; V471-F549 HydrophobicContact CG2-CZ 4.04Å |
| 472 | V | 86.5 | Confident | 80.5 | Confident | 1.5 Ų | 1.5 | 40.4 Ų | 40.4 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.8 | -174.9 | -169.3 | 0 | 0 | 0 | 0 | 112 | V429 N464 A470 F474 I485 | V429-V472 HydrophobicContact CB-CB 4.27Å; V429-V472 HydrophobicContact CB-CG1 4.07Å; V429-V472 HydrophobicContact CB-CG2 3.93Å; V429-V472 HydrophobicContact CG1-CG1 3.99Å; V429-V472 HydrophobicContact CG1-CG2 4.36Å; V429-V472 HydrophobicContact CG2-CG2 4.2Å; V429-V472 WeakPolarHBondContact O-CA 3.36Å; N464-V472 HydrophobicContact CB-CG2 3.88Å; N464-V472 WeakPolarHBondContact OD1-CG2 3.43Å; A470-V472 HydrophobicContact CB-CG2 4.09Å; V472-F474 HydrophobicContact CG1-CD2 4.18Å; V472-F474 HydrophobicContact CG1-CE1 4.43Å; V472-F474 HydrophobicContact CG1-CE2 3.61Å; V472-F474 HydrophobicContact CG1-CZ 4.25Å; V472-I485 HydrophobicContact CB-CB 4.09Å; V472-I485 HydrophobicContact CB-CG2 3.6Å; V472-I485 HydrophobicContact CG1-CB 4.44Å; V472-I485 HydrophobicContact CG1-CG2 4.44Å; V472-I485 HydrophobicContact CG2-CG2 4.15Å; V472-I485 PolarHBondContact O-N 2.81Å |
| 473 | Y | 88.5 | Confident | 80.5 | Confident | 33.5 Ų | 33.5 | 40.1 Ų | 40.1 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.4 | 177.6 | -77 | -70.5 | 0 | 0 | 0 | 111.5 | L428 V429 I430 C431 V471 V482 A483 I538 F542 | L428-Y473 HydrophobicContact CD1-CD2 4.13Å; L428-Y473 HydrophobicContact CD1-CE2 4.25Å; V429-Y473 PolarHBondContact O-N 3.16Å; I430-Y473 CarbonylContact C-O 3.47Å; I430-Y473 WeakPolarHBondContact CA-O 3.42Å; I430-Y473 HydrophobicContact CD1-CD2 4.41Å; C431-Y473 PolarHBondContact N-O 2.84Å; V471-Y473 HydrophobicContact CG1-CD2 3.96Å; V471-Y473 HydrophobicContact CG1-CE2 3.41Å; V471-Y473 VanDerWaalsContact CG1-CE2 3.45Å; Y473-V482 VanDerWaalsContact CB-CG1 3.42Å; Y473-V482 HydrophobicContact CD1-CB 4.04Å; Y473-V482 HydrophobicContact CD1-CG1 3.05Å; Y473-V482 HydrophobicContact CD1-CG2 3.76Å; Y473-V482 HydrophobicContact CE1-CG1 3.92Å; Y473-V482 HydrophobicContact CE1-CG2 4.37Å; Y473-V482 HydrophobicContact CG-CB 4.38Å; Y473-V482 HydrophobicContact CG-CG1 3.46Å; Y473-V482 VanDerWaalsContact CG-CG1 3.46Å; Y473-V482 HydrophobicContact CG-CG2 4.24Å; Y473-A483 WeakPolarHBondContact CA-O 3.49Å; Y473-I538 HydrophobicContact CD1-CD1 4.31Å; Y473-I538 HydrophobicContact CE1-CD1 3.79Å; Y473-I538 HydrophobicContact CE1-CG2 4.44Å; Y473-I538 HydrophobicContact CE2-CG2 3.89Å; Y473-F542 AromaticContact CE2-CE2 3.71Å; Y473-F542 HydrophobicContact CE2-CE2 3.88Å; Y473-F542 AromaticContact CE2-CZ 3.74Å; Y473-F542 HydrophobicContact CE2-CZ 3.74Å |
| 474 | F | 84.8 | Confident | 80.4 | Confident | 1.5 Ų | 1.5 | 42.1 Ų | 42.1 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.5 | 176.3 | -70.4 | -79.4 | 0 | 0 | 0 | 110.9 | C431 L433 F457 V472 V476 V482 A483 I485 M488 | C431-F474 HydrophobicContact CB-CD1 3.31Å; C431-F474 HydrophobicContact CB-CD2 4.5Å; C431-F474 HydrophobicContact CB-CE1 3.4Å; C431-F474 HydrophobicContact CB-CE2 4.45Å; C431-F474 HydrophobicContact CB-CG 4.2Å; C431-F474 HydrophobicContact CB-CZ 3.85Å; C431-F474 CarbonylContact O-C 3.59Å; C431-F474 VanDerWaalsContact O-CA 3.31Å; C431-F474 WeakPolarHBondContact O-CA 3.42Å; L433-F474 HydrophobicContact CD1-CB 4.03Å; L433-F474 HydrophobicContact CD1-CD1 3.58Å; L433-F474 HydrophobicContact CD1-CE1 4.44Å; L433-F474 HydrophobicContact CD1-CG 4.19Å; L433-F474 HydrophobicContact CD2-CD1 4.27Å; L433-F474 HydrophobicContact CG-CD1 3.8Å; F457-F474 HydrophobicContact CB-CD1 4.48Å; F457-F474 HydrophobicContact CB-CE1 4.14Å; F457-F474 AromaticContact CD1-CD1 3.53Å; F457-F474 HydrophobicContact CD1-CD1 3.53Å; F457-F474 HydrophobicContact CD1-CD2 4.42Å; F457-F474 AromaticContact CD1-CE1 3.84Å; F457-F474 HydrophobicContact CD1-CE1 3.84Å; F457-F474 AromaticContact CD1-CG 3.9Å; F457-F474 HydrophobicContact CD1-CG 3.9Å; F457-F474 HydrophobicContact CD1-CZ 4.32Å; F457-F474 HydrophobicContact CD2-CD1 4.11Å; F457-F474 AromaticContact CD2-CE1 3.39Å; F457-F474 HydrophobicContact CD2-CE1 3.39Å; F457-F474 AromaticContact CD2-CZ 3.69Å; F457-F474 HydrophobicContact CD2-CZ 3.69Å; F457-F474 HydrophobicContact CE1-CB 3.8Å; F457-F474 AromaticContact CE1-CD1 3.64Å; F457-F474 HydrophobicContact CE1-CD1 3.64Å; F457-F474 HydrophobicContact CE1-CD2 4.32Å; F457-F474 HydrophobicContact CE1-CE1 4.4Å; F457-F474 AromaticContact CE1-CG 3.64Å; F457-F474 HydrophobicContact CE1-CG 3.64Å; F457-F474 HydrophobicContact CE2-CD1 4.23Å; F457-F474 HydrophobicContact CE2-CE1 4.05Å; F457-F474 AromaticContact CE2-CZ 3.97Å; F457-F474 HydrophobicContact CE2-CZ 3.97Å; F457-F474 AromaticContact CG-CD1 3.79Å; F457-F474 HydrophobicContact CG-CD1 3.79Å; F457-F474 AromaticContact CG-CE1 3.94Å; F457-F474 HydrophobicContact CG-CE1 3.99Å; F457-F474 HydrophobicContact CG-CZ 4.31Å; F457-F474 HydrophobicContact CZ-CB 3.91Å; F457-F474 HydrophobicContact CZ-CD1 4Å; F457-F474 HydrophobicContact CZ-CG 4.14Å; V472-F474 HydrophobicContact CG1-CD2 4.18Å; V472-F474 HydrophobicContact CG1-CE1 4.43Å; V472-F474 HydrophobicContact CG1-CE2 3.61Å; V472-F474 HydrophobicContact CG1-CZ 4.25Å; F474-V476 WeakPolarHBondContact O-CG2 3.42Å; F474-V476 PolarHBondContact O-N 3.03Å; F474-V482 CarbonylContact O-C 3.55Å; F474-V482 WeakPolarHBondContact O-CA 3.14Å; F474-A483 PolarHBondContact N-O 2.81Å; F474-A483 PolarHBondContact O-N 3.34Å; F474-I485 HydrophobicContact CB-CD1 3.92Å; F474-I485 HydrophobicContact CD1-CD1 4.49Å; F474-I485 HydrophobicContact CD2-CB 4.2Å; F474-I485 HydrophobicContact CD2-CD1 3.11Å; F474-I485 HydrophobicContact CD2-CG1 3.79Å; F474-I485 HydrophobicContact CE2-CB 3.87Å; F474-I485 HydrophobicContact CE2-CD1 3.76Å; F474-I485 HydrophobicContact CE2-CG1 3.99Å; F474-I485 HydrophobicContact CE2-CG2 4.28Å; F474-I485 HydrophobicContact CG-CD1 3.58Å; F474-I485 HydrophobicContact CZ-CB 4.33Å; F474-I485 HydrophobicContact CZ-CD1 3.83Å; F474-I485 HydrophobicContact CZ-CG1 4.17Å; F474-M488 HydrophobicContact CD2-SD 3.58Å; F474-M488 VanDerWaalsContact CD2-SD 3.58Å; F474-M488 HydrophobicContact CE2-SD 4.21Å; F474-M488 HydrophobicContact CG-SD 4.49Å |
| 475 | V | 83.2 | Confident | 79.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.9 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | I430 C431 L433 D477 Y480 N481 V482 L535 P559 | I430-V475 HydrophobicContact CG2-CG2 3.98Å; C431-V475 PolarHBondContact O-N 3.03Å; L433-V475 CarbonylContact C-O 3.58Å; L433-V475 VanDerWaalsContact CA-O 3.32Å; L433-V475 WeakPolarHBondContact CA-O 3.22Å; L433-V475 VanDerWaalsContact CB-O 3.24Å; L433-V475 WeakPolarHBondContact CB-O 3.26Å; L433-V475 PolarHBondContact N-O 2.88Å; V475-D477 WeakPolarHBondContact CG1-O 3.45Å; V475-Y480 HydrophobicContact CG1-CD1 3.97Å; V475-Y480 HydrophobicContact CG2-CD1 4.33Å; V475-N481 CarbonylContact C-O 3.57Å; V475-N481 WeakPolarHBondContact CA-O 3.18Å; V475-V482 HydrophobicContact CG2-CG1 3.99Å; V475-V482 HydrophobicContact CG2-CG2 4.03Å; V475-L535 HydrophobicContact CG2-CD1 3.86Å; V475-P559 HydrophobicContact CG2-CG 4.22Å |
| 476 | V | 77.9 | Confident | 79.4 | Confident | 4.5 Ų | 4.5 | 41.7 Ų | 41.7 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | trans | -95.1 | -32.9 | -169.7 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | F474 N481 A483 R527 W530 K532 | F474-V476 WeakPolarHBondContact O-CG2 3.42Å; F474-V476 PolarHBondContact O-N 3.03Å; V476-N481 PolarHBondContact N-O 3.26Å; V476-A483 HydrophobicContact CG2-CB 3.97Å; V476-R527 WeakPolarHBondContact CG1-O 2.88Å; V476-W530 HydrophobicContact CG2-CE3 4.03Å; V476-W530 HydrophobicContact CG2-CZ3 4.25Å; V476-K532 HydrophobicContact CG1-CD 4.38Å; V476-K532 HydrophobicContact CG1-CG 4.31Å | ||
| 477 | D | 74.5 | Confident | 78.5 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -142.3 | 179.2 | -175.2 | 53.3 | 38.4 | 0 | 0 | 0 | 112.4 | V475 D479 Y480 N481 K532 | V475-D477 WeakPolarHBondContact CG1-O 3.45Å; D477-D479 VanDerWaalsContact C-N 3.26Å; D477-D479 PolarHBondContact O-N 3.32Å; D477-D479 PolarHBondContact OD1-N 3.14Å; D477-Y480 PolarHBondContact O-N 3.03Å; D477-N481 VanDerWaalsContact CG-ND2 3.31Å; D477-N481 WeakPolarHBondContact OD1-CB 3.31Å; D477-N481 PolarHBondContact OD1-N 3.24Å; D477-N481 PolarHBondContact OD1-ND2 2.89Å; D477-N481 WeakPolarHBondContact OD2-CB 3.27Å; D477-N481 PolarHBondContact OD2-ND2 3.15Å; D477-K532 WeakPolarHBondContact OD2-CD 3.48Å; D477-K532 VanDerWaalsContact OD2-CE 3.23Å; D477-K532 WeakPolarHBondContact OD2-CE 3.46Å; D477-K532 IonicContact OD2-NZ 2.81Å; D477-K532 PolarHBondContact OD2-NZ 3.08Å |
| 478 | N | 72.2 | Confident | 77.6 | Confident | 122 Ų | 122 | 48.4 Ų | 48.4 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.2 | -175.1 | -60.8 | -6.1 | 0 | 0 | 0 | 112.7 | S435 Y480 | S435-N478 PolarHBondContact OG-OD1 3.37Å; N478-Y480 PolarHBondContact O-N 3.1Å |
| 479 | D | 72.5 | Confident | 76.6 | Confident | 126.5 Ų | 126.5 | 43 Ų | 43 | 68% | 0.676 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.1 | 177.5 | -50 | -44.6 | 0 | 0 | 0 | 111.4 | D477 N481 | D477-D479 VanDerWaalsContact C-N 3.26Å; D477-D479 PolarHBondContact O-N 3.32Å; D477-D479 PolarHBondContact OD1-N 3.14Å; D479-N481 PolarHBondContact O-N 3.27Å |
| 480 | Y | 78.6 | Confident | 75.2 | Confident | 82.5 Ų | 82.5 | 43.5 Ų | 43.5 | 32% | 0.324 | 22% | 0.219 | S | C | . | . | trans | 55.4 | 32.5 | -176.4 | -59.9 | -72.4 | 0 | 0 | 0 | 114.1 | V475 D477 N478 L535 P559 | V475-Y480 HydrophobicContact CG1-CD1 3.97Å; V475-Y480 HydrophobicContact CG2-CD1 4.33Å; D477-Y480 PolarHBondContact O-N 3.03Å; N478-Y480 PolarHBondContact O-N 3.1Å; Y480-L535 VanDerWaalsContact O-CB 3.24Å; Y480-L535 WeakPolarHBondContact O-CB 3.44Å; Y480-L535 PolarHBondContact O-N 3.03Å; Y480-P559 HydrophobicContact CD1-CB 3.63Å; Y480-P559 VanDerWaalsContact CD1-CB 3.46Å; Y480-P559 HydrophobicContact CD1-CG 3.57Å; Y480-P559 HydrophobicContact CD2-CB 4.16Å; Y480-P559 HydrophobicContact CE1-CB 3.65Å; Y480-P559 VanDerWaalsContact CE1-CB 3.48Å; Y480-P559 HydrophobicContact CE1-CG 3.65Å; Y480-P559 HydrophobicContact CE2-CB 4.17Å; Y480-P559 HydrophobicContact CG-CB 4.05Å; Y480-P559 HydrophobicContact CG-CG 4.21Å | ||
| 481 | N | 82.7 | Confident | 73.5 | Confident | 35.5 Ų | 35.5 | 46.5 Ų | 46.5 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 141.1 | 168.6 | -63 | -63.6 | 0 | 0 | 0 | 110.3 | V475 V476 D477 D479 K532 Y533 | V475-N481 CarbonylContact C-O 3.57Å; V475-N481 WeakPolarHBondContact CA-O 3.18Å; V476-N481 PolarHBondContact N-O 3.26Å; D477-N481 VanDerWaalsContact CG-ND2 3.31Å; D477-N481 WeakPolarHBondContact OD1-CB 3.31Å; D477-N481 PolarHBondContact OD1-N 3.24Å; D477-N481 PolarHBondContact OD1-ND2 2.89Å; D477-N481 WeakPolarHBondContact OD2-CB 3.27Å; D477-N481 PolarHBondContact OD2-ND2 3.15Å; D479-N481 PolarHBondContact O-N 3.27Å; N481-K532 HydrophobicContact CB-CB 4.09Å; N481-K532 HydrophobicContact CB-CD 4.24Å; N481-K532 HydrophobicContact CB-CG 4.3Å; N481-Y533 CarbonylContact C-O 3.55Å; N481-Y533 WeakPolarHBondContact CA-O 3.5Å |
| 482 | V | 84 | Confident | 71.6 | Confident | 0.5 Ų | 0.5 | 46.1 Ų | 46.1 | 0% | 0.003 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.8 | -173.9 | -132 | 0 | 0 | 0 | 0 | 112.4 | Y473 F474 V475 Y533 L535 I538 | Y473-V482 VanDerWaalsContact CB-CG1 3.42Å; Y473-V482 HydrophobicContact CD1-CB 4.04Å; Y473-V482 HydrophobicContact CD1-CG1 3.05Å; Y473-V482 HydrophobicContact CD1-CG2 3.76Å; Y473-V482 HydrophobicContact CE1-CG1 3.92Å; Y473-V482 HydrophobicContact CE1-CG2 4.37Å; Y473-V482 HydrophobicContact CG-CB 4.38Å; Y473-V482 HydrophobicContact CG-CG1 3.46Å; Y473-V482 VanDerWaalsContact CG-CG1 3.46Å; Y473-V482 HydrophobicContact CG-CG2 4.24Å; F474-V482 CarbonylContact O-C 3.55Å; F474-V482 WeakPolarHBondContact O-CA 3.14Å; V475-V482 HydrophobicContact CG2-CG1 3.99Å; V475-V482 HydrophobicContact CG2-CG2 4.03Å; V482-Y533 PolarHBondContact N-O 2.89Å; V482-Y533 PolarHBondContact O-N 3.4Å; V482-Y533 VanDerWaalsContact O-N 3.14Å; V482-L535 HydrophobicContact CB-CB 4.44Å; V482-L535 HydrophobicContact CG1-CB 4.22Å; V482-L535 HydrophobicContact CG1-CD1 4.26Å; V482-L535 HydrophobicContact CG2-CB 3.99Å; V482-L535 HydrophobicContact CG2-CD1 4Å; V482-L535 HydrophobicContact CG2-CG 3.81Å; V482-I538 HydrophobicContact CB-CD1 4.08Å; V482-I538 HydrophobicContact CG1-CD1 3.83Å; V482-I538 HydrophobicContact CG2-CD1 3.39Å |
| 483 | A | 80.1 | Confident | 69.6 | Low | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y473 F474 V476 M488 W530 | Y473-A483 WeakPolarHBondContact CA-O 3.49Å; F474-A483 PolarHBondContact N-O 2.81Å; F474-A483 PolarHBondContact O-N 3.34Å; V476-A483 HydrophobicContact CG2-CB 3.97Å; A483-M488 HydrophobicContact CB-CE 3.78Å; A483-M488 HydrophobicContact CB-CG 4.36Å; A483-M488 HydrophobicContact CB-SD 4.15Å; A483-W530 HydrophobicContact CB-CB 4.23Å; A483-W530 HydrophobicContact CB-CD2 4.43Å; A483-W530 HydrophobicContact CB-CE3 3.77Å |
| 484 | S | 78.5 | Confident | 67.4 | Low | 42 Ų | 42 | 49.1 Ų | 49.1 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.4 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | N486 R487 M488 | S484-N486 PolarHBondContact O-N 2.8Å; S484-N486 PolarHBondContact OG-N 2.96Å; S484-R487 PolarHBondContact O-N 3.1Å; S484-M488 WeakPolarHBondContact O-CG 3.43Å; S484-M488 PolarHBondContact O-N 2.8Å |
| 485 | I | 68 | Low | 65.4 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.9 | -4.7 | -178.5 | -117.1 | 174.1 | 0 | 0 | 0 | 112 | A461 N464 V472 F474 R487 M488 L489 W530 | A461-I485 HydrophobicContact CB-CD1 4.26Å; N464-I485 HydrophobicContact CB-CD1 4.02Å; N464-I485 WeakPolarHBondContact OD1-CG2 3.2Å; V472-I485 HydrophobicContact CB-CB 4.09Å; V472-I485 HydrophobicContact CB-CG2 3.6Å; V472-I485 HydrophobicContact CG1-CB 4.44Å; V472-I485 HydrophobicContact CG1-CG2 4.44Å; V472-I485 HydrophobicContact CG2-CG2 4.15Å; V472-I485 PolarHBondContact O-N 2.81Å; F474-I485 HydrophobicContact CB-CD1 3.92Å; F474-I485 HydrophobicContact CD1-CD1 4.49Å; F474-I485 HydrophobicContact CD2-CB 4.2Å; F474-I485 HydrophobicContact CD2-CD1 3.11Å; F474-I485 HydrophobicContact CD2-CG1 3.79Å; F474-I485 HydrophobicContact CE2-CB 3.87Å; F474-I485 HydrophobicContact CE2-CD1 3.76Å; F474-I485 HydrophobicContact CE2-CG1 3.99Å; F474-I485 HydrophobicContact CE2-CG2 4.28Å; F474-I485 HydrophobicContact CG-CD1 3.58Å; F474-I485 HydrophobicContact CZ-CB 4.33Å; F474-I485 HydrophobicContact CZ-CD1 3.83Å; F474-I485 HydrophobicContact CZ-CG1 4.17Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 3.22Å; I485-M488 HydrophobicContact CD1-CE 3.8Å; I485-M488 HydrophobicContact CD1-SD 3.63Å; I485-M488 HydrophobicContact CG1-CE 3.9Å; I485-M488 HydrophobicContact CG1-SD 4.14Å; I485-M488 HydrophobicContact CG2-CB 3.67Å; I485-M488 HydrophobicContact CG2-CG 4.11Å; I485-M488 HydrophobicContact CG2-SD 3.97Å; I485-M488 PolarHBondContact O-N 2.89Å; I485-L489 HydrophobicContact CD1-CD1 4.17Å; I485-L489 HydrophobicContact CG1-CD1 3.71Å; I485-L489 HydrophobicContact CG1-CG 3.9Å; I485-L489 HydrophobicContact CG2-CB 4.28Å; I485-L489 HydrophobicContact CG2-CD1 4.19Å; I485-L489 HydrophobicContact CG2-CG 3.95Å; I485-L489 VanDerWaalsContact O-CB 3.24Å; I485-L489 WeakPolarHBondContact O-CB 3.46Å; I485-L489 VanDerWaalsContact O-CG 3.29Å; I485-L489 WeakPolarHBondContact O-CG 2.98Å; I485-L489 PolarHBondContact O-N 3.06Å; I485-W530 HydrophobicContact CD1-CH2 4.24Å; I485-W530 HydrophobicContact CD1-CZ3 4.08Å |
| 486 | N | 64.1 | Low | 63.2 | Low | 92 Ų | 92 | 54.5 Ų | 54.5 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 175.7 | -80.7 | -12.4 | 0 | 0 | 0 | 111.1 | S484 L490 | S484-N486 PolarHBondContact O-N 2.8Å; S484-N486 PolarHBondContact OG-N 2.96Å; N486-L490 WeakPolarHBondContact O-CB 3.28Å; N486-L490 WeakPolarHBondContact O-CD1 3.19Å; N486-L490 WeakPolarHBondContact O-CG 3.45Å; N486-L490 PolarHBondContact O-N 3.38Å |
| 487 | R | 59.6 | Low | 61.1 | Low | 162 Ų | 162 | 60.5 Ų | 60.5 | 61% | 0.611 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -77.9 | -34.5 | 179.4 | -153.2 | 172.6 | -177.8 | 135.6 | -2.3 | 113.4 | S484 I485 L490 L491 E531 Y533 | S484-R487 PolarHBondContact O-N 3.1Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 3.22Å; R487-L490 PolarHBondContact O-N 3.42Å; R487-L491 WeakPolarHBondContact O-CB 3.17Å; R487-L491 WeakPolarHBondContact O-CD1 3.43Å; R487-L491 WeakPolarHBondContact O-CG 3.35Å; R487-L491 PolarHBondContact O-N 3.11Å; R487-E531 IonicContact CZ-OE2 3.12Å; R487-E531 IonicContact NE-OE2 3.78Å; R487-E531 PolarHBondContact NE-OE2 3.44Å; R487-E531 IonicContact NH2-OE1 3.38Å; R487-E531 PolarHBondContact NH2-OE1 3.35Å; R487-E531 IonicContact NH2-OE2 2.7Å; R487-E531 PolarHBondContact NH2-OE2 2.83Å; R487-Y533 VanDerWaalsContact CZ-OH 3.26Å; R487-Y533 PolarHBondContact NH1-OH 2.94Å; R487-Y533 PolarHBondContact NH2-OH 2.96Å |
| 488 | M | 60.4 | Low | 59.2 | Low | 10.5 Ų | 10.5 | 67.7 Ų | 67.7 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.2 | -34 | -177.5 | -133.2 | -166.8 | -131.4 | 0 | 0 | 113.3 | F457 F474 A483 S484 I485 L490 L491 L492 I523 W530 | F457-M488 HydrophobicContact CE2-SD 4.47Å; F474-M488 HydrophobicContact CD2-SD 3.58Å; F474-M488 VanDerWaalsContact CD2-SD 3.58Å; F474-M488 HydrophobicContact CE2-SD 4.21Å; F474-M488 HydrophobicContact CG-SD 4.49Å; A483-M488 HydrophobicContact CB-CE 3.78Å; A483-M488 HydrophobicContact CB-CG 4.36Å; A483-M488 HydrophobicContact CB-SD 4.15Å; S484-M488 WeakPolarHBondContact O-CG 3.43Å; S484-M488 PolarHBondContact O-N 2.8Å; I485-M488 HydrophobicContact CD1-CE 3.8Å; I485-M488 HydrophobicContact CD1-SD 3.63Å; I485-M488 HydrophobicContact CG1-CE 3.9Å; I485-M488 HydrophobicContact CG1-SD 4.14Å; I485-M488 HydrophobicContact CG2-CB 3.67Å; I485-M488 HydrophobicContact CG2-CG 4.11Å; I485-M488 HydrophobicContact CG2-SD 3.97Å; I485-M488 PolarHBondContact O-N 2.89Å; M488-L490 VanDerWaalsContact C-N 3.26Å; M488-L491 HydrophobicContact CB-CD1 4.08Å; M488-L491 HydrophobicContact CG-CD1 4.36Å; M488-L491 WeakPolarHBondContact O-CA 3.4Å; M488-L491 VanDerWaalsContact O-CB 3.31Å; M488-L491 WeakPolarHBondContact O-CB 3.38Å; M488-L491 PolarHBondContact O-N 3.12Å; M488-L492 WeakPolarHBondContact O-CD1 3.23Å; M488-L492 VanDerWaalsContact O-CG 3.31Å; M488-L492 WeakPolarHBondContact O-CG 3.49Å; M488-L492 PolarHBondContact O-N 3.12Å; M488-L492 VanDerWaalsContact O-N 3.1Å; M488-I523 HydrophobicContact CE-CG2 4.16Å; M488-I523 HydrophobicContact CG-CD1 4.2Å; M488-I523 HydrophobicContact CG-CG1 4.39Å; M488-I523 HydrophobicContact CG-CG2 3.79Å; M488-I523 HydrophobicContact SD-CG2 3.48Å; M488-I523 WeakPolarHBondContact SD-CG2 3.36Å; M488-W530 HydrophobicContact CB-CE3 4.41Å; M488-W530 HydrophobicContact CB-CH2 4.14Å; M488-W530 HydrophobicContact CB-CZ2 4.5Å; M488-W530 HydrophobicContact CB-CZ3 4.12Å; M488-W530 HydrophobicContact CE-CB 4.33Å; M488-W530 VanDerWaalsContact CE-CD1 3.47Å; M488-W530 HydrophobicContact CE-CD2 3.72Å; M488-W530 HydrophobicContact CE-CE3 4.27Å; M488-W530 HydrophobicContact CE-CG 3.9Å; M488-W530 HydrophobicContact CE-CH2 3.83Å; M488-W530 HydrophobicContact CE-CZ2 3.16Å; M488-W530 HydrophobicContact CE-CZ3 4.34Å; M488-W530 HydrophobicContact CG-CD2 3.85Å; M488-W530 HydrophobicContact CG-CE3 3.8Å; M488-W530 HydrophobicContact CG-CG 4.46Å; M488-W530 HydrophobicContact CG-CH2 4.23Å; M488-W530 HydrophobicContact CG-CZ2 4.3Å; M488-W530 HydrophobicContact CG-CZ3 4Å; M488-W530 HydrophobicContact SD-CH2 3.84Å; M488-W530 HydrophobicContact SD-CZ2 3.44Å; M488-W530 WeakPolarHBondContact SD-CZ2 3.46Å |
| 489 | L | 57.1 | Low | 57.4 | Low | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 170.4 | -81.6 | 170.8 | 0 | 0 | 0 | 111.2 | A461 N464 I485 L491 L492 Y493 | A461-L489 HydrophobicContact CB-CD2 3.24Å; N464-L489 HydrophobicContact CB-CD1 3.66Å; I485-L489 HydrophobicContact CD1-CD1 4.17Å; I485-L489 HydrophobicContact CG1-CD1 3.71Å; I485-L489 HydrophobicContact CG1-CG 3.9Å; I485-L489 HydrophobicContact CG2-CB 4.28Å; I485-L489 HydrophobicContact CG2-CD1 4.19Å; I485-L489 HydrophobicContact CG2-CG 3.95Å; I485-L489 VanDerWaalsContact O-CB 3.24Å; I485-L489 WeakPolarHBondContact O-CB 3.46Å; I485-L489 VanDerWaalsContact O-CG 3.29Å; I485-L489 WeakPolarHBondContact O-CG 2.98Å; I485-L489 PolarHBondContact O-N 3.06Å; L489-L491 VanDerWaalsContact C-N 3.29Å; L489-L491 PolarHBondContact O-N 3.4Å; L489-L492 HydrophobicContact CD2-CD1 4.26Å; L489-L492 CarbonylContact O-C 3.52Å; L489-L492 PolarHBondContact O-N 3.2Å; L489-L492 VanDerWaalsContact O-N 3.1Å; L489-Y493 HydrophobicContact CB-CD2 3.92Å; L489-Y493 HydrophobicContact CB-CE2 3.98Å; L489-Y493 HydrophobicContact CD1-CE2 4.41Å; L489-Y493 HydrophobicContact CD2-CD2 3.75Å; L489-Y493 HydrophobicContact CD2-CE2 3.97Å; L489-Y493 HydrophobicContact CG-CE2 4.34Å; L489-Y493 VanDerWaalsContact O-CB 3.31Å; L489-Y493 WeakPolarHBondContact O-CB 3.32Å; L489-Y493 WeakPolarHBondContact O-CD2 3.43Å; L489-Y493 PolarHBondContact O-N 3.24Å |
| 490 | L | 53.9 | Low | 55.8 | Low | 109.5 Ų | 109.5 | 68.2 Ų | 68.2 | 57% | 0.573 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.6 | -32.5 | 169.7 | -96.9 | 153 | 0 | 0 | 0 | 112.7 | N486 R487 M488 L492 G494 | N486-L490 WeakPolarHBondContact O-CB 3.28Å; N486-L490 WeakPolarHBondContact O-CD1 3.19Å; N486-L490 WeakPolarHBondContact O-CG 3.45Å; N486-L490 PolarHBondContact O-N 3.38Å; R487-L490 PolarHBondContact O-N 3.42Å; M488-L490 VanDerWaalsContact C-N 3.26Å; L490-L492 VanDerWaalsContact C-N 3.33Å; L490-G494 VanDerWaalsContact O-CA 3.31Å; L490-G494 WeakPolarHBondContact O-CA 3.3Å; L490-G494 PolarHBondContact O-N 3.07Å |
| 491 | L | 49.7 | Very low | 53.9 | Low | 77.5 Ų | 77.5 | 72.8 Ų | 72.8 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -78 | -28.7 | 175.6 | -65.2 | 166.4 | 0 | 0 | 0 | 112.7 | R487 M488 L489 F509 W530 | R487-L491 WeakPolarHBondContact O-CB 3.17Å; R487-L491 WeakPolarHBondContact O-CD1 3.43Å; R487-L491 WeakPolarHBondContact O-CG 3.35Å; R487-L491 PolarHBondContact O-N 3.11Å; M488-L491 HydrophobicContact CB-CD1 4.08Å; M488-L491 HydrophobicContact CG-CD1 4.36Å; M488-L491 WeakPolarHBondContact O-CA 3.4Å; M488-L491 VanDerWaalsContact O-CB 3.31Å; M488-L491 WeakPolarHBondContact O-CB 3.38Å; M488-L491 PolarHBondContact O-N 3.12Å; L489-L491 VanDerWaalsContact C-N 3.29Å; L489-L491 PolarHBondContact O-N 3.4Å; L491-F509 HydrophobicContact CB-CD2 4.04Å; L491-F509 HydrophobicContact CB-CE2 3.83Å; L491-F509 HydrophobicContact CB-CZ 4.16Å; L491-F509 HydrophobicContact CD1-CD2 4.48Å; L491-F509 HydrophobicContact CD1-CE2 3.66Å; L491-F509 HydrophobicContact CD1-CZ 4.12Å; L491-F509 HydrophobicContact CD2-CD2 3.62Å; L491-F509 HydrophobicContact CD2-CE2 3.62Å; L491-F509 HydrophobicContact CG-CD2 4.23Å; L491-F509 HydrophobicContact CG-CE2 3.87Å; L491-W530 HydrophobicContact CB-CH2 4.34Å; L491-W530 HydrophobicContact CB-CZ3 3.73Å; L491-W530 HydrophobicContact CD1-CE3 3.93Å; L491-W530 HydrophobicContact CD1-CZ3 3.63Å; L491-W530 HydrophobicContact CG-CZ3 4.33Å |
| 492 | L | 47.6 | Very low | 51.7 | Low | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -81 | -41.5 | 174.7 | -113.6 | 150.4 | 0 | 0 | 0 | 111.7 | F457 M488 L489 L490 S495 F509 L516 I520 I523 | F457-L492 HydrophobicContact CE1-CD1 3.51Å; F457-L492 HydrophobicContact CZ-CD1 4.08Å; M488-L492 WeakPolarHBondContact O-CD1 3.23Å; M488-L492 VanDerWaalsContact O-CG 3.31Å; M488-L492 WeakPolarHBondContact O-CG 3.49Å; M488-L492 PolarHBondContact O-N 3.12Å; M488-L492 VanDerWaalsContact O-N 3.1Å; L489-L492 HydrophobicContact CD2-CD1 4.26Å; L489-L492 CarbonylContact O-C 3.52Å; L489-L492 PolarHBondContact O-N 3.2Å; L489-L492 VanDerWaalsContact O-N 3.1Å; L490-L492 VanDerWaalsContact C-N 3.33Å; L492-S495 PolarHBondContact O-OG 3.37Å; L492-F509 HydrophobicContact CD2-CD1 3.73Å; L492-F509 HydrophobicContact CD2-CE1 3.39Å; L492-F509 HydrophobicContact CD2-CZ 4.04Å; L492-L516 HydrophobicContact CD2-CD1 3.79Å; L492-I520 HydrophobicContact CD1-CG1 3.86Å; L492-I523 HydrophobicContact CB-CD1 3.96Å; L492-I523 HydrophobicContact CD1-CD1 3.46Å; L492-I523 HydrophobicContact CD1-CG1 3.63Å; L492-I523 HydrophobicContact CG-CD1 4.04Å |
| 493 | Y | 44.5 | Very low | 49.5 | Very low | 66.5 Ų | 66.5 | 83.5 Ų | 83.5 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -87.2 | -24.8 | 179.7 | -80.2 | -61.8 | 0 | 0 | 0 | 113.7 | A461 A465 L489 S495 L496 W497 | A461-Y493 HydrophobicContact CB-CE2 3.7Å; A461-Y493 WeakPolarHBondContact O-CE2 3.44Å; A465-Y493 HydrophobicContact CB-CE2 4.21Å; L489-Y493 HydrophobicContact CB-CD2 3.92Å; L489-Y493 HydrophobicContact CB-CE2 3.98Å; L489-Y493 HydrophobicContact CD1-CE2 4.41Å; L489-Y493 HydrophobicContact CD2-CD2 3.75Å; L489-Y493 HydrophobicContact CD2-CE2 3.97Å; L489-Y493 HydrophobicContact CG-CE2 4.34Å; L489-Y493 VanDerWaalsContact O-CB 3.31Å; L489-Y493 WeakPolarHBondContact O-CB 3.32Å; L489-Y493 WeakPolarHBondContact O-CD2 3.43Å; L489-Y493 PolarHBondContact O-N 3.24Å; Y493-S495 PolarHBondContact O-N 3.17Å; Y493-L496 HydrophobicContact CD1-CB 4.14Å; Y493-L496 HydrophobicContact CD1-CD1 3.9Å; Y493-L496 HydrophobicContact CE1-CD1 4.19Å; Y493-L496 CarbonylContact O-C 3.53Å; Y493-L496 VanDerWaalsContact O-CA 3.3Å; Y493-L496 WeakPolarHBondContact O-CA 3.38Å; Y493-L496 VanDerWaalsContact O-CB 3.28Å; Y493-L496 WeakPolarHBondContact O-CB 3.33Å; Y493-L496 PolarHBondContact O-N 3.13Å; Y493-W497 AromaticContact CD1-CD1 3.58Å; Y493-W497 AromaticContact CD1-NE1 3.01Å; Y493-W497 AromaticContact CE1-NE1 3.72Å; Y493-W497 AromaticContact CG-CD1 3.93Å; Y493-W497 AromaticContact CG-NE1 3.57Å; Y493-W497 PolarHBondContact O-N 3.17Å |
| 494 | G | 42.3 | Very low | 47.7 | Very low | 31.5 Ų | 31.5 | 92.8 Ų | 92.8 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L490 L496 | L490-G494 VanDerWaalsContact O-CA 3.31Å; L490-G494 WeakPolarHBondContact O-CA 3.3Å; L490-G494 PolarHBondContact O-N 3.07Å; G494-L496 VanDerWaalsContact C-N 3.28Å |
| 495 | S | 41.2 | Very low | 45.7 | Very low | 46 Ų | 46 | 97.9 Ų | 97.9 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8 | 165.2 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | L492 Y493 K519 | L492-S495 PolarHBondContact O-OG 3.37Å; Y493-S495 PolarHBondContact O-N 3.17Å; S495-K519 PolarHBondContact OG-NZ 3.22Å |
| 496 | L | 37.1 | Very low | 44.3 | Very low | 69.5 Ų | 69.5 | 101.9 Ų | 101.9 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -22.1 | -179.2 | -95.9 | 130.8 | 0 | 0 | 0 | 113.5 | T409 Y493 G494 | T409-L496 HydrophobicContact CG2-CD2 4.2Å; Y493-L496 HydrophobicContact CD1-CB 4.14Å; Y493-L496 HydrophobicContact CD1-CD1 3.9Å; Y493-L496 HydrophobicContact CE1-CD1 4.19Å; Y493-L496 CarbonylContact O-C 3.53Å; Y493-L496 VanDerWaalsContact O-CA 3.3Å; Y493-L496 WeakPolarHBondContact O-CA 3.38Å; Y493-L496 VanDerWaalsContact O-CB 3.28Å; Y493-L496 WeakPolarHBondContact O-CB 3.33Å; Y493-L496 PolarHBondContact O-N 3.13Å; G494-L496 VanDerWaalsContact C-N 3.28Å |
| 497 | W | 34.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 102.2 Ų | 102.2 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | trans | -126.3 | 121.2 | 177 | -53.8 | 88.1 | 0 | 0 | 0 | 109.7 | R417 A465 Y493 T499 | R417-W497 HydrophobicContact CB-CH2 3.95Å; R417-W497 VanDerWaalsContact CD-CZ3 3.41Å; R417-W497 HydrophobicContact CG-CH2 3.69Å; R417-W497 HydrophobicContact CG-CZ3 3.99Å; A465-W497 HydrophobicContact CB-CZ2 4.48Å; Y493-W497 AromaticContact CD1-CD1 3.58Å; Y493-W497 AromaticContact CD1-NE1 3.01Å; Y493-W497 AromaticContact CE1-NE1 3.72Å; Y493-W497 AromaticContact CG-CD1 3.93Å; Y493-W497 AromaticContact CG-NE1 3.57Å; Y493-W497 PolarHBondContact O-N 3.17Å; W497-T499 PolarHBondContact O-N 2.92Å | ||
| 498 | H | 34.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 101 Ų | 101 | 81% | 0.806 | 52% | 0.515 | S | S | * | . | trans | 12 | 97.7 | 171.4 | -66.3 | -71 | 0 | 0 | 0 | 114.1 | ||||
| 499 | T | 34.7 | Very low | 41.5 | Very low | 98.5 Ų | 98.5 | 102.7 Ų | 102.7 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | trans | -29.8 | 140.8 | 142.5 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | W497 E501 N502 | W497-T499 PolarHBondContact O-N 2.92Å; T499-E501 PolarHBondContact O-N 2.69Å; T499-E501 VanDerWaalsContact O-N 3.14Å; T499-N502 PolarHBondContact O-N 3.43Å; T499-N502 PolarHBondContact OG1-ND2 3.46Å | ||
| 500 | E | 38.6 | Very low | 40.7 | Very low | 161 Ų | 161 | 112.5 Ų | 112.5 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -68.1 | -14.6 | -165.8 | -63.7 | -161.4 | 109.4 | 0 | 0 | 116.2 | N502 K503 | E500-N502 VanDerWaalsContact C-N 3.27Å; E500-N502 PolarHBondContact O-N 3.19Å; E500-K503 IonicContact OE1-NZ 3.78Å |
| 501 | E | 39.5 | Very low | 40.2 | Very low | 178.5 Ų | 178.5 | 110.6 Ų | 110.6 | 83% | 0.834 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -78.2 | -24.5 | -169.5 | -65.4 | -174.9 | 146.4 | 0 | 0 | 114.9 | T499 K503 | T499-E501 PolarHBondContact O-N 2.69Å; T499-E501 VanDerWaalsContact O-N 3.14Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 PolarHBondContact O-N 3.11Å |
| 502 | N | 36 | Very low | 40.1 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -90.9 | 39.4 | -175 | -77 | -33.5 | 0 | 0 | 0 | 114.2 | T499 E500 K504 T506 | T499-N502 PolarHBondContact O-N 3.43Å; T499-N502 PolarHBondContact OG1-ND2 3.46Å; E500-N502 VanDerWaalsContact C-N 3.27Å; E500-N502 PolarHBondContact O-N 3.19Å; N502-K504 PolarHBondContact O-N 2.91Å; N502-T506 WeakPolarHBondContact O-CG2 3.41Å |
| 503 | K | 38.9 | Very low | 40.4 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -81.8 | -4.6 | -169.7 | -94.2 | 173.8 | -176.4 | 160.8 | 0 | 116.6 | E500 E501 | E500-K503 IonicContact OE1-NZ 3.78Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 PolarHBondContact O-N 3.11Å |
| 504 | K | 41 | Very low | 41.1 | Very low | 197.5 Ų | 197.5 | 116.6 Ų | 116.6 | 86% | 0.859 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -96.5 | -24.5 | -165.4 | -73.9 | -173.7 | 176 | 178.5 | 0 | 118.2 | N502 | N502-K504 PolarHBondContact O-N 2.91Š|
| 505 | D | 37.6 | Very low | 42 | Very low | 149.5 Ų | 149.5 | 115.9 Ų | 115.9 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -122.8 | 11.1 | -172.2 | -80.5 | -35.4 | 0 | 0 | 0 | 116.6 | S507 | D505-S507 PolarHBondContact O-N 3.31Š|
| 506 | T | 37.6 | Very low | 43.2 | Very low | 87.5 Ų | 87.5 | 115.8 Ų | 115.8 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | trans | -92.4 | 42.6 | -168.5 | 44.5 | 0 | 0 | 0 | 0 | 115.9 | N502 L508 F509 R510 | N502-T506 WeakPolarHBondContact O-CG2 3.41Å; T506-L508 VanDerWaalsContact C-N 3.26Å; T506-L508 PolarHBondContact O-N 2.91Å; T506-F509 PolarHBondContact O-N 3.21Å; T506-R510 PolarHBondContact O-N 3.47Å | ||
| 507 | S | 42.2 | Very low | 44.6 | Very low | 99.5 Ų | 99.5 | 113.3 Ų | 113.3 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -74.4 | -25.2 | -178.9 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | D505 F509 | D505-S507 PolarHBondContact O-N 3.31Å; S507-F509 PolarHBondContact O-N 3.16Å |
| 508 | L | 42.2 | Very low | 46.1 | Very low | 135 Ų | 135 | 109.7 Ų | 109.7 | 71% | 0.707 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -84 | -14.4 | -170.3 | -77.5 | 166.7 | 0 | 0 | 0 | 116.5 | T506 | T506-L508 VanDerWaalsContact C-N 3.26Å; T506-L508 PolarHBondContact O-N 2.91Å |
| 509 | F | 41.3 | Very low | 47.7 | Very low | 47 Ų | 47 | 103.4 Ų | 103.4 | 21% | 0.206 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -129.9 | 25.3 | -168.8 | -63.9 | -81 | 0 | 0 | 0 | 115.4 | L491 L492 T506 S507 S511 L522 | L491-F509 HydrophobicContact CB-CD2 4.04Å; L491-F509 HydrophobicContact CB-CE2 3.83Å; L491-F509 HydrophobicContact CB-CZ 4.16Å; L491-F509 HydrophobicContact CD1-CD2 4.48Å; L491-F509 HydrophobicContact CD1-CE2 3.66Å; L491-F509 HydrophobicContact CD1-CZ 4.12Å; L491-F509 HydrophobicContact CD2-CD2 3.62Å; L491-F509 HydrophobicContact CD2-CE2 3.62Å; L491-F509 HydrophobicContact CG-CD2 4.23Å; L491-F509 HydrophobicContact CG-CE2 3.87Å; L492-F509 HydrophobicContact CD2-CD1 3.73Å; L492-F509 HydrophobicContact CD2-CE1 3.39Å; L492-F509 HydrophobicContact CD2-CZ 4.04Å; T506-F509 PolarHBondContact O-N 3.21Å; S507-F509 PolarHBondContact O-N 3.16Å; F509-S511 PolarHBondContact O-N 3.11Å; F509-L522 HydrophobicContact CD1-CD2 4.1Å; F509-L522 HydrophobicContact CE1-CD2 3.68Å; F509-L522 HydrophobicContact CE1-CG 4.32Å |
| 510 | R | 40.2 | Very low | 49.2 | Very low | 226 Ų | 226 | 99.2 Ų | 99.2 | 85% | 0.853 | 50% | 0.501 | S | S | * | . | trans | -62.4 | -1 | -178.2 | -109.6 | -177.7 | -161.7 | 168.7 | 2.7 | 116 | T506 T512 | T506-R510 PolarHBondContact O-N 3.47Å; R510-T512 VanDerWaalsContact C-N 3.28Å; R510-T512 PolarHBondContact O-N 3.1Å | ||
| 511 | S | 43.8 | Very low | 50.6 | Low | 70.5 Ų | 70.5 | 94.1 Ų | 94.1 | 49% | 0.493 | 48% | 0.476 | S | S | . | . | trans | -97.4 | 90.9 | 176.7 | 64 | 0 | 0 | 0 | 0 | 111.9 | F509 N513 L514 | F509-S511 PolarHBondContact O-N 3.11Å; S511-N513 PolarHBondContact O-N 3.2Å; S511-N513 VanDerWaalsContact O-N 3.09Å; S511-L514 WeakPolarHBondContact OG-CD1 3.4Å | ||
| 512 | T | 46.6 | Very low | 51.9 | Low | 90.5 Ų | 90.5 | 88.3 Ų | 88.3 | 56% | 0.555 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.2 | -175.9 | 44.4 | 0 | 0 | 0 | 0 | 115 | R510 L514 | R510-T512 VanDerWaalsContact C-N 3.28Å; R510-T512 PolarHBondContact O-N 3.1Å; T512-L514 PolarHBondContact O-N 3.04Å |
| 513 | N | 54.6 | Low | 53.3 | Low | 138.5 Ų | 138.5 | 83.7 Ų | 83.7 | 74% | 0.741 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 27.8 | -170.6 | -79.8 | -27 | 0 | 0 | 0 | 115.7 | S511 | S511-N513 PolarHBondContact O-N 3.2Å; S511-N513 VanDerWaalsContact O-N 3.09Å |
| 514 | L | 59.3 | Low | 54.6 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 29% | 0.293 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -81.7 | 134 | 176.8 | -127.6 | 69.9 | 0 | 0 | 0 | 112.2 | S511 T512 D518 K519 | S511-L514 WeakPolarHBondContact OG-CD1 3.4Å; T512-L514 PolarHBondContact O-N 3.04Å; L514-D518 HydrophobicContact CD1-CB 4.09Å; L514-D518 HydrophobicContact CD2-CB 3.9Å; L514-D518 HydrophobicContact CG-CB 3.98Å; L514-K519 HydrophobicContact CB-CG 4.07Å; L514-K519 HydrophobicContact CD2-CG 4.17Å; L514-K519 HydrophobicContact CG-CG 4.46Å; L514-K519 VanDerWaalsContact O-CE 3.31Å; L514-K519 WeakPolarHBondContact O-CE 3.36Å |
| 515 | P | 61.9 | Low | 55.9 | Low | 16.5 Ų | 16.5 | 75.6 Ų | 75.6 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | trans | -56.8 | 149.6 | 171.6 | -23.5 | 33.3 | 0 | 0 | 0 | 112.6 | Y348 L405 L406 T409 M517 D518 K519 | Y348-P515 VanDerWaalsContact OH-CB 3.25Å; Y348-P515 WeakPolarHBondContact OH-CB 3.44Å; L405-P515 HydrophobicContact CB-CB 4.14Å; L405-P515 HydrophobicContact CB-CG 4.37Å; L406-P515 HydrophobicContact CD2-CG 3.89Å; T409-P515 HydrophobicContact CG2-CB 3.84Å; P515-M517 VanDerWaalsContact C-N 3.31Å; P515-M517 PolarHBondContact O-N 3.18Å; P515-M517 VanDerWaalsContact O-N 3.14Å; P515-D518 PolarHBondContact O-N 3.2Å; P515-K519 PolarHBondContact O-N 3.31Å; P515-K519 VanDerWaalsContact O-N 3.1Å | ||
| 516 | L | 66.7 | Low | 57.3 | Low | 43.5 Ų | 43.5 | 71.4 Ų | 71.4 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -47.6 | -45.9 | -179.6 | 179.9 | 62.4 | 0 | 0 | 0 | 113.3 | Y348 T409 M412 I458 L492 D518 K519 I520 | Y348-L516 HydrophobicContact CE2-CB 4.08Å; Y348-L516 PolarHBondContact OH-N 3.37Å; T409-L516 HydrophobicContact CG2-CB 3.82Å; T409-L516 HydrophobicContact CG2-CD1 4.42Å; T409-L516 PolarHBondContact OG1-N 2.78Å; M412-L516 HydrophobicContact CE-CD2 3.93Å; M412-L516 HydrophobicContact SD-CD2 3.74Å; I458-L516 HydrophobicContact CD1-CD2 4.09Å; L492-L516 HydrophobicContact CD2-CD1 3.79Å; L516-D518 VanDerWaalsContact C-N 3.32Å; L516-D518 PolarHBondContact O-N 3.27Å; L516-K519 WeakPolarHBondContact O-CB 3.39Å; L516-K519 PolarHBondContact O-N 2.93Å; L516-I520 HydrophobicContact CD1-CD1 4.18Å; L516-I520 HydrophobicContact CD1-CG1 4.38Å; L516-I520 HydrophobicContact CG-CD1 4.01Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 2.88Å |
| 517 | M | 66.7 | Low | 58.7 | Low | 17.5 Ų | 17.5 | 70.2 Ų | 70.2 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.5 | -33.8 | -178.7 | -126.2 | 2.4 | -127.9 | 0 | 0 | 113.3 | Y348 E352 M412 V454 I458 P515 I520 K521 | Y348-M517 HydrophobicContact CE1-CB 3.78Å; Y348-M517 WeakPolarHBondContact OH-CB 3.18Å; Y348-M517 PolarHBondContact OH-N 3.23Å; E352-M517 WeakPolarHBondContact OE1-CG 3.43Å; M412-M517 HydrophobicContact CE-CG 3.87Å; M412-M517 HydrophobicContact CE-SD 3.9Å; M412-M517 HydrophobicContact SD-CG 4.45Å; M412-M517 HydrophobicContact SD-SD 4.28Å; V454-M517 HydrophobicContact CB-SD 4.49Å; V454-M517 HydrophobicContact CG1-CE 4.35Å; V454-M517 HydrophobicContact CG1-SD 3.73Å; V454-M517 HydrophobicContact CG2-CE 3.88Å; V454-M517 HydrophobicContact CG2-SD 4.01Å; I458-M517 HydrophobicContact CD1-CE 3.82Å; I458-M517 HydrophobicContact CD1-SD 3.71Å; I458-M517 HydrophobicContact CG1-CE 4.49Å; I458-M517 HydrophobicContact CG1-SD 4.1Å; P515-M517 VanDerWaalsContact C-N 3.31Å; P515-M517 PolarHBondContact O-N 3.18Å; P515-M517 VanDerWaalsContact O-N 3.14Å; M517-I520 PolarHBondContact O-N 2.93Å; M517-K521 WeakPolarHBondContact O-CB 3.5Å; M517-K521 VanDerWaalsContact O-CG 3.26Å; M517-K521 WeakPolarHBondContact O-CG 3.23Å; M517-K521 PolarHBondContact O-N 3.03Å |
| 518 | D | 65.9 | Low | 59.9 | Low | 55.5 Ų | 55.5 | 73.9 Ų | 73.9 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.8 | -31.4 | 177.6 | -65.5 | -29.8 | 0 | 0 | 0 | 111.3 | L514 P515 L516 K521 L522 | L514-D518 HydrophobicContact CD1-CB 4.09Å; L514-D518 HydrophobicContact CD2-CB 3.9Å; L514-D518 HydrophobicContact CG-CB 3.98Å; P515-D518 PolarHBondContact O-N 3.2Å; L516-D518 VanDerWaalsContact C-N 3.32Å; L516-D518 PolarHBondContact O-N 3.27Å; D518-K521 PolarHBondContact O-N 3.29Å; D518-K521 IonicContact OD1-NZ 2.85Å; D518-K521 PolarHBondContact OD1-NZ 2.99Å; D518-L522 WeakPolarHBondContact O-CB 3.48Å; D518-L522 PolarHBondContact O-N 3.32Å |
| 519 | K | 66 | Low | 61.1 | Low | 42.5 Ų | 42.5 | 72 Ų | 72 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 167.3 | -65.5 | -179.6 | 175.1 | 177.6 | 0 | 111.4 | S495 L514 P515 L516 K521 L522 I523 | S495-K519 PolarHBondContact OG-NZ 3.22Å; L514-K519 HydrophobicContact CB-CG 4.07Å; L514-K519 HydrophobicContact CD2-CG 4.17Å; L514-K519 HydrophobicContact CG-CG 4.46Å; L514-K519 VanDerWaalsContact O-CE 3.31Å; L514-K519 WeakPolarHBondContact O-CE 3.36Å; P515-K519 PolarHBondContact O-N 3.31Å; P515-K519 VanDerWaalsContact O-N 3.1Å; L516-K519 WeakPolarHBondContact O-CB 3.39Å; L516-K519 PolarHBondContact O-N 2.93Å; K519-K521 PolarHBondContact O-N 2.91Å; K519-L522 WeakPolarHBondContact O-CB 3.42Å; K519-L522 PolarHBondContact O-N 3.21Å; K519-L522 VanDerWaalsContact O-N 3.11Å; K519-I523 WeakPolarHBondContact O-CG1 3.28Å; K519-I523 PolarHBondContact O-N 3.05Å |
| 520 | I | 67 | Low | 62.5 | Low | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.1 | -65.6 | 168.8 | 0 | 0 | 0 | 111.1 | V454 F457 I458 A461 L492 L516 M517 L522 I523 Y524 | V454-I520 HydrophobicContact CG1-CD1 3.96Å; V454-I520 HydrophobicContact CG1-CG2 4.41Å; V454-I520 HydrophobicContact CG2-CG2 4.25Å; F457-I520 HydrophobicContact CB-CG2 3.96Å; F457-I520 HydrophobicContact CD1-CD1 4.34Å; F457-I520 HydrophobicContact CD1-CG1 4.21Å; F457-I520 HydrophobicContact CE1-CG1 4.36Å; I458-I520 HydrophobicContact CD1-CD1 4.03Å; I458-I520 HydrophobicContact CG1-CD1 3.99Å; I458-I520 HydrophobicContact CG1-CG2 4.05Å; A461-I520 HydrophobicContact CB-CD1 4.14Å; L492-I520 HydrophobicContact CD1-CG1 3.86Å; L516-I520 HydrophobicContact CD1-CD1 4.18Å; L516-I520 HydrophobicContact CD1-CG1 4.38Å; L516-I520 HydrophobicContact CG-CD1 4.01Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 2.88Å; M517-I520 PolarHBondContact O-N 2.93Å; I520-L522 VanDerWaalsContact C-N 3.31Å; I520-L522 PolarHBondContact O-N 3.25Å; I520-I523 WeakPolarHBondContact O-CB 3.47Å; I520-I523 PolarHBondContact O-N 3.2Å; I520-Y524 VanDerWaalsContact O-CB 3.3Å; I520-Y524 WeakPolarHBondContact O-CB 3.5Å; I520-Y524 PolarHBondContact O-N 3.28Å |
| 521 | K | 67 | Low | 63.9 | Low | 54.5 Ų | 54.5 | 66.6 Ų | 66.6 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 173.9 | -74.1 | 169.4 | -171.6 | 165.8 | 0 | 112.5 | E352 M517 D518 K519 Y524 K525 | E352-K521 IonicContact OE1-NZ 3.52Å; M517-K521 WeakPolarHBondContact O-CB 3.5Å; M517-K521 VanDerWaalsContact O-CG 3.26Å; M517-K521 WeakPolarHBondContact O-CG 3.23Å; M517-K521 PolarHBondContact O-N 3.03Å; D518-K521 PolarHBondContact O-N 3.29Å; D518-K521 IonicContact OD1-NZ 2.85Å; D518-K521 PolarHBondContact OD1-NZ 2.99Å; K519-K521 PolarHBondContact O-N 2.91Å; K521-Y524 PolarHBondContact O-N 3.48Å; K521-K525 WeakPolarHBondContact O-CB 3.3Å; K521-K525 WeakPolarHBondContact O-CG 3.38Å; K521-K525 PolarHBondContact O-N 3.38Å |
| 522 | L | 66.8 | Low | 65.5 | Low | 57 Ų | 57 | 68 Ų | 68 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 177.7 | -172.3 | 62.7 | 0 | 0 | 0 | 111.3 | F509 D518 K519 I520 Y524 K525 N526 | F509-L522 HydrophobicContact CD1-CD2 4.1Å; F509-L522 HydrophobicContact CE1-CD2 3.68Å; F509-L522 HydrophobicContact CE1-CG 4.32Å; D518-L522 WeakPolarHBondContact O-CB 3.48Å; D518-L522 PolarHBondContact O-N 3.32Å; K519-L522 WeakPolarHBondContact O-CB 3.42Å; K519-L522 PolarHBondContact O-N 3.21Å; K519-L522 VanDerWaalsContact O-N 3.11Å; I520-L522 VanDerWaalsContact C-N 3.31Å; I520-L522 PolarHBondContact O-N 3.25Å; L522-Y524 VanDerWaalsContact C-N 3.32Å; L522-Y524 PolarHBondContact O-N 3.48Å; L522-K525 WeakPolarHBondContact O-CB 3.27Å; L522-K525 PolarHBondContact O-N 3.24Å; L522-N526 WeakPolarHBondContact O-CB 3.34Å; L522-N526 PolarHBondContact O-N 3.01Å |
| 523 | I | 66.8 | Low | 67.2 | Low | 8.5 Ų | 8.5 | 67.9 Ų | 67.9 | 4% | 0.044 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.3 | -50.1 | 172.4 | -69.6 | 170.3 | 0 | 0 | 0 | 110.5 | F457 M488 L492 K519 I520 K525 N526 R527 W530 | F457-I523 HydrophobicContact CD1-CG2 3.97Å; F457-I523 HydrophobicContact CE1-CG2 4.02Å; F457-I523 HydrophobicContact CE2-CG2 4.43Å; F457-I523 HydrophobicContact CZ-CD1 4.35Å; F457-I523 HydrophobicContact CZ-CG2 4.35Å; M488-I523 HydrophobicContact CE-CG2 4.16Å; M488-I523 HydrophobicContact CG-CD1 4.2Å; M488-I523 HydrophobicContact CG-CG1 4.39Å; M488-I523 HydrophobicContact CG-CG2 3.79Å; M488-I523 HydrophobicContact SD-CG2 3.48Å; M488-I523 WeakPolarHBondContact SD-CG2 3.36Å; L492-I523 HydrophobicContact CB-CD1 3.96Å; L492-I523 HydrophobicContact CD1-CD1 3.46Å; L492-I523 HydrophobicContact CD1-CG1 3.63Å; L492-I523 HydrophobicContact CG-CD1 4.04Å; K519-I523 WeakPolarHBondContact O-CG1 3.28Å; K519-I523 PolarHBondContact O-N 3.05Å; I520-I523 WeakPolarHBondContact O-CB 3.47Å; I520-I523 PolarHBondContact O-N 3.2Å; I523-K525 VanDerWaalsContact C-N 3.31Å; I523-K525 PolarHBondContact O-N 3.05Å; I523-N526 CarbonylContact O-C 3.24Å; I523-N526 PolarHBondContact O-N 3.37Å; I523-R527 PolarHBondContact O-N 2.84Å; I523-W530 HydrophobicContact CG2-CH2 4.26Å; I523-W530 HydrophobicContact CG2-CZ2 3.75Å |
| 524 | Y | 66.1 | Low | 68.7 | Low | 28 Ų | 28 | 63.3 Ų | 63.3 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | -179.2 | -174 | -97.1 | 0 | 0 | 0 | 113.2 | L433 F437 N453 V454 F457 I520 K521 L522 N526 R527 | L433-Y524 HydrophobicContact CD2-CE2 3.98Å; F437-Y524 HydrophobicContact CB-CD1 4.25Å; F437-Y524 HydrophobicContact CB-CE1 3.26Å; F437-Y524 VanDerWaalsContact CB-CZ 3.49Å; F437-Y524 WeakPolarHBondContact CB-OH 3.3Å; F437-Y524 HydrophobicContact CD1-CD1 4.1Å; F437-Y524 AromaticContact CD1-CE1 3.94Å; F437-Y524 HydrophobicContact CD1-CE1 3.94Å; F437-Y524 HydrophobicContact CD2-CD1 4.4Å; F437-Y524 AromaticContact CD2-CE1 3.95Å; F437-Y524 HydrophobicContact CD2-CE1 3.95Å; F437-Y524 HydrophobicContact CD2-CE2 4.24Å; F437-Y524 AromaticContact CD2-CZ 3.88Å; F437-Y524 HydrophobicContact CG-CD1 4.03Å; F437-Y524 AromaticContact CG-CE1 3.48Å; F437-Y524 HydrophobicContact CG-CE1 3.48Å; F437-Y524 VanDerWaalsContact CG-CE1 3.48Å; F437-Y524 AromaticContact CG-CZ 3.81Å; N453-Y524 HydrophobicContact CB-CE2 3.72Å; N453-Y524 WeakPolarHBondContact CB-OH 3.46Å; V454-Y524 HydrophobicContact CG2-CD1 3.67Å; V454-Y524 HydrophobicContact CG2-CD2 4.31Å; V454-Y524 HydrophobicContact CG2-CE1 4.15Å; V454-Y524 HydrophobicContact CG2-CG 3.76Å; F457-Y524 HydrophobicContact CD2-CD2 4.1Å; F457-Y524 HydrophobicContact CE1-CD2 4.5Å; F457-Y524 AromaticContact CE2-CD2 3.9Å; F457-Y524 HydrophobicContact CE2-CD2 3.9Å; F457-Y524 HydrophobicContact CE2-CE2 4.34Å; F457-Y524 HydrophobicContact CG-CD2 4.48Å; F457-Y524 HydrophobicContact CZ-CD2 4.11Å; I520-Y524 VanDerWaalsContact O-CB 3.3Å; I520-Y524 WeakPolarHBondContact O-CB 3.5Å; I520-Y524 PolarHBondContact O-N 3.28Å; K521-Y524 PolarHBondContact O-N 3.48Å; L522-Y524 VanDerWaalsContact C-N 3.32Å; L522-Y524 PolarHBondContact O-N 3.48Å; Y524-N526 VanDerWaalsContact C-N 3.27Å; Y524-N526 PolarHBondContact O-N 3.03Å; Y524-R527 VanDerWaalsContact CD1-NH1 3.27Å; Y524-R527 VanDerWaalsContact CZ-CD 3.5Å; Y524-R527 WeakPolarHBondContact O-CB 3.45Å; Y524-R527 WeakPolarHBondContact O-CD 3.34Å; Y524-R527 WeakPolarHBondContact O-CG 3.35Å; Y524-R527 PolarHBondContact O-N 2.81Å; Y524-R527 PolarHBondContact O-NH1 3.2Å; Y524-R527 PolarHBondContact OH-NE 3.2Å |
| 525 | K | 67.4 | Low | 70 | Confident | 155 Ų | 155 | 60.8 Ų | 60.8 | 67% | 0.674 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 173.1 | -81.2 | 177.3 | 177.5 | -177.6 | 0 | 111.6 | K521 L522 I523 R527 | K521-K525 WeakPolarHBondContact O-CB 3.3Å; K521-K525 WeakPolarHBondContact O-CG 3.38Å; K521-K525 PolarHBondContact O-N 3.38Å; L522-K525 WeakPolarHBondContact O-CB 3.27Å; L522-K525 PolarHBondContact O-N 3.24Å; I523-K525 VanDerWaalsContact C-N 3.31Å; I523-K525 PolarHBondContact O-N 3.05Å; K525-R527 VanDerWaalsContact C-N 3.28Å; K525-R527 PolarHBondContact O-N 3.16Å |
| 526 | N | 67.3 | Low | 71.2 | Confident | 61.5 Ų | 61.5 | 62.6 Ų | 62.6 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.8 | 3.1 | -177.9 | -65.3 | -3.2 | 0 | 0 | 0 | 113.3 | L522 I523 Y524 K528 S529 W530 | L522-N526 WeakPolarHBondContact O-CB 3.34Å; L522-N526 PolarHBondContact O-N 3.01Å; I523-N526 CarbonylContact O-C 3.24Å; I523-N526 PolarHBondContact O-N 3.37Å; Y524-N526 VanDerWaalsContact C-N 3.27Å; Y524-N526 PolarHBondContact O-N 3.03Å; N526-K528 PolarHBondContact O-N 3.38Å; N526-S529 PolarHBondContact O-N 2.98Å; N526-S529 VanDerWaalsContact O-N 3.11Å; N526-S529 PolarHBondContact O-OG 3.17Å; N526-W530 PolarHBondContact O-NE1 3.23Å |
| 527 | R | 67.4 | Low | 72.1 | Confident | 62.5 Ų | 62.5 | 64.8 Ų | 64.8 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -52.7 | -27.3 | -175.6 | 76.1 | -173.7 | 179.5 | -78.2 | 2.2 | 115.6 | V476 I523 Y524 K525 S529 W530 | V476-R527 WeakPolarHBondContact CG1-O 2.88Å; I523-R527 PolarHBondContact O-N 2.84Å; Y524-R527 VanDerWaalsContact CD1-NH1 3.27Å; Y524-R527 VanDerWaalsContact CZ-CD 3.5Å; Y524-R527 WeakPolarHBondContact O-CB 3.45Å; Y524-R527 WeakPolarHBondContact O-CD 3.34Å; Y524-R527 WeakPolarHBondContact O-CG 3.35Å; Y524-R527 PolarHBondContact O-N 2.81Å; Y524-R527 PolarHBondContact O-NH1 3.2Å; Y524-R527 PolarHBondContact OH-NE 3.2Å; K525-R527 VanDerWaalsContact C-N 3.28Å; K525-R527 PolarHBondContact O-N 3.16Å; R527-S529 VanDerWaalsContact C-N 3.34Å; R527-S529 PolarHBondContact O-N 2.73Å; R527-W530 VanDerWaalsContact CA-CD1 3.47Å; R527-W530 VanDerWaalsContact CA-CE2 3.42Å; R527-W530 HydrophobicContact CB-CD2 4.02Å; R527-W530 HydrophobicContact CB-CE3 4.15Å; R527-W530 HydrophobicContact CB-CH2 4.13Å; R527-W530 HydrophobicContact CB-CZ2 3.94Å; R527-W530 HydrophobicContact CB-CZ3 4.23Å; R527-W530 WeakPolarHBondContact O-CB 3.4Å; R527-W530 PolarHBondContact O-N 3.17Å |
| 528 | K | 66.9 | Low | 73.1 | Confident | 176 Ų | 176 | 64.7 Ų | 64.7 | 77% | 0.765 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -70.2 | -20.3 | 179.2 | -69.7 | -168.9 | 174.7 | -168.9 | 0 | 114 | N526 W530 | N526-K528 PolarHBondContact O-N 3.38Å; K528-W530 VanDerWaalsContact C-N 3.29Å |
| 529 | S | 67.8 | Low | 74.1 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -96.1 | 9.3 | -177.7 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | N526 R527 | N526-S529 PolarHBondContact O-N 2.98Å; N526-S529 VanDerWaalsContact O-N 3.11Å; N526-S529 PolarHBondContact O-OG 3.17Å; R527-S529 VanDerWaalsContact C-N 3.34Å; R527-S529 PolarHBondContact O-N 2.73Å |
| 530 | W | 69.8 | Low | 75 | Confident | 33 Ų | 33 | 65 Ų | 65 | 13% | 0.125 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -88.8 | 145.1 | 180 | -59.7 | 41.8 | 0 | 0 | 0 | 110.3 | L433 V476 A483 I485 M488 L491 I523 N526 R527 K528 K532 | L433-W530 HydrophobicContact CD1-CZ3 4.37Å; V476-W530 HydrophobicContact CG2-CE3 4.03Å; V476-W530 HydrophobicContact CG2-CZ3 4.25Å; A483-W530 HydrophobicContact CB-CB 4.23Å; A483-W530 HydrophobicContact CB-CD2 4.43Å; A483-W530 HydrophobicContact CB-CE3 3.77Å; I485-W530 HydrophobicContact CD1-CH2 4.24Å; I485-W530 HydrophobicContact CD1-CZ3 4.08Å; M488-W530 HydrophobicContact CB-CE3 4.41Å; M488-W530 HydrophobicContact CB-CH2 4.14Å; M488-W530 HydrophobicContact CB-CZ2 4.5Å; M488-W530 HydrophobicContact CB-CZ3 4.12Å; M488-W530 HydrophobicContact CE-CB 4.33Å; M488-W530 VanDerWaalsContact CE-CD1 3.47Å; M488-W530 HydrophobicContact CE-CD2 3.72Å; M488-W530 HydrophobicContact CE-CE3 4.27Å; M488-W530 HydrophobicContact CE-CG 3.9Å; M488-W530 HydrophobicContact CE-CH2 3.83Å; M488-W530 HydrophobicContact CE-CZ2 3.16Å; M488-W530 HydrophobicContact CE-CZ3 4.34Å; M488-W530 HydrophobicContact CG-CD2 3.85Å; M488-W530 HydrophobicContact CG-CE3 3.8Å; M488-W530 HydrophobicContact CG-CG 4.46Å; M488-W530 HydrophobicContact CG-CH2 4.23Å; M488-W530 HydrophobicContact CG-CZ2 4.3Å; M488-W530 HydrophobicContact CG-CZ3 4Å; M488-W530 HydrophobicContact SD-CH2 3.84Å; M488-W530 HydrophobicContact SD-CZ2 3.44Å; M488-W530 WeakPolarHBondContact SD-CZ2 3.46Å; L491-W530 HydrophobicContact CB-CH2 4.34Å; L491-W530 HydrophobicContact CB-CZ3 3.73Å; L491-W530 HydrophobicContact CD1-CE3 3.93Å; L491-W530 HydrophobicContact CD1-CZ3 3.63Å; L491-W530 HydrophobicContact CG-CZ3 4.33Å; I523-W530 HydrophobicContact CG2-CH2 4.26Å; I523-W530 HydrophobicContact CG2-CZ2 3.75Å; N526-W530 PolarHBondContact O-NE1 3.23Å; R527-W530 VanDerWaalsContact CA-CD1 3.47Å; R527-W530 VanDerWaalsContact CA-CE2 3.42Å; R527-W530 HydrophobicContact CB-CD2 4.02Å; R527-W530 HydrophobicContact CB-CE3 4.15Å; R527-W530 HydrophobicContact CB-CH2 4.13Å; R527-W530 HydrophobicContact CB-CZ2 3.94Å; R527-W530 HydrophobicContact CB-CZ3 4.23Å; R527-W530 WeakPolarHBondContact O-CB 3.4Å; R527-W530 PolarHBondContact O-N 3.17Å; K528-W530 VanDerWaalsContact C-N 3.29Å; W530-K532 WeakPolarHBondContact O-CG 3.23Å; W530-K532 PolarHBondContact O-N 3.39Å |
| 531 | E | 70.7 | Confident | 75.9 | Confident | 125 Ų | 125 | 71.6 Ų | 71.6 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | trans | -61.4 | 125.2 | 168.3 | -67.9 | 176.9 | 151.2 | 0 | 0 | 109.4 | R487 Y533 | R487-E531 IonicContact CZ-OE2 3.12Å; R487-E531 IonicContact NE-OE2 3.78Å; R487-E531 PolarHBondContact NE-OE2 3.44Å; R487-E531 IonicContact NH2-OE1 3.38Å; R487-E531 PolarHBondContact NH2-OE1 3.35Å; R487-E531 IonicContact NH2-OE2 2.7Å; R487-E531 PolarHBondContact NH2-OE2 2.83Å; E531-Y533 HydrophobicContact CB-CE2 4.15Å; E531-Y533 PolarHBondContact OE2-OH 3.3Å | ||
| 532 | K | 77.1 | Confident | 76.9 | Confident | 101 Ų | 101 | 70 Ų | 70 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | trans | -104.9 | 134.9 | -176.2 | -67.5 | -175.3 | -179.4 | -169 | 0 | 109.7 | V476 D477 N481 W530 | V476-K532 HydrophobicContact CG1-CD 4.38Å; V476-K532 HydrophobicContact CG1-CG 4.31Å; D477-K532 WeakPolarHBondContact OD2-CD 3.48Å; D477-K532 VanDerWaalsContact OD2-CE 3.23Å; D477-K532 WeakPolarHBondContact OD2-CE 3.46Å; D477-K532 IonicContact OD2-NZ 2.81Å; D477-K532 PolarHBondContact OD2-NZ 3.08Å; N481-K532 HydrophobicContact CB-CB 4.09Å; N481-K532 HydrophobicContact CB-CD 4.24Å; N481-K532 HydrophobicContact CB-CG 4.3Å; W530-K532 WeakPolarHBondContact O-CG 3.23Å; W530-K532 PolarHBondContact O-N 3.39Å | ||
| 533 | Y | 83.2 | Confident | 77.7 | Confident | 87.5 Ų | 87.5 | 69.3 Ų | 69.3 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.8 | 172.5 | -57.4 | -79.3 | 0 | 0 | 0 | 109.3 | N481 V482 R487 E531 L535 I538 | N481-Y533 CarbonylContact C-O 3.55Å; N481-Y533 WeakPolarHBondContact CA-O 3.5Å; V482-Y533 PolarHBondContact N-O 2.89Å; V482-Y533 PolarHBondContact O-N 3.4Å; V482-Y533 VanDerWaalsContact O-N 3.14Å; R487-Y533 VanDerWaalsContact CZ-OH 3.26Å; R487-Y533 PolarHBondContact NH1-OH 2.94Å; R487-Y533 PolarHBondContact NH2-OH 2.96Å; E531-Y533 HydrophobicContact CB-CE2 4.15Å; E531-Y533 PolarHBondContact OE2-OH 3.3Å; Y533-L535 PolarHBondContact O-N 2.88Å; Y533-I538 HydrophobicContact CG-CD1 4.44Å |
| 534 | S | 85.7 | Confident | 78.3 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 132 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | S536 L537 I538 | S534-S536 VanDerWaalsContact C-N 3.27Å; S534-S536 PolarHBondContact O-N 3.24Å; S534-S536 PolarHBondContact OG-N 3.48Å; S534-S536 PolarHBondContact OG-OG 3.04Å; S534-L537 PolarHBondContact O-N 3.15Å; S534-I538 PolarHBondContact O-N 3.06Å |
| 535 | L | 86.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 2% | 0.016 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 175.4 | -177.3 | 107.2 | 0 | 0 | 0 | 111.5 | I430 V475 Y480 V482 Y533 L537 I538 L539 P559 S561 | I430-L535 HydrophobicContact CD1-CD1 4.11Å; I430-L535 HydrophobicContact CG2-CD1 4.3Å; V475-L535 HydrophobicContact CG2-CD1 3.86Å; Y480-L535 VanDerWaalsContact O-CB 3.24Å; Y480-L535 WeakPolarHBondContact O-CB 3.44Å; Y480-L535 PolarHBondContact O-N 3.03Å; V482-L535 HydrophobicContact CB-CB 4.44Å; V482-L535 HydrophobicContact CG1-CB 4.22Å; V482-L535 HydrophobicContact CG1-CD1 4.26Å; V482-L535 HydrophobicContact CG2-CB 3.99Å; V482-L535 HydrophobicContact CG2-CD1 4Å; V482-L535 HydrophobicContact CG2-CG 3.81Å; Y533-L535 PolarHBondContact O-N 2.88Å; L535-L537 VanDerWaalsContact C-N 3.35Å; L535-L537 PolarHBondContact O-N 3.14Å; L535-I538 PolarHBondContact O-N 3.35Å; L535-L539 HydrophobicContact CD1-CD1 3.92Å; L535-L539 HydrophobicContact CD1-CD2 4.41Å; L535-L539 HydrophobicContact CD1-CG 3.99Å; L535-L539 HydrophobicContact CD2-CD1 3.27Å; L535-L539 HydrophobicContact CD2-CG 3.86Å; L535-L539 HydrophobicContact CG-CD1 4.11Å; L535-L539 HydrophobicContact CG-CG 4.36Å; L535-L539 VanDerWaalsContact O-CG 3.32Å; L535-L539 WeakPolarHBondContact O-CG 3.31Å; L535-L539 PolarHBondContact O-N 3.4Å; L535-P559 HydrophobicContact CD1-CB 4.45Å; L535-P559 HydrophobicContact CD1-CG 4.1Å; L535-P559 HydrophobicContact CD2-CB 4.21Å; L535-P559 HydrophobicContact CD2-CG 3.93Å; L535-S561 VanDerWaalsContact CD2-OG 3.28Å; L535-S561 WeakPolarHBondContact CD2-OG 3.38Å |
| 536 | S | 85.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 177.8 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | S534 I538 L539 D540 | S534-S536 VanDerWaalsContact C-N 3.27Å; S534-S536 PolarHBondContact O-N 3.24Å; S534-S536 PolarHBondContact OG-N 3.48Å; S534-S536 PolarHBondContact OG-OG 3.04Å; S536-I538 VanDerWaalsContact C-N 3.31Å; S536-I538 PolarHBondContact O-N 3.35Å; S536-I538 VanDerWaalsContact O-N 3.16Å; S536-L539 PolarHBondContact O-N 3.17Å; S536-D540 WeakPolarHBondContact O-CB 3.29Å; S536-D540 PolarHBondContact O-N 3.22Å |
| 537 | L | 86.5 | Confident | 80.5 | Confident | 88.5 Ų | 88.5 | 81.7 Ų | 81.7 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 179.8 | -168 | 78.9 | 0 | 0 | 0 | 112.6 | S534 L535 R541 | S534-L537 PolarHBondContact O-N 3.15Å; L535-L537 VanDerWaalsContact C-N 3.35Å; L535-L537 PolarHBondContact O-N 3.14Å; L537-R541 VanDerWaalsContact O-CG 3.3Å; L537-R541 WeakPolarHBondContact O-CG 3.27Å; L537-R541 PolarHBondContact O-N 3.14Å; L537-R541 VanDerWaalsContact O-N 3.16Å |
| 538 | I | 86.7 | Confident | 81.3 | Confident | 15.5 Ų | 15.5 | 85.5 Ų | 85.5 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.2 | -45.2 | 175.7 | -72 | 164.8 | 0 | 0 | 0 | 110.9 | Y473 V482 Y533 S534 L535 S536 D540 R541 F542 | Y473-I538 HydrophobicContact CD1-CD1 4.31Å; Y473-I538 HydrophobicContact CE1-CD1 3.79Å; Y473-I538 HydrophobicContact CE1-CG2 4.44Å; Y473-I538 HydrophobicContact CE2-CG2 3.89Å; V482-I538 HydrophobicContact CB-CD1 4.08Å; V482-I538 HydrophobicContact CG1-CD1 3.83Å; V482-I538 HydrophobicContact CG2-CD1 3.39Å; Y533-I538 HydrophobicContact CG-CD1 4.44Å; S534-I538 PolarHBondContact O-N 3.06Å; L535-I538 PolarHBondContact O-N 3.35Å; S536-I538 VanDerWaalsContact C-N 3.31Å; S536-I538 PolarHBondContact O-N 3.35Å; S536-I538 VanDerWaalsContact O-N 3.16Å; I538-D540 VanDerWaalsContact C-N 3.35Å; I538-R541 WeakPolarHBondContact O-CB 3.41Å; I538-R541 PolarHBondContact O-N 2.83Å; I538-F542 HydrophobicContact CG2-CD2 4.09Å; I538-F542 HydrophobicContact CG2-CE1 4.38Å; I538-F542 HydrophobicContact CG2-CE2 3.56Å; I538-F542 HydrophobicContact CG2-CZ 3.77Å; I538-F542 WeakPolarHBondContact O-CG 3.37Å; I538-F542 PolarHBondContact O-N 3.18Å |
| 539 | L | 88.9 | Confident | 82.3 | Confident | 5.5 Ų | 5.5 | 77.2 Ų | 77.2 | 3% | 0.029 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 178.8 | -65.1 | 178.4 | 0 | 0 | 0 | 111.6 | L428 L535 S536 R541 F542 S543 S561 I562 Y565 | L428-L539 HydrophobicContact CD2-CD2 4.07Å; L535-L539 HydrophobicContact CD1-CD1 3.92Å; L535-L539 HydrophobicContact CD1-CD2 4.41Å; L535-L539 HydrophobicContact CD1-CG 3.99Å; L535-L539 HydrophobicContact CD2-CD1 3.27Å; L535-L539 HydrophobicContact CD2-CG 3.86Å; L535-L539 HydrophobicContact CG-CD1 4.11Å; L535-L539 HydrophobicContact CG-CG 4.36Å; L535-L539 VanDerWaalsContact O-CG 3.32Å; L535-L539 WeakPolarHBondContact O-CG 3.31Å; L535-L539 PolarHBondContact O-N 3.4Å; S536-L539 PolarHBondContact O-N 3.17Å; L539-R541 VanDerWaalsContact C-N 3.32Å; L539-R541 PolarHBondContact O-N 3.3Å; L539-F542 HydrophobicContact CD2-CD2 4.22Å; L539-F542 PolarHBondContact O-N 3.21Å; L539-F542 VanDerWaalsContact O-N 3.11Å; L539-S543 WeakPolarHBondContact O-CB 3.5Å; L539-S543 PolarHBondContact O-N 3.15Å; L539-S543 PolarHBondContact O-OG 3.14Å; L539-S561 WeakPolarHBondContact CD1-O 3.35Å; L539-I562 HydrophobicContact CD1-CB 4.34Å; L539-I562 HydrophobicContact CD1-CD1 3.78Å; L539-I562 HydrophobicContact CD2-CD1 3.74Å; L539-I562 HydrophobicContact CG-CD1 4.44Å; L539-Y565 HydrophobicContact CB-CD2 3.87Å; L539-Y565 HydrophobicContact CB-CE2 4.33Å; L539-Y565 HydrophobicContact CB-CG 4.17Å; L539-Y565 HydrophobicContact CD1-CD2 4.45Å; L539-Y565 HydrophobicContact CD1-CG 4.22Å; L539-Y565 HydrophobicContact CD2-CD1 4.02Å; L539-Y565 HydrophobicContact CD2-CD2 4.13Å; L539-Y565 HydrophobicContact CD2-CE1 4.3Å; L539-Y565 HydrophobicContact CD2-CE2 4.3Å; L539-Y565 HydrophobicContact CD2-CG 3.92Å; L539-Y565 HydrophobicContact CG-CD2 4.32Å; L539-Y565 HydrophobicContact CG-CG 4.32Å |
| 540 | D | 84.8 | Confident | 83.1 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 173 | -66.6 | -26.7 | 0 | 0 | 0 | 110.9 | S536 I538 S543 A544 | S536-D540 WeakPolarHBondContact O-CB 3.29Å; S536-D540 PolarHBondContact O-N 3.22Å; I538-D540 VanDerWaalsContact C-N 3.35Å; D540-S543 WeakPolarHBondContact O-CB 3.45Å; D540-S543 PolarHBondContact O-N 3.09Å; D540-A544 VanDerWaalsContact O-CB 3.29Å; D540-A544 WeakPolarHBondContact O-CB 3.3Å; D540-A544 PolarHBondContact O-N 3.37Å |
| 541 | R | 85.1 | Confident | 84 | Confident | 148 Ų | 148 | 75.2 Ų | 75.2 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 171.9 | -78.8 | 177.9 | 178.5 | -170.5 | -0.3 | 112.2 | L537 I538 L539 S543 A544 F545 | L537-R541 VanDerWaalsContact O-CG 3.3Å; L537-R541 WeakPolarHBondContact O-CG 3.27Å; L537-R541 PolarHBondContact O-N 3.14Å; L537-R541 VanDerWaalsContact O-N 3.16Å; I538-R541 WeakPolarHBondContact O-CB 3.41Å; I538-R541 PolarHBondContact O-N 2.83Å; L539-R541 VanDerWaalsContact C-N 3.32Å; L539-R541 PolarHBondContact O-N 3.3Å; R541-S543 VanDerWaalsContact C-N 3.28Å; R541-S543 PolarHBondContact O-N 3.24Å; R541-A544 PolarHBondContact O-N 3.26Å; R541-F545 HydrophobicContact CB-CD2 4.33Å; R541-F545 HydrophobicContact CB-CE2 4.41Å; R541-F545 HydrophobicContact CG-CE2 4.48Å; R541-F545 WeakPolarHBondContact O-CB 3.43Å; R541-F545 WeakPolarHBondContact O-CD2 3.35Å; R541-F545 PolarHBondContact O-N 3.11Å |
| 542 | F | 87.3 | Confident | 85 | Confident | 21.5 Ų | 21.5 | 69.3 Ų | 69.3 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.3 | -67.3 | -26.9 | 0 | 0 | 0 | 112.4 | L428 V471 Y473 I538 L539 R546 K547 F549 Y565 | L428-F542 HydrophobicContact CD1-CE2 3.98Å; V471-F542 HydrophobicContact CG1-CE2 4.43Å; V471-F542 HydrophobicContact CG1-CZ 4.06Å; Y473-F542 AromaticContact CE2-CE2 3.71Å; Y473-F542 HydrophobicContact CE2-CE2 3.88Å; Y473-F542 AromaticContact CE2-CZ 3.74Å; Y473-F542 HydrophobicContact CE2-CZ 3.74Å; I538-F542 HydrophobicContact CG2-CD2 4.09Å; I538-F542 HydrophobicContact CG2-CE1 4.38Å; I538-F542 HydrophobicContact CG2-CE2 3.56Å; I538-F542 HydrophobicContact CG2-CZ 3.77Å; I538-F542 WeakPolarHBondContact O-CG 3.37Å; I538-F542 PolarHBondContact O-N 3.18Å; L539-F542 HydrophobicContact CD2-CD2 4.22Å; L539-F542 PolarHBondContact O-N 3.21Å; L539-F542 VanDerWaalsContact O-N 3.11Å; F542-R546 WeakPolarHBondContact O-CA 3.27Å; F542-R546 PolarHBondContact O-N 3.24Å; F542-K547 HydrophobicContact CB-CB 4.33Å; F542-K547 HydrophobicContact CD1-CB 4.23Å; F542-K547 HydrophobicContact CD1-CD 3.89Å; F542-K547 HydrophobicContact CE1-CD 3.96Å; F542-K547 PolarHBondContact O-N 3.14Å; F542-F549 AromaticContact CD2-CE2 3.91Å; F542-F549 HydrophobicContact CD2-CE2 3.91Å; F542-F549 HydrophobicContact CD2-CZ 4.29Å; F542-F549 HydrophobicContact CE2-CE2 4.23Å; F542-F549 HydrophobicContact CE2-CZ 4.15Å; F542-F549 HydrophobicContact CG-CE2 4.16Å; F542-F549 HydrophobicContact CZ-CZ 4.37Å; F542-Y565 HydrophobicContact CB-CE2 4.2Å |
| 543 | S | 83.2 | Confident | 85.6 | Confident | 42.5 Ų | 42.5 | 64.5 Ų | 64.5 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | L539 D540 R541 F545 R546 Y565 | L539-S543 WeakPolarHBondContact O-CB 3.5Å; L539-S543 PolarHBondContact O-N 3.15Å; L539-S543 PolarHBondContact O-OG 3.14Å; D540-S543 WeakPolarHBondContact O-CB 3.45Å; D540-S543 PolarHBondContact O-N 3.09Å; R541-S543 VanDerWaalsContact C-N 3.28Å; R541-S543 PolarHBondContact O-N 3.24Å; S543-F545 PolarHBondContact O-N 2.91Å; S543-R546 PolarHBondContact O-N 3.22Å; S543-R546 VanDerWaalsContact O-N 3.16Å; S543-Y565 WeakPolarHBondContact OG-CE2 3.25Å |
| 544 | A | 81.2 | Confident | 85.9 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D540 R541 R546 | D540-A544 VanDerWaalsContact O-CB 3.29Å; D540-A544 WeakPolarHBondContact O-CB 3.3Å; D540-A544 PolarHBondContact O-N 3.37Å; R541-A544 PolarHBondContact O-N 3.26Å; A544-R546 VanDerWaalsContact C-N 3.31Å |
| 545 | F | 81.9 | Confident | 86 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 73% | 0.732 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.2 | 176.1 | -69 | -63.6 | 0 | 0 | 0 | 113.8 | R541 S543 K547 | R541-F545 HydrophobicContact CB-CD2 4.33Å; R541-F545 HydrophobicContact CB-CE2 4.41Å; R541-F545 HydrophobicContact CG-CE2 4.48Å; R541-F545 WeakPolarHBondContact O-CB 3.43Å; R541-F545 WeakPolarHBondContact O-CD2 3.35Å; R541-F545 PolarHBondContact O-N 3.11Å; S543-F545 PolarHBondContact O-N 2.91Å; F545-K547 PolarHBondContact O-N 2.89Å |
| 546 | R | 81.6 | Confident | 85.9 | Confident | 186 Ų | 186 | 58.1 Ų | 58.1 | 70% | 0.702 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 45.3 | -173.6 | -63.8 | -173.6 | 172.4 | -165.9 | -3.5 | 112.7 | F542 S543 A544 E548 | F542-R546 WeakPolarHBondContact O-CA 3.27Å; F542-R546 PolarHBondContact O-N 3.24Å; S543-R546 PolarHBondContact O-N 3.22Å; S543-R546 VanDerWaalsContact O-N 3.16Å; A544-R546 VanDerWaalsContact C-N 3.31Å; R546-E548 PolarHBondContact O-N 3.26Å |
| 547 | K | 82.9 | Confident | 85.7 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | trans | -70.5 | 115.4 | 178.3 | -176.7 | 168.5 | -178.1 | 167 | 0 | 109.4 | F542 F545 F549 | F542-K547 HydrophobicContact CB-CB 4.33Å; F542-K547 HydrophobicContact CD1-CB 4.23Å; F542-K547 HydrophobicContact CD1-CD 3.89Å; F542-K547 HydrophobicContact CE1-CD 3.96Å; F542-K547 PolarHBondContact O-N 3.14Å; F545-K547 PolarHBondContact O-N 2.89Å; K547-F549 HydrophobicContact CB-CE2 4.37Å; K547-F549 HydrophobicContact CD-CE1 4.42Å; K547-F549 HydrophobicContact CD-CE2 4.03Å; K547-F549 HydrophobicContact CD-CZ 3.73Å; K547-F549 HydrophobicContact CG-CD2 4.47Å; K547-F549 HydrophobicContact CG-CE2 3.89Å; K547-F549 HydrophobicContact CG-CZ 4.02Å | ||
| 548 | E | 84 | Confident | 85.6 | Confident | 140.5 Ų | 140.5 | 52.1 Ų | 52.1 | 66% | 0.657 | 25% | 0.25 | S | S | * | . | trans | -77.9 | 139.3 | -179.3 | -67.3 | 174.4 | 177.9 | 0 | 0 | 111.8 | R546 Y569 I573 | R546-E548 PolarHBondContact O-N 3.26Å; E548-Y569 VanDerWaalsContact CA-OH 3.28Å; E548-Y569 WeakPolarHBondContact CA-OH 3.33Å; E548-I573 HydrophobicContact CG-CG2 4.37Å | ||
| 549 | F | 87 | Confident | 85.4 | Confident | 3.5 Ų | 3.5 | 51.4 Ų | 51.4 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | trans | -138.1 | 131.5 | 173.8 | -68.1 | -75.6 | 0 | 0 | 0 | 109.1 | S426 L428 V471 F542 K547 Y565 Y569 I576 | S426-F549 WeakPolarHBondContact OG-CA 3.3Å; L428-F549 HydrophobicContact CB-CD1 3.81Å; L428-F549 HydrophobicContact CB-CD2 4.26Å; L428-F549 HydrophobicContact CB-CE1 3.88Å; L428-F549 HydrophobicContact CB-CE2 4.33Å; L428-F549 HydrophobicContact CB-CG 3.99Å; L428-F549 HydrophobicContact CB-CZ 4.13Å; L428-F549 HydrophobicContact CD1-CE1 4.43Å; L428-F549 HydrophobicContact CD1-CE2 4.49Å; L428-F549 HydrophobicContact CD1-CZ 4.1Å; L428-F549 HydrophobicContact CD2-CD2 4.44Å; L428-F549 HydrophobicContact CD2-CE2 4.3Å; L428-F549 HydrophobicContact CG-CZ 4.46Å; V471-F549 HydrophobicContact CB-CE1 3.93Å; V471-F549 HydrophobicContact CB-CZ 4.2Å; V471-F549 HydrophobicContact CG1-CZ 4.46Å; V471-F549 HydrophobicContact CG2-CE1 3.71Å; V471-F549 HydrophobicContact CG2-CZ 4.04Å; F542-F549 AromaticContact CD2-CE2 3.91Å; F542-F549 HydrophobicContact CD2-CE2 3.91Å; F542-F549 HydrophobicContact CD2-CZ 4.29Å; F542-F549 HydrophobicContact CE2-CE2 4.23Å; F542-F549 HydrophobicContact CE2-CZ 4.15Å; F542-F549 HydrophobicContact CG-CE2 4.16Å; F542-F549 HydrophobicContact CZ-CZ 4.37Å; K547-F549 HydrophobicContact CB-CE2 4.37Å; K547-F549 HydrophobicContact CD-CE1 4.42Å; K547-F549 HydrophobicContact CD-CE2 4.03Å; K547-F549 HydrophobicContact CD-CZ 3.73Å; K547-F549 HydrophobicContact CG-CD2 4.47Å; K547-F549 HydrophobicContact CG-CE2 3.89Å; K547-F549 HydrophobicContact CG-CZ 4.02Å; F549-Y565 WeakPolarHBondContact CD2-OH 3.48Å; F549-Y569 PolarHBondContact N-OH 2.88Å; F549-Y569 PolarHBondContact O-OH 3.24Å; F549-I576 HydrophobicContact CB-CD1 3.94Å; F549-I576 VanDerWaalsContact O-CD1 3.26Å; F549-I576 WeakPolarHBondContact O-CD1 3.48Å; F549-I576 WeakPolarHBondContact O-CG1 3.42Å | ||
| 550 | D | 86.1 | Confident | 85.2 | Confident | 76.5 Ų | 76.5 | 54 Ų | 54 | 41% | 0.409 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76 | -38.4 | 177.7 | -54.1 | -59.7 | 0 | 0 | 0 | 111.1 | C425 S426 K577 | C425-D550 HydrophobicContact CB-CB 3.91Å; C425-D550 WeakPolarHBondContact CB-OD2 3.38Å; S426-D550 WeakPolarHBondContact CA-OD2 3.44Å; S426-D550 WeakPolarHBondContact CB-OD2 3.43Å; S426-D550 PolarHBondContact N-OD2 3.05Å; S426-D550 PolarHBondContact O-N 3.35Å; S426-D550 VanDerWaalsContact O-N 3.11Å; S426-D550 VanDerWaalsContact OG-CG 3.26Å; S426-D550 PolarHBondContact OG-N 3.2Å; S426-D550 PolarHBondContact OG-OD2 3.16Å; D550-K577 PolarHBondContact O-N 2.83Å |
| 551 | K | 88.3 | Confident | 85.2 | Confident | 11.5 Ų | 11.5 | 50.8 Ų | 50.8 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.6 | -176 | -50.4 | -172.7 | -174.3 | -179.4 | 0 | 112.1 | S426 V427 L428 K577 L612 L614 | S426-K551 PolarHBondContact O-N 3.13Å; V427-K551 WeakPolarHBondContact CA-O 3.25Å; V427-K551 HydrophobicContact CG1-CB 4.4Å; V427-K551 HydrophobicContact CG2-CB 4.34Å; L428-K551 PolarHBondContact N-O 3.4Å; K551-K577 CarbonylContact C-O 3.09Å; K551-K577 WeakPolarHBondContact CA-O 3.25Å; K551-K577 HydrophobicContact CG-CB 4.32Å; K551-L612 HydrophobicContact CB-CD2 4.48Å; K551-L612 HydrophobicContact CD-CD2 4.04Å; K551-L612 PolarHBondContact NZ-O 2.94Å; K551-L614 PolarHBondContact NZ-O 3.33Å |
| 552 | V | 91 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.8 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | L428 I562 V566 I576 K577 A578 I579 W598 | L428-V552 HydrophobicContact CB-CG2 4.21Å; L428-V552 HydrophobicContact CD2-CG2 4.36Å; L428-V552 WeakPolarHBondContact O-CA 3.3Å; V552-I562 HydrophobicContact CG1-CD1 4.2Å; V552-I562 HydrophobicContact CG1-CG1 4.05Å; V552-V566 HydrophobicContact CB-CG2 4.39Å; V552-V566 HydrophobicContact CG1-CG2 4.31Å; V552-V566 HydrophobicContact CG2-CG2 4.3Å; V552-I576 HydrophobicContact CB-CD1 4.47Å; V552-I576 HydrophobicContact CG2-CD1 3.4Å; V552-I576 VanDerWaalsContact CG2-CD1 3.45Å; V552-I576 HydrophobicContact CG2-CG1 4.01Å; V552-K577 PolarHBondContact N-O 3.15Å; V552-A578 WeakPolarHBondContact O-CA 3.31Å; V552-I579 PolarHBondContact O-N 3.02Å; V552-W598 HydrophobicContact CG1-CH2 4.3Å |
| 553 | I | 90.2 | Very high | 85.2 | Confident | 0.5 Ų | 0.5 | 42.7 Ų | 42.7 | 0% | 0.003 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.4 | 175.6 | -82 | 173.3 | 0 | 0 | 0 | 110.9 | V427 L428 V429 I430 F555 I579 V608 L612 | V427-I553 HydrophobicContact CG1-CD1 3.44Å; V427-I553 VanDerWaalsContact CG1-CD1 3.44Å; V427-I553 HydrophobicContact CG1-CG1 4.02Å; L428-I553 PolarHBondContact O-N 3.23Å; V429-I553 WeakPolarHBondContact CA-O 3.06Å; V429-I553 HydrophobicContact CB-CG2 4.32Å; V429-I553 HydrophobicContact CG1-CG2 3.88Å; V429-I553 HydrophobicContact CG2-CD1 4.43Å; V429-I553 HydrophobicContact CG2-CG2 4.2Å; I430-I553 PolarHBondContact N-O 3.15Å; I553-F555 HydrophobicContact CD1-CE1 4.14Å; I553-F555 HydrophobicContact CD1-CZ 3.87Å; I553-F555 HydrophobicContact CG2-CD1 4.29Å; I553-F555 HydrophobicContact CG2-CD2 3.97Å; I553-F555 HydrophobicContact CG2-CE1 4.01Å; I553-F555 HydrophobicContact CG2-CE2 3.56Å; I553-F555 HydrophobicContact CG2-CG 4.39Å; I553-F555 HydrophobicContact CG2-CZ 3.58Å; I553-I579 CarbonylContact C-O 3.55Å; I553-I579 WeakPolarHBondContact CA-O 3.42Å; I553-I579 HydrophobicContact CD1-CB 4.46Å; I553-I579 HydrophobicContact CD1-CG2 4.33Å; I553-I579 HydrophobicContact CG1-CB 4.09Å; I553-I579 HydrophobicContact CG1-CD1 4.38Å; I553-I579 HydrophobicContact CG1-CG2 4Å; I553-V608 HydrophobicContact CD1-CG1 3.86Å; I553-L612 HydrophobicContact CD1-CD1 3.36Å; I553-L612 VanDerWaalsContact CD1-CD1 3.48Å; I553-L612 HydrophobicContact CD1-CD2 3.52Å; I553-L612 VanDerWaalsContact CD1-CD2 3.42Å; I553-L612 HydrophobicContact CD1-CG 3.89Å; I553-L612 HydrophobicContact CG1-CD1 4.13Å; I553-L612 HydrophobicContact CG1-CD2 3.95Å |
| 554 | V | 90 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.7 | 171.8 | -174 | 0 | 0 | 0 | 0 | 109.7 | I430 C558 I562 I579 N581 W598 | I430-V554 HydrophobicContact CB-CG2 4.37Å; I430-V554 CarbonylContact O-C 3.59Å; I430-V554 WeakPolarHBondContact O-CA 3.22Å; V554-C558 HydrophobicContact CG1-CB 4.34Å; V554-I562 HydrophobicContact CG2-CG1 4.32Å; V554-I562 HydrophobicContact CG2-CG2 3.93Å; V554-I579 PolarHBondContact N-O 2.82Å; V554-N581 PolarHBondContact O-N 3.08Å; V554-W598 HydrophobicContact CG2-CH2 4.09Å; V554-W598 HydrophobicContact CG2-CZ3 3.97Å |
| 555 | F | 88 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.6 | 174.2 | -64.7 | -64.9 | 0 | 0 | 0 | 110.4 | V429 I430 S432 S456 Y459 I553 N581 L583 V608 F609 | V429-F555 HydrophobicContact CG1-CD2 3.88Å; V429-F555 HydrophobicContact CG1-CE2 3.73Å; I430-F555 PolarHBondContact O-N 3.2Å; S432-F555 WeakPolarHBondContact CA-O 3.15Å; S432-F555 WeakPolarHBondContact CB-O 2.94Å; S432-F555 PolarHBondContact N-O 3.25Å; S456-F555 PolarHBondContact OG-O 3.17Å; Y459-F555 AromaticContact CD1-CD1 3.83Å; Y459-F555 HydrophobicContact CD1-CD1 3.83Å; Y459-F555 AromaticContact CD1-CE1 3.54Å; Y459-F555 HydrophobicContact CD1-CE1 3.54Å; Y459-F555 HydrophobicContact CD1-CZ 4.19Å; Y459-F555 AromaticContact CD2-CD1 3.84Å; Y459-F555 HydrophobicContact CD2-CD1 3.84Å; Y459-F555 AromaticContact CD2-CE1 3.65Å; Y459-F555 HydrophobicContact CD2-CE1 3.65Å; Y459-F555 HydrophobicContact CD2-CZ 4.28Å; Y459-F555 HydrophobicContact CG-CD1 4.2Å; Y459-F555 HydrophobicContact CG-CE1 4.25Å; I553-F555 HydrophobicContact CD1-CE1 4.14Å; I553-F555 HydrophobicContact CD1-CZ 3.87Å; I553-F555 HydrophobicContact CG2-CD1 4.29Å; I553-F555 HydrophobicContact CG2-CD2 3.97Å; I553-F555 HydrophobicContact CG2-CE1 4.01Å; I553-F555 HydrophobicContact CG2-CE2 3.56Å; I553-F555 HydrophobicContact CG2-CG 4.39Å; I553-F555 HydrophobicContact CG2-CZ 3.58Å; F555-N581 HydrophobicContact CD1-CB 3.73Å; F555-N581 HydrophobicContact CE1-CB 4.1Å; F555-L583 HydrophobicContact CB-CD1 4.29Å; F555-V608 HydrophobicContact CE1-CG1 4.47Å; F555-F609 HydrophobicContact CZ-CE1 4.49Å |
| 556 | G | 82.7 | Confident | 86 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 94.9 | -150.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | C558 W580 N581 | G556-C558 PolarHBondContact O-N 3.21Å; G556-W580 PolarHBondContact O-NE1 3.19Å; G556-N581 PolarHBondContact N-O 2.95Å; G556-N581 VanDerWaalsContact N-O 3.08Å |
| 557 | D | 81.8 | Confident | 86.3 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -64.7 | 133.7 | -177 | -61.8 | -7.6 | 0 | 0 | 0 | 111.5 | S432 S435 P559 D587 K588 W589 | S432-D557 WeakPolarHBondContact CB-O 3.31Å; S432-D557 PolarHBondContact OG-O 3.15Å; S435-D557 WeakPolarHBondContact CB-OD2 3.39Å; S435-D557 PolarHBondContact N-OD1 3.37Å; S435-D557 PolarHBondContact N-OD2 3.39Å; S435-D557 PolarHBondContact OG-OD2 3.46Å; D557-P559 WeakPolarHBondContact O-CD 3.39Å; D557-D587 WeakPolarHBondContact OD1-CA 3.24Å; D557-D587 WeakPolarHBondContact OD1-CB 3.39Å; D557-K588 WeakPolarHBondContact CA-O 3.45Å; D557-K588 HydrophobicContact CB-CB 4.34Å; D557-K588 PolarHBondContact OD1-N 2.62Å; D557-W589 WeakPolarHBondContact OD1-CB 3.16Å |
| 558 | C | 84.2 | Confident | 86.4 | Confident | 2.5 Ų | 2.5 | 28.5 Ų | 28.5 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 120.7 | -178.1 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | V554 G556 I562 W580 K588 W589 T591 M595 | V554-C558 HydrophobicContact CG1-CB 4.34Å; G556-C558 PolarHBondContact O-N 3.21Å; C558-I562 WeakPolarHBondContact SG-CG2 3.4Å; C558-W580 HydrophobicContact CB-CD2 4.07Å; C558-W580 HydrophobicContact CB-CG 4.31Å; C558-W580 HydrophobicContact CB-CZ2 4.34Å; C558-K588 PolarHBondContact N-O 2.87Å; C558-W589 HydrophobicContact CB-CE3 3.83Å; C558-W589 HydrophobicContact CB-CZ3 4.02Å; C558-T591 HydrophobicContact CB-CG2 3.92Å; C558-T591 WeakPolarHBondContact O-CG2 3.36Å; C558-M595 HydrophobicContact CB-CE 3.65Å; C558-M595 WeakPolarHBondContact SG-CE 3.3Å |
| 559 | P | 82.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 142.6 | 176.4 | -16.1 | 30.1 | 0 | 0 | 0 | 113.6 | V475 Y480 L535 D557 S561 I562 A563 T591 | V475-P559 HydrophobicContact CG2-CG 4.22Å; Y480-P559 HydrophobicContact CD1-CB 3.63Å; Y480-P559 VanDerWaalsContact CD1-CB 3.46Å; Y480-P559 HydrophobicContact CD1-CG 3.57Å; Y480-P559 HydrophobicContact CD2-CB 4.16Å; Y480-P559 HydrophobicContact CE1-CB 3.65Å; Y480-P559 VanDerWaalsContact CE1-CB 3.48Å; Y480-P559 HydrophobicContact CE1-CG 3.65Å; Y480-P559 HydrophobicContact CE2-CB 4.17Å; Y480-P559 HydrophobicContact CG-CB 4.05Å; Y480-P559 HydrophobicContact CG-CG 4.21Å; L535-P559 HydrophobicContact CD1-CB 4.45Å; L535-P559 HydrophobicContact CD1-CG 4.1Å; L535-P559 HydrophobicContact CD2-CB 4.21Å; L535-P559 HydrophobicContact CD2-CG 3.93Å; D557-P559 WeakPolarHBondContact O-CD 3.39Å; P559-S561 PolarHBondContact O-N 2.93Å; P559-I562 HydrophobicContact CB-CG2 4.31Å; P559-I562 HydrophobicContact CG-CG2 4.42Å; P559-I562 VanDerWaalsContact O-CG2 3.23Å; P559-I562 WeakPolarHBondContact O-CG2 3.32Å; P559-I562 PolarHBondContact O-N 2.95Å; P559-A563 PolarHBondContact O-N 3.33Å; P559-T591 VanDerWaalsContact C-CG2 3.4Å; P559-T591 WeakPolarHBondContact O-CG2 3.28Å |
| 560 | D | 84.1 | Confident | 86.6 | Confident | 62 Ų | 62 | 26.3 Ų | 26.3 | 33% | 0.332 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -54.4 | -33.4 | 175 | -72.6 | 15.7 | 0 | 0 | 0 | 113 | I562 A563 K564 C590 T591 S592 F593 | D560-I562 PolarHBondContact O-N 3.45Å; D560-A563 PolarHBondContact O-N 3.16Å; D560-K564 WeakPolarHBondContact O-CB 3.34Å; D560-K564 PolarHBondContact O-N 3.31Å; D560-C590 HydrophobicContact CB-CB 4.46Å; D560-C590 WeakPolarHBondContact OD1-CB 3.39Å; D560-T591 WeakPolarHBondContact OD1-CA 3.16Å; D560-T591 WeakPolarHBondContact OD1-CB 3.43Å; D560-T591 WeakPolarHBondContact OD1-CG2 3.39Å; D560-S592 PolarHBondContact OD1-N 2.93Å; D560-S592 WeakPolarHBondContact OD2-CB 3.4Å; D560-S592 PolarHBondContact OD2-OG 2.86Å; D560-F593 HydrophobicContact CB-CD2 3.8Å; D560-F593 HydrophobicContact CB-CE2 4.17Å |
| 561 | S | 85.1 | Confident | 86.5 | Confident | 29 Ų | 29 | 26.4 Ų | 26.4 | 20% | 0.203 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 179.5 | 43.5 | 0 | 0 | 0 | 0 | 113.8 | L535 L539 P559 Y565 | L535-S561 VanDerWaalsContact CD2-OG 3.28Å; L535-S561 WeakPolarHBondContact CD2-OG 3.38Å; L539-S561 WeakPolarHBondContact CD1-O 3.35Å; P559-S561 PolarHBondContact O-N 2.93Å; S561-Y565 WeakPolarHBondContact O-CB 3.48Å; S561-Y565 PolarHBondContact O-N 2.96Å |
| 562 | I | 88.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.5 | -35.2 | 175.8 | -163 | 65.6 | 0 | 0 | 0 | 111.5 | L428 I430 L539 V552 V554 C558 P559 D560 K564 Y565 V566 W598 | L428-I562 HydrophobicContact CD2-CD1 4.09Å; I430-I562 HydrophobicContact CD1-CB 4Å; I430-I562 HydrophobicContact CD1-CD1 3.41Å; I430-I562 VanDerWaalsContact CD1-CD1 3.41Å; I430-I562 HydrophobicContact CD1-CG1 3.63Å; I430-I562 HydrophobicContact CG1-CD1 4Å; I430-I562 HydrophobicContact CG1-CG1 4.27Å; L539-I562 HydrophobicContact CD1-CB 4.34Å; L539-I562 HydrophobicContact CD1-CD1 3.78Å; L539-I562 HydrophobicContact CD2-CD1 3.74Å; L539-I562 HydrophobicContact CG-CD1 4.44Å; V552-I562 HydrophobicContact CG1-CD1 4.2Å; V552-I562 HydrophobicContact CG1-CG1 4.05Å; V554-I562 HydrophobicContact CG2-CG1 4.32Å; V554-I562 HydrophobicContact CG2-CG2 3.93Å; C558-I562 WeakPolarHBondContact SG-CG2 3.4Å; P559-I562 HydrophobicContact CB-CG2 4.31Å; P559-I562 HydrophobicContact CG-CG2 4.42Å; P559-I562 VanDerWaalsContact O-CG2 3.23Å; P559-I562 WeakPolarHBondContact O-CG2 3.32Å; P559-I562 PolarHBondContact O-N 2.95Å; D560-I562 PolarHBondContact O-N 3.45Å; I562-K564 VanDerWaalsContact C-N 3.34Å; I562-K564 PolarHBondContact O-N 3.34Å; I562-Y565 HydrophobicContact CD1-CD1 3.9Å; I562-Y565 HydrophobicContact CD1-CE1 4.48Å; I562-Y565 HydrophobicContact CD1-CG 4.36Å; I562-Y565 PolarHBondContact O-N 3.14Å; I562-V566 WeakPolarHBondContact O-CG2 3.27Å; I562-V566 PolarHBondContact O-N 2.99Å; I562-W598 HydrophobicContact CG1-CH2 4.21Å; I562-W598 HydrophobicContact CG2-CH2 4.22Å |
| 563 | A | 85.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P559 D560 Y565 V566 V567 C590 T591 F593 M595 | P559-A563 PolarHBondContact O-N 3.33Å; D560-A563 PolarHBondContact O-N 3.16Å; A563-Y565 VanDerWaalsContact C-N 3.32Å; A563-Y565 PolarHBondContact O-N 2.85Å; A563-V566 PolarHBondContact O-N 3.18Å; A563-V567 WeakPolarHBondContact O-CG2 3.39Å; A563-V567 PolarHBondContact O-N 2.87Å; A563-C590 WeakPolarHBondContact CB-SG 3.42Å; A563-T591 HydrophobicContact CB-CG2 4.15Å; A563-F593 HydrophobicContact CB-CB 3.88Å; A563-F593 HydrophobicContact CB-CD2 3.63Å; A563-F593 HydrophobicContact CB-CE2 4.33Å; A563-F593 HydrophobicContact CB-CG 4.13Å; A563-M595 HydrophobicContact CB-SD 4.49Å |
| 564 | K | 86.7 | Confident | 85 | Confident | 115.5 Ų | 115.5 | 35.1 Ų | 35.1 | 50% | 0.502 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.1 | -174.3 | 179.4 | 178 | -176.4 | 0 | 112.4 | D560 I562 V566 V567 N568 F593 | D560-K564 WeakPolarHBondContact O-CB 3.34Å; D560-K564 PolarHBondContact O-N 3.31Å; I562-K564 VanDerWaalsContact C-N 3.34Å; I562-K564 PolarHBondContact O-N 3.34Å; K564-V566 PolarHBondContact O-N 2.82Å; K564-V567 PolarHBondContact O-N 3.49Å; K564-N568 WeakPolarHBondContact O-CB 3.48Å; K564-N568 VanDerWaalsContact O-CG 3.29Å; K564-N568 PolarHBondContact O-N 3.4Å; K564-F593 HydrophobicContact CB-CE1 4.37Å; K564-F593 HydrophobicContact CB-CE2 4.09Å; K564-F593 HydrophobicContact CB-CZ 4.03Å; K564-F593 HydrophobicContact CD-CZ 4.48Å; K564-F593 HydrophobicContact CG-CE1 4.48Å; K564-F593 HydrophobicContact CG-CZ 4.18Å |
| 565 | Y | 88.2 | Confident | 84.6 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.6 | 171.9 | -99.9 | 0 | 0 | 0 | 112.6 | L428 L539 F542 S543 F549 S561 I562 A563 V567 N568 Y569 | L428-Y565 HydrophobicContact CD2-CD1 4.42Å; L428-Y565 HydrophobicContact CD2-CE1 4.01Å; L539-Y565 HydrophobicContact CB-CD2 3.87Å; L539-Y565 HydrophobicContact CB-CE2 4.33Å; L539-Y565 HydrophobicContact CB-CG 4.17Å; L539-Y565 HydrophobicContact CD1-CD2 4.45Å; L539-Y565 HydrophobicContact CD1-CG 4.22Å; L539-Y565 HydrophobicContact CD2-CD1 4.02Å; L539-Y565 HydrophobicContact CD2-CD2 4.13Å; L539-Y565 HydrophobicContact CD2-CE1 4.3Å; L539-Y565 HydrophobicContact CD2-CE2 4.3Å; L539-Y565 HydrophobicContact CD2-CG 3.92Å; L539-Y565 HydrophobicContact CG-CD2 4.32Å; L539-Y565 HydrophobicContact CG-CG 4.32Å; F542-Y565 HydrophobicContact CB-CE2 4.2Å; S543-Y565 WeakPolarHBondContact OG-CE2 3.25Å; F549-Y565 WeakPolarHBondContact CD2-OH 3.48Å; S561-Y565 WeakPolarHBondContact O-CB 3.48Å; S561-Y565 PolarHBondContact O-N 2.96Å; I562-Y565 HydrophobicContact CD1-CD1 3.9Å; I562-Y565 HydrophobicContact CD1-CE1 4.48Å; I562-Y565 HydrophobicContact CD1-CG 4.36Å; I562-Y565 PolarHBondContact O-N 3.14Å; A563-Y565 VanDerWaalsContact C-N 3.32Å; A563-Y565 PolarHBondContact O-N 2.85Å; Y565-V567 VanDerWaalsContact C-N 3.34Å; Y565-V567 PolarHBondContact O-N 3.25Å; Y565-N568 CarbonylContact O-C 3.59Å; Y565-N568 PolarHBondContact O-N 3.14Å; Y565-Y569 HydrophobicContact CE1-CD2 4.2Å; Y565-Y569 HydrophobicContact CE2-CD2 4.41Å; Y565-Y569 AromaticContact CZ-CD2 3.79Å; Y565-Y569 VanDerWaalsContact O-CB 3.26Å; Y565-Y569 WeakPolarHBondContact O-CB 3.46Å; Y565-Y569 PolarHBondContact O-N 3.12Å; Y565-Y569 WeakPolarHBondContact OH-CD2 3.48Å |
| 566 | V | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.4 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | V552 I562 A563 K564 Y569 R570 I576 A578 W598 | V552-V566 HydrophobicContact CB-CG2 4.39Å; V552-V566 HydrophobicContact CG1-CG2 4.31Å; V552-V566 HydrophobicContact CG2-CG2 4.3Å; I562-V566 WeakPolarHBondContact O-CG2 3.27Å; I562-V566 PolarHBondContact O-N 2.99Å; A563-V566 PolarHBondContact O-N 3.18Å; K564-V566 PolarHBondContact O-N 2.82Å; V566-Y569 PolarHBondContact O-N 3.31Å; V566-R570 WeakPolarHBondContact O-CG 3.42Å; V566-R570 PolarHBondContact O-N 3.14Å; V566-I576 HydrophobicContact CG1-CG2 4.18Å; V566-A578 HydrophobicContact CG1-CB 3.81Å; V566-A578 HydrophobicContact CG2-CB 4.16Å; V566-W598 HydrophobicContact CB-CZ2 3.8Å; V566-W598 HydrophobicContact CG1-CZ2 4.13Å; V566-W598 HydrophobicContact CG2-CH2 3.96Å; V566-W598 HydrophobicContact CG2-CZ2 3.51Å; V566-W598 VanDerWaalsContact CG2-CZ2 3.4Å |
| 567 | V | 86.5 | Confident | 84.6 | Confident | 67.5 Ų | 67.5 | 43.8 Ų | 43.8 | 41% | 0.409 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 175 | 174 | 0 | 0 | 0 | 0 | 110.7 | A563 K564 Y565 Y569 R570 A571 F593 | A563-V567 WeakPolarHBondContact O-CG2 3.39Å; A563-V567 PolarHBondContact O-N 2.87Å; K564-V567 PolarHBondContact O-N 3.49Å; Y565-V567 VanDerWaalsContact C-N 3.34Å; Y565-V567 PolarHBondContact O-N 3.25Å; V567-Y569 VanDerWaalsContact C-N 3.33Å; V567-Y569 PolarHBondContact O-N 3.41Å; V567-R570 PolarHBondContact O-N 2.92Å; V567-A571 PolarHBondContact O-N 3.27Å; V567-A571 VanDerWaalsContact O-N 3.12Å; V567-F593 HydrophobicContact CG2-CD1 4.2Å |
| 568 | N | 85.3 | Confident | 84.9 | Confident | 68.5 Ų | 68.5 | 43.2 Ų | 43.2 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 178 | -73.8 | -3.6 | 0 | 0 | 0 | 112.9 | K564 Y565 A571 N572 | K564-N568 WeakPolarHBondContact O-CB 3.48Å; K564-N568 VanDerWaalsContact O-CG 3.29Å; K564-N568 PolarHBondContact O-N 3.4Å; Y565-N568 CarbonylContact O-C 3.59Å; Y565-N568 PolarHBondContact O-N 3.14Å; N568-A571 PolarHBondContact O-N 3Å; N568-N572 VanDerWaalsContact O-CB 3.29Å; N568-N572 WeakPolarHBondContact O-CB 3.11Å; N568-N572 PolarHBondContact O-N 3.1Å; N568-N572 VanDerWaalsContact O-N 3.13Å; N568-N572 PolarHBondContact O-ND2 3.04Å |
| 569 | Y | 87.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 177.8 | -170.4 | -73.5 | 0 | 0 | 0 | 110.7 | E548 F549 Y565 V566 V567 A571 N572 I573 G574 I576 | E548-Y569 VanDerWaalsContact CA-OH 3.28Å; E548-Y569 WeakPolarHBondContact CA-OH 3.33Å; F549-Y569 PolarHBondContact N-OH 2.88Å; F549-Y569 PolarHBondContact O-OH 3.24Å; Y565-Y569 HydrophobicContact CE1-CD2 4.2Å; Y565-Y569 HydrophobicContact CE2-CD2 4.41Å; Y565-Y569 AromaticContact CZ-CD2 3.79Å; Y565-Y569 VanDerWaalsContact O-CB 3.26Å; Y565-Y569 WeakPolarHBondContact O-CB 3.46Å; Y565-Y569 PolarHBondContact O-N 3.12Å; Y565-Y569 WeakPolarHBondContact OH-CD2 3.48Å; V566-Y569 PolarHBondContact O-N 3.31Å; V567-Y569 VanDerWaalsContact C-N 3.33Å; V567-Y569 PolarHBondContact O-N 3.41Å; Y569-A571 VanDerWaalsContact C-N 3.27Å; Y569-A571 PolarHBondContact O-N 3.29Å; Y569-N572 PolarHBondContact O-N 3.15Å; Y569-I573 HydrophobicContact CD1-CB 4.12Å; Y569-I573 HydrophobicContact CD1-CG2 4.38Å; Y569-I573 HydrophobicContact CD2-CB 4.3Å; Y569-I573 HydrophobicContact CD2-CD1 3.59Å; Y569-I573 HydrophobicContact CD2-CG1 4.37Å; Y569-I573 HydrophobicContact CD2-CG2 4.47Å; Y569-I573 HydrophobicContact CE1-CB 4.01Å; Y569-I573 HydrophobicContact CE1-CG2 3.87Å; Y569-I573 HydrophobicContact CE2-CB 4.21Å; Y569-I573 HydrophobicContact CE2-CD1 3.72Å; Y569-I573 HydrophobicContact CE2-CG1 4.49Å; Y569-I573 HydrophobicContact CE2-CG2 3.96Å; Y569-I573 HydrophobicContact CG-CB 4.25Å; Y569-I573 HydrophobicContact CG-CD1 4.2Å; Y569-I573 WeakPolarHBondContact O-CA 3.29Å; Y569-I573 PolarHBondContact O-N 3.17Å; Y569-G574 VanDerWaalsContact CD1-O 3.28Å; Y569-G574 WeakPolarHBondContact CD1-O 3.38Å; Y569-G574 WeakPolarHBondContact CE1-O 3.31Å; Y569-G574 PolarHBondContact O-N 2.87Å; Y569-G574 VanDerWaalsContact O-N 3.12Å; Y569-I576 HydrophobicContact CD1-CB 3.67Å; Y569-I576 HydrophobicContact CD1-CD1 3.9Å; Y569-I576 HydrophobicContact CD1-CG1 4.41Å; Y569-I576 HydrophobicContact CD1-CG2 3.59Å; Y569-I576 HydrophobicContact CD2-CD1 4.21Å; Y569-I576 HydrophobicContact CE1-CB 3.73Å; Y569-I576 HydrophobicContact CE1-CD1 3.83Å; Y569-I576 HydrophobicContact CE1-CG1 4.29Å; Y569-I576 HydrophobicContact CE1-CG2 4.2Å; Y569-I576 HydrophobicContact CE2-CD1 4.14Å; Y569-I576 HydrophobicContact CG-CB 4.48Å; Y569-I576 HydrophobicContact CG-CD1 4.1Å; Y569-I576 HydrophobicContact CG-CG2 4.19Å |
| 570 | R | 87.5 | Confident | 85.3 | Confident | 86.5 Ų | 86.5 | 43.4 Ų | 43.4 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 176.8 | -71.7 | 176.2 | 177.8 | 168.2 | -3.5 | 112.8 | V566 V567 G574 I576 T596 G597 | V566-R570 WeakPolarHBondContact O-CG 3.42Å; V566-R570 PolarHBondContact O-N 3.14Å; V567-R570 PolarHBondContact O-N 2.92Å; R570-G574 WeakPolarHBondContact CA-O 3.14Å; R570-I576 HydrophobicContact CG-CG2 3.79Å; R570-I576 PolarHBondContact NE-O 2.85Å; R570-I576 PolarHBondContact NH2-O 2.92Å; R570-T596 PolarHBondContact NH1-O 2.79Å; R570-G597 PolarHBondContact NH1-O 3.46Å; R570-G597 VanDerWaalsContact NH1-O 3.17Å; R570-G597 PolarHBondContact NH2-O 2.91Å |
| 571 | A | 84.5 | Confident | 85.4 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -76.7 | -33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V567 N568 Y569 | V567-A571 PolarHBondContact O-N 3.27Å; V567-A571 VanDerWaalsContact O-N 3.12Å; N568-A571 PolarHBondContact O-N 3Å; Y569-A571 VanDerWaalsContact C-N 3.27Å; Y569-A571 PolarHBondContact O-N 3.29Å |
| 572 | N | 81.3 | Confident | 85.3 | Confident | 122 Ų | 122 | 39.2 Ų | 39.2 | 65% | 0.652 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -117.2 | -18.9 | -166.2 | -61.6 | -51.7 | 0 | 0 | 0 | 115.8 | N568 Y569 | N568-N572 VanDerWaalsContact O-CB 3.29Å; N568-N572 WeakPolarHBondContact O-CB 3.11Å; N568-N572 PolarHBondContact O-N 3.1Å; N568-N572 VanDerWaalsContact O-N 3.13Å; N568-N572 PolarHBondContact O-ND2 3.04Å; Y569-N572 PolarHBondContact O-N 3.15Å |
| 573 | I | 79.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -57.1 | -173.5 | -60.1 | 172.7 | 0 | 0 | 0 | 110.4 | E548 Y569 | E548-I573 HydrophobicContact CG-CG2 4.37Å; Y569-I573 HydrophobicContact CD1-CB 4.12Å; Y569-I573 HydrophobicContact CD1-CG2 4.38Å; Y569-I573 HydrophobicContact CD2-CB 4.3Å; Y569-I573 HydrophobicContact CD2-CD1 3.59Å; Y569-I573 HydrophobicContact CD2-CG1 4.37Å; Y569-I573 HydrophobicContact CD2-CG2 4.47Å; Y569-I573 HydrophobicContact CE1-CB 4.01Å; Y569-I573 HydrophobicContact CE1-CG2 3.87Å; Y569-I573 HydrophobicContact CE2-CB 4.21Å; Y569-I573 HydrophobicContact CE2-CD1 3.72Å; Y569-I573 HydrophobicContact CE2-CG1 4.49Å; Y569-I573 HydrophobicContact CE2-CG2 3.96Å; Y569-I573 HydrophobicContact CG-CB 4.25Å; Y569-I573 HydrophobicContact CG-CD1 4.2Å; Y569-I573 WeakPolarHBondContact O-CA 3.29Å; Y569-I573 PolarHBondContact O-N 3.17Å |
| 574 | G | 77.7 | Confident | 84 | Confident | 21.5 Ų | 21.5 | 39.9 Ų | 39.9 | 22% | 0.222 | 22% | 0.224 | C | C | . | . | trans | 165.3 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y569 R570 I576 | Y569-G574 VanDerWaalsContact CD1-O 3.28Å; Y569-G574 WeakPolarHBondContact CD1-O 3.38Å; Y569-G574 WeakPolarHBondContact CE1-O 3.31Å; Y569-G574 PolarHBondContact O-N 2.87Å; Y569-G574 VanDerWaalsContact O-N 3.12Å; R570-G574 WeakPolarHBondContact CA-O 3.14Å; G574-I576 PolarHBondContact O-N 2.85Å | ||
| 575 | P | 81.6 | Confident | 83.2 | Confident | 130 Ų | 130 | 35.7 Ų | 35.7 | 84% | 0.844 | 21% | 0.213 | S | C | * | . | trans | -63.9 | 135.3 | 178.3 | 27.8 | -34 | 0 | 0 | 0 | 110.8 | ||||
| 576 | I | 84.8 | Confident | 82.2 | Confident | 6.5 Ų | 6.5 | 39.3 Ų | 39.3 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | trans | -139.3 | 131.8 | 176.5 | -167.8 | 165.1 | 0 | 0 | 0 | 110.3 | F549 V552 V566 Y569 R570 G574 | F549-I576 HydrophobicContact CB-CD1 3.94Å; F549-I576 VanDerWaalsContact O-CD1 3.26Å; F549-I576 WeakPolarHBondContact O-CD1 3.48Å; F549-I576 WeakPolarHBondContact O-CG1 3.42Å; V552-I576 HydrophobicContact CB-CD1 4.47Å; V552-I576 HydrophobicContact CG2-CD1 3.4Å; V552-I576 VanDerWaalsContact CG2-CD1 3.45Å; V552-I576 HydrophobicContact CG2-CG1 4.01Å; V566-I576 HydrophobicContact CG1-CG2 4.18Å; Y569-I576 HydrophobicContact CD1-CB 3.67Å; Y569-I576 HydrophobicContact CD1-CD1 3.9Å; Y569-I576 HydrophobicContact CD1-CG1 4.41Å; Y569-I576 HydrophobicContact CD1-CG2 3.59Å; Y569-I576 HydrophobicContact CD2-CD1 4.21Å; Y569-I576 HydrophobicContact CE1-CB 3.73Å; Y569-I576 HydrophobicContact CE1-CD1 3.83Å; Y569-I576 HydrophobicContact CE1-CG1 4.29Å; Y569-I576 HydrophobicContact CE1-CG2 4.2Å; Y569-I576 HydrophobicContact CE2-CD1 4.14Å; Y569-I576 HydrophobicContact CG-CB 4.48Å; Y569-I576 HydrophobicContact CG-CD1 4.1Å; Y569-I576 HydrophobicContact CG-CG2 4.19Å; R570-I576 HydrophobicContact CG-CG2 3.79Å; R570-I576 PolarHBondContact NE-O 2.85Å; R570-I576 PolarHBondContact NH2-O 2.92Å; G574-I576 PolarHBondContact O-N 2.85Å | ||
| 577 | K | 85.3 | Confident | 81.2 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.3 | 179.4 | -62.8 | -168.3 | -178 | -167.9 | 0 | 109.7 | D52 D550 K551 V552 P615 D616 D617 | D52-K577 IonicContact OD1-NZ 2.6Å; D52-K577 PolarHBondContact OD1-NZ 3.13Å; D550-K577 PolarHBondContact O-N 2.83Å; K551-K577 CarbonylContact C-O 3.09Å; K551-K577 WeakPolarHBondContact CA-O 3.25Å; K551-K577 HydrophobicContact CG-CB 4.32Å; V552-K577 PolarHBondContact N-O 3.15Å; K577-P615 PolarHBondContact NZ-O 3.01Å; K577-D616 IonicContact NZ-OD1 3.18Å; K577-D616 PolarHBondContact NZ-OD1 2.9Å; K577-D617 WeakPolarHBondContact CE-OD1 3.13Å; K577-D617 WeakPolarHBondContact CE-OD2 3.43Å; K577-D617 IonicContact NZ-OD1 3.08Å; K577-D617 PolarHBondContact NZ-OD1 3.16Å; K577-D617 IonicContact NZ-OD2 2.64Å; K577-D617 PolarHBondContact NZ-OD2 3.41Å |
| 578 | A | 88.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V552 V566 W598 I599 | V552-A578 WeakPolarHBondContact O-CA 3.31Å; V566-A578 HydrophobicContact CG1-CB 3.81Å; V566-A578 HydrophobicContact CG2-CB 4.16Å; A578-W598 HydrophobicContact CB-CD2 3.54Å; A578-W598 VanDerWaalsContact CB-CD2 3.49Å; A578-W598 HydrophobicContact CB-CE3 3.63Å; A578-W598 HydrophobicContact CB-CG 4.12Å; A578-W598 HydrophobicContact CB-CH2 4.07Å; A578-W598 HydrophobicContact CB-CZ2 3.98Å; A578-W598 HydrophobicContact CB-CZ3 3.9Å; A578-W598 WeakPolarHBondContact O-CA 3.43Å; A578-I599 PolarHBondContact O-N 2.92Å |
| 579 | I | 87.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128 | -175.2 | -55.2 | 167.9 | 0 | 0 | 0 | 108.8 | I59 V552 I553 V554 I599 V608 Y611 L612 | I59-I579 HydrophobicContact CD1-CG2 4.48Å; V552-I579 PolarHBondContact O-N 3.02Å; I553-I579 CarbonylContact C-O 3.55Å; I553-I579 WeakPolarHBondContact CA-O 3.42Å; I553-I579 HydrophobicContact CD1-CB 4.46Å; I553-I579 HydrophobicContact CD1-CG2 4.33Å; I553-I579 HydrophobicContact CG1-CB 4.09Å; I553-I579 HydrophobicContact CG1-CD1 4.38Å; I553-I579 HydrophobicContact CG1-CG2 4Å; V554-I579 PolarHBondContact N-O 2.82Å; I579-I599 WeakPolarHBondContact CA-O 3.49Å; I579-I599 HydrophobicContact CG1-CB 4.21Å; I579-I599 HydrophobicContact CG1-CD1 3.96Å; I579-V608 HydrophobicContact CG2-CG1 4.4Å; I579-Y611 HydrophobicContact CD1-CD1 3.59Å; I579-Y611 VanDerWaalsContact CD1-CD1 3.41Å; I579-Y611 HydrophobicContact CD1-CE1 3.69Å; I579-Y611 VanDerWaalsContact CD1-CE1 3.42Å; I579-Y611 HydrophobicContact CG1-CD1 4.45Å; I579-Y611 HydrophobicContact CG1-CE1 4.27Å; I579-L612 HydrophobicContact CD1-CD2 3.6Å; I579-L612 HydrophobicContact CD1-CG 4.31Å |
| 580 | W | 88.6 | Confident | 78.8 | Confident | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.6 | 173.5 | 178.3 | 39.5 | 0 | 0 | 0 | 110.3 | G556 C558 N582 D587 W589 C590 M595 W598 I599 E600 S601 | G556-W580 PolarHBondContact O-NE1 3.19Å; C558-W580 HydrophobicContact CB-CD2 4.07Å; C558-W580 HydrophobicContact CB-CG 4.31Å; C558-W580 HydrophobicContact CB-CZ2 4.34Å; W580-N582 HydrophobicContact CD2-CB 4.35Å; W580-N582 HydrophobicContact CH2-CB 4.12Å; W580-N582 WeakPolarHBondContact CH2-ND2 3.09Å; W580-N582 HydrophobicContact CZ2-CB 3.92Å; W580-N582 HydrophobicContact CZ3-CB 4.47Å; W580-N582 PolarHBondContact O-N 3.08Å; W580-D587 WeakPolarHBondContact CH2-O 3.49Å; W580-D587 HydrophobicContact CZ2-CB 4.02Å; W580-D587 WeakPolarHBondContact CZ2-O 3.46Å; W580-W589 HydrophobicContact CB-CZ3 4.03Å; W580-W589 AromaticContact CD2-CE3 3.63Å; W580-W589 HydrophobicContact CD2-CE3 3.63Å; W580-W589 AromaticContact CD2-CZ3 3.98Å; W580-W589 HydrophobicContact CD2-CZ3 3.98Å; W580-W589 HydrophobicContact CE3-CD2 4.33Å; W580-W589 AromaticContact CE3-CE3 3.41Å; W580-W589 HydrophobicContact CE3-CE3 3.41Å; W580-W589 VanDerWaalsContact CE3-CE3 3.41Å; W580-W589 AromaticContact CE3-CZ3 3.96Å; W580-W589 HydrophobicContact CE3-CZ3 3.96Å; W580-W589 HydrophobicContact CG-CE3 4.14Å; W580-W589 HydrophobicContact CG-CZ3 4.02Å; W580-W589 HydrophobicContact CH2-CB 3.81Å; W580-W589 HydrophobicContact CH2-CE3 4.39Å; W580-W589 HydrophobicContact CZ2-CB 4.42Å; W580-W589 HydrophobicContact CZ3-CB 3.97Å; W580-W589 HydrophobicContact CZ3-CD2 4.37Å; W580-W589 AromaticContact CZ3-CE3 3.83Å; W580-W589 HydrophobicContact CZ3-CE3 3.83Å; W580-W589 HydrophobicContact CZ3-CG 4.46Å; W580-C590 HydrophobicContact CH2-CB 4.13Å; W580-C590 WeakPolarHBondContact CH2-SG 2.91Å; W580-C590 HydrophobicContact CZ3-CB 4.46Å; W580-C590 WeakPolarHBondContact CZ3-SG 3.47Å; W580-M595 HydrophobicContact CD2-CE 4.46Å; W580-M595 HydrophobicContact CE3-CE 3.91Å; W580-M595 HydrophobicContact CE3-SD 4.29Å; W580-M595 HydrophobicContact CZ3-CE 4.21Å; W580-M595 HydrophobicContact CZ3-SD 4.39Å; W580-W598 HydrophobicContact CB-CE3 3.94Å; W580-W598 HydrophobicContact CB-CZ3 4.27Å; W580-I599 PolarHBondContact N-O 3.07Å; W580-E600 HydrophobicContact CD2-CG 4.44Å; W580-E600 HydrophobicContact CE3-CG 3.82Å; W580-E600 HydrophobicContact CZ3-CG 4.09Å; W580-E600 VanDerWaalsContact CZ3-OE1 3.24Å; W580-E600 WeakPolarHBondContact CZ3-OE1 3.34Å; W580-E600 CarbonylContact O-C 3.58Å; W580-E600 WeakPolarHBondContact O-CA 3.4Å; W580-S601 PolarHBondContact O-N 3.42Å |
| 581 | N | 86 | Confident | 77.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 96.5 | 176.2 | -169.9 | -5.1 | 0 | 0 | 0 | 110.1 | V554 F555 G556 L583 S601 G603 | V554-N581 PolarHBondContact O-N 3.08Å; F555-N581 HydrophobicContact CD1-CB 3.73Å; F555-N581 HydrophobicContact CE1-CB 4.1Å; G556-N581 PolarHBondContact N-O 2.95Å; G556-N581 VanDerWaalsContact N-O 3.08Å; N581-L583 VanDerWaalsContact C-N 3.3Å; N581-L583 PolarHBondContact O-N 3.25Å; N581-L583 VanDerWaalsContact O-N 3.07Å; N581-S601 CarbonylContact C-O 3.57Å; N581-S601 WeakPolarHBondContact CA-O 3.36Å; N581-S601 PolarHBondContact OD1-O 3.4Å; N581-S601 PolarHBondContact OD1-OG 3.18Å; N581-G603 PolarHBondContact OD1-O 3.44Å |
| 582 | N | 82.3 | Confident | 77.4 | Confident | 2.5 Ų | 2.5 | 45.9 Ų | 45.9 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 79.6 | 175.5 | -178.6 | -3.2 | 0 | 0 | 0 | 109.8 | W580 S584 G585 N586 D587 E600 S601 K602 G603 | W580-N582 HydrophobicContact CD2-CB 4.35Å; W580-N582 HydrophobicContact CH2-CB 4.12Å; W580-N582 WeakPolarHBondContact CH2-ND2 3.09Å; W580-N582 HydrophobicContact CZ2-CB 3.92Å; W580-N582 HydrophobicContact CZ3-CB 4.47Å; W580-N582 PolarHBondContact O-N 3.08Å; N582-S584 VanDerWaalsContact C-N 3.32Å; N582-S584 PolarHBondContact O-N 3.37Å; N582-S584 PolarHBondContact OD1-N 2.87Å; N582-S584 PolarHBondContact OD1-OG 2.92Å; N582-G585 PolarHBondContact ND2-O 3.27Å; N582-G585 PolarHBondContact O-N 3.22Å; N582-G585 WeakPolarHBondContact OD1-CA 3.35Å; N582-G585 PolarHBondContact OD1-N 3.37Å; N582-G585 VanDerWaalsContact OD1-N 3.17Å; N582-N586 PolarHBondContact OD1-N 3.5Å; N582-N586 VanDerWaalsContact OD1-N 3.1Å; N582-D587 WeakPolarHBondContact OD1-CB 3.43Å; N582-D587 PolarHBondContact OD1-N 2.92Å; N582-E600 HydrophobicContact CB-CG 4.47Å; N582-E600 PolarHBondContact ND2-OE1 3.12Å; N582-E600 VanDerWaalsContact ND2-OE1 3.15Å; N582-S601 WeakPolarHBondContact CA-O 3.49Å; N582-S601 WeakPolarHBondContact CB-O 3.37Å; N582-S601 PolarHBondContact N-O 3.29Å; N582-K602 HydrophobicContact CB-CG 4.4Å; N582-G603 PolarHBondContact O-N 2.85Å |
| 583 | L | 76.8 | Confident | 77.1 | Confident | 1.5 Ų | 1.5 | 43.4 Ų | 43.4 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.5 | -177.5 | -65.7 | 176.3 | 0 | 0 | 0 | 113.2 | V3 I452 L455 Y459 F555 N581 D587 L604 | V3-L583 WeakPolarHBondContact CG2-O 2.99Å; I452-L583 HydrophobicContact CG2-CB 3.99Å; I452-L583 HydrophobicContact CG2-CD1 4.4Å; L455-L583 HydrophobicContact CB-CD1 3.96Å; L455-L583 HydrophobicContact CD2-CD1 4.5Å; L455-L583 HydrophobicContact CD2-CD2 4.06Å; Y459-L583 HydrophobicContact CD2-CD2 4.02Å; Y459-L583 HydrophobicContact CE2-CD2 3.91Å; F555-L583 HydrophobicContact CB-CD1 4.29Å; N581-L583 VanDerWaalsContact C-N 3.3Å; N581-L583 PolarHBondContact O-N 3.25Å; N581-L583 VanDerWaalsContact O-N 3.07Å; L583-D587 PolarHBondContact N-OD2 3.34Å; L583-L604 HydrophobicContact CD2-CD2 4.39Å |
| 584 | S | 69.8 | Low | 76.8 | Confident | 14.5 Ų | 14.5 | 44.9 Ų | 44.9 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -24.6 | 177.9 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | M1 N582 N586 D587 | M1-S584 PolarHBondContact N-O 3.5Å; N582-S584 VanDerWaalsContact C-N 3.32Å; N582-S584 PolarHBondContact O-N 3.37Å; N582-S584 PolarHBondContact OD1-N 2.87Å; N582-S584 PolarHBondContact OD1-OG 2.92Å; S584-N586 PolarHBondContact O-N 2.91Å; S584-N586 VanDerWaalsContact OG-C 3.3Å; S584-N586 PolarHBondContact OG-N 2.9Å; S584-N586 PolarHBondContact OG-O 2.88Å; S584-D587 WeakPolarHBondContact CB-OD1 3.23Å; S584-D587 PolarHBondContact N-OD2 3.47Å; S584-D587 PolarHBondContact OG-N 2.97Å; S584-D587 PolarHBondContact OG-OD1 3.34Å |
| 585 | G | 68.9 | Low | 76.7 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 71.5 | 5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N582 | N582-G585 PolarHBondContact ND2-O 3.27Å; N582-G585 PolarHBondContact O-N 3.22Å; N582-G585 WeakPolarHBondContact OD1-CA 3.35Å; N582-G585 PolarHBondContact OD1-N 3.37Å; N582-G585 VanDerWaalsContact OD1-N 3.17Å |
| 586 | N | 68.3 | Low | 76.3 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -126.3 | 65 | -178.2 | -117.3 | 11.4 | 0 | 0 | 0 | 111 | G436 N582 S584 K588 W589 | G436-N586 VanDerWaalsContact CA-O 3.24Å; G436-N586 WeakPolarHBondContact CA-O 3.24Å; N582-N586 PolarHBondContact OD1-N 3.5Å; N582-N586 VanDerWaalsContact OD1-N 3.1Å; S584-N586 PolarHBondContact O-N 2.91Å; S584-N586 VanDerWaalsContact OG-C 3.3Å; S584-N586 PolarHBondContact OG-N 2.9Å; S584-N586 PolarHBondContact OG-O 2.88Å; N586-K588 PolarHBondContact O-N 3.47Å; N586-W589 PolarHBondContact O-N 3.41Å |
| 587 | D | 68.2 | Low | 75.8 | Confident | 44.5 Ų | 44.5 | 47.5 Ų | 47.5 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -67 | 70.2 | -176.4 | -59.6 | -16.5 | 0 | 0 | 0 | 111.4 | C434 D557 W580 N582 L583 S584 W589 C590 K602 | C434-D587 WeakPolarHBondContact CB-OD1 3.36Å; C434-D587 VanDerWaalsContact SG-CG 3.59Å; C434-D587 PolarHBondContact SG-OD1 2.69Å; C434-D587 PolarHBondContact SG-OD2 2.61Å; C434-D587 VanDerWaalsContact SG-OD2 3.37Å; D557-D587 WeakPolarHBondContact OD1-CA 3.24Å; D557-D587 WeakPolarHBondContact OD1-CB 3.39Å; W580-D587 WeakPolarHBondContact CH2-O 3.49Å; W580-D587 HydrophobicContact CZ2-CB 4.02Å; W580-D587 WeakPolarHBondContact CZ2-O 3.46Å; N582-D587 WeakPolarHBondContact OD1-CB 3.43Å; N582-D587 PolarHBondContact OD1-N 2.92Å; L583-D587 PolarHBondContact N-OD2 3.34Å; S584-D587 WeakPolarHBondContact CB-OD1 3.23Å; S584-D587 PolarHBondContact N-OD2 3.47Å; S584-D587 PolarHBondContact OG-N 2.97Å; S584-D587 PolarHBondContact OG-OD1 3.34Å; D587-W589 PolarHBondContact O-N 3.49Å; D587-W589 VanDerWaalsContact O-N 3.09Å; D587-C590 VanDerWaalsContact O-CB 3.29Å; D587-C590 WeakPolarHBondContact O-CB 3.21Å; D587-C590 PolarHBondContact O-N 2.83Å; D587-C590 VanDerWaalsContact O-N 3.15Å; D587-C590 PolarHBondContact O-SG 3.49Å; D587-K602 WeakPolarHBondContact OD1-CE 3.34Å; D587-K602 IonicContact OD1-NZ 2.83Å; D587-K602 PolarHBondContact OD1-NZ 3.16Å; D587-K602 IonicContact OD2-NZ 2.73Å; D587-K602 PolarHBondContact OD2-NZ 2.88Å |
| 588 | K | 68.9 | Low | 75.7 | Confident | 149.5 Ų | 149.5 | 46.5 Ų | 46.5 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 57.4 | 179 | -67.2 | -170.7 | -179.7 | -177.1 | 0 | 112.9 | S435 D557 C558 N586 | S435-K588 WeakPolarHBondContact OG-CD 3.42Å; S435-K588 WeakPolarHBondContact OG-CE 3.1Å; S435-K588 WeakPolarHBondContact OG-CG 3.35Å; D557-K588 WeakPolarHBondContact CA-O 3.45Å; D557-K588 HydrophobicContact CB-CB 4.34Å; D557-K588 PolarHBondContact OD1-N 2.62Å; C558-K588 PolarHBondContact N-O 2.87Å; N586-K588 PolarHBondContact O-N 3.47Å |
| 589 | W | 69.5 | Low | 75.3 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 87.1 | 170.3 | -116.7 | -65.2 | 0 | 0 | 0 | 111.5 | I452 D557 C558 W580 N586 D587 T591 F593 M595 W598 | I452-W589 HydrophobicContact CD1-CH2 4.42Å; I452-W589 HydrophobicContact CD1-CZ3 3.75Å; D557-W589 WeakPolarHBondContact OD1-CB 3.16Å; C558-W589 HydrophobicContact CB-CE3 3.83Å; C558-W589 HydrophobicContact CB-CZ3 4.02Å; W580-W589 HydrophobicContact CB-CZ3 4.03Å; W580-W589 AromaticContact CD2-CE3 3.63Å; W580-W589 HydrophobicContact CD2-CE3 3.63Å; W580-W589 AromaticContact CD2-CZ3 3.98Å; W580-W589 HydrophobicContact CD2-CZ3 3.98Å; W580-W589 HydrophobicContact CE3-CD2 4.33Å; W580-W589 AromaticContact CE3-CE3 3.41Å; W580-W589 HydrophobicContact CE3-CE3 3.41Å; W580-W589 VanDerWaalsContact CE3-CE3 3.41Å; W580-W589 AromaticContact CE3-CZ3 3.96Å; W580-W589 HydrophobicContact CE3-CZ3 3.96Å; W580-W589 HydrophobicContact CG-CE3 4.14Å; W580-W589 HydrophobicContact CG-CZ3 4.02Å; W580-W589 HydrophobicContact CH2-CB 3.81Å; W580-W589 HydrophobicContact CH2-CE3 4.39Å; W580-W589 HydrophobicContact CZ2-CB 4.42Å; W580-W589 HydrophobicContact CZ3-CB 3.97Å; W580-W589 HydrophobicContact CZ3-CD2 4.37Å; W580-W589 AromaticContact CZ3-CE3 3.83Å; W580-W589 HydrophobicContact CZ3-CE3 3.83Å; W580-W589 HydrophobicContact CZ3-CG 4.46Å; N586-W589 PolarHBondContact O-N 3.41Å; D587-W589 PolarHBondContact O-N 3.49Å; D587-W589 VanDerWaalsContact O-N 3.09Å; W589-T591 PolarHBondContact O-N 3.16Å; W589-F593 PolarHBondContact NE1-O 3.28Å; W589-M595 HydrophobicContact CD2-CG 4.48Å; W589-M595 HydrophobicContact CD2-SD 4.43Å; W589-M595 HydrophobicContact CH2-CG 4.15Å; W589-M595 HydrophobicContact CZ2-CB 4.04Å; W589-M595 HydrophobicContact CZ2-CG 3.96Å; W589-M595 HydrophobicContact CZ3-CG 4.48Å; W589-W598 HydrophobicContact CH2-CB 4.13Å; W589-W598 AromaticContact CH2-CD1 3.89Å; W589-W598 AromaticContact CH2-CD2 3.57Å; W589-W598 HydrophobicContact CH2-CD2 3.57Å; W589-W598 AromaticContact CH2-CE2 3.82Å; W589-W598 AromaticContact CH2-CE3 4Å; W589-W598 HydrophobicContact CH2-CE3 4Å; W589-W598 AromaticContact CH2-CG 3.63Å; W589-W598 HydrophobicContact CH2-CG 3.63Å; W589-W598 HydrophobicContact CH2-CZ2 4.45Å; W589-W598 AromaticContact CH2-NE1 4Å; W589-W598 HydrophobicContact CZ2-CG 4.41Å; W589-W598 HydrophobicContact CZ3-CD2 4.17Å; W589-W598 HydrophobicContact CZ3-CE3 4.13Å; W589-W598 HydrophobicContact CZ3-CG 4.45Å |
| 590 | C | 69.5 | Low | 75 | Confident | 26.5 Ų | 26.5 | 50.5 Ų | 50.5 | 18% | 0.179 | 29% | 0.29 | C | S | . | . | trans | -73.9 | 136 | 171.4 | -10.1 | 0 | 0 | 0 | 0 | 111.7 | D560 A563 W580 D587 S592 F593 | D560-C590 HydrophobicContact CB-CB 4.46Å; D560-C590 WeakPolarHBondContact OD1-CB 3.39Å; A563-C590 WeakPolarHBondContact CB-SG 3.42Å; W580-C590 HydrophobicContact CH2-CB 4.13Å; W580-C590 WeakPolarHBondContact CH2-SG 2.91Å; W580-C590 HydrophobicContact CZ3-CB 4.46Å; W580-C590 WeakPolarHBondContact CZ3-SG 3.47Å; D587-C590 VanDerWaalsContact O-CB 3.29Å; D587-C590 WeakPolarHBondContact O-CB 3.21Å; D587-C590 PolarHBondContact O-N 2.83Å; D587-C590 VanDerWaalsContact O-N 3.15Å; D587-C590 PolarHBondContact O-SG 3.49Å; C590-S592 PolarHBondContact O-N 3.06Å; C590-S592 VanDerWaalsContact O-N 3.09Å; C590-F593 PolarHBondContact O-N 3.32Å | ||
| 591 | T | 69.5 | Low | 74.5 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 74.4 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | C558 P559 D560 A563 W589 F593 M595 | C558-T591 HydrophobicContact CB-CG2 3.92Å; C558-T591 WeakPolarHBondContact O-CG2 3.36Å; P559-T591 VanDerWaalsContact C-CG2 3.4Å; P559-T591 WeakPolarHBondContact O-CG2 3.28Å; D560-T591 WeakPolarHBondContact OD1-CA 3.16Å; D560-T591 WeakPolarHBondContact OD1-CB 3.43Å; D560-T591 WeakPolarHBondContact OD1-CG2 3.39Å; A563-T591 HydrophobicContact CB-CG2 4.15Å; W589-T591 PolarHBondContact O-N 3.16Å; T591-F593 PolarHBondContact OG1-O 2.87Å; T591-F593 VanDerWaalsContact OG1-O 3.11Å; T591-M595 HydrophobicContact CG2-CE 3.54Å; T591-M595 WeakPolarHBondContact OG1-CE 3.18Å |
| 592 | S | 73.4 | Confident | 74 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 58% | 0.58 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15 | 172.9 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | D560 C590 | D560-S592 PolarHBondContact OD1-N 2.93Å; D560-S592 WeakPolarHBondContact OD2-CB 3.4Å; D560-S592 PolarHBondContact OD2-OG 2.86Å; C590-S592 PolarHBondContact O-N 3.06Å; C590-S592 VanDerWaalsContact O-N 3.09Å |
| 593 | F | 74.2 | Confident | 73.4 | Confident | 69.5 Ų | 69.5 | 56.4 Ų | 56.4 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -104.1 | 144.4 | -179.7 | -78.3 | -91.2 | 0 | 0 | 0 | 112.6 | D560 A563 K564 V567 W589 C590 T591 M595 | D560-F593 HydrophobicContact CB-CD2 3.8Å; D560-F593 HydrophobicContact CB-CE2 4.17Å; A563-F593 HydrophobicContact CB-CB 3.88Å; A563-F593 HydrophobicContact CB-CD2 3.63Å; A563-F593 HydrophobicContact CB-CE2 4.33Å; A563-F593 HydrophobicContact CB-CG 4.13Å; K564-F593 HydrophobicContact CB-CE1 4.37Å; K564-F593 HydrophobicContact CB-CE2 4.09Å; K564-F593 HydrophobicContact CB-CZ 4.03Å; K564-F593 HydrophobicContact CD-CZ 4.48Å; K564-F593 HydrophobicContact CG-CE1 4.48Å; K564-F593 HydrophobicContact CG-CZ 4.18Å; V567-F593 HydrophobicContact CG2-CD1 4.2Å; W589-F593 PolarHBondContact NE1-O 3.28Å; C590-F593 PolarHBondContact O-N 3.32Å; T591-F593 PolarHBondContact OG1-O 2.87Å; T591-F593 VanDerWaalsContact OG1-O 3.11Å; F593-M595 PolarHBondContact O-N 3.43Å |
| 594 | P | 73.5 | Confident | 72.9 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | trans | -64.7 | 137.8 | 173.6 | 27.7 | -34.1 | 0 | 0 | 0 | 110.9 | T596 | P594-T596 HydrophobicContact CB-CG2 4.39Å; P594-T596 PolarHBondContact O-N 3.13Å | ||
| 595 | M | 74.5 | Confident | 72.8 | Confident | 54.5 Ų | 54.5 | 61.5 Ų | 61.5 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | trans | -83 | 20.9 | 177.5 | -115.8 | -128.4 | -176.8 | 0 | 0 | 112.8 | C558 A563 W580 W589 T591 F593 G597 W598 E600 | C558-M595 HydrophobicContact CB-CE 3.65Å; C558-M595 WeakPolarHBondContact SG-CE 3.3Å; A563-M595 HydrophobicContact CB-SD 4.49Å; W580-M595 HydrophobicContact CD2-CE 4.46Å; W580-M595 HydrophobicContact CE3-CE 3.91Å; W580-M595 HydrophobicContact CE3-SD 4.29Å; W580-M595 HydrophobicContact CZ3-CE 4.21Å; W580-M595 HydrophobicContact CZ3-SD 4.39Å; W589-M595 HydrophobicContact CD2-CG 4.48Å; W589-M595 HydrophobicContact CD2-SD 4.43Å; W589-M595 HydrophobicContact CH2-CG 4.15Å; W589-M595 HydrophobicContact CZ2-CB 4.04Å; W589-M595 HydrophobicContact CZ2-CG 3.96Å; W589-M595 HydrophobicContact CZ3-CG 4.48Å; T591-M595 HydrophobicContact CG2-CE 3.54Å; T591-M595 WeakPolarHBondContact OG1-CE 3.18Å; F593-M595 PolarHBondContact O-N 3.43Å; M595-G597 PolarHBondContact O-N 3.05Å; M595-W598 HydrophobicContact CB-CB 4.24Å; M595-W598 HydrophobicContact CB-CG 4.38Å; M595-W598 HydrophobicContact CE-CB 4.46Å; M595-W598 HydrophobicContact CG-CB 3.92Å; M595-W598 WeakPolarHBondContact O-CB 3.35Å; M595-W598 PolarHBondContact O-N 3.12Å; M595-W598 HydrophobicContact SD-CB 4.4Å; M595-W598 HydrophobicContact SD-CD2 3.9Å; M595-W598 HydrophobicContact SD-CG 3.82Å; M595-E600 HydrophobicContact CE-CB 3.47Å; M595-E600 VanDerWaalsContact CE-CB 3.47Å; M595-E600 HydrophobicContact CE-CG 3.78Å | ||
| 596 | T | 73.5 | Confident | 72.8 | Confident | 102.5 Ų | 102.5 | 62.5 Ų | 62.5 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125.7 | -178 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | R570 P594 W598 | R570-T596 PolarHBondContact NH1-O 2.79Å; P594-T596 HydrophobicContact CB-CG2 4.39Å; P594-T596 PolarHBondContact O-N 3.13Å; T596-W598 VanDerWaalsContact C-N 3.29Å; T596-W598 PolarHBondContact O-N 3.27Å |
| 597 | G | 74 | Confident | 72.9 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 17.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R570 M595 | R570-G597 PolarHBondContact NH1-O 3.46Å; R570-G597 VanDerWaalsContact NH1-O 3.17Å; R570-G597 PolarHBondContact NH2-O 2.91Å; M595-G597 PolarHBondContact O-N 3.05Å |
| 598 | W | 83.7 | Confident | 73.3 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.8 | 166.7 | -76.5 | 76.8 | 0 | 0 | 0 | 110.6 | V552 V554 I562 V566 A578 W580 W589 M595 T596 | V552-W598 HydrophobicContact CG1-CH2 4.3Å; V554-W598 HydrophobicContact CG2-CH2 4.09Å; V554-W598 HydrophobicContact CG2-CZ3 3.97Å; I562-W598 HydrophobicContact CG1-CH2 4.21Å; I562-W598 HydrophobicContact CG2-CH2 4.22Å; V566-W598 HydrophobicContact CB-CZ2 3.8Å; V566-W598 HydrophobicContact CG1-CZ2 4.13Å; V566-W598 HydrophobicContact CG2-CH2 3.96Å; V566-W598 HydrophobicContact CG2-CZ2 3.51Å; V566-W598 VanDerWaalsContact CG2-CZ2 3.4Å; A578-W598 HydrophobicContact CB-CD2 3.54Å; A578-W598 VanDerWaalsContact CB-CD2 3.49Å; A578-W598 HydrophobicContact CB-CE3 3.63Å; A578-W598 HydrophobicContact CB-CG 4.12Å; A578-W598 HydrophobicContact CB-CH2 4.07Å; A578-W598 HydrophobicContact CB-CZ2 3.98Å; A578-W598 HydrophobicContact CB-CZ3 3.9Å; A578-W598 WeakPolarHBondContact O-CA 3.43Å; W580-W598 HydrophobicContact CB-CE3 3.94Å; W580-W598 HydrophobicContact CB-CZ3 4.27Å; W589-W598 HydrophobicContact CH2-CB 4.13Å; W589-W598 AromaticContact CH2-CD1 3.89Å; W589-W598 AromaticContact CH2-CD2 3.57Å; W589-W598 HydrophobicContact CH2-CD2 3.57Å; W589-W598 AromaticContact CH2-CE2 3.82Å; W589-W598 AromaticContact CH2-CE3 4Å; W589-W598 HydrophobicContact CH2-CE3 4Å; W589-W598 AromaticContact CH2-CG 3.63Å; W589-W598 HydrophobicContact CH2-CG 3.63Å; W589-W598 HydrophobicContact CH2-CZ2 4.45Å; W589-W598 AromaticContact CH2-NE1 4Å; W589-W598 HydrophobicContact CZ2-CG 4.41Å; W589-W598 HydrophobicContact CZ3-CD2 4.17Å; W589-W598 HydrophobicContact CZ3-CE3 4.13Å; W589-W598 HydrophobicContact CZ3-CG 4.45Å; M595-W598 HydrophobicContact CB-CB 4.24Å; M595-W598 HydrophobicContact CB-CG 4.38Å; M595-W598 HydrophobicContact CE-CB 4.46Å; M595-W598 HydrophobicContact CG-CB 3.92Å; M595-W598 WeakPolarHBondContact O-CB 3.35Å; M595-W598 PolarHBondContact O-N 3.12Å; M595-W598 HydrophobicContact SD-CB 4.4Å; M595-W598 HydrophobicContact SD-CD2 3.9Å; M595-W598 HydrophobicContact SD-CG 3.82Å; T596-W598 VanDerWaalsContact C-N 3.29Å; T596-W598 PolarHBondContact O-N 3.27Å |
| 599 | I | 80.7 | Confident | 73.7 | Confident | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114 | 175.5 | -60.2 | 154.6 | 0 | 0 | 0 | 108.8 | T56 I59 A578 I579 W580 Y611 | T56-I599 HydrophobicContact CG2-CD1 3.72Å; T56-I599 HydrophobicContact CG2-CG1 3.95Å; I59-I599 HydrophobicContact CB-CG2 3.97Å; I59-I599 HydrophobicContact CD1-CG2 3.73Å; I59-I599 HydrophobicContact CG1-CG2 4.42Å; I59-I599 HydrophobicContact CG2-CG2 3.96Å; A578-I599 PolarHBondContact O-N 2.92Å; I579-I599 WeakPolarHBondContact CA-O 3.49Å; I579-I599 HydrophobicContact CG1-CB 4.21Å; I579-I599 HydrophobicContact CG1-CD1 3.96Å; W580-I599 PolarHBondContact N-O 3.07Å; I599-Y611 HydrophobicContact CD1-CE1 3.9Å; I599-Y611 HydrophobicContact CD1-CE2 3.97Å; I599-Y611 VanDerWaalsContact CD1-CZ 3.4Å; I599-Y611 VanDerWaalsContact CD1-OH 3.25Å; I599-Y611 WeakPolarHBondContact CD1-OH 3.41Å |
| 600 | E | 81 | Confident | 74 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.4 | 175.3 | -158.6 | -175.9 | 175.2 | 0 | 0 | 111.7 | W580 N582 M595 K602 | W580-E600 HydrophobicContact CD2-CG 4.44Å; W580-E600 HydrophobicContact CE3-CG 3.82Å; W580-E600 HydrophobicContact CZ3-CG 4.09Å; W580-E600 VanDerWaalsContact CZ3-OE1 3.24Å; W580-E600 WeakPolarHBondContact CZ3-OE1 3.34Å; W580-E600 CarbonylContact O-C 3.58Å; W580-E600 WeakPolarHBondContact O-CA 3.4Å; N582-E600 HydrophobicContact CB-CG 4.47Å; N582-E600 PolarHBondContact ND2-OE1 3.12Å; N582-E600 VanDerWaalsContact ND2-OE1 3.15Å; M595-E600 HydrophobicContact CE-CB 3.47Å; M595-E600 VanDerWaalsContact CE-CB 3.47Å; M595-E600 HydrophobicContact CE-CG 3.78Å; E600-K602 HydrophobicContact CG-CG 4.25Å; E600-K602 WeakPolarHBondContact OE1-CE 3.35Å; E600-K602 VanDerWaalsContact OE1-CG 3.26Å; E600-K602 WeakPolarHBondContact OE1-CG 3.29Å; E600-K602 IonicContact OE1-NZ 3.75Å; E600-K602 PolarHBondContact OE1-NZ 3.44Å; E600-K602 VanDerWaalsContact OE1-NZ 3.1Å; E600-K602 WeakPolarHBondContact OE2-CE 3.37Å; E600-K602 IonicContact OE2-NZ 3.22Å; E600-K602 PolarHBondContact OE2-NZ 2.88Å |
| 601 | S | 78.8 | Confident | 74.3 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.6 | 162.1 | 154.6 | 0 | 0 | 0 | 0 | 109.4 | I59 W580 N581 N582 V605 V608 | I59-S601 WeakPolarHBondContact CG2-OG 3.4Å; W580-S601 PolarHBondContact O-N 3.42Å; N581-S601 CarbonylContact C-O 3.57Å; N581-S601 WeakPolarHBondContact CA-O 3.36Å; N581-S601 PolarHBondContact OD1-O 3.4Å; N581-S601 PolarHBondContact OD1-OG 3.18Å; N582-S601 WeakPolarHBondContact CA-O 3.49Å; N582-S601 WeakPolarHBondContact CB-O 3.37Å; N582-S601 PolarHBondContact N-O 3.29Å; S601-V605 WeakPolarHBondContact OG-CG2 3.31Å; S601-V608 VanDerWaalsContact CB-CG2 3.42Å; S601-V608 WeakPolarHBondContact OG-CG2 3.31Å |
| 602 | K | 76 | Confident | 74.6 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.8 | 176.7 | -70 | -176.1 | 177.5 | 155 | 0 | 110.9 | N582 D587 E600 | N582-K602 HydrophobicContact CB-CG 4.4Å; D587-K602 WeakPolarHBondContact OD1-CE 3.34Å; D587-K602 IonicContact OD1-NZ 2.83Å; D587-K602 PolarHBondContact OD1-NZ 3.16Å; D587-K602 IonicContact OD2-NZ 2.73Å; D587-K602 PolarHBondContact OD2-NZ 2.88Å; E600-K602 HydrophobicContact CG-CG 4.25Å; E600-K602 WeakPolarHBondContact OE1-CE 3.35Å; E600-K602 VanDerWaalsContact OE1-CG 3.26Å; E600-K602 WeakPolarHBondContact OE1-CG 3.29Å; E600-K602 IonicContact OE1-NZ 3.75Å; E600-K602 PolarHBondContact OE1-NZ 3.44Å; E600-K602 VanDerWaalsContact OE1-NZ 3.1Å; E600-K602 WeakPolarHBondContact OE2-CE 3.37Å; E600-K602 IonicContact OE2-NZ 3.22Å; E600-K602 PolarHBondContact OE2-NZ 2.88Å |
| 603 | G | 68.9 | Low | 74.7 | Confident | 16.3333 Ų | 16.3333 | 48.2 Ų | 48.2 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 95.6 | -164.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N581 N582 V605 | N581-G603 PolarHBondContact OD1-O 3.44Å; N582-G603 PolarHBondContact O-N 2.85Å; G603-V605 VanDerWaalsContact C-N 3.32Å; G603-V605 PolarHBondContact O-N 3.27Å |
| 604 | L | 66.6 | Low | 74.7 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -98.9 | 66.7 | -170.7 | -68.4 | 165.6 | 0 | 0 | 0 | 110.9 | V3 F342 L455 Y459 L583 | V3-L604 HydrophobicContact CB-CD1 3.94Å; V3-L604 HydrophobicContact CG1-CD1 3.67Å; V3-L604 HydrophobicContact CG2-CD1 3.64Å; V3-L604 HydrophobicContact CG2-CG 4.17Å; F342-L604 HydrophobicContact CD2-CD2 3.95Å; F342-L604 HydrophobicContact CE1-CB 4.45Å; F342-L604 HydrophobicContact CE2-CB 3.81Å; F342-L604 HydrophobicContact CE2-CD1 3.76Å; F342-L604 HydrophobicContact CE2-CD2 3.44Å; F342-L604 VanDerWaalsContact CE2-CD2 3.44Å; F342-L604 HydrophobicContact CE2-CG 3.86Å; F342-L604 HydrophobicContact CZ-CB 3.69Å; F342-L604 HydrophobicContact CZ-CD1 3.91Å; F342-L604 HydrophobicContact CZ-CD2 4.22Å; F342-L604 HydrophobicContact CZ-CG 4.16Å; L455-L604 HydrophobicContact CD1-CD1 3.95Å; L455-L604 HydrophobicContact CD1-CD2 3.73Å; L455-L604 HydrophobicContact CD1-CG 4.16Å; L455-L604 HydrophobicContact CD2-CD2 3.69Å; L455-L604 HydrophobicContact CG-CD2 4.26Å; Y459-L604 HydrophobicContact CE2-CD2 4.22Å; L583-L604 HydrophobicContact CD2-CD2 4.39Å |
| 605 | V | 67 | Low | 74.4 | Confident | 62.6667 Ų | 62.6667 | 45.5 Ų | 45.5 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | trans | -112.3 | 130.3 | -178.3 | -141.3 | 0 | 0 | 0 | 0 | 110.5 | S601 G603 S607 | S601-V605 WeakPolarHBondContact OG-CG2 3.31Å; G603-V605 VanDerWaalsContact C-N 3.32Å; G603-V605 PolarHBondContact O-N 3.27Å; V605-S607 VanDerWaalsContact C-N 3.32Å; V605-S607 VanDerWaalsContact CG1-OG 3.27Å; V605-S607 WeakPolarHBondContact CG1-OG 3.48Å; V605-S607 PolarHBondContact O-N 2.77Å; V605-S607 VanDerWaalsContact O-N 3.14Å | ||
| 606 | D | 68.8 | Low | 74 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.8 | 178.1 | -34.7 | -20.1 | 0 | 0 | 0 | 112.9 | L340 F342 Y459 V608 F609 | L340-D606 HydrophobicContact CB-CB 4.48Å; L340-D606 WeakPolarHBondContact CB-OD2 3.24Å; L340-D606 HydrophobicContact CD1-CB 3.4Å; L340-D606 VanDerWaalsContact CD1-CB 3.4Å; F342-D606 WeakPolarHBondContact CB-OD1 3.48Å; F342-D606 WeakPolarHBondContact CB-OD2 3.19Å; Y459-D606 PolarHBondContact OH-OD1 3.36Å; D606-V608 PolarHBondContact O-N 2.93Å; D606-V608 VanDerWaalsContact O-N 3.12Å; D606-F609 HydrophobicContact CB-CD2 4.25Å; D606-F609 WeakPolarHBondContact O-CB 3.18Å; D606-F609 WeakPolarHBondContact O-CD2 3.44Å; D606-F609 PolarHBondContact O-N 3.02Å; D606-F609 VanDerWaalsContact O-N 3.11Å |
| 607 | S | 70.5 | Confident | 73.6 | Confident | 47.6667 Ų | 47.6667 | 45.7 Ų | 45.7 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.4 | -25.1 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | L58 V605 F609 K610 Y611 | L58-S607 WeakPolarHBondContact O-CB 3.3Å; L58-S607 PolarHBondContact O-OG 2.81Å; V605-S607 VanDerWaalsContact C-N 3.32Å; V605-S607 VanDerWaalsContact CG1-OG 3.27Å; V605-S607 WeakPolarHBondContact CG1-OG 3.48Å; V605-S607 PolarHBondContact O-N 2.77Å; V605-S607 VanDerWaalsContact O-N 3.14Å; S607-F609 VanDerWaalsContact C-N 3.32Å; S607-F609 PolarHBondContact O-N 3.32Å; S607-K610 WeakPolarHBondContact O-CB 3.39Å; S607-K610 PolarHBondContact O-N 3.1Å; S607-K610 VanDerWaalsContact O-N 3.1Å; S607-Y611 WeakPolarHBondContact O-CB 3.11Å; S607-Y611 PolarHBondContact O-N 3.13Å |
| 608 | V | 76.1 | Confident | 73.3 | Confident | 4.66667 Ų | 4.66667 | 49.7 Ų | 49.7 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.6 | -40.1 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | I59 I553 F555 I579 S601 D606 K610 Y611 L612 | I59-V608 HydrophobicContact CG1-CG2 4.43Å; I59-V608 HydrophobicContact CG2-CG2 4.24Å; I553-V608 HydrophobicContact CD1-CG1 3.86Å; F555-V608 HydrophobicContact CE1-CG1 4.47Å; I579-V608 HydrophobicContact CG2-CG1 4.4Å; S601-V608 VanDerWaalsContact CB-CG2 3.42Å; S601-V608 WeakPolarHBondContact OG-CG2 3.31Å; D606-V608 PolarHBondContact O-N 2.93Å; D606-V608 VanDerWaalsContact O-N 3.12Å; V608-K610 VanDerWaalsContact C-N 3.34Å; V608-K610 PolarHBondContact O-N 3.24Å; V608-Y611 WeakPolarHBondContact O-CB 3.44Å; V608-Y611 PolarHBondContact O-N 3.07Å; V608-L612 HydrophobicContact CG1-CD1 4.23Å; V608-L612 HydrophobicContact CG1-CG 4.5Å; V608-L612 WeakPolarHBondContact O-CB 3.35Å; V608-L612 WeakPolarHBondContact O-CD1 3.34Å; V608-L612 VanDerWaalsContact O-CG 3.28Å; V608-L612 WeakPolarHBondContact O-CG 3.39Å; V608-L612 PolarHBondContact O-N 3.03Å |
| 609 | F | 79 | Confident | 72.6 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 178 | -61.8 | -70.1 | 0 | 0 | 0 | 112.5 | L420 Y459 I462 F555 D606 S607 Y611 L612 S613 | L420-F609 HydrophobicContact CD1-CD2 4.42Å; L420-F609 HydrophobicContact CD1-CG 4.38Å; L420-F609 HydrophobicContact CD2-CB 3.79Å; L420-F609 HydrophobicContact CD2-CD2 4.4Å; L420-F609 HydrophobicContact CD2-CG 4.37Å; Y459-F609 AromaticContact CD1-CE2 3.61Å; Y459-F609 HydrophobicContact CD1-CE2 3.92Å; Y459-F609 AromaticContact CD1-CZ 3.69Å; Y459-F609 HydrophobicContact CD1-CZ 3.69Å; Y459-F609 VanDerWaalsContact CD1-CZ 3.43Å; Y459-F609 HydrophobicContact CD2-CE2 4.29Å; Y459-F609 AromaticContact CD2-CZ 3.99Å; Y459-F609 HydrophobicContact CD2-CZ 3.99Å; Y459-F609 AromaticContact CE1-CE2 3.51Å; Y459-F609 HydrophobicContact CE1-CE2 3.77Å; Y459-F609 AromaticContact CE1-CZ 3.88Å; Y459-F609 HydrophobicContact CE1-CZ 4.06Å; Y459-F609 HydrophobicContact CE2-CE2 4.13Å; Y459-F609 HydrophobicContact CE2-CZ 4.31Å; Y459-F609 HydrophobicContact CG-CE2 4.32Å; Y459-F609 AromaticContact CG-CZ 3.83Å; Y459-F609 HydrophobicContact CG-CZ 3.83Å; Y459-F609 AromaticContact CZ-CE2 3.97Å; I462-F609 HydrophobicContact CB-CE1 4.32Å; I462-F609 HydrophobicContact CB-CZ 4.3Å; I462-F609 HydrophobicContact CG2-CD1 4.24Å; I462-F609 HydrophobicContact CG2-CE1 3.68Å; I462-F609 HydrophobicContact CG2-CZ 3.87Å; F555-F609 HydrophobicContact CZ-CE1 4.49Å; D606-F609 HydrophobicContact CB-CD2 4.25Å; D606-F609 WeakPolarHBondContact O-CB 3.18Å; D606-F609 WeakPolarHBondContact O-CD2 3.44Å; D606-F609 PolarHBondContact O-N 3.02Å; D606-F609 VanDerWaalsContact O-N 3.11Å; S607-F609 VanDerWaalsContact C-N 3.32Å; S607-F609 PolarHBondContact O-N 3.32Å; F609-Y611 VanDerWaalsContact C-N 3.3Å; F609-Y611 PolarHBondContact O-N 2.86Å; F609-L612 HydrophobicContact CD1-CD1 4.3Å; F609-L612 WeakPolarHBondContact O-CB 3.34Å; F609-L612 PolarHBondContact O-N 2.92Å; F609-S613 PolarHBondContact O-N 3.14Å; F609-S613 VanDerWaalsContact O-N 3.09Å; F609-S613 PolarHBondContact O-OG 2.8Å |
| 610 | K | 74.9 | Confident | 72 | Confident | 104.333 Ų | 104.333 | 50.2 Ų | 50.2 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 172.9 | -95.4 | -175.7 | 176.8 | -175.1 | 0 | 110.7 | L96 S607 V608 L612 S613 L614 | L96-K610 PolarHBondContact O-NZ 3.47Å; S607-K610 WeakPolarHBondContact O-CB 3.39Å; S607-K610 PolarHBondContact O-N 3.1Å; S607-K610 VanDerWaalsContact O-N 3.1Å; V608-K610 VanDerWaalsContact C-N 3.34Å; V608-K610 PolarHBondContact O-N 3.24Å; K610-L612 VanDerWaalsContact C-N 3.32Å; K610-L612 PolarHBondContact O-N 2.96Å; K610-S613 PolarHBondContact O-N 3.13Å; K610-S613 VanDerWaalsContact O-N 3.13Å; K610-S613 PolarHBondContact O-OG 3.24Å; K610-L614 PolarHBondContact O-N 3.01Å |
| 611 | Y | 75.1 | Confident | 71.7 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 175 | -172.7 | -84.9 | 0 | 0 | 0 | 112.1 | S55 I59 I579 I599 S607 V608 F609 S613 L614 D617 L620 | S55-Y611 WeakPolarHBondContact O-CD2 3.26Å; S55-Y611 WeakPolarHBondContact OG-CE2 3.48Å; I59-Y611 HydrophobicContact CD1-CD1 3.77Å; I59-Y611 HydrophobicContact CD1-CD2 3.73Å; I59-Y611 HydrophobicContact CD1-CE1 4.41Å; I59-Y611 HydrophobicContact CD1-CE2 4.34Å; I59-Y611 HydrophobicContact CD1-CG 3.41Å; I59-Y611 VanDerWaalsContact CD1-CG 3.41Å; I59-Y611 HydrophobicContact CG1-CD2 4.43Å; I59-Y611 HydrophobicContact CG1-CG 4.31Å; I579-Y611 HydrophobicContact CD1-CD1 3.59Å; I579-Y611 VanDerWaalsContact CD1-CD1 3.41Å; I579-Y611 HydrophobicContact CD1-CE1 3.69Å; I579-Y611 VanDerWaalsContact CD1-CE1 3.42Å; I579-Y611 HydrophobicContact CG1-CD1 4.45Å; I579-Y611 HydrophobicContact CG1-CE1 4.27Å; I599-Y611 HydrophobicContact CD1-CE1 3.9Å; I599-Y611 HydrophobicContact CD1-CE2 3.97Å; I599-Y611 VanDerWaalsContact CD1-CZ 3.4Å; I599-Y611 VanDerWaalsContact CD1-OH 3.25Å; I599-Y611 WeakPolarHBondContact CD1-OH 3.41Å; S607-Y611 WeakPolarHBondContact O-CB 3.11Å; S607-Y611 PolarHBondContact O-N 3.13Å; V608-Y611 WeakPolarHBondContact O-CB 3.44Å; V608-Y611 PolarHBondContact O-N 3.07Å; F609-Y611 VanDerWaalsContact C-N 3.3Å; F609-Y611 PolarHBondContact O-N 2.86Å; Y611-S613 VanDerWaalsContact C-N 3.29Å; Y611-S613 PolarHBondContact O-N 3Å; Y611-L614 HydrophobicContact CD2-CD1 3.96Å; Y611-L614 HydrophobicContact CE2-CD1 4.5Å; Y611-L614 HydrophobicContact CG-CD1 4.38Å; Y611-L614 VanDerWaalsContact O-CB 3.23Å; Y611-L614 WeakPolarHBondContact O-CB 3.46Å; Y611-L614 WeakPolarHBondContact O-CG 3.41Å; Y611-L614 PolarHBondContact O-N 2.95Å; Y611-L614 VanDerWaalsContact O-N 3.12Å; Y611-D617 PolarHBondContact OH-OD1 3.4Å; Y611-L620 HydrophobicContact CD2-CD1 3.98Å; Y611-L620 HydrophobicContact CD2-CD2 3.75Å; Y611-L620 HydrophobicContact CD2-CG 4.49Å; Y611-L620 HydrophobicContact CE2-CD1 3.22Å; Y611-L620 HydrophobicContact CE2-CD2 3.67Å; Y611-L620 HydrophobicContact CE2-CG 4.02Å; Y611-L620 VanDerWaalsContact OH-CD1 3.32Å; Y611-L620 WeakPolarHBondContact OH-CD1 3.21Å |
| 612 | L | 76.3 | Confident | 71.4 | Confident | 0.666667 Ų | 0.666667 | 54.6 Ų | 54.6 | 0% | 0.003 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -30.8 | 177.2 | -72.3 | 169 | 0 | 0 | 0 | 113.7 | I423 K551 I553 I579 V608 F609 K610 L614 | I423-L612 HydrophobicContact CD1-CB 3.65Å; I423-L612 HydrophobicContact CD1-CD1 4.13Å; I423-L612 HydrophobicContact CD1-CG 4.43Å; I423-L612 HydrophobicContact CG1-CB 4.04Å; K551-L612 HydrophobicContact CB-CD2 4.48Å; K551-L612 HydrophobicContact CD-CD2 4.04Å; K551-L612 PolarHBondContact NZ-O 2.94Å; I553-L612 HydrophobicContact CD1-CD1 3.36Å; I553-L612 VanDerWaalsContact CD1-CD1 3.48Å; I553-L612 HydrophobicContact CD1-CD2 3.52Å; I553-L612 VanDerWaalsContact CD1-CD2 3.42Å; I553-L612 HydrophobicContact CD1-CG 3.89Å; I553-L612 HydrophobicContact CG1-CD1 4.13Å; I553-L612 HydrophobicContact CG1-CD2 3.95Å; I579-L612 HydrophobicContact CD1-CD2 3.6Å; I579-L612 HydrophobicContact CD1-CG 4.31Å; V608-L612 HydrophobicContact CG1-CD1 4.23Å; V608-L612 HydrophobicContact CG1-CG 4.5Å; V608-L612 WeakPolarHBondContact O-CB 3.35Å; V608-L612 WeakPolarHBondContact O-CD1 3.34Å; V608-L612 VanDerWaalsContact O-CG 3.28Å; V608-L612 WeakPolarHBondContact O-CG 3.39Å; V608-L612 PolarHBondContact O-N 3.03Å; F609-L612 HydrophobicContact CD1-CD1 4.3Å; F609-L612 WeakPolarHBondContact O-CB 3.34Å; F609-L612 PolarHBondContact O-N 2.92Å; K610-L612 VanDerWaalsContact C-N 3.32Å; K610-L612 PolarHBondContact O-N 2.96Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.16Å |
| 613 | S | 76.6 | Confident | 71.2 | Confident | 31.6667 Ų | 31.6667 | 54.2 Ų | 54.2 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.8 | -13.7 | 178 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | S421 F609 K610 Y611 | S421-S613 WeakPolarHBondContact CB-OG 3.31Å; F609-S613 PolarHBondContact O-N 3.14Å; F609-S613 VanDerWaalsContact O-N 3.09Å; F609-S613 PolarHBondContact O-OG 2.8Å; K610-S613 PolarHBondContact O-N 3.13Å; K610-S613 VanDerWaalsContact O-N 3.13Å; K610-S613 PolarHBondContact O-OG 3.24Å; Y611-S613 VanDerWaalsContact C-N 3.29Å; Y611-S613 PolarHBondContact O-N 3Å |
| 614 | L | 73.2 | Confident | 71.5 | Confident | 22.3333 Ų | 22.3333 | 56.9 Ų | 56.9 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | trans | -71.9 | 131.5 | 176.9 | -65.6 | 170.5 | 0 | 0 | 0 | 110 | Y91 L96 K551 K610 Y611 L612 C619 L620 | Y91-L614 HydrophobicContact CE1-CD2 4.32Å; L96-L614 HydrophobicContact CD1-CD2 4.45Å; L96-L614 HydrophobicContact CD2-CD2 3.81Å; K551-L614 PolarHBondContact NZ-O 3.33Å; K610-L614 PolarHBondContact O-N 3.01Å; Y611-L614 HydrophobicContact CD2-CD1 3.96Å; Y611-L614 HydrophobicContact CE2-CD1 4.5Å; Y611-L614 HydrophobicContact CG-CD1 4.38Å; Y611-L614 VanDerWaalsContact O-CB 3.23Å; Y611-L614 WeakPolarHBondContact O-CB 3.46Å; Y611-L614 WeakPolarHBondContact O-CG 3.41Å; Y611-L614 PolarHBondContact O-N 2.95Å; Y611-L614 VanDerWaalsContact O-N 3.12Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.16Å; L614-C619 HydrophobicContact CD2-CB 4.18Å; L614-L620 HydrophobicContact CB-CD1 4.02Å; L614-L620 HydrophobicContact CB-CD2 4.39Å; L614-L620 HydrophobicContact CD1-CD1 4.35Å; L614-L620 HydrophobicContact CD1-CD2 3.37Å; L614-L620 HydrophobicContact CD1-CG 3.7Å; L614-L620 HydrophobicContact CD2-CD2 3.98Å | ||
| 615 | P | 66.6 | Low | 72 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -63.1 | -83.7 | 176.8 | 9.4 | -11.1 | 0 | 0 | 0 | 111.3 | K577 C619 L620 | K577-P615 PolarHBondContact NZ-O 3.01Å; P615-C619 HydrophobicContact CB-CB 4.01Å; P615-L620 HydrophobicContact CB-CG 4.2Å; P615-L620 HydrophobicContact CG-CD2 4.26Å; P615-L620 HydrophobicContact CG-CG 4.37Å; P615-L620 VanDerWaalsContact O-CD1 3.26Å; P615-L620 WeakPolarHBondContact O-CD1 3.37Å |
| 616 | D | 66.9 | Low | 72.4 | Confident | 98.6667 Ų | 98.6667 | 60.5 Ų | 60.5 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | trans | -104.2 | 152.9 | -179.2 | -73 | -31.4 | 0 | 0 | 0 | 113.6 | K577 K618 C619 L620 | K577-D616 IonicContact NZ-OD1 3.18Å; K577-D616 PolarHBondContact NZ-OD1 2.9Å; D616-K618 PolarHBondContact O-N 3.2Å; D616-C619 WeakPolarHBondContact O-CB 3.24Å; D616-C619 PolarHBondContact O-N 3.24Å; D616-L620 PolarHBondContact O-N 3.09Å | ||
| 617 | D | 66.1 | Low | 72.7 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -28.8 | -178 | -68.1 | -6.1 | 0 | 0 | 0 | 111.9 | R48 K577 Y611 C619 L620 V621 | R48-D617 HydrophobicContact CG-CB 3.7Å; K577-D617 WeakPolarHBondContact CE-OD1 3.13Å; K577-D617 WeakPolarHBondContact CE-OD2 3.43Å; K577-D617 IonicContact NZ-OD1 3.08Å; K577-D617 PolarHBondContact NZ-OD1 3.16Å; K577-D617 IonicContact NZ-OD2 2.64Å; K577-D617 PolarHBondContact NZ-OD2 3.41Å; Y611-D617 PolarHBondContact OH-OD1 3.4Å; D617-C619 VanDerWaalsContact C-N 3.27Å; D617-C619 PolarHBondContact O-N 3.06Å; D617-L620 WeakPolarHBondContact O-CB 3.29Å; D617-L620 PolarHBondContact O-N 3.16Å; D617-V621 WeakPolarHBondContact O-CG2 3.26Å; D617-V621 PolarHBondContact O-N 3.37Å; D617-V621 VanDerWaalsContact O-N 3.14Å |
| 618 | K | 67.4 | Low | 72.7 | Confident | 138.667 Ų | 138.667 | 60.7 Ų | 60.7 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.6 | -41.5 | 172.6 | -66.2 | -163.3 | 176.2 | -175.7 | 0 | 112.6 | F44 D616 L620 V621 E622 D861 | F44-K618 HydrophobicContact CE1-CB 4.23Å; F44-K618 HydrophobicContact CE1-CD 3.99Å; F44-K618 HydrophobicContact CE1-CG 3.66Å; F44-K618 VanDerWaalsContact CZ-CA 3.42Å; F44-K618 HydrophobicContact CZ-CB 3.6Å; F44-K618 HydrophobicContact CZ-CD 3.98Å; F44-K618 HydrophobicContact CZ-CG 3.56Å; D616-K618 PolarHBondContact O-N 3.2Å; K618-L620 VanDerWaalsContact C-N 3.3Å; K618-L620 PolarHBondContact O-N 3.03Å; K618-V621 WeakPolarHBondContact O-CB 3.43Å; K618-V621 PolarHBondContact O-N 3.27Å; K618-V621 VanDerWaalsContact O-N 3.13Å; K618-E622 WeakPolarHBondContact O-CG 3.42Å; K618-E622 PolarHBondContact O-N 3.29Å; K618-D861 IonicContact NZ-OD1 3.22Å; K618-D861 PolarHBondContact NZ-OD1 3.04Å; K618-D861 IonicContact NZ-OD2 2.72Å; K618-D861 PolarHBondContact NZ-OD2 2.87Å |
| 619 | C | 68.2 | Low | 72.6 | Confident | 42.3333 Ų | 42.3333 | 67.1 Ų | 67.1 | 29% | 0.286 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.5 | -25.2 | 179.1 | -135.1 | 0 | 0 | 0 | 0 | 112.3 | L614 P615 D616 D617 Q623 | L614-C619 HydrophobicContact CD2-CB 4.18Å; P615-C619 HydrophobicContact CB-CB 4.01Å; D616-C619 WeakPolarHBondContact O-CB 3.24Å; D616-C619 PolarHBondContact O-N 3.24Å; D617-C619 VanDerWaalsContact C-N 3.27Å; D617-C619 PolarHBondContact O-N 3.06Å; C619-Q623 WeakPolarHBondContact O-CB 3.45Å; C619-Q623 VanDerWaalsContact O-CG 3.3Å; C619-Q623 WeakPolarHBondContact O-CG 3.33Å; C619-Q623 PolarHBondContact O-N 3.36Å |
| 620 | L | 68.2 | Low | 72.2 | Confident | 27.3333 Ų | 27.3333 | 71.5 Ų | 71.5 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.2 | -43.8 | 171.7 | -75.1 | 163.2 | 0 | 0 | 0 | 111.7 | V51 Y91 Y611 L614 P615 D616 D617 K618 E622 Q623 I624 | V51-L620 HydrophobicContact CG1-CD1 4.38Å; Y91-L620 VanDerWaalsContact OH-CD2 3.27Å; Y91-L620 WeakPolarHBondContact OH-CD2 3.48Å; Y611-L620 HydrophobicContact CD2-CD1 3.98Å; Y611-L620 HydrophobicContact CD2-CD2 3.75Å; Y611-L620 HydrophobicContact CD2-CG 4.49Å; Y611-L620 HydrophobicContact CE2-CD1 3.22Å; Y611-L620 HydrophobicContact CE2-CD2 3.67Å; Y611-L620 HydrophobicContact CE2-CG 4.02Å; Y611-L620 VanDerWaalsContact OH-CD1 3.32Å; Y611-L620 WeakPolarHBondContact OH-CD1 3.21Å; L614-L620 HydrophobicContact CB-CD1 4.02Å; L614-L620 HydrophobicContact CB-CD2 4.39Å; L614-L620 HydrophobicContact CD1-CD1 4.35Å; L614-L620 HydrophobicContact CD1-CD2 3.37Å; L614-L620 HydrophobicContact CD1-CG 3.7Å; L614-L620 HydrophobicContact CD2-CD2 3.98Å; P615-L620 HydrophobicContact CB-CG 4.2Å; P615-L620 HydrophobicContact CG-CD2 4.26Å; P615-L620 HydrophobicContact CG-CG 4.37Å; P615-L620 VanDerWaalsContact O-CD1 3.26Å; P615-L620 WeakPolarHBondContact O-CD1 3.37Å; D616-L620 PolarHBondContact O-N 3.09Å; D617-L620 WeakPolarHBondContact O-CB 3.29Å; D617-L620 PolarHBondContact O-N 3.16Å; K618-L620 VanDerWaalsContact C-N 3.3Å; K618-L620 PolarHBondContact O-N 3.03Å; L620-E622 VanDerWaalsContact C-N 3.32Å; L620-E622 PolarHBondContact O-N 3.36Å; L620-Q623 PolarHBondContact O-N 2.99Å; L620-I624 WeakPolarHBondContact O-CB 3.44Å; L620-I624 WeakPolarHBondContact O-CD1 3.47Å; L620-I624 VanDerWaalsContact O-CG1 3.3Å; L620-I624 WeakPolarHBondContact O-CG1 3.4Å; L620-I624 PolarHBondContact O-N 3.09Å |
| 621 | V | 73.8 | Confident | 72 | Confident | 54.3333 Ų | 54.3333 | 73.1 Ų | 73.1 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | F44 K47 R48 F84 D617 K618 Q623 I624 D625 | F44-V621 HydrophobicContact CD2-CB 4.4Å; F44-V621 HydrophobicContact CD2-CG1 3.97Å; F44-V621 HydrophobicContact CE2-CB 3.96Å; F44-V621 HydrophobicContact CE2-CG1 3.98Å; K47-V621 HydrophobicContact CB-CG1 3.72Å; K47-V621 HydrophobicContact CB-CG2 4.08Å; K47-V621 HydrophobicContact CD-CG1 3.73Å; K47-V621 HydrophobicContact CG-CG1 4.37Å; R48-V621 HydrophobicContact CB-CG2 4.3Å; F84-V621 HydrophobicContact CZ-CG1 4.4Å; D617-V621 WeakPolarHBondContact O-CG2 3.26Å; D617-V621 PolarHBondContact O-N 3.37Å; D617-V621 VanDerWaalsContact O-N 3.14Å; K618-V621 WeakPolarHBondContact O-CB 3.43Å; K618-V621 PolarHBondContact O-N 3.27Å; K618-V621 VanDerWaalsContact O-N 3.13Å; V621-Q623 VanDerWaalsContact C-N 3.33Å; V621-Q623 PolarHBondContact O-N 3.13Å; V621-Q623 VanDerWaalsContact O-N 3.13Å; V621-I624 CarbonylContact O-C 3.6Å; V621-I624 WeakPolarHBondContact O-CA 3.39Å; V621-I624 WeakPolarHBondContact O-CB 3.47Å; V621-I624 PolarHBondContact O-N 3.09Å; V621-I624 VanDerWaalsContact O-N 3.1Å; V621-D625 WeakPolarHBondContact CG1-OD2 3.39Å; V621-D625 WeakPolarHBondContact O-CB 3.34Å; V621-D625 PolarHBondContact O-N 3.08Å |
| 622 | E | 74.1 | Confident | 71.5 | Confident | 105.333 Ų | 105.333 | 79.3 Ų | 79.3 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -37.8 | 174.5 | -71.6 | 176.2 | -162 | 0 | 0 | 113.4 | K618 L620 D625 K626 | K618-E622 WeakPolarHBondContact O-CG 3.42Å; K618-E622 PolarHBondContact O-N 3.29Å; L620-E622 VanDerWaalsContact C-N 3.32Å; L620-E622 PolarHBondContact O-N 3.36Å; E622-D625 PolarHBondContact O-N 3Å; E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.26Å; E622-K626 WeakPolarHBondContact O-CD 3.2Å; E622-K626 VanDerWaalsContact O-CG 3.27Å; E622-K626 WeakPolarHBondContact O-CG 3.32Å; E622-K626 PolarHBondContact O-N 3.23Å; E622-K626 VanDerWaalsContact O-N 3.15Å; E622-K626 IonicContact OE2-NZ 2.73Å |
| 623 | Q | 71.2 | Confident | 70.9 | Confident | 93.6667 Ų | 93.6667 | 83.3 Ų | 83.3 | 44% | 0.438 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 175.6 | -83.7 | -177.7 | 3.9 | 0 | 0 | 112.4 | C619 L620 V621 K626 I627 | C619-Q623 WeakPolarHBondContact O-CB 3.45Å; C619-Q623 VanDerWaalsContact O-CG 3.3Å; C619-Q623 WeakPolarHBondContact O-CG 3.33Å; C619-Q623 PolarHBondContact O-N 3.36Å; L620-Q623 PolarHBondContact O-N 2.99Å; V621-Q623 VanDerWaalsContact C-N 3.33Å; V621-Q623 PolarHBondContact O-N 3.13Å; V621-Q623 VanDerWaalsContact O-N 3.13Å; Q623-K626 CarbonylContact O-C 3.54Å; Q623-K626 PolarHBondContact O-N 3.38Å; Q623-I627 WeakPolarHBondContact O-CG1 3.44Å; Q623-I627 PolarHBondContact O-N 3.26Å |
| 624 | I | 74.7 | Confident | 69.7 | Low | 72 Ų | 72 | 87.7 Ų | 87.7 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 176.5 | -68.7 | 164.7 | 0 | 0 | 0 | 109.7 | V51 F84 K87 I88 Y91 L620 V621 K626 I627 | V51-I624 HydrophobicContact CB-CD1 4.49Å; V51-I624 HydrophobicContact CG1-CD1 4Å; V51-I624 HydrophobicContact CG2-CD1 3.58Å; F84-I624 HydrophobicContact CD2-CG2 4.03Å; F84-I624 HydrophobicContact CE2-CB 4.03Å; F84-I624 HydrophobicContact CE2-CG2 3.43Å; F84-I624 VanDerWaalsContact CE2-CG2 3.43Å; F84-I624 HydrophobicContact CZ-CB 4.47Å; F84-I624 HydrophobicContact CZ-CG2 3.98Å; K87-I624 HydrophobicContact CB-CG2 3.86Å; I88-I624 HydrophobicContact CG1-CG2 3.9Å; Y91-I624 HydrophobicContact CD1-CD1 4.46Å; Y91-I624 HydrophobicContact CD1-CG1 4.36Å; Y91-I624 HydrophobicContact CD2-CD1 4.49Å; Y91-I624 HydrophobicContact CD2-CG1 3.6Å; Y91-I624 HydrophobicContact CE2-CG1 4.12Å; Y91-I624 HydrophobicContact CG-CD1 4.33Å; Y91-I624 HydrophobicContact CG-CG1 3.77Å; L620-I624 WeakPolarHBondContact O-CB 3.44Å; L620-I624 WeakPolarHBondContact O-CD1 3.47Å; L620-I624 VanDerWaalsContact O-CG1 3.3Å; L620-I624 WeakPolarHBondContact O-CG1 3.4Å; L620-I624 PolarHBondContact O-N 3.09Å; V621-I624 CarbonylContact O-C 3.6Å; V621-I624 WeakPolarHBondContact O-CA 3.39Å; V621-I624 WeakPolarHBondContact O-CB 3.47Å; V621-I624 PolarHBondContact O-N 3.09Å; V621-I624 VanDerWaalsContact O-N 3.1Å; I624-K626 VanDerWaalsContact C-N 3.27Å; I624-K626 PolarHBondContact O-N 2.98Å; I624-I627 HydrophobicContact CG1-CD1 4.35Å; I624-I627 VanDerWaalsContact O-CB 3.25Å; I624-I627 WeakPolarHBondContact O-CB 3.35Å; I624-I627 WeakPolarHBondContact O-CG1 3.29Å; I624-I627 WeakPolarHBondContact O-CG2 3.29Å; I624-I627 PolarHBondContact O-N 3.09Å |
| 625 | D | 76.4 | Confident | 68.2 | Low | 90 Ų | 90 | 91.9 Ų | 91.9 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 178 | -69.6 | -19.3 | 0 | 0 | 0 | 111.7 | K47 F84 K87 V621 E622 I627 | K47-D625 VanDerWaalsContact NZ-CG 3.29Å; K47-D625 IonicContact NZ-OD1 2.73Å; K47-D625 PolarHBondContact NZ-OD1 3.39Å; K47-D625 IonicContact NZ-OD2 3.67Å; K47-D625 PolarHBondContact NZ-OD2 2.97Å; K47-D625 VanDerWaalsContact NZ-OD2 3.12Å; F84-D625 WeakPolarHBondContact CD2-OD1 3.29Å; F84-D625 WeakPolarHBondContact CE2-OD1 3.26Å; K87-D625 PolarHBondContact NZ-O 3.13Å; V621-D625 WeakPolarHBondContact CG1-OD2 3.39Å; V621-D625 WeakPolarHBondContact O-CB 3.34Å; V621-D625 PolarHBondContact O-N 3.08Å; E622-D625 PolarHBondContact O-N 3Å; D625-I627 VanDerWaalsContact C-N 3.33Å; D625-I627 PolarHBondContact O-N 3.29Å |
| 626 | K | 76.1 | Confident | 66.8 | Low | 108.333 Ų | 108.333 | 95.1 Ų | 95.1 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.5 | 176.6 | -65.9 | 178.6 | 180 | 173.2 | 0 | 114.4 | E622 Q623 I624 D628 E629 T630 | E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.26Å; E622-K626 WeakPolarHBondContact O-CD 3.2Å; E622-K626 VanDerWaalsContact O-CG 3.27Å; E622-K626 WeakPolarHBondContact O-CG 3.32Å; E622-K626 PolarHBondContact O-N 3.23Å; E622-K626 VanDerWaalsContact O-N 3.15Å; E622-K626 IonicContact OE2-NZ 2.73Å; Q623-K626 CarbonylContact O-C 3.54Å; Q623-K626 PolarHBondContact O-N 3.38Å; I624-K626 VanDerWaalsContact C-N 3.27Å; I624-K626 PolarHBondContact O-N 2.98Å; K626-D628 VanDerWaalsContact C-N 3.32Å; K626-D628 PolarHBondContact O-N 3.05Å; K626-E629 WeakPolarHBondContact O-CB 3.48Å; K626-E629 PolarHBondContact O-N 3.3Å; K626-T630 WeakPolarHBondContact O-CB 3.39Å; K626-T630 PolarHBondContact O-N 2.9Å; K626-T630 VanDerWaalsContact O-N 3.15Å; K626-T630 PolarHBondContact O-OG1 3.18Å |
| 627 | I | 74.7 | Confident | 65.3 | Low | 46.3333 Ų | 46.3333 | 99 Ų | 99 | 24% | 0.238 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | -179.2 | -108.9 | 170.6 | 0 | 0 | 0 | 111.1 | K87 L90 Y91 L95 Q623 I624 D625 E629 T630 Y631 L633 | K87-I627 HydrophobicContact CB-CG2 3.75Å; K87-I627 HydrophobicContact CD-CG2 4.35Å; K87-I627 HydrophobicContact CG-CG2 3.93Å; L90-I627 HydrophobicContact CB-CD1 4.24Å; L90-I627 HydrophobicContact CD2-CD1 4.28Å; L90-I627 HydrophobicContact CD2-CG1 4.1Å; L90-I627 HydrophobicContact CD2-CG2 4.16Å; L90-I627 HydrophobicContact CG-CD1 4.08Å; L90-I627 HydrophobicContact CG-CG1 4.42Å; Y91-I627 HydrophobicContact CD2-CD1 4.05Å; Y91-I627 HydrophobicContact CG-CD1 4.31Å; L95-I627 HydrophobicContact CD1-CD1 4.27Å; Q623-I627 WeakPolarHBondContact O-CG1 3.44Å; Q623-I627 PolarHBondContact O-N 3.26Å; I624-I627 HydrophobicContact CG1-CD1 4.35Å; I624-I627 VanDerWaalsContact O-CB 3.25Å; I624-I627 WeakPolarHBondContact O-CB 3.35Å; I624-I627 WeakPolarHBondContact O-CG1 3.29Å; I624-I627 WeakPolarHBondContact O-CG2 3.29Å; I624-I627 PolarHBondContact O-N 3.09Å; D625-I627 VanDerWaalsContact C-N 3.33Å; D625-I627 PolarHBondContact O-N 3.29Å; I627-E629 VanDerWaalsContact C-N 3.34Å; I627-E629 PolarHBondContact O-N 3.14Å; I627-T630 WeakPolarHBondContact O-CB 3.1Å; I627-T630 PolarHBondContact O-N 3.06Å; I627-Y631 HydrophobicContact CD1-CE2 4.22Å; I627-Y631 HydrophobicContact CG1-CD2 4.13Å; I627-Y631 HydrophobicContact CG1-CE2 4.13Å; I627-Y631 HydrophobicContact CG2-CD2 4.08Å; I627-Y631 WeakPolarHBondContact O-CB 3.42Å; I627-Y631 WeakPolarHBondContact O-CD2 3.34Å; I627-Y631 PolarHBondContact O-N 3.1Å; I627-Y631 VanDerWaalsContact O-N 3.11Å; I627-L633 HydrophobicContact CG2-CD1 4.19Å |
| 628 | D | 70.9 | Confident | 63.7 | Low | 52.3333 Ų | 52.3333 | 103.3 Ų | 103.3 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | -179.7 | -37.4 | -19.3 | 0 | 0 | 0 | 112.3 | K87 K121 Y122 K626 T630 Y631 Q632 L633 N634 | K87-D628 WeakPolarHBondContact CE-OD1 3.34Å; K87-D628 WeakPolarHBondContact CE-OD2 3.37Å; K87-D628 VanDerWaalsContact NZ-CG 3.32Å; K87-D628 IonicContact NZ-OD1 2.71Å; K87-D628 PolarHBondContact NZ-OD1 3.03Å; K87-D628 IonicContact NZ-OD2 2.97Å; K87-D628 PolarHBondContact NZ-OD2 2.7Å; K121-D628 IonicContact NZ-OD2 3.8Å; K121-D628 PolarHBondContact NZ-OD2 3.37Å; Y122-D628 HydrophobicContact CE1-CB 4.29Å; Y122-D628 WeakPolarHBondContact OH-CB 3.29Å; K626-D628 VanDerWaalsContact C-N 3.32Å; K626-D628 PolarHBondContact O-N 3.05Å; D628-T630 VanDerWaalsContact C-N 3.34Å; D628-Y631 CarbonylContact O-C 3.4Å; D628-Y631 PolarHBondContact O-N 3.03Å; D628-Q632 CarbonylContact O-C 3.45Å; D628-Q632 WeakPolarHBondContact O-CA 3.26Å; D628-Q632 PolarHBondContact O-N 3.37Å; D628-L633 HydrophobicContact CB-CB 4.17Å; D628-L633 HydrophobicContact CB-CD1 4.45Å; D628-L633 PolarHBondContact O-N 3.14Å; D628-L633 VanDerWaalsContact O-N 3.14Å; D628-N634 HydrophobicContact CB-CB 4.32Å; D628-N634 PolarHBondContact OD2-ND2 3.18Å |
| 629 | E | 74 | Confident | 62.1 | Low | 139 Ų | 139 | 101.8 Ų | 101.8 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -45.9 | 170.8 | -60.3 | -179.5 | 170.2 | 0 | 0 | 111.2 | K626 I627 Y631 Q632 | K626-E629 WeakPolarHBondContact O-CB 3.48Å; K626-E629 PolarHBondContact O-N 3.3Å; I627-E629 VanDerWaalsContact C-N 3.34Å; I627-E629 PolarHBondContact O-N 3.14Å; E629-Y631 VanDerWaalsContact C-N 3.29Å; E629-Y631 PolarHBondContact O-N 3.01Å; E629-Q632 PolarHBondContact O-N 3.03Å; E629-Q632 VanDerWaalsContact O-N 3.15Å |
| 630 | T | 70.2 | Confident | 60.5 | Low | 99.3333 Ų | 99.3333 | 104.3 Ų | 104.3 | 61% | 0.609 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -35.4 | -175.8 | -50.2 | 0 | 0 | 0 | 0 | 112 | K626 I627 D628 | K626-T630 WeakPolarHBondContact O-CB 3.39Å; K626-T630 PolarHBondContact O-N 2.9Å; K626-T630 VanDerWaalsContact O-N 3.15Å; K626-T630 PolarHBondContact O-OG1 3.18Å; I627-T630 WeakPolarHBondContact O-CB 3.1Å; I627-T630 PolarHBondContact O-N 3.06Å; D628-T630 VanDerWaalsContact C-N 3.34Å |
| 631 | Y | 70.4 | Confident | 58.7 | Low | 137.667 Ų | 137.667 | 108.2 Ų | 108.2 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.6 | 6.5 | 179.3 | -68.3 | -77.9 | 0 | 0 | 0 | 113.7 | L90 K94 I627 D628 E629 L633 | L90-Y631 HydrophobicContact CD2-CD2 3.98Å; L90-Y631 HydrophobicContact CD2-CG 4.49Å; K94-Y631 HydrophobicContact CB-CE1 4.41Å; K94-Y631 HydrophobicContact CB-CE2 4.19Å; K94-Y631 VanDerWaalsContact CB-OH 3.3Å; K94-Y631 WeakPolarHBondContact CB-OH 3.42Å; K94-Y631 HydrophobicContact CD-CE1 4.29Å; K94-Y631 HydrophobicContact CG-CE1 4.2Å; K94-Y631 HydrophobicContact CG-CE2 4.31Å; I627-Y631 HydrophobicContact CD1-CE2 4.22Å; I627-Y631 HydrophobicContact CG1-CD2 4.13Å; I627-Y631 HydrophobicContact CG1-CE2 4.13Å; I627-Y631 HydrophobicContact CG2-CD2 4.08Å; I627-Y631 WeakPolarHBondContact O-CB 3.42Å; I627-Y631 WeakPolarHBondContact O-CD2 3.34Å; I627-Y631 PolarHBondContact O-N 3.1Å; I627-Y631 VanDerWaalsContact O-N 3.11Å; D628-Y631 CarbonylContact O-C 3.4Å; D628-Y631 PolarHBondContact O-N 3.03Å; E629-Y631 VanDerWaalsContact C-N 3.29Å; E629-Y631 PolarHBondContact O-N 3.01Å; Y631-L633 VanDerWaalsContact C-N 3.31Å; Y631-L633 PolarHBondContact O-N 3.1Å; Y631-L633 VanDerWaalsContact O-N 3.09Å |
| 632 | Q | 65 | Low | 56.6 | Low | 166.333 Ų | 166.333 | 112.7 Ų | 112.7 | 78% | 0.777 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.7 | 39.8 | 178.6 | -59 | 179 | -10.1 | 0 | 0 | 113.4 | D628 E629 N634 | D628-Q632 CarbonylContact O-C 3.45Å; D628-Q632 WeakPolarHBondContact O-CA 3.26Å; D628-Q632 PolarHBondContact O-N 3.37Å; E629-Q632 PolarHBondContact O-N 3.03Å; E629-Q632 VanDerWaalsContact O-N 3.15Å; Q632-N634 VanDerWaalsContact C-N 3.31Å; Q632-N634 PolarHBondContact O-N 2.97Å |
| 633 | L | 64.8 | Low | 54.5 | Low | 84 Ų | 84 | 112.2 Ų | 112.2 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | trans | -78.9 | 0.5 | -172.3 | -65.2 | 173.9 | 0 | 0 | 0 | 112.1 | L90 K121 Y122 A125 I627 D628 Y631 | L90-L633 HydrophobicContact CD2-CD1 3.69Å; K121-L633 WeakPolarHBondContact CE-O 3.3Å; K121-L633 HydrophobicContact CG-CB 4.05Å; Y122-L633 HydrophobicContact CD1-CD1 3.76Å; Y122-L633 HydrophobicContact CE1-CD1 3.76Å; A125-L633 HydrophobicContact CB-CD1 4.49Å; A125-L633 HydrophobicContact CB-CD2 4.28Å; I627-L633 HydrophobicContact CG2-CD1 4.19Å; D628-L633 HydrophobicContact CB-CB 4.17Å; D628-L633 HydrophobicContact CB-CD1 4.45Å; D628-L633 PolarHBondContact O-N 3.14Å; D628-L633 VanDerWaalsContact O-N 3.14Å; Y631-L633 VanDerWaalsContact C-N 3.31Å; Y631-L633 PolarHBondContact O-N 3.1Å; Y631-L633 VanDerWaalsContact O-N 3.09Å | ||
| 634 | N | 51.8 | Low | 52.4 | Low | 124.333 Ų | 124.333 | 113.3 Ų | 113.3 | 67% | 0.665 | 58% | 0.583 | S | S | * | * | trans | -87.5 | 93.2 | -175.4 | -67.4 | -16.7 | 0 | 0 | 0 | 112.6 | D628 Q632 M636 | D628-N634 HydrophobicContact CB-CB 4.32Å; D628-N634 PolarHBondContact OD2-ND2 3.18Å; Q632-N634 VanDerWaalsContact C-N 3.31Å; Q632-N634 PolarHBondContact O-N 2.97Å; N634-M636 PolarHBondContact O-N 3.37Å | ||
| 635 | S | 40.5 | Very low | 50.2 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -86.4 | 66.3 | 166.3 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 636 | M | 37.8 | Very low | 47.9 | Very low | 144 Ų | 144 | 114.8 Ų | 114.8 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | trans | -119.5 | 121.4 | 166.2 | -95.6 | -169.1 | 163.4 | 0 | 0 | 109.3 | K120 N634 D638 | K120-M636 HydrophobicContact CD-CE 3.91Å; K120-M636 HydrophobicContact CD-SD 4.47Å; N634-M636 PolarHBondContact O-N 3.37Å; M636-D638 VanDerWaalsContact C-N 3.33Å; M636-D638 PolarHBondContact O-N 2.84Å | ||
| 637 | F | 35.2 | Very low | 45.7 | Very low | 180 Ų | 180 | 114.2 Ų | 114.2 | 79% | 0.789 | 61% | 0.613 | S | S | * | * | trans | -3.5 | 104.5 | 163.1 | -66.9 | -89.2 | 0 | 0 | 0 | 115.5 | L639 | F637-L639 PolarHBondContact O-N 2.96Š| ||
| 638 | D | 32.3 | Very low | 43.6 | Very low | 153 Ų | 153 | 119.9 Ų | 119.9 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -99.6 | 115.5 | 134.2 | -78.8 | -35.9 | 0 | 0 | 0 | 109.8 | M636 P640 | M636-D638 VanDerWaalsContact C-N 3.33Å; M636-D638 PolarHBondContact O-N 2.84Å; D638-P640 WeakPolarHBondContact O-CD 3.3Å | ||
| 639 | L | 34.3 | Very low | 41.6 | Very low | 107.333 Ų | 107.333 | 124.3 Ų | 124.3 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 130.5 | 162.7 | -93.7 | 98.7 | 0 | 0 | 0 | 108.9 | F637 L641 T1375 I1378 | F637-L639 PolarHBondContact O-N 2.96Å; L639-L641 HydrophobicContact CD2-CD1 4.29Å; L639-L641 PolarHBondContact O-N 2.85Å; L639-T1375 HydrophobicContact CD2-CG2 3.92Å; L639-I1378 HydrophobicContact CD2-CD1 4.49Å | ||
| 640 | P | 33.3 | Very low | 39.6 | Very low | 96.3333 Ų | 96.3333 | 125.4 Ų | 125.4 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | trans | -95.6 | 108 | 159.2 | 30.3 | -23.7 | 0 | 0 | 0 | 109.9 | D638 Q642 P714 I717 | D638-P640 WeakPolarHBondContact O-CD 3.3Å; P640-Q642 HydrophobicContact CB-CG 3.79Å; P640-Q642 HydrophobicContact CG-CG 3.97Å; P640-Q642 PolarHBondContact O-N 3.22Å; P640-P714 HydrophobicContact CG-CG 4.23Å; P640-I717 VanDerWaalsContact CD-CD1 3.43Å; P640-I717 HydrophobicContact CG-CD1 4.09Å | ||
| 641 | L | 31.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | trans | -69.9 | 85.1 | 158.2 | -72.3 | 161.9 | 0 | 0 | 0 | 108.1 | L639 V643 K1280 H1370 | L639-L641 HydrophobicContact CD2-CD1 4.29Å; L639-L641 PolarHBondContact O-N 2.85Å; L641-V643 HydrophobicContact CB-CG2 4.23Å; L641-V643 HydrophobicContact CD2-CG2 3.71Å; L641-V643 PolarHBondContact O-N 3.38Å; L641-K1280 HydrophobicContact CD1-CD 4.12Å; L641-H1370 WeakPolarHBondContact CD2-O 3.41Å | ||
| 642 | Q | 30 | Very low | 35.9 | Very low | 148.333 Ų | 148.333 | 122.3 Ų | 122.3 | 69% | 0.693 | 65% | 0.653 | S | S | * | * | trans | -88.4 | 99.7 | 159.2 | -76 | -168.2 | -13.4 | 0 | 0 | 108.7 | P640 N644 P714 | P640-Q642 HydrophobicContact CB-CG 3.79Å; P640-Q642 HydrophobicContact CG-CG 3.97Å; P640-Q642 PolarHBondContact O-N 3.22Å; Q642-N644 PolarHBondContact O-N 3.08Å; Q642-P714 HydrophobicContact CG-CG 4.37Å | ||
| 643 | V | 28.5 | Very low | 34.2 | Very low | 96.6667 Ų | 96.6667 | 119.7 Ų | 119.7 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | trans | -85.2 | 100.5 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 105.3 | L641 V645 | L641-V643 HydrophobicContact CB-CG2 4.23Å; L641-V643 HydrophobicContact CD2-CG2 3.71Å; L641-V643 PolarHBondContact O-N 3.38Å; V643-V645 HydrophobicContact CB-CG2 3.81Å; V643-V645 HydrophobicContact CG1-CB 4.49Å; V643-V645 HydrophobicContact CG1-CG2 3.77Å; V643-V645 PolarHBondContact O-N 3.11Å | ||
| 644 | N | 27.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | trans | -79.5 | 88.9 | 172.2 | -99.1 | -17.5 | 0 | 0 | 0 | 108.6 | Q642 S646 S647 E648 Q1368 | Q642-N644 PolarHBondContact O-N 3.08Å; N644-S646 PolarHBondContact O-N 3.16Å; N644-S647 WeakPolarHBondContact CB-OG 3.46Å; N644-S647 PolarHBondContact ND2-OG 2.93Å; N644-S647 PolarHBondContact O-N 3.07Å; N644-S647 PolarHBondContact O-OG 3.09Å; N644-E648 PolarHBondContact O-N 3.12Å; N644-Q1368 PolarHBondContact O-NE2 2.94Å | ||
| 645 | V | 28.4 | Very low | 31.9 | Very low | 105.667 Ų | 105.667 | 121.3 Ų | 121.3 | 64% | 0.64 | 65% | 0.646 | S | S | * | * | trans | -80.5 | 63.5 | 173 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | V643 Q649 | V643-V645 HydrophobicContact CB-CG2 3.81Å; V643-V645 HydrophobicContact CG1-CB 4.49Å; V643-V645 HydrophobicContact CG1-CG2 3.77Å; V643-V645 PolarHBondContact O-N 3.11Å; V645-Q649 HydrophobicContact CG1-CB 4.42Å; V645-Q649 HydrophobicContact CG1-CG 3.81Å; V645-Q649 VanDerWaalsContact O-CB 3.26Å; V645-Q649 WeakPolarHBondContact O-CB 3.3Å; V645-Q649 PolarHBondContact O-N 3.47Å | ||
| 646 | S | 29 | Very low | 31.5 | Very low | 88.6667 Ų | 88.6667 | 118.9 Ų | 118.9 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | trans | -121.5 | 64.2 | 164.4 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | N644 Q650 | N644-S646 PolarHBondContact O-N 3.16Å; S646-Q650 WeakPolarHBondContact O-CB 3.3Å; S646-Q650 WeakPolarHBondContact O-CG 3.34Å; S646-Q650 PolarHBondContact O-OE1 3.46Å | ||
| 647 | S | 28.8 | Very low | 31.4 | Very low | 96.6667 Ų | 96.6667 | 117.6 Ų | 117.6 | 68% | 0.676 | 62% | 0.621 | S | S | * | * | trans | -124.2 | 51.6 | 173.8 | 60 | 0 | 0 | 0 | 0 | 112.3 | N644 G651 | N644-S647 WeakPolarHBondContact CB-OG 3.46Å; N644-S647 PolarHBondContact ND2-OG 2.93Å; N644-S647 PolarHBondContact O-N 3.07Å; N644-S647 PolarHBondContact O-OG 3.09Å; S647-G651 WeakPolarHBondContact O-CA 3.46Å; S647-G651 PolarHBondContact O-N 3.11Å | ||
| 648 | E | 30.7 | Very low | 31.3 | Very low | 164.333 Ų | 164.333 | 113 Ų | 113 | 77% | 0.768 | 60% | 0.604 | S | S | * | * | trans | -117.9 | 71 | 165.5 | -89.6 | -177.3 | -170 | 0 | 0 | 112 | N644 G651 Y652 | N644-E648 PolarHBondContact O-N 3.12Å; E648-G651 CarbonylContact O-C 3.34Å; E648-G651 VanDerWaalsContact O-CA 3.27Å; E648-G651 WeakPolarHBondContact O-CA 2.8Å; E648-G651 PolarHBondContact O-N 3.31Å; E648-G651 VanDerWaalsContact O-N 3.07Å; E648-Y652 HydrophobicContact CB-CD2 4.34Å; E648-Y652 HydrophobicContact CB-CE2 4Å; E648-Y652 WeakPolarHBondContact O-CD2 3.34Å; E648-Y652 PolarHBondContact O-N 2.8Å | ||
| 649 | Q | 30.8 | Very low | 31.4 | Very low | 145 Ų | 145 | 113.4 Ų | 113.4 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -109.7 | -10 | -175.8 | -65.4 | -170.7 | -11.6 | 0 | 0 | 114.5 | V645 Y652 N653 | V645-Q649 HydrophobicContact CG1-CB 4.42Å; V645-Q649 HydrophobicContact CG1-CG 3.81Å; V645-Q649 VanDerWaalsContact O-CB 3.26Å; V645-Q649 WeakPolarHBondContact O-CB 3.3Å; V645-Q649 PolarHBondContact O-N 3.47Å; Q649-Y652 PolarHBondContact O-N 3.11Å; Q649-N653 VanDerWaalsContact O-CB 3.28Å; Q649-N653 WeakPolarHBondContact O-CB 3.41Å; Q649-N653 PolarHBondContact O-N 3.26Å |
| 650 | Q | 30.1 | Very low | 31.5 | Very low | 162.333 Ų | 162.333 | 111.5 Ų | 111.5 | 76% | 0.759 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -75.4 | 14.3 | 163.1 | -70.5 | 179.3 | 14.1 | 0 | 0 | 114.7 | S646 K654 | S646-Q650 WeakPolarHBondContact O-CB 3.3Å; S646-Q650 WeakPolarHBondContact O-CG 3.34Å; S646-Q650 PolarHBondContact O-OE1 3.46Å; Q650-K654 WeakPolarHBondContact O-CA 3.46Å; Q650-K654 WeakPolarHBondContact O-CB 3.43Å; Q650-K654 WeakPolarHBondContact O-CG 3.42Å; Q650-K654 PolarHBondContact O-N 3.15Å |
| 651 | G | 30.5 | Very low | 31.7 | Very low | 44.6667 Ų | 44.6667 | 110.9 Ų | 110.9 | 46% | 0.46 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -85.3 | -13.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S647 E648 N653 L655 | S647-G651 WeakPolarHBondContact O-CA 3.46Å; S647-G651 PolarHBondContact O-N 3.11Å; E648-G651 CarbonylContact O-C 3.34Å; E648-G651 VanDerWaalsContact O-CA 3.27Å; E648-G651 WeakPolarHBondContact O-CA 2.8Å; E648-G651 PolarHBondContact O-N 3.31Å; E648-G651 VanDerWaalsContact O-N 3.07Å; G651-N653 PolarHBondContact O-N 3.11Å; G651-L655 WeakPolarHBondContact O-CA 3Å; G651-L655 WeakPolarHBondContact O-CB 3.41Å; G651-L655 WeakPolarHBondContact O-CD1 3.46Å; G651-L655 PolarHBondContact O-N 3.09Å |
| 652 | Y | 32.7 | Very low | 32 | Very low | 127.667 Ų | 127.667 | 111.3 Ų | 111.3 | 50% | 0.501 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -93.4 | -16.5 | -179 | -74.6 | -72.3 | 0 | 0 | 0 | 114.6 | E648 Q649 S656 H686 T687 Q1365 | E648-Y652 HydrophobicContact CB-CD2 4.34Å; E648-Y652 HydrophobicContact CB-CE2 4Å; E648-Y652 WeakPolarHBondContact O-CD2 3.34Å; E648-Y652 PolarHBondContact O-N 2.8Å; Q649-Y652 PolarHBondContact O-N 3.11Å; Y652-S656 WeakPolarHBondContact O-CB 3.35Å; Y652-S656 PolarHBondContact O-N 3.22Å; Y652-S656 PolarHBondContact O-OG 2.93Å; Y652-H686 WeakPolarHBondContact CE1-O 3.22Å; Y652-H686 HydrophobicContact CE2-CB 4.27Å; Y652-H686 WeakPolarHBondContact CE2-O 3.33Å; Y652-H686 PolarHBondContact OH-O 3Å; Y652-T687 PolarHBondContact OH-OG1 3.43Å; Y652-T687 VanDerWaalsContact OH-OG1 3.04Å; Y652-Q1365 PolarHBondContact O-NE2 3.07Å |
| 653 | N | 30.7 | Very low | 32.9 | Very low | 110.667 Ų | 110.667 | 107.5 Ų | 107.5 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -97.1 | -22.8 | 179.4 | -79.3 | -16.8 | 0 | 0 | 0 | 111.9 | Q649 G651 S656 Q657 | Q649-N653 VanDerWaalsContact O-CB 3.28Å; Q649-N653 WeakPolarHBondContact O-CB 3.41Å; Q649-N653 PolarHBondContact O-N 3.26Å; G651-N653 PolarHBondContact O-N 3.11Å; N653-S656 PolarHBondContact O-OG 3.3Å; N653-Q657 WeakPolarHBondContact O-CB 3.03Å; N653-Q657 WeakPolarHBondContact O-CG 3.33Å; N653-Q657 PolarHBondContact O-N 2.89Å; N653-Q657 PolarHBondContact O-OE1 3.43Å |
| 654 | K | 35.1 | Very low | 34.1 | Very low | 146.667 Ų | 146.667 | 106 Ų | 106 | 64% | 0.638 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -42.9 | -5.3 | 168.4 | -76.4 | -179.8 | 171.8 | -179.3 | 0 | 114 | Q650 Q657 M658 | Q650-K654 WeakPolarHBondContact O-CA 3.46Å; Q650-K654 WeakPolarHBondContact O-CB 3.43Å; Q650-K654 WeakPolarHBondContact O-CG 3.42Å; Q650-K654 PolarHBondContact O-N 3.15Å; K654-Q657 CarbonylContact O-C 3.57Å; K654-Q657 PolarHBondContact O-N 3.44Å; K654-M658 WeakPolarHBondContact O-CA 3.49Å; K654-M658 VanDerWaalsContact O-CB 3.3Å; K654-M658 WeakPolarHBondContact O-CB 3.44Å; K654-M658 WeakPolarHBondContact O-CG 3.28Å; K654-M658 PolarHBondContact O-N 3.14Å |
| 655 | L | 31.4 | Very low | 35.9 | Very low | 95.3333 Ų | 95.3333 | 105 Ų | 105 | 50% | 0.499 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -88 | -16.5 | 176.5 | -111.2 | 142.8 | 0 | 0 | 0 | 113.5 | G651 Q657 M658 R659 | G651-L655 WeakPolarHBondContact O-CA 3Å; G651-L655 WeakPolarHBondContact O-CB 3.41Å; G651-L655 WeakPolarHBondContact O-CD1 3.46Å; G651-L655 PolarHBondContact O-N 3.09Å; L655-Q657 VanDerWaalsContact C-N 3.33Å; L655-M658 HydrophobicContact CD2-SD 4.42Å; L655-M658 HydrophobicContact CG-SD 4.32Å; L655-M658 CarbonylContact O-C 3.6Å; L655-M658 WeakPolarHBondContact O-CB 3.42Å; L655-M658 PolarHBondContact O-N 2.95Å; L655-M658 VanDerWaalsContact O-N 3.13Å; L655-R659 PolarHBondContact O-N 2.89Å |
| 656 | S | 34.1 | Very low | 38.1 | Very low | 61 Ų | 61 | 100 Ų | 100 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -83.3 | -10.1 | 179.4 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | Y652 N653 M658 R659 S660 K1361 | Y652-S656 WeakPolarHBondContact O-CB 3.35Å; Y652-S656 PolarHBondContact O-N 3.22Å; Y652-S656 PolarHBondContact O-OG 2.93Å; N653-S656 PolarHBondContact O-OG 3.3Å; S656-M658 VanDerWaalsContact C-N 3.35Å; S656-R659 PolarHBondContact O-N 3.23Å; S656-S660 PolarHBondContact O-N 3.33Å; S656-K1361 WeakPolarHBondContact O-CD 3.48Å; S656-K1361 WeakPolarHBondContact O-CE 3.17Å; S656-K1361 PolarHBondContact O-NZ 2.89Å |
| 657 | Q | 34.2 | Very low | 40.5 | Very low | 115.333 Ų | 115.333 | 97.3 Ų | 97.3 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -80.5 | -16.9 | 173.1 | -82.2 | -179.7 | -16.3 | 0 | 0 | 114 | N653 K654 L655 R659 S660 T661 | N653-Q657 WeakPolarHBondContact O-CB 3.03Å; N653-Q657 WeakPolarHBondContact O-CG 3.33Å; N653-Q657 PolarHBondContact O-N 2.89Å; N653-Q657 PolarHBondContact O-OE1 3.43Å; K654-Q657 CarbonylContact O-C 3.57Å; K654-Q657 PolarHBondContact O-N 3.44Å; L655-Q657 VanDerWaalsContact C-N 3.33Å; Q657-R659 PolarHBondContact O-N 2.91Å; Q657-S660 WeakPolarHBondContact O-CB 3.09Å; Q657-S660 PolarHBondContact O-N 3.11Å; Q657-S660 VanDerWaalsContact O-N 3.11Å; Q657-S660 PolarHBondContact O-OG 3.17Å; Q657-T661 PolarHBondContact O-N 3.41Å |
| 658 | M | 32.9 | Very low | 43.2 | Very low | 84.3333 Ų | 84.3333 | 92.7 Ų | 92.7 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.2 | 8.3 | 177.9 | -69.8 | -161.9 | 147.7 | 0 | 0 | 112.7 | K654 L655 S656 S660 T661 A697 C703 K1301 | K654-M658 WeakPolarHBondContact O-CA 3.49Å; K654-M658 VanDerWaalsContact O-CB 3.3Å; K654-M658 WeakPolarHBondContact O-CB 3.44Å; K654-M658 WeakPolarHBondContact O-CG 3.28Å; K654-M658 PolarHBondContact O-N 3.14Å; L655-M658 HydrophobicContact CD2-SD 4.42Å; L655-M658 HydrophobicContact CG-SD 4.32Å; L655-M658 CarbonylContact O-C 3.6Å; L655-M658 WeakPolarHBondContact O-CB 3.42Å; L655-M658 PolarHBondContact O-N 2.95Å; L655-M658 VanDerWaalsContact O-N 3.13Å; S656-M658 VanDerWaalsContact C-N 3.35Å; M658-S660 VanDerWaalsContact C-N 3.25Å; M658-S660 PolarHBondContact O-N 3.48Å; M658-T661 WeakPolarHBondContact CA-OG1 3.4Å; M658-T661 CarbonylContact O-C 3.53Å; M658-T661 WeakPolarHBondContact O-CA 3.44Å; M658-T661 WeakPolarHBondContact O-CB 3.14Å; M658-T661 PolarHBondContact O-N 3.49Å; M658-T661 PolarHBondContact O-OG1 2.88Å; M658-A697 WeakPolarHBondContact CE-O 3.39Å; M658-C703 HydrophobicContact CE-CB 4.01Å; M658-C703 WeakPolarHBondContact CE-SG 3Å; M658-K1301 HydrophobicContact SD-CD 4.09Å |
| 659 | R | 35 | Very low | 46 | Very low | 160.667 Ų | 160.667 | 85 Ų | 85 | 61% | 0.606 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -87 | 13.9 | 171.2 | -80.9 | -172.5 | 174.2 | 177.7 | 0.5 | 111.8 | L655 S656 Q657 T661 | L655-R659 PolarHBondContact O-N 2.89Å; S656-R659 PolarHBondContact O-N 3.23Å; Q657-R659 PolarHBondContact O-N 2.91Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 CarbonylContact C-O 3.53Å; R659-T661 PolarHBondContact O-N 3.24Å |
| 660 | S | 35.8 | Very low | 48.8 | Very low | 69 Ų | 69 | 78.2 Ų | 78.2 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 2.9 | -177 | 65.6 | 0 | 0 | 0 | 0 | 114.5 | S656 Q657 M658 | S656-S660 PolarHBondContact O-N 3.33Å; Q657-S660 WeakPolarHBondContact O-CB 3.09Å; Q657-S660 PolarHBondContact O-N 3.11Å; Q657-S660 VanDerWaalsContact O-N 3.11Å; Q657-S660 PolarHBondContact O-OG 3.17Å; M658-S660 VanDerWaalsContact C-N 3.25Å; M658-S660 PolarHBondContact O-N 3.48Å |
| 661 | T | 37.4 | Very low | 51.7 | Low | 83 Ų | 83 | 70.4 Ų | 70.4 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 14.6 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | Q657 M658 R659 D663 K1392 | Q657-T661 PolarHBondContact O-N 3.41Å; M658-T661 WeakPolarHBondContact CA-OG1 3.4Å; M658-T661 CarbonylContact O-C 3.53Å; M658-T661 WeakPolarHBondContact O-CA 3.44Å; M658-T661 WeakPolarHBondContact O-CB 3.14Å; M658-T661 PolarHBondContact O-N 3.49Å; M658-T661 PolarHBondContact O-OG1 2.88Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 CarbonylContact C-O 3.53Å; R659-T661 PolarHBondContact O-N 3.24Å; T661-D663 VanDerWaalsContact C-N 3.33Å; T661-D663 PolarHBondContact O-N 2.77Å; T661-K1392 PolarHBondContact O-NZ 3.24Å |
| 662 | Q | 39 | Very low | 54.4 | Low | 115.333 Ų | 115.333 | 68.5 Ų | 68.5 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 77.5 | 177.4 | -72 | -179.1 | -26.7 | 0 | 0 | 111.3 | N664 P898 | Q662-N664 PolarHBondContact O-N 3.25Å; Q662-N664 VanDerWaalsContact O-N 3.13Å; Q662-N664 PolarHBondContact O-OD1 3.42Å; Q662-P898 PolarHBondContact NE2-O 3.12Å |
| 663 | D | 47.4 | Very low | 56.8 | Low | 70.3333 Ų | 70.3333 | 63 Ų | 63 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | trans | -65.2 | 124.5 | 168.3 | -73.3 | -33.8 | 0 | 0 | 0 | 108.6 | T661 F665 C703 | T661-D663 VanDerWaalsContact C-N 3.33Å; T661-D663 PolarHBondContact O-N 2.77Å; D663-F665 HydrophobicContact CB-CE2 4.11Å; D663-F665 VanDerWaalsContact O-CD2 3.3Å; D663-F665 WeakPolarHBondContact O-CD2 3.41Å; D663-F665 WeakPolarHBondContact O-CE2 3.27Å; D663-F665 PolarHBondContact O-N 3.25Å; D663-C703 HydrophobicContact CB-CB 4.46Å | ||
| 664 | N | 54.9 | Low | 58.8 | Low | 65.3333 Ų | 65.3333 | 61.6 Ų | 61.6 | 35% | 0.349 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134 | 175.1 | -72.6 | -31.7 | 0 | 0 | 0 | 108.5 | Q662 S701 T702 C703 Y887 | Q662-N664 PolarHBondContact O-N 3.25Å; Q662-N664 VanDerWaalsContact O-N 3.13Å; Q662-N664 PolarHBondContact O-OD1 3.42Å; N664-S701 PolarHBondContact N-O 3.08Å; N664-T702 HydrophobicContact CB-CG2 4.02Å; N664-T702 CarbonylContact O-C 3.56Å; N664-T702 VanDerWaalsContact O-CA 3.23Å; N664-T702 WeakPolarHBondContact O-CA 3.41Å; N664-T702 WeakPolarHBondContact O-CG2 3.41Å; N664-C703 PolarHBondContact O-N 3.14Å; N664-Y887 HydrophobicContact CB-CD1 3.68Å; N664-Y887 VanDerWaalsContact CB-CD1 3.47Å; N664-Y887 HydrophobicContact CB-CE1 3.96Å; N664-Y887 HydrophobicContact CB-CG 4.25Å |
| 665 | F | 64.6 | Low | 60.7 | Low | 93.3333 Ų | 93.3333 | 58.3 Ų | 58.3 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.9 | 173.8 | -69.4 | -90.3 | 0 | 0 | 0 | 109.5 | D663 C703 Y887 | D663-F665 HydrophobicContact CB-CE2 4.11Å; D663-F665 VanDerWaalsContact O-CD2 3.3Å; D663-F665 WeakPolarHBondContact O-CD2 3.41Å; D663-F665 WeakPolarHBondContact O-CE2 3.27Å; D663-F665 PolarHBondContact O-N 3.25Å; F665-C703 CarbonylContact C-O 3.6Å; F665-C703 VanDerWaalsContact CA-O 3.31Å; F665-C703 WeakPolarHBondContact CA-O 3.37Å; F665-C703 HydrophobicContact CD1-CB 3.55Å; F665-C703 VanDerWaalsContact CD1-SG 3.55Å; F665-C703 HydrophobicContact CE1-CB 3.55Å; F665-C703 VanDerWaalsContact CE1-SG 3.51Å; F665-C703 HydrophobicContact CG-CB 4.3Å; F665-C703 HydrophobicContact CZ-CB 4.27Å; F665-Y887 PolarHBondContact O-OH 3.39Å |
| 666 | C | 74.8 | Confident | 63.1 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.2 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | T702 C703 I704 D705 I736 L883 Y887 | C666-T702 HydrophobicContact CB-CG2 4.04Å; C666-C703 PolarHBondContact N-O 2.86Å; C666-I704 WeakPolarHBondContact O-CA 3.25Å; C666-D705 PolarHBondContact O-N 3.17Å; C666-I736 VanDerWaalsContact SG-CD1 3.53Å; C666-L883 HydrophobicContact CB-CD2 3.8Å; C666-L883 VanDerWaalsContact SG-CD2 3.51Å; C666-Y887 HydrophobicContact CB-CD2 4.48Å; C666-Y887 HydrophobicContact CB-CE2 3.6Å |
| 667 | R | 79.1 | Confident | 65.6 | Low | 32.3333 Ų | 32.3333 | 50.8 Ų | 50.8 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.4 | -179.9 | -163.7 | 168.8 | -139.3 | -157.2 | -6.8 | 111.5 | D705 V707 Q730 D735 I736 H1377 | R667-D705 CarbonylContact C-O 3.57Å; R667-D705 WeakPolarHBondContact CA-O 3.4Å; R667-D705 HydrophobicContact CG-CB 4.39Å; R667-D705 IonicContact CZ-OD2 3.42Å; R667-D705 VanDerWaalsContact CZ-OD2 3.31Å; R667-D705 IonicContact NE-OD2 2.81Å; R667-D705 PolarHBondContact NE-OD2 3.16Å; R667-D705 IonicContact NH2-OD2 3.98Å; R667-D705 PolarHBondContact NH2-OD2 2.9Å; R667-V707 HydrophobicContact CG-CG2 3.92Å; R667-Q730 VanDerWaalsContact CZ-OE1 3.22Å; R667-D735 PolarHBondContact N-OD2 3.21Å; R667-D735 VanDerWaalsContact N-OD2 3.15Å; R667-D735 PolarHBondContact O-N 3.08Å; R667-I736 PolarHBondContact O-N 3.08Å; R667-H1377 PolarHBondContact NH2-NE2 3.29Å |
| 668 | V | 85.6 | Confident | 67.9 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.3 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | I704 D705 L706 V707 I736 V738 | V668-I704 HydrophobicContact CG2-CG2 3.81Å; V668-D705 PolarHBondContact N-O 3.07Å; V668-L706 HydrophobicContact CB-CD1 4.03Å; V668-L706 HydrophobicContact CG1-CD1 3.97Å; V668-L706 WeakPolarHBondContact O-CA 3.24Å; V668-V707 PolarHBondContact O-N 3.14Å; V668-I736 CarbonylContact C-O 3.6Å; V668-I736 WeakPolarHBondContact CA-O 3.2Å; V668-I736 HydrophobicContact CG1-CB 4.47Å; V668-I736 HydrophobicContact CG1-CG2 4.35Å; V668-I736 HydrophobicContact CG2-CB 4.21Å; V668-I736 HydrophobicContact CG2-CD1 4.44Å; V668-V738 HydrophobicContact CG1-CG2 3.99Å |
| 669 | Y | 89.1 | Confident | 70.4 | Confident | 2.33333 Ų | 2.33333 | 43 Ų | 43 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.5 | 177.3 | -174 | -93.7 | 0 | 0 | 0 | 110.9 | V707 L709 Q730 A731 S734 I736 F737 V738 E779 | Y669-V707 WeakPolarHBondContact CA-O 3.36Å; Y669-V707 HydrophobicContact CD2-CB 3.95Å; Y669-V707 HydrophobicContact CD2-CG1 3.75Å; Y669-V707 HydrophobicContact CE2-CG1 3.98Å; Y669-L709 HydrophobicContact CE2-CD1 3.94Å; Y669-L709 HydrophobicContact CE2-CG 4.25Å; Y669-L709 WeakPolarHBondContact OH-CD1 3.42Å; Y669-Q730 HydrophobicContact CD2-CB 4Å; Y669-Q730 HydrophobicContact CE2-CB 3.66Å; Y669-Q730 VanDerWaalsContact CE2-CB 3.45Å; Y669-A731 HydrophobicContact CD1-CB 4.13Å; Y669-A731 HydrophobicContact CE1-CB 3.91Å; Y669-A731 HydrophobicContact CG-CB 4.5Å; Y669-S734 VanDerWaalsContact CB-CB 3.46Å; Y669-I736 PolarHBondContact N-O 3.34Å; Y669-F737 AromaticContact CD1-CD2 3.74Å; Y669-F737 HydrophobicContact CD1-CD2 3.74Å; Y669-F737 AromaticContact CD1-CE2 3.63Å; Y669-F737 HydrophobicContact CD1-CE2 3.63Å; Y669-F737 AromaticContact CE1-CE2 4Å; Y669-F737 HydrophobicContact CE1-CE2 4.07Å; Y669-F737 HydrophobicContact CG-CD2 4.47Å; Y669-V738 PolarHBondContact O-N 3.34Å; Y669-E779 HydrophobicContact CE1-CG 4.44Å; Y669-E779 VanDerWaalsContact CE1-OE1 3.26Å; Y669-E779 WeakPolarHBondContact CE1-OE1 3.47Å; Y669-E779 VanDerWaalsContact CZ-OE1 3.3Å; Y669-E779 PolarHBondContact OH-OE1 3.05Å |
| 670 | I | 89.7 | Confident | 73 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.4 | 178 | -59.6 | 173.6 | 0 | 0 | 0 | 110.1 | R681 I684 Y685 L706 V707 D708 V738 L740 | I670-R681 PolarHBondContact O-NH2 3.28Å; I670-I684 HydrophobicContact CD1-CD1 4.21Å; I670-I684 HydrophobicContact CD1-CG2 3.66Å; I670-Y685 HydrophobicContact CD1-CE2 3.95Å; I670-L706 HydrophobicContact CD1-CD1 3.59Å; I670-L706 VanDerWaalsContact CD1-CD1 3.48Å; I670-L706 HydrophobicContact CD1-CD2 3.83Å; I670-L706 HydrophobicContact CD1-CG 3.91Å; I670-L706 HydrophobicContact CG1-CD1 4.08Å; I670-L706 HydrophobicContact CG1-CG 4.46Å; I670-V707 PolarHBondContact N-O 3.37Å; I670-D708 HydrophobicContact CB-CB 4.46Å; I670-V738 CarbonylContact C-O 3.5Å; I670-V738 WeakPolarHBondContact CA-O 3.49Å; I670-V738 HydrophobicContact CG1-CB 4.36Å; I670-L740 HydrophobicContact CG2-CD1 4.18Å; I670-L740 HydrophobicContact CG2-CG 4.38Å |
| 671 | S | 90.9 | Very high | 75.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.5 | 170.6 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | F737 V738 L739 L740 E779 | S671-F737 VanDerWaalsContact CB-CZ 3.49Å; S671-V738 PolarHBondContact N-O 3.29Å; S671-L739 CarbonylContact O-C 3.58Å; S671-L739 WeakPolarHBondContact O-CA 3.43Å; S671-L739 WeakPolarHBondContact OG-CD1 3.38Å; S671-L740 PolarHBondContact O-N 3.2Å; S671-E779 VanDerWaalsContact CB-OE2 3.23Å; S671-E779 WeakPolarHBondContact CB-OE2 3.34Å; S671-E779 PolarHBondContact OG-OE2 3.09Å |
| 672 | S | 88.8 | Confident | 77.4 | Confident | 3.33333 Ų | 3.33333 | 31.7 Ų | 31.7 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 158.8 | 168.5 | 76.1 | 0 | 0 | 0 | 0 | 111.4 | Y674 R681 R710 L740 | S672-Y674 PolarHBondContact O-N 3.2Å; S672-R681 VanDerWaalsContact N-NH2 3.18Å; S672-R681 PolarHBondContact O-NH1 3.21Å; S672-R681 VanDerWaalsContact O-NH1 3.1Å; S672-R681 PolarHBondContact O-NH2 2.77Å; S672-R681 VanDerWaalsContact OG-CZ 3.23Å; S672-R681 PolarHBondContact OG-NE 2.9Å; S672-R681 PolarHBondContact OG-NH1 2.75Å; S672-R681 PolarHBondContact OG-NH2 2.95Å; S672-R710 VanDerWaalsContact C-NH1 3.28Å; S672-R710 WeakPolarHBondContact O-CD 3.21Å; S672-R710 PolarHBondContact O-NH1 3.29Å; S672-R710 PolarHBondContact OG-NH2 3.23Å; S672-L740 WeakPolarHBondContact CA-O 3.2Å; S672-L740 VanDerWaalsContact CB-O 3.25Å; S672-L740 WeakPolarHBondContact CB-O 3.33Å |
| 673 | S | 82.1 | Confident | 79.6 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | trans | -61.9 | 133.8 | 164.1 | 41.2 | 0 | 0 | 0 | 0 | 110.2 | D676 M677 R710 | S673-D676 VanDerWaalsContact C-OD1 3.28Å; S673-D676 WeakPolarHBondContact CB-OD1 3.42Å; S673-D676 VanDerWaalsContact OG-CB 3.32Å; S673-D676 WeakPolarHBondContact OG-CB 3.48Å; S673-D676 PolarHBondContact OG-OD1 3.04Å; S673-D676 PolarHBondContact OG-OD2 3.17Å; S673-D676 VanDerWaalsContact OG-OD2 3.05Å; S673-M677 WeakPolarHBondContact O-CB 3.18Å; S673-M677 PolarHBondContact O-N 2.89Å; S673-R710 PolarHBondContact O-NH2 3.11Å | ||
| 674 | Y | 72.5 | Confident | 81.4 | Confident | 81.3333 Ų | 81.3333 | 24.9 Ų | 24.9 | 32% | 0.319 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -59 | -167.7 | -179.3 | -106.8 | 0 | 0 | 0 | 112.9 | S672 D676 M677 H678 R710 | S672-Y674 PolarHBondContact O-N 3.2Å; Y674-D676 PolarHBondContact O-N 3.06Å; Y674-M677 PolarHBondContact O-N 3.37Å; Y674-H678 PolarHBondContact O-N 3.29Å; Y674-R710 HydrophobicContact CD2-CB 4.16Å; Y674-R710 VanDerWaalsContact CD2-CD 3.45Å; Y674-R710 HydrophobicContact CD2-CG 3.45Å; Y674-R710 VanDerWaalsContact CD2-CG 3.45Å; Y674-R710 HydrophobicContact CE2-CB 4.06Å; Y674-R710 HydrophobicContact CE2-CG 3.32Å; Y674-R710 WeakPolarHBondContact CE2-O 3.27Å; Y674-R710 PolarHBondContact O-NH1 3.01Å; Y674-R710 PolarHBondContact O-NH2 3.08Å |
| 675 | M | 75 | Confident | 82.4 | Confident | 77.3333 Ų | 77.3333 | 24.7 Ų | 24.7 | 38% | 0.381 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -32.7 | -170.3 | -67.5 | -63.8 | -82.9 | 0 | 0 | 113.9 | H678 E715 I822 | M675-H678 PolarHBondContact O-ND1 2.94Å; M675-E715 WeakPolarHBondContact CG-OE1 3.15Å; M675-I822 HydrophobicContact CB-CG2 4.14Å; M675-I822 WeakPolarHBondContact O-CG2 3.4Å |
| 676 | D | 82.3 | Confident | 82.9 | Confident | 0.333333 Ų | 0.333333 | 25.1 Ų | 25.1 | 0% | 0.002 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -24.5 | -176.8 | 98 | -25.8 | 0 | 0 | 0 | 113.3 | S673 Y674 G742 A743 K744 R808 I822 F823 | S673-D676 VanDerWaalsContact C-OD1 3.28Å; S673-D676 WeakPolarHBondContact CB-OD1 3.42Å; S673-D676 VanDerWaalsContact OG-CB 3.32Å; S673-D676 WeakPolarHBondContact OG-CB 3.48Å; S673-D676 PolarHBondContact OG-OD1 3.04Å; S673-D676 PolarHBondContact OG-OD2 3.17Å; S673-D676 VanDerWaalsContact OG-OD2 3.05Å; Y674-D676 PolarHBondContact O-N 3.06Å; D676-G742 WeakPolarHBondContact OD2-CA 3.39Å; D676-A743 PolarHBondContact OD2-N 3.24Å; D676-K744 HydrophobicContact CB-CB 4.06Å; D676-K744 HydrophobicContact CB-CD 4.31Å; D676-K744 WeakPolarHBondContact OD2-CB 3.35Å; D676-K744 PolarHBondContact OD2-N 3.37Å; D676-R808 VanDerWaalsContact O-CZ 3.28Å; D676-R808 PolarHBondContact O-NH1 2.83Å; D676-R808 PolarHBondContact O-NH2 2.97Å; D676-R808 IonicContact OD1-CZ 3Å; D676-R808 IonicContact OD1-NH2 3.82Å; D676-R808 PolarHBondContact OD1-NH2 2.64Å; D676-R808 IonicContact OD2-NH2 3.1Å; D676-I822 WeakPolarHBondContact CB-O 3.48Å; D676-F823 HydrophobicContact CB-CD1 4.13Å; D676-F823 WeakPolarHBondContact OD1-CA 3.45Å |
| 677 | M | 87 | Confident | 83 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -117.1 | 26.5 | -173.7 | -61.6 | -64.7 | -151.9 | 0 | 0 | 113.4 | S673 Y674 A679 E680 R681 R710 L740 L741 R808 Y851 | S673-M677 WeakPolarHBondContact O-CB 3.18Å; S673-M677 PolarHBondContact O-N 2.89Å; Y674-M677 PolarHBondContact O-N 3.37Å; M677-A679 VanDerWaalsContact C-N 3.31Å; M677-A679 PolarHBondContact O-N 3.07Å; M677-E680 WeakPolarHBondContact CA-OE2 3.35Å; M677-E680 PolarHBondContact O-N 3.34Å; M677-E680 HydrophobicContact SD-CG 4.42Å; M677-R681 VanDerWaalsContact O-CG 3.29Å; M677-R681 WeakPolarHBondContact O-CG 3Å; M677-R681 PolarHBondContact O-N 3.13Å; M677-R681 VanDerWaalsContact O-N 3.09Å; M677-R710 PolarHBondContact O-NH2 3.48Å; M677-L740 HydrophobicContact CE-CB 3.74Å; M677-L740 HydrophobicContact CG-CB 4.41Å; M677-L740 HydrophobicContact SD-CB 4.43Å; M677-L741 VanDerWaalsContact CE-O 3.26Å; M677-L741 WeakPolarHBondContact CE-O 3.43Å; M677-R808 HydrophobicContact CE-CB 4.06Å; M677-R808 PolarHBondContact SD-NH1 3.32Å; M677-R808 VanDerWaalsContact SD-NH1 3.44Å; M677-Y851 VanDerWaalsContact CE-OH 3.31Å; M677-Y851 WeakPolarHBondContact CE-OH 3.43Å |
| 678 | H | 82.7 | Confident | 83.2 | Confident | 23.3333 Ų | 23.3333 | 26.7 Ų | 26.7 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -41 | -177.1 | 64.5 | -85.8 | 0 | 0 | 0 | 112.3 | Y674 M675 E680 R681 D682 P863 M864 | Y674-H678 PolarHBondContact O-N 3.29Å; M675-H678 PolarHBondContact O-ND1 2.94Å; H678-E680 VanDerWaalsContact C-N 3.28Å; H678-E680 PolarHBondContact O-N 3.05Å; H678-R681 PolarHBondContact O-N 3.26Å; H678-D682 WeakPolarHBondContact O-CB 3.39Å; H678-D682 VanDerWaalsContact O-CG 3.24Å; H678-D682 PolarHBondContact O-N 3.03Å; H678-P863 PolarHBondContact CE1-O 3.33Å; H678-P863 PolarHBondContact NE2-O 2.9Å; H678-M864 VanDerWaalsContact NE2-CE 3.31Å; H678-M864 WeakPolarHBondContact NE2-CE 3.44Å |
| 679 | A | 84.6 | Confident | 82.8 | Confident | 11.3333 Ų | 11.3333 | 27.4 Ų | 27.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M677 L683 V865 L868 | M677-A679 VanDerWaalsContact C-N 3.31Å; M677-A679 PolarHBondContact O-N 3.07Å; A679-L683 WeakPolarHBondContact O-CB 3.33Å; A679-L683 PolarHBondContact O-N 2.94Å; A679-V865 HydrophobicContact CB-CB 4.01Å; A679-V865 WeakPolarHBondContact CB-O 3.28Å; A679-L868 HydrophobicContact CB-CD1 4.15Å |
| 680 | E | 89.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 176 | -65.4 | 86.2 | 169.5 | 0 | 0 | 112 | M677 H678 L683 I684 L740 R808 Y851 L868 F871 | M677-E680 WeakPolarHBondContact CA-OE2 3.35Å; M677-E680 PolarHBondContact O-N 3.34Å; M677-E680 HydrophobicContact SD-CG 4.42Å; H678-E680 VanDerWaalsContact C-N 3.28Å; H678-E680 PolarHBondContact O-N 3.05Å; E680-L683 WeakPolarHBondContact O-CB 3.48Å; E680-L683 PolarHBondContact O-N 3.22Å; E680-I684 WeakPolarHBondContact O-CB 3.38Å; E680-I684 WeakPolarHBondContact O-CD1 3.45Å; E680-I684 VanDerWaalsContact O-CG1 3.23Å; E680-I684 WeakPolarHBondContact O-CG1 3.47Å; E680-I684 PolarHBondContact O-N 3.03Å; E680-L740 HydrophobicContact CB-CD1 4.21Å; E680-R808 VanDerWaalsContact CD-NH1 3.3Å; E680-R808 VanDerWaalsContact OE1-CD 3.29Å; E680-R808 WeakPolarHBondContact OE1-CD 3.3Å; E680-R808 IonicContact OE1-CZ 3.34Å; E680-R808 IonicContact OE1-NE 2.97Å; E680-R808 IonicContact OE1-NH1 3.01Å; E680-R808 PolarHBondContact OE1-NH1 3.01Å; E680-R808 IonicContact OE2-NH1 2.79Å; E680-R808 PolarHBondContact OE2-NH1 3.26Å; E680-R808 VanDerWaalsContact OE2-NH1 3.13Å; E680-Y851 HydrophobicContact CG-CE2 4.31Å; E680-Y851 WeakPolarHBondContact CG-OH 3.29Å; E680-Y851 PolarHBondContact OE1-OH 3.05Å; E680-L868 HydrophobicContact CG-CD1 4.14Å; E680-L868 HydrophobicContact CG-CD2 4.05Å; E680-F871 HydrophobicContact CB-CD1 4.48Å; E680-F871 HydrophobicContact CB-CE1 3.91Å; E680-F871 HydrophobicContact CB-CZ 4.19Å; E680-F871 HydrophobicContact CG-CD1 4.31Å; E680-F871 HydrophobicContact CG-CE1 4.17Å; E680-F871 HydrophobicContact CG-CZ 4.47Å |
| 681 | R | 85.4 | Confident | 81.5 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 176 | -73.8 | -169.1 | 162.1 | 179.7 | -0 | 111.9 | I670 S672 M677 H678 L683 I684 Y685 D708 R710 L740 | I670-R681 PolarHBondContact O-NH2 3.28Å; S672-R681 VanDerWaalsContact N-NH2 3.18Å; S672-R681 PolarHBondContact O-NH1 3.21Å; S672-R681 VanDerWaalsContact O-NH1 3.1Å; S672-R681 PolarHBondContact O-NH2 2.77Å; S672-R681 VanDerWaalsContact OG-CZ 3.23Å; S672-R681 PolarHBondContact OG-NE 2.9Å; S672-R681 PolarHBondContact OG-NH1 2.75Å; S672-R681 PolarHBondContact OG-NH2 2.95Å; M677-R681 VanDerWaalsContact O-CG 3.29Å; M677-R681 WeakPolarHBondContact O-CG 3Å; M677-R681 PolarHBondContact O-N 3.13Å; M677-R681 VanDerWaalsContact O-N 3.09Å; H678-R681 PolarHBondContact O-N 3.26Å; R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 3.22Å; R681-I684 PolarHBondContact O-N 3.03Å; R681-Y685 WeakPolarHBondContact O-CB 3.44Å; R681-Y685 WeakPolarHBondContact O-CD2 3.24Å; R681-Y685 PolarHBondContact O-N 3.05Å; R681-D708 WeakPolarHBondContact CD-OD2 2.86Å; R681-D708 IonicContact CZ-OD1 3.02Å; R681-D708 IonicContact CZ-OD2 2.97Å; R681-D708 IonicContact NE-OD1 3.01Å; R681-D708 IonicContact NE-OD2 3.81Å; R681-D708 PolarHBondContact NE-OD2 2.97Å; R681-D708 IonicContact NH1-OD1 3.35Å; R681-D708 PolarHBondContact NH1-OD1 2.76Å; R681-D708 IonicContact NH1-OD2 2.84Å; R681-D708 PolarHBondContact NH1-OD2 2.78Å; R681-D708 IonicContact NH2-OD1 2.91Å; R681-D708 PolarHBondContact NH2-OD1 2.99Å; R681-D708 IonicContact NH2-OD2 2.76Å; R681-D708 PolarHBondContact NH2-OD2 3.34Å; R681-R710 VanDerWaalsContact CD-NE 3.27Å; R681-L740 HydrophobicContact CG-CD1 4.35Å |
| 682 | D | 81.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 32.9 Ų | 32.9 | 36% | 0.358 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.7 | -69 | -14.4 | 0 | 0 | 0 | 110.2 | H678 Y685 H686 | H678-D682 WeakPolarHBondContact O-CB 3.39Å; H678-D682 VanDerWaalsContact O-CG 3.24Å; H678-D682 PolarHBondContact O-N 3.03Å; D682-Y685 PolarHBondContact O-N 3.44Å; D682-H686 VanDerWaalsContact O-CB 3.28Å; D682-H686 WeakPolarHBondContact O-CB 3.41Å; D682-H686 PolarHBondContact O-CD2 3.11Å; D682-H686 VanDerWaalsContact O-CD2 3.29Å; D682-H686 PolarHBondContact O-N 3.07Å |
| 683 | L | 84.5 | Confident | 80.1 | Confident | 41.3333 Ų | 41.3333 | 34.4 Ų | 34.4 | 22% | 0.216 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.7 | -175.7 | 70.8 | 0 | 0 | 0 | 112.4 | A679 E680 R681 T687 L688 L868 F871 A872 | A679-L683 WeakPolarHBondContact O-CB 3.33Å; A679-L683 PolarHBondContact O-N 2.94Å; E680-L683 WeakPolarHBondContact O-CB 3.48Å; E680-L683 PolarHBondContact O-N 3.22Å; R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 3.22Å; L683-T687 HydrophobicContact CD1-CG2 4.4Å; L683-T687 WeakPolarHBondContact O-CA 3.35Å; L683-T687 WeakPolarHBondContact O-CB 3.03Å; L683-T687 PolarHBondContact O-N 3.15Å; L683-L688 HydrophobicContact CD2-CD1 4.31Å; L683-L688 HydrophobicContact CG-CD1 4.32Å; L683-L688 HydrophobicContact CG-CD2 4.42Å; L683-L688 HydrophobicContact CG-CG 4.25Å; L683-L688 PolarHBondContact O-N 3.23Å; L683-L688 VanDerWaalsContact O-N 3.11Å; L683-L868 HydrophobicContact CD2-CB 3.7Å; L683-L868 HydrophobicContact CD2-CD1 4.17Å; L683-L868 HydrophobicContact CD2-CG 4.45Å; L683-F871 HydrophobicContact CD2-CD1 4.02Å; L683-F871 HydrophobicContact CD2-CE1 4.33Å; L683-A872 HydrophobicContact CD2-CB 4.24Å |
| 684 | I | 84.6 | Confident | 79.5 | Confident | 0.666667 Ų | 0.666667 | 38.9 Ų | 38.9 | 0% | 0.003 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -58.8 | -52.8 | 176.7 | -70.2 | 160.6 | 0 | 0 | 0 | 110 | I670 E680 R681 L688 V689 L706 L740 F871 F875 | I670-I684 HydrophobicContact CD1-CD1 4.21Å; I670-I684 HydrophobicContact CD1-CG2 3.66Å; E680-I684 WeakPolarHBondContact O-CB 3.38Å; E680-I684 WeakPolarHBondContact O-CD1 3.45Å; E680-I684 VanDerWaalsContact O-CG1 3.23Å; E680-I684 WeakPolarHBondContact O-CG1 3.47Å; E680-I684 PolarHBondContact O-N 3.03Å; R681-I684 PolarHBondContact O-N 3.03Å; I684-L688 HydrophobicContact CG1-CD1 4Å; I684-L688 PolarHBondContact O-N 3Å; I684-L688 VanDerWaalsContact O-N 3.13Å; I684-V689 HydrophobicContact CG2-CG2 3.55Å; I684-V689 VanDerWaalsContact CG2-CG2 3.44Å; I684-V689 WeakPolarHBondContact O-CB 3.42Å; I684-V689 VanDerWaalsContact O-CG2 3.28Å; I684-V689 WeakPolarHBondContact O-CG2 3.3Å; I684-V689 PolarHBondContact O-N 2.95Å; I684-L706 HydrophobicContact CG2-CD1 4.26Å; I684-L706 HydrophobicContact CG2-CD2 4.23Å; I684-L740 HydrophobicContact CD1-CD1 3.81Å; I684-L740 HydrophobicContact CD1-CD2 4.47Å; I684-F871 HydrophobicContact CD1-CE1 4.18Å; I684-F871 HydrophobicContact CD1-CZ 3.79Å; I684-F871 HydrophobicContact CG1-CE1 3.97Å; I684-F871 HydrophobicContact CG1-CZ 4.01Å; I684-F875 HydrophobicContact CD1-CD2 4.43Å; I684-F875 HydrophobicContact CD1-CE2 3.96Å; I684-F875 HydrophobicContact CD1-CZ 4.28Å; I684-F875 HydrophobicContact CG1-CD2 4.43Å; I684-F875 HydrophobicContact CG1-CE1 4.34Å; I684-F875 HydrophobicContact CG1-CE2 4.05Å; I684-F875 HydrophobicContact CG1-CZ 4.01Å; I684-F875 HydrophobicContact CG2-CE1 4.11Å; I684-F875 HydrophobicContact CG2-CE2 4.35Å; I684-F875 HydrophobicContact CG2-CZ 3.73Å |
| 685 | Y | 76.4 | Confident | 79.4 | Confident | 62.3333 Ų | 62.3333 | 37.9 Ų | 37.9 | 24% | 0.244 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -70.3 | -44.1 | -172.5 | -146.9 | -96.2 | 0 | 0 | 0 | 112.9 | I670 R681 D682 P690 L706 D708 I711 F1374 | I670-Y685 HydrophobicContact CD1-CE2 3.95Å; R681-Y685 WeakPolarHBondContact O-CB 3.44Å; R681-Y685 WeakPolarHBondContact O-CD2 3.24Å; R681-Y685 PolarHBondContact O-N 3.05Å; D682-Y685 PolarHBondContact O-N 3.44Å; Y685-P690 WeakPolarHBondContact O-CD 3.42Å; Y685-L706 HydrophobicContact CD2-CD2 4.33Å; Y685-L706 HydrophobicContact CE1-CD2 3.98Å; Y685-L706 HydrophobicContact CE2-CD2 3.7Å; Y685-L706 HydrophobicContact CE2-CG 4.46Å; Y685-L706 VanDerWaalsContact CZ-CD2 3.45Å; Y685-L706 WeakPolarHBondContact OH-CD2 3.36Å; Y685-L706 WeakPolarHBondContact OH-CG 3.23Å; Y685-L706 PolarHBondContact OH-O 3.45Å; Y685-D708 HydrophobicContact CE2-CB 3.79Å; Y685-D708 WeakPolarHBondContact OH-CB 3.48Å; Y685-D708 PolarHBondContact OH-N 3.24Å; Y685-I711 HydrophobicContact CD1-CD1 3.76Å; Y685-I711 HydrophobicContact CD2-CD1 3.74Å; Y685-I711 HydrophobicContact CE1-CD1 3.98Å; Y685-I711 HydrophobicContact CE2-CD1 3.67Å; Y685-I711 HydrophobicContact CG-CD1 3.52Å; Y685-I711 VanDerWaalsContact CG-CD1 3.4Å; Y685-F1374 HydrophobicContact CE1-CD2 4.3Å; Y685-F1374 AromaticContact CE1-CE2 3.63Å; Y685-F1374 HydrophobicContact CE1-CE2 3.63Å; Y685-F1374 HydrophobicContact CE1-CZ 4.26Å |
| 686 | H | 74.7 | Confident | 79.1 | Confident | 102 Ų | 102 | 34.3 Ų | 34.3 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -84.3 | -32.1 | -175.8 | -68 | -60.2 | 0 | 0 | 0 | 113.6 | Y652 D682 P690 | Y652-H686 WeakPolarHBondContact CE1-O 3.22Å; Y652-H686 HydrophobicContact CE2-CB 4.27Å; Y652-H686 WeakPolarHBondContact CE2-O 3.33Å; Y652-H686 PolarHBondContact OH-O 3Å; D682-H686 VanDerWaalsContact O-CB 3.28Å; D682-H686 WeakPolarHBondContact O-CB 3.41Å; D682-H686 PolarHBondContact O-CD2 3.11Å; D682-H686 VanDerWaalsContact O-CD2 3.29Å; D682-H686 PolarHBondContact O-N 3.07Å; H686-P690 WeakPolarHBondContact O-CG 3.45Å |
| 687 | T | 77.7 | Confident | 78.2 | Confident | 59 Ų | 59 | 36.7 Ų | 36.7 | 36% | 0.362 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -117.9 | -52 | -171.1 | -49.4 | 0 | 0 | 0 | 0 | 113.2 | Y652 L683 N691 | Y652-T687 PolarHBondContact OH-OG1 3.43Å; Y652-T687 VanDerWaalsContact OH-OG1 3.04Å; L683-T687 HydrophobicContact CD1-CG2 4.4Å; L683-T687 WeakPolarHBondContact O-CA 3.35Å; L683-T687 WeakPolarHBondContact O-CB 3.03Å; L683-T687 PolarHBondContact O-N 3.15Å; T687-N691 VanDerWaalsContact O-CG 3.29Å; T687-N691 PolarHBondContact O-N 2.99Å; T687-N691 PolarHBondContact O-ND2 3.2Å |
| 688 | L | 83.4 | Confident | 77.1 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -75.9 | -44.4 | -168.8 | -51.6 | 179.5 | 0 | 0 | 0 | 112.9 | L683 I684 N691 L692 F871 A872 F875 L876 | L683-L688 HydrophobicContact CD2-CD1 4.31Å; L683-L688 HydrophobicContact CG-CD1 4.32Å; L683-L688 HydrophobicContact CG-CD2 4.42Å; L683-L688 HydrophobicContact CG-CG 4.25Å; L683-L688 PolarHBondContact O-N 3.23Å; L683-L688 VanDerWaalsContact O-N 3.11Å; I684-L688 HydrophobicContact CG1-CD1 4Å; I684-L688 PolarHBondContact O-N 3Å; I684-L688 VanDerWaalsContact O-N 3.13Å; L688-N691 PolarHBondContact O-N 3.1Å; L688-L692 WeakPolarHBondContact O-CB 3.29Å; L688-L692 PolarHBondContact O-N 3.12Å; L688-F871 HydrophobicContact CD1-CE1 4.26Å; L688-A872 HydrophobicContact CD1-CB 4.25Å; L688-A872 HydrophobicContact CD2-CB 3.55Å; L688-F875 HydrophobicContact CB-CD1 4.07Å; L688-F875 HydrophobicContact CB-CE1 4.14Å; L688-F875 HydrophobicContact CD1-CB 4.16Å; L688-F875 HydrophobicContact CD1-CD1 3.65Å; L688-F875 HydrophobicContact CD1-CE1 4.26Å; L688-F875 HydrophobicContact CD1-CG 4.04Å; L688-F875 HydrophobicContact CG-CD1 4.44Å; L688-L876 HydrophobicContact CB-CD2 4.19Å; L688-L876 HydrophobicContact CB-CG 4.38Å; L688-L876 HydrophobicContact CD2-CD1 3.93Å; L688-L876 HydrophobicContact CD2-CG 4.17Å; L688-L876 WeakPolarHBondContact O-CD2 3.28Å |
| 689 | V | 77.9 | Confident | 76.1 | Confident | 17.6667 Ų | 17.6667 | 45 Ų | 45 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | -175.9 | 171.4 | 0 | 0 | 0 | 0 | 112.7 | I684 N691 L692 C693 L706 F875 | I684-V689 HydrophobicContact CG2-CG2 3.55Å; I684-V689 VanDerWaalsContact CG2-CG2 3.44Å; I684-V689 WeakPolarHBondContact O-CB 3.42Å; I684-V689 VanDerWaalsContact O-CG2 3.28Å; I684-V689 WeakPolarHBondContact O-CG2 3.3Å; I684-V689 PolarHBondContact O-N 2.95Å; V689-N691 VanDerWaalsContact C-N 3.32Å; V689-N691 PolarHBondContact O-N 3.24Å; V689-L692 PolarHBondContact O-N 3.01Å; V689-C693 WeakPolarHBondContact O-CB 3.38Å; V689-C693 PolarHBondContact O-N 3.1Å; V689-C693 PolarHBondContact O-SG 3.15Å; V689-L706 HydrophobicContact CB-CD2 4.2Å; V689-L706 HydrophobicContact CG1-CB 4.37Å; V689-L706 HydrophobicContact CG1-CD2 4.22Å; V689-L706 HydrophobicContact CG2-CB 4.45Å; V689-L706 HydrophobicContact CG2-CD1 3.6Å; V689-L706 HydrophobicContact CG2-CD2 3.74Å; V689-L706 HydrophobicContact CG2-CG 4.22Å; V689-F875 HydrophobicContact CG2-CE1 4.48Å |
| 690 | P | 72.9 | Confident | 74.9 | Confident | 47.6667 Ų | 47.6667 | 44.8 Ų | 44.8 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 171.9 | -27.4 | 36.5 | 0 | 0 | 0 | 112.6 | Y685 H686 C693 Q694 | Y685-P690 WeakPolarHBondContact O-CD 3.42Å; H686-P690 WeakPolarHBondContact O-CG 3.45Å; P690-C693 PolarHBondContact O-N 3.02Å; P690-Q694 WeakPolarHBondContact O-CB 3.34Å; P690-Q694 PolarHBondContact O-N 3.13Å |
| 691 | N | 77.3 | Confident | 73.6 | Confident | 69.6667 Ų | 69.6667 | 47.2 Ų | 47.2 | 37% | 0.373 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 177.7 | -69 | -11.6 | 0 | 0 | 0 | 111.8 | T687 L688 V689 Q694 N695 | T687-N691 VanDerWaalsContact O-CG 3.29Å; T687-N691 PolarHBondContact O-N 2.99Å; T687-N691 PolarHBondContact O-ND2 3.2Å; L688-N691 PolarHBondContact O-N 3.1Å; V689-N691 VanDerWaalsContact C-N 3.32Å; V689-N691 PolarHBondContact O-N 3.24Å; N691-Q694 PolarHBondContact O-N 3.13Å; N691-N695 WeakPolarHBondContact O-CB 3.5Å; N691-N695 VanDerWaalsContact O-CG 3.28Å; N691-N695 PolarHBondContact O-N 3.14Å; N691-N695 PolarHBondContact O-OD1 3.2Å |
| 692 | L | 78.2 | Confident | 72.5 | Confident | 1.33333 Ų | 1.33333 | 47.1 Ų | 47.1 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.8 | -173.8 | 73.6 | 0 | 0 | 0 | 111.4 | L688 V689 Q694 N695 V696 I704 L876 L879 E880 L883 | L688-L692 WeakPolarHBondContact O-CB 3.29Å; L688-L692 PolarHBondContact O-N 3.12Å; V689-L692 PolarHBondContact O-N 3.01Å; L692-Q694 VanDerWaalsContact C-N 3.3Å; L692-Q694 PolarHBondContact O-N 3.46Å; L692-N695 PolarHBondContact O-N 2.97Å; L692-V696 HydrophobicContact CD1-CG2 3.99Å; L692-V696 HydrophobicContact CG-CG2 4.3Å; L692-V696 VanDerWaalsContact O-CB 3.27Å; L692-V696 WeakPolarHBondContact O-CB 3.28Å; L692-V696 VanDerWaalsContact O-CG2 3.24Å; L692-V696 WeakPolarHBondContact O-CG2 3.38Å; L692-V696 PolarHBondContact O-N 3.17Å; L692-I704 HydrophobicContact CB-CD1 4.5Å; L692-I704 HydrophobicContact CD2-CD1 3.6Å; L692-I704 VanDerWaalsContact CD2-CD1 3.41Å; L692-I704 HydrophobicContact CD2-CG2 4.45Å; L692-I704 HydrophobicContact CG-CD1 3.66Å; L692-L876 HydrophobicContact CB-CD2 3.88Å; L692-L876 HydrophobicContact CD1-CD2 4.16Å; L692-L879 HydrophobicContact CD1-CB 4Å; L692-L879 HydrophobicContact CD1-CD1 4.49Å; L692-L879 HydrophobicContact CD2-CB 3.97Å; L692-L879 HydrophobicContact CD2-CD1 3.69Å; L692-L879 HydrophobicContact CD2-CG 4.44Å; L692-E880 HydrophobicContact CD1-CB 4.46Å; L692-E880 HydrophobicContact CD1-CG 3.56Å; L692-L883 HydrophobicContact CD1-CD1 4.41Å; L692-L883 HydrophobicContact CD2-CD1 4.36Å; L692-L883 HydrophobicContact CG-CD1 4.48Å |
| 693 | C | 72 | Confident | 71.8 | Confident | 33.3333 Ų | 33.3333 | 45.4 Ų | 45.4 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 177.7 | -70 | 0 | 0 | 0 | 0 | 111.5 | V689 P690 A697 | V689-C693 WeakPolarHBondContact O-CB 3.38Å; V689-C693 PolarHBondContact O-N 3.1Å; V689-C693 PolarHBondContact O-SG 3.15Å; P690-C693 PolarHBondContact O-N 3.02Å; C693-A697 WeakPolarHBondContact O-CB 3.34Å; C693-A697 PolarHBondContact O-N 3.22Å |
| 694 | Q | 69.6 | Low | 71.2 | Confident | 107.333 Ų | 107.333 | 44 Ų | 44 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -47 | 176.1 | -146.7 | 179.7 | -13.5 | 0 | 0 | 112.1 | P690 N691 L692 V696 Q698 | P690-Q694 WeakPolarHBondContact O-CB 3.34Å; P690-Q694 PolarHBondContact O-N 3.13Å; N691-Q694 PolarHBondContact O-N 3.13Å; L692-Q694 VanDerWaalsContact C-N 3.3Å; L692-Q694 PolarHBondContact O-N 3.46Å; Q694-V696 VanDerWaalsContact C-N 3.34Å; Q694-V696 PolarHBondContact O-N 2.92Å; Q694-Q698 VanDerWaalsContact O-CG 3.31Å; Q694-Q698 WeakPolarHBondContact O-CG 3.4Å; Q694-Q698 PolarHBondContact O-N 3.39Å; Q694-Q698 VanDerWaalsContact O-N 3.17Å |
| 695 | N | 70.5 | Confident | 70.7 | Confident | 60.6667 Ų | 60.6667 | 45.7 Ų | 45.7 | 32% | 0.324 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | -180 | -72 | -6.5 | 0 | 0 | 0 | 112.1 | N691 L692 Q698 T699 E880 | N691-N695 WeakPolarHBondContact O-CB 3.5Å; N691-N695 VanDerWaalsContact O-CG 3.28Å; N691-N695 PolarHBondContact O-N 3.14Å; N691-N695 PolarHBondContact O-OD1 3.2Å; L692-N695 PolarHBondContact O-N 2.97Å; N695-Q698 WeakPolarHBondContact O-CB 3.45Å; N695-Q698 PolarHBondContact O-N 3.16Å; N695-Q698 VanDerWaalsContact O-N 3.12Å; N695-T699 WeakPolarHBondContact O-CB 3.31Å; N695-T699 WeakPolarHBondContact O-CG2 3.31Å; N695-T699 PolarHBondContact O-N 3.13Å; N695-T699 VanDerWaalsContact O-N 3.08Å; N695-T699 PolarHBondContact O-OG1 2.86Å; N695-E880 WeakPolarHBondContact CB-OE1 3.26Å; N695-E880 PolarHBondContact ND2-OE1 2.96Å |
| 696 | V | 68.3 | Low | 70.7 | Confident | 2.33333 Ų | 2.33333 | 44 Ų | 44 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.2 | -41.9 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L692 Q694 Q698 T699 C700 S701 T702 I704 L883 | L692-V696 HydrophobicContact CD1-CG2 3.99Å; L692-V696 HydrophobicContact CG-CG2 4.3Å; L692-V696 VanDerWaalsContact O-CB 3.27Å; L692-V696 WeakPolarHBondContact O-CB 3.28Å; L692-V696 VanDerWaalsContact O-CG2 3.24Å; L692-V696 WeakPolarHBondContact O-CG2 3.38Å; L692-V696 PolarHBondContact O-N 3.17Å; Q694-V696 VanDerWaalsContact C-N 3.34Å; Q694-V696 PolarHBondContact O-N 2.92Å; V696-Q698 PolarHBondContact O-N 3.25Å; V696-Q698 VanDerWaalsContact O-N 3.07Å; V696-T699 PolarHBondContact O-N 3.08Å; V696-C700 HydrophobicContact CG1-CB 4.08Å; V696-C700 CarbonylContact O-C 3.59Å; V696-C700 PolarHBondContact O-N 3.13Å; V696-S701 PolarHBondContact O-N 2.85Å; V696-T702 WeakPolarHBondContact CG1-O 3.42Å; V696-I704 HydrophobicContact CB-CD1 4.07Å; V696-I704 HydrophobicContact CG1-CD1 4.2Å; V696-I704 HydrophobicContact CG1-CG1 4.3Å; V696-I704 HydrophobicContact CG2-CD1 3.99Å; V696-L883 HydrophobicContact CB-CD1 4.43Å; V696-L883 HydrophobicContact CG1-CB 4.49Å; V696-L883 HydrophobicContact CG1-CD1 4.29Å; V696-L883 HydrophobicContact CG2-CB 4.33Å; V696-L883 HydrophobicContact CG2-CD1 3.62Å |
| 697 | A | 63.5 | Low | 70.8 | Confident | 48.6667 Ų | 48.6667 | 39.6 Ų | 39.6 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.1 | -26.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M658 C693 | M658-A697 WeakPolarHBondContact CE-O 3.39Å; C693-A697 WeakPolarHBondContact O-CB 3.34Å; C693-A697 PolarHBondContact O-N 3.22Å |
| 698 | Q | 63.8 | Low | 70.9 | Confident | 136.333 Ų | 136.333 | 37.2 Ų | 37.2 | 64% | 0.637 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -83 | -27.2 | 174.5 | -70.8 | 177.6 | 11.4 | 0 | 0 | 113.9 | Q694 N695 V696 | Q694-Q698 VanDerWaalsContact O-CG 3.31Å; Q694-Q698 WeakPolarHBondContact O-CG 3.4Å; Q694-Q698 PolarHBondContact O-N 3.39Å; Q694-Q698 VanDerWaalsContact O-N 3.17Å; N695-Q698 WeakPolarHBondContact O-CB 3.45Å; N695-Q698 PolarHBondContact O-N 3.16Å; N695-Q698 VanDerWaalsContact O-N 3.12Å; V696-Q698 PolarHBondContact O-N 3.25Å; V696-Q698 VanDerWaalsContact O-N 3.07Å |
| 699 | T | 62.3 | Low | 70.6 | Confident | 62.3333 Ų | 62.3333 | 37.4 Ų | 37.4 | 38% | 0.382 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -112.8 | -26.2 | -168.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | N695 V696 | N695-T699 WeakPolarHBondContact O-CB 3.31Å; N695-T699 WeakPolarHBondContact O-CG2 3.31Å; N695-T699 PolarHBondContact O-N 3.13Å; N695-T699 VanDerWaalsContact O-N 3.08Å; N695-T699 PolarHBondContact O-OG1 2.86Å; V696-T699 PolarHBondContact O-N 3.08Å |
| 700 | C | 60 | Low | 70.4 | Confident | 6.66667 Ų | 6.66667 | 37.5 Ų | 37.5 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -134.9 | 114 | -175.1 | -56 | 0 | 0 | 0 | 0 | 110.8 | V696 T702 | V696-C700 HydrophobicContact CG1-CB 4.08Å; V696-C700 CarbonylContact O-C 3.59Å; V696-C700 PolarHBondContact O-N 3.13Å; C700-T702 VanDerWaalsContact CB-OG1 3.3Å; C700-T702 WeakPolarHBondContact CB-OG1 3.4Å; C700-T702 PolarHBondContact O-N 2.92Å; C700-T702 PolarHBondContact O-OG1 2.87Å |
| 701 | S | 61.7 | Low | 70.1 | Confident | 51.3333 Ų | 51.3333 | 37.8 Ų | 37.8 | 36% | 0.359 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -47.5 | 54.5 | 176.3 | -17.8 | 0 | 0 | 0 | 0 | 111 | N664 V696 N892 K896 | N664-S701 PolarHBondContact N-O 3.08Å; V696-S701 PolarHBondContact O-N 2.85Å; S701-N892 PolarHBondContact OG-ND2 3.44Å; S701-K896 PolarHBondContact OG-NZ 3.39Å; S701-K896 VanDerWaalsContact OG-NZ 3.12Å |
| 702 | T | 62.3 | Low | 69.3 | Low | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.9 | -171.5 | -48.5 | 0 | 0 | 0 | 0 | 110.8 | N664 C666 V696 C700 Y887 | N664-T702 HydrophobicContact CB-CG2 4.02Å; N664-T702 CarbonylContact O-C 3.56Å; N664-T702 VanDerWaalsContact O-CA 3.23Å; N664-T702 WeakPolarHBondContact O-CA 3.41Å; N664-T702 WeakPolarHBondContact O-CG2 3.41Å; C666-T702 HydrophobicContact CB-CG2 4.04Å; V696-T702 WeakPolarHBondContact CG1-O 3.42Å; C700-T702 VanDerWaalsContact CB-OG1 3.3Å; C700-T702 WeakPolarHBondContact CB-OG1 3.4Å; C700-T702 PolarHBondContact O-N 2.92Å; C700-T702 PolarHBondContact O-OG1 2.87Å; T702-Y887 HydrophobicContact CG2-CD1 4.29Å; T702-Y887 HydrophobicContact CG2-CD2 3.88Å; T702-Y887 HydrophobicContact CG2-CE1 4.39Å; T702-Y887 HydrophobicContact CG2-CE2 4.16Å; T702-Y887 HydrophobicContact CG2-CG 3.95Å; T702-Y887 VanDerWaalsContact OG1-CB 3.27Å; T702-Y887 WeakPolarHBondContact OG1-CB 3.26Å |
| 703 | C | 65.5 | Low | 68.6 | Low | 31 Ų | 31 | 37.8 Ų | 37.8 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.4 | 172.4 | -153.4 | 0 | 0 | 0 | 0 | 110.6 | M658 D663 N664 F665 C666 | M658-C703 HydrophobicContact CE-CB 4.01Å; M658-C703 WeakPolarHBondContact CE-SG 3Å; D663-C703 HydrophobicContact CB-CB 4.46Å; N664-C703 PolarHBondContact O-N 3.14Å; F665-C703 CarbonylContact C-O 3.6Å; F665-C703 VanDerWaalsContact CA-O 3.31Å; F665-C703 WeakPolarHBondContact CA-O 3.37Å; F665-C703 HydrophobicContact CD1-CB 3.55Å; F665-C703 VanDerWaalsContact CD1-SG 3.55Å; F665-C703 HydrophobicContact CE1-CB 3.55Å; F665-C703 VanDerWaalsContact CE1-SG 3.51Å; F665-C703 HydrophobicContact CG-CB 4.3Å; F665-C703 HydrophobicContact CZ-CB 4.27Å; C666-C703 PolarHBondContact N-O 2.86Å |
| 704 | I | 72.7 | Confident | 68.1 | Low | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.7 | 178 | -54.6 | 173.1 | 0 | 0 | 0 | 109.2 | C666 V668 L692 V696 L883 K1301 | C666-I704 WeakPolarHBondContact O-CA 3.25Å; V668-I704 HydrophobicContact CG2-CG2 3.81Å; L692-I704 HydrophobicContact CB-CD1 4.5Å; L692-I704 HydrophobicContact CD2-CD1 3.6Å; L692-I704 VanDerWaalsContact CD2-CD1 3.41Å; L692-I704 HydrophobicContact CD2-CG2 4.45Å; L692-I704 HydrophobicContact CG-CD1 3.66Å; V696-I704 HydrophobicContact CB-CD1 4.07Å; V696-I704 HydrophobicContact CG1-CD1 4.2Å; V696-I704 HydrophobicContact CG1-CG1 4.3Å; V696-I704 HydrophobicContact CG2-CD1 3.99Å; I704-L883 HydrophobicContact CD1-CD1 3.52Å; I704-L883 VanDerWaalsContact CD1-CD1 3.45Å; I704-L883 HydrophobicContact CG1-CD1 4.12Å; I704-K1301 PolarHBondContact O-NZ 3.49Å |
| 705 | D | 72.8 | Confident | 67.8 | Low | 36 Ų | 36 | 38.6 Ų | 38.6 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 108.6 | 171.5 | -177.3 | 28.3 | 0 | 0 | 0 | 109 | C666 R667 V668 | C666-D705 PolarHBondContact O-N 3.17Å; R667-D705 CarbonylContact C-O 3.57Å; R667-D705 WeakPolarHBondContact CA-O 3.4Å; R667-D705 HydrophobicContact CG-CB 4.39Å; R667-D705 IonicContact CZ-OD2 3.42Å; R667-D705 VanDerWaalsContact CZ-OD2 3.31Å; R667-D705 IonicContact NE-OD2 2.81Å; R667-D705 PolarHBondContact NE-OD2 3.16Å; R667-D705 IonicContact NH2-OD2 3.98Å; R667-D705 PolarHBondContact NH2-OD2 2.9Å; V668-D705 PolarHBondContact N-O 3.07Å |
| 706 | L | 78 | Confident | 67.4 | Low | 27.6667 Ų | 27.6667 | 41.6 Ų | 41.6 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.5 | -178.6 | -169.7 | 93 | 0 | 0 | 0 | 110.1 | V668 I670 I684 Y685 V689 D708 | V668-L706 HydrophobicContact CB-CD1 4.03Å; V668-L706 HydrophobicContact CG1-CD1 3.97Å; V668-L706 WeakPolarHBondContact O-CA 3.24Å; I670-L706 HydrophobicContact CD1-CD1 3.59Å; I670-L706 VanDerWaalsContact CD1-CD1 3.48Å; I670-L706 HydrophobicContact CD1-CD2 3.83Å; I670-L706 HydrophobicContact CD1-CG 3.91Å; I670-L706 HydrophobicContact CG1-CD1 4.08Å; I670-L706 HydrophobicContact CG1-CG 4.46Å; I684-L706 HydrophobicContact CG2-CD1 4.26Å; I684-L706 HydrophobicContact CG2-CD2 4.23Å; Y685-L706 HydrophobicContact CD2-CD2 4.33Å; Y685-L706 HydrophobicContact CE1-CD2 3.98Å; Y685-L706 HydrophobicContact CE2-CD2 3.7Å; Y685-L706 HydrophobicContact CE2-CG 4.46Å; Y685-L706 VanDerWaalsContact CZ-CD2 3.45Å; Y685-L706 WeakPolarHBondContact OH-CD2 3.36Å; Y685-L706 WeakPolarHBondContact OH-CG 3.23Å; Y685-L706 PolarHBondContact OH-O 3.45Å; V689-L706 HydrophobicContact CB-CD2 4.2Å; V689-L706 HydrophobicContact CG1-CB 4.37Å; V689-L706 HydrophobicContact CG1-CD2 4.22Å; V689-L706 HydrophobicContact CG2-CB 4.45Å; V689-L706 HydrophobicContact CG2-CD1 3.6Å; V689-L706 HydrophobicContact CG2-CD2 3.74Å; V689-L706 HydrophobicContact CG2-CG 4.22Å; L706-D708 HydrophobicContact CD2-CB 4.33Å |
| 707 | V | 76.3 | Confident | 67.3 | Low | 7.66667 Ų | 7.66667 | 43.9 Ų | 43.9 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.1 | -178.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | R667 V668 Y669 I670 L709 Q730 | R667-V707 HydrophobicContact CG-CG2 3.92Å; V668-V707 PolarHBondContact O-N 3.14Å; Y669-V707 WeakPolarHBondContact CA-O 3.36Å; Y669-V707 HydrophobicContact CD2-CB 3.95Å; Y669-V707 HydrophobicContact CD2-CG1 3.75Å; Y669-V707 HydrophobicContact CE2-CG1 3.98Å; I670-V707 PolarHBondContact N-O 3.37Å; V707-L709 HydrophobicContact CG1-CD2 4.09Å; V707-L709 HydrophobicContact CG1-CG 4.08Å; V707-Q730 HydrophobicContact CG1-CB 4.28Å; V707-Q730 HydrophobicContact CG1-CG 4.35Å |
| 708 | D | 79 | Confident | 67.6 | Low | 9.66667 Ų | 9.66667 | 42.6 Ų | 42.6 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | trans | -122.2 | 107.5 | 167.7 | -171.8 | -17.4 | 0 | 0 | 0 | 109.3 | I670 R681 Y685 L706 R710 I711 | I670-D708 HydrophobicContact CB-CB 4.46Å; R681-D708 WeakPolarHBondContact CD-OD2 2.86Å; R681-D708 IonicContact CZ-OD1 3.02Å; R681-D708 IonicContact CZ-OD2 2.97Å; R681-D708 IonicContact NE-OD1 3.01Å; R681-D708 IonicContact NE-OD2 3.81Å; R681-D708 PolarHBondContact NE-OD2 2.97Å; R681-D708 IonicContact NH1-OD1 3.35Å; R681-D708 PolarHBondContact NH1-OD1 2.76Å; R681-D708 IonicContact NH1-OD2 2.84Å; R681-D708 PolarHBondContact NH1-OD2 2.78Å; R681-D708 IonicContact NH2-OD1 2.91Å; R681-D708 PolarHBondContact NH2-OD1 2.99Å; R681-D708 IonicContact NH2-OD2 2.76Å; R681-D708 PolarHBondContact NH2-OD2 3.34Å; Y685-D708 HydrophobicContact CE2-CB 3.79Å; Y685-D708 WeakPolarHBondContact OH-CB 3.48Å; Y685-D708 PolarHBondContact OH-N 3.24Å; L706-D708 HydrophobicContact CD2-CB 4.33Å; D708-R710 PolarHBondContact O-N 3.39Å; D708-R710 WeakPolarHBondContact OD1-CB 3.17Å; D708-R710 WeakPolarHBondContact OD1-CG 3.04Å; D708-R710 PolarHBondContact OD1-N 3.03Å; D708-I711 HydrophobicContact CB-CD1 3.81Å; D708-I711 HydrophobicContact CB-CG1 4.13Å; D708-I711 HydrophobicContact CB-CG2 4.41Å; D708-I711 WeakPolarHBondContact O-CG2 3.28Å; D708-I711 PolarHBondContact OD1-N 2.84Å | ||
| 709 | L | 77.5 | Confident | 68.3 | Low | 8.33333 Ų | 8.33333 | 38.7 Ų | 38.7 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 2.5 | -176.4 | -64.4 | 176 | 0 | 0 | 0 | 114 | Y669 V707 M726 Y727 Q730 F1374 H1377 | Y669-L709 HydrophobicContact CE2-CD1 3.94Å; Y669-L709 HydrophobicContact CE2-CG 4.25Å; Y669-L709 WeakPolarHBondContact OH-CD1 3.42Å; V707-L709 HydrophobicContact CG1-CD2 4.09Å; V707-L709 HydrophobicContact CG1-CG 4.08Å; L709-M726 HydrophobicContact CB-CE 4.02Å; L709-M726 HydrophobicContact CD1-CB 4.33Å; L709-M726 HydrophobicContact CD1-CE 3.97Å; L709-M726 HydrophobicContact CD1-CG 3.81Å; L709-M726 HydrophobicContact CD1-SD 4.35Å; L709-M726 HydrophobicContact CD2-CE 3.85Å; L709-M726 HydrophobicContact CD2-CG 4.3Å; L709-M726 HydrophobicContact CD2-SD 3.68Å; L709-M726 HydrophobicContact CG-CE 4.15Å; L709-Y727 HydrophobicContact CB-CD1 3.94Å; L709-Y727 HydrophobicContact CB-CE1 3.69Å; L709-Y727 HydrophobicContact CD1-CD1 3.68Å; L709-Y727 HydrophobicContact CD1-CE1 4.23Å; L709-Y727 HydrophobicContact CG-CD1 4.43Å; L709-Q730 HydrophobicContact CD1-CB 3.92Å; L709-Q730 HydrophobicContact CD1-CG 3.81Å; L709-Q730 HydrophobicContact CD2-CG 4.32Å; L709-Q730 HydrophobicContact CG-CG 4.46Å; L709-F1374 HydrophobicContact CB-CD2 4.25Å; L709-H1377 HydrophobicContact CD2-CB 4.28Å |
| 710 | R | 74 | Confident | 69.1 | Low | 20.3333 Ų | 20.3333 | 37.1 Ų | 37.1 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -18.6 | 178.1 | -57.2 | -179.6 | 174.5 | 138.5 | 2.5 | 112.6 | S672 S673 Y674 M677 R681 D708 G712 V713 Y727 E779 | S672-R710 VanDerWaalsContact C-NH1 3.28Å; S672-R710 WeakPolarHBondContact O-CD 3.21Å; S672-R710 PolarHBondContact O-NH1 3.29Å; S672-R710 PolarHBondContact OG-NH2 3.23Å; S673-R710 PolarHBondContact O-NH2 3.11Å; Y674-R710 HydrophobicContact CD2-CB 4.16Å; Y674-R710 VanDerWaalsContact CD2-CD 3.45Å; Y674-R710 HydrophobicContact CD2-CG 3.45Å; Y674-R710 VanDerWaalsContact CD2-CG 3.45Å; Y674-R710 HydrophobicContact CE2-CB 4.06Å; Y674-R710 HydrophobicContact CE2-CG 3.32Å; Y674-R710 WeakPolarHBondContact CE2-O 3.27Å; Y674-R710 PolarHBondContact O-NH1 3.01Å; Y674-R710 PolarHBondContact O-NH2 3.08Å; M677-R710 PolarHBondContact O-NH2 3.48Å; R681-R710 VanDerWaalsContact CD-NE 3.27Å; D708-R710 PolarHBondContact O-N 3.39Å; D708-R710 WeakPolarHBondContact OD1-CB 3.17Å; D708-R710 WeakPolarHBondContact OD1-CG 3.04Å; D708-R710 PolarHBondContact OD1-N 3.03Å; R710-G712 PolarHBondContact O-N 3.19Å; R710-V713 PolarHBondContact O-N 3.44Å; R710-Y727 HydrophobicContact CG-CE1 3.99Å; R710-E779 IonicContact CZ-OE1 3.12Å; R710-E779 IonicContact CZ-OE2 2.97Å; R710-E779 IonicContact NH1-OE1 2.69Å; R710-E779 PolarHBondContact NH1-OE1 3.33Å; R710-E779 IonicContact NH1-OE2 3.01Å; R710-E779 PolarHBondContact NH1-OE2 3.16Å; R710-E779 IonicContact NH2-OE1 3.3Å; R710-E779 PolarHBondContact NH2-OE1 2.91Å; R710-E779 IonicContact NH2-OE2 3.82Å; R710-E779 PolarHBondContact NH2-OE2 3.14Å |
| 711 | I | 66.5 | Low | 70 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 123.3 | -174.8 | -92.9 | 173.7 | 0 | 0 | 0 | 111.1 | Y685 D708 V713 | Y685-I711 HydrophobicContact CD1-CD1 3.76Å; Y685-I711 HydrophobicContact CD2-CD1 3.74Å; Y685-I711 HydrophobicContact CE1-CD1 3.98Å; Y685-I711 HydrophobicContact CE2-CD1 3.67Å; Y685-I711 HydrophobicContact CG-CD1 3.52Å; Y685-I711 VanDerWaalsContact CG-CD1 3.4Å; D708-I711 HydrophobicContact CB-CD1 3.81Å; D708-I711 HydrophobicContact CB-CG1 4.13Å; D708-I711 HydrophobicContact CB-CG2 4.41Å; D708-I711 WeakPolarHBondContact O-CG2 3.28Å; D708-I711 PolarHBondContact OD1-N 2.84Å; I711-V713 PolarHBondContact O-N 2.9Å |
| 712 | G | 60.8 | Low | 70.7 | Confident | 52.3333 Ų | 52.3333 | 40.2 Ų | 40.2 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 7.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R710 T1372 | R710-G712 PolarHBondContact O-N 3.19Å; G712-T1372 WeakPolarHBondContact O-CG2 3.24Å |
| 713 | V | 63.3 | Low | 71.5 | Confident | 18.3333 Ų | 18.3333 | 39.9 Ų | 39.9 | 11% | 0.111 | 23% | 0.234 | C | C | . | . | trans | -100.9 | 124.7 | 179.9 | -173 | 0 | 0 | 0 | 0 | 110 | R710 I711 I717 T718 M726 F1374 | R710-V713 PolarHBondContact O-N 3.44Å; I711-V713 PolarHBondContact O-N 2.9Å; V713-I717 HydrophobicContact CG1-CB 3.85Å; V713-I717 HydrophobicContact CG1-CG2 3.94Å; V713-T718 HydrophobicContact CB-CG2 3.9Å; V713-T718 HydrophobicContact CG1-CG2 3.88Å; V713-M726 HydrophobicContact CG2-CE 4.28Å; V713-F1374 HydrophobicContact CG1-CD1 4.04Å; V713-F1374 HydrophobicContact CG1-CE1 4.44Å; V713-F1374 HydrophobicContact CG2-CB 3.46Å; V713-F1374 VanDerWaalsContact CG2-CB 3.46Å; V713-F1374 HydrophobicContact CG2-CD1 4.03Å; V713-F1374 HydrophobicContact CG2-CG 3.9Å | ||
| 714 | P | 60.8 | Low | 72.4 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | trans | -60.5 | 144 | 174.1 | -6.7 | 10.9 | 0 | 0 | 0 | 111.9 | P640 Q642 T716 I717 T718 G1248 | P640-P714 HydrophobicContact CG-CG 4.23Å; Q642-P714 HydrophobicContact CG-CG 4.37Å; P714-T716 PolarHBondContact O-N 3.22Å; P714-T716 VanDerWaalsContact O-N 3.1Å; P714-I717 HydrophobicContact CB-CD1 4.37Å; P714-I717 HydrophobicContact CB-CG1 4.23Å; P714-I717 HydrophobicContact CG-CD1 3.98Å; P714-I717 HydrophobicContact CG-CG1 4.18Å; P714-I717 PolarHBondContact O-N 3.24Å; P714-T718 PolarHBondContact O-N 3.19Å; P714-T718 VanDerWaalsContact O-N 3.15Å; P714-G1248 WeakPolarHBondContact CG-O 3.28Å | ||
| 715 | E | 63.3 | Low | 72.9 | Confident | 115 Ų | 115 | 39.7 Ų | 39.7 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.2 | -32.7 | -177.2 | -96.3 | -178.3 | 168.1 | 0 | 0 | 113.2 | M675 I717 T718 C719 | M675-E715 WeakPolarHBondContact CG-OE1 3.15Å; E715-I717 PolarHBondContact O-N 3.32Å; E715-I717 VanDerWaalsContact O-N 3.16Å; E715-T718 WeakPolarHBondContact CA-OG1 3.41Å; E715-T718 PolarHBondContact O-N 3.15Å; E715-T718 VanDerWaalsContact O-N 3.07Å; E715-T718 PolarHBondContact O-OG1 2.97Å; E715-T718 VanDerWaalsContact O-OG1 3.1Å; E715-C719 PolarHBondContact O-N 2.91Å |
| 716 | T | 63.1 | Low | 73.3 | Confident | 123.667 Ų | 123.667 | 39 Ų | 39 | 76% | 0.759 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.5 | -26.6 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | P714 | P714-T716 PolarHBondContact O-N 3.22Å; P714-T716 VanDerWaalsContact O-N 3.1Å |
| 717 | I | 67 | Low | 73.7 | Confident | 50.3333 Ų | 50.3333 | 38.3 Ų | 38.3 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -93.7 | -29.2 | -179.5 | -58 | 179.5 | 0 | 0 | 0 | 110.9 | P640 V713 P714 E715 C719 S720 A723 F1374 | P640-I717 VanDerWaalsContact CD-CD1 3.43Å; P640-I717 HydrophobicContact CG-CD1 4.09Å; V713-I717 HydrophobicContact CG1-CB 3.85Å; V713-I717 HydrophobicContact CG1-CG2 3.94Å; P714-I717 HydrophobicContact CB-CD1 4.37Å; P714-I717 HydrophobicContact CB-CG1 4.23Å; P714-I717 HydrophobicContact CG-CD1 3.98Å; P714-I717 HydrophobicContact CG-CG1 4.18Å; P714-I717 PolarHBondContact O-N 3.24Å; E715-I717 PolarHBondContact O-N 3.32Å; E715-I717 VanDerWaalsContact O-N 3.16Å; I717-C719 PolarHBondContact O-N 3.05Å; I717-S720 WeakPolarHBondContact CG2-OG 3.34Å; I717-S720 VanDerWaalsContact O-CB 3.29Å; I717-S720 WeakPolarHBondContact O-CB 3.34Å; I717-S720 PolarHBondContact O-N 3.13Å; I717-S720 PolarHBondContact O-OG 3.15Å; I717-A723 VanDerWaalsContact O-CB 3.26Å; I717-A723 WeakPolarHBondContact O-CB 3.36Å; I717-F1374 HydrophobicContact CG2-CD1 4.2Å; I717-F1374 HydrophobicContact CG2-CE1 3.48Å; I717-F1374 VanDerWaalsContact CG2-CE1 3.48Å; I717-F1374 HydrophobicContact CG2-CZ 4.27Å |
| 718 | T | 69.5 | Low | 74.2 | Confident | 21.3333 Ų | 21.3333 | 37.9 Ų | 37.9 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -24.6 | -179.4 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | V713 P714 E715 A723 Y727 | V713-T718 HydrophobicContact CB-CG2 3.9Å; V713-T718 HydrophobicContact CG1-CG2 3.88Å; P714-T718 PolarHBondContact O-N 3.19Å; P714-T718 VanDerWaalsContact O-N 3.15Å; E715-T718 WeakPolarHBondContact CA-OG1 3.41Å; E715-T718 PolarHBondContact O-N 3.15Å; E715-T718 VanDerWaalsContact O-N 3.07Å; E715-T718 PolarHBondContact O-OG1 2.97Å; E715-T718 VanDerWaalsContact O-OG1 3.1Å; T718-A723 WeakPolarHBondContact O-CB 3.38Å; T718-Y727 WeakPolarHBondContact CA-OH 3.38Å; T718-Y727 WeakPolarHBondContact CB-OH 3.31Å; T718-Y727 WeakPolarHBondContact O-CE2 3.34Å; T718-Y727 PolarHBondContact O-OH 3.02Å |
| 719 | C | 77.1 | Confident | 74.4 | Confident | 54 Ų | 54 | 40.4 Ų | 40.4 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 36.9 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 113 | E715 I717 W747 | E715-C719 PolarHBondContact O-N 2.91Å; I717-C719 PolarHBondContact O-N 3.05Å; C719-W747 VanDerWaalsContact C-CZ2 3.45Å; C719-W747 VanDerWaalsContact CA-CH2 3.45Å; C719-W747 VanDerWaalsContact CA-CZ2 3.47Å; C719-W747 HydrophobicContact CB-CD2 4.01Å; C719-W747 HydrophobicContact CB-CE3 4.41Å; C719-W747 HydrophobicContact CB-CG 4.47Å; C719-W747 HydrophobicContact CB-CH2 4.24Å; C719-W747 HydrophobicContact CB-CZ2 3.78Å; C719-W747 HydrophobicContact CB-CZ3 4.48Å; C719-W747 WeakPolarHBondContact O-CH2 3.37Å; C719-W747 VanDerWaalsContact O-CZ2 3.26Å; C719-W747 WeakPolarHBondContact O-CZ2 3.41Å |
| 720 | S | 79.3 | Confident | 74.6 | Confident | 29.6667 Ų | 29.6667 | 41 Ų | 41 | 21% | 0.207 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -110.3 | 162.8 | -179.8 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | I717 M722 A723 L724 | I717-S720 WeakPolarHBondContact CG2-OG 3.34Å; I717-S720 VanDerWaalsContact O-CB 3.29Å; I717-S720 WeakPolarHBondContact O-CB 3.34Å; I717-S720 PolarHBondContact O-N 3.13Å; I717-S720 PolarHBondContact O-OG 3.15Å; S720-M722 VanDerWaalsContact C-N 3.29Å; S720-M722 PolarHBondContact O-N 3.33Å; S720-A723 WeakPolarHBondContact O-CB 3.4Å; S720-A723 PolarHBondContact O-N 3.11Å; S720-A723 VanDerWaalsContact O-N 3.12Å; S720-A723 WeakPolarHBondContact OG-CB 3.34Å; S720-A723 PolarHBondContact OG-N 2.69Å; S720-L724 PolarHBondContact O-N 3.25Å |
| 721 | L | 79.6 | Confident | 75.2 | Confident | 58.3333 Ų | 58.3333 | 40.1 Ų | 40.1 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.6 | -43.4 | 173.4 | 178.7 | 62.1 | 0 | 0 | 0 | 112.1 | A723 L724 E725 L753 A756 L757 | L721-A723 VanDerWaalsContact C-N 3.28Å; L721-A723 PolarHBondContact O-N 3.15Å; L721-L724 WeakPolarHBondContact O-CB 3.04Å; L721-L724 PolarHBondContact O-N 3.24Å; L721-E725 WeakPolarHBondContact O-CB 3.37Å; L721-E725 PolarHBondContact O-N 3.08Å; L721-L753 HydrophobicContact CB-CD2 4.21Å; L721-L753 HydrophobicContact CB-CG 4.34Å; L721-L753 HydrophobicContact CD1-CD2 4.15Å; L721-L753 HydrophobicContact CD1-CG 4.44Å; L721-L753 VanDerWaalsContact CD1-O 3.3Å; L721-L753 WeakPolarHBondContact CD1-O 3.29Å; L721-A756 HydrophobicContact CD1-CB 4.01Å; L721-A756 HydrophobicContact CD2-CB 3.85Å; L721-A756 WeakPolarHBondContact CD2-O 3.22Å; L721-A756 HydrophobicContact CG-CB 4.46Å; L721-L757 HydrophobicContact CD1-CD2 3.77Å; L721-L757 HydrophobicContact CD1-CG 4.16Å |
| 722 | M | 75.3 | Confident | 76 | Confident | 64.6667 Ų | 64.6667 | 38.4 Ų | 38.4 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 179.8 | -136.6 | 147.8 | 174.4 | 0 | 0 | 112 | S720 L724 E725 M726 S1212 I1378 | S720-M722 VanDerWaalsContact C-N 3.29Å; S720-M722 PolarHBondContact O-N 3.33Å; M722-L724 VanDerWaalsContact C-N 3.34Å; M722-E725 PolarHBondContact O-N 3.35Å; M722-M726 WeakPolarHBondContact O-CB 3.39Å; M722-M726 PolarHBondContact O-N 2.92Å; M722-M726 VanDerWaalsContact O-N 3.14Å; M722-S1212 WeakPolarHBondContact SD-CB 3.37Å; M722-I1378 HydrophobicContact CE-CB 4.29Å; M722-I1378 HydrophobicContact CE-CD1 4.04Å; M722-I1378 HydrophobicContact CE-CG1 3.95Å; M722-I1378 HydrophobicContact CE-CG2 3.45Å; M722-I1378 VanDerWaalsContact CE-CG2 3.45Å; M722-I1378 HydrophobicContact CG-CD1 3.98Å; M722-I1378 HydrophobicContact CG-CG1 4.36Å; M722-I1378 HydrophobicContact SD-CD1 3.72Å; M722-I1378 HydrophobicContact SD-CG1 4.27Å; M722-I1378 HydrophobicContact SD-CG2 4.38Å |
| 723 | A | 80.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I717 T718 S720 L721 E725 M726 Y727 F1374 | I717-A723 VanDerWaalsContact O-CB 3.26Å; I717-A723 WeakPolarHBondContact O-CB 3.36Å; T718-A723 WeakPolarHBondContact O-CB 3.38Å; S720-A723 WeakPolarHBondContact O-CB 3.4Å; S720-A723 PolarHBondContact O-N 3.11Å; S720-A723 VanDerWaalsContact O-N 3.12Å; S720-A723 WeakPolarHBondContact OG-CB 3.34Å; S720-A723 PolarHBondContact OG-N 2.69Å; L721-A723 VanDerWaalsContact C-N 3.28Å; L721-A723 PolarHBondContact O-N 3.15Å; A723-E725 VanDerWaalsContact C-N 3.33Å; A723-E725 PolarHBondContact O-N 3.06Å; A723-M726 PolarHBondContact O-N 3.24Å; A723-M726 VanDerWaalsContact O-N 3.11Å; A723-Y727 VanDerWaalsContact C-CD2 3.45Å; A723-Y727 HydrophobicContact CB-CD2 4.37Å; A723-Y727 HydrophobicContact CB-CE2 3.7Å; A723-Y727 WeakPolarHBondContact O-CB 3.45Å; A723-Y727 WeakPolarHBondContact O-CD2 3.34Å; A723-Y727 PolarHBondContact O-N 2.93Å; A723-F1374 HydrophobicContact CB-CE2 3.96Å; A723-F1374 HydrophobicContact CB-CZ 3.73Å |
| 724 | L | 84.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 175.5 | -178.2 | 63 | 0 | 0 | 0 | 111.9 | S720 L721 M722 M726 Y727 L728 W747 P749 L753 V754 L757 V775 M778 | S720-L724 PolarHBondContact O-N 3.25Å; L721-L724 WeakPolarHBondContact O-CB 3.04Å; L721-L724 PolarHBondContact O-N 3.24Å; M722-L724 VanDerWaalsContact C-N 3.34Å; L724-M726 VanDerWaalsContact C-N 3.34Å; L724-M726 PolarHBondContact O-N 3.03Å; L724-Y727 PolarHBondContact O-N 2.71Å; L724-L728 HydrophobicContact CD1-CD1 4.02Å; L724-L728 HydrophobicContact CD1-CG 4.26Å; L724-L728 HydrophobicContact CG-CD1 4.05Å; L724-L728 VanDerWaalsContact O-CG 3.26Å; L724-L728 WeakPolarHBondContact O-CG 3.16Å; L724-L728 PolarHBondContact O-N 3.1Å; L724-L728 VanDerWaalsContact O-N 3.14Å; L724-W747 HydrophobicContact CB-CH2 4.43Å; L724-W747 HydrophobicContact CB-CZ3 4.36Å; L724-P749 HydrophobicContact CD1-CG 4.37Å; L724-P749 HydrophobicContact CD2-CB 4.31Å; L724-P749 HydrophobicContact CD2-CG 4.39Å; L724-L753 HydrophobicContact CB-CD2 4.11Å; L724-L753 HydrophobicContact CD2-CD2 3.46Å; L724-L753 VanDerWaalsContact CD2-CD2 3.46Å; L724-L753 HydrophobicContact CG-CD2 4.43Å; L724-V754 HydrophobicContact CD2-CG2 4.1Å; L724-L757 HydrophobicContact CB-CD2 4.46Å; L724-L757 HydrophobicContact CD2-CD1 3.98Å; L724-L757 HydrophobicContact CD2-CD2 4.06Å; L724-L757 HydrophobicContact CD2-CG 4.18Å; L724-L757 HydrophobicContact CG-CD1 4.36Å; L724-L757 HydrophobicContact CG-CD2 4.09Å; L724-V775 HydrophobicContact CD1-CB 4.46Å; L724-V775 HydrophobicContact CD1-CG1 4.05Å; L724-V775 HydrophobicContact CD1-CG2 3.73Å; L724-M778 HydrophobicContact CD1-CE 4.2Å; L724-M778 HydrophobicContact CD1-SD 4.31Å |
| 725 | E | 82.6 | Confident | 78.6 | Confident | 37.3333 Ų | 37.3333 | 36.4 Ų | 36.4 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.9 | -175 | -174.4 | 157 | 0 | 0 | 111.8 | L721 M722 A723 L728 K729 L757 P758 L761 | L721-E725 WeakPolarHBondContact O-CB 3.37Å; L721-E725 PolarHBondContact O-N 3.08Å; M722-E725 PolarHBondContact O-N 3.35Å; A723-E725 VanDerWaalsContact C-N 3.33Å; A723-E725 PolarHBondContact O-N 3.06Å; E725-L728 PolarHBondContact O-N 2.87Å; E725-K729 HydrophobicContact CG-CD 4.07Å; E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 VanDerWaalsContact O-CG 3.28Å; E725-K729 WeakPolarHBondContact O-CG 3.41Å; E725-K729 PolarHBondContact O-N 3.25Å; E725-K729 VanDerWaalsContact OE1-CE 3.27Å; E725-K729 WeakPolarHBondContact OE1-CE 3.36Å; E725-K729 IonicContact OE1-NZ 3.37Å; E725-K729 PolarHBondContact OE1-NZ 3.23Å; E725-L757 HydrophobicContact CB-CD2 4.03Å; E725-P758 HydrophobicContact CG-CG 4.39Å; E725-L761 HydrophobicContact CB-CD2 4.39Å; E725-L761 HydrophobicContact CG-CD2 3.93Å |
| 726 | M | 80.8 | Confident | 79.8 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 11% | 0.108 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.3 | -43.5 | -178.9 | -168.5 | 88.7 | 65.1 | 0 | 0 | 112.2 | L709 V713 M722 A723 L724 L728 K729 Q730 F1374 H1377 I1378 | L709-M726 HydrophobicContact CB-CE 4.02Å; L709-M726 HydrophobicContact CD1-CB 4.33Å; L709-M726 HydrophobicContact CD1-CE 3.97Å; L709-M726 HydrophobicContact CD1-CG 3.81Å; L709-M726 HydrophobicContact CD1-SD 4.35Å; L709-M726 HydrophobicContact CD2-CE 3.85Å; L709-M726 HydrophobicContact CD2-CG 4.3Å; L709-M726 HydrophobicContact CD2-SD 3.68Å; L709-M726 HydrophobicContact CG-CE 4.15Å; V713-M726 HydrophobicContact CG2-CE 4.28Å; M722-M726 WeakPolarHBondContact O-CB 3.39Å; M722-M726 PolarHBondContact O-N 2.92Å; M722-M726 VanDerWaalsContact O-N 3.14Å; A723-M726 PolarHBondContact O-N 3.24Å; A723-M726 VanDerWaalsContact O-N 3.11Å; L724-M726 VanDerWaalsContact C-N 3.34Å; L724-M726 PolarHBondContact O-N 3.03Å; M726-L728 VanDerWaalsContact C-N 3.33Å; M726-L728 PolarHBondContact O-N 3.31Å; M726-K729 PolarHBondContact O-N 3Å; M726-Q730 HydrophobicContact CG-CG 4.16Å; M726-Q730 WeakPolarHBondContact O-CB 3.4Å; M726-Q730 VanDerWaalsContact O-CG 3.28Å; M726-Q730 WeakPolarHBondContact O-CG 3.41Å; M726-Q730 PolarHBondContact O-N 3.34Å; M726-Q730 HydrophobicContact SD-CG 3.83Å; M726-Q730 PolarHBondContact SD-NE2 3.02Å; M726-Q730 VanDerWaalsContact SD-NE2 3.41Å; M726-F1374 HydrophobicContact CB-CE2 4.04Å; M726-F1374 HydrophobicContact CG-CD2 4.49Å; M726-F1374 HydrophobicContact CG-CE2 4.37Å; M726-H1377 HydrophobicContact CE-CB 4.19Å; M726-H1377 HydrophobicContact CG-CB 4.33Å; M726-H1377 HydrophobicContact SD-CB 3.87Å; M726-I1378 HydrophobicContact CE-CG1 3.92Å |
| 727 | Y | 86.2 | Confident | 81.2 | Confident | 12.6667 Ų | 12.6667 | 25.1 Ų | 25.1 | 5% | 0.05 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.4 | -50.3 | 176.2 | -64.9 | -36.1 | 0 | 0 | 0 | 111.3 | L709 R710 T718 A723 L724 K729 Q730 A731 V775 E779 | L709-Y727 HydrophobicContact CB-CD1 3.94Å; L709-Y727 HydrophobicContact CB-CE1 3.69Å; L709-Y727 HydrophobicContact CD1-CD1 3.68Å; L709-Y727 HydrophobicContact CD1-CE1 4.23Å; L709-Y727 HydrophobicContact CG-CD1 4.43Å; R710-Y727 HydrophobicContact CG-CE1 3.99Å; T718-Y727 WeakPolarHBondContact CA-OH 3.38Å; T718-Y727 WeakPolarHBondContact CB-OH 3.31Å; T718-Y727 WeakPolarHBondContact O-CE2 3.34Å; T718-Y727 PolarHBondContact O-OH 3.02Å; A723-Y727 VanDerWaalsContact C-CD2 3.45Å; A723-Y727 HydrophobicContact CB-CD2 4.37Å; A723-Y727 HydrophobicContact CB-CE2 3.7Å; A723-Y727 WeakPolarHBondContact O-CB 3.45Å; A723-Y727 WeakPolarHBondContact O-CD2 3.34Å; A723-Y727 PolarHBondContact O-N 2.93Å; L724-Y727 PolarHBondContact O-N 2.71Å; Y727-K729 PolarHBondContact O-N 3.49Å; Y727-Q730 PolarHBondContact O-N 3.06Å; Y727-A731 WeakPolarHBondContact O-CB 3.43Å; Y727-A731 PolarHBondContact O-N 2.94Å; Y727-V775 HydrophobicContact CD2-CG1 3.7Å; Y727-V775 HydrophobicContact CE2-CG1 4.47Å; Y727-V775 HydrophobicContact CG-CG1 4.28Å; Y727-E779 WeakPolarHBondContact CB-OE1 3.14Å |
| 728 | L | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | -178.9 | -62.8 | 172.3 | 0 | 0 | 0 | 112.3 | L724 E725 M726 A732 L757 L761 V765 M778 M782 | L724-L728 HydrophobicContact CD1-CD1 4.02Å; L724-L728 HydrophobicContact CD1-CG 4.26Å; L724-L728 HydrophobicContact CG-CD1 4.05Å; L724-L728 VanDerWaalsContact O-CG 3.26Å; L724-L728 WeakPolarHBondContact O-CG 3.16Å; L724-L728 PolarHBondContact O-N 3.1Å; L724-L728 VanDerWaalsContact O-N 3.14Å; E725-L728 PolarHBondContact O-N 2.87Å; M726-L728 VanDerWaalsContact C-N 3.33Å; M726-L728 PolarHBondContact O-N 3.31Å; L728-A732 WeakPolarHBondContact O-CB 3.36Å; L728-A732 PolarHBondContact O-N 3.28Å; L728-A732 VanDerWaalsContact O-N 3.16Å; L728-L757 HydrophobicContact CD1-CD1 3.86Å; L728-L761 HydrophobicContact CB-CD1 4.27Å; L728-L761 HydrophobicContact CB-CD2 4.21Å; L728-L761 HydrophobicContact CD1-CD2 4.18Å; L728-L761 HydrophobicContact CD1-CG 4.44Å; L728-V765 HydrophobicContact CD1-CG2 3.81Å; L728-M778 HydrophobicContact CD1-CE 4.19Å; L728-M778 HydrophobicContact CD2-CB 3.79Å; L728-M778 HydrophobicContact CD2-CE 4.41Å; L728-M782 HydrophobicContact CB-CE 4.03Å; L728-M782 HydrophobicContact CB-CG 4.21Å; L728-M782 HydrophobicContact CD2-CB 4.31Å; L728-M782 HydrophobicContact CD2-CG 3.9Å; L728-M782 HydrophobicContact CG-CG 4.38Å |
| 729 | K | 82.1 | Confident | 83.5 | Confident | 61.3333 Ų | 61.3333 | 21.7 Ų | 21.7 | 27% | 0.267 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 177.4 | -78.9 | -179.4 | 172.8 | 178.6 | 0 | 112.2 | E725 M726 Y727 A732 A733 L761 | E725-K729 HydrophobicContact CG-CD 4.07Å; E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 VanDerWaalsContact O-CG 3.28Å; E725-K729 WeakPolarHBondContact O-CG 3.41Å; E725-K729 PolarHBondContact O-N 3.25Å; E725-K729 VanDerWaalsContact OE1-CE 3.27Å; E725-K729 WeakPolarHBondContact OE1-CE 3.36Å; E725-K729 IonicContact OE1-NZ 3.37Å; E725-K729 PolarHBondContact OE1-NZ 3.23Å; M726-K729 PolarHBondContact O-N 3Å; Y727-K729 PolarHBondContact O-N 3.49Å; K729-A732 PolarHBondContact O-N 3.04Å; K729-A733 WeakPolarHBondContact O-CB 3.4Å; K729-A733 PolarHBondContact O-N 3.09Å; K729-A733 VanDerWaalsContact O-N 3.15Å; K729-L761 HydrophobicContact CG-CD1 4.2Å; K729-L761 HydrophobicContact CG-CD2 4.4Å |
| 730 | Q | 82.9 | Confident | 84.3 | Confident | 22.6667 Ų | 22.6667 | 19.2 Ų | 19.2 | 11% | 0.106 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.1 | -35.2 | -178.4 | -62.2 | -50.1 | -36.4 | 0 | 0 | 112.2 | R667 Y669 V707 L709 M726 Y727 A732 A733 S734 | R667-Q730 VanDerWaalsContact CZ-OE1 3.22Å; Y669-Q730 HydrophobicContact CD2-CB 4Å; Y669-Q730 HydrophobicContact CE2-CB 3.66Å; Y669-Q730 VanDerWaalsContact CE2-CB 3.45Å; V707-Q730 HydrophobicContact CG1-CB 4.28Å; V707-Q730 HydrophobicContact CG1-CG 4.35Å; L709-Q730 HydrophobicContact CD1-CB 3.92Å; L709-Q730 HydrophobicContact CD1-CG 3.81Å; L709-Q730 HydrophobicContact CD2-CG 4.32Å; L709-Q730 HydrophobicContact CG-CG 4.46Å; M726-Q730 HydrophobicContact CG-CG 4.16Å; M726-Q730 WeakPolarHBondContact O-CB 3.4Å; M726-Q730 VanDerWaalsContact O-CG 3.28Å; M726-Q730 WeakPolarHBondContact O-CG 3.41Å; M726-Q730 PolarHBondContact O-N 3.34Å; M726-Q730 HydrophobicContact SD-CG 3.83Å; M726-Q730 PolarHBondContact SD-NE2 3.02Å; M726-Q730 VanDerWaalsContact SD-NE2 3.41Å; Y727-Q730 PolarHBondContact O-N 3.06Å; Q730-A732 PolarHBondContact O-N 2.93Å; Q730-A733 PolarHBondContact O-N 3.13Å; Q730-S734 PolarHBondContact O-N 3.37Å |
| 731 | A | 85.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y669 Y727 A733 S734 F737 E779 V783 | Y669-A731 HydrophobicContact CD1-CB 4.13Å; Y669-A731 HydrophobicContact CE1-CB 3.91Å; Y669-A731 HydrophobicContact CG-CB 4.5Å; Y727-A731 WeakPolarHBondContact O-CB 3.43Å; Y727-A731 PolarHBondContact O-N 2.94Å; A731-A733 VanDerWaalsContact C-N 3.26Å; A731-A733 PolarHBondContact O-N 3.15Å; A731-S734 WeakPolarHBondContact O-CB 3.39Å; A731-S734 PolarHBondContact O-N 3.38Å; A731-S734 VanDerWaalsContact O-N 3.12Å; A731-S734 PolarHBondContact O-OG 3.17Å; A731-F737 HydrophobicContact CB-CE2 4.38Å; A731-E779 HydrophobicContact CB-CB 4.05Å; A731-E779 HydrophobicContact CB-CG 4.17Å; A731-V783 HydrophobicContact CB-CG2 3.77Å; A731-V783 VanDerWaalsContact O-CG2 3.23Å; A731-V783 WeakPolarHBondContact O-CG2 3.45Å |
| 732 | A | 82.8 | Confident | 85.2 | Confident | 19.3333 Ų | 19.3333 | 15.3 Ų | 15.3 | 16% | 0.16 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -28.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L728 K729 Q730 S734 M782 A786 | L728-A732 WeakPolarHBondContact O-CB 3.36Å; L728-A732 PolarHBondContact O-N 3.28Å; L728-A732 VanDerWaalsContact O-N 3.16Å; K729-A732 PolarHBondContact O-N 3.04Å; Q730-A732 PolarHBondContact O-N 2.93Å; A732-S734 VanDerWaalsContact C-N 3.31Å; A732-M782 HydrophobicContact CB-CB 4.47Å; A732-M782 HydrophobicContact CB-CE 4.01Å; A732-M782 HydrophobicContact CB-CG 3.85Å; A732-A786 HydrophobicContact CB-CB 4.24Å; A732-A786 WeakPolarHBondContact O-CB 3.36Å |
| 733 | A | 77.8 | Confident | 85.7 | Confident | 22.6667 Ų | 22.6667 | 13.7 Ų | 13.7 | 19% | 0.187 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | K729 Q730 A731 | K729-A733 WeakPolarHBondContact O-CB 3.4Å; K729-A733 PolarHBondContact O-N 3.09Å; K729-A733 VanDerWaalsContact O-N 3.15Å; Q730-A733 PolarHBondContact O-N 3.13Å; A731-A733 VanDerWaalsContact C-N 3.26Å; A731-A733 PolarHBondContact O-N 3.15Å |
| 734 | S | 82.2 | Confident | 86.1 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | trans | -70.4 | 151.1 | -178.5 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | Y669 Q730 A731 A732 K790 | Y669-S734 VanDerWaalsContact CB-CB 3.46Å; Q730-S734 PolarHBondContact O-N 3.37Å; A731-S734 WeakPolarHBondContact O-CB 3.39Å; A731-S734 PolarHBondContact O-N 3.38Å; A731-S734 VanDerWaalsContact O-N 3.12Å; A731-S734 PolarHBondContact O-OG 3.17Å; A732-S734 VanDerWaalsContact C-N 3.31Å; S734-K790 PolarHBondContact O-NZ 3.1Å | ||
| 735 | D | 81 | Confident | 86.3 | Confident | 41 Ų | 41 | 16.4 Ų | 16.4 | 22% | 0.219 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -96.2 | -36.6 | 170.4 | -64.3 | -51.2 | 0 | 0 | 0 | 111.5 | R667 K790 R802 | R667-D735 PolarHBondContact N-OD2 3.21Å; R667-D735 VanDerWaalsContact N-OD2 3.15Å; R667-D735 PolarHBondContact O-N 3.08Å; D735-K790 IonicContact OD1-NZ 3.31Å; D735-R802 WeakPolarHBondContact O-CD 3.41Å |
| 736 | I | 87.6 | Confident | 86.5 | Confident | 0.333333 Ų | 0.333333 | 15.3 Ų | 15.3 | 0% | 0.002 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.9 | 171.9 | -60.6 | 177.1 | 0 | 0 | 0 | 107.9 | C666 R667 V668 Y669 V738 R802 F804 L879 T882 L883 L886 | C666-I736 VanDerWaalsContact SG-CD1 3.53Å; R667-I736 PolarHBondContact O-N 3.08Å; V668-I736 CarbonylContact C-O 3.6Å; V668-I736 WeakPolarHBondContact CA-O 3.2Å; V668-I736 HydrophobicContact CG1-CB 4.47Å; V668-I736 HydrophobicContact CG1-CG2 4.35Å; V668-I736 HydrophobicContact CG2-CB 4.21Å; V668-I736 HydrophobicContact CG2-CD1 4.44Å; Y669-I736 PolarHBondContact N-O 3.34Å; I736-V738 HydrophobicContact CG2-CG2 4.28Å; I736-R802 WeakPolarHBondContact CA-O 3.46Å; I736-F804 HydrophobicContact CG2-CD2 3.85Å; I736-F804 HydrophobicContact CG2-CE2 3.87Å; I736-L879 HydrophobicContact CD1-CD2 4.34Å; I736-L879 HydrophobicContact CG2-CD2 3.81Å; I736-T882 HydrophobicContact CD1-CG2 3.91Å; I736-T882 HydrophobicContact CG1-CG2 4.44Å; I736-L883 HydrophobicContact CD1-CD2 4.09Å; I736-L883 HydrophobicContact CD1-CG 4.43Å; I736-L886 HydrophobicContact CD1-CD1 4.33Å; I736-L886 HydrophobicContact CG1-CD1 4.25Å |
| 737 | F | 91.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.8 | 176.6 | -179.6 | -99.2 | 0 | 0 | 0 | 109.8 | Y669 S671 A731 L739 E779 Y780 V783 R802 M803 F804 | Y669-F737 AromaticContact CD1-CD2 3.74Å; Y669-F737 HydrophobicContact CD1-CD2 3.74Å; Y669-F737 AromaticContact CD1-CE2 3.63Å; Y669-F737 HydrophobicContact CD1-CE2 3.63Å; Y669-F737 AromaticContact CE1-CE2 4Å; Y669-F737 HydrophobicContact CE1-CE2 4.07Å; Y669-F737 HydrophobicContact CG-CD2 4.47Å; S671-F737 VanDerWaalsContact CB-CZ 3.49Å; A731-F737 HydrophobicContact CB-CE2 4.38Å; F737-L739 HydrophobicContact CD1-CB 4.44Å; F737-L739 HydrophobicContact CE1-CB 3.78Å; F737-L739 HydrophobicContact CE1-CD1 4.44Å; F737-L739 HydrophobicContact CE1-CG 4.48Å; F737-L739 HydrophobicContact CZ-CB 4.4Å; F737-L739 HydrophobicContact CZ-CD1 4.44Å; F737-E779 HydrophobicContact CE2-CB 4.23Å; F737-E779 HydrophobicContact CZ-CB 4.25Å; F737-Y780 HydrophobicContact CD1-CD2 4.43Å; F737-Y780 AromaticContact CE1-CD2 3.89Å; F737-Y780 HydrophobicContact CE1-CD2 4Å; F737-V783 HydrophobicContact CB-CG1 3.91Å; F737-V783 HydrophobicContact CB-CG2 4.29Å; F737-V783 HydrophobicContact CD2-CB 4.36Å; F737-V783 HydrophobicContact CD2-CG1 4.49Å; F737-V783 HydrophobicContact CD2-CG2 3.38Å; F737-V783 VanDerWaalsContact CD2-CG2 3.41Å; F737-V783 HydrophobicContact CE2-CG2 3.72Å; F737-V783 HydrophobicContact CG-CB 4.38Å; F737-V783 HydrophobicContact CG-CG1 4.27Å; F737-V783 HydrophobicContact CG-CG2 3.85Å; F737-V783 HydrophobicContact CZ-CG2 4.41Å; F737-R802 PolarHBondContact N-O 3.05Å; F737-M803 HydrophobicContact CB-CE 4.39Å; F737-M803 HydrophobicContact CB-CG 4.35Å; F737-M803 HydrophobicContact CD1-CE 4.05Å; F737-M803 HydrophobicContact CE1-CE 4.25Å; F737-M803 HydrophobicContact CG-CE 4.25Å; F737-M803 WeakPolarHBondContact O-CA 3.32Å; F737-F804 PolarHBondContact O-N 3.11Å |
| 738 | V | 92.8 | Very high | 87 | Confident | 0.333333 Ų | 0.333333 | 19.3 Ų | 19.3 | 0% | 0.002 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.9 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | V668 Y669 I670 S671 I736 L740 F804 F806 F875 L879 | V668-V738 HydrophobicContact CG1-CG2 3.99Å; Y669-V738 PolarHBondContact O-N 3.34Å; I670-V738 CarbonylContact C-O 3.5Å; I670-V738 WeakPolarHBondContact CA-O 3.49Å; I670-V738 HydrophobicContact CG1-CB 4.36Å; S671-V738 PolarHBondContact N-O 3.29Å; I736-V738 HydrophobicContact CG2-CG2 4.28Å; V738-L740 HydrophobicContact CG1-CD2 3.99Å; V738-F804 CarbonylContact C-O 3.54Å; V738-F804 WeakPolarHBondContact CA-O 3.37Å; V738-F806 HydrophobicContact CG1-CD2 3.72Å; V738-F806 HydrophobicContact CG1-CE2 3.74Å; V738-F875 HydrophobicContact CG1-CD2 4.46Å; V738-F875 HydrophobicContact CG1-CE2 4.07Å; V738-F875 HydrophobicContact CG2-CE2 4.31Å; V738-L879 HydrophobicContact CG2-CD2 4.31Å |
| 739 | L | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.4 | 178.1 | -178.7 | 64 | 0 | 0 | 0 | 109.7 | S671 F737 L741 F804 V805 F806 F837 L841 | S671-L739 CarbonylContact O-C 3.58Å; S671-L739 WeakPolarHBondContact O-CA 3.43Å; S671-L739 WeakPolarHBondContact OG-CD1 3.38Å; F737-L739 HydrophobicContact CD1-CB 4.44Å; F737-L739 HydrophobicContact CE1-CB 3.78Å; F737-L739 HydrophobicContact CE1-CD1 4.44Å; F737-L739 HydrophobicContact CE1-CG 4.48Å; F737-L739 HydrophobicContact CZ-CB 4.4Å; F737-L739 HydrophobicContact CZ-CD1 4.44Å; L739-L741 HydrophobicContact CD1-CD2 4.16Å; L739-L741 HydrophobicContact CD1-CG 4.43Å; L739-L741 HydrophobicContact CD2-CD1 3.93Å; L739-L741 HydrophobicContact CD2-CD2 4.25Å; L739-L741 HydrophobicContact CD2-CG 4.04Å; L739-L741 HydrophobicContact CG-CD1 4.36Å; L739-L741 HydrophobicContact CG-CD2 4.14Å; L739-L741 HydrophobicContact CG-CG 3.93Å; L739-F804 PolarHBondContact N-O 3.14Å; L739-V805 HydrophobicContact CB-CG1 4.49Å; L739-V805 HydrophobicContact CB-CG2 4.28Å; L739-V805 HydrophobicContact CD2-CG1 4.33Å; L739-V805 HydrophobicContact CD2-CG2 4.23Å; L739-V805 HydrophobicContact CG-CG1 4.49Å; L739-V805 CarbonylContact O-C 3.54Å; L739-V805 WeakPolarHBondContact O-CA 3.41Å; L739-F806 PolarHBondContact O-N 3.17Å; L739-F837 HydrophobicContact CD2-CE1 3.94Å; L739-F837 HydrophobicContact CD2-CZ 3.78Å; L739-L841 HydrophobicContact CD2-CD1 3.92Å; L739-L841 HydrophobicContact CD2-CD2 4.36Å |
| 740 | L | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.7 | 172.5 | -40.3 | 173.5 | 0 | 0 | 0 | 108.9 | I670 S671 S672 M677 E680 R681 I684 V738 F806 F871 | I670-L740 HydrophobicContact CG2-CD1 4.18Å; I670-L740 HydrophobicContact CG2-CG 4.38Å; S671-L740 PolarHBondContact O-N 3.2Å; S672-L740 WeakPolarHBondContact CA-O 3.2Å; S672-L740 VanDerWaalsContact CB-O 3.25Å; S672-L740 WeakPolarHBondContact CB-O 3.33Å; M677-L740 HydrophobicContact CE-CB 3.74Å; M677-L740 HydrophobicContact CG-CB 4.41Å; M677-L740 HydrophobicContact SD-CB 4.43Å; E680-L740 HydrophobicContact CB-CD1 4.21Å; R681-L740 HydrophobicContact CG-CD1 4.35Å; I684-L740 HydrophobicContact CD1-CD1 3.81Å; I684-L740 HydrophobicContact CD1-CD2 4.47Å; V738-L740 HydrophobicContact CG1-CD2 3.99Å; L740-F806 WeakPolarHBondContact CA-O 3.43Å; L740-F806 HydrophobicContact CD2-CB 3.84Å; L740-F806 HydrophobicContact CD2-CD2 3.98Å; L740-F806 HydrophobicContact CD2-CG 4.22Å; L740-F871 HydrophobicContact CD1-CZ 4.44Å; L740-F871 HydrophobicContact CD2-CE2 3.88Å; L740-F871 HydrophobicContact CD2-CZ 3.96Å |
| 741 | L | 91.2 | Very high | 87.6 | Confident | 3.66667 Ų | 3.66667 | 24 Ų | 24 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.4 | -177.7 | -68.9 | 178.6 | 0 | 0 | 0 | 112.6 | M677 L739 V805 F806 I807 R808 L834 F837 K838 L841 | M677-L741 VanDerWaalsContact CE-O 3.26Å; M677-L741 WeakPolarHBondContact CE-O 3.43Å; L739-L741 HydrophobicContact CD1-CD2 4.16Å; L739-L741 HydrophobicContact CD1-CG 4.43Å; L739-L741 HydrophobicContact CD2-CD1 3.93Å; L739-L741 HydrophobicContact CD2-CD2 4.25Å; L739-L741 HydrophobicContact CD2-CG 4.04Å; L739-L741 HydrophobicContact CG-CD1 4.36Å; L739-L741 HydrophobicContact CG-CD2 4.14Å; L739-L741 HydrophobicContact CG-CG 3.93Å; L741-V805 HydrophobicContact CD1-CG1 3.97Å; L741-V805 HydrophobicContact CG-CG1 4.43Å; L741-F806 PolarHBondContact N-O 3.18Å; L741-I807 HydrophobicContact CB-CG1 4.4Å; L741-I807 WeakPolarHBondContact O-CA 3.42Å; L741-R808 PolarHBondContact O-N 3.39Å; L741-L834 HydrophobicContact CD2-CD1 4.43Å; L741-F837 HydrophobicContact CD1-CD1 4.37Å; L741-F837 HydrophobicContact CD1-CE1 4.2Å; L741-F837 HydrophobicContact CD2-CD1 4.44Å; L741-F837 HydrophobicContact CD2-CE1 4.11Å; L741-K838 HydrophobicContact CD1-CG 4.47Å; L741-L841 HydrophobicContact CD1-CD1 3.48Å; L741-L841 VanDerWaalsContact CD1-CD1 3.46Å |
| 742 | G | 87.7 | Confident | 87.7 | Confident | 2.33333 Ų | 2.33333 | 30 Ų | 30 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | trans | -116.4 | -137.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D676 K838 | D676-G742 WeakPolarHBondContact OD2-CA 3.39Å; G742-K838 PolarHBondContact O-NZ 3.19Å; G742-K838 VanDerWaalsContact O-NZ 3.15Å | ||
| 743 | A | 86.3 | Confident | 87.8 | Confident | 33 Ų | 33 | 31.1 Ų | 31.1 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | B | Isolated β-bridge | trans | -104.7 | 10.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D676 F823 R824 D825 | D676-A743 PolarHBondContact OD2-N 3.24Å; A743-F823 CarbonylContact C-O 3.58Å; A743-F823 WeakPolarHBondContact CB-O 3.24Å; A743-R824 HydrophobicContact CB-CB 4.4Å; A743-R824 HydrophobicContact CB-CG 4.3Å; A743-D825 PolarHBondContact O-N 3.15Å; A743-D825 VanDerWaalsContact O-N 3.17Å |
| 744 | K | 87.3 | Confident | 88.3 | Confident | 54.3333 Ų | 54.3333 | 30.1 Ų | 30.1 | 24% | 0.236 | 16% | 0.16 | C | C | . | . | trans | -112.7 | 137.7 | 174.3 | -164.2 | 166.4 | -173.6 | 161.2 | 0 | 110.3 | D676 Q821 I822 | D676-K744 HydrophobicContact CB-CB 4.06Å; D676-K744 HydrophobicContact CB-CD 4.31Å; D676-K744 WeakPolarHBondContact OD2-CB 3.35Å; D676-K744 PolarHBondContact OD2-N 3.37Å; K744-Q821 PolarHBondContact NZ-O 3.12Å; K744-Q821 VanDerWaalsContact NZ-O 3.1Å; K744-I822 WeakPolarHBondContact CD-O 3.38Å; K744-I822 PolarHBondContact NZ-O 2.84Å | ||
| 745 | Y | 88.7 | Confident | 88.4 | Confident | 2.33333 Ų | 2.33333 | 37.1 Ų | 37.1 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | trans | -78 | -30.4 | -177 | -176.1 | -131.7 | 0 | 0 | 0 | 112.8 | V748 G772 M773 S774 T776 E777 D825 N830 H833 L834 F837 | Y745-V748 HydrophobicContact CD1-CG2 3.88Å; Y745-V748 HydrophobicContact CE1-CG2 3.84Å; Y745-G772 WeakPolarHBondContact CE1-O 3.31Å; Y745-M773 WeakPolarHBondContact OH-CA 3.23Å; Y745-S774 WeakPolarHBondContact CE2-OG 3.32Å; Y745-S774 WeakPolarHBondContact O-CB 3.23Å; Y745-S774 PolarHBondContact O-OG 2.96Å; Y745-S774 VanDerWaalsContact O-OG 3.07Å; Y745-S774 PolarHBondContact OH-N 3.15Å; Y745-S774 VanDerWaalsContact OH-N 3.1Å; Y745-T776 PolarHBondContact O-OG1 3.18Å; Y745-E777 WeakPolarHBondContact CE2-OE2 3.37Å; Y745-E777 PolarHBondContact OH-OE2 3.05Å; Y745-D825 PolarHBondContact N-OD2 3.24Å; Y745-D825 VanDerWaalsContact N-OD2 3.12Å; Y745-N830 HydrophobicContact CD1-CB 4.15Å; Y745-N830 HydrophobicContact CG-CB 4.43Å; Y745-H833 HydrophobicContact CD1-CB 4.1Å; Y745-H833 HydrophobicContact CD2-CB 4.31Å; Y745-H833 HydrophobicContact CE1-CB 3.62Å; Y745-H833 AromaticContact CE1-ND1 3.88Å; Y745-H833 HydrophobicContact CE2-CB 3.86Å; Y745-H833 HydrophobicContact CG-CB 4.43Å; Y745-H833 VanDerWaalsContact CZ-CB 3.49Å; Y745-L834 HydrophobicContact CD2-CB 3.83Å; Y745-L834 HydrophobicContact CD2-CD1 4.21Å; Y745-L834 HydrophobicContact CG-CB 4.31Å; Y745-F837 HydrophobicContact CE2-CB 4.4Å | ||
| 746 | G | 86.5 | Confident | 88.5 | Confident | 14.3333 Ų | 14.3333 | 37.8 Ų | 37.8 | 15% | 0.148 | 20% | 0.196 | C | C | . | . | trans | 111.6 | -172.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V748 | G746-V748 PolarHBondContact O-N 2.91Š| ||
| 747 | W | 87.5 | Confident | 88.3 | Confident | 74.6667 Ų | 74.6667 | 37.9 Ų | 37.9 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | trans | -75.5 | 126.4 | 175.8 | 175.2 | 50.7 | 0 | 0 | 0 | 110.2 | C719 L724 P749 L753 S774 V775 | C719-W747 VanDerWaalsContact C-CZ2 3.45Å; C719-W747 VanDerWaalsContact CA-CH2 3.45Å; C719-W747 VanDerWaalsContact CA-CZ2 3.47Å; C719-W747 HydrophobicContact CB-CD2 4.01Å; C719-W747 HydrophobicContact CB-CE3 4.41Å; C719-W747 HydrophobicContact CB-CG 4.47Å; C719-W747 HydrophobicContact CB-CH2 4.24Å; C719-W747 HydrophobicContact CB-CZ2 3.78Å; C719-W747 HydrophobicContact CB-CZ3 4.48Å; C719-W747 WeakPolarHBondContact O-CH2 3.37Å; C719-W747 VanDerWaalsContact O-CZ2 3.26Å; C719-W747 WeakPolarHBondContact O-CZ2 3.41Å; L724-W747 HydrophobicContact CB-CH2 4.43Å; L724-W747 HydrophobicContact CB-CZ3 4.36Å; W747-P749 HydrophobicContact CH2-CB 3.87Å; W747-P749 HydrophobicContact CZ2-CB 3.81Å; W747-P749 HydrophobicContact CZ3-CB 4.33Å; W747-L753 HydrophobicContact CH2-CD1 4.17Å; W747-L753 HydrophobicContact CH2-CD2 4.1Å; W747-L753 HydrophobicContact CZ2-CD1 4.05Å; W747-L753 HydrophobicContact CZ2-CD2 4.46Å; W747-S774 CarbonylContact O-C 3.57Å; W747-S774 VanDerWaalsContact O-CA 3.3Å; W747-S774 WeakPolarHBondContact O-CA 3.39Å; W747-V775 HydrophobicContact CD2-CG2 4.15Å; W747-V775 HydrophobicContact CE3-CB 4.42Å; W747-V775 HydrophobicContact CE3-CG2 3.34Å; W747-V775 HydrophobicContact CZ3-CG2 3.7Å; W747-V775 PolarHBondContact O-N 3.22Å | ||
| 748 | V | 90.2 | Very high | 87.6 | Confident | 43.6667 Ų | 43.6667 | 39.2 Ų | 39.2 | 27% | 0.265 | 21% | 0.206 | S | C | . | . | trans | -98.8 | 110.8 | 171.4 | 179 | 0 | 0 | 0 | 0 | 107.5 | Y745 G746 | Y745-V748 HydrophobicContact CD1-CG2 3.88Å; Y745-V748 HydrophobicContact CE1-CG2 3.84Å; G746-V748 PolarHBondContact O-N 2.91Å | ||
| 749 | P | 89.2 | Confident | 86.8 | Confident | 3.33333 Ų | 3.33333 | 43.9 Ų | 43.9 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | trans | -71.4 | 143.6 | 178.7 | 29.6 | -32.6 | 0 | 0 | 0 | 110.6 | L724 W747 L753 V754 M773 V775 M778 | L724-P749 HydrophobicContact CD1-CG 4.37Å; L724-P749 HydrophobicContact CD2-CB 4.31Å; L724-P749 HydrophobicContact CD2-CG 4.39Å; W747-P749 HydrophobicContact CH2-CB 3.87Å; W747-P749 HydrophobicContact CZ2-CB 3.81Å; W747-P749 HydrophobicContact CZ3-CB 4.33Å; P749-L753 HydrophobicContact CB-CD2 4.2Å; P749-V754 HydrophobicContact CB-CG2 4.04Å; P749-V754 HydrophobicContact CG-CG2 3.69Å; P749-M773 WeakPolarHBondContact CD-O 3.19Å; P749-V775 HydrophobicContact CG-CG2 4.05Å; P749-M778 HydrophobicContact CG-SD 3.96Å | ||
| 750 | D | 88.4 | Confident | 85.8 | Confident | 107 Ų | 107 | 46.4 Ų | 46.4 | 57% | 0.572 | 25% | 0.248 | S | C | * | . | trans | -57.7 | 142.9 | 171.1 | -143.3 | -10.2 | 0 | 0 | 0 | 110.2 | L752 L753 V754 | D750-L752 PolarHBondContact O-N 3.2Å; D750-L752 VanDerWaalsContact O-N 3.16Å; D750-L752 PolarHBondContact OD1-N 3.4Å; D750-L753 HydrophobicContact CB-CB 4.49Å; D750-L753 HydrophobicContact CB-CD1 4.41Å; D750-L753 WeakPolarHBondContact O-CA 3.42Å; D750-L753 WeakPolarHBondContact O-CB 3.39Å; D750-L753 PolarHBondContact O-N 3.2Å; D750-V754 PolarHBondContact O-N 3.03Å; D750-V754 VanDerWaalsContact O-N 3.15Å | ||
| 751 | E | 88.7 | Confident | 85.1 | Confident | 72.3333 Ų | 72.3333 | 46.8 Ų | 46.8 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -32.4 | -178.8 | -167.2 | -177.6 | -178.3 | 0 | 0 | 111.5 | L753 V754 R755 Y769 | E751-L753 VanDerWaalsContact C-N 3.3Å; E751-L753 PolarHBondContact O-N 2.98Å; E751-V754 PolarHBondContact O-N 3Å; E751-R755 VanDerWaalsContact CD-CZ 3.48Å; E751-R755 HydrophobicContact CG-CG 4.44Å; E751-R755 WeakPolarHBondContact O-CB 3.25Å; E751-R755 VanDerWaalsContact O-CG 3.29Å; E751-R755 WeakPolarHBondContact O-CG 3.18Å; E751-R755 PolarHBondContact O-N 3.19Å; E751-R755 IonicContact OE1-CZ 3.04Å; E751-R755 VanDerWaalsContact OE1-CZ 3.28Å; E751-R755 IonicContact OE1-NE 2.99Å; E751-R755 PolarHBondContact OE1-NE 3.06Å; E751-R755 IonicContact OE1-NH2 3.18Å; E751-R755 PolarHBondContact OE1-NH2 3.16Å; E751-R755 IonicContact OE2-CZ 2.95Å; E751-R755 IonicContact OE2-NH2 3.3Å; E751-R755 PolarHBondContact OE2-NH2 3.49Å; E751-Y769 HydrophobicContact CG-CE1 4.46Å |
| 752 | L | 86.8 | Confident | 84.8 | Confident | 127.333 Ų | 127.333 | 47.8 Ų | 47.8 | 67% | 0.667 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 173.3 | -66.9 | 176.7 | 0 | 0 | 0 | 112.6 | D750 A756 | D750-L752 PolarHBondContact O-N 3.2Å; D750-L752 VanDerWaalsContact O-N 3.16Å; D750-L752 PolarHBondContact OD1-N 3.4Å; L752-A756 WeakPolarHBondContact O-CB 3.3Å; L752-A756 PolarHBondContact O-N 3.11Å; L752-A756 VanDerWaalsContact O-N 3.15Å |
| 753 | L | 86 | Confident | 84.6 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.7 | -41 | 177.8 | -142.4 | 159.3 | 0 | 0 | 0 | 110.5 | L721 L724 W747 P749 D750 E751 R755 A756 | L721-L753 HydrophobicContact CB-CD2 4.21Å; L721-L753 HydrophobicContact CB-CG 4.34Å; L721-L753 HydrophobicContact CD1-CD2 4.15Å; L721-L753 HydrophobicContact CD1-CG 4.44Å; L721-L753 VanDerWaalsContact CD1-O 3.3Å; L721-L753 WeakPolarHBondContact CD1-O 3.29Å; L724-L753 HydrophobicContact CB-CD2 4.11Å; L724-L753 HydrophobicContact CD2-CD2 3.46Å; L724-L753 VanDerWaalsContact CD2-CD2 3.46Å; L724-L753 HydrophobicContact CG-CD2 4.43Å; W747-L753 HydrophobicContact CH2-CD1 4.17Å; W747-L753 HydrophobicContact CH2-CD2 4.1Å; W747-L753 HydrophobicContact CZ2-CD1 4.05Å; W747-L753 HydrophobicContact CZ2-CD2 4.46Å; P749-L753 HydrophobicContact CB-CD2 4.2Å; D750-L753 HydrophobicContact CB-CB 4.49Å; D750-L753 HydrophobicContact CB-CD1 4.41Å; D750-L753 WeakPolarHBondContact O-CA 3.42Å; D750-L753 WeakPolarHBondContact O-CB 3.39Å; D750-L753 PolarHBondContact O-N 3.2Å; E751-L753 VanDerWaalsContact C-N 3.3Å; E751-L753 PolarHBondContact O-N 2.98Å; L753-R755 VanDerWaalsContact C-N 3.32Å; L753-R755 PolarHBondContact O-N 3.45Å; L753-A756 WeakPolarHBondContact O-CB 3.42Å; L753-A756 PolarHBondContact O-N 3.19Å; L753-A756 VanDerWaalsContact O-N 3.09Å |
| 754 | V | 87.6 | Confident | 84.5 | Confident | 1.66667 Ų | 1.66667 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | L724 P749 D750 E751 A756 L757 L762 V765 Y769 M778 | L724-V754 HydrophobicContact CD2-CG2 4.1Å; P749-V754 HydrophobicContact CB-CG2 4.04Å; P749-V754 HydrophobicContact CG-CG2 3.69Å; D750-V754 PolarHBondContact O-N 3.03Å; D750-V754 VanDerWaalsContact O-N 3.15Å; E751-V754 PolarHBondContact O-N 3Å; V754-A756 PolarHBondContact O-N 2.97Å; V754-L757 HydrophobicContact CG1-CD1 4.22Å; V754-L757 VanDerWaalsContact O-CB 3.29Å; V754-L757 WeakPolarHBondContact O-CB 3.22Å; V754-L757 VanDerWaalsContact O-CG 3.28Å; V754-L757 WeakPolarHBondContact O-CG 3.38Å; V754-L757 PolarHBondContact O-N 3.03Å; V754-L757 VanDerWaalsContact O-N 3.11Å; V754-L762 WeakPolarHBondContact O-CD1 3.42Å; V754-V765 HydrophobicContact CG1-CG1 3.98Å; V754-Y769 HydrophobicContact CB-CE1 4.19Å; V754-Y769 HydrophobicContact CB-CE2 4.38Å; V754-Y769 HydrophobicContact CG1-CD1 3.99Å; V754-Y769 HydrophobicContact CG1-CD2 4.17Å; V754-Y769 HydrophobicContact CG1-CE1 3.87Å; V754-Y769 HydrophobicContact CG1-CE2 4.06Å; V754-Y769 HydrophobicContact CG1-CG 4.14Å; V754-Y769 HydrophobicContact CG2-CE1 4.39Å; V754-Y769 HydrophobicContact CG2-CE2 3.81Å; V754-Y769 WeakPolarHBondContact CG2-OH 3.2Å; V754-M778 HydrophobicContact CG1-CE 4.13Å; V754-M778 HydrophobicContact CG2-CE 4.26Å |
| 755 | R | 85.5 | Confident | 84.6 | Confident | 154.333 Ų | 154.333 | 48 Ų | 48 | 58% | 0.582 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.4 | -16.4 | 176.1 | -70.2 | 176.4 | -176.5 | -173.3 | 3 | 113.9 | E751 L753 L757 | E751-R755 VanDerWaalsContact CD-CZ 3.48Å; E751-R755 HydrophobicContact CG-CG 4.44Å; E751-R755 WeakPolarHBondContact O-CB 3.25Å; E751-R755 VanDerWaalsContact O-CG 3.29Å; E751-R755 WeakPolarHBondContact O-CG 3.18Å; E751-R755 PolarHBondContact O-N 3.19Å; E751-R755 IonicContact OE1-CZ 3.04Å; E751-R755 VanDerWaalsContact OE1-CZ 3.28Å; E751-R755 IonicContact OE1-NE 2.99Å; E751-R755 PolarHBondContact OE1-NE 3.06Å; E751-R755 IonicContact OE1-NH2 3.18Å; E751-R755 PolarHBondContact OE1-NH2 3.16Å; E751-R755 IonicContact OE2-CZ 2.95Å; E751-R755 IonicContact OE2-NH2 3.3Å; E751-R755 PolarHBondContact OE2-NH2 3.49Å; L753-R755 VanDerWaalsContact C-N 3.32Å; L753-R755 PolarHBondContact O-N 3.45Å; R755-L757 VanDerWaalsContact C-N 3.31Å |
| 756 | A | 83.3 | Confident | 84.6 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 45% | 0.446 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L721 L752 L753 V754 | L721-A756 HydrophobicContact CD1-CB 4.01Å; L721-A756 HydrophobicContact CD2-CB 3.85Å; L721-A756 WeakPolarHBondContact CD2-O 3.22Å; L721-A756 HydrophobicContact CG-CB 4.46Å; L752-A756 WeakPolarHBondContact O-CB 3.3Å; L752-A756 PolarHBondContact O-N 3.11Å; L752-A756 VanDerWaalsContact O-N 3.15Å; L753-A756 WeakPolarHBondContact O-CB 3.42Å; L753-A756 PolarHBondContact O-N 3.19Å; L753-A756 VanDerWaalsContact O-N 3.09Å; V754-A756 PolarHBondContact O-N 2.97Å |
| 757 | L | 83.4 | Confident | 84.7 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -62.9 | 149.3 | 174.3 | -71.4 | 172.1 | 0 | 0 | 0 | 111.2 | L721 L724 E725 L728 V754 R755 D759 L761 L762 V765 | L721-L757 HydrophobicContact CD1-CD2 3.77Å; L721-L757 HydrophobicContact CD1-CG 4.16Å; L724-L757 HydrophobicContact CB-CD2 4.46Å; L724-L757 HydrophobicContact CD2-CD1 3.98Å; L724-L757 HydrophobicContact CD2-CD2 4.06Å; L724-L757 HydrophobicContact CD2-CG 4.18Å; L724-L757 HydrophobicContact CG-CD1 4.36Å; L724-L757 HydrophobicContact CG-CD2 4.09Å; E725-L757 HydrophobicContact CB-CD2 4.03Å; L728-L757 HydrophobicContact CD1-CD1 3.86Å; V754-L757 HydrophobicContact CG1-CD1 4.22Å; V754-L757 VanDerWaalsContact O-CB 3.29Å; V754-L757 WeakPolarHBondContact O-CB 3.22Å; V754-L757 VanDerWaalsContact O-CG 3.28Å; V754-L757 WeakPolarHBondContact O-CG 3.38Å; V754-L757 PolarHBondContact O-N 3.03Å; V754-L757 VanDerWaalsContact O-N 3.11Å; R755-L757 VanDerWaalsContact C-N 3.31Å; L757-D759 PolarHBondContact O-N 3.13Å; L757-L761 HydrophobicContact CD1-CD2 4.36Å; L757-L761 HydrophobicContact CD2-CD2 4.12Å; L757-L762 HydrophobicContact CB-CB 4.3Å; L757-V765 HydrophobicContact CD1-CG2 4.19Å |
| 758 | P | 76.5 | Confident | 84.9 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -55.3 | 138.5 | 177 | -24.8 | 33.3 | 0 | 0 | 0 | 112.1 | E725 S760 L761 L762 | E725-P758 HydrophobicContact CG-CG 4.39Å; P758-S760 VanDerWaalsContact C-N 3.26Å; P758-S760 PolarHBondContact O-N 3.24Å; P758-L761 WeakPolarHBondContact O-CA 3.27Å; P758-L761 PolarHBondContact O-N 3.07Å; P758-L762 WeakPolarHBondContact O-CB 3.17Å; P758-L762 PolarHBondContact O-N 2.98Å | ||
| 759 | D | 75.4 | Confident | 85 | Confident | 100 Ų | 100 | 54.9 Ų | 54.9 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -48.5 | -39.6 | -173 | -68.8 | -32.8 | 0 | 0 | 0 | 114 | L757 L761 L762 A763 | L757-D759 PolarHBondContact O-N 3.13Å; D759-L761 VanDerWaalsContact C-N 3.3Å; D759-L761 PolarHBondContact O-N 2.95Å; D759-L762 PolarHBondContact O-N 3.26Å; D759-A763 VanDerWaalsContact O-CB 3.24Å; D759-A763 WeakPolarHBondContact O-CB 3.4Å; D759-A763 PolarHBondContact O-N 3.08Å |
| 760 | S | 72.8 | Confident | 85 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 178.4 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | P758 E764 N1209 | P758-S760 VanDerWaalsContact C-N 3.26Å; P758-S760 PolarHBondContact O-N 3.24Å; S760-E764 PolarHBondContact O-N 3.41Å; S760-N1209 VanDerWaalsContact CB-O 3.31Å; S760-N1209 WeakPolarHBondContact CB-O 3.34Å |
| 761 | L | 78.8 | Confident | 85 | Confident | 9.33333 Ų | 9.33333 | 60.5 Ų | 60.5 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.2 | -41.6 | 177.7 | -173.9 | 66.6 | 0 | 0 | 0 | 110.2 | E725 L728 K729 L757 P758 D759 A763 E764 V765 M782 | E725-L761 HydrophobicContact CB-CD2 4.39Å; E725-L761 HydrophobicContact CG-CD2 3.93Å; L728-L761 HydrophobicContact CB-CD1 4.27Å; L728-L761 HydrophobicContact CB-CD2 4.21Å; L728-L761 HydrophobicContact CD1-CD2 4.18Å; L728-L761 HydrophobicContact CD1-CG 4.44Å; K729-L761 HydrophobicContact CG-CD1 4.2Å; K729-L761 HydrophobicContact CG-CD2 4.4Å; L757-L761 HydrophobicContact CD1-CD2 4.36Å; L757-L761 HydrophobicContact CD2-CD2 4.12Å; P758-L761 WeakPolarHBondContact O-CA 3.27Å; P758-L761 PolarHBondContact O-N 3.07Å; D759-L761 VanDerWaalsContact C-N 3.3Å; D759-L761 PolarHBondContact O-N 2.95Å; L761-A763 VanDerWaalsContact C-N 3.28Å; L761-A763 PolarHBondContact O-N 3.19Å; L761-E764 WeakPolarHBondContact O-CA 3.5Å; L761-E764 WeakPolarHBondContact O-CB 3.34Å; L761-E764 PolarHBondContact O-N 2.96Å; L761-E764 VanDerWaalsContact O-N 3.16Å; L761-V765 HydrophobicContact CD1-CG2 4.23Å; L761-V765 HydrophobicContact CG-CG2 4.31Å; L761-V765 WeakPolarHBondContact O-CB 3.14Å; L761-V765 VanDerWaalsContact O-CG2 3.25Å; L761-V765 WeakPolarHBondContact O-CG2 3.28Å; L761-V765 PolarHBondContact O-N 3Å; L761-M782 HydrophobicContact CD1-CE 3.55Å; L761-M782 VanDerWaalsContact CD1-CE 3.41Å; L761-M782 HydrophobicContact CD1-SD 4.42Å; L761-M782 HydrophobicContact CG-CE 3.85Å |
| 762 | L | 84.1 | Confident | 85 | Confident | 23.3333 Ų | 23.3333 | 58.2 Ų | 58.2 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 176.7 | -177 | 59.1 | 0 | 0 | 0 | 111.9 | V754 L757 P758 D759 E764 V765 N766 | V754-L762 WeakPolarHBondContact O-CD1 3.42Å; L757-L762 HydrophobicContact CB-CB 4.3Å; P758-L762 WeakPolarHBondContact O-CB 3.17Å; P758-L762 PolarHBondContact O-N 2.98Å; D759-L762 PolarHBondContact O-N 3.26Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-E764 PolarHBondContact O-N 2.98Å; L762-V765 PolarHBondContact O-N 3.06Å; L762-N766 VanDerWaalsContact O-CB 3.28Å; L762-N766 WeakPolarHBondContact O-CB 3.42Å; L762-N766 PolarHBondContact O-N 3.02Å; L762-N766 PolarHBondContact O-ND2 2.93Å |
| 763 | A | 83 | Confident | 85.3 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -30.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D759 L761 K767 | D759-A763 VanDerWaalsContact O-CB 3.24Å; D759-A763 WeakPolarHBondContact O-CB 3.4Å; D759-A763 PolarHBondContact O-N 3.08Å; L761-A763 VanDerWaalsContact C-N 3.28Å; L761-A763 PolarHBondContact O-N 3.19Å; A763-K767 WeakPolarHBondContact O-CE 3.42Å |
| 764 | E | 85.2 | Confident | 85.6 | Confident | 40.3333 Ų | 40.3333 | 50.7 Ų | 50.7 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -79.7 | -43.5 | 173.2 | -64 | -61 | 143.7 | 0 | 0 | 111.1 | S760 L761 L762 N766 K767 F768 M782 L785 | S760-E764 PolarHBondContact O-N 3.41Å; L761-E764 WeakPolarHBondContact O-CA 3.5Å; L761-E764 WeakPolarHBondContact O-CB 3.34Å; L761-E764 PolarHBondContact O-N 2.96Å; L761-E764 VanDerWaalsContact O-N 3.16Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-E764 PolarHBondContact O-N 2.98Å; E764-N766 VanDerWaalsContact C-N 3.34Å; E764-N766 PolarHBondContact O-N 2.99Å; E764-K767 VanDerWaalsContact CD-NZ 3.33Å; E764-K767 VanDerWaalsContact O-CB 3.3Å; E764-K767 WeakPolarHBondContact O-CB 3.34Å; E764-K767 WeakPolarHBondContact O-CG 3.24Å; E764-K767 PolarHBondContact O-N 3.4Å; E764-K767 VanDerWaalsContact O-N 3.15Å; E764-K767 IonicContact OE1-NZ 3.82Å; E764-K767 PolarHBondContact OE1-NZ 3.1Å; E764-K767 WeakPolarHBondContact OE2-CE 3.46Å; E764-K767 IonicContact OE2-NZ 3.6Å; E764-K767 PolarHBondContact OE2-NZ 3.07Å; E764-F768 WeakPolarHBondContact O-CE1 3.35Å; E764-M782 HydrophobicContact CB-CE 4.13Å; E764-M782 HydrophobicContact CB-SD 4.28Å; E764-M782 HydrophobicContact CG-CE 4.38Å; E764-L785 WeakPolarHBondContact O-CD1 3.23Å |
| 765 | V | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L728 V754 L757 L761 L762 K767 F768 Y769 M778 M782 | L728-V765 HydrophobicContact CD1-CG2 3.81Å; V754-V765 HydrophobicContact CG1-CG1 3.98Å; L757-V765 HydrophobicContact CD1-CG2 4.19Å; L761-V765 HydrophobicContact CD1-CG2 4.23Å; L761-V765 HydrophobicContact CG-CG2 4.31Å; L761-V765 WeakPolarHBondContact O-CB 3.14Å; L761-V765 VanDerWaalsContact O-CG2 3.25Å; L761-V765 WeakPolarHBondContact O-CG2 3.28Å; L761-V765 PolarHBondContact O-N 3Å; L762-V765 PolarHBondContact O-N 3.06Å; V765-K767 PolarHBondContact O-N 3.25Å; V765-F768 HydrophobicContact CB-CZ 4.34Å; V765-F768 HydrophobicContact CG1-CZ 4.31Å; V765-F768 HydrophobicContact CG2-CZ 4.25Å; V765-F768 WeakPolarHBondContact O-CD1 3.38Å; V765-F768 PolarHBondContact O-N 3.11Å; V765-F768 VanDerWaalsContact O-N 3.08Å; V765-Y769 HydrophobicContact CG1-CD2 4.44Å; V765-Y769 HydrophobicContact CG1-CG 4.1Å; V765-Y769 VanDerWaalsContact O-CB 3.25Å; V765-Y769 WeakPolarHBondContact O-CB 3.29Å; V765-Y769 PolarHBondContact O-N 2.96Å; V765-M778 HydrophobicContact CG1-CE 3.81Å; V765-M782 HydrophobicContact CG2-CE 3.52Å; V765-M782 HydrophobicContact CG2-SD 4.22Å |
| 766 | N | 89.5 | Confident | 86 | Confident | 102.667 Ų | 102.667 | 43.9 Ų | 43.9 | 55% | 0.549 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.2 | 178.2 | -75.8 | -18.1 | 0 | 0 | 0 | 114.1 | L762 E764 F768 | L762-N766 VanDerWaalsContact O-CB 3.28Å; L762-N766 WeakPolarHBondContact O-CB 3.42Å; L762-N766 PolarHBondContact O-N 3.02Å; L762-N766 PolarHBondContact O-ND2 2.93Å; E764-N766 VanDerWaalsContact C-N 3.34Å; E764-N766 PolarHBondContact O-N 2.99Å; N766-F768 VanDerWaalsContact C-N 3.3Å; N766-F768 PolarHBondContact O-N 2.83Å |
| 767 | K | 88.9 | Confident | 86.5 | Confident | 121.333 Ų | 121.333 | 42 Ų | 42 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -20.1 | 175.8 | -61.8 | 175.8 | -175.3 | 171.4 | 0 | 112.9 | A763 E764 V765 L785 | A763-K767 WeakPolarHBondContact O-CE 3.42Å; E764-K767 VanDerWaalsContact CD-NZ 3.33Å; E764-K767 VanDerWaalsContact O-CB 3.3Å; E764-K767 WeakPolarHBondContact O-CB 3.34Å; E764-K767 WeakPolarHBondContact O-CG 3.24Å; E764-K767 PolarHBondContact O-N 3.4Å; E764-K767 VanDerWaalsContact O-N 3.15Å; E764-K767 IonicContact OE1-NZ 3.82Å; E764-K767 PolarHBondContact OE1-NZ 3.1Å; E764-K767 WeakPolarHBondContact OE2-CE 3.46Å; E764-K767 IonicContact OE2-NZ 3.6Å; E764-K767 PolarHBondContact OE2-NZ 3.07Å; V765-K767 PolarHBondContact O-N 3.25Å; K767-L785 HydrophobicContact CB-CD1 4.13Å; K767-L785 HydrophobicContact CD-CD1 4.17Å; K767-L785 HydrophobicContact CD-CD2 4.23Å |
| 768 | F | 90.7 | Very high | 87 | Confident | 25.6667 Ų | 25.6667 | 41.8 Ų | 41.8 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -26.6 | -177.9 | 63.3 | -94.7 | 0 | 0 | 0 | 114.4 | E764 V765 N766 K770 M773 M778 H781 M782 L785 | E764-F768 WeakPolarHBondContact O-CE1 3.35Å; V765-F768 HydrophobicContact CB-CZ 4.34Å; V765-F768 HydrophobicContact CG1-CZ 4.31Å; V765-F768 HydrophobicContact CG2-CZ 4.25Å; V765-F768 WeakPolarHBondContact O-CD1 3.38Å; V765-F768 PolarHBondContact O-N 3.11Å; V765-F768 VanDerWaalsContact O-N 3.08Å; N766-F768 VanDerWaalsContact C-N 3.3Å; N766-F768 PolarHBondContact O-N 2.83Å; F768-K770 PolarHBondContact O-N 3.07Å; F768-M773 HydrophobicContact CD2-SD 4.39Å; F768-M773 VanDerWaalsContact O-CE 3.31Å; F768-M773 WeakPolarHBondContact O-CE 3.25Å; F768-M778 HydrophobicContact CE2-CB 4.13Å; F768-M778 HydrophobicContact CE2-CG 4.3Å; F768-H781 HydrophobicContact CB-CB 4.16Å; F768-H781 HydrophobicContact CD1-CB 3.96Å; F768-H781 HydrophobicContact CD2-CB 3.26Å; F768-H781 AromaticContact CD2-CD2 3.98Å; F768-H781 AromaticContact CD2-CG 3.68Å; F768-H781 HydrophobicContact CE1-CB 4.12Å; F768-H781 HydrophobicContact CE2-CB 3.49Å; F768-H781 VanDerWaalsContact CE2-CB 3.46Å; F768-H781 HydrophobicContact CG-CB 3.52Å; F768-H781 VanDerWaalsContact CG-CB 3.49Å; F768-H781 AromaticContact CG-CG 3.92Å; F768-H781 HydrophobicContact CZ-CB 3.91Å; F768-M782 HydrophobicContact CE1-CG 4.08Å; F768-M782 HydrophobicContact CE1-SD 3.83Å; F768-M782 VanDerWaalsContact CE1-SD 3.54Å; F768-M782 HydrophobicContact CZ-CB 4.4Å; F768-M782 HydrophobicContact CZ-CG 3.75Å; F768-M782 HydrophobicContact CZ-SD 3.8Å; F768-L785 HydrophobicContact CD1-CD1 3.49Å; F768-L785 VanDerWaalsContact CD1-CD1 3.44Å; F768-L785 HydrophobicContact CD1-CG 4.35Å; F768-L785 HydrophobicContact CE1-CD1 3.74Å |
| 769 | Y | 92.5 | Very high | 87.7 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | trans | -60.5 | 135.5 | -171.4 | 177.3 | -103.3 | 0 | 0 | 0 | 112.6 | E751 V754 V765 M773 M778 | E751-Y769 HydrophobicContact CG-CE1 4.46Å; V754-Y769 HydrophobicContact CB-CE1 4.19Å; V754-Y769 HydrophobicContact CB-CE2 4.38Å; V754-Y769 HydrophobicContact CG1-CD1 3.99Å; V754-Y769 HydrophobicContact CG1-CD2 4.17Å; V754-Y769 HydrophobicContact CG1-CE1 3.87Å; V754-Y769 HydrophobicContact CG1-CE2 4.06Å; V754-Y769 HydrophobicContact CG1-CG 4.14Å; V754-Y769 HydrophobicContact CG2-CE1 4.39Å; V754-Y769 HydrophobicContact CG2-CE2 3.81Å; V754-Y769 WeakPolarHBondContact CG2-OH 3.2Å; V765-Y769 HydrophobicContact CG1-CD2 4.44Å; V765-Y769 HydrophobicContact CG1-CG 4.1Å; V765-Y769 VanDerWaalsContact O-CB 3.25Å; V765-Y769 WeakPolarHBondContact O-CB 3.29Å; V765-Y769 PolarHBondContact O-N 2.96Å; Y769-M773 HydrophobicContact CD2-CB 4.3Å; Y769-M773 HydrophobicContact CD2-SD 4.32Å; Y769-M773 HydrophobicContact CE2-CB 4.26Å; Y769-M778 HydrophobicContact CD2-CE 3.77Å; Y769-M778 HydrophobicContact CD2-CG 4.22Å; Y769-M778 HydrophobicContact CD2-SD 3.91Å; Y769-M778 HydrophobicContact CE2-CE 4.1Å; Y769-M778 HydrophobicContact CE2-SD 3.9Å | ||
| 770 | K | 89.9 | Confident | 88.6 | Confident | 142.333 Ų | 142.333 | 35.9 Ų | 35.9 | 62% | 0.619 | 20% | 0.196 | S | C | * | . | trans | -128.6 | 141.8 | 169.9 | -62 | 176.8 | -175.3 | 170.9 | 0 | 108.3 | F768 G772 M773 | F768-K770 PolarHBondContact O-N 3.07Å; K770-G772 PolarHBondContact O-N 3.26Å; K770-M773 HydrophobicContact CB-CE 4.02Å; K770-M773 HydrophobicContact CB-CG 4.4Å; K770-M773 HydrophobicContact CB-SD 4.29Å; K770-M773 HydrophobicContact CD-CE 4.17Å; K770-M773 HydrophobicContact CG-CE 4.02Å; K770-M773 PolarHBondContact N-SD 3.06Å; K770-M773 WeakPolarHBondContact O-CB 3.29Å; K770-M773 VanDerWaalsContact O-CG 3.3Å; K770-M773 WeakPolarHBondContact O-CG 3.16Å; K770-M773 PolarHBondContact O-N 2.99Å; K770-M773 VanDerWaalsContact O-N 3.14Å | ||
| 771 | P | 88.1 | Confident | 89.5 | Confident | 84.6667 Ų | 84.6667 | 34.5 Ų | 34.5 | 55% | 0.55 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.7 | 174.3 | -25.9 | 34.7 | 0 | 0 | 0 | 111.1 | ||
| 772 | G | 87.5 | Confident | 90 | Very high | 24.3333 Ų | 24.3333 | 34.5 Ų | 34.5 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | -5.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y745 K770 S774 H833 | Y745-G772 WeakPolarHBondContact CE1-O 3.31Å; K770-G772 PolarHBondContact O-N 3.26Å; G772-S774 PolarHBondContact O-N 3.24Å; G772-H833 PolarHBondContact O-CE1 3.38Å; G772-H833 PolarHBondContact O-ND1 3.48Å |
| 773 | M | 93.4 | Very high | 90.3 | Very high | 11.6667 Ų | 11.6667 | 33.9 Ų | 33.9 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | trans | -67.1 | 135.3 | 174.3 | -78.3 | 179 | 168.6 | 0 | 0 | 112.4 | Y745 P749 F768 Y769 K770 E777 M778 | Y745-M773 WeakPolarHBondContact OH-CA 3.23Å; P749-M773 WeakPolarHBondContact CD-O 3.19Å; F768-M773 HydrophobicContact CD2-SD 4.39Å; F768-M773 VanDerWaalsContact O-CE 3.31Å; F768-M773 WeakPolarHBondContact O-CE 3.25Å; Y769-M773 HydrophobicContact CD2-CB 4.3Å; Y769-M773 HydrophobicContact CD2-SD 4.32Å; Y769-M773 HydrophobicContact CE2-CB 4.26Å; K770-M773 HydrophobicContact CB-CE 4.02Å; K770-M773 HydrophobicContact CB-CG 4.4Å; K770-M773 HydrophobicContact CB-SD 4.29Å; K770-M773 HydrophobicContact CD-CE 4.17Å; K770-M773 HydrophobicContact CG-CE 4.02Å; K770-M773 PolarHBondContact N-SD 3.06Å; K770-M773 WeakPolarHBondContact O-CB 3.29Å; K770-M773 VanDerWaalsContact O-CG 3.3Å; K770-M773 WeakPolarHBondContact O-CG 3.16Å; K770-M773 PolarHBondContact O-N 2.99Å; K770-M773 VanDerWaalsContact O-N 3.14Å; M773-E777 WeakPolarHBondContact CE-OE1 3.38Å; M773-E777 HydrophobicContact CG-CG 4.44Å; M773-M778 HydrophobicContact CB-CG 4.13Å | ||
| 774 | S | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -75.3 | 156.4 | 170.6 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | Y745 W747 G772 T776 E777 M778 | Y745-S774 WeakPolarHBondContact CE2-OG 3.32Å; Y745-S774 WeakPolarHBondContact O-CB 3.23Å; Y745-S774 PolarHBondContact O-OG 2.96Å; Y745-S774 VanDerWaalsContact O-OG 3.07Å; Y745-S774 PolarHBondContact OH-N 3.15Å; Y745-S774 VanDerWaalsContact OH-N 3.1Å; W747-S774 CarbonylContact O-C 3.57Å; W747-S774 VanDerWaalsContact O-CA 3.3Å; W747-S774 WeakPolarHBondContact O-CA 3.39Å; G772-S774 PolarHBondContact O-N 3.24Å; S774-T776 VanDerWaalsContact C-N 3.27Å; S774-T776 PolarHBondContact O-N 2.97Å; S774-T776 PolarHBondContact OG-OG1 3.12Å; S774-E777 WeakPolarHBondContact O-CB 3.39Å; S774-E777 PolarHBondContact O-N 3.3Å; S774-E777 VanDerWaalsContact O-N 3.13Å; S774-E777 PolarHBondContact OG-N 3.12Å; S774-M778 WeakPolarHBondContact O-CG 3.44Å; S774-M778 PolarHBondContact O-N 3.26Å | ||
| 775 | V | 90.7 | Very high | 90.4 | Very high | 5.33333 Ų | 5.33333 | 33.7 Ų | 33.7 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -36.1 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | L724 Y727 W747 P749 E777 M778 E779 | L724-V775 HydrophobicContact CD1-CB 4.46Å; L724-V775 HydrophobicContact CD1-CG1 4.05Å; L724-V775 HydrophobicContact CD1-CG2 3.73Å; Y727-V775 HydrophobicContact CD2-CG1 3.7Å; Y727-V775 HydrophobicContact CE2-CG1 4.47Å; Y727-V775 HydrophobicContact CG-CG1 4.28Å; W747-V775 HydrophobicContact CD2-CG2 4.15Å; W747-V775 HydrophobicContact CE3-CB 4.42Å; W747-V775 HydrophobicContact CE3-CG2 3.34Å; W747-V775 HydrophobicContact CZ3-CG2 3.7Å; W747-V775 PolarHBondContact O-N 3.22Å; P749-V775 HydrophobicContact CG-CG2 4.05Å; V775-E777 VanDerWaalsContact C-N 3.32Å; V775-E777 PolarHBondContact O-N 3.43Å; V775-M778 CarbonylContact O-C 3.57Å; V775-M778 WeakPolarHBondContact O-CB 3.26Å; V775-M778 PolarHBondContact O-N 3.25Å; V775-M778 VanDerWaalsContact O-N 3.1Å; V775-E779 HydrophobicContact CG1-CG 4.27Å; V775-E779 WeakPolarHBondContact O-CB 3.39Å; V775-E779 VanDerWaalsContact O-CG 3.3Å; V775-E779 WeakPolarHBondContact O-CG 3.25Å; V775-E779 PolarHBondContact O-N 3.11Å |
| 776 | T | 91.1 | Very high | 90 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 177.3 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | Y745 S774 E779 Y780 | Y745-T776 PolarHBondContact O-OG1 3.18Å; S774-T776 VanDerWaalsContact C-N 3.27Å; S774-T776 PolarHBondContact O-N 2.97Å; S774-T776 PolarHBondContact OG-OG1 3.12Å; T776-E779 WeakPolarHBondContact CA-OE2 3.34Å; T776-Y780 PolarHBondContact O-N 3.17Å |
| 777 | E | 93.7 | Very high | 89.3 | Confident | 15.3333 Ų | 15.3333 | 30.4 Ų | 30.4 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 171.2 | 179.3 | 169.6 | 165.9 | 0 | 0 | 111.6 | Y745 M773 S774 V775 E779 Y780 H781 F837 | Y745-E777 WeakPolarHBondContact CE2-OE2 3.37Å; Y745-E777 PolarHBondContact OH-OE2 3.05Å; M773-E777 WeakPolarHBondContact CE-OE1 3.38Å; M773-E777 HydrophobicContact CG-CG 4.44Å; S774-E777 WeakPolarHBondContact O-CB 3.39Å; S774-E777 PolarHBondContact O-N 3.3Å; S774-E777 VanDerWaalsContact O-N 3.13Å; S774-E777 PolarHBondContact OG-N 3.12Å; V775-E777 VanDerWaalsContact C-N 3.32Å; V775-E777 PolarHBondContact O-N 3.43Å; E777-E779 PolarHBondContact O-N 3.39Å; E777-Y780 WeakPolarHBondContact O-CB 3.42Å; E777-Y780 PolarHBondContact O-N 3.11Å; E777-H781 PolarHBondContact O-CD2 3.09Å; E777-H781 VanDerWaalsContact O-CD2 3.29Å; E777-H781 PolarHBondContact O-N 3.01Å; E777-H781 IonicContact OE1-NE2 2.79Å; E777-F837 HydrophobicContact CB-CD1 4.38Å; E777-F837 HydrophobicContact CB-CD2 4.23Å; E777-F837 HydrophobicContact CB-CE1 4.22Å; E777-F837 HydrophobicContact CB-CE2 4.09Å; E777-F837 HydrophobicContact CB-CG 4.39Å; E777-F837 HydrophobicContact CB-CZ 4.09Å; E777-F837 HydrophobicContact CG-CD2 3.79Å; E777-F837 HydrophobicContact CG-CE2 3.84Å; E777-F837 HydrophobicContact CG-CG 4.3Å; E777-F837 HydrophobicContact CG-CZ 4.35Å |
| 778 | M | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.9 | -63.6 | 173.7 | 69.2 | 0 | 0 | 112.6 | L724 L728 P749 V754 V765 F768 Y769 M773 S774 V775 H781 M782 | L724-M778 HydrophobicContact CD1-CE 4.2Å; L724-M778 HydrophobicContact CD1-SD 4.31Å; L728-M778 HydrophobicContact CD1-CE 4.19Å; L728-M778 HydrophobicContact CD2-CB 3.79Å; L728-M778 HydrophobicContact CD2-CE 4.41Å; P749-M778 HydrophobicContact CG-SD 3.96Å; V754-M778 HydrophobicContact CG1-CE 4.13Å; V754-M778 HydrophobicContact CG2-CE 4.26Å; V765-M778 HydrophobicContact CG1-CE 3.81Å; F768-M778 HydrophobicContact CE2-CB 4.13Å; F768-M778 HydrophobicContact CE2-CG 4.3Å; Y769-M778 HydrophobicContact CD2-CE 3.77Å; Y769-M778 HydrophobicContact CD2-CG 4.22Å; Y769-M778 HydrophobicContact CD2-SD 3.91Å; Y769-M778 HydrophobicContact CE2-CE 4.1Å; Y769-M778 HydrophobicContact CE2-SD 3.9Å; M773-M778 HydrophobicContact CB-CG 4.13Å; S774-M778 WeakPolarHBondContact O-CG 3.44Å; S774-M778 PolarHBondContact O-N 3.26Å; V775-M778 CarbonylContact O-C 3.57Å; V775-M778 WeakPolarHBondContact O-CB 3.26Å; V775-M778 PolarHBondContact O-N 3.25Å; V775-M778 VanDerWaalsContact O-N 3.1Å; M778-H781 PolarHBondContact O-N 2.99Å; M778-M782 WeakPolarHBondContact O-CB 3.22Å; M778-M782 WeakPolarHBondContact O-CG 3.26Å; M778-M782 PolarHBondContact O-N 3.23Å |
| 779 | E | 92.8 | Very high | 87.4 | Confident | 2.33333 Ų | 2.33333 | 30.7 Ų | 30.7 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 174.4 | -75.1 | 172 | 136.7 | 0 | 0 | 111 | Y669 S671 R710 Y727 A731 F737 V775 T776 E777 H781 M782 V783 | Y669-E779 HydrophobicContact CE1-CG 4.44Å; Y669-E779 VanDerWaalsContact CE1-OE1 3.26Å; Y669-E779 WeakPolarHBondContact CE1-OE1 3.47Å; Y669-E779 VanDerWaalsContact CZ-OE1 3.3Å; Y669-E779 PolarHBondContact OH-OE1 3.05Å; S671-E779 VanDerWaalsContact CB-OE2 3.23Å; S671-E779 WeakPolarHBondContact CB-OE2 3.34Å; S671-E779 PolarHBondContact OG-OE2 3.09Å; R710-E779 IonicContact CZ-OE1 3.12Å; R710-E779 IonicContact CZ-OE2 2.97Å; R710-E779 IonicContact NH1-OE1 2.69Å; R710-E779 PolarHBondContact NH1-OE1 3.33Å; R710-E779 IonicContact NH1-OE2 3.01Å; R710-E779 PolarHBondContact NH1-OE2 3.16Å; R710-E779 IonicContact NH2-OE1 3.3Å; R710-E779 PolarHBondContact NH2-OE1 2.91Å; R710-E779 IonicContact NH2-OE2 3.82Å; R710-E779 PolarHBondContact NH2-OE2 3.14Å; Y727-E779 WeakPolarHBondContact CB-OE1 3.14Å; A731-E779 HydrophobicContact CB-CB 4.05Å; A731-E779 HydrophobicContact CB-CG 4.17Å; F737-E779 HydrophobicContact CE2-CB 4.23Å; F737-E779 HydrophobicContact CZ-CB 4.25Å; V775-E779 HydrophobicContact CG1-CG 4.27Å; V775-E779 WeakPolarHBondContact O-CB 3.39Å; V775-E779 VanDerWaalsContact O-CG 3.3Å; V775-E779 WeakPolarHBondContact O-CG 3.25Å; V775-E779 PolarHBondContact O-N 3.11Å; T776-E779 WeakPolarHBondContact CA-OE2 3.34Å; E777-E779 PolarHBondContact O-N 3.39Å; E779-H781 VanDerWaalsContact C-N 3.34Å; E779-H781 PolarHBondContact O-N 3.31Å; E779-M782 PolarHBondContact O-N 2.99Å; E779-V783 VanDerWaalsContact O-CG2 3.24Å; E779-V783 WeakPolarHBondContact O-CG2 3.36Å; E779-V783 PolarHBondContact O-N 3.03Å |
| 780 | Y | 93.1 | Very high | 85.9 | Confident | 0.666667 Ų | 0.666667 | 33.7 Ų | 33.7 | 0% | 0.003 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 176.7 | 173.9 | -98.5 | 0 | 0 | 0 | 111.8 | F737 T776 E777 M782 V783 K784 M803 F837 L840 L841 D844 V846 | F737-Y780 HydrophobicContact CD1-CD2 4.43Å; F737-Y780 AromaticContact CE1-CD2 3.89Å; F737-Y780 HydrophobicContact CE1-CD2 4Å; T776-Y780 PolarHBondContact O-N 3.17Å; E777-Y780 WeakPolarHBondContact O-CB 3.42Å; E777-Y780 PolarHBondContact O-N 3.11Å; Y780-M782 VanDerWaalsContact C-N 3.33Å; Y780-M782 PolarHBondContact O-N 3.26Å; Y780-V783 PolarHBondContact O-N 3.18Å; Y780-K784 HydrophobicContact CE1-CD 4.39Å; Y780-K784 WeakPolarHBondContact O-CB 3.34Å; Y780-K784 PolarHBondContact O-N 3.07Å; Y780-M803 HydrophobicContact CD2-CE 3.52Å; Y780-M803 HydrophobicContact CD2-SD 4.39Å; Y780-M803 HydrophobicContact CE2-CE 3.45Å; Y780-M803 HydrophobicContact CE2-SD 3.89Å; Y780-M803 HydrophobicContact CG-CE 4.3Å; Y780-F837 AromaticContact CD1-CE2 3.86Å; Y780-F837 HydrophobicContact CD1-CE2 3.86Å; Y780-F837 HydrophobicContact CD1-CZ 4.38Å; Y780-F837 HydrophobicContact CG-CE2 4.13Å; Y780-F837 HydrophobicContact CG-CZ 4.18Å; Y780-L840 HydrophobicContact CD1-CD2 4.28Å; Y780-L840 HydrophobicContact CE1-CD2 3.6Å; Y780-L841 HydrophobicContact CD1-CD2 4.11Å; Y780-L841 HydrophobicContact CD2-CD2 3.78Å; Y780-L841 HydrophobicContact CE1-CD2 3.79Å; Y780-L841 HydrophobicContact CE2-CD2 3.44Å; Y780-L841 VanDerWaalsContact CE2-CD2 3.46Å; Y780-L841 HydrophobicContact CG-CD2 4.1Å; Y780-L841 VanDerWaalsContact CZ-CD2 3.43Å; Y780-D844 WeakPolarHBondContact CE1-OD2 3.48Å; Y780-D844 VanDerWaalsContact OH-CB 3.3Å; Y780-D844 WeakPolarHBondContact OH-CB 3.36Å; Y780-D844 PolarHBondContact OH-OD2 3.06Å; Y780-V846 HydrophobicContact CE2-CG2 4.19Å; Y780-V846 VanDerWaalsContact OH-CG2 3.27Å; Y780-V846 WeakPolarHBondContact OH-CG2 3.42Å |
| 781 | H | 92 | Very high | 84.1 | Confident | 23.6667 Ų | 23.6667 | 28.7 Ų | 28.7 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 177.6 | -83.6 | -65.9 | 0 | 0 | 0 | 113.3 | F768 E777 M778 E779 K784 L785 | F768-H781 HydrophobicContact CB-CB 4.16Å; F768-H781 HydrophobicContact CD1-CB 3.96Å; F768-H781 HydrophobicContact CD2-CB 3.26Å; F768-H781 AromaticContact CD2-CD2 3.98Å; F768-H781 AromaticContact CD2-CG 3.68Å; F768-H781 HydrophobicContact CE1-CB 4.12Å; F768-H781 HydrophobicContact CE2-CB 3.49Å; F768-H781 VanDerWaalsContact CE2-CB 3.46Å; F768-H781 HydrophobicContact CG-CB 3.52Å; F768-H781 VanDerWaalsContact CG-CB 3.49Å; F768-H781 AromaticContact CG-CG 3.92Å; F768-H781 HydrophobicContact CZ-CB 3.91Å; E777-H781 PolarHBondContact O-CD2 3.09Å; E777-H781 VanDerWaalsContact O-CD2 3.29Å; E777-H781 PolarHBondContact O-N 3.01Å; E777-H781 IonicContact OE1-NE2 2.79Å; M778-H781 PolarHBondContact O-N 2.99Å; E779-H781 VanDerWaalsContact C-N 3.34Å; E779-H781 PolarHBondContact O-N 3.31Å; H781-K784 WeakPolarHBondContact O-CB 3.44Å; H781-K784 PolarHBondContact O-N 2.99Å; H781-L785 PolarHBondContact O-N 3.15Å |
| 782 | M | 89.9 | Confident | 82.2 | Confident | 8.33333 Ų | 8.33333 | 29.3 Ų | 29.3 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.6 | -107.1 | -29.2 | -126.9 | 0 | 0 | 111.9 | L728 A732 L761 E764 V765 F768 M778 E779 Y780 K784 L785 A786 | L728-M782 HydrophobicContact CB-CE 4.03Å; L728-M782 HydrophobicContact CB-CG 4.21Å; L728-M782 HydrophobicContact CD2-CB 4.31Å; L728-M782 HydrophobicContact CD2-CG 3.9Å; L728-M782 HydrophobicContact CG-CG 4.38Å; A732-M782 HydrophobicContact CB-CB 4.47Å; A732-M782 HydrophobicContact CB-CE 4.01Å; A732-M782 HydrophobicContact CB-CG 3.85Å; L761-M782 HydrophobicContact CD1-CE 3.55Å; L761-M782 VanDerWaalsContact CD1-CE 3.41Å; L761-M782 HydrophobicContact CD1-SD 4.42Å; L761-M782 HydrophobicContact CG-CE 3.85Å; E764-M782 HydrophobicContact CB-CE 4.13Å; E764-M782 HydrophobicContact CB-SD 4.28Å; E764-M782 HydrophobicContact CG-CE 4.38Å; V765-M782 HydrophobicContact CG2-CE 3.52Å; V765-M782 HydrophobicContact CG2-SD 4.22Å; F768-M782 HydrophobicContact CE1-CG 4.08Å; F768-M782 HydrophobicContact CE1-SD 3.83Å; F768-M782 VanDerWaalsContact CE1-SD 3.54Å; F768-M782 HydrophobicContact CZ-CB 4.4Å; F768-M782 HydrophobicContact CZ-CG 3.75Å; F768-M782 HydrophobicContact CZ-SD 3.8Å; M778-M782 WeakPolarHBondContact O-CB 3.22Å; M778-M782 WeakPolarHBondContact O-CG 3.26Å; M778-M782 PolarHBondContact O-N 3.23Å; E779-M782 PolarHBondContact O-N 2.99Å; Y780-M782 VanDerWaalsContact C-N 3.33Å; Y780-M782 PolarHBondContact O-N 3.26Å; M782-K784 VanDerWaalsContact C-N 3.33Å; M782-K784 PolarHBondContact O-N 3.21Å; M782-L785 PolarHBondContact O-N 3.06Å; M782-A786 WeakPolarHBondContact O-CB 3.29Å; M782-A786 PolarHBondContact O-N 3.02Å |
| 783 | V | 88.6 | Confident | 80.1 | Confident | 10.6667 Ų | 10.6667 | 38.6 Ų | 38.6 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | A731 F737 E779 Y780 L785 A786 A787 M803 | A731-V783 HydrophobicContact CB-CG2 3.77Å; A731-V783 VanDerWaalsContact O-CG2 3.23Å; A731-V783 WeakPolarHBondContact O-CG2 3.45Å; F737-V783 HydrophobicContact CB-CG1 3.91Å; F737-V783 HydrophobicContact CB-CG2 4.29Å; F737-V783 HydrophobicContact CD2-CB 4.36Å; F737-V783 HydrophobicContact CD2-CG1 4.49Å; F737-V783 HydrophobicContact CD2-CG2 3.38Å; F737-V783 VanDerWaalsContact CD2-CG2 3.41Å; F737-V783 HydrophobicContact CE2-CG2 3.72Å; F737-V783 HydrophobicContact CG-CB 4.38Å; F737-V783 HydrophobicContact CG-CG1 4.27Å; F737-V783 HydrophobicContact CG-CG2 3.85Å; F737-V783 HydrophobicContact CZ-CG2 4.41Å; E779-V783 VanDerWaalsContact O-CG2 3.24Å; E779-V783 WeakPolarHBondContact O-CG2 3.36Å; E779-V783 PolarHBondContact O-N 3.03Å; Y780-V783 PolarHBondContact O-N 3.18Å; V783-L785 PolarHBondContact O-N 2.89Å; V783-A786 WeakPolarHBondContact O-CB 3.36Å; V783-A786 PolarHBondContact O-N 3.31Å; V783-A787 VanDerWaalsContact O-CB 3.31Å; V783-A787 WeakPolarHBondContact O-CB 3.27Å; V783-A787 PolarHBondContact O-N 2.89Å; V783-M803 HydrophobicContact CB-CE 3.69Å; V783-M803 HydrophobicContact CG1-CE 3.54Å; V783-M803 HydrophobicContact CG1-CG 4.48Å; V783-M803 HydrophobicContact CG1-SD 4.12Å |
| 784 | K | 87.1 | Confident | 77.5 | Confident | 51.3333 Ų | 51.3333 | 41.5 Ų | 41.5 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 176.3 | -176.8 | 172.8 | -173.7 | -179.4 | 0 | 111.7 | Y780 H781 M782 A787 V788 F799 M803 D844 | Y780-K784 HydrophobicContact CE1-CD 4.39Å; Y780-K784 WeakPolarHBondContact O-CB 3.34Å; Y780-K784 PolarHBondContact O-N 3.07Å; H781-K784 WeakPolarHBondContact O-CB 3.44Å; H781-K784 PolarHBondContact O-N 2.99Å; M782-K784 VanDerWaalsContact C-N 3.33Å; M782-K784 PolarHBondContact O-N 3.21Å; K784-A787 PolarHBondContact O-N 2.88Å; K784-V788 VanDerWaalsContact O-CG2 3.31Å; K784-V788 WeakPolarHBondContact O-CG2 3.24Å; K784-V788 PolarHBondContact O-N 2.77Å; K784-V788 VanDerWaalsContact O-N 3.11Å; K784-F799 HydrophobicContact CB-CE2 4.22Å; K784-F799 HydrophobicContact CB-CZ 4.01Å; K784-F799 HydrophobicContact CD-CZ 4.16Å; K784-F799 HydrophobicContact CG-CE1 4.46Å; K784-F799 HydrophobicContact CG-CE2 4.1Å; K784-F799 HydrophobicContact CG-CZ 3.6Å; K784-M803 HydrophobicContact CB-CE 4.25Å; K784-D844 WeakPolarHBondContact CE-OD2 3.34Å; K784-D844 IonicContact NZ-OD1 3.55Å; K784-D844 PolarHBondContact NZ-OD1 3Å; K784-D844 IonicContact NZ-OD2 3.22Å; K784-D844 PolarHBondContact NZ-OD2 3.23Å |
| 785 | L | 84.3 | Confident | 74.9 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.5 | -80.6 | 179.6 | 0 | 0 | 0 | 112.5 | E764 K767 F768 H781 M782 V783 A787 V788 N789 | E764-L785 WeakPolarHBondContact O-CD1 3.23Å; K767-L785 HydrophobicContact CB-CD1 4.13Å; K767-L785 HydrophobicContact CD-CD1 4.17Å; K767-L785 HydrophobicContact CD-CD2 4.23Å; F768-L785 HydrophobicContact CD1-CD1 3.49Å; F768-L785 VanDerWaalsContact CD1-CD1 3.44Å; F768-L785 HydrophobicContact CD1-CG 4.35Å; F768-L785 HydrophobicContact CE1-CD1 3.74Å; H781-L785 PolarHBondContact O-N 3.15Å; M782-L785 PolarHBondContact O-N 3.06Å; V783-L785 PolarHBondContact O-N 2.89Å; L785-A787 VanDerWaalsContact C-N 3.31Å; L785-A787 PolarHBondContact O-N 2.97Å; L785-V788 PolarHBondContact O-N 3.22Å; L785-N789 PolarHBondContact O-N 2.99Å; L785-N789 PolarHBondContact O-ND2 3.03Å |
| 786 | A | 79.9 | Confident | 72.5 | Confident | 13.6667 Ų | 13.6667 | 53.2 Ų | 53.2 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A732 M782 V783 N789 K790 | A732-A786 HydrophobicContact CB-CB 4.24Å; A732-A786 WeakPolarHBondContact O-CB 3.36Å; M782-A786 WeakPolarHBondContact O-CB 3.29Å; M782-A786 PolarHBondContact O-N 3.02Å; V783-A786 WeakPolarHBondContact O-CB 3.36Å; V783-A786 PolarHBondContact O-N 3.31Å; A786-N789 PolarHBondContact O-N 3.17Å; A786-K790 WeakPolarHBondContact O-CG 3.21Å; A786-K790 PolarHBondContact O-N 3.21Å |
| 787 | A | 75.9 | Confident | 70.4 | Confident | 20.6667 Ų | 20.6667 | 59.6 Ų | 59.6 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V783 K784 L785 N789 K790 L791 F799 | V783-A787 VanDerWaalsContact O-CB 3.31Å; V783-A787 WeakPolarHBondContact O-CB 3.27Å; V783-A787 PolarHBondContact O-N 2.89Å; K784-A787 PolarHBondContact O-N 2.88Å; L785-A787 VanDerWaalsContact C-N 3.31Å; L785-A787 PolarHBondContact O-N 2.97Å; A787-N789 VanDerWaalsContact C-N 3.31Å; A787-N789 PolarHBondContact O-N 3.23Å; A787-K790 PolarHBondContact O-N 2.9Å; A787-L791 WeakPolarHBondContact O-CB 3.35Å; A787-L791 WeakPolarHBondContact O-CD1 3.25Å; A787-L791 WeakPolarHBondContact O-CG 3.11Å; A787-L791 PolarHBondContact O-N 3.11Å; A787-F799 HydrophobicContact CB-CB 3.6Å; A787-F799 HydrophobicContact CB-CD2 3.64Å; A787-F799 HydrophobicContact CB-CE2 3.81Å |
| 788 | V | 72.5 | Confident | 68.7 | Low | 78 Ų | 78 | 62.3 Ų | 62.3 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | K784 L785 K790 L791 S792 | K784-V788 VanDerWaalsContact O-CG2 3.31Å; K784-V788 WeakPolarHBondContact O-CG2 3.24Å; K784-V788 PolarHBondContact O-N 2.77Å; K784-V788 VanDerWaalsContact O-N 3.11Å; L785-V788 PolarHBondContact O-N 3.22Å; V788-K790 PolarHBondContact O-N 2.92Å; V788-L791 WeakPolarHBondContact O-CB 3.47Å; V788-L791 PolarHBondContact O-N 3.09Å; V788-S792 PolarHBondContact O-N 3.37Å; V788-S792 PolarHBondContact O-OG 3.45Å |
| 789 | N | 66.8 | Low | 67.2 | Low | 75.6667 Ų | 75.6667 | 63.8 Ų | 63.8 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 176.6 | -72.1 | -38.1 | 0 | 0 | 0 | 112.6 | L785 A786 A787 S792 | L785-N789 PolarHBondContact O-N 2.99Å; L785-N789 PolarHBondContact O-ND2 3.03Å; A786-N789 PolarHBondContact O-N 3.17Å; A787-N789 VanDerWaalsContact C-N 3.31Å; A787-N789 PolarHBondContact O-N 3.23Å; N789-S792 PolarHBondContact O-OG 3.17Å |
| 790 | K | 61.7 | Low | 65.8 | Low | 93.3333 Ų | 93.3333 | 65.3 Ų | 65.3 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 172.4 | -74.5 | 179.1 | 180 | 179.7 | 0 | 111.8 | S734 D735 A786 A787 V788 S792 R793 | S734-K790 PolarHBondContact O-NZ 3.1Å; D735-K790 IonicContact OD1-NZ 3.31Å; A786-K790 WeakPolarHBondContact O-CG 3.21Å; A786-K790 PolarHBondContact O-N 3.21Å; A787-K790 PolarHBondContact O-N 2.9Å; V788-K790 PolarHBondContact O-N 2.92Å; K790-S792 VanDerWaalsContact C-N 3.31Å; K790-S792 PolarHBondContact O-N 3.24Å; K790-R793 PolarHBondContact O-N 3.41Å |
| 791 | L | 51.6 | Low | 64.8 | Low | 36.3333 Ų | 36.3333 | 67 Ų | 67 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70 | -22.2 | -175.3 | -104.8 | 114.9 | 0 | 0 | 0 | 114.8 | A787 V788 R793 T794 F796 N797 M798 F799 | A787-L791 WeakPolarHBondContact O-CB 3.35Å; A787-L791 WeakPolarHBondContact O-CD1 3.25Å; A787-L791 WeakPolarHBondContact O-CG 3.11Å; A787-L791 PolarHBondContact O-N 3.11Å; V788-L791 WeakPolarHBondContact O-CB 3.47Å; V788-L791 PolarHBondContact O-N 3.09Å; L791-R793 PolarHBondContact O-N 3.36Å; L791-T794 CarbonylContact O-C 3.57Å; L791-T794 PolarHBondContact O-N 3.37Å; L791-T794 VanDerWaalsContact O-N 3.08Å; L791-F796 WeakPolarHBondContact CD1-O 3.15Å; L791-F796 VanDerWaalsContact CD2-O 3.31Å; L791-F796 WeakPolarHBondContact CD2-O 3.41Å; L791-F796 VanDerWaalsContact CG-O 3.31Å; L791-F796 WeakPolarHBondContact CG-O 3.08Å; L791-N797 HydrophobicContact CD2-CB 4.42Å; L791-M798 HydrophobicContact CD2-CB 4.34Å; L791-F799 HydrophobicContact CD1-CB 3.74Å; L791-F799 HydrophobicContact CD1-CD2 4.38Å; L791-F799 HydrophobicContact CD2-CB 4.16Å |
| 792 | S | 47.4 | Very low | 64.2 | Low | 98.6667 Ų | 98.6667 | 69.9 Ų | 69.9 | 69% | 0.69 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -11.1 | 178.2 | 37.5 | 0 | 0 | 0 | 0 | 114.3 | V788 N789 K790 | V788-S792 PolarHBondContact O-N 3.37Å; V788-S792 PolarHBondContact O-OG 3.45Å; N789-S792 PolarHBondContact O-OG 3.17Å; K790-S792 VanDerWaalsContact C-N 3.31Å; K790-S792 PolarHBondContact O-N 3.24Å |
| 793 | R | 43.5 | Very low | 64.1 | Low | 219 Ų | 219 | 69.6 Ų | 69.6 | 83% | 0.826 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -11.5 | 176.7 | -70 | -178.3 | 161.2 | 178.1 | -5.5 | 115.2 | K790 L791 | K790-R793 PolarHBondContact O-N 3.41Å; L791-R793 PolarHBondContact O-N 3.36Å |
| 794 | T | 38.7 | Very low | 64.2 | Low | 72.3333 Ų | 72.3333 | 69.4 Ų | 69.4 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -135.4 | 111.5 | -175.4 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | L791 F796 F1397 | L791-T794 CarbonylContact O-C 3.57Å; L791-T794 PolarHBondContact O-N 3.37Å; L791-T794 VanDerWaalsContact O-N 3.08Å; T794-F796 PolarHBondContact O-N 3.08Å; T794-F1397 HydrophobicContact CG2-CB 4Å; T794-F1397 HydrophobicContact CG2-CD1 3.72Å; T794-F1397 HydrophobicContact CG2-CD2 3.91Å; T794-F1397 HydrophobicContact CG2-CE1 4.15Å; T794-F1397 HydrophobicContact CG2-CE2 4.32Å; T794-F1397 HydrophobicContact CG2-CG 3.59Å; T794-F1397 HydrophobicContact CG2-CZ 4.43Å |
| 795 | G | 38 | Very low | 64.5 | Low | 76.3333 Ų | 76.3333 | 67.1 Ų | 67.1 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | trans | -64.5 | 62.8 | -169 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 796 | F | 40.3 | Very low | 64.9 | Low | 175 Ų | 175 | 65.3 Ų | 65.3 | 77% | 0.768 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -151.7 | 125.8 | 173.1 | -70.2 | -80.6 | 0 | 0 | 0 | 114 | L791 T794 M798 | L791-F796 WeakPolarHBondContact CD1-O 3.15Å; L791-F796 VanDerWaalsContact CD2-O 3.31Å; L791-F796 WeakPolarHBondContact CD2-O 3.41Å; L791-F796 VanDerWaalsContact CG-O 3.31Å; L791-F796 WeakPolarHBondContact CG-O 3.08Å; T794-F796 PolarHBondContact O-N 3.08Å; F796-M798 VanDerWaalsContact C-N 3.3Å; F796-M798 HydrophobicContact CB-CG 4.38Å; F796-M798 PolarHBondContact O-N 3.05Å |
| 797 | N | 47.1 | Very low | 65.5 | Low | 141.333 Ų | 141.333 | 66.1 Ų | 66.1 | 76% | 0.756 | 35% | 0.353 | S | S | * | . | trans | -42.6 | 53.1 | 169.8 | -97.3 | 0.8 | 0 | 0 | 0 | 115.5 | L791 F799 P800 | L791-N797 HydrophobicContact CD2-CB 4.42Å; N797-F799 PolarHBondContact O-N 2.75Å; N797-P800 WeakPolarHBondContact O-CD 3.33Å | ||
| 798 | M | 57.1 | Low | 66.1 | Low | 73 Ų | 73 | 65.8 Ų | 65.8 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | trans | -80.5 | 3.3 | 177.6 | -77.3 | -177.9 | 77.2 | 0 | 0 | 114.5 | L791 F796 P800 S801 L886 | L791-M798 HydrophobicContact CD2-CB 4.34Å; F796-M798 VanDerWaalsContact C-N 3.3Å; F796-M798 HydrophobicContact CB-CG 4.38Å; F796-M798 PolarHBondContact O-N 3.05Å; M798-P800 VanDerWaalsContact C-CD 3.46Å; M798-S801 WeakPolarHBondContact O-CB 3.28Å; M798-S801 PolarHBondContact O-N 3.08Å; M798-L886 HydrophobicContact CE-CD2 4.16Å | ||
| 799 | F | 62.6 | Low | 66.7 | Low | 29.6667 Ų | 29.6667 | 67.7 Ų | 67.7 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -53.9 | -50.1 | -178.4 | 147.2 | -99 | 0 | 0 | 0 | 114.1 | K784 A787 L791 N797 S801 R802 M803 | K784-F799 HydrophobicContact CB-CE2 4.22Å; K784-F799 HydrophobicContact CB-CZ 4.01Å; K784-F799 HydrophobicContact CD-CZ 4.16Å; K784-F799 HydrophobicContact CG-CE1 4.46Å; K784-F799 HydrophobicContact CG-CE2 4.1Å; K784-F799 HydrophobicContact CG-CZ 3.6Å; A787-F799 HydrophobicContact CB-CB 3.6Å; A787-F799 HydrophobicContact CB-CD2 3.64Å; A787-F799 HydrophobicContact CB-CE2 3.81Å; L791-F799 HydrophobicContact CD1-CB 3.74Å; L791-F799 HydrophobicContact CD1-CD2 4.38Å; L791-F799 HydrophobicContact CD2-CB 4.16Å; N797-F799 PolarHBondContact O-N 2.75Å; F799-S801 PolarHBondContact O-N 3.21Å; F799-S801 VanDerWaalsContact O-N 3.16Å; F799-R802 PolarHBondContact O-N 2.72Å; F799-M803 HydrophobicContact CD2-SD 4.21Å; F799-M803 HydrophobicContact CE1-SD 4.32Å; F799-M803 HydrophobicContact CE2-CE 3.88Å; F799-M803 HydrophobicContact CE2-SD 3.85Å; F799-M803 WeakPolarHBondContact CE2-SD 3.26Å; F799-M803 HydrophobicContact CZ-CE 3.8Å; F799-M803 HydrophobicContact CZ-SD 3.58Å; F799-M803 WeakPolarHBondContact CZ-SD 3.42Å |
| 800 | P | 64.7 | Low | 67.3 | Low | 35.3333 Ų | 35.3333 | 65.4 Ų | 65.4 | 23% | 0.229 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -70.1 | -15 | -177.8 | -1.2 | 10.3 | 0 | 0 | 0 | 113 | N797 M798 R802 G845 | N797-P800 WeakPolarHBondContact O-CD 3.33Å; M798-P800 VanDerWaalsContact C-CD 3.46Å; P800-R802 VanDerWaalsContact C-N 3.28Å; P800-R802 PolarHBondContact O-N 2.98Å; P800-G845 WeakPolarHBondContact CB-O 3.41Å |
| 801 | S | 70.3 | Confident | 67.9 | Low | 35.5 Ų | 35.5 | 65.4 Ų | 65.4 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -80.9 | 1.1 | -176.3 | -59.7 | 0 | 0 | 0 | 0 | 114.6 | M798 F799 F804 R885 | M798-S801 WeakPolarHBondContact O-CB 3.28Å; M798-S801 PolarHBondContact O-N 3.08Å; F799-S801 PolarHBondContact O-N 3.21Å; F799-S801 VanDerWaalsContact O-N 3.16Å; S801-F804 WeakPolarHBondContact O-CZ 3.43Å; S801-R885 VanDerWaalsContact CB-NH1 3.34Å; S801-R885 PolarHBondContact O-NH2 3.27Å; S801-R885 PolarHBondContact OG-NH1 2.95Å |
| 802 | R | 80.7 | Confident | 68.8 | Low | 84 Ų | 84 | 66 Ų | 66 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -125.5 | 1.6 | -178.6 | -60.4 | -173.7 | -178 | -150 | 1.5 | 113.6 | D735 I736 F737 F799 P800 L886 | D735-R802 WeakPolarHBondContact O-CD 3.41Å; I736-R802 WeakPolarHBondContact CA-O 3.46Å; F737-R802 PolarHBondContact N-O 3.05Å; F799-R802 PolarHBondContact O-N 2.72Å; P800-R802 VanDerWaalsContact C-N 3.28Å; P800-R802 PolarHBondContact O-N 2.98Å; R802-L886 HydrophobicContact CG-CD1 4.46Å |
| 803 | M | 87.3 | Confident | 70 | Confident | 3.75 Ų | 3.75 | 65.4 Ų | 65.4 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.5 | 179.7 | -62 | -179 | 113.7 | 0 | 0 | 108.8 | F737 Y780 V783 K784 F799 V846 S847 | F737-M803 HydrophobicContact CB-CE 4.39Å; F737-M803 HydrophobicContact CB-CG 4.35Å; F737-M803 HydrophobicContact CD1-CE 4.05Å; F737-M803 HydrophobicContact CE1-CE 4.25Å; F737-M803 HydrophobicContact CG-CE 4.25Å; F737-M803 WeakPolarHBondContact O-CA 3.32Å; Y780-M803 HydrophobicContact CD2-CE 3.52Å; Y780-M803 HydrophobicContact CD2-SD 4.39Å; Y780-M803 HydrophobicContact CE2-CE 3.45Å; Y780-M803 HydrophobicContact CE2-SD 3.89Å; Y780-M803 HydrophobicContact CG-CE 4.3Å; V783-M803 HydrophobicContact CB-CE 3.69Å; V783-M803 HydrophobicContact CG1-CE 3.54Å; V783-M803 HydrophobicContact CG1-CG 4.48Å; V783-M803 HydrophobicContact CG1-SD 4.12Å; K784-M803 HydrophobicContact CB-CE 4.25Å; F799-M803 HydrophobicContact CD2-SD 4.21Å; F799-M803 HydrophobicContact CE1-SD 4.32Å; F799-M803 HydrophobicContact CE2-CE 3.88Å; F799-M803 HydrophobicContact CE2-SD 3.85Å; F799-M803 WeakPolarHBondContact CE2-SD 3.26Å; F799-M803 HydrophobicContact CZ-CE 3.8Å; F799-M803 HydrophobicContact CZ-SD 3.58Å; F799-M803 WeakPolarHBondContact CZ-SD 3.42Å; M803-V846 HydrophobicContact CB-CG1 3.65Å; M803-V846 HydrophobicContact CB-CG2 4.43Å; M803-V846 VanDerWaalsContact O-CG1 3.25Å; M803-V846 WeakPolarHBondContact O-CG1 3.3Å; M803-V846 HydrophobicContact SD-CG2 4.42Å; M803-S847 PolarHBondContact O-OG 3.19Å |
| 804 | F | 91.3 | Very high | 71.3 | Confident | 5.75 Ų | 5.75 | 59.3 Ų | 59.3 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130 | -178.4 | -57.2 | -70.7 | 0 | 0 | 0 | 109.8 | I736 F737 V738 L739 S801 F806 S847 T878 L879 T882 | I736-F804 HydrophobicContact CG2-CD2 3.85Å; I736-F804 HydrophobicContact CG2-CE2 3.87Å; F737-F804 PolarHBondContact O-N 3.11Å; V738-F804 CarbonylContact C-O 3.54Å; V738-F804 WeakPolarHBondContact CA-O 3.37Å; L739-F804 PolarHBondContact N-O 3.14Å; S801-F804 WeakPolarHBondContact O-CZ 3.43Å; F804-F806 HydrophobicContact CB-CE2 3.92Å; F804-S847 WeakPolarHBondContact CD1-OG 3.34Å; F804-S847 VanDerWaalsContact CE1-OG 3.28Å; F804-S847 WeakPolarHBondContact CE1-OG 3.31Å; F804-T878 HydrophobicContact CB-CG2 4.34Å; F804-T878 HydrophobicContact CD1-CG2 3.2Å; F804-T878 HydrophobicContact CD2-CG2 4.21Å; F804-T878 HydrophobicContact CE1-CG2 3.41Å; F804-T878 VanDerWaalsContact CE1-CG2 3.44Å; F804-T878 HydrophobicContact CE2-CG2 4.37Å; F804-T878 HydrophobicContact CG-CG2 3.67Å; F804-T878 HydrophobicContact CZ-CG2 4.02Å; F804-L879 HydrophobicContact CD2-CD2 4.32Å; F804-L879 HydrophobicContact CE2-CD2 4.49Å; F804-T882 HydrophobicContact CE1-CG2 4.08Å; F804-T882 HydrophobicContact CE2-CG2 3.92Å; F804-T882 HydrophobicContact CZ-CG2 3.7Å; F804-T882 WeakPolarHBondContact CZ-OG1 3.35Å |
| 805 | V | 92.4 | Very high | 73.2 | Confident | 1.75 Ų | 1.75 | 56.5 Ų | 56.5 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.6 | 179.7 | -177 | 0 | 0 | 0 | 0 | 108.4 | L739 L741 I807 L841 V846 S847 I848 L849 | L739-V805 HydrophobicContact CB-CG1 4.49Å; L739-V805 HydrophobicContact CB-CG2 4.28Å; L739-V805 HydrophobicContact CD2-CG1 4.33Å; L739-V805 HydrophobicContact CD2-CG2 4.23Å; L739-V805 HydrophobicContact CG-CG1 4.49Å; L739-V805 CarbonylContact O-C 3.54Å; L739-V805 WeakPolarHBondContact O-CA 3.41Å; L741-V805 HydrophobicContact CD1-CG1 3.97Å; L741-V805 HydrophobicContact CG-CG1 4.43Å; V805-I807 HydrophobicContact CG1-CD1 4.35Å; V805-I807 HydrophobicContact CG1-CG1 3.9Å; V805-L841 HydrophobicContact CG1-CD1 4.07Å; V805-L841 HydrophobicContact CG2-CD1 4.26Å; V805-L841 HydrophobicContact CG2-CD2 4.18Å; V805-V846 HydrophobicContact CG2-CB 4.49Å; V805-V846 HydrophobicContact CG2-CG1 3.82Å; V805-S847 PolarHBondContact N-O 3.24Å; V805-I848 HydrophobicContact CB-CG1 3.98Å; V805-I848 HydrophobicContact CG1-CG1 4.36Å; V805-I848 HydrophobicContact CG2-CG1 4.38Å; V805-I848 CarbonylContact O-C 3.57Å; V805-I848 WeakPolarHBondContact O-CA 3.36Å; V805-L849 PolarHBondContact O-N 3.08Å |
| 806 | F | 93.2 | Very high | 75.1 | Confident | 1.25 Ų | 1.25 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.8 | 173.8 | -64.1 | -93.3 | 0 | 0 | 0 | 109.1 | V738 L739 L740 L741 F804 L849 Y851 F871 Q874 F875 T878 | V738-F806 HydrophobicContact CG1-CD2 3.72Å; V738-F806 HydrophobicContact CG1-CE2 3.74Å; L739-F806 PolarHBondContact O-N 3.17Å; L740-F806 WeakPolarHBondContact CA-O 3.43Å; L740-F806 HydrophobicContact CD2-CB 3.84Å; L740-F806 HydrophobicContact CD2-CD2 3.98Å; L740-F806 HydrophobicContact CD2-CG 4.22Å; L741-F806 PolarHBondContact N-O 3.18Å; F804-F806 HydrophobicContact CB-CE2 3.92Å; F806-L849 CarbonylContact C-O 3.55Å; F806-L849 VanDerWaalsContact CA-O 3.28Å; F806-L849 WeakPolarHBondContact CA-O 3.4Å; F806-L849 HydrophobicContact CD1-CB 3.89Å; F806-L849 HydrophobicContact CD1-CD1 4.25Å; F806-L849 HydrophobicContact CE1-CB 4.02Å; F806-L849 HydrophobicContact CE1-CD1 3.52Å; F806-L849 VanDerWaalsContact CE1-CD1 3.48Å; F806-L849 HydrophobicContact CE1-CG 4.42Å; F806-L849 HydrophobicContact CZ-CD1 3.84Å; F806-Y851 HydrophobicContact CB-CD1 4.33Å; F806-Y851 HydrophobicContact CB-CE1 3.89Å; F806-F871 HydrophobicContact CB-CD2 4.27Å; F806-F871 HydrophobicContact CB-CE2 3.87Å; F806-F871 AromaticContact CD1-CD2 3.91Å; F806-F871 HydrophobicContact CD1-CD2 3.91Å; F806-F871 AromaticContact CD1-CE2 3.86Å; F806-F871 HydrophobicContact CD1-CE2 3.86Å; F806-F871 HydrophobicContact CD2-CE2 4.42Å; F806-F871 HydrophobicContact CE1-CE2 4.46Å; F806-F871 HydrophobicContact CG-CD2 4.24Å; F806-F871 AromaticContact CG-CE2 3.79Å; F806-F871 HydrophobicContact CG-CE2 3.79Å; F806-Q874 HydrophobicContact CE1-CB 4.1Å; F806-F875 HydrophobicContact CE1-CB 4.26Å; F806-F875 AromaticContact CE2-CD2 3.93Å; F806-F875 HydrophobicContact CE2-CD2 3.99Å; F806-F875 HydrophobicContact CZ-CB 4.18Å; F806-F875 HydrophobicContact CZ-CD2 4.09Å; F806-T878 HydrophobicContact CZ-CG2 4.42Å |
| 807 | I | 91.6 | Very high | 76.8 | Confident | 31.5 Ų | 31.5 | 54.8 Ų | 54.8 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | -178.2 | -55.4 | -176 | 0 | 0 | 0 | 109.2 | L741 V805 D809 I848 L849 S850 Y851 | L741-I807 HydrophobicContact CB-CG1 4.4Å; L741-I807 WeakPolarHBondContact O-CA 3.42Å; V805-I807 HydrophobicContact CG1-CD1 4.35Å; V805-I807 HydrophobicContact CG1-CG1 3.9Å; I807-D809 PolarHBondContact O-N 3.5Å; I807-I848 HydrophobicContact CD1-CG2 3.52Å; I807-I848 VanDerWaalsContact CD1-CG2 3.47Å; I807-I848 HydrophobicContact CG1-CG2 3.97Å; I807-L849 PolarHBondContact N-O 3.19Å; I807-S850 VanDerWaalsContact O-CA 3.28Å; I807-S850 WeakPolarHBondContact O-CA 3.36Å; I807-Y851 WeakPolarHBondContact O-CD1 3.38Å; I807-Y851 PolarHBondContact O-N 3.06Å; I807-Y851 VanDerWaalsContact O-N 3.1Å |
| 808 | R | 89.7 | Confident | 78.3 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.9 | 175.9 | -168.8 | 173.6 | 57.3 | -155.3 | -0.7 | 111 | D676 M677 E680 L741 F810 Y851 A853 | D676-R808 VanDerWaalsContact O-CZ 3.28Å; D676-R808 PolarHBondContact O-NH1 2.83Å; D676-R808 PolarHBondContact O-NH2 2.97Å; D676-R808 IonicContact OD1-CZ 3Å; D676-R808 IonicContact OD1-NH2 3.82Å; D676-R808 PolarHBondContact OD1-NH2 2.64Å; D676-R808 IonicContact OD2-NH2 3.1Å; M677-R808 HydrophobicContact CE-CB 4.06Å; M677-R808 PolarHBondContact SD-NH1 3.32Å; M677-R808 VanDerWaalsContact SD-NH1 3.44Å; E680-R808 VanDerWaalsContact CD-NH1 3.3Å; E680-R808 VanDerWaalsContact OE1-CD 3.29Å; E680-R808 WeakPolarHBondContact OE1-CD 3.3Å; E680-R808 IonicContact OE1-CZ 3.34Å; E680-R808 IonicContact OE1-NE 2.97Å; E680-R808 IonicContact OE1-NH1 3.01Å; E680-R808 PolarHBondContact OE1-NH1 3.01Å; E680-R808 IonicContact OE2-NH1 2.79Å; E680-R808 PolarHBondContact OE2-NH1 3.26Å; E680-R808 VanDerWaalsContact OE2-NH1 3.13Å; L741-R808 PolarHBondContact O-N 3.39Å; R808-F810 HydrophobicContact CG-CB 4.07Å; R808-F810 HydrophobicContact CG-CD2 4.39Å; R808-Y851 HydrophobicContact CB-CE1 4.2Å; R808-Y851 HydrophobicContact CB-CE2 3.94Å; R808-Y851 WeakPolarHBondContact CB-OH 3.17Å; R808-Y851 HydrophobicContact CG-CD2 4.37Å; R808-Y851 HydrophobicContact CG-CE2 3.72Å; R808-A853 HydrophobicContact CG-CB 3.9Å |
| 809 | D | 84.8 | Confident | 79.4 | Confident | 118 Ų | 118 | 54.3 Ų | 54.3 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 105.6 | 165.4 | -169 | 11.3 | 0 | 0 | 0 | 108.7 | I807 Y851 S852 A853 | I807-D809 PolarHBondContact O-N 3.5Å; D809-Y851 PolarHBondContact N-O 3.24Å; D809-S852 WeakPolarHBondContact O-CA 3.31Å; D809-A853 PolarHBondContact O-N 3.05Å; D809-A853 VanDerWaalsContact O-N 3.09Å |
| 810 | F | 79.5 | Confident | 80.1 | Confident | 27.5 Ų | 27.5 | 53.7 Ų | 53.7 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.9 | -170.4 | -163 | -127.4 | 0 | 0 | 0 | 110.8 | R808 T812 I815 F823 A853 F855 V865 | R808-F810 HydrophobicContact CG-CB 4.07Å; R808-F810 HydrophobicContact CG-CD2 4.39Å; F810-T812 HydrophobicContact CD1-CG2 4.39Å; F810-T812 PolarHBondContact O-N 3.08Å; F810-T812 VanDerWaalsContact O-N 3.1Å; F810-I815 HydrophobicContact CD1-CD1 4.04Å; F810-I815 HydrophobicContact CD1-CG1 4.46Å; F810-I815 HydrophobicContact CE1-CD1 3.46Å; F810-I815 VanDerWaalsContact CE1-CD1 3.49Å; F810-I815 HydrophobicContact CE1-CG1 3.76Å; F810-I815 HydrophobicContact CZ-CD1 4.22Å; F810-I815 HydrophobicContact CZ-CG1 4.25Å; F810-F823 HydrophobicContact CD1-CB 4.4Å; F810-F823 HydrophobicContact CE1-CB 4.26Å; F810-F823 AromaticContact CE1-CD1 3.94Å; F810-F823 HydrophobicContact CE1-CD1 4.17Å; F810-F823 HydrophobicContact CE1-CD2 4.34Å; F810-F823 HydrophobicContact CE1-CE1 4.36Å; F810-F823 AromaticContact CE1-CG 3.87Å; F810-F823 HydrophobicContact CE1-CG 4.13Å; F810-A853 HydrophobicContact CD2-CB 4.03Å; F810-A853 VanDerWaalsContact CD2-O 3.27Å; F810-A853 WeakPolarHBondContact CD2-O 3.3Å; F810-A853 HydrophobicContact CE2-CB 4.37Å; F810-A853 WeakPolarHBondContact CE2-O 3.34Å; F810-F855 HydrophobicContact CE2-CB 4.42Å; F810-F855 HydrophobicContact CZ-CB 4.01Å; F810-V865 HydrophobicContact CE2-CG1 4.04Å; F810-V865 HydrophobicContact CE2-CG2 4.33Å; F810-V865 HydrophobicContact CZ-CG1 4.48Å; F810-V865 HydrophobicContact CZ-CG2 4Å |
| 811 | N | 75.1 | Confident | 80.7 | Confident | 93.5 Ų | 93.5 | 58.5 Ų | 58.5 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | trans | -75.8 | 100.9 | 176.1 | -173 | 22 | 0 | 0 | 0 | 110.2 | S813 D814 | N811-S813 VanDerWaalsContact CG-OG 3.23Å; N811-S813 PolarHBondContact ND2-OG 3.16Å; N811-S813 PolarHBondContact O-N 3.06Å; N811-S813 VanDerWaalsContact O-N 3.09Å; N811-S813 WeakPolarHBondContact OD1-CB 3.46Å; N811-S813 PolarHBondContact OD1-N 3.38Å; N811-S813 PolarHBondContact OD1-OG 2.9Å; N811-D814 PolarHBondContact ND2-OD1 3.13Å; N811-D814 PolarHBondContact ND2-OD2 3.22Å; N811-D814 PolarHBondContact O-N 3.27Å; N811-D814 VanDerWaalsContact O-N 3.16Å | ||
| 812 | T | 69.6 | Low | 81.2 | Confident | 48.5 Ų | 48.5 | 58.7 Ų | 58.7 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -68.1 | -7.3 | -175 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | F810 D814 I815 | F810-T812 HydrophobicContact CD1-CG2 4.39Å; F810-T812 PolarHBondContact O-N 3.08Å; F810-T812 VanDerWaalsContact O-N 3.1Å; T812-D814 VanDerWaalsContact C-N 3.25Å; T812-D814 PolarHBondContact O-N 3.08Å; T812-I815 HydrophobicContact CG2-CD1 4.19Å; T812-I815 PolarHBondContact O-N 3.49Å |
| 813 | S | 72.2 | Confident | 81.3 | Confident | 86.25 Ų | 86.25 | 54.8 Ų | 54.8 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.7 | -23.3 | 176.6 | 37 | 0 | 0 | 0 | 0 | 113.7 | N811 I815 | N811-S813 VanDerWaalsContact CG-OG 3.23Å; N811-S813 PolarHBondContact ND2-OG 3.16Å; N811-S813 PolarHBondContact O-N 3.06Å; N811-S813 VanDerWaalsContact O-N 3.09Å; N811-S813 WeakPolarHBondContact OD1-CB 3.46Å; N811-S813 PolarHBondContact OD1-N 3.38Å; N811-S813 PolarHBondContact OD1-OG 2.9Å; S813-I815 VanDerWaalsContact C-N 3.33Å |
| 814 | D | 72.2 | Confident | 81 | Confident | 91.75 Ų | 91.75 | 60.1 Ų | 60.1 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -90.1 | -3.3 | -170.5 | -54.7 | -18.8 | 0 | 0 | 0 | 112.1 | N811 T812 F855 | N811-D814 PolarHBondContact ND2-OD1 3.13Å; N811-D814 PolarHBondContact ND2-OD2 3.22Å; N811-D814 PolarHBondContact O-N 3.27Å; N811-D814 VanDerWaalsContact O-N 3.16Å; T812-D814 VanDerWaalsContact C-N 3.25Å; T812-D814 PolarHBondContact O-N 3.08Å; D814-F855 WeakPolarHBondContact O-CD1 3.31Å |
| 815 | I | 77.1 | Confident | 80.6 | Confident | 12.25 Ų | 12.25 | 60.7 Ų | 60.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -90.7 | 130.9 | -179.9 | -45.9 | 166 | 0 | 0 | 0 | 109.1 | F810 T812 S813 N817 F823 F855 | F810-I815 HydrophobicContact CD1-CD1 4.04Å; F810-I815 HydrophobicContact CD1-CG1 4.46Å; F810-I815 HydrophobicContact CE1-CD1 3.46Å; F810-I815 VanDerWaalsContact CE1-CD1 3.49Å; F810-I815 HydrophobicContact CE1-CG1 3.76Å; F810-I815 HydrophobicContact CZ-CD1 4.22Å; F810-I815 HydrophobicContact CZ-CG1 4.25Å; T812-I815 HydrophobicContact CG2-CD1 4.19Å; T812-I815 PolarHBondContact O-N 3.49Å; S813-I815 VanDerWaalsContact C-N 3.33Å; I815-N817 PolarHBondContact O-N 3.22Å; I815-F823 HydrophobicContact CD1-CB 4.04Å; I815-F823 HydrophobicContact CD1-CD2 3.9Å; I815-F823 HydrophobicContact CD1-CE2 4.49Å; I815-F823 HydrophobicContact CD1-CG 4.2Å; I815-F823 HydrophobicContact CG1-CD2 4.5Å; I815-F823 HydrophobicContact CG2-CD2 4.15Å; I815-F823 HydrophobicContact CG2-CE2 4.37Å; I815-F855 HydrophobicContact CG1-CB 4.27Å; I815-F855 HydrophobicContact CG1-CD2 4.48Å; I815-F855 HydrophobicContact CG1-CG 4.36Å; I815-F855 HydrophobicContact CG2-CD2 4.43Å; I815-F855 HydrophobicContact CG2-CE2 4.35Å |
| 816 | P | 78.1 | Confident | 80.1 | Confident | 55.5 Ų | 55.5 | 66.4 Ų | 66.4 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | trans | -58.2 | 136.9 | 169.4 | -19.4 | 30 | 0 | 0 | 0 | 111 | E818 Y819 G820 F855 | P816-E818 PolarHBondContact O-N 3.3Å; P816-Y819 HydrophobicContact CB-CD2 4.1Å; P816-Y819 HydrophobicContact CB-CE2 4.47Å; P816-Y819 HydrophobicContact CG-CD2 4.28Å; P816-Y819 PolarHBondContact O-N 3.26Å; P816-G820 PolarHBondContact O-N 3.14Å; P816-F855 VanDerWaalsContact CD-CE1 3.49Å; P816-F855 HydrophobicContact CG-CE1 4.03Å; P816-F855 HydrophobicContact CG-CZ 4.15Å | ||
| 817 | N | 77 | Confident | 79.7 | Confident | 160.25 Ų | 160.25 | 69.6 Ų | 69.6 | 86% | 0.857 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -50.7 | -31.2 | -174.2 | -71 | -25.6 | 0 | 0 | 0 | 114.1 | I815 Y819 G820 | I815-N817 PolarHBondContact O-N 3.22Å; N817-Y819 VanDerWaalsContact C-N 3.27Å; N817-Y819 PolarHBondContact O-N 3.28Å; N817-G820 PolarHBondContact O-N 3Å |
| 818 | E | 78.4 | Confident | 79.6 | Confident | 158 Ų | 158 | 72.8 Ų | 72.8 | 74% | 0.738 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -58.2 | -35.3 | 177.2 | -60.9 | 172.2 | -164.2 | 0 | 0 | 113 | P816 | P816-E818 PolarHBondContact O-N 3.3Š|
| 819 | Y | 80.6 | Confident | 79.5 | Confident | 46.25 Ų | 46.25 | 76 Ų | 76 | 18% | 0.181 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -101.5 | -3.4 | -177.8 | -55.8 | -80.3 | 0 | 0 | 0 | 113.2 | P816 N817 Q821 I822 V858 P863 | P816-Y819 HydrophobicContact CB-CD2 4.1Å; P816-Y819 HydrophobicContact CB-CE2 4.47Å; P816-Y819 HydrophobicContact CG-CD2 4.28Å; P816-Y819 PolarHBondContact O-N 3.26Å; N817-Y819 VanDerWaalsContact C-N 3.27Å; N817-Y819 PolarHBondContact O-N 3.28Å; Y819-Q821 VanDerWaalsContact C-N 3.27Å; Y819-Q821 PolarHBondContact O-N 3.19Å; Y819-I822 HydrophobicContact CD1-CD1 3.89Å; Y819-I822 VanDerWaalsContact O-CB 3.29Å; Y819-I822 WeakPolarHBondContact O-CB 3.29Å; Y819-I822 PolarHBondContact O-N 3.17Å; Y819-V858 HydrophobicContact CD2-CG2 4.3Å; Y819-V858 HydrophobicContact CE1-CG1 4.35Å; Y819-V858 HydrophobicContact CE1-CG2 4.37Å; Y819-V858 HydrophobicContact CE2-CG2 3.75Å; Y819-P863 HydrophobicContact CD1-CB 4.07Å; Y819-P863 HydrophobicContact CD1-CG 4.02Å; Y819-P863 HydrophobicContact CG-CB 4.18Å; Y819-P863 HydrophobicContact CG-CG 4.42Å |
| 820 | G | 75.4 | Confident | 79.7 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57 | -36.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | P816 N817 I822 F823 R824 | P816-G820 PolarHBondContact O-N 3.14Å; N817-G820 PolarHBondContact O-N 3Å; G820-I822 PolarHBondContact O-N 2.99Å; G820-F823 PolarHBondContact O-N 3.24Å; G820-R824 PolarHBondContact O-N 3.05Å; G820-R824 VanDerWaalsContact O-N 3.13Å |
| 821 | Q | 77.7 | Confident | 80.1 | Confident | 137.25 Ų | 137.25 | 72.7 Ų | 72.7 | 64% | 0.641 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66 | -18.8 | 178.7 | -39 | -176.6 | -2.4 | 0 | 0 | 114 | K744 Y819 H826 | K744-Q821 PolarHBondContact NZ-O 3.12Å; K744-Q821 VanDerWaalsContact NZ-O 3.1Å; Y819-Q821 VanDerWaalsContact C-N 3.27Å; Y819-Q821 PolarHBondContact O-N 3.19Å; Q821-H826 WeakPolarHBondContact CA-NE2 3.5Å |
| 822 | I | 80.9 | Confident | 80.8 | Confident | 38.75 Ų | 38.75 | 74.6 Ų | 74.6 | 20% | 0.199 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72.9 | -45.4 | 178.1 | -65.5 | 170.5 | 0 | 0 | 0 | 109.4 | M675 D676 K744 Y819 G820 P863 | M675-I822 HydrophobicContact CB-CG2 4.14Å; M675-I822 WeakPolarHBondContact O-CG2 3.4Å; D676-I822 WeakPolarHBondContact CB-O 3.48Å; K744-I822 WeakPolarHBondContact CD-O 3.38Å; K744-I822 PolarHBondContact NZ-O 2.84Å; Y819-I822 HydrophobicContact CD1-CD1 3.89Å; Y819-I822 VanDerWaalsContact O-CB 3.29Å; Y819-I822 WeakPolarHBondContact O-CB 3.29Å; Y819-I822 PolarHBondContact O-N 3.17Å; G820-I822 PolarHBondContact O-N 2.99Å; I822-P863 HydrophobicContact CD1-CG 3.8Å; I822-P863 HydrophobicContact CG2-CG 4.35Å |
| 823 | F | 83.3 | Confident | 81.9 | Confident | 1.5 Ų | 1.5 | 75 Ų | 75 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -94 | -19.8 | -170.8 | -62.7 | -75.1 | 0 | 0 | 0 | 115.2 | D676 A743 F810 I815 G820 P863 V865 | D676-F823 HydrophobicContact CB-CD1 4.13Å; D676-F823 WeakPolarHBondContact OD1-CA 3.45Å; A743-F823 CarbonylContact C-O 3.58Å; A743-F823 WeakPolarHBondContact CB-O 3.24Å; F810-F823 HydrophobicContact CD1-CB 4.4Å; F810-F823 HydrophobicContact CE1-CB 4.26Å; F810-F823 AromaticContact CE1-CD1 3.94Å; F810-F823 HydrophobicContact CE1-CD1 4.17Å; F810-F823 HydrophobicContact CE1-CD2 4.34Å; F810-F823 HydrophobicContact CE1-CE1 4.36Å; F810-F823 AromaticContact CE1-CG 3.87Å; F810-F823 HydrophobicContact CE1-CG 4.13Å; I815-F823 HydrophobicContact CD1-CB 4.04Å; I815-F823 HydrophobicContact CD1-CD2 3.9Å; I815-F823 HydrophobicContact CD1-CE2 4.49Å; I815-F823 HydrophobicContact CD1-CG 4.2Å; I815-F823 HydrophobicContact CG1-CD2 4.5Å; I815-F823 HydrophobicContact CG2-CD2 4.15Å; I815-F823 HydrophobicContact CG2-CE2 4.37Å; G820-F823 PolarHBondContact O-N 3.24Å; F823-P863 HydrophobicContact CE2-CB 3.69Å; F823-P863 HydrophobicContact CE2-CG 3.71Å; F823-P863 HydrophobicContact CZ-CB 3.83Å; F823-P863 HydrophobicContact CZ-CG 3.76Å; F823-V865 HydrophobicContact CD1-CG2 4.48Å; F823-V865 HydrophobicContact CE1-CG2 3.61Å; F823-V865 HydrophobicContact CZ-CG2 3.82Å |
| 824 | R | 81.7 | Confident | 82.7 | Confident | 115.25 Ų | 115.25 | 71 Ų | 71 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -128.9 | 138.3 | -174.7 | -178.4 | 172.2 | 178.4 | 168 | 2.1 | 111.9 | A743 G820 | A743-R824 HydrophobicContact CB-CB 4.4Å; A743-R824 HydrophobicContact CB-CG 4.3Å; G820-R824 PolarHBondContact O-N 3.05Å; G820-R824 VanDerWaalsContact O-N 3.13Å |
| 825 | D | 82.5 | Confident | 83.6 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 10% | 0.096 | 36% | 0.363 | C | S | . | . | trans | -75.5 | 139.8 | 168.7 | -134.1 | -59.4 | 0 | 0 | 0 | 111.3 | A743 Y745 D827 N830 L831 | A743-D825 PolarHBondContact O-N 3.15Å; A743-D825 VanDerWaalsContact O-N 3.17Å; Y745-D825 PolarHBondContact N-OD2 3.24Å; Y745-D825 VanDerWaalsContact N-OD2 3.12Å; D825-D827 PolarHBondContact OD1-N 3.15Å; D825-N830 HydrophobicContact CB-CB 4.37Å; D825-N830 WeakPolarHBondContact OD1-CB 3.43Å; D825-N830 PolarHBondContact OD1-ND2 3.26Å; D825-N830 VanDerWaalsContact OD1-ND2 3.14Å; D825-N830 PolarHBondContact OD2-ND2 2.91Å; D825-L831 HydrophobicContact CB-CD2 3.99Å; D825-L831 HydrophobicContact CB-CG 4.29Å | ||
| 826 | H | 81 | Confident | 84.3 | Confident | 121.75 Ų | 121.75 | 72.9 Ų | 72.9 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | trans | -106.7 | -13.6 | 179 | -67.6 | -64.1 | 0 | 0 | 0 | 112.8 | Q821 P828 | Q821-H826 WeakPolarHBondContact CA-NE2 3.5Å; H826-P828 WeakPolarHBondContact O-CD 3.39Å | ||
| 827 | D | 86.3 | Confident | 85 | Confident | 69.5 Ų | 69.5 | 70.4 Ų | 70.4 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | trans | -77.7 | 119.5 | 176 | -172.2 | -18.6 | 0 | 0 | 0 | 109.7 | D825 V829 N830 L831 | D825-D827 PolarHBondContact OD1-N 3.15Å; D827-V829 PolarHBondContact O-N 3.15Å; D827-V829 VanDerWaalsContact OD1-CB 3.28Å; D827-V829 WeakPolarHBondContact OD1-CB 3.37Å; D827-V829 WeakPolarHBondContact OD1-CG2 3.38Å; D827-V829 PolarHBondContact OD1-N 3.16Å; D827-N830 HydrophobicContact CB-CB 4.07Å; D827-N830 PolarHBondContact O-N 3.22Å; D827-N830 VanDerWaalsContact O-N 3.17Å; D827-L831 WeakPolarHBondContact O-CG 3.38Å; D827-L831 PolarHBondContact O-N 2.83Å | ||
| 828 | P | 87.4 | Confident | 85.6 | Confident | 98.5 Ų | 98.5 | 65 Ų | 65 | 64% | 0.64 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.5 | -26.7 | 177.2 | 25.9 | -35.6 | 0 | 0 | 0 | 113.1 | H826 H832 | H826-P828 WeakPolarHBondContact O-CD 3.39Å; P828-H832 WeakPolarHBondContact O-CB 3.37Å; P828-H832 PolarHBondContact O-N 3.18Å; P828-H832 VanDerWaalsContact O-N 3.09Å |
| 829 | V | 88.9 | Confident | 86.2 | Confident | 79.75 Ų | 79.75 | 63 Ų | 63 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -50.5 | 176 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | D827 L831 H832 H833 | D827-V829 PolarHBondContact O-N 3.15Å; D827-V829 VanDerWaalsContact OD1-CB 3.28Å; D827-V829 WeakPolarHBondContact OD1-CB 3.37Å; D827-V829 WeakPolarHBondContact OD1-CG2 3.38Å; D827-V829 PolarHBondContact OD1-N 3.16Å; V829-L831 VanDerWaalsContact C-N 3.33Å; V829-L831 PolarHBondContact O-N 3.3Å; V829-H832 WeakPolarHBondContact O-CB 3.46Å; V829-H832 PolarHBondContact O-N 3.16Å; V829-H832 VanDerWaalsContact O-N 3.14Å; V829-H833 PolarHBondContact O-CD2 2.93Å; V829-H833 VanDerWaalsContact O-CD2 3.25Å; V829-H833 PolarHBondContact O-N 2.98Å |
| 830 | N | 89 | Confident | 86.7 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 177.5 | -69.3 | -16 | 0 | 0 | 0 | 112.4 | Y745 D825 D827 H833 L834 | Y745-N830 HydrophobicContact CD1-CB 4.15Å; Y745-N830 HydrophobicContact CG-CB 4.43Å; D825-N830 HydrophobicContact CB-CB 4.37Å; D825-N830 WeakPolarHBondContact OD1-CB 3.43Å; D825-N830 PolarHBondContact OD1-ND2 3.26Å; D825-N830 VanDerWaalsContact OD1-ND2 3.14Å; D825-N830 PolarHBondContact OD2-ND2 2.91Å; D827-N830 HydrophobicContact CB-CB 4.07Å; D827-N830 PolarHBondContact O-N 3.22Å; D827-N830 VanDerWaalsContact O-N 3.17Å; N830-H833 PolarHBondContact O-N 2.87Å; N830-L834 VanDerWaalsContact O-CB 3.32Å; N830-L834 WeakPolarHBondContact O-CB 3.32Å; N830-L834 PolarHBondContact O-N 2.98Å |
| 831 | L | 87.7 | Confident | 87.3 | Confident | 47.75 Ų | 47.75 | 62.1 Ų | 62.1 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.1 | -71.1 | 172.8 | 0 | 0 | 0 | 111.5 | D825 D827 V829 H833 L834 D835 | D825-L831 HydrophobicContact CB-CD2 3.99Å; D825-L831 HydrophobicContact CB-CG 4.29Å; D827-L831 WeakPolarHBondContact O-CG 3.38Å; D827-L831 PolarHBondContact O-N 2.83Å; V829-L831 VanDerWaalsContact C-N 3.33Å; V829-L831 PolarHBondContact O-N 3.3Å; L831-H833 VanDerWaalsContact C-N 3.35Å; L831-H833 PolarHBondContact O-N 3.36Å; L831-L834 PolarHBondContact O-N 3Å; L831-D835 PolarHBondContact O-N 3.02Å |
| 832 | H | 90.3 | Very high | 87.8 | Confident | 133.5 Ų | 133.5 | 60.5 Ų | 60.5 | 62% | 0.618 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 175 | -178.3 | -81.8 | 0 | 0 | 0 | 112.1 | P828 V829 D835 A836 | P828-H832 WeakPolarHBondContact O-CB 3.37Å; P828-H832 PolarHBondContact O-N 3.18Å; P828-H832 VanDerWaalsContact O-N 3.09Å; V829-H832 WeakPolarHBondContact O-CB 3.46Å; V829-H832 PolarHBondContact O-N 3.16Å; V829-H832 VanDerWaalsContact O-N 3.14Å; H832-D835 PolarHBondContact O-N 2.97Å; H832-A836 VanDerWaalsContact O-CB 3.32Å; H832-A836 WeakPolarHBondContact O-CB 3.42Å; H832-A836 PolarHBondContact O-N 3.03Å |
| 833 | H | 91.5 | Very high | 88.1 | Confident | 55.25 Ų | 55.25 | 65 Ų | 65 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.7 | -78.2 | -94.9 | 0 | 0 | 0 | 112.3 | Y745 G772 V829 N830 L831 D835 A836 F837 | Y745-H833 HydrophobicContact CD1-CB 4.1Å; Y745-H833 HydrophobicContact CD2-CB 4.31Å; Y745-H833 HydrophobicContact CE1-CB 3.62Å; Y745-H833 AromaticContact CE1-ND1 3.88Å; Y745-H833 HydrophobicContact CE2-CB 3.86Å; Y745-H833 HydrophobicContact CG-CB 4.43Å; Y745-H833 VanDerWaalsContact CZ-CB 3.49Å; G772-H833 PolarHBondContact O-CE1 3.38Å; G772-H833 PolarHBondContact O-ND1 3.48Å; V829-H833 PolarHBondContact O-CD2 2.93Å; V829-H833 VanDerWaalsContact O-CD2 3.25Å; V829-H833 PolarHBondContact O-N 2.98Å; N830-H833 PolarHBondContact O-N 2.87Å; L831-H833 VanDerWaalsContact C-N 3.35Å; L831-H833 PolarHBondContact O-N 3.36Å; H833-D835 PolarHBondContact O-N 3.17Å; H833-A836 PolarHBondContact O-N 3.23Å; H833-F837 WeakPolarHBondContact O-CB 3.25Å; H833-F837 PolarHBondContact O-N 2.97Å |
| 834 | L | 90.3 | Very high | 88.1 | Confident | 3.25 Ų | 3.25 | 66.9 Ų | 66.9 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.7 | 179 | 60.6 | 0 | 0 | 0 | 111.8 | L741 Y745 N830 L831 F837 K838 | L741-L834 HydrophobicContact CD2-CD1 4.43Å; Y745-L834 HydrophobicContact CD2-CB 3.83Å; Y745-L834 HydrophobicContact CD2-CD1 4.21Å; Y745-L834 HydrophobicContact CG-CB 4.31Å; N830-L834 VanDerWaalsContact O-CB 3.32Å; N830-L834 WeakPolarHBondContact O-CB 3.32Å; N830-L834 PolarHBondContact O-N 2.98Å; L831-L834 PolarHBondContact O-N 3Å; L834-F837 PolarHBondContact O-N 3.17Å; L834-K838 HydrophobicContact CD1-CD 4.49Å; L834-K838 HydrophobicContact CG-CD 4.38Å; L834-K838 WeakPolarHBondContact O-CB 3.26Å; L834-K838 WeakPolarHBondContact O-CG 3.33Å; L834-K838 PolarHBondContact O-N 3.27Å |
| 835 | D | 89.8 | Confident | 88.1 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.8 | -74.9 | -20.1 | 0 | 0 | 0 | 111.3 | L831 H832 H833 F837 K838 Q839 | L831-D835 PolarHBondContact O-N 3.02Å; H832-D835 PolarHBondContact O-N 2.97Å; H833-D835 PolarHBondContact O-N 3.17Å; D835-F837 VanDerWaalsContact C-N 3.32Å; D835-F837 PolarHBondContact O-N 3.12Å; D835-K838 PolarHBondContact O-N 3.39Å; D835-Q839 VanDerWaalsContact O-CG 3.31Å; D835-Q839 WeakPolarHBondContact O-CG 3.4Å; D835-Q839 PolarHBondContact O-N 3.11Å |
| 836 | A | 91.6 | Very high | 88.2 | Confident | 48.25 Ų | 48.25 | 63.5 Ų | 63.5 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H832 H833 Q839 L840 | H832-A836 VanDerWaalsContact O-CB 3.32Å; H832-A836 WeakPolarHBondContact O-CB 3.42Å; H832-A836 PolarHBondContact O-N 3.03Å; H833-A836 PolarHBondContact O-N 3.23Å; A836-Q839 PolarHBondContact O-N 3.28Å; A836-L840 WeakPolarHBondContact O-CB 3.4Å; A836-L840 PolarHBondContact O-N 3.05Å |
| 837 | F | 92.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 176.6 | -176.8 | -138.8 | 0 | 0 | 0 | 111.6 | L739 L741 Y745 E777 Y780 H833 L834 D835 Q839 L840 L841 | L739-F837 HydrophobicContact CD2-CE1 3.94Å; L739-F837 HydrophobicContact CD2-CZ 3.78Å; L741-F837 HydrophobicContact CD1-CD1 4.37Å; L741-F837 HydrophobicContact CD1-CE1 4.2Å; L741-F837 HydrophobicContact CD2-CD1 4.44Å; L741-F837 HydrophobicContact CD2-CE1 4.11Å; Y745-F837 HydrophobicContact CE2-CB 4.4Å; E777-F837 HydrophobicContact CB-CD1 4.38Å; E777-F837 HydrophobicContact CB-CD2 4.23Å; E777-F837 HydrophobicContact CB-CE1 4.22Å; E777-F837 HydrophobicContact CB-CE2 4.09Å; E777-F837 HydrophobicContact CB-CG 4.39Å; E777-F837 HydrophobicContact CB-CZ 4.09Å; E777-F837 HydrophobicContact CG-CD2 3.79Å; E777-F837 HydrophobicContact CG-CE2 3.84Å; E777-F837 HydrophobicContact CG-CG 4.3Å; E777-F837 HydrophobicContact CG-CZ 4.35Å; Y780-F837 AromaticContact CD1-CE2 3.86Å; Y780-F837 HydrophobicContact CD1-CE2 3.86Å; Y780-F837 HydrophobicContact CD1-CZ 4.38Å; Y780-F837 HydrophobicContact CG-CE2 4.13Å; Y780-F837 HydrophobicContact CG-CZ 4.18Å; H833-F837 WeakPolarHBondContact O-CB 3.25Å; H833-F837 PolarHBondContact O-N 2.97Å; L834-F837 PolarHBondContact O-N 3.17Å; D835-F837 VanDerWaalsContact C-N 3.32Å; D835-F837 PolarHBondContact O-N 3.12Å; F837-Q839 VanDerWaalsContact C-N 3.31Å; F837-Q839 PolarHBondContact O-N 2.99Å; F837-L840 WeakPolarHBondContact O-CB 3.32Å; F837-L840 PolarHBondContact O-N 3.3Å; F837-L840 VanDerWaalsContact O-N 3.11Å; F837-L841 HydrophobicContact CD1-CD1 4.4Å; F837-L841 HydrophobicContact CD2-CD1 4.4Å; F837-L841 HydrophobicContact CD2-CG 4.27Å; F837-L841 HydrophobicContact CE1-CD1 4.15Å; F837-L841 HydrophobicContact CE2-CD1 4.18Å; F837-L841 HydrophobicContact CE2-CD2 3.96Å; F837-L841 HydrophobicContact CE2-CG 4.01Å; F837-L841 HydrophobicContact CG-CD1 4.48Å; F837-L841 HydrophobicContact CZ-CD1 4.03Å; F837-L841 HydrophobicContact CZ-CD2 4.19Å; F837-L841 HydrophobicContact CZ-CG 4.31Å; F837-L841 WeakPolarHBondContact O-CG 3.28Å; F837-L841 PolarHBondContact O-N 3.03Å |
| 838 | K | 90.4 | Very high | 88.5 | Confident | 47.5 Ų | 47.5 | 59.2 Ų | 59.2 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 172.1 | -74.4 | 173 | -179.6 | 174.9 | 0 | 111.9 | L741 G742 L834 D835 L841 L842 | L741-K838 HydrophobicContact CD1-CG 4.47Å; G742-K838 PolarHBondContact O-NZ 3.19Å; G742-K838 VanDerWaalsContact O-NZ 3.15Å; L834-K838 HydrophobicContact CD1-CD 4.49Å; L834-K838 HydrophobicContact CG-CD 4.38Å; L834-K838 WeakPolarHBondContact O-CB 3.26Å; L834-K838 WeakPolarHBondContact O-CG 3.33Å; L834-K838 PolarHBondContact O-N 3.27Å; D835-K838 PolarHBondContact O-N 3.39Å; K838-L841 PolarHBondContact O-N 3.14Å; K838-L842 WeakPolarHBondContact O-CG 3.37Å; K838-L842 PolarHBondContact O-N 3.18Å; K838-L842 VanDerWaalsContact O-N 3.17Å |
| 839 | Q | 90.6 | Very high | 88.6 | Confident | 115.5 Ų | 115.5 | 56.8 Ų | 56.8 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 173.6 | -68.1 | -82.3 | -18.9 | 0 | 0 | 112.6 | D835 A836 F837 L841 L842 N843 | D835-Q839 VanDerWaalsContact O-CG 3.31Å; D835-Q839 WeakPolarHBondContact O-CG 3.4Å; D835-Q839 PolarHBondContact O-N 3.11Å; A836-Q839 PolarHBondContact O-N 3.28Å; F837-Q839 VanDerWaalsContact C-N 3.31Å; F837-Q839 PolarHBondContact O-N 2.99Å; Q839-L841 PolarHBondContact O-N 2.94Å; Q839-L842 WeakPolarHBondContact O-CB 3.43Å; Q839-L842 PolarHBondContact O-N 3.21Å; Q839-N843 WeakPolarHBondContact O-CB 3.3Å; Q839-N843 VanDerWaalsContact O-CG 3.25Å; Q839-N843 PolarHBondContact O-N 3.25Å; Q839-N843 PolarHBondContact O-ND2 3.21Å |
| 840 | L | 90.6 | Very high | 88.7 | Confident | 45.25 Ų | 45.25 | 56.8 Ų | 56.8 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.2 | -174.6 | 153.2 | 0 | 0 | 0 | 111.6 | Y780 A836 F837 L842 N843 D844 | Y780-L840 HydrophobicContact CD1-CD2 4.28Å; Y780-L840 HydrophobicContact CE1-CD2 3.6Å; A836-L840 WeakPolarHBondContact O-CB 3.4Å; A836-L840 PolarHBondContact O-N 3.05Å; F837-L840 WeakPolarHBondContact O-CB 3.32Å; F837-L840 PolarHBondContact O-N 3.3Å; F837-L840 VanDerWaalsContact O-N 3.11Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L840-L842 PolarHBondContact O-N 3.07Å; L840-N843 PolarHBondContact O-N 3.18Å; L840-N843 VanDerWaalsContact O-N 3.15Å; L840-D844 WeakPolarHBondContact CD2-OD2 3.3Å; L840-D844 PolarHBondContact O-N 3.15Å |
| 841 | L | 89.3 | Confident | 88.8 | Confident | 0.25 Ų | 0.25 | 55.5 Ų | 55.5 | 0% | 0.001 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 178.2 | -65.5 | 170 | 0 | 0 | 0 | 112.3 | L739 L741 Y780 V805 F837 K838 Q839 G845 V846 I848 | L739-L841 HydrophobicContact CD2-CD1 3.92Å; L739-L841 HydrophobicContact CD2-CD2 4.36Å; L741-L841 HydrophobicContact CD1-CD1 3.48Å; L741-L841 VanDerWaalsContact CD1-CD1 3.46Å; Y780-L841 HydrophobicContact CD1-CD2 4.11Å; Y780-L841 HydrophobicContact CD2-CD2 3.78Å; Y780-L841 HydrophobicContact CE1-CD2 3.79Å; Y780-L841 HydrophobicContact CE2-CD2 3.44Å; Y780-L841 VanDerWaalsContact CE2-CD2 3.46Å; Y780-L841 HydrophobicContact CG-CD2 4.1Å; Y780-L841 VanDerWaalsContact CZ-CD2 3.43Å; V805-L841 HydrophobicContact CG1-CD1 4.07Å; V805-L841 HydrophobicContact CG2-CD1 4.26Å; V805-L841 HydrophobicContact CG2-CD2 4.18Å; F837-L841 HydrophobicContact CD1-CD1 4.4Å; F837-L841 HydrophobicContact CD2-CD1 4.4Å; F837-L841 HydrophobicContact CD2-CG 4.27Å; F837-L841 HydrophobicContact CE1-CD1 4.15Å; F837-L841 HydrophobicContact CE2-CD1 4.18Å; F837-L841 HydrophobicContact CE2-CD2 3.96Å; F837-L841 HydrophobicContact CE2-CG 4.01Å; F837-L841 HydrophobicContact CG-CD1 4.48Å; F837-L841 HydrophobicContact CZ-CD1 4.03Å; F837-L841 HydrophobicContact CZ-CD2 4.19Å; F837-L841 HydrophobicContact CZ-CG 4.31Å; F837-L841 WeakPolarHBondContact O-CG 3.28Å; F837-L841 PolarHBondContact O-N 3.03Å; K838-L841 PolarHBondContact O-N 3.14Å; Q839-L841 PolarHBondContact O-N 2.94Å; L841-G845 PolarHBondContact O-N 3.43Å; L841-V846 PolarHBondContact O-N 3.35Å; L841-I848 HydrophobicContact CB-CD1 4.08Å |
| 842 | L | 87.1 | Confident | 88.8 | Confident | 103.25 Ų | 103.25 | 55.9 Ų | 55.9 | 54% | 0.541 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 172.8 | -74.1 | 164.4 | 0 | 0 | 0 | 111.6 | K838 Q839 L840 D844 G845 I848 | K838-L842 WeakPolarHBondContact O-CG 3.37Å; K838-L842 PolarHBondContact O-N 3.18Å; K838-L842 VanDerWaalsContact O-N 3.17Å; Q839-L842 WeakPolarHBondContact O-CB 3.43Å; Q839-L842 PolarHBondContact O-N 3.21Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L840-L842 PolarHBondContact O-N 3.07Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 3.3Å; L842-G845 PolarHBondContact O-N 3.33Å; L842-I848 HydrophobicContact CB-CD1 4.44Å; L842-I848 HydrophobicContact CD2-CD1 3.62Å; L842-I848 HydrophobicContact CG-CD1 3.81Å |
| 843 | N | 87.5 | Confident | 88.6 | Confident | 134 Ų | 134 | 49.9 Ų | 49.9 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.8 | -30.7 | -179.6 | -70.6 | -30.4 | 0 | 0 | 0 | 113.4 | Q839 L840 G845 | Q839-N843 WeakPolarHBondContact O-CB 3.3Å; Q839-N843 VanDerWaalsContact O-CG 3.25Å; Q839-N843 PolarHBondContact O-N 3.25Å; Q839-N843 PolarHBondContact O-ND2 3.21Å; L840-N843 PolarHBondContact O-N 3.18Å; L840-N843 VanDerWaalsContact O-N 3.15Å; N843-G845 VanDerWaalsContact C-N 3.26Å; N843-G845 PolarHBondContact O-N 3.04Å |
| 844 | D | 84.6 | Confident | 88.3 | Confident | 40.5 Ų | 40.5 | 52.7 Ų | 52.7 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.8 | 176.9 | -83.5 | -15.8 | 0 | 0 | 0 | 113.6 | Y780 K784 L840 L842 V846 | Y780-D844 WeakPolarHBondContact CE1-OD2 3.48Å; Y780-D844 VanDerWaalsContact OH-CB 3.3Å; Y780-D844 WeakPolarHBondContact OH-CB 3.36Å; Y780-D844 PolarHBondContact OH-OD2 3.06Å; K784-D844 WeakPolarHBondContact CE-OD2 3.34Å; K784-D844 IonicContact NZ-OD1 3.55Å; K784-D844 PolarHBondContact NZ-OD1 3Å; K784-D844 IonicContact NZ-OD2 3.22Å; K784-D844 PolarHBondContact NZ-OD2 3.23Å; L840-D844 WeakPolarHBondContact CD2-OD2 3.3Å; L840-D844 PolarHBondContact O-N 3.15Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 3.3Å; D844-V846 VanDerWaalsContact C-N 3.31Å; D844-V846 HydrophobicContact CB-CG2 4.03Å; D844-V846 PolarHBondContact O-N 3.28Å |
| 845 | G | 80.3 | Confident | 88.1 | Confident | 51.25 Ų | 51.25 | 54.4 Ų | 54.4 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 24.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P800 L841 L842 N843 | P800-G845 WeakPolarHBondContact CB-O 3.41Å; L841-G845 PolarHBondContact O-N 3.43Å; L842-G845 PolarHBondContact O-N 3.33Å; N843-G845 VanDerWaalsContact C-N 3.26Å; N843-G845 PolarHBondContact O-N 3.04Å |
| 846 | V | 84.6 | Confident | 87.8 | Confident | 10.75 Ų | 10.75 | 55.7 Ų | 55.7 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | trans | -72.4 | 149.2 | 177 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | Y780 M803 V805 L841 D844 I848 | Y780-V846 HydrophobicContact CE2-CG2 4.19Å; Y780-V846 VanDerWaalsContact OH-CG2 3.27Å; Y780-V846 WeakPolarHBondContact OH-CG2 3.42Å; M803-V846 HydrophobicContact CB-CG1 3.65Å; M803-V846 HydrophobicContact CB-CG2 4.43Å; M803-V846 VanDerWaalsContact O-CG1 3.25Å; M803-V846 WeakPolarHBondContact O-CG1 3.3Å; M803-V846 HydrophobicContact SD-CG2 4.42Å; V805-V846 HydrophobicContact CG2-CB 4.49Å; V805-V846 HydrophobicContact CG2-CG1 3.82Å; L841-V846 PolarHBondContact O-N 3.35Å; D844-V846 VanDerWaalsContact C-N 3.31Å; D844-V846 HydrophobicContact CB-CG2 4.03Å; D844-V846 PolarHBondContact O-N 3.28Å; V846-I848 PolarHBondContact O-N 3.13Å; V846-I848 VanDerWaalsContact O-N 3.1Å | ||
| 847 | S | 85.3 | Confident | 87.3 | Confident | 52.75 Ų | 52.75 | 54.5 Ų | 54.5 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 103.4 | 175.1 | -48.5 | 0 | 0 | 0 | 0 | 111 | M803 F804 V805 | M803-S847 PolarHBondContact O-OG 3.19Å; F804-S847 WeakPolarHBondContact CD1-OG 3.34Å; F804-S847 VanDerWaalsContact CE1-OG 3.28Å; F804-S847 WeakPolarHBondContact CE1-OG 3.31Å; V805-S847 PolarHBondContact N-O 3.24Å |
| 848 | I | 88.3 | Confident | 86.7 | Confident | 47.75 Ų | 47.75 | 57.1 Ų | 57.1 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.9 | 176.9 | -63.6 | 163.4 | 0 | 0 | 0 | 109.6 | V805 I807 L841 L842 V846 | V805-I848 HydrophobicContact CB-CG1 3.98Å; V805-I848 HydrophobicContact CG1-CG1 4.36Å; V805-I848 HydrophobicContact CG2-CG1 4.38Å; V805-I848 CarbonylContact O-C 3.57Å; V805-I848 WeakPolarHBondContact O-CA 3.36Å; I807-I848 HydrophobicContact CD1-CG2 3.52Å; I807-I848 VanDerWaalsContact CD1-CG2 3.47Å; I807-I848 HydrophobicContact CG1-CG2 3.97Å; L841-I848 HydrophobicContact CB-CD1 4.08Å; L842-I848 HydrophobicContact CB-CD1 4.44Å; L842-I848 HydrophobicContact CD2-CD1 3.62Å; L842-I848 HydrophobicContact CG-CD1 3.81Å; V846-I848 PolarHBondContact O-N 3.13Å; V846-I848 VanDerWaalsContact O-N 3.1Å |
| 849 | L | 91 | Very high | 85.8 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119 | -178.3 | -68.1 | 169 | 0 | 0 | 0 | 109.5 | V805 F806 I807 Q874 T878 | V805-L849 PolarHBondContact O-N 3.08Å; F806-L849 CarbonylContact C-O 3.55Å; F806-L849 VanDerWaalsContact CA-O 3.28Å; F806-L849 WeakPolarHBondContact CA-O 3.4Å; F806-L849 HydrophobicContact CD1-CB 3.89Å; F806-L849 HydrophobicContact CD1-CD1 4.25Å; F806-L849 HydrophobicContact CE1-CB 4.02Å; F806-L849 HydrophobicContact CE1-CD1 3.52Å; F806-L849 VanDerWaalsContact CE1-CD1 3.48Å; F806-L849 HydrophobicContact CE1-CG 4.42Å; F806-L849 HydrophobicContact CZ-CD1 3.84Å; I807-L849 PolarHBondContact N-O 3.19Å; L849-Q874 HydrophobicContact CD1-CB 4.37Å; L849-T878 HydrophobicContact CD1-CG2 4.34Å; L849-T878 VanDerWaalsContact CD1-OG1 3.25Å; L849-T878 WeakPolarHBondContact CD1-OG1 3.41Å |
| 850 | S | 90.2 | Very high | 84.8 | Confident | 79.75 Ų | 79.75 | 61.3 Ų | 61.3 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.8 | 178.7 | -1.7 | 0 | 0 | 0 | 0 | 111.6 | I807 Q874 | I807-S850 VanDerWaalsContact O-CA 3.28Å; I807-S850 WeakPolarHBondContact O-CA 3.36Å; S850-Q874 PolarHBondContact O-NE2 3.19Å |
| 851 | Y | 91.8 | Very high | 83.9 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.5 | 176.5 | 65.1 | -83.2 | 0 | 0 | 0 | 110.9 | M677 E680 F806 I807 R808 D809 A853 L868 F871 | M677-Y851 VanDerWaalsContact CE-OH 3.31Å; M677-Y851 WeakPolarHBondContact CE-OH 3.43Å; E680-Y851 HydrophobicContact CG-CE2 4.31Å; E680-Y851 WeakPolarHBondContact CG-OH 3.29Å; E680-Y851 PolarHBondContact OE1-OH 3.05Å; F806-Y851 HydrophobicContact CB-CD1 4.33Å; F806-Y851 HydrophobicContact CB-CE1 3.89Å; I807-Y851 WeakPolarHBondContact O-CD1 3.38Å; I807-Y851 PolarHBondContact O-N 3.06Å; I807-Y851 VanDerWaalsContact O-N 3.1Å; R808-Y851 HydrophobicContact CB-CE1 4.2Å; R808-Y851 HydrophobicContact CB-CE2 3.94Å; R808-Y851 WeakPolarHBondContact CB-OH 3.17Å; R808-Y851 HydrophobicContact CG-CD2 4.37Å; R808-Y851 HydrophobicContact CG-CE2 3.72Å; D809-Y851 PolarHBondContact N-O 3.24Å; Y851-A853 HydrophobicContact CE2-CB 4.43Å; Y851-L868 HydrophobicContact CD2-CD2 4.17Å; Y851-L868 HydrophobicContact CE2-CD2 3.77Å; Y851-F871 HydrophobicContact CD1-CB 4.21Å; Y851-F871 AromaticContact CD1-CD2 3.75Å; Y851-F871 HydrophobicContact CD1-CD2 3.75Å; Y851-F871 HydrophobicContact CD1-CG 4.37Å; Y851-F871 HydrophobicContact CD2-CB 3.63Å; Y851-F871 HydrophobicContact CD2-CD2 4.4Å; Y851-F871 HydrophobicContact CD2-CG 4.26Å; Y851-F871 HydrophobicContact CE1-CB 4.45Å; Y851-F871 AromaticContact CE1-CD2 3.6Å; Y851-F871 HydrophobicContact CE1-CD2 3.6Å; Y851-F871 VanDerWaalsContact CE1-CD2 3.48Å; Y851-F871 HydrophobicContact CE1-CE2 4.16Å; Y851-F871 HydrophobicContact CE1-CG 4.33Å; Y851-F871 HydrophobicContact CE2-CB 4.01Å; Y851-F871 HydrophobicContact CE2-CD2 4.25Å; Y851-F871 HydrophobicContact CE2-CG 4.18Å; Y851-F871 HydrophobicContact CG-CB 3.72Å; Y851-F871 HydrophobicContact CG-CD2 4.15Å; Y851-F871 HydrophobicContact CG-CG 4.33Å; Y851-F871 AromaticContact CZ-CD2 3.85Å |
| 852 | S | 87.3 | Confident | 83.2 | Confident | 55.25 Ų | 55.25 | 72.6 Ų | 72.6 | 39% | 0.386 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 145.8 | 172.6 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | D809 | D809-S852 WeakPolarHBondContact O-CA 3.31Å |
| 853 | A | 86.8 | Confident | 82.8 | Confident | 7.5 Ų | 7.5 | 68.1 Ų | 68.1 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | R808 D809 F810 Y851 V865 G866 L868 | R808-A853 HydrophobicContact CG-CB 3.9Å; D809-A853 PolarHBondContact O-N 3.05Å; D809-A853 VanDerWaalsContact O-N 3.09Å; F810-A853 HydrophobicContact CD2-CB 4.03Å; F810-A853 VanDerWaalsContact CD2-O 3.27Å; F810-A853 WeakPolarHBondContact CD2-O 3.3Å; F810-A853 HydrophobicContact CE2-CB 4.37Å; F810-A853 WeakPolarHBondContact CE2-O 3.34Å; Y851-A853 HydrophobicContact CE2-CB 4.43Å; A853-V865 HydrophobicContact CB-CG1 3.54Å; A853-G866 WeakPolarHBondContact CA-O 3.36Å; A853-L868 HydrophobicContact CB-CD2 3.91Å |
| 854 | Q | 85 | Confident | 82.5 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.9 | -178.9 | -70.9 | 178.8 | -12.1 | 0 | 0 | 111.4 | I856 V865 G866 N867 | Q854-I856 PolarHBondContact O-N 3.08Å; Q854-V865 CarbonylContact O-C 3.6Å; Q854-V865 WeakPolarHBondContact O-CA 3.39Å; Q854-G866 PolarHBondContact N-O 3.08Å; Q854-G866 PolarHBondContact O-N 3.31Å; Q854-N867 HydrophobicContact CB-CB 4.37Å; Q854-N867 HydrophobicContact CG-CB 4.37Å |
| 855 | F | 84.9 | Confident | 82.5 | Confident | 40.75 Ų | 40.75 | 62.5 Ų | 62.5 | 18% | 0.179 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.1 | 172.7 | -177.2 | -105 | 0 | 0 | 0 | 109.2 | F810 D814 I815 P816 G857 V858 P863 M864 | F810-F855 HydrophobicContact CE2-CB 4.42Å; F810-F855 HydrophobicContact CZ-CB 4.01Å; D814-F855 WeakPolarHBondContact O-CD1 3.31Å; I815-F855 HydrophobicContact CG1-CB 4.27Å; I815-F855 HydrophobicContact CG1-CD2 4.48Å; I815-F855 HydrophobicContact CG1-CG 4.36Å; I815-F855 HydrophobicContact CG2-CD2 4.43Å; I815-F855 HydrophobicContact CG2-CE2 4.35Å; P816-F855 VanDerWaalsContact CD-CE1 3.49Å; P816-F855 HydrophobicContact CG-CE1 4.03Å; P816-F855 HydrophobicContact CG-CZ 4.15Å; F855-G857 VanDerWaalsContact CE2-O 3.24Å; F855-G857 WeakPolarHBondContact CE2-O 3.37Å; F855-G857 VanDerWaalsContact CZ-O 3.23Å; F855-G857 WeakPolarHBondContact CZ-O 3.36Å; F855-V858 HydrophobicContact CE2-CG2 4.49Å; F855-V858 HydrophobicContact CZ-CG2 3.99Å; F855-P863 HydrophobicContact CE2-CB 3.7Å; F855-P863 HydrophobicContact CZ-CB 4.35Å; F855-M864 WeakPolarHBondContact CD2-O 3.4Å |
| 856 | I | 83.1 | Confident | 82.6 | Confident | 123.25 Ų | 123.25 | 60.5 Ų | 60.5 | 63% | 0.632 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -27.5 | -176.3 | -66.2 | -172.7 | 0 | 0 | 0 | 111.9 | Q854 M864 G866 | Q854-I856 PolarHBondContact O-N 3.08Å; I856-M864 PolarHBondContact N-O 2.99Å; I856-G866 VanDerWaalsContact CD1-CA 3.41Å |
| 857 | G | 82.4 | Confident | 82.7 | Confident | 22.5 Ų | 22.5 | 63.3 Ų | 63.3 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | -159.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F855 M864 | F855-G857 VanDerWaalsContact CE2-O 3.24Å; F855-G857 WeakPolarHBondContact CE2-O 3.37Å; F855-G857 VanDerWaalsContact CZ-O 3.23Å; F855-G857 WeakPolarHBondContact CZ-O 3.36Å; G857-M864 PolarHBondContact O-N 2.79Å |
| 858 | V | 80.6 | Confident | 82.8 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.6 | 178 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | Y819 F855 R862 | Y819-V858 HydrophobicContact CD2-CG2 4.3Å; Y819-V858 HydrophobicContact CE1-CG1 4.35Å; Y819-V858 HydrophobicContact CE1-CG2 4.37Å; Y819-V858 HydrophobicContact CE2-CG2 3.75Å; F855-V858 HydrophobicContact CE2-CG2 4.49Å; F855-V858 HydrophobicContact CZ-CG2 3.99Å; V858-R862 WeakPolarHBondContact CA-O 3.31Å |
| 859 | I | 71.6 | Confident | 82.8 | Confident | 106.5 Ų | 106.5 | 65 Ų | 65 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.8 | 174.2 | -57.3 | 179.4 | 0 | 0 | 0 | 106.8 | D861 R862 M864 | I859-D861 VanDerWaalsContact C-N 3.31Å; I859-D861 PolarHBondContact O-N 3Å; I859-R862 PolarHBondContact N-O 3.12Å; I859-R862 WeakPolarHBondContact O-CA 3.15Å; I859-R862 WeakPolarHBondContact O-CB 3.26Å; I859-R862 PolarHBondContact O-N 3.13Å; I859-M864 HydrophobicContact CB-CE 4.16Å; I859-M864 HydrophobicContact CB-CG 4.11Å; I859-M864 HydrophobicContact CD1-CG 3.96Å; I859-M864 HydrophobicContact CG1-CG 3.91Å |
| 860 | D | 68.8 | Low | 82.7 | Confident | 143.5 Ų | 143.5 | 66.3 Ų | 66.3 | 77% | 0.767 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 50.8 | -177.8 | -59.7 | -25.4 | 0 | 0 | 0 | 113.6 | R862 | D860-R862 PolarHBondContact O-N 3.01Å; D860-R862 VanDerWaalsContact O-N 3.08Å |
| 861 | D | 71.1 | Confident | 82.8 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 13.4 | -176 | -61.9 | -30 | 0 | 0 | 0 | 115.4 | K618 I859 | K618-D861 IonicContact NZ-OD1 3.22Å; K618-D861 PolarHBondContact NZ-OD1 3.04Å; K618-D861 IonicContact NZ-OD2 2.72Å; K618-D861 PolarHBondContact NZ-OD2 2.87Å; I859-D861 VanDerWaalsContact C-N 3.31Å; I859-D861 PolarHBondContact O-N 3Å |
| 862 | R | 74.1 | Confident | 82.7 | Confident | 154.25 Ų | 154.25 | 63 Ų | 63 | 58% | 0.582 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.7 | 174.4 | -62.2 | -177.8 | -170.6 | -174.9 | 2.3 | 111.5 | V858 I859 D860 M864 | V858-R862 WeakPolarHBondContact CA-O 3.31Å; I859-R862 PolarHBondContact N-O 3.12Å; I859-R862 WeakPolarHBondContact O-CA 3.15Å; I859-R862 WeakPolarHBondContact O-CB 3.26Å; I859-R862 PolarHBondContact O-N 3.13Å; D860-R862 PolarHBondContact O-N 3.01Å; D860-R862 VanDerWaalsContact O-N 3.08Å; R862-M864 HydrophobicContact CB-CE 3.79Å; R862-M864 WeakPolarHBondContact O-CE 3.33Å; R862-M864 PolarHBondContact O-N 3.25Å |
| 863 | P | 80.2 | Confident | 82.7 | Confident | 7.25 Ų | 7.25 | 63.5 Ų | 63.5 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116 | 179.9 | 29.2 | -34.4 | 0 | 0 | 0 | 111.5 | H678 Y819 I822 F823 F855 | H678-P863 PolarHBondContact CE1-O 3.33Å; H678-P863 PolarHBondContact NE2-O 2.9Å; Y819-P863 HydrophobicContact CD1-CB 4.07Å; Y819-P863 HydrophobicContact CD1-CG 4.02Å; Y819-P863 HydrophobicContact CG-CB 4.18Å; Y819-P863 HydrophobicContact CG-CG 4.42Å; I822-P863 HydrophobicContact CD1-CG 3.8Å; I822-P863 HydrophobicContact CG2-CG 4.35Å; F823-P863 HydrophobicContact CE2-CB 3.69Å; F823-P863 HydrophobicContact CE2-CG 3.71Å; F823-P863 HydrophobicContact CZ-CB 3.83Å; F823-P863 HydrophobicContact CZ-CG 3.76Å; F855-P863 HydrophobicContact CE2-CB 3.7Å; F855-P863 HydrophobicContact CZ-CB 4.35Å |
| 864 | M | 81.2 | Confident | 82.9 | Confident | 45.5 Ų | 45.5 | 65.1 Ų | 65.1 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.8 | -175.5 | -66.5 | -67.9 | 117.8 | 0 | 0 | 112.7 | H678 F855 I856 G857 I859 R862 | H678-M864 VanDerWaalsContact NE2-CE 3.31Å; H678-M864 WeakPolarHBondContact NE2-CE 3.44Å; F855-M864 WeakPolarHBondContact CD2-O 3.4Å; I856-M864 PolarHBondContact N-O 2.99Å; G857-M864 PolarHBondContact O-N 2.79Å; I859-M864 HydrophobicContact CB-CE 4.16Å; I859-M864 HydrophobicContact CB-CG 4.11Å; I859-M864 HydrophobicContact CD1-CG 3.96Å; I859-M864 HydrophobicContact CG1-CG 3.91Å; R862-M864 HydrophobicContact CB-CE 3.79Å; R862-M864 WeakPolarHBondContact O-CE 3.33Å; R862-M864 PolarHBondContact O-N 3.25Å |
| 865 | V | 83.6 | Confident | 83.2 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.9 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | A679 F810 F823 A853 Q854 L868 | A679-V865 HydrophobicContact CB-CB 4.01Å; A679-V865 WeakPolarHBondContact CB-O 3.28Å; F810-V865 HydrophobicContact CE2-CG1 4.04Å; F810-V865 HydrophobicContact CE2-CG2 4.33Å; F810-V865 HydrophobicContact CZ-CG1 4.48Å; F810-V865 HydrophobicContact CZ-CG2 4Å; F823-V865 HydrophobicContact CD1-CG2 4.48Å; F823-V865 HydrophobicContact CE1-CG2 3.61Å; F823-V865 HydrophobicContact CZ-CG2 3.82Å; A853-V865 HydrophobicContact CB-CG1 3.54Å; Q854-V865 CarbonylContact O-C 3.6Å; Q854-V865 WeakPolarHBondContact O-CA 3.39Å; V865-L868 HydrophobicContact CG1-CD2 4.45Å |
| 866 | G | 83.4 | Confident | 83.3 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -154.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A853 Q854 I856 L868 | A853-G866 WeakPolarHBondContact CA-O 3.36Å; Q854-G866 PolarHBondContact N-O 3.08Å; Q854-G866 PolarHBondContact O-N 3.31Å; I856-G866 VanDerWaalsContact CD1-CA 3.41Å; G866-L868 VanDerWaalsContact C-N 3.28Å |
| 867 | N | 85.8 | Confident | 83.5 | Confident | 70.5 Ų | 70.5 | 56.6 Ų | 56.6 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | trans | 59 | 36.8 | -160.4 | -164.8 | 24 | 0 | 0 | 0 | 112.4 | Q854 D869 | Q854-N867 HydrophobicContact CB-CB 4.37Å; Q854-N867 HydrophobicContact CG-CB 4.37Å; N867-D869 VanDerWaalsContact C-N 3.32Å; N867-D869 PolarHBondContact O-N 2.82Å | ||
| 868 | L | 87.9 | Confident | 83.8 | Confident | 13.75 Ų | 13.75 | 56.5 Ų | 56.5 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | trans | -89.2 | 10.8 | -174.6 | -64.1 | 175.5 | 0 | 0 | 0 | 113.7 | A679 E680 L683 Y851 A853 V865 G866 N870 F871 A872 | A679-L868 HydrophobicContact CB-CD1 4.15Å; E680-L868 HydrophobicContact CG-CD1 4.14Å; E680-L868 HydrophobicContact CG-CD2 4.05Å; L683-L868 HydrophobicContact CD2-CB 3.7Å; L683-L868 HydrophobicContact CD2-CD1 4.17Å; L683-L868 HydrophobicContact CD2-CG 4.45Å; Y851-L868 HydrophobicContact CD2-CD2 4.17Å; Y851-L868 HydrophobicContact CE2-CD2 3.77Å; A853-L868 HydrophobicContact CB-CD2 3.91Å; V865-L868 HydrophobicContact CG1-CD2 4.45Å; G866-L868 VanDerWaalsContact C-N 3.28Å; L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.93Å; L868-F871 HydrophobicContact CB-CB 4.47Å; L868-F871 HydrophobicContact CD2-CB 4.45Å; L868-F871 CarbonylContact O-C 3.57Å; L868-F871 WeakPolarHBondContact O-CA 3.48Å; L868-F871 WeakPolarHBondContact O-CB 3.43Å; L868-F871 PolarHBondContact O-N 3.27Å; L868-F871 VanDerWaalsContact O-N 3.09Å; L868-A872 WeakPolarHBondContact O-CB 3.45Å; L868-A872 PolarHBondContact O-N 3.37Å | ||
| 869 | D | 87.6 | Confident | 84.1 | Confident | 122.75 Ų | 122.75 | 53.9 Ų | 53.9 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64 | -36 | -177.5 | -59.6 | -51.3 | 0 | 0 | 0 | 112.5 | N867 F871 A872 S873 | N867-D869 VanDerWaalsContact C-N 3.32Å; N867-D869 PolarHBondContact O-N 2.82Å; D869-F871 VanDerWaalsContact C-N 3.34Å; D869-A872 WeakPolarHBondContact O-CB 3.17Å; D869-A872 PolarHBondContact O-N 3.31Å; D869-S873 WeakPolarHBondContact O-CB 3.4Å; D869-S873 PolarHBondContact O-N 2.9Å; D869-S873 PolarHBondContact O-OG 3.25Å |
| 870 | N | 88.9 | Confident | 84.7 | Confident | 73.5 Ų | 73.5 | 50.7 Ų | 50.7 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 173.8 | -151.9 | 5.4 | 0 | 0 | 0 | 111 | L868 A872 S873 Q874 | L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.93Å; N870-A872 VanDerWaalsContact C-N 3.34Å; N870-A872 PolarHBondContact O-N 3.19Å; N870-S873 PolarHBondContact O-N 3.26Å; N870-S873 PolarHBondContact O-OG 3.32Å; N870-S873 VanDerWaalsContact O-OG 3.1Å; N870-Q874 PolarHBondContact ND2-NE2 3.22Å; N870-Q874 VanDerWaalsContact O-CB 3.31Å; N870-Q874 WeakPolarHBondContact O-CB 3.25Å; N870-Q874 VanDerWaalsContact O-CG 3.22Å; N870-Q874 WeakPolarHBondContact O-CG 3.32Å; N870-Q874 PolarHBondContact O-N 3.34Å; N870-Q874 VanDerWaalsContact O-N 3.12Å; N870-Q874 PolarHBondContact OD1-NE2 3.12Å |
| 871 | F | 92.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 173.8 | 169.9 | -107.7 | 0 | 0 | 0 | 111.7 | E680 L683 I684 L688 L740 F806 Y851 L868 D869 S873 Q874 F875 | E680-F871 HydrophobicContact CB-CD1 4.48Å; E680-F871 HydrophobicContact CB-CE1 3.91Å; E680-F871 HydrophobicContact CB-CZ 4.19Å; E680-F871 HydrophobicContact CG-CD1 4.31Å; E680-F871 HydrophobicContact CG-CE1 4.17Å; E680-F871 HydrophobicContact CG-CZ 4.47Å; L683-F871 HydrophobicContact CD2-CD1 4.02Å; L683-F871 HydrophobicContact CD2-CE1 4.33Å; I684-F871 HydrophobicContact CD1-CE1 4.18Å; I684-F871 HydrophobicContact CD1-CZ 3.79Å; I684-F871 HydrophobicContact CG1-CE1 3.97Å; I684-F871 HydrophobicContact CG1-CZ 4.01Å; L688-F871 HydrophobicContact CD1-CE1 4.26Å; L740-F871 HydrophobicContact CD1-CZ 4.44Å; L740-F871 HydrophobicContact CD2-CE2 3.88Å; L740-F871 HydrophobicContact CD2-CZ 3.96Å; F806-F871 HydrophobicContact CB-CD2 4.27Å; F806-F871 HydrophobicContact CB-CE2 3.87Å; F806-F871 AromaticContact CD1-CD2 3.91Å; F806-F871 HydrophobicContact CD1-CD2 3.91Å; F806-F871 AromaticContact CD1-CE2 3.86Å; F806-F871 HydrophobicContact CD1-CE2 3.86Å; F806-F871 HydrophobicContact CD2-CE2 4.42Å; F806-F871 HydrophobicContact CE1-CE2 4.46Å; F806-F871 HydrophobicContact CG-CD2 4.24Å; F806-F871 AromaticContact CG-CE2 3.79Å; F806-F871 HydrophobicContact CG-CE2 3.79Å; Y851-F871 HydrophobicContact CD1-CB 4.21Å; Y851-F871 AromaticContact CD1-CD2 3.75Å; Y851-F871 HydrophobicContact CD1-CD2 3.75Å; Y851-F871 HydrophobicContact CD1-CG 4.37Å; Y851-F871 HydrophobicContact CD2-CB 3.63Å; Y851-F871 HydrophobicContact CD2-CD2 4.4Å; Y851-F871 HydrophobicContact CD2-CG 4.26Å; Y851-F871 HydrophobicContact CE1-CB 4.45Å; Y851-F871 AromaticContact CE1-CD2 3.6Å; Y851-F871 HydrophobicContact CE1-CD2 3.6Å; Y851-F871 VanDerWaalsContact CE1-CD2 3.48Å; Y851-F871 HydrophobicContact CE1-CE2 4.16Å; Y851-F871 HydrophobicContact CE1-CG 4.33Å; Y851-F871 HydrophobicContact CE2-CB 4.01Å; Y851-F871 HydrophobicContact CE2-CD2 4.25Å; Y851-F871 HydrophobicContact CE2-CG 4.18Å; Y851-F871 HydrophobicContact CG-CB 3.72Å; Y851-F871 HydrophobicContact CG-CD2 4.15Å; Y851-F871 HydrophobicContact CG-CG 4.33Å; Y851-F871 AromaticContact CZ-CD2 3.85Å; L868-F871 HydrophobicContact CB-CB 4.47Å; L868-F871 HydrophobicContact CD2-CB 4.45Å; L868-F871 CarbonylContact O-C 3.57Å; L868-F871 WeakPolarHBondContact O-CA 3.48Å; L868-F871 WeakPolarHBondContact O-CB 3.43Å; L868-F871 PolarHBondContact O-N 3.27Å; L868-F871 VanDerWaalsContact O-N 3.09Å; D869-F871 VanDerWaalsContact C-N 3.34Å; F871-S873 PolarHBondContact O-N 2.98Å; F871-Q874 PolarHBondContact O-N 3.09Å; F871-F875 HydrophobicContact CE2-CB 4.43Å; F871-F875 HydrophobicContact CE2-CD2 4.4Å; F871-F875 HydrophobicContact CZ-CB 4.38Å; F871-F875 HydrophobicContact CZ-CD2 4.25Å; F871-F875 HydrophobicContact CZ-CG 4.46Å; F871-F875 VanDerWaalsContact O-CB 3.25Å; F871-F875 WeakPolarHBondContact O-CB 3.39Å; F871-F875 PolarHBondContact O-N 3.15Å |
| 872 | A | 89.2 | Confident | 85.9 | Confident | 14.5 Ų | 14.5 | 40.8 Ų | 40.8 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.7 | -49.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L683 L688 L868 D869 N870 F875 L876 | L683-A872 HydrophobicContact CD2-CB 4.24Å; L688-A872 HydrophobicContact CD1-CB 4.25Å; L688-A872 HydrophobicContact CD2-CB 3.55Å; L868-A872 WeakPolarHBondContact O-CB 3.45Å; L868-A872 PolarHBondContact O-N 3.37Å; D869-A872 WeakPolarHBondContact O-CB 3.17Å; D869-A872 PolarHBondContact O-N 3.31Å; N870-A872 VanDerWaalsContact C-N 3.34Å; N870-A872 PolarHBondContact O-N 3.19Å; A872-F875 PolarHBondContact O-N 3.12Å; A872-L876 WeakPolarHBondContact O-CB 3.3Å; A872-L876 WeakPolarHBondContact O-CG 3.26Å; A872-L876 PolarHBondContact O-N 3.2Å; A872-L876 VanDerWaalsContact O-N 3.09Å |
| 873 | S | 88.5 | Confident | 86.2 | Confident | 64.75 Ų | 64.75 | 33.5 Ų | 33.5 | 45% | 0.453 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.1 | -40.5 | -179.4 | 58 | 0 | 0 | 0 | 0 | 112.6 | D869 N870 F871 S877 | D869-S873 WeakPolarHBondContact O-CB 3.4Å; D869-S873 PolarHBondContact O-N 2.9Å; D869-S873 PolarHBondContact O-OG 3.25Å; N870-S873 PolarHBondContact O-N 3.26Å; N870-S873 PolarHBondContact O-OG 3.32Å; N870-S873 VanDerWaalsContact O-OG 3.1Å; F871-S873 PolarHBondContact O-N 2.98Å; S873-S877 VanDerWaalsContact O-CB 3.3Å; S873-S877 WeakPolarHBondContact O-CB 3.33Å; S873-S877 PolarHBondContact O-N 3.02Å; S873-S877 VanDerWaalsContact O-N 3.1Å; S873-S877 PolarHBondContact O-OG 2.93Å |
| 874 | Q | 90.1 | Very high | 86 | Confident | 41 Ų | 41 | 37 Ų | 37 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.5 | -72.2 | 179.6 | 11.6 | 0 | 0 | 111.9 | F806 L849 S850 N870 F871 S877 T878 | F806-Q874 HydrophobicContact CE1-CB 4.1Å; L849-Q874 HydrophobicContact CD1-CB 4.37Å; S850-Q874 PolarHBondContact O-NE2 3.19Å; N870-Q874 PolarHBondContact ND2-NE2 3.22Å; N870-Q874 VanDerWaalsContact O-CB 3.31Å; N870-Q874 WeakPolarHBondContact O-CB 3.25Å; N870-Q874 VanDerWaalsContact O-CG 3.22Å; N870-Q874 WeakPolarHBondContact O-CG 3.32Å; N870-Q874 PolarHBondContact O-N 3.34Å; N870-Q874 VanDerWaalsContact O-N 3.12Å; N870-Q874 PolarHBondContact OD1-NE2 3.12Å; F871-Q874 PolarHBondContact O-N 3.09Å; Q874-S877 WeakPolarHBondContact CA-OG 3.17Å; Q874-S877 PolarHBondContact O-OG 3.1Å; Q874-S877 VanDerWaalsContact O-OG 3.09Å; Q874-T878 VanDerWaalsContact O-CB 3.24Å; Q874-T878 WeakPolarHBondContact O-CB 3.42Å; Q874-T878 PolarHBondContact O-N 3.19Å; Q874-T878 PolarHBondContact O-OG1 3.09Å |
| 875 | F | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -51.2 | 178.8 | -179.6 | -89.2 | 0 | 0 | 0 | 111.8 | I684 L688 V689 V738 F806 F871 A872 T878 L879 | I684-F875 HydrophobicContact CD1-CD2 4.43Å; I684-F875 HydrophobicContact CD1-CE2 3.96Å; I684-F875 HydrophobicContact CD1-CZ 4.28Å; I684-F875 HydrophobicContact CG1-CD2 4.43Å; I684-F875 HydrophobicContact CG1-CE1 4.34Å; I684-F875 HydrophobicContact CG1-CE2 4.05Å; I684-F875 HydrophobicContact CG1-CZ 4.01Å; I684-F875 HydrophobicContact CG2-CE1 4.11Å; I684-F875 HydrophobicContact CG2-CE2 4.35Å; I684-F875 HydrophobicContact CG2-CZ 3.73Å; L688-F875 HydrophobicContact CB-CD1 4.07Å; L688-F875 HydrophobicContact CB-CE1 4.14Å; L688-F875 HydrophobicContact CD1-CB 4.16Å; L688-F875 HydrophobicContact CD1-CD1 3.65Å; L688-F875 HydrophobicContact CD1-CE1 4.26Å; L688-F875 HydrophobicContact CD1-CG 4.04Å; L688-F875 HydrophobicContact CG-CD1 4.44Å; V689-F875 HydrophobicContact CG2-CE1 4.48Å; V738-F875 HydrophobicContact CG1-CD2 4.46Å; V738-F875 HydrophobicContact CG1-CE2 4.07Å; V738-F875 HydrophobicContact CG2-CE2 4.31Å; F806-F875 HydrophobicContact CE1-CB 4.26Å; F806-F875 AromaticContact CE2-CD2 3.93Å; F806-F875 HydrophobicContact CE2-CD2 3.99Å; F806-F875 HydrophobicContact CZ-CB 4.18Å; F806-F875 HydrophobicContact CZ-CD2 4.09Å; F871-F875 HydrophobicContact CE2-CB 4.43Å; F871-F875 HydrophobicContact CE2-CD2 4.4Å; F871-F875 HydrophobicContact CZ-CB 4.38Å; F871-F875 HydrophobicContact CZ-CD2 4.25Å; F871-F875 HydrophobicContact CZ-CG 4.46Å; F871-F875 VanDerWaalsContact O-CB 3.25Å; F871-F875 WeakPolarHBondContact O-CB 3.39Å; F871-F875 PolarHBondContact O-N 3.15Å; A872-F875 PolarHBondContact O-N 3.12Å; F875-T878 PolarHBondContact O-N 3.14Å; F875-L879 HydrophobicContact CD1-CD1 4.05Å; F875-L879 HydrophobicContact CD2-CD1 4.43Å; F875-L879 HydrophobicContact CE1-CD1 3.44Å; F875-L879 VanDerWaalsContact CE1-CD1 3.44Å; F875-L879 HydrophobicContact CE1-CG 4.49Å; F875-L879 HydrophobicContact CE2-CD1 3.99Å; F875-L879 HydrophobicContact CG-CD1 4.44Å; F875-L879 HydrophobicContact CZ-CD1 3.41Å; F875-L879 VanDerWaalsContact CZ-CD1 3.44Å; F875-L879 HydrophobicContact CZ-CG 4.49Å; F875-L879 PolarHBondContact O-N 3.1Å; F875-L879 VanDerWaalsContact O-N 3.11Å |
| 876 | L | 87.6 | Confident | 85.1 | Confident | 34.25 Ų | 34.25 | 42.6 Ų | 42.6 | 18% | 0.179 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 178.7 | -76.7 | 172.4 | 0 | 0 | 0 | 111.9 | L688 L692 A872 T878 L879 E880 | L688-L876 HydrophobicContact CB-CD2 4.19Å; L688-L876 HydrophobicContact CB-CG 4.38Å; L688-L876 HydrophobicContact CD2-CD1 3.93Å; L688-L876 HydrophobicContact CD2-CG 4.17Å; L688-L876 WeakPolarHBondContact O-CD2 3.28Å; L692-L876 HydrophobicContact CB-CD2 3.88Å; L692-L876 HydrophobicContact CD1-CD2 4.16Å; A872-L876 WeakPolarHBondContact O-CB 3.3Å; A872-L876 WeakPolarHBondContact O-CG 3.26Å; A872-L876 PolarHBondContact O-N 3.2Å; A872-L876 VanDerWaalsContact O-N 3.09Å; L876-T878 VanDerWaalsContact C-N 3.31Å; L876-T878 PolarHBondContact O-N 3.21Å; L876-L879 PolarHBondContact O-N 3.21Å; L876-E880 VanDerWaalsContact O-CB 3.28Å; L876-E880 WeakPolarHBondContact O-CB 3.37Å; L876-E880 VanDerWaalsContact O-CG 3.3Å; L876-E880 WeakPolarHBondContact O-CG 3.35Å; L876-E880 PolarHBondContact O-N 3.18Å |
| 877 | S | 87.5 | Confident | 84.4 | Confident | 65.75 Ų | 65.75 | 44.5 Ų | 44.5 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -36.7 | -178.5 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | S873 Q874 S881 | S873-S877 VanDerWaalsContact O-CB 3.3Å; S873-S877 WeakPolarHBondContact O-CB 3.33Å; S873-S877 PolarHBondContact O-N 3.02Å; S873-S877 VanDerWaalsContact O-N 3.1Å; S873-S877 PolarHBondContact O-OG 2.93Å; Q874-S877 WeakPolarHBondContact CA-OG 3.17Å; Q874-S877 PolarHBondContact O-OG 3.1Å; Q874-S877 VanDerWaalsContact O-OG 3.09Å; S877-S881 VanDerWaalsContact O-CB 3.26Å; S877-S881 WeakPolarHBondContact O-CB 3.29Å; S877-S881 PolarHBondContact O-N 3.17Å; S877-S881 PolarHBondContact O-OG 2.85Å; S877-S881 VanDerWaalsContact O-OG 3.08Å |
| 878 | T | 88 | Confident | 83 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -46 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | F804 F806 L849 Q874 F875 L876 S881 T882 | F804-T878 HydrophobicContact CB-CG2 4.34Å; F804-T878 HydrophobicContact CD1-CG2 3.2Å; F804-T878 HydrophobicContact CD2-CG2 4.21Å; F804-T878 HydrophobicContact CE1-CG2 3.41Å; F804-T878 VanDerWaalsContact CE1-CG2 3.44Å; F804-T878 HydrophobicContact CE2-CG2 4.37Å; F804-T878 HydrophobicContact CG-CG2 3.67Å; F804-T878 HydrophobicContact CZ-CG2 4.02Å; F806-T878 HydrophobicContact CZ-CG2 4.42Å; L849-T878 HydrophobicContact CD1-CG2 4.34Å; L849-T878 VanDerWaalsContact CD1-OG1 3.25Å; L849-T878 WeakPolarHBondContact CD1-OG1 3.41Å; Q874-T878 VanDerWaalsContact O-CB 3.24Å; Q874-T878 WeakPolarHBondContact O-CB 3.42Å; Q874-T878 PolarHBondContact O-N 3.19Å; Q874-T878 PolarHBondContact O-OG1 3.09Å; F875-T878 PolarHBondContact O-N 3.14Å; L876-T878 VanDerWaalsContact C-N 3.31Å; L876-T878 PolarHBondContact O-N 3.21Å; T878-S881 PolarHBondContact O-OG 3.31Å; T878-S881 VanDerWaalsContact O-OG 3.11Å; T878-T882 VanDerWaalsContact O-CB 3.28Å; T878-T882 WeakPolarHBondContact O-CB 3.32Å; T878-T882 WeakPolarHBondContact O-CG2 3.17Å; T878-T882 PolarHBondContact O-N 2.85Å; T878-T882 VanDerWaalsContact O-N 3.13Å; T878-T882 PolarHBondContact O-OG1 3.23Å; T878-T882 VanDerWaalsContact O-OG1 3.09Å |
| 879 | L | 87.2 | Confident | 81.1 | Confident | 2.75 Ų | 2.75 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 177.5 | -73 | -178.2 | 0 | 0 | 0 | 112.1 | L692 I736 V738 F804 F875 L876 S881 T882 L883 | L692-L879 HydrophobicContact CD1-CB 4Å; L692-L879 HydrophobicContact CD1-CD1 4.49Å; L692-L879 HydrophobicContact CD2-CB 3.97Å; L692-L879 HydrophobicContact CD2-CD1 3.69Å; L692-L879 HydrophobicContact CD2-CG 4.44Å; I736-L879 HydrophobicContact CD1-CD2 4.34Å; I736-L879 HydrophobicContact CG2-CD2 3.81Å; V738-L879 HydrophobicContact CG2-CD2 4.31Å; F804-L879 HydrophobicContact CD2-CD2 4.32Å; F804-L879 HydrophobicContact CE2-CD2 4.49Å; F875-L879 HydrophobicContact CD1-CD1 4.05Å; F875-L879 HydrophobicContact CD2-CD1 4.43Å; F875-L879 HydrophobicContact CE1-CD1 3.44Å; F875-L879 VanDerWaalsContact CE1-CD1 3.44Å; F875-L879 HydrophobicContact CE1-CG 4.49Å; F875-L879 HydrophobicContact CE2-CD1 3.99Å; F875-L879 HydrophobicContact CG-CD1 4.44Å; F875-L879 HydrophobicContact CZ-CD1 3.41Å; F875-L879 VanDerWaalsContact CZ-CD1 3.44Å; F875-L879 HydrophobicContact CZ-CG 4.49Å; F875-L879 PolarHBondContact O-N 3.1Å; F875-L879 VanDerWaalsContact O-N 3.11Å; L876-L879 PolarHBondContact O-N 3.21Å; L879-S881 PolarHBondContact O-N 3.05Å; L879-T882 WeakPolarHBondContact CA-OG1 3.38Å; L879-T882 PolarHBondContact O-N 3.23Å; L879-T882 PolarHBondContact O-OG1 3.41Å; L879-L883 VanDerWaalsContact O-CB 3.31Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.29Å; L879-L883 PolarHBondContact O-N 3.23Å |
| 880 | E | 83.7 | Confident | 78.9 | Confident | 39.25 Ų | 39.25 | 49.7 Ų | 49.7 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.9 | -77.1 | -168.5 | -173.3 | 0 | 0 | 112.3 | L692 N695 L876 T882 L883 K884 | L692-E880 HydrophobicContact CD1-CB 4.46Å; L692-E880 HydrophobicContact CD1-CG 3.56Å; N695-E880 WeakPolarHBondContact CB-OE1 3.26Å; N695-E880 PolarHBondContact ND2-OE1 2.96Å; L876-E880 VanDerWaalsContact O-CB 3.28Å; L876-E880 WeakPolarHBondContact O-CB 3.37Å; L876-E880 VanDerWaalsContact O-CG 3.3Å; L876-E880 WeakPolarHBondContact O-CG 3.35Å; L876-E880 PolarHBondContact O-N 3.18Å; E880-T882 VanDerWaalsContact C-N 3.28Å; E880-T882 PolarHBondContact O-N 3.15Å; E880-L883 PolarHBondContact O-N 2.89Å; E880-K884 WeakPolarHBondContact O-CB 3.38Å; E880-K884 WeakPolarHBondContact O-CD 3.33Å; E880-K884 VanDerWaalsContact O-CG 3.27Å; E880-K884 WeakPolarHBondContact O-CG 3.41Å; E880-K884 PolarHBondContact O-N 3.15Å; E880-K884 IonicContact OE2-NZ 3.63Å; E880-K884 PolarHBondContact OE2-NZ 3.13Å |
| 881 | S | 83.1 | Confident | 76.5 | Confident | 63.75 Ų | 63.75 | 50.8 Ų | 50.8 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 178.6 | 62 | 0 | 0 | 0 | 0 | 112.1 | S877 T878 L879 R885 | S877-S881 VanDerWaalsContact O-CB 3.26Å; S877-S881 WeakPolarHBondContact O-CB 3.29Å; S877-S881 PolarHBondContact O-N 3.17Å; S877-S881 PolarHBondContact O-OG 2.85Å; S877-S881 VanDerWaalsContact O-OG 3.08Å; T878-S881 PolarHBondContact O-OG 3.31Å; T878-S881 VanDerWaalsContact O-OG 3.11Å; L879-S881 PolarHBondContact O-N 3.05Å; S881-R885 VanDerWaalsContact O-CB 3.3Å; S881-R885 WeakPolarHBondContact O-CB 3.23Å; S881-R885 PolarHBondContact O-N 3.32Å |
| 882 | T | 83 | Confident | 73.7 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.5 | -43 | 177.7 | -42.2 | 0 | 0 | 0 | 0 | 112.2 | I736 F804 T878 L879 E880 K884 R885 L886 | I736-T882 HydrophobicContact CD1-CG2 3.91Å; I736-T882 HydrophobicContact CG1-CG2 4.44Å; F804-T882 HydrophobicContact CE1-CG2 4.08Å; F804-T882 HydrophobicContact CE2-CG2 3.92Å; F804-T882 HydrophobicContact CZ-CG2 3.7Å; F804-T882 WeakPolarHBondContact CZ-OG1 3.35Å; T878-T882 VanDerWaalsContact O-CB 3.28Å; T878-T882 WeakPolarHBondContact O-CB 3.32Å; T878-T882 WeakPolarHBondContact O-CG2 3.17Å; T878-T882 PolarHBondContact O-N 2.85Å; T878-T882 VanDerWaalsContact O-N 3.13Å; T878-T882 PolarHBondContact O-OG1 3.23Å; T878-T882 VanDerWaalsContact O-OG1 3.09Å; L879-T882 WeakPolarHBondContact CA-OG1 3.38Å; L879-T882 PolarHBondContact O-N 3.23Å; L879-T882 PolarHBondContact O-OG1 3.41Å; E880-T882 VanDerWaalsContact C-N 3.28Å; E880-T882 PolarHBondContact O-N 3.15Å; T882-K884 VanDerWaalsContact C-N 3.3Å; T882-K884 PolarHBondContact O-N 3.08Å; T882-R885 CarbonylContact O-C 3.57Å; T882-R885 PolarHBondContact O-N 3.14Å; T882-R885 VanDerWaalsContact O-N 3.15Å; T882-R885 PolarHBondContact OG1-NH2 3.06Å; T882-R885 VanDerWaalsContact OG1-NH2 3.15Å; T882-L886 HydrophobicContact CG2-CD1 3.81Å; T882-L886 HydrophobicContact CG2-CG 4.24Å; T882-L886 WeakPolarHBondContact O-CB 3.33Å; T882-L886 VanDerWaalsContact O-CG 3.28Å; T882-L886 WeakPolarHBondContact O-CG 3.42Å; T882-L886 PolarHBondContact O-N 3.26Å |
| 883 | L | 79.9 | Confident | 71 | Confident | 0.5 Ų | 0.5 | 60.8 Ų | 60.8 | 0% | 0.003 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174.5 | -71.4 | 168.5 | 0 | 0 | 0 | 110.9 | C666 L692 V696 I704 I736 L879 E880 R885 L886 Y887 Y888 | C666-L883 HydrophobicContact CB-CD2 3.8Å; C666-L883 VanDerWaalsContact SG-CD2 3.51Å; L692-L883 HydrophobicContact CD1-CD1 4.41Å; L692-L883 HydrophobicContact CD2-CD1 4.36Å; L692-L883 HydrophobicContact CG-CD1 4.48Å; V696-L883 HydrophobicContact CB-CD1 4.43Å; V696-L883 HydrophobicContact CG1-CB 4.49Å; V696-L883 HydrophobicContact CG1-CD1 4.29Å; V696-L883 HydrophobicContact CG2-CB 4.33Å; V696-L883 HydrophobicContact CG2-CD1 3.62Å; I704-L883 HydrophobicContact CD1-CD1 3.52Å; I704-L883 VanDerWaalsContact CD1-CD1 3.45Å; I704-L883 HydrophobicContact CG1-CD1 4.12Å; I736-L883 HydrophobicContact CD1-CD2 4.09Å; I736-L883 HydrophobicContact CD1-CG 4.43Å; L879-L883 VanDerWaalsContact O-CB 3.31Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.29Å; L879-L883 PolarHBondContact O-N 3.23Å; E880-L883 PolarHBondContact O-N 2.89Å; L883-R885 VanDerWaalsContact C-N 3.32Å; L883-R885 PolarHBondContact O-N 3.28Å; L883-L886 PolarHBondContact O-N 2.96Å; L883-Y887 HydrophobicContact CD2-CD2 3.99Å; L883-Y887 HydrophobicContact CD2-CE2 3.95Å; L883-Y887 WeakPolarHBondContact O-CA 3.45Å; L883-Y887 WeakPolarHBondContact O-CB 3.38Å; L883-Y887 PolarHBondContact O-N 3.29Å; L883-Y888 PolarHBondContact O-N 2.74Å |
| 884 | K | 76.7 | Confident | 68.2 | Low | 81.5 Ų | 81.5 | 61.6 Ų | 61.6 | 35% | 0.354 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 170.5 | -73.4 | 166.1 | -178.2 | 164.8 | 0 | 110.7 | E880 T882 L886 Y887 Y888 | E880-K884 WeakPolarHBondContact O-CB 3.38Å; E880-K884 WeakPolarHBondContact O-CD 3.33Å; E880-K884 VanDerWaalsContact O-CG 3.27Å; E880-K884 WeakPolarHBondContact O-CG 3.41Å; E880-K884 PolarHBondContact O-N 3.15Å; E880-K884 IonicContact OE2-NZ 3.63Å; E880-K884 PolarHBondContact OE2-NZ 3.13Å; T882-K884 VanDerWaalsContact C-N 3.3Å; T882-K884 PolarHBondContact O-N 3.08Å; K884-L886 VanDerWaalsContact C-N 3.29Å; K884-L886 PolarHBondContact O-N 3.36Å; K884-L886 VanDerWaalsContact O-N 3.17Å; K884-Y887 PolarHBondContact O-N 3.1Å; K884-Y888 VanDerWaalsContact CA-CB 3.44Å; K884-Y888 HydrophobicContact CB-CG 4.29Å; K884-Y888 HydrophobicContact CG-CD2 4.46Å; K884-Y888 HydrophobicContact CG-CG 4.19Å; K884-Y888 VanDerWaalsContact O-CA 3.31Å; K884-Y888 WeakPolarHBondContact O-CA 3.39Å; K884-Y888 WeakPolarHBondContact O-CB 3.4Å; K884-Y888 PolarHBondContact O-N 3.1Å |
| 885 | R | 75.4 | Confident | 65.2 | Low | 133.5 Ų | 133.5 | 67.3 Ų | 67.3 | 50% | 0.504 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -32 | 178.2 | -178.4 | 174.4 | 59.3 | -153.1 | -4 | 114.2 | S801 S881 T882 L883 | S801-R885 VanDerWaalsContact CB-NH1 3.34Å; S801-R885 PolarHBondContact O-NH2 3.27Å; S801-R885 PolarHBondContact OG-NH1 2.95Å; S881-R885 VanDerWaalsContact O-CB 3.3Å; S881-R885 WeakPolarHBondContact O-CB 3.23Å; S881-R885 PolarHBondContact O-N 3.32Å; T882-R885 CarbonylContact O-C 3.57Å; T882-R885 PolarHBondContact O-N 3.14Å; T882-R885 VanDerWaalsContact O-N 3.15Å; T882-R885 PolarHBondContact OG1-NH2 3.06Å; T882-R885 VanDerWaalsContact OG1-NH2 3.15Å; L883-R885 VanDerWaalsContact C-N 3.32Å; L883-R885 PolarHBondContact O-N 3.28Å |
| 886 | L | 71.2 | Confident | 62.2 | Low | 40.25 Ų | 40.25 | 74.9 Ų | 74.9 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -87.4 | -34.1 | -177.7 | -69.9 | 175 | 0 | 0 | 0 | 113.5 | I736 M798 R802 T882 L883 K884 | I736-L886 HydrophobicContact CD1-CD1 4.33Å; I736-L886 HydrophobicContact CG1-CD1 4.25Å; M798-L886 HydrophobicContact CE-CD2 4.16Å; R802-L886 HydrophobicContact CG-CD1 4.46Å; T882-L886 HydrophobicContact CG2-CD1 3.81Å; T882-L886 HydrophobicContact CG2-CG 4.24Å; T882-L886 WeakPolarHBondContact O-CB 3.33Å; T882-L886 VanDerWaalsContact O-CG 3.28Å; T882-L886 WeakPolarHBondContact O-CG 3.42Å; T882-L886 PolarHBondContact O-N 3.26Å; L883-L886 PolarHBondContact O-N 2.96Å; K884-L886 VanDerWaalsContact C-N 3.29Å; K884-L886 PolarHBondContact O-N 3.36Å; K884-L886 VanDerWaalsContact O-N 3.17Å |
| 887 | Y | 67.7 | Low | 59.2 | Low | 50 Ų | 50 | 79 Ų | 79 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -129.9 | -10.5 | -167.7 | -58.4 | -76.3 | 0 | 0 | 0 | 115.1 | N664 F665 C666 T702 L883 K884 N889 | N664-Y887 HydrophobicContact CB-CD1 3.68Å; N664-Y887 VanDerWaalsContact CB-CD1 3.47Å; N664-Y887 HydrophobicContact CB-CE1 3.96Å; N664-Y887 HydrophobicContact CB-CG 4.25Å; F665-Y887 PolarHBondContact O-OH 3.39Å; C666-Y887 HydrophobicContact CB-CD2 4.48Å; C666-Y887 HydrophobicContact CB-CE2 3.6Å; T702-Y887 HydrophobicContact CG2-CD1 4.29Å; T702-Y887 HydrophobicContact CG2-CD2 3.88Å; T702-Y887 HydrophobicContact CG2-CE1 4.39Å; T702-Y887 HydrophobicContact CG2-CE2 4.16Å; T702-Y887 HydrophobicContact CG2-CG 3.95Å; T702-Y887 VanDerWaalsContact OG1-CB 3.27Å; T702-Y887 WeakPolarHBondContact OG1-CB 3.26Å; L883-Y887 HydrophobicContact CD2-CD2 3.99Å; L883-Y887 HydrophobicContact CD2-CE2 3.95Å; L883-Y887 WeakPolarHBondContact O-CA 3.45Å; L883-Y887 WeakPolarHBondContact O-CB 3.38Å; L883-Y887 PolarHBondContact O-N 3.29Å; K884-Y887 PolarHBondContact O-N 3.1Å; Y887-N889 PolarHBondContact O-N 3.08Å; Y887-N889 VanDerWaalsContact O-N 3.13Å |
| 888 | Y | 56.7 | Low | 56.3 | Low | 110 Ų | 110 | 80.7 Ų | 80.7 | 43% | 0.431 | 42% | 0.421 | S | S | . | . | trans | -78.2 | 108.8 | 176.8 | -174.4 | -98.3 | 0 | 0 | 0 | 110.7 | L883 K884 P890 D893 | L883-Y888 PolarHBondContact O-N 2.74Å; K884-Y888 VanDerWaalsContact CA-CB 3.44Å; K884-Y888 HydrophobicContact CB-CG 4.29Å; K884-Y888 HydrophobicContact CG-CD2 4.46Å; K884-Y888 HydrophobicContact CG-CG 4.19Å; K884-Y888 VanDerWaalsContact O-CA 3.31Å; K884-Y888 WeakPolarHBondContact O-CA 3.39Å; K884-Y888 WeakPolarHBondContact O-CB 3.4Å; K884-Y888 PolarHBondContact O-N 3.1Å; Y888-P890 HydrophobicContact CD1-CB 4.4Å; Y888-P890 HydrophobicContact CE1-CB 4.08Å; Y888-P890 HydrophobicContact CE1-CG 4.27Å; Y888-D893 PolarHBondContact OH-OD2 3.21Å; Y888-D893 VanDerWaalsContact OH-OD2 3.11Å | ||
| 889 | N | 47.7 | Very low | 53.3 | Low | 110 Ų | 110 | 86.2 Ų | 86.2 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | trans | -107.1 | 116.8 | 169.7 | -108.6 | -22.7 | 0 | 0 | 0 | 109 | Y887 V891 N892 | Y887-N889 PolarHBondContact O-N 3.08Å; Y887-N889 VanDerWaalsContact O-N 3.13Å; N889-V891 PolarHBondContact O-N 2.93Å; N889-N892 PolarHBondContact O-N 3.33Å | ||
| 890 | P | 42.2 | Very low | 50.3 | Low | 96.5 Ų | 96.5 | 91.5 Ų | 91.5 | 63% | 0.627 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 25.7 | -172.9 | 27.5 | -34.4 | 0 | 0 | 0 | 113.6 | Y888 N892 | Y888-P890 HydrophobicContact CD1-CB 4.4Å; Y888-P890 HydrophobicContact CE1-CB 4.08Å; Y888-P890 HydrophobicContact CE1-CG 4.27Å; P890-N892 VanDerWaalsContact C-N 3.29Å; P890-N892 PolarHBondContact O-N 3.23Å |
| 891 | V | 38.2 | Very low | 47.5 | Very low | 96.25 Ų | 96.25 | 95.3 Ų | 95.3 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.9 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | N889 D893 A894 F895 E908 | N889-V891 PolarHBondContact O-N 2.93Å; V891-D893 VanDerWaalsContact C-N 3.34Å; V891-D893 PolarHBondContact O-N 2.93Å; V891-A894 PolarHBondContact O-N 3.06Å; V891-F895 HydrophobicContact CG1-CD2 3.54Å; V891-F895 HydrophobicContact CG1-CE2 3.65Å; V891-F895 VanDerWaalsContact O-CD2 3.31Å; V891-F895 WeakPolarHBondContact O-CD2 3.21Å; V891-F895 PolarHBondContact O-N 3.42Å; V891-E908 HydrophobicContact CG1-CG 4.48Å; V891-E908 WeakPolarHBondContact CG1-OE1 3.32Å |
| 892 | N | 33.5 | Very low | 44.9 | Very low | 104.75 Ų | 104.75 | 97.2 Ų | 97.2 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -85 | -3.3 | -178.8 | -82 | -2.6 | 0 | 0 | 0 | 113.6 | S701 N889 P890 A894 F895 K896 | S701-N892 PolarHBondContact OG-ND2 3.44Å; N889-N892 PolarHBondContact O-N 3.33Å; P890-N892 VanDerWaalsContact C-N 3.29Å; P890-N892 PolarHBondContact O-N 3.23Å; N892-A894 VanDerWaalsContact C-N 3.32Å; N892-A894 PolarHBondContact O-N 3.01Å; N892-A894 VanDerWaalsContact O-N 3.14Å; N892-F895 CarbonylContact O-C 3.39Å; N892-F895 PolarHBondContact O-N 2.83Å; N892-F895 VanDerWaalsContact O-N 3.14Å; N892-K896 WeakPolarHBondContact O-CG 3.27Å |
| 893 | D | 32.3 | Very low | 42.3 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -73.3 | -0.9 | -176.9 | -81.1 | -32.6 | 0 | 0 | 0 | 114.7 | Y888 V891 F895 K896 | Y888-D893 PolarHBondContact OH-OD2 3.21Å; Y888-D893 VanDerWaalsContact OH-OD2 3.11Å; V891-D893 VanDerWaalsContact C-N 3.34Å; V891-D893 PolarHBondContact O-N 2.93Å; D893-F895 VanDerWaalsContact C-N 3.33Å; D893-F895 PolarHBondContact O-N 3.2Å; D893-K896 WeakPolarHBondContact OD1-CE 3.28Å; D893-K896 IonicContact OD1-NZ 3.19Å; D893-K896 PolarHBondContact OD1-NZ 3.04Å |
| 894 | A | 29.2 | Very low | 39.9 | Very low | 81.75 Ų | 81.75 | 109.2 Ų | 109.2 | 68% | 0.676 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -89.6 | -8.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | V891 N892 K896 | V891-A894 PolarHBondContact O-N 3.06Å; N892-A894 VanDerWaalsContact C-N 3.32Å; N892-A894 PolarHBondContact O-N 3.01Å; N892-A894 VanDerWaalsContact O-N 3.14Å; A894-K896 PolarHBondContact O-N 3.49Å |
| 895 | F | 28 | Very low | 37.7 | Very low | 159.5 Ų | 159.5 | 112.1 Ų | 112.1 | 70% | 0.7 | 61% | 0.61 | S | S | * | * | trans | -116.3 | 45.5 | -174.3 | -71.8 | -78.1 | 0 | 0 | 0 | 113.8 | V891 N892 D893 L897 | V891-F895 HydrophobicContact CG1-CD2 3.54Å; V891-F895 HydrophobicContact CG1-CE2 3.65Å; V891-F895 VanDerWaalsContact O-CD2 3.31Å; V891-F895 WeakPolarHBondContact O-CD2 3.21Å; V891-F895 PolarHBondContact O-N 3.42Å; N892-F895 CarbonylContact O-C 3.39Å; N892-F895 PolarHBondContact O-N 2.83Å; N892-F895 VanDerWaalsContact O-N 3.14Å; D893-F895 VanDerWaalsContact C-N 3.33Å; D893-F895 PolarHBondContact O-N 3.2Å; F895-L897 VanDerWaalsContact C-N 3.31Å; F895-L897 PolarHBondContact O-N 3.1Å | ||
| 896 | K | 26.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 112.7 Ų | 112.7 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | trans | -77.6 | 92.9 | 162.8 | -77.9 | 175.1 | -180 | 167.5 | 0 | 110.4 | S701 N892 D893 A894 | S701-K896 PolarHBondContact OG-NZ 3.39Å; S701-K896 VanDerWaalsContact OG-NZ 3.12Å; N892-K896 WeakPolarHBondContact O-CG 3.27Å; D893-K896 WeakPolarHBondContact OD1-CE 3.28Å; D893-K896 IonicContact OD1-NZ 3.19Å; D893-K896 PolarHBondContact OD1-NZ 3.04Å; A894-K896 PolarHBondContact O-N 3.49Å | ||
| 897 | L | 24.6 | Very low | 33.8 | Very low | 119.5 Ų | 119.5 | 117.4 Ų | 117.4 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | trans | -91.2 | 125.9 | 169.8 | -89.4 | 109.1 | 0 | 0 | 0 | 111.8 | F895 M899 E908 | F895-L897 VanDerWaalsContact C-N 3.31Å; F895-L897 PolarHBondContact O-N 3.1Å; L897-M899 HydrophobicContact CB-CB 4.38Å; L897-M899 HydrophobicContact CD2-CB 3.98Å; L897-M899 WeakPolarHBondContact CD2-O 3.45Å; L897-M899 HydrophobicContact CG-CB 4.43Å; L897-M899 PolarHBondContact O-N 3.24Å; L897-M899 VanDerWaalsContact O-N 3.17Å; L897-E908 WeakPolarHBondContact CB-OE1 3.25Å; L897-E908 WeakPolarHBondContact CD2-OE1 3.46Å | ||
| 898 | P | 26.4 | Very low | 32.4 | Very low | 101.5 Ų | 101.5 | 122.1 Ų | 122.1 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | trans | -88.3 | 107.1 | 158 | 25.6 | -20.1 | 0 | 0 | 0 | 110.5 | Q662 V900 I910 | Q662-P898 PolarHBondContact NE2-O 3.12Å; P898-V900 HydrophobicContact CB-CG2 4.23Å; P898-V900 HydrophobicContact CG-CG2 4.22Å; P898-V900 PolarHBondContact O-N 2.88Å; P898-I910 HydrophobicContact CB-CG1 4.24Å | ||
| 899 | M | 24.9 | Very low | 31.6 | Very low | 136.5 Ų | 136.5 | 121.7 Ų | 121.7 | 67% | 0.672 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -125 | 83.1 | 165.2 | -114.9 | -160.9 | 176.3 | 0 | 0 | 111.2 | L897 T901 I910 | L897-M899 HydrophobicContact CB-CB 4.38Å; L897-M899 HydrophobicContact CD2-CB 3.98Å; L897-M899 WeakPolarHBondContact CD2-O 3.45Å; L897-M899 HydrophobicContact CG-CB 4.43Å; L897-M899 PolarHBondContact O-N 3.24Å; L897-M899 VanDerWaalsContact O-N 3.17Å; M899-T901 VanDerWaalsContact C-N 3.31Å; M899-T901 PolarHBondContact O-N 2.84Å; M899-I910 HydrophobicContact CE-CD1 3.41Å; M899-I910 VanDerWaalsContact CE-CD1 3.41Å; M899-I910 HydrophobicContact CG-CD1 3.79Å; M899-I910 HydrophobicContact SD-CD1 4.44Å |
| 900 | V | 26.1 | Very low | 31.8 | Very low | 112.5 Ų | 112.5 | 120.6 Ų | 120.6 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -39.7 | 101.3 | 161.7 | -173.3 | 0 | 0 | 0 | 0 | 112 | P898 S902 | P898-V900 HydrophobicContact CB-CG2 4.23Å; P898-V900 HydrophobicContact CG-CG2 4.22Å; P898-V900 PolarHBondContact O-N 2.88Å; V900-S902 PolarHBondContact O-N 2.98Å | ||
| 901 | T | 25 | Very low | 32.3 | Very low | 120.75 Ų | 120.75 | 120.3 Ų | 120.3 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | trans | -79.4 | 103.9 | 165 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | M899 S903 | M899-T901 VanDerWaalsContact C-N 3.31Å; M899-T901 PolarHBondContact O-N 2.84Å; T901-S903 PolarHBondContact O-N 3Å | ||
| 902 | S | 27.4 | Very low | 33.5 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | trans | -107.6 | 125.2 | 151 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | V900 D904 | V900-S902 PolarHBondContact O-N 2.98Å; S902-D904 PolarHBondContact O-N 2.86Å | ||
| 903 | S | 28.3 | Very low | 34.8 | Very low | 102.5 Ų | 102.5 | 117.4 Ų | 117.4 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | trans | 49.1 | 88.4 | 160.6 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | T901 | T901-S903 PolarHBondContact O-N 3Š| ||
| 904 | D | 29.3 | Very low | 36.2 | Very low | 153.25 Ų | 153.25 | 116.5 Ų | 116.5 | 82% | 0.82 | 64% | 0.642 | S | S | * | * | trans | -175.9 | 135.8 | 133.4 | -81 | -28.8 | 0 | 0 | 0 | 112.1 | S902 N906 | S902-D904 PolarHBondContact O-N 2.86Å; D904-N906 PolarHBondContact O-N 3.19Å | ||
| 905 | D | 30.5 | Very low | 37.9 | Very low | 141.5 Ų | 141.5 | 114.2 Ų | 114.2 | 76% | 0.757 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -59 | 45.8 | -166.3 | -88.8 | -19.9 | 0 | 0 | 0 | 116.1 | K1096 | D905-K1096 IonicContact OD1-NZ 2.74Å; D905-K1096 IonicContact OD2-NZ 2.68Å; D905-K1096 PolarHBondContact OD2-NZ 3.48Å |
| 906 | N | 30.6 | Very low | 39.9 | Very low | 146.75 Ų | 146.75 | 107.5 Ų | 107.5 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | trans | -146.7 | 62 | 169.3 | -70.8 | -52.2 | 0 | 0 | 0 | 114 | D904 E908 | D904-N906 PolarHBondContact O-N 3.19Å; N906-E908 VanDerWaalsContact C-N 3.27Å; N906-E908 PolarHBondContact O-N 2.92Å | ||
| 907 | D | 33.6 | Very low | 41.6 | Very low | 138 Ų | 138 | 102.3 Ų | 102.3 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | trans | -71.8 | 99.2 | 179.9 | -70.7 | -40.9 | 0 | 0 | 0 | 113 | L909 K1072 | D907-L909 VanDerWaalsContact C-N 3.32Å; D907-L909 PolarHBondContact O-N 3.26Å; D907-K1072 IonicContact OD2-NZ 2.63Å; D907-K1072 PolarHBondContact OD2-NZ 3.25Å | ||
| 908 | E | 38.2 | Very low | 43.3 | Very low | 149 Ų | 149 | 98.8 Ų | 98.8 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | trans | -49.5 | 82.2 | 168.8 | -70.6 | -171.9 | 148.8 | 0 | 0 | 113.2 | V891 L897 N906 I910 | V891-E908 HydrophobicContact CG1-CG 4.48Å; V891-E908 WeakPolarHBondContact CG1-OE1 3.32Å; L897-E908 WeakPolarHBondContact CB-OE1 3.25Å; L897-E908 WeakPolarHBondContact CD2-OE1 3.46Å; N906-E908 VanDerWaalsContact C-N 3.27Å; N906-E908 PolarHBondContact O-N 2.92Å; E908-I910 PolarHBondContact O-N 2.84Å | ||
| 909 | L | 41 | Very low | 45.2 | Very low | 102.5 Ų | 102.5 | 96.9 Ų | 96.9 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | trans | -82.7 | 107.6 | 168.2 | -98.2 | 126.9 | 0 | 0 | 0 | 109.3 | D907 N911 A1076 | D907-L909 VanDerWaalsContact C-N 3.32Å; D907-L909 PolarHBondContact O-N 3.26Å; L909-N911 PolarHBondContact O-N 3.31Å; L909-N911 VanDerWaalsContact O-N 3.08Å; L909-A1076 HydrophobicContact CD1-CB 3.66Å; L909-A1076 HydrophobicContact CD2-CB 3.73Å; L909-A1076 HydrophobicContact CG-CB 4.05Å | ||
| 910 | I | 50.7 | Low | 47.3 | Very low | 87.25 Ų | 87.25 | 90.4 Ų | 90.4 | 45% | 0.447 | 51% | 0.506 | S | S | . | . | trans | -50.2 | 121.4 | 172.9 | -63.6 | 169.4 | 0 | 0 | 0 | 108.6 | P898 M899 E908 I912 F915 L1057 | P898-I910 HydrophobicContact CB-CG1 4.24Å; M899-I910 HydrophobicContact CE-CD1 3.41Å; M899-I910 VanDerWaalsContact CE-CD1 3.41Å; M899-I910 HydrophobicContact CG-CD1 3.79Å; M899-I910 HydrophobicContact SD-CD1 4.44Å; E908-I910 PolarHBondContact O-N 2.84Å; I910-I912 PolarHBondContact O-N 2.88Å; I910-I912 VanDerWaalsContact O-N 3.15Å; I910-F915 HydrophobicContact CG2-CB 4.16Å; I910-F915 HydrophobicContact CG2-CD2 4.39Å; I910-L1057 HydrophobicContact CD1-CD1 4.45Å; I910-L1057 HydrophobicContact CD1-CD2 3.69Å; I910-L1057 HydrophobicContact CD1-CG 4.02Å | ||
| 911 | N | 54.3 | Low | 49.5 | Very low | 88.75 Ų | 88.75 | 87.5 Ų | 87.5 | 48% | 0.475 | 49% | 0.487 | S | S | . | . | trans | -65.3 | 108.9 | 178.2 | -174.5 | -5.1 | 0 | 0 | 0 | 109 | L909 S913 E914 F915 | L909-N911 PolarHBondContact O-N 3.31Å; L909-N911 VanDerWaalsContact O-N 3.08Å; N911-S913 VanDerWaalsContact CG-OG 3.31Å; N911-S913 PolarHBondContact ND2-OG 3.1Å; N911-S913 PolarHBondContact O-N 2.99Å; N911-S913 VanDerWaalsContact O-N 3.11Å; N911-S913 PolarHBondContact OD1-N 3.11Å; N911-S913 PolarHBondContact OD1-OG 3.16Å; N911-S913 VanDerWaalsContact OD1-OG 3.05Å; N911-E914 HydrophobicContact CB-CB 4.11Å; N911-E914 WeakPolarHBondContact O-CA 3.4Å; N911-E914 WeakPolarHBondContact O-CB 3.44Å; N911-E914 PolarHBondContact O-N 3.24Å; N911-F915 PolarHBondContact O-N 3.15Å; N911-F915 VanDerWaalsContact O-N 3.08Å | ||
| 912 | I | 62.6 | Low | 51.4 | Low | 61 Ų | 61 | 84.3 Ų | 84.3 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -55.8 | -35.5 | -174.7 | -61.8 | 172.4 | 0 | 0 | 0 | 110.9 | I910 E914 F915 F916 L1045 | I910-I912 PolarHBondContact O-N 2.88Å; I910-I912 VanDerWaalsContact O-N 3.15Å; I912-E914 VanDerWaalsContact C-N 3.33Å; I912-E914 PolarHBondContact O-N 3.28Å; I912-F915 PolarHBondContact O-N 3.04Å; I912-F916 HydrophobicContact CG2-CD2 3.69Å; I912-F916 HydrophobicContact CG2-CE2 3.71Å; I912-F916 VanDerWaalsContact O-CD2 3.25Å; I912-F916 WeakPolarHBondContact O-CD2 3.43Å; I912-F916 PolarHBondContact O-N 3.14Å; I912-L1045 HydrophobicContact CD1-CD2 4.46Å |
| 913 | S | 60.3 | Low | 53.4 | Low | 79.25 Ų | 79.25 | 80.4 Ų | 80.4 | 55% | 0.554 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 178.1 | 62.4 | 0 | 0 | 0 | 0 | 113 | N911 A917 | N911-S913 VanDerWaalsContact CG-OG 3.31Å; N911-S913 PolarHBondContact ND2-OG 3.1Å; N911-S913 PolarHBondContact O-N 2.99Å; N911-S913 VanDerWaalsContact O-N 3.11Å; N911-S913 PolarHBondContact OD1-N 3.11Å; N911-S913 PolarHBondContact OD1-OG 3.16Å; N911-S913 VanDerWaalsContact OD1-OG 3.05Å; S913-A917 WeakPolarHBondContact O-CB 3.41Å; S913-A917 PolarHBondContact O-N 3.08Å |
| 914 | E | 61.3 | Low | 55.5 | Low | 102.5 Ų | 102.5 | 75.7 Ų | 75.7 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 175.8 | -171.1 | 174.8 | -175.3 | 0 | 0 | 111 | N911 I912 F916 A917 T918 H1395 | N911-E914 HydrophobicContact CB-CB 4.11Å; N911-E914 WeakPolarHBondContact O-CA 3.4Å; N911-E914 WeakPolarHBondContact O-CB 3.44Å; N911-E914 PolarHBondContact O-N 3.24Å; I912-E914 VanDerWaalsContact C-N 3.33Å; I912-E914 PolarHBondContact O-N 3.28Å; E914-F916 VanDerWaalsContact C-N 3.32Å; E914-F916 PolarHBondContact O-N 3.01Å; E914-A917 PolarHBondContact O-N 3.24Å; E914-T918 VanDerWaalsContact O-CB 3.28Å; E914-T918 WeakPolarHBondContact O-CB 3.38Å; E914-T918 PolarHBondContact O-N 2.97Å; E914-T918 PolarHBondContact O-OG1 3.05Å; E914-T918 VanDerWaalsContact O-OG1 3.05Å; E914-H1395 IonicContact OE1-CE1 3.31Å; E914-H1395 IonicContact OE1-NE2 2.86Å |
| 915 | F | 65.6 | Low | 57.5 | Low | 31.75 Ų | 31.75 | 72.7 Ų | 72.7 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 173.4 | -179.1 | -90.5 | 0 | 0 | 0 | 111.8 | I910 N911 I912 T918 Y919 V920 I1046 F1048 I1052 T1055 L1057 | I910-F915 HydrophobicContact CG2-CB 4.16Å; I910-F915 HydrophobicContact CG2-CD2 4.39Å; N911-F915 PolarHBondContact O-N 3.15Å; N911-F915 VanDerWaalsContact O-N 3.08Å; I912-F915 PolarHBondContact O-N 3.04Å; F915-T918 PolarHBondContact O-N 3.4Å; F915-Y919 HydrophobicContact CB-CD2 4.39Å; F915-Y919 HydrophobicContact CD1-CD2 4.47Å; F915-Y919 AromaticContact CD2-CD2 3.45Å; F915-Y919 HydrophobicContact CD2-CD2 3.45Å; F915-Y919 VanDerWaalsContact CD2-CD2 3.46Å; F915-Y919 AromaticContact CD2-CE2 3.91Å; F915-Y919 HydrophobicContact CD2-CE2 3.95Å; F915-Y919 HydrophobicContact CD2-CG 4.41Å; F915-Y919 AromaticContact CE2-CD2 3.68Å; F915-Y919 HydrophobicContact CE2-CD2 3.68Å; F915-Y919 HydrophobicContact CE2-CE2 4.27Å; F915-Y919 HydrophobicContact CE2-CG 4.27Å; F915-Y919 AromaticContact CG-CD2 3.87Å; F915-Y919 HydrophobicContact CG-CD2 4.05Å; F915-Y919 HydrophobicContact CZ-CD2 4.3Å; F915-Y919 WeakPolarHBondContact O-CB 3.41Å; F915-Y919 WeakPolarHBondContact O-CD2 3.4Å; F915-Y919 PolarHBondContact O-N 3.19Å; F915-Y919 VanDerWaalsContact O-N 3.08Å; F915-V920 HydrophobicContact CD1-CG2 3.98Å; F915-V920 HydrophobicContact CE1-CG2 3.65Å; F915-V920 VanDerWaalsContact CE1-CG2 3.5Å; F915-V920 HydrophobicContact CZ-CG2 4.38Å; F915-V920 PolarHBondContact O-N 2.99Å; F915-I1046 HydrophobicContact CD1-CG2 4.16Å; F915-I1046 HydrophobicContact CE1-CB 4.5Å; F915-I1046 HydrophobicContact CE1-CG2 3.52Å; F915-I1046 HydrophobicContact CZ-CG2 4.38Å; F915-F1048 AromaticContact CE1-CE2 3.95Å; F915-F1048 HydrophobicContact CE1-CE2 4.1Å; F915-F1048 HydrophobicContact CZ-CD2 4.25Å; F915-F1048 AromaticContact CZ-CE2 3.78Å; F915-F1048 HydrophobicContact CZ-CE2 4Å; F915-F1048 HydrophobicContact CZ-CZ 4.38Å; F915-I1052 HydrophobicContact CE2-CD1 4.41Å; F915-I1052 HydrophobicContact CZ-CD1 4.1Å; F915-T1055 HydrophobicContact CE2-CG2 4.49Å; F915-L1057 HydrophobicContact CD2-CD1 4.37Å; F915-L1057 HydrophobicContact CE2-CD1 3.81Å; F915-L1057 HydrophobicContact CE2-CD2 4.26Å; F915-L1057 HydrophobicContact CZ-CD1 4.35Å; F915-L1057 HydrophobicContact CZ-CD2 4.12Å |
| 916 | F | 69.5 | Low | 59.4 | Low | 19.75 Ų | 19.75 | 71.7 Ų | 71.7 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -64.3 | -44.4 | 175.9 | -91.5 | -100 | 0 | 0 | 0 | 112.2 | I912 E914 T918 V920 N921 A1004 A1008 I1044 I1046 | I912-F916 HydrophobicContact CG2-CD2 3.69Å; I912-F916 HydrophobicContact CG2-CE2 3.71Å; I912-F916 VanDerWaalsContact O-CD2 3.25Å; I912-F916 WeakPolarHBondContact O-CD2 3.43Å; I912-F916 PolarHBondContact O-N 3.14Å; E914-F916 VanDerWaalsContact C-N 3.32Å; E914-F916 PolarHBondContact O-N 3.01Å; F916-T918 VanDerWaalsContact C-N 3.34Å; F916-T918 PolarHBondContact O-N 3.07Å; F916-V920 HydrophobicContact CB-CB 4.5Å; F916-V920 HydrophobicContact CD1-CB 3.91Å; F916-V920 HydrophobicContact CD1-CG1 3.92Å; F916-V920 HydrophobicContact CD1-CG2 4.11Å; F916-V920 HydrophobicContact CD2-CG2 4.46Å; F916-V920 HydrophobicContact CE1-CB 4.39Å; F916-V920 HydrophobicContact CE1-CG1 4.06Å; F916-V920 HydrophobicContact CE1-CG2 4.39Å; F916-V920 HydrophobicContact CG-CB 4.3Å; F916-V920 HydrophobicContact CG-CG2 4.2Å; F916-V920 PolarHBondContact O-N 3.15Å; F916-V920 VanDerWaalsContact O-N 3.12Å; F916-N921 WeakPolarHBondContact O-CB 3.35Å; F916-N921 PolarHBondContact O-N 3.16Å; F916-N921 PolarHBondContact O-ND2 3.04Å; F916-N921 PolarHBondContact O-OD1 3.17Å; F916-A1004 HydrophobicContact CE1-CB 3.87Å; F916-A1004 HydrophobicContact CZ-CB 4.21Å; F916-A1008 HydrophobicContact CD1-CB 4.44Å; F916-A1008 HydrophobicContact CE1-CB 4.01Å; F916-A1008 HydrophobicContact CZ-CB 4.24Å; F916-I1044 HydrophobicContact CE1-CD1 4.4Å; F916-I1044 HydrophobicContact CE2-CB 4.4Å; F916-I1044 HydrophobicContact CE2-CG2 4.42Å; F916-I1044 HydrophobicContact CZ-CB 3.91Å; F916-I1044 HydrophobicContact CZ-CD1 4.01Å; F916-I1044 HydrophobicContact CZ-CG1 4.37Å; F916-I1044 HydrophobicContact CZ-CG2 3.81Å; F916-I1046 HydrophobicContact CE1-CD1 4.21Å; F916-I1046 HydrophobicContact CE2-CD1 4.31Å; F916-I1046 HydrophobicContact CE2-CG2 4.23Å; F916-I1046 HydrophobicContact CZ-CD1 3.76Å; F916-I1046 HydrophobicContact CZ-CG1 4.44Å; F916-I1046 HydrophobicContact CZ-CG2 4.22Å |
| 917 | A | 63.3 | Low | 61.6 | Low | 50.75 Ų | 50.75 | 65.8 Ų | 65.8 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -62.9 | -42.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S913 E914 | S913-A917 WeakPolarHBondContact O-CB 3.41Å; S913-A917 PolarHBondContact O-N 3.08Å; E914-A917 PolarHBondContact O-N 3.24Å |
| 918 | T | 59.2 | Low | 63.5 | Low | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -82.5 | -42 | -173.3 | -52 | 0 | 0 | 0 | 0 | 112.6 | E914 F915 F916 P922 T1055 H1395 | E914-T918 VanDerWaalsContact O-CB 3.28Å; E914-T918 WeakPolarHBondContact O-CB 3.38Å; E914-T918 PolarHBondContact O-N 2.97Å; E914-T918 PolarHBondContact O-OG1 3.05Å; E914-T918 VanDerWaalsContact O-OG1 3.05Å; F915-T918 PolarHBondContact O-N 3.4Å; F916-T918 VanDerWaalsContact C-N 3.34Å; F916-T918 PolarHBondContact O-N 3.07Å; T918-P922 WeakPolarHBondContact O-CG 3.22Å; T918-T1055 WeakPolarHBondContact O-CG2 3.39Å; T918-H1395 PolarHBondContact OG1-CE1 3.5Å; T918-H1395 PolarHBondContact OG1-NE2 3.29Å |
| 919 | Y | 66.5 | Low | 65.2 | Low | 60 Ų | 60 | 57.8 Ų | 57.8 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -112.4 | -41.3 | -168.6 | -53.6 | -70.6 | 0 | 0 | 0 | 113.6 | F915 I923 T1055 L1057 | F915-Y919 HydrophobicContact CB-CD2 4.39Å; F915-Y919 HydrophobicContact CD1-CD2 4.47Å; F915-Y919 AromaticContact CD2-CD2 3.45Å; F915-Y919 HydrophobicContact CD2-CD2 3.45Å; F915-Y919 VanDerWaalsContact CD2-CD2 3.46Å; F915-Y919 AromaticContact CD2-CE2 3.91Å; F915-Y919 HydrophobicContact CD2-CE2 3.95Å; F915-Y919 HydrophobicContact CD2-CG 4.41Å; F915-Y919 AromaticContact CE2-CD2 3.68Å; F915-Y919 HydrophobicContact CE2-CD2 3.68Å; F915-Y919 HydrophobicContact CE2-CE2 4.27Å; F915-Y919 HydrophobicContact CE2-CG 4.27Å; F915-Y919 AromaticContact CG-CD2 3.87Å; F915-Y919 HydrophobicContact CG-CD2 4.05Å; F915-Y919 HydrophobicContact CZ-CD2 4.3Å; F915-Y919 WeakPolarHBondContact O-CB 3.41Å; F915-Y919 WeakPolarHBondContact O-CD2 3.4Å; F915-Y919 PolarHBondContact O-N 3.19Å; F915-Y919 VanDerWaalsContact O-N 3.08Å; Y919-I923 VanDerWaalsContact O-CD1 3.23Å; Y919-I923 WeakPolarHBondContact O-CD1 3.37Å; Y919-I923 VanDerWaalsContact O-CG1 3.28Å; Y919-I923 WeakPolarHBondContact O-CG1 3.36Å; Y919-T1055 HydrophobicContact CD1-CG2 3.36Å; Y919-T1055 WeakPolarHBondContact CD1-O 3.41Å; Y919-T1055 WeakPolarHBondContact CD1-OG1 3.23Å; Y919-T1055 HydrophobicContact CD2-CG2 3.68Å; Y919-T1055 HydrophobicContact CE1-CG2 3.34Å; Y919-T1055 VanDerWaalsContact CE1-O 3.28Å; Y919-T1055 WeakPolarHBondContact CE1-O 3.44Å; Y919-T1055 HydrophobicContact CE2-CG2 3.66Å; Y919-T1055 HydrophobicContact CG-CG2 3.51Å; Y919-T1055 VanDerWaalsContact CZ-CG2 3.47Å; Y919-T1055 WeakPolarHBondContact O-CG2 3.26Å; Y919-L1057 HydrophobicContact CD1-CB 3.85Å; Y919-L1057 HydrophobicContact CD1-CD1 4.09Å; Y919-L1057 HydrophobicContact CD1-CG 4.39Å; Y919-L1057 HydrophobicContact CD2-CD1 4.36Å; Y919-L1057 HydrophobicContact CE1-CB 4.13Å; Y919-L1057 HydrophobicContact CE1-CD1 4.08Å; Y919-L1057 HydrophobicContact CE2-CD1 4.35Å; Y919-L1057 HydrophobicContact CG-CB 4.36Å; Y919-L1057 HydrophobicContact CG-CD1 4.24Å |
| 920 | V | 69.8 | Low | 67.1 | Low | 0.75 Ų | 0.75 | 57.3 Ų | 57.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -84.2 | -45.1 | -172.8 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | F915 F916 I923 A924 A1001 A1004 M1005 I1046 F1048 | F915-V920 HydrophobicContact CD1-CG2 3.98Å; F915-V920 HydrophobicContact CE1-CG2 3.65Å; F915-V920 VanDerWaalsContact CE1-CG2 3.5Å; F915-V920 HydrophobicContact CZ-CG2 4.38Å; F915-V920 PolarHBondContact O-N 2.99Å; F916-V920 HydrophobicContact CB-CB 4.5Å; F916-V920 HydrophobicContact CD1-CB 3.91Å; F916-V920 HydrophobicContact CD1-CG1 3.92Å; F916-V920 HydrophobicContact CD1-CG2 4.11Å; F916-V920 HydrophobicContact CD2-CG2 4.46Å; F916-V920 HydrophobicContact CE1-CB 4.39Å; F916-V920 HydrophobicContact CE1-CG1 4.06Å; F916-V920 HydrophobicContact CE1-CG2 4.39Å; F916-V920 HydrophobicContact CG-CB 4.3Å; F916-V920 HydrophobicContact CG-CG2 4.2Å; F916-V920 PolarHBondContact O-N 3.15Å; F916-V920 VanDerWaalsContact O-N 3.12Å; V920-I923 PolarHBondContact O-N 3.3Å; V920-A924 VanDerWaalsContact O-CB 3.27Å; V920-A924 WeakPolarHBondContact O-CB 3.36Å; V920-A924 PolarHBondContact O-N 3.29Å; V920-A1001 HydrophobicContact CG1-CB 3.87Å; V920-A1001 WeakPolarHBondContact CG1-O 3.47Å; V920-A1004 HydrophobicContact CG1-CB 4.28Å; V920-M1005 HydrophobicContact CG1-CG 4.46Å; V920-I1046 HydrophobicContact CG1-CD1 4.34Å; V920-I1046 HydrophobicContact CG2-CD1 4.16Å; V920-I1046 HydrophobicContact CG2-CG2 4.44Å; V920-F1048 HydrophobicContact CG2-CE2 4.35Å; V920-F1048 HydrophobicContact CG2-CZ 4.44Å |
| 921 | N | 72.3 | Confident | 68.5 | Low | 50.5 Ų | 50.5 | 53.6 Ų | 53.6 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | -173.5 | -72.9 | -8.3 | 0 | 0 | 0 | 113.9 | F916 I923 A924 C925 M1005 | F916-N921 WeakPolarHBondContact O-CB 3.35Å; F916-N921 PolarHBondContact O-N 3.16Å; F916-N921 PolarHBondContact O-ND2 3.04Å; F916-N921 PolarHBondContact O-OD1 3.17Å; N921-I923 VanDerWaalsContact C-N 3.33Å; N921-I923 PolarHBondContact O-N 3.26Å; N921-A924 PolarHBondContact O-N 3Å; N921-C925 PolarHBondContact O-N 3.27Å; N921-C925 PolarHBondContact O-SG 3.25Å; N921-M1005 HydrophobicContact CB-CE 3.95Å; N921-M1005 HydrophobicContact CB-SD 4.27Å; N921-M1005 VanDerWaalsContact OD1-CE 3.24Å; N921-M1005 WeakPolarHBondContact OD1-CE 3.31Å; N921-M1005 WeakPolarHBondContact OD1-CG 3.37Å; N921-M1005 PolarHBondContact OD1-SD 3.19Å |
| 922 | P | 65.6 | Low | 69.7 | Low | 53.75 Ų | 53.75 | 51.6 Ų | 51.6 | 35% | 0.349 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 178.9 | -25.1 | 35.8 | 0 | 0 | 0 | 112.8 | T918 C925 T1055 | T918-P922 WeakPolarHBondContact O-CG 3.22Å; P922-C925 PolarHBondContact O-N 3.02Å; P922-T1055 HydrophobicContact CB-CG2 4.37Å; P922-T1055 HydrophobicContact CG-CG2 4.42Å |
| 923 | I | 69 | Low | 70.6 | Confident | 20.25 Ų | 20.25 | 53.9 Ų | 53.9 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.7 | -41.7 | -179.4 | -54.1 | 169.5 | 0 | 0 | 0 | 110.8 | Y919 V920 N921 C925 D926 T997 V998 A1001 I1052 T1055 | Y919-I923 VanDerWaalsContact O-CD1 3.23Å; Y919-I923 WeakPolarHBondContact O-CD1 3.37Å; Y919-I923 VanDerWaalsContact O-CG1 3.28Å; Y919-I923 WeakPolarHBondContact O-CG1 3.36Å; V920-I923 PolarHBondContact O-N 3.3Å; N921-I923 VanDerWaalsContact C-N 3.33Å; N921-I923 PolarHBondContact O-N 3.26Å; I923-C925 VanDerWaalsContact C-N 3.29Å; I923-C925 PolarHBondContact O-N 3.12Å; I923-D926 WeakPolarHBondContact O-CB 3.26Å; I923-D926 PolarHBondContact O-N 3.27Å; I923-D926 VanDerWaalsContact O-N 3.12Å; I923-T997 HydrophobicContact CG2-CG2 4.43Å; I923-V998 HydrophobicContact CG2-CB 4.36Å; I923-V998 HydrophobicContact CG2-CG2 3.78Å; I923-A1001 HydrophobicContact CB-CB 4.25Å; I923-A1001 HydrophobicContact CG2-CB 4.14Å; I923-I1052 HydrophobicContact CD1-CB 4.32Å; I923-I1052 HydrophobicContact CD1-CD1 3.42Å; I923-I1052 VanDerWaalsContact CD1-CD1 3.46Å; I923-I1052 HydrophobicContact CD1-CG1 4.08Å; I923-I1052 HydrophobicContact CD1-CG2 3.43Å; I923-I1052 VanDerWaalsContact CD1-CG2 3.44Å; I923-I1052 HydrophobicContact CG1-CG2 4.34Å; I923-T1055 HydrophobicContact CD1-CG2 4.07Å; I923-T1055 HydrophobicContact CG1-CG2 3.95Å |
| 924 | A | 71.7 | Confident | 71.7 | Confident | 5.25 Ų | 5.25 | 53.1 Ų | 53.1 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -23.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V920 N921 D926 I927 A1001 A1002 M1005 | V920-A924 VanDerWaalsContact O-CB 3.27Å; V920-A924 WeakPolarHBondContact O-CB 3.36Å; V920-A924 PolarHBondContact O-N 3.29Å; N921-A924 PolarHBondContact O-N 3Å; A924-D926 VanDerWaalsContact C-N 3.32Å; A924-D926 PolarHBondContact O-N 3.26Å; A924-I927 VanDerWaalsContact O-CG2 3.25Å; A924-I927 WeakPolarHBondContact O-CG2 3.4Å; A924-I927 PolarHBondContact O-N 3.46Å; A924-A1001 HydrophobicContact CB-CB 4.11Å; A924-A1002 HydrophobicContact CB-CB 4.27Å; A924-M1005 HydrophobicContact CB-CB 4.29Å; A924-M1005 HydrophobicContact CB-CE 3.41Å; A924-M1005 HydrophobicContact CB-CG 3.85Å; A924-M1005 HydrophobicContact CB-SD 4.32Å |
| 925 | C | 71.2 | Confident | 72.6 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19 | 175.2 | -71.7 | 0 | 0 | 0 | 0 | 113.8 | N921 P922 I923 I927 | N921-C925 PolarHBondContact O-N 3.27Å; N921-C925 PolarHBondContact O-SG 3.25Å; P922-C925 PolarHBondContact O-N 3.02Å; I923-C925 VanDerWaalsContact C-N 3.29Å; I923-C925 PolarHBondContact O-N 3.12Å; C925-I927 VanDerWaalsContact C-N 3.29Å; C925-I927 PolarHBondContact O-N 3.15Å |
| 926 | D | 69.9 | Low | 73.4 | Confident | 120 Ų | 120 | 48.7 Ų | 48.7 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -5.4 | -178.1 | -66.1 | -27 | 0 | 0 | 0 | 113.5 | I923 A924 V998 K1392 | I923-D926 WeakPolarHBondContact O-CB 3.26Å; I923-D926 PolarHBondContact O-N 3.27Å; I923-D926 VanDerWaalsContact O-N 3.12Å; A924-D926 VanDerWaalsContact C-N 3.32Å; A924-D926 PolarHBondContact O-N 3.26Å; D926-V998 HydrophobicContact CB-CG1 4.37Å; D926-K1392 IonicContact OD1-NZ 3.79Å; D926-K1392 PolarHBondContact OD1-NZ 3.49Å; D926-K1392 IonicContact OD2-NZ 2.99Å; D926-K1392 PolarHBondContact OD2-NZ 3.39Å |
| 927 | I | 76.9 | Confident | 73.9 | Confident | 22.75 Ų | 22.75 | 53.1 Ų | 53.1 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -74.4 | 139.9 | -178.6 | -159.4 | 167.5 | 0 | 0 | 0 | 112 | A924 C925 H931 L932 V998 A1002 | A924-I927 VanDerWaalsContact O-CG2 3.25Å; A924-I927 WeakPolarHBondContact O-CG2 3.4Å; A924-I927 PolarHBondContact O-N 3.46Å; C925-I927 VanDerWaalsContact C-N 3.29Å; C925-I927 PolarHBondContact O-N 3.15Å; I927-H931 HydrophobicContact CD1-CB 4.15Å; I927-H931 HydrophobicContact CG1-CB 3.87Å; I927-L932 HydrophobicContact CD1-CB 4.28Å; I927-L932 HydrophobicContact CD1-CD1 4.43Å; I927-L932 HydrophobicContact CG1-CB 4.45Å; I927-L932 HydrophobicContact CG2-CB 4.03Å; I927-L932 HydrophobicContact CG2-CD1 4.43Å; I927-L932 HydrophobicContact CG2-CD2 4.41Å; I927-L932 HydrophobicContact CG2-CG 4.48Å; I927-V998 HydrophobicContact CB-CG1 3.8Å; I927-V998 HydrophobicContact CG1-CG1 4.27Å; I927-A1002 HydrophobicContact CB-CB 4.04Å; I927-A1002 HydrophobicContact CD1-CB 3.56Å; I927-A1002 VanDerWaalsContact CD1-CB 3.46Å; I927-A1002 HydrophobicContact CG1-CB 4.4Å; I927-A1002 HydrophobicContact CG2-CB 3.73Å |
| 928 | S | 74 | Confident | 74.8 | Confident | 24.5 Ų | 24.5 | 51.5 Ų | 51.5 | 17% | 0.171 | 28% | 0.279 | C | S | . | . | trans | -68.6 | 143.9 | 170.8 | 83.6 | 0 | 0 | 0 | 0 | 111 | R930 H931 L932 E1197 | S928-R930 PolarHBondContact O-N 3.05Å; S928-R930 VanDerWaalsContact O-N 3.14Å; S928-H931 PolarHBondContact O-N 3.12Å; S928-H931 VanDerWaalsContact O-N 3.11Å; S928-H931 VanDerWaalsContact OG-CB 3.29Å; S928-H931 WeakPolarHBondContact OG-CB 3.41Å; S928-H931 PolarHBondContact OG-CD2 3.21Å; S928-H931 VanDerWaalsContact OG-CD2 3.28Å; S928-H931 PolarHBondContact OG-N 3.03Å; S928-H931 VanDerWaalsContact OG-N 3.11Å; S928-H931 PolarHBondContact OG-ND1 3.36Å; S928-L932 PolarHBondContact O-N 3.24Å; S928-E1197 PolarHBondContact OG-OE1 3.04Å | ||
| 929 | P | 74.8 | Confident | 75.8 | Confident | 94.75 Ų | 94.75 | 49.2 Ų | 49.2 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.8 | -33.5 | 177.4 | -28 | 35.7 | 0 | 0 | 0 | 113.6 | L933 | P929-L933 WeakPolarHBondContact O-CB 3.35Å; P929-L933 WeakPolarHBondContact O-CD1 3.45Å; P929-L933 WeakPolarHBondContact O-CG 3.34Å; P929-L933 PolarHBondContact O-N 3.23Å; P929-L933 VanDerWaalsContact O-N 3.1Å |
| 930 | R | 79.4 | Confident | 76.3 | Confident | 91.75 Ų | 91.75 | 50 Ų | 50 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 175.1 | -176.7 | 179.9 | 72 | 119.6 | 0 | 111.4 | S928 L933 N934 Q1192 T1194 E1197 | S928-R930 PolarHBondContact O-N 3.05Å; S928-R930 VanDerWaalsContact O-N 3.14Å; R930-L933 PolarHBondContact O-N 3.19Å; R930-N934 WeakPolarHBondContact O-CB 3.49Å; R930-N934 VanDerWaalsContact O-CG 3.26Å; R930-N934 PolarHBondContact O-N 3.15Å; R930-N934 VanDerWaalsContact O-N 3.11Å; R930-N934 PolarHBondContact O-ND2 3.17Å; R930-N934 PolarHBondContact O-OD1 3.42Å; R930-Q1192 PolarHBondContact NH2-O 3.28Å; R930-T1194 VanDerWaalsContact NH1-CG2 3.27Å; R930-E1197 IonicContact CZ-OE1 3.56Å; R930-E1197 IonicContact CZ-OE2 3.08Å; R930-E1197 IonicContact NE-OE1 3.14Å; R930-E1197 PolarHBondContact NE-OE1 3.2Å; R930-E1197 IonicContact NE-OE2 3.03Å; R930-E1197 VanDerWaalsContact NH2-CD 3.33Å; R930-E1197 IonicContact NH2-OE1 3.25Å; R930-E1197 PolarHBondContact NH2-OE1 3.32Å; R930-E1197 VanDerWaalsContact NH2-OE1 3.09Å; R930-E1197 IonicContact NH2-OE2 3.24Å; R930-E1197 PolarHBondContact NH2-OE2 3.21Å |
| 931 | H | 80.3 | Confident | 76.6 | Confident | 8.75 Ų | 8.75 | 52.9 Ų | 52.9 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | -179.5 | -70.6 | -176.3 | 0 | 0 | 0 | 111.8 | I927 S928 L933 N934 I935 H999 P1191 E1197 | I927-H931 HydrophobicContact CD1-CB 4.15Å; I927-H931 HydrophobicContact CG1-CB 3.87Å; S928-H931 PolarHBondContact O-N 3.12Å; S928-H931 VanDerWaalsContact O-N 3.11Å; S928-H931 VanDerWaalsContact OG-CB 3.29Å; S928-H931 WeakPolarHBondContact OG-CB 3.41Å; S928-H931 PolarHBondContact OG-CD2 3.21Å; S928-H931 VanDerWaalsContact OG-CD2 3.28Å; S928-H931 PolarHBondContact OG-N 3.03Å; S928-H931 VanDerWaalsContact OG-N 3.11Å; S928-H931 PolarHBondContact OG-ND1 3.36Å; H931-L933 VanDerWaalsContact C-N 3.34Å; H931-L933 PolarHBondContact O-N 3.06Å; H931-N934 PolarHBondContact O-N 3.07Å; H931-I935 WeakPolarHBondContact O-CG2 3.36Å; H931-I935 PolarHBondContact O-N 3.2Å; H931-H999 WeakPolarHBondContact CB-NE2 3.37Å; H931-H999 AromaticContact CG-NE2 3.78Å; H931-H999 AromaticContact ND1-CE1 3.7Å; H931-H999 PolarHBondContact ND1-CE1 3.44Å; H931-H999 AromaticContact ND1-NE2 3.7Å; H931-H999 PolarHBondContact ND1-NE2 2.96Å; H931-P1191 PolarHBondContact CE1-O 2.92Å; H931-P1191 PolarHBondContact NE2-O 3.11Å; H931-E1197 IonicContact CD2-OE1 3.55Å; H931-E1197 IonicContact NE2-OE1 3.32Å; H931-E1197 IonicContact NE2-OE2 3.55Å |
| 932 | L | 81 | Confident | 76.6 | Confident | 47.75 Ų | 47.75 | 51.4 Ų | 51.4 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.3 | -179.4 | 59.1 | 0 | 0 | 0 | 112.2 | I927 S928 N934 I935 Q936 A1002 | I927-L932 HydrophobicContact CD1-CB 4.28Å; I927-L932 HydrophobicContact CD1-CD1 4.43Å; I927-L932 HydrophobicContact CG1-CB 4.45Å; I927-L932 HydrophobicContact CG2-CB 4.03Å; I927-L932 HydrophobicContact CG2-CD1 4.43Å; I927-L932 HydrophobicContact CG2-CD2 4.41Å; I927-L932 HydrophobicContact CG2-CG 4.48Å; S928-L932 PolarHBondContact O-N 3.24Å; L932-N934 VanDerWaalsContact C-N 3.35Å; L932-N934 PolarHBondContact O-N 3.4Å; L932-I935 HydrophobicContact CD1-CG2 4.44Å; L932-I935 VanDerWaalsContact O-CG2 3.25Å; L932-I935 WeakPolarHBondContact O-CG2 3.36Å; L932-I935 PolarHBondContact O-N 3.05Å; L932-Q936 HydrophobicContact CD1-CG 4.32Å; L932-Q936 WeakPolarHBondContact O-CB 3.36Å; L932-Q936 VanDerWaalsContact O-CG 3.25Å; L932-Q936 WeakPolarHBondContact O-CG 3.36Å; L932-Q936 PolarHBondContact O-N 3.22Å; L932-Q936 VanDerWaalsContact O-N 3.09Å; L932-A1002 HydrophobicContact CD1-CB 4.06Å |
| 933 | L | 80.7 | Confident | 76.8 | Confident | 109.5 Ų | 109.5 | 50.7 Ų | 50.7 | 57% | 0.573 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 176.9 | -93.5 | 154.5 | 0 | 0 | 0 | 111.9 | P929 R930 H931 Q936 H937 | P929-L933 WeakPolarHBondContact O-CB 3.35Å; P929-L933 WeakPolarHBondContact O-CD1 3.45Å; P929-L933 WeakPolarHBondContact O-CG 3.34Å; P929-L933 PolarHBondContact O-N 3.23Å; P929-L933 VanDerWaalsContact O-N 3.1Å; R930-L933 PolarHBondContact O-N 3.19Å; H931-L933 VanDerWaalsContact C-N 3.34Å; H931-L933 PolarHBondContact O-N 3.06Å; L933-Q936 PolarHBondContact O-N 3.03Å; L933-H937 WeakPolarHBondContact O-CB 3.36Å; L933-H937 PolarHBondContact O-N 3.31Å |
| 934 | N | 82.8 | Confident | 76.2 | Confident | 62.5 Ų | 62.5 | 51.7 Ų | 51.7 | 33% | 0.334 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 179 | -72.7 | -10.8 | 0 | 0 | 0 | 112.3 | R930 H931 L932 H937 A938 Y1188 | R930-N934 WeakPolarHBondContact O-CB 3.49Å; R930-N934 VanDerWaalsContact O-CG 3.26Å; R930-N934 PolarHBondContact O-N 3.15Å; R930-N934 VanDerWaalsContact O-N 3.11Å; R930-N934 PolarHBondContact O-ND2 3.17Å; R930-N934 PolarHBondContact O-OD1 3.42Å; H931-N934 PolarHBondContact O-N 3.07Å; L932-N934 VanDerWaalsContact C-N 3.35Å; L932-N934 PolarHBondContact O-N 3.4Å; N934-H937 WeakPolarHBondContact O-CB 3.26Å; N934-H937 PolarHBondContact O-N 3.04Å; N934-A938 PolarHBondContact O-N 3.45Å; N934-Y1188 HydrophobicContact CB-CE2 4.08Å; N934-Y1188 VanDerWaalsContact CB-OH 3.3Å; N934-Y1188 WeakPolarHBondContact CB-OH 3.23Å |
| 935 | I | 81.7 | Confident | 75 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 179.7 | -162.4 | 166.3 | 0 | 0 | 0 | 112 | H931 L932 H937 A938 F939 I988 H999 L1003 Y1188 | H931-I935 WeakPolarHBondContact O-CG2 3.36Å; H931-I935 PolarHBondContact O-N 3.2Å; L932-I935 HydrophobicContact CD1-CG2 4.44Å; L932-I935 VanDerWaalsContact O-CG2 3.25Å; L932-I935 WeakPolarHBondContact O-CG2 3.36Å; L932-I935 PolarHBondContact O-N 3.05Å; I935-H937 VanDerWaalsContact C-N 3.3Å; I935-H937 PolarHBondContact O-N 3.02Å; I935-A938 PolarHBondContact O-N 3.02Å; I935-F939 WeakPolarHBondContact O-CB 3.35Å; I935-F939 PolarHBondContact O-N 3.11Å; I935-I988 HydrophobicContact CD1-CD1 3.52Å; I935-I988 VanDerWaalsContact CD1-CD1 3.43Å; I935-I988 HydrophobicContact CD1-CG1 3.99Å; I935-I988 HydrophobicContact CG1-CD1 4.43Å; I935-H999 HydrophobicContact CD1-CB 3.75Å; I935-H999 WeakPolarHBondContact CD1-O 3.11Å; I935-L1003 HydrophobicContact CD1-CB 4.23Å; I935-L1003 HydrophobicContact CD1-CD2 4.25Å; I935-L1003 HydrophobicContact CG1-CB 4.44Å; I935-L1003 HydrophobicContact CG1-CD1 4.36Å; I935-L1003 HydrophobicContact CG1-CD2 4.23Å; I935-L1003 HydrophobicContact CG2-CD1 4.3Å; I935-Y1188 HydrophobicContact CB-CE1 4.28Å; I935-Y1188 HydrophobicContact CD1-CD1 4.44Å; I935-Y1188 HydrophobicContact CD1-CE1 4.37Å; I935-Y1188 HydrophobicContact CG1-CD1 4.28Å; I935-Y1188 HydrophobicContact CG1-CE1 4.28Å |
| 936 | Q | 82 | Confident | 73.1 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 171 | -75.5 | 175.8 | -5.1 | 0 | 0 | 111.5 | L932 L933 F939 K940 S1006 L1039 | L932-Q936 HydrophobicContact CD1-CG 4.32Å; L932-Q936 WeakPolarHBondContact O-CB 3.36Å; L932-Q936 VanDerWaalsContact O-CG 3.25Å; L932-Q936 WeakPolarHBondContact O-CG 3.36Å; L932-Q936 PolarHBondContact O-N 3.22Å; L932-Q936 VanDerWaalsContact O-N 3.09Å; L933-Q936 PolarHBondContact O-N 3.03Å; Q936-F939 PolarHBondContact O-N 3.49Å; Q936-K940 WeakPolarHBondContact O-CB 3.35Å; Q936-K940 VanDerWaalsContact O-CG 3.28Å; Q936-K940 WeakPolarHBondContact O-CG 3.29Å; Q936-K940 PolarHBondContact O-N 3.21Å; Q936-S1006 PolarHBondContact NE2-OG 2.92Å; Q936-L1039 HydrophobicContact CG-CD1 4.38Å |
| 937 | H | 80.5 | Confident | 71.1 | Confident | 112.5 Ų | 112.5 | 56.2 Ų | 56.2 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.9 | -171.6 | -82.4 | 0 | 0 | 0 | 111.9 | L933 N934 I935 F939 K940 T941 | L933-H937 WeakPolarHBondContact O-CB 3.36Å; L933-H937 PolarHBondContact O-N 3.31Å; N934-H937 WeakPolarHBondContact O-CB 3.26Å; N934-H937 PolarHBondContact O-N 3.04Å; I935-H937 VanDerWaalsContact C-N 3.3Å; I935-H937 PolarHBondContact O-N 3.02Å; H937-F939 VanDerWaalsContact C-N 3.34Å; H937-F939 PolarHBondContact O-N 3.09Å; H937-K940 CarbonylContact O-C 3.58Å; H937-K940 WeakPolarHBondContact O-CB 3.33Å; H937-K940 PolarHBondContact O-N 3.1Å; H937-K940 VanDerWaalsContact O-N 3.16Å; H937-T941 VanDerWaalsContact CE1-CG2 3.47Å; H937-T941 WeakPolarHBondContact CE1-CG2 3.23Å; H937-T941 PolarHBondContact CE1-OG1 3.45Å; H937-T941 PolarHBondContact ND1-OG1 3.18Å; H937-T941 WeakPolarHBondContact O-CB 3.46Å; H937-T941 WeakPolarHBondContact O-CG2 3.26Å; H937-T941 PolarHBondContact O-N 3.06Å; H937-T941 PolarHBondContact O-OG1 3.13Å |
| 938 | A | 80.8 | Confident | 68.7 | Low | 16.25 Ų | 16.25 | 58.8 Ų | 58.8 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N934 I935 K940 T941 M942 L986 Y1188 | N934-A938 PolarHBondContact O-N 3.45Å; I935-A938 PolarHBondContact O-N 3.02Å; A938-K940 VanDerWaalsContact C-N 3.35Å; A938-K940 PolarHBondContact O-N 3.38Å; A938-T941 WeakPolarHBondContact CA-OG1 3.31Å; A938-T941 WeakPolarHBondContact O-CB 3.47Å; A938-T941 PolarHBondContact O-N 3.04Å; A938-T941 PolarHBondContact O-OG1 3.24Å; A938-M942 PolarHBondContact O-N 3.13Å; A938-M942 VanDerWaalsContact O-N 3.1Å; A938-L986 HydrophobicContact CB-CD1 4.39Å; A938-Y1188 HydrophobicContact CB-CD2 3.76Å; A938-Y1188 HydrophobicContact CB-CE2 4.38Å; A938-Y1188 HydrophobicContact CB-CG 4.15Å |
| 939 | F | 81.6 | Confident | 66.4 | Low | 0.25 Ų | 0.25 | 64.2 Ų | 64.2 | 0% | 0.001 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175 | -174.4 | -91.6 | 0 | 0 | 0 | 112.7 | I935 Q936 H937 T941 M942 T943 L986 L1003 L1007 L1039 Y1042 Q1161 I1163 | I935-F939 WeakPolarHBondContact O-CB 3.35Å; I935-F939 PolarHBondContact O-N 3.11Å; Q936-F939 PolarHBondContact O-N 3.49Å; H937-F939 VanDerWaalsContact C-N 3.34Å; H937-F939 PolarHBondContact O-N 3.09Å; F939-T941 VanDerWaalsContact C-N 3.3Å; F939-T941 PolarHBondContact O-N 3.29Å; F939-M942 HydrophobicContact CD2-CE 3.96Å; F939-M942 HydrophobicContact CE2-CE 4.02Å; F939-M942 HydrophobicContact CG-CE 4.42Å; F939-M942 WeakPolarHBondContact O-CB 3.4Å; F939-M942 PolarHBondContact O-N 3.1Å; F939-T943 HydrophobicContact CD1-CG2 4.36Å; F939-T943 HydrophobicContact CE1-CG2 3.99Å; F939-T943 HydrophobicContact CE2-CG2 4.46Å; F939-T943 HydrophobicContact CZ-CG2 4.27Å; F939-T943 WeakPolarHBondContact O-CG2 3.44Å; F939-T943 PolarHBondContact O-N 3.08Å; F939-T943 VanDerWaalsContact O-N 3.1Å; F939-T943 PolarHBondContact O-OG1 3.3Å; F939-T943 VanDerWaalsContact O-OG1 3.06Å; F939-L986 HydrophobicContact CB-CD2 4.28Å; F939-L986 HydrophobicContact CD2-CD2 4.22Å; F939-L1003 HydrophobicContact CB-CD1 4.1Å; F939-L1003 HydrophobicContact CD2-CD1 4.35Å; F939-L1003 HydrophobicContact CD2-CD2 4.32Å; F939-L1003 HydrophobicContact CG-CD1 4.25Å; F939-L1007 HydrophobicContact CD1-CD2 3.99Å; F939-L1007 HydrophobicContact CE1-CD1 4.43Å; F939-L1007 HydrophobicContact CE1-CD2 3.39Å; F939-L1007 VanDerWaalsContact CE1-CD2 3.43Å; F939-L1007 HydrophobicContact CE2-CD1 4.01Å; F939-L1007 HydrophobicContact CE2-CD2 4.29Å; F939-L1007 HydrophobicContact CZ-CD1 3.96Å; F939-L1007 HydrophobicContact CZ-CD2 3.53Å; F939-L1007 HydrophobicContact CZ-CG 4.34Å; F939-L1039 HydrophobicContact CD1-CD2 4.04Å; F939-L1039 HydrophobicContact CE1-CD2 4.22Å; F939-Y1042 AromaticContact CE1-CE2 3.88Å; F939-Y1042 HydrophobicContact CE1-CE2 4.01Å; F939-Y1042 AromaticContact CE1-CZ 3.94Å; F939-Y1042 HydrophobicContact CZ-CD2 4.41Å; F939-Y1042 HydrophobicContact CZ-CE1 4.27Å; F939-Y1042 AromaticContact CZ-CE2 3.91Å; F939-Y1042 HydrophobicContact CZ-CE2 3.98Å; F939-Y1042 AromaticContact CZ-CZ 3.83Å; F939-Q1161 HydrophobicContact CE2-CB 4.45Å; F939-Q1161 HydrophobicContact CZ-CG 4.41Å; F939-I1163 HydrophobicContact CD2-CD1 4.21Å; F939-I1163 HydrophobicContact CE2-CD1 3.98Å; F939-I1163 HydrophobicContact CE2-CG1 4.39Å |
| 940 | K | 77.2 | Confident | 64.1 | Low | 75.75 Ų | 75.75 | 69.1 Ų | 69.1 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.9 | -76.8 | -179.9 | 179.6 | -174.5 | 0 | 112.9 | Q936 H937 A938 M942 T943 G944 Q945 Q1037 L1039 | Q936-K940 WeakPolarHBondContact O-CB 3.35Å; Q936-K940 VanDerWaalsContact O-CG 3.28Å; Q936-K940 WeakPolarHBondContact O-CG 3.29Å; Q936-K940 PolarHBondContact O-N 3.21Å; H937-K940 CarbonylContact O-C 3.58Å; H937-K940 WeakPolarHBondContact O-CB 3.33Å; H937-K940 PolarHBondContact O-N 3.1Å; H937-K940 VanDerWaalsContact O-N 3.16Å; A938-K940 VanDerWaalsContact C-N 3.35Å; A938-K940 PolarHBondContact O-N 3.38Å; K940-M942 VanDerWaalsContact C-N 3.32Å; K940-M942 PolarHBondContact O-N 3.1Å; K940-T943 WeakPolarHBondContact CA-OG1 3.31Å; K940-T943 PolarHBondContact O-N 3.21Å; K940-T943 PolarHBondContact O-OG1 3.1Å; K940-T943 VanDerWaalsContact O-OG1 3.1Å; K940-G944 WeakPolarHBondContact O-CA 3.4Å; K940-G944 PolarHBondContact O-N 3.03Å; K940-Q945 PolarHBondContact O-N 3.17Å; K940-Q1037 PolarHBondContact NZ-O 3.01Å; K940-L1039 HydrophobicContact CD-CD2 4.24Å; K940-L1039 VanDerWaalsContact CE-CD2 3.47Å; K940-L1039 HydrophobicContact CG-CD2 3.71Å |
| 941 | T | 74.8 | Confident | 61.5 | Low | 61.25 Ų | 61.25 | 73.9 Ų | 73.9 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 177.8 | -3 | 0 | 0 | 0 | 0 | 111.3 | H937 A938 F939 G944 Q945 | H937-T941 VanDerWaalsContact CE1-CG2 3.47Å; H937-T941 WeakPolarHBondContact CE1-CG2 3.23Å; H937-T941 PolarHBondContact CE1-OG1 3.45Å; H937-T941 PolarHBondContact ND1-OG1 3.18Å; H937-T941 WeakPolarHBondContact O-CB 3.46Å; H937-T941 WeakPolarHBondContact O-CG2 3.26Å; H937-T941 PolarHBondContact O-N 3.06Å; H937-T941 PolarHBondContact O-OG1 3.13Å; A938-T941 WeakPolarHBondContact CA-OG1 3.31Å; A938-T941 WeakPolarHBondContact O-CB 3.47Å; A938-T941 PolarHBondContact O-N 3.04Å; A938-T941 PolarHBondContact O-OG1 3.24Å; F939-T941 VanDerWaalsContact C-N 3.3Å; F939-T941 PolarHBondContact O-N 3.29Å; T941-G944 PolarHBondContact O-N 3.32Å; T941-Q945 WeakPolarHBondContact O-CG 3.32Å; T941-Q945 PolarHBondContact O-N 3.09Å |
| 942 | M | 73.2 | Confident | 58.9 | Low | 20.75 Ų | 20.75 | 79.4 Ų | 79.4 | 10% | 0.102 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 173.8 | -176.1 | -165.9 | 68.6 | 0 | 0 | 112.3 | A938 F939 K940 G944 G984 L986 Q1161 | A938-M942 PolarHBondContact O-N 3.13Å; A938-M942 VanDerWaalsContact O-N 3.1Å; F939-M942 HydrophobicContact CD2-CE 3.96Å; F939-M942 HydrophobicContact CE2-CE 4.02Å; F939-M942 HydrophobicContact CG-CE 4.42Å; F939-M942 WeakPolarHBondContact O-CB 3.4Å; F939-M942 PolarHBondContact O-N 3.1Å; K940-M942 VanDerWaalsContact C-N 3.32Å; K940-M942 PolarHBondContact O-N 3.1Å; M942-G944 PolarHBondContact O-N 3.35Å; M942-G984 VanDerWaalsContact SD-C 3.54Å; M942-L986 HydrophobicContact CE-CB 3.94Å; M942-L986 HydrophobicContact SD-CB 3.97Å; M942-Q1161 HydrophobicContact CE-CB 4.28Å; M942-Q1161 HydrophobicContact CE-CG 3.84Å; M942-Q1161 VanDerWaalsContact CE-OE1 3.3Å |
| 943 | T | 68.3 | Low | 56.2 | Low | 38 Ų | 38 | 80.5 Ų | 80.5 | 23% | 0.233 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -79.8 | -26.2 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | F939 K940 Q945 C946 V947 | F939-T943 HydrophobicContact CD1-CG2 4.36Å; F939-T943 HydrophobicContact CE1-CG2 3.99Å; F939-T943 HydrophobicContact CE2-CG2 4.46Å; F939-T943 HydrophobicContact CZ-CG2 4.27Å; F939-T943 WeakPolarHBondContact O-CG2 3.44Å; F939-T943 PolarHBondContact O-N 3.08Å; F939-T943 VanDerWaalsContact O-N 3.1Å; F939-T943 PolarHBondContact O-OG1 3.3Å; F939-T943 VanDerWaalsContact O-OG1 3.06Å; K940-T943 WeakPolarHBondContact CA-OG1 3.31Å; K940-T943 PolarHBondContact O-N 3.21Å; K940-T943 PolarHBondContact O-OG1 3.1Å; K940-T943 VanDerWaalsContact O-OG1 3.1Å; T943-Q945 VanDerWaalsContact C-N 3.33Å; T943-Q945 PolarHBondContact O-N 3.34Å; T943-C946 WeakPolarHBondContact O-CB 3.38Å; T943-C946 PolarHBondContact O-N 3.37Å; T943-V947 WeakPolarHBondContact O-CG2 3.15Å |
| 944 | G | 56.5 | Low | 53.6 | Low | 41 Ų | 41 | 83.6 Ų | 83.6 | 42% | 0.423 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -79.3 | 13.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K940 T941 M942 C946 V947 K981 | K940-G944 WeakPolarHBondContact O-CA 3.4Å; K940-G944 PolarHBondContact O-N 3.03Å; T941-G944 PolarHBondContact O-N 3.32Å; M942-G944 PolarHBondContact O-N 3.35Å; G944-C946 PolarHBondContact O-N 3.09Å; G944-C946 VanDerWaalsContact O-N 3.08Å; G944-V947 PolarHBondContact O-N 3.24Å; G944-K981 PolarHBondContact O-NZ 2.84Å |
| 945 | Q | 46.9 | Very low | 50.9 | Low | 133.5 Ų | 133.5 | 89.3 Ų | 89.3 | 62% | 0.624 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 40.8 | 172.4 | -70.6 | -177.8 | 0 | 0 | 0 | 112 | K940 T941 T943 | K940-Q945 PolarHBondContact O-N 3.17Å; T941-Q945 WeakPolarHBondContact O-CG 3.32Å; T941-Q945 PolarHBondContact O-N 3.09Å; T943-Q945 VanDerWaalsContact C-N 3.33Å; T943-Q945 PolarHBondContact O-N 3.34Å |
| 946 | C | 31.7 | Very low | 48.4 | Very low | 65.25 Ų | 65.25 | 96.8 Ų | 96.8 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 68.1 | -179.7 | -97.2 | 0 | 0 | 0 | 0 | 113.7 | T943 G944 K981 S982 | T943-C946 WeakPolarHBondContact O-CB 3.38Å; T943-C946 PolarHBondContact O-N 3.37Å; G944-C946 PolarHBondContact O-N 3.09Å; G944-C946 VanDerWaalsContact O-N 3.08Å; C946-K981 WeakPolarHBondContact O-CD 3.43Å; C946-S982 PolarHBondContact SG-O 3.4Å |
| 947 | V | 27.1 | Very low | 45.8 | Very low | 111.25 Ų | 111.25 | 104.1 Ų | 104.1 | 67% | 0.674 | 55% | 0.547 | S | S | * | . | trans | -96.6 | 129.9 | 173.3 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | T943 G944 I949 | T943-V947 WeakPolarHBondContact O-CG2 3.15Å; G944-V947 PolarHBondContact O-N 3.24Å; V947-I949 PolarHBondContact O-N 3.04Å | ||
| 948 | P | 27.5 | Very low | 43 | Very low | 78.5 Ų | 78.5 | 103.5 Ų | 103.5 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | trans | -73.1 | 124 | 177.5 | 21.9 | -20 | 0 | 0 | 0 | 111 | Y950 | P948-Y950 PolarHBondContact O-N 3.14Š| ||
| 949 | I | 26.3 | Very low | 40.5 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 70% | 0.697 | 59% | 0.588 | S | S | * | * | trans | -82.2 | 110.3 | 167.5 | -59 | 171.8 | 0 | 0 | 0 | 107.3 | V947 F951 | V947-I949 PolarHBondContact O-N 3.04Å; I949-F951 VanDerWaalsContact C-N 3.35Å; I949-F951 HydrophobicContact CB-CD2 4.3Å; I949-F951 HydrophobicContact CG2-CD2 3.92Å; I949-F951 HydrophobicContact CG2-CE2 4.05Å; I949-F951 HydrophobicContact CG2-CG 4.39Å; I949-F951 PolarHBondContact O-N 3.25Å; I949-F951 VanDerWaalsContact O-N 3.08Å | ||
| 950 | Y | 26 | Very low | 37.9 | Very low | 199.25 Ų | 199.25 | 118.3 Ų | 118.3 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | trans | -69.8 | 103.9 | 171 | -72.3 | -88.6 | 0 | 0 | 0 | 109.4 | P948 T952 | P948-Y950 PolarHBondContact O-N 3.14Å; Y950-T952 PolarHBondContact O-N 3.37Å; Y950-T952 VanDerWaalsContact O-N 3.12Å | ||
| 951 | F | 25.3 | Very low | 35.5 | Very low | 191.75 Ų | 191.75 | 119.8 Ų | 119.8 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -88.3 | 89.2 | 162.8 | -99.5 | -84.5 | 0 | 0 | 0 | 109.2 | I949 | I949-F951 VanDerWaalsContact C-N 3.35Å; I949-F951 HydrophobicContact CB-CD2 4.3Å; I949-F951 HydrophobicContact CG2-CD2 3.92Å; I949-F951 HydrophobicContact CG2-CE2 4.05Å; I949-F951 HydrophobicContact CG2-CG 4.39Å; I949-F951 PolarHBondContact O-N 3.25Å; I949-F951 VanDerWaalsContact O-N 3.08Å | ||
| 952 | T | 24.9 | Very low | 33.4 | Very low | 125.25 Ų | 125.25 | 122.1 Ų | 122.1 | 77% | 0.768 | 67% | 0.666 | S | S | * | * | trans | -94 | 114.5 | 165.7 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | Y950 Q954 | Y950-T952 PolarHBondContact O-N 3.37Å; Y950-T952 VanDerWaalsContact O-N 3.12Å; T952-Q954 PolarHBondContact O-N 3.3Å | ||
| 953 | G | 25.3 | Very low | 31.2 | Very low | 70.75 Ų | 70.75 | 126.3 Ų | 126.3 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | trans | 155.9 | 73.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H955 | G953-H955 PolarHBondContact O-N 2.92Å; G953-H955 VanDerWaalsContact O-N 3.08Å | ||
| 954 | Q | 25.9 | Very low | 29.2 | Very low | 173.5 Ų | 173.5 | 130.5 Ų | 130.5 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 120.6 | 152.2 | -72.6 | -177.9 | -16.8 | 0 | 0 | 112.4 | T952 I956 | T952-Q954 PolarHBondContact O-N 3.3Å; Q954-I956 VanDerWaalsContact C-N 3.31Å; Q954-I956 PolarHBondContact O-N 2.94Å; Q954-I956 VanDerWaalsContact O-N 3.14Å | ||
| 955 | H | 25.5 | Very low | 28 | Very low | 183.5 Ų | 183.5 | 134.8 Ų | 134.8 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -94.4 | 106.5 | 155 | -92.4 | -80.2 | 0 | 0 | 0 | 108.3 | G953 K957 | G953-H955 PolarHBondContact O-N 2.92Å; G953-H955 VanDerWaalsContact O-N 3.08Å; H955-K957 PolarHBondContact O-N 3.42Å | ||
| 956 | I | 28.1 | Very low | 27.1 | Very low | 156.75 Ų | 156.75 | 133.9 Ų | 133.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -98.5 | 122.6 | 160.4 | -62.4 | 175.1 | 0 | 0 | 0 | 107.2 | Q954 | Q954-I956 VanDerWaalsContact C-N 3.31Å; Q954-I956 PolarHBondContact O-N 2.94Å; Q954-I956 VanDerWaalsContact O-N 3.14Å | ||
| 957 | K | 27.3 | Very low | 27 | Very low | 194.5 Ų | 194.5 | 140.7 Ų | 140.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 137.4 | 173.4 | -70.1 | 178.7 | 177.5 | 178.7 | 0 | 109.1 | H955 D959 | H955-K957 PolarHBondContact O-N 3.42Å; K957-D959 PolarHBondContact O-N 3.3Å | ||
| 958 | S | 23.1 | Very low | 27 | Very low | 99.5 Ų | 99.5 | 145.3 Ų | 145.3 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 146.8 | 167.3 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 959 | D | 27.3 | Very low | 27 | Very low | 150.25 Ų | 150.25 | 151.1 Ų | 151.1 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | trans | -177.5 | 130.8 | 154 | -65.7 | -22.6 | 0 | 0 | 0 | 109.4 | K957 | K957-D959 PolarHBondContact O-N 3.3Š| ||
| 960 | E | 26.5 | Very low | 27 | Very low | 178.75 Ų | 178.75 | 155.5 Ų | 155.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | -120.7 | 146.8 | -85.7 | -86.8 | 178.1 | 154 | 0 | 0 | 108.9 | |||||
| 961 | S | 28.7 | Very low | 27.1 | Very low | 106.25 Ų | 106.25 | 153 Ų | 153 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | 125.2 | 115.2 | 141.7 | 54.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 962 | S | 29.1 | Very low | 27.3 | Very low | 110.25 Ų | 110.25 | 151.7 Ų | 151.7 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | 63.8 | 122.1 | 134.2 | 61.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 963 | S | 27.1 | Very low | 27.4 | Very low | 108.5 Ų | 108.5 | 152.2 Ų | 152.2 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | -161.1 | 130.4 | 112.9 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | T965 | S963-T965 PolarHBondContact O-N 2.91Š| |||
| 964 | T | 27.9 | Very low | 27.6 | Very low | 125.25 Ų | 125.25 | 160.1 Ų | 160.1 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | trans | -118.9 | 129.3 | 135.1 | 33.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 965 | T | 29.6 | Very low | 27.6 | Very low | 131.75 Ų | 131.75 | 158 Ų | 158 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | 114.6 | 108.5 | 122.8 | 48 | 0 | 0 | 0 | 0 | 115.7 | S963 K967 | S963-T965 PolarHBondContact O-N 2.91Å; T965-K967 PolarHBondContact O-N 2.84Å; T965-K967 VanDerWaalsContact O-N 3.08Å | |||
| 966 | S | 28.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -116.3 | 111.1 | 134.5 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | K968 | S966-K968 PolarHBondContact O-N 3.47Š| ||
| 967 | K | 29.1 | Very low | 27.7 | Very low | 209 Ų | 209 | 153.1 Ų | 153.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -105.9 | 110.6 | 158.7 | -89.3 | 178.7 | 177.6 | 172.3 | 0 | 110.5 | T965 K969 | T965-K967 PolarHBondContact O-N 2.84Å; T965-K967 VanDerWaalsContact O-N 3.08Å; K967-K969 PolarHBondContact O-N 3.46Å | ||
| 968 | K | 27.9 | Very low | 27.8 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -107.1 | 89.6 | 163.1 | -77.4 | 172.9 | 178.7 | 177.2 | 0 | 113.6 | S966 | S966-K968 PolarHBondContact O-N 3.47Š| ||
| 969 | K | 28.3 | Very low | 28.1 | Very low | 201.5 Ų | 201.5 | 157.8 Ų | 157.8 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -124.3 | 111.1 | 146.3 | -100.8 | -176 | 175.8 | -174.9 | 0 | 109.8 | K967 I971 | K967-K969 PolarHBondContact O-N 3.46Å; K969-I971 PolarHBondContact O-N 3.15Å | ||
| 970 | R | 25.3 | Very low | 28.5 | Very low | 227.25 Ų | 227.25 | 157.8 Ų | 157.8 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | trans | -111.5 | 114.4 | -176.9 | -114.1 | -174 | -174.6 | 178.2 | 0.8 | 108.9 | E972 | R970-E972 PolarHBondContact O-N 3.12Å; R970-E972 VanDerWaalsContact O-N 3.14Å | ||
| 971 | I | 29.3 | Very low | 29.7 | Very low | 147.75 Ų | 147.75 | 154.6 Ų | 154.6 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | 4.7 | 102.5 | 172.3 | -56.9 | 166.8 | 0 | 0 | 0 | 110.6 | K969 D973 | K969-I971 PolarHBondContact O-N 3.15Å; I971-D973 HydrophobicContact CG2-CB 4.47Å; I971-D973 PolarHBondContact O-N 3.41Å | ||
| 972 | E | 28.1 | Very low | 31.1 | Very low | 164.5 Ų | 164.5 | 151.9 Ų | 151.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -106.4 | 93.3 | -178.4 | -82.8 | 162.2 | -164.9 | 0 | 0 | 109.9 | R970 R974 | R970-E972 PolarHBondContact O-N 3.12Å; R970-E972 VanDerWaalsContact O-N 3.14Å; E972-R974 VanDerWaalsContact C-N 3.3Å; E972-R974 PolarHBondContact O-N 3.26Å | ||
| 973 | D | 28.6 | Very low | 33.1 | Very low | 135.25 Ų | 135.25 | 146.8 Ų | 146.8 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | trans | -133.8 | 98.7 | 136 | -85.3 | -33.9 | 0 | 0 | 0 | 112.4 | I971 T975 | I971-D973 HydrophobicContact CG2-CB 4.47Å; I971-D973 PolarHBondContact O-N 3.41Å; D973-T975 PolarHBondContact O-N 3.42Å | ||
| 974 | R | 28.2 | Very low | 35.7 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | trans | -99.6 | 40.1 | 174.7 | -84.9 | -176.2 | 171.5 | 180 | -2.9 | 111.8 | E972 | E972-R974 VanDerWaalsContact C-N 3.3Å; E972-R974 PolarHBondContact O-N 3.26Å | ||
| 975 | T | 27.3 | Very low | 38.4 | Very low | 129.25 Ų | 129.25 | 135.9 Ų | 135.9 | 79% | 0.793 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -141.9 | 34.9 | 176.7 | 38 | 0 | 0 | 0 | 0 | 114.3 | D973 | D973-T975 PolarHBondContact O-N 3.42Š|
| 976 | S | 27.3 | Very low | 41.2 | Very low | 86.75 Ų | 86.75 | 129.6 Ų | 129.6 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | trans | -117.3 | 31.2 | 175.6 | 59.9 | 0 | 0 | 0 | 0 | 116.7 | Y978 | S976-Y978 VanDerWaalsContact C-N 3.29Å; S976-Y978 PolarHBondContact O-N 2.99Å | ||
| 977 | N | 27.7 | Very low | 44 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 42.2 | 166.4 | -87.9 | -7.8 | 0 | 0 | 0 | 114.7 | Q979 | N977-Q979 PolarHBondContact O-N 3.33Š|
| 978 | Y | 28.2 | Very low | 46.9 | Very low | 224.75 Ų | 224.75 | 114.3 Ų | 114.3 | 88% | 0.881 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 46.4 | 170.3 | -102.7 | -94.6 | 0 | 0 | 0 | 112.1 | S976 N980 | S976-Y978 VanDerWaalsContact C-N 3.29Å; S976-Y978 PolarHBondContact O-N 2.99Å; Y978-N980 PolarHBondContact O-N 2.79Å; Y978-N980 VanDerWaalsContact O-N 3.09Å |
| 979 | Q | 31.3 | Very low | 49.8 | Very low | 167.25 Ų | 167.25 | 104.7 Ų | 104.7 | 78% | 0.782 | 50% | 0.5 | S | S | * | . | trans | -90.3 | 125.5 | 175.8 | -75.3 | -176.3 | -11.2 | 0 | 0 | 110.8 | N977 K981 | N977-Q979 PolarHBondContact O-N 3.33Å; Q979-K981 PolarHBondContact O-N 2.95Å | ||
| 980 | N | 35.4 | Very low | 52.4 | Low | 150 Ų | 150 | 95.2 Ų | 95.2 | 80% | 0.802 | 46% | 0.46 | S | S | * | . | trans | 15 | 91 | 173.4 | -59.7 | -17.4 | 0 | 0 | 0 | 114.6 | Y978 S982 | Y978-N980 PolarHBondContact O-N 2.79Å; Y978-N980 VanDerWaalsContact O-N 3.09Å; N980-S982 PolarHBondContact O-N 3.2Å | ||
| 981 | K | 50.2 | Low | 55 | Low | 112.5 Ų | 112.5 | 87 Ų | 87 | 49% | 0.489 | 44% | 0.437 | S | S | . | . | trans | -102.4 | 114.7 | 150.6 | -57.4 | -176.6 | 175.7 | -165.3 | 0 | 106.7 | G944 C946 Q979 K1158 | G944-K981 PolarHBondContact O-NZ 2.84Å; C946-K981 WeakPolarHBondContact O-CD 3.43Å; Q979-K981 PolarHBondContact O-N 2.95Å; K981-K1158 HydrophobicContact CB-CD 3.88Å; K981-K1158 VanDerWaalsContact CB-CE 3.49Å; K981-K1158 HydrophobicContact CB-CG 4.05Å; K981-K1158 HydrophobicContact CD-CD 4.47Å; K981-K1158 WeakPolarHBondContact O-CB 3.31Å; K981-K1158 WeakPolarHBondContact O-CE 3.34Å; K981-K1158 WeakPolarHBondContact O-CG 3.36Å | ||
| 982 | S | 59.7 | Low | 57.1 | Low | 49.5 Ų | 49.5 | 82.3 Ų | 82.3 | 35% | 0.346 | 42% | 0.416 | S | S | . | . | trans | -103.2 | 163.3 | 177.6 | 38.1 | 0 | 0 | 0 | 0 | 110.4 | C946 N980 L1156 T1184 | C946-S982 PolarHBondContact SG-O 3.4Å; N980-S982 PolarHBondContact O-N 3.2Å; S982-L1156 CarbonylContact C-O 3.5Å; S982-L1156 WeakPolarHBondContact CA-O 3.39Å; S982-T1184 VanDerWaalsContact OG-CG2 3.24Å; S982-T1184 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 983 | G | 70.9 | Confident | 59.2 | Low | 2.25 Ų | 2.25 | 75.6 Ų | 75.6 | 2% | 0.023 | 39% | 0.391 | C | S | . | . | trans | -65 | 168.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1156 P1157 V1160 | G983-L1156 PolarHBondContact N-O 2.98Å; G983-P1157 VanDerWaalsContact CA-O 3.23Å; G983-P1157 WeakPolarHBondContact CA-O 3.4Å; G983-P1157 PolarHBondContact N-O 3.28Å; G983-V1160 VanDerWaalsContact CA-O 3.31Å; G983-V1160 WeakPolarHBondContact CA-O 3.35Å | ||
| 984 | G | 80.6 | Confident | 61.6 | Low | 5 Ų | 5 | 69.8 Ų | 69.8 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M942 Q1161 F1162 T1184 | M942-G984 VanDerWaalsContact SD-C 3.54Å; G984-Q1161 VanDerWaalsContact O-CA 3.31Å; G984-Q1161 WeakPolarHBondContact O-CA 3.32Å; G984-Q1161 PolarHBondContact O-OE1 2.77Å; G984-F1162 PolarHBondContact O-N 3.35Å; G984-T1184 CarbonylContact C-O 3.55Å; G984-T1184 WeakPolarHBondContact CA-O 3.38Å |
| 985 | I | 85.9 | Confident | 63.9 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.1 | 172.5 | -52.8 | -179.2 | 0 | 0 | 0 | 107.8 | V987 L1152 L1156 F1162 F1164 L1176 Y1180 T1184 C1185 S1186 | I985-V987 HydrophobicContact CG2-CG2 4.07Å; I985-L1152 HydrophobicContact CD1-CD1 4.47Å; I985-L1156 HydrophobicContact CD1-CD1 3.87Å; I985-L1156 HydrophobicContact CG1-CD1 3.49Å; I985-L1156 VanDerWaalsContact CG1-CD1 3.42Å; I985-F1162 CarbonylContact C-O 3.56Å; I985-F1162 VanDerWaalsContact CA-O 3.29Å; I985-F1162 WeakPolarHBondContact CA-O 3.22Å; I985-F1162 HydrophobicContact CG1-CB 4.36Å; I985-F1162 HydrophobicContact CG2-CB 4.45Å; I985-F1164 HydrophobicContact CG2-CD2 3.65Å; I985-F1164 HydrophobicContact CG2-CE2 3.66Å; I985-L1176 HydrophobicContact CD1-CD2 4.41Å; I985-Y1180 HydrophobicContact CD1-CD1 4.17Å; I985-Y1180 HydrophobicContact CD1-CD2 3.55Å; I985-Y1180 VanDerWaalsContact CD1-CD2 3.49Å; I985-Y1180 HydrophobicContact CD1-CE1 4.16Å; I985-Y1180 HydrophobicContact CD1-CE2 3.55Å; I985-Y1180 VanDerWaalsContact CD1-CE2 3.49Å; I985-Y1180 HydrophobicContact CD1-CG 3.88Å; I985-T1184 PolarHBondContact N-O 3.08Å; I985-C1185 HydrophobicContact CB-CB 4.5Å; I985-C1185 CarbonylContact O-C 3.35Å; I985-C1185 WeakPolarHBondContact O-CA 3.31Å; I985-S1186 PolarHBondContact O-N 3.27Å; I985-S1186 PolarHBondContact O-OG 2.93Å |
| 986 | L | 87.3 | Confident | 66.7 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.6 | 172.5 | 178.3 | 65.2 | 0 | 0 | 0 | 109.4 | A938 F939 M942 I988 L1003 F1162 I1163 F1164 S1186 | A938-L986 HydrophobicContact CB-CD1 4.39Å; F939-L986 HydrophobicContact CB-CD2 4.28Å; F939-L986 HydrophobicContact CD2-CD2 4.22Å; M942-L986 HydrophobicContact CE-CB 3.94Å; M942-L986 HydrophobicContact SD-CB 3.97Å; L986-I988 HydrophobicContact CG-CG1 4.42Å; L986-L1003 HydrophobicContact CD2-CD2 4.03Å; L986-F1162 PolarHBondContact N-O 3.15Å; L986-I1163 HydrophobicContact CB-CG1 4.19Å; L986-I1163 HydrophobicContact CD2-CG1 4.48Å; L986-I1163 HydrophobicContact CD2-CG2 4.49Å; L986-I1163 CarbonylContact O-C 3.56Å; L986-I1163 VanDerWaalsContact O-CA 3.27Å; L986-I1163 WeakPolarHBondContact O-CA 3.36Å; L986-F1164 PolarHBondContact O-N 3.18Å; L986-S1186 CarbonylContact C-O 3.52Å; L986-S1186 WeakPolarHBondContact CA-O 3.41Å; L986-S1186 WeakPolarHBondContact CD1-OG 3.38Å |
| 987 | V | 88 | Confident | 69.3 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.4 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 109 | I985 T989 F1164 C1166 I1173 L1176 S1186 V1187 Y1188 | I985-V987 HydrophobicContact CG2-CG2 4.07Å; V987-T989 HydrophobicContact CG1-CG2 3.85Å; V987-F1164 CarbonylContact C-O 3.48Å; V987-F1164 WeakPolarHBondContact CA-O 3.36Å; V987-F1164 HydrophobicContact CG2-CD2 4.43Å; V987-C1166 WeakPolarHBondContact CG1-SG 3.36Å; V987-I1173 HydrophobicContact CG1-CG1 4.28Å; V987-L1176 HydrophobicContact CG2-CD1 3.91Å; V987-S1186 PolarHBondContact N-O 3.17Å; V987-V1187 HydrophobicContact CB-CG2 4.37Å; V987-V1187 CarbonylContact O-C 3.55Å; V987-V1187 WeakPolarHBondContact O-CA 3.43Å; V987-Y1188 PolarHBondContact O-N 3.04Å |
| 988 | I | 89.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.8 | 175.7 | -60.5 | 163 | 0 | 0 | 0 | 107.9 | I935 L986 H999 L1000 L1003 I1163 F1164 T1165 C1166 Y1188 I1190 | I935-I988 HydrophobicContact CD1-CD1 3.52Å; I935-I988 VanDerWaalsContact CD1-CD1 3.43Å; I935-I988 HydrophobicContact CD1-CG1 3.99Å; I935-I988 HydrophobicContact CG1-CD1 4.43Å; L986-I988 HydrophobicContact CG-CG1 4.42Å; I988-H999 HydrophobicContact CG2-CB 4.3Å; I988-L1000 HydrophobicContact CD1-CB 4.4Å; I988-L1000 HydrophobicContact CD1-CD1 4.12Å; I988-L1003 HydrophobicContact CD1-CD2 4.48Å; I988-I1163 HydrophobicContact CD1-CG2 3.67Å; I988-I1163 HydrophobicContact CG1-CG2 4.37Å; I988-F1164 PolarHBondContact N-O 3.11Å; I988-T1165 HydrophobicContact CB-CG2 3.89Å; I988-T1165 HydrophobicContact CD1-CG2 4.19Å; I988-T1165 HydrophobicContact CG2-CG2 4.14Å; I988-T1165 VanDerWaalsContact O-CA 3.27Å; I988-T1165 WeakPolarHBondContact O-CA 3.44Å; I988-C1166 PolarHBondContact O-N 3.17Å; I988-C1166 VanDerWaalsContact O-N 3.12Å; I988-Y1188 CarbonylContact C-O 3.48Å; I988-Y1188 WeakPolarHBondContact CA-O 3.45Å; I988-Y1188 HydrophobicContact CG1-CD1 4.46Å; I988-Y1188 HydrophobicContact CG2-CD1 4.35Å; I988-I1190 HydrophobicContact CG2-CD1 3.78Å; I988-I1190 HydrophobicContact CG2-CG1 3.93Å |
| 989 | T | 89.3 | Confident | 74.6 | Confident | 4.75 Ų | 4.75 | 35 Ų | 35 | 3% | 0.029 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.1 | -175.3 | 84.4 | 0 | 0 | 0 | 0 | 111.9 | V987 C1166 S1168 I1173 V1187 Y1188 Q1189 I1190 | V987-T989 HydrophobicContact CG1-CG2 3.85Å; T989-C1166 WeakPolarHBondContact CA-O 3.38Å; T989-C1166 PolarHBondContact OG1-O 3.01Å; T989-S1168 WeakPolarHBondContact OG1-CA 3.29Å; T989-S1168 PolarHBondContact OG1-N 3.33Å; T989-S1168 VanDerWaalsContact OG1-N 3.14Å; T989-S1168 PolarHBondContact OG1-OG 3.05Å; T989-S1168 VanDerWaalsContact OG1-OG 3.07Å; T989-I1173 HydrophobicContact CG2-CD1 3.54Å; T989-I1173 HydrophobicContact CG2-CG1 4.07Å; T989-V1187 HydrophobicContact CG2-CG1 3.65Å; T989-Y1188 PolarHBondContact N-O 3.06Å; T989-Y1188 PolarHBondContact OG1-O 3.02Å; T989-Q1189 HydrophobicContact CG2-CB 3.96Å; T989-Q1189 HydrophobicContact CG2-CG 4.22Å; T989-Q1189 CarbonylContact O-C 3.56Å; T989-Q1189 WeakPolarHBondContact O-CA 3.25Å; T989-Q1189 WeakPolarHBondContact OG1-CA 3.45Å; T989-I1190 WeakPolarHBondContact O-CG1 3.16Å; T989-I1190 PolarHBondContact O-N 3.23Å |
| 990 | G | 82.9 | Confident | 77.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | trans | -177 | 164.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S994 K996 C1166 E1167 S1168 | G990-S994 WeakPolarHBondContact CA-OG 3.43Å; G990-K996 PolarHBondContact O-NZ 3.11Å; G990-C1166 PolarHBondContact N-O 3.15Å; G990-E1167 WeakPolarHBondContact O-CA 3.16Å; G990-S1168 VanDerWaalsContact C-OG 3.23Å; G990-S1168 WeakPolarHBondContact CA-OG 3.34Å; G990-S1168 PolarHBondContact N-OG 2.99Å; G990-S1168 PolarHBondContact O-N 3.24Å | ||
| 991 | S | 79.4 | Confident | 79.3 | Confident | 55.5 Ų | 55.5 | 19.9 Ų | 19.9 | 39% | 0.388 | 13% | 0.126 | S | C | . | . | trans | -62.3 | 160.1 | 174.4 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | G993 S994 K996 S1168 | S991-G993 PolarHBondContact O-N 3.18Å; S991-S994 PolarHBondContact N-OG 3.17Å; S991-S994 VanDerWaalsContact O-CB 3.27Å; S991-S994 WeakPolarHBondContact O-CB 3.38Å; S991-S994 PolarHBondContact O-N 3.08Å; S991-S994 VanDerWaalsContact O-N 3.13Å; S991-S994 PolarHBondContact O-OG 3.25Å; S991-S994 VanDerWaalsContact O-OG 3.06Å; S991-K996 PolarHBondContact O-NZ 3.22Å; S991-K996 VanDerWaalsContact O-NZ 3.17Å; S991-S1168 PolarHBondContact N-OG 3.28Å | ||
| 992 | P | 74.2 | Confident | 80.7 | Confident | 48 Ų | 48 | 14.8 Ų | 14.8 | 31% | 0.312 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 133.7 | 167.8 | -26.6 | 35.2 | 0 | 0 | 0 | 110.9 | S994 E1167 N1233 | P992-S994 VanDerWaalsContact C-N 3.3Å; P992-S994 PolarHBondContact O-N 3.02Å; P992-E1167 WeakPolarHBondContact CD-OE1 3.46Å; P992-E1167 WeakPolarHBondContact CG-OE1 3.24Å; P992-N1233 PolarHBondContact O-ND2 3.09Å; P992-N1233 PolarHBondContact O-OD1 3.08Å |
| 993 | G | 71.8 | Confident | 81.7 | Confident | 23 Ų | 23 | 12.5 Ų | 12.5 | 24% | 0.237 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -8.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117 | S991 G995 N1233 P1234 S1235 | S991-G993 PolarHBondContact O-N 3.18Å; G993-G995 PolarHBondContact O-N 3.06Å; G993-N1233 WeakPolarHBondContact CA-OD1 3.46Å; G993-N1233 PolarHBondContact O-OD1 3.18Å; G993-N1233 VanDerWaalsContact O-OD1 3.08Å; G993-P1234 WeakPolarHBondContact O-CD 3.24Å; G993-S1235 WeakPolarHBondContact CA-OG 3.4Å |
| 994 | S | 78 | Confident | 82.1 | Confident | 14 Ų | 14 | 12.4 Ų | 12.4 | 10% | 0.098 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -65.1 | -1.6 | -177.2 | 70.3 | 0 | 0 | 0 | 0 | 115.8 | G990 S991 P992 N1233 | G990-S994 WeakPolarHBondContact CA-OG 3.43Å; S991-S994 PolarHBondContact N-OG 3.17Å; S991-S994 VanDerWaalsContact O-CB 3.27Å; S991-S994 WeakPolarHBondContact O-CB 3.38Å; S991-S994 PolarHBondContact O-N 3.08Å; S991-S994 VanDerWaalsContact O-N 3.13Å; S991-S994 PolarHBondContact O-OG 3.25Å; S991-S994 VanDerWaalsContact O-OG 3.06Å; P992-S994 VanDerWaalsContact C-N 3.3Å; P992-S994 PolarHBondContact O-N 3.02Å; S994-N1233 PolarHBondContact N-OD1 3.19Å |
| 995 | G | 77.5 | Confident | 81.9 | Confident | 15.25 Ų | 15.25 | 13.5 Ų | 13.5 | 16% | 0.157 | 9% | 0.092 | C | C | . | . | trans | 87.3 | 28.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G993 T997 V998 H999 | G993-G995 PolarHBondContact O-N 3.06Å; G995-T997 PolarHBondContact O-N 3.23Å; G995-V998 WeakPolarHBondContact O-CB 3.33Å; G995-V998 PolarHBondContact O-N 2.98Å; G995-V998 VanDerWaalsContact O-N 3.13Å; G995-H999 PolarHBondContact O-N 3.25Å; G995-H999 PolarHBondContact O-ND1 3.34Å | ||
| 996 | K | 85 | Confident | 81.5 | Confident | 16.25 Ų | 16.25 | 14.7 Ų | 14.7 | 7% | 0.071 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51.9 | -52 | 176.4 | -63.9 | -168.3 | -62.3 | -83.8 | 0 | 113 | G990 S991 V998 H999 L1000 D1139 T1165 C1166 I1190 | G990-K996 PolarHBondContact O-NZ 3.11Å; S991-K996 PolarHBondContact O-NZ 3.22Å; S991-K996 VanDerWaalsContact O-NZ 3.17Å; K996-V998 VanDerWaalsContact C-N 3.31Å; K996-V998 PolarHBondContact O-N 3.18Å; K996-H999 WeakPolarHBondContact O-CB 3.31Å; K996-H999 PolarHBondContact O-N 3.03Å; K996-H999 VanDerWaalsContact O-N 3.15Å; K996-L1000 PolarHBondContact O-N 3.32Å; K996-D1139 WeakPolarHBondContact CE-OD1 3.38Å; K996-D1139 IonicContact NZ-OD1 3.53Å; K996-D1139 PolarHBondContact NZ-OD1 3.1Å; K996-T1165 HydrophobicContact CB-CG2 4.12Å; K996-C1166 VanDerWaalsContact CD-O 3.25Å; K996-C1166 WeakPolarHBondContact CD-O 3.35Å; K996-I1190 HydrophobicContact CB-CD1 4.29Å; K996-I1190 HydrophobicContact CG-CD1 3.81Å |
| 997 | T | 82.5 | Confident | 81 | Confident | 32 Ų | 32 | 14.7 Ų | 14.7 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 175.6 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | I923 G995 L1000 A1001 F1048 I1052 D1138 | I923-T997 HydrophobicContact CG2-CG2 4.43Å; G995-T997 PolarHBondContact O-N 3.23Å; T997-L1000 PolarHBondContact O-N 3.1Å; T997-A1001 VanDerWaalsContact O-CB 3.28Å; T997-A1001 WeakPolarHBondContact O-CB 3.25Å; T997-A1001 PolarHBondContact O-N 3.17Å; T997-F1048 HydrophobicContact CG2-CD1 4Å; T997-F1048 HydrophobicContact CG2-CE1 3.81Å; T997-I1052 HydrophobicContact CG2-CG1 4.35Å; T997-D1138 VanDerWaalsContact CB-OD2 3.27Å; T997-D1138 WeakPolarHBondContact CB-OD2 3.35Å; T997-D1138 VanDerWaalsContact CG2-OD2 3.28Å; T997-D1138 WeakPolarHBondContact CG2-OD2 3.32Å; T997-D1138 PolarHBondContact OG1-OD2 3.01Å |
| 998 | V | 82.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 16.7 Ų | 16.7 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | I923 D926 I927 G995 K996 A1001 A1002 | I923-V998 HydrophobicContact CG2-CB 4.36Å; I923-V998 HydrophobicContact CG2-CG2 3.78Å; D926-V998 HydrophobicContact CB-CG1 4.37Å; I927-V998 HydrophobicContact CB-CG1 3.8Å; I927-V998 HydrophobicContact CG1-CG1 4.27Å; G995-V998 WeakPolarHBondContact O-CB 3.33Å; G995-V998 PolarHBondContact O-N 2.98Å; G995-V998 VanDerWaalsContact O-N 3.13Å; K996-V998 VanDerWaalsContact C-N 3.31Å; K996-V998 PolarHBondContact O-N 3.18Å; V998-A1001 PolarHBondContact O-N 2.96Å; V998-A1002 VanDerWaalsContact O-CB 3.26Å; V998-A1002 WeakPolarHBondContact O-CB 3.2Å; V998-A1002 PolarHBondContact O-N 3.24Å |
| 999 | H | 85.4 | Confident | 78.8 | Confident | 4.75 Ų | 4.75 | 22.8 Ų | 22.8 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.6 | -78.5 | 77.5 | 0 | 0 | 0 | 112.2 | H931 I935 I988 G995 K996 L1003 Y1188 I1190 | H931-H999 WeakPolarHBondContact CB-NE2 3.37Å; H931-H999 AromaticContact CG-NE2 3.78Å; H931-H999 AromaticContact ND1-CE1 3.7Å; H931-H999 PolarHBondContact ND1-CE1 3.44Å; H931-H999 AromaticContact ND1-NE2 3.7Å; H931-H999 PolarHBondContact ND1-NE2 2.96Å; I935-H999 HydrophobicContact CD1-CB 3.75Å; I935-H999 WeakPolarHBondContact CD1-O 3.11Å; I988-H999 HydrophobicContact CG2-CB 4.3Å; G995-H999 PolarHBondContact O-N 3.25Å; G995-H999 PolarHBondContact O-ND1 3.34Å; K996-H999 WeakPolarHBondContact O-CB 3.31Å; K996-H999 PolarHBondContact O-N 3.03Å; K996-H999 VanDerWaalsContact O-N 3.15Å; H999-L1003 WeakPolarHBondContact O-CB 3.36Å; H999-L1003 PolarHBondContact O-N 3.06Å; H999-Y1188 AromaticContact CD2-CE1 3.88Å; H999-I1190 HydrophobicContact CB-CD1 4.32Å; H999-I1190 VanDerWaalsContact CE1-CG2 3.48Å; H999-I1190 WeakPolarHBondContact CE1-CG2 3.24Å |
| 1000 | L | 86.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 177.1 | -175.1 | 134.3 | 0 | 0 | 0 | 111.5 | I988 K996 T997 A1002 L1003 A1004 I1046 F1048 L1136 D1138 I1163 T1165 | I988-L1000 HydrophobicContact CD1-CB 4.4Å; I988-L1000 HydrophobicContact CD1-CD1 4.12Å; K996-L1000 PolarHBondContact O-N 3.32Å; T997-L1000 PolarHBondContact O-N 3.1Å; L1000-A1002 PolarHBondContact O-N 2.62Å; L1000-L1003 PolarHBondContact O-N 3.01Å; L1000-A1004 WeakPolarHBondContact O-CB 3.31Å; L1000-A1004 PolarHBondContact O-N 3.16Å; L1000-I1046 HydrophobicContact CD2-CD1 3.67Å; L1000-I1046 HydrophobicContact CD2-CG1 4.09Å; L1000-I1046 HydrophobicContact CD2-CG2 3.81Å; L1000-I1046 HydrophobicContact CG-CD1 4.19Å; L1000-F1048 HydrophobicContact CD2-CE1 4.13Å; L1000-F1048 HydrophobicContact CD2-CZ 4.26Å; L1000-L1136 HydrophobicContact CD1-CB 4.17Å; L1000-L1136 HydrophobicContact CD1-CD2 4.05Å; L1000-L1136 HydrophobicContact CD1-CG 3.92Å; L1000-L1136 HydrophobicContact CD2-CB 4.16Å; L1000-L1136 HydrophobicContact CD2-CD2 3.97Å; L1000-L1136 HydrophobicContact CD2-CG 4.48Å; L1000-L1136 HydrophobicContact CG-CB 4.26Å; L1000-L1136 HydrophobicContact CG-CD2 4.05Å; L1000-L1136 HydrophobicContact CG-CG 4.42Å; L1000-D1138 HydrophobicContact CD1-CB 4.1Å; L1000-D1138 HydrophobicContact CD2-CB 3.53Å; L1000-I1163 HydrophobicContact CD1-CB 4.39Å; L1000-I1163 HydrophobicContact CD1-CG2 3.57Å; L1000-T1165 HydrophobicContact CB-CG2 3.87Å; L1000-T1165 HydrophobicContact CD1-CG2 3.69Å; L1000-T1165 HydrophobicContact CD2-CG2 4.19Å; L1000-T1165 HydrophobicContact CG-CG2 4.33Å |
| 1001 | A | 79 | Confident | 74.7 | Confident | 0.6 Ų | 0.6 | 29.3 Ų | 29.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V920 I923 A924 T997 V998 L1003 A1004 M1005 | V920-A1001 HydrophobicContact CG1-CB 3.87Å; V920-A1001 WeakPolarHBondContact CG1-O 3.47Å; I923-A1001 HydrophobicContact CB-CB 4.25Å; I923-A1001 HydrophobicContact CG2-CB 4.14Å; A924-A1001 HydrophobicContact CB-CB 4.11Å; T997-A1001 VanDerWaalsContact O-CB 3.28Å; T997-A1001 WeakPolarHBondContact O-CB 3.25Å; T997-A1001 PolarHBondContact O-N 3.17Å; V998-A1001 PolarHBondContact O-N 2.96Å; A1001-L1003 VanDerWaalsContact C-N 3.33Å; A1001-L1003 PolarHBondContact O-N 2.65Å; A1001-A1004 WeakPolarHBondContact O-CB 3.42Å; A1001-A1004 PolarHBondContact O-N 3.19Å; A1001-M1005 PolarHBondContact O-N 3.27Å |
| 1002 | A | 78.8 | Confident | 72.5 | Confident | 4.4 Ų | 4.4 | 34.3 Ų | 34.3 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A924 I927 L932 V998 L1000 A1004 M1005 S1006 | A924-A1002 HydrophobicContact CB-CB 4.27Å; I927-A1002 HydrophobicContact CB-CB 4.04Å; I927-A1002 HydrophobicContact CD1-CB 3.56Å; I927-A1002 VanDerWaalsContact CD1-CB 3.46Å; I927-A1002 HydrophobicContact CG1-CB 4.4Å; I927-A1002 HydrophobicContact CG2-CB 3.73Å; L932-A1002 HydrophobicContact CD1-CB 4.06Å; V998-A1002 VanDerWaalsContact O-CB 3.26Å; V998-A1002 WeakPolarHBondContact O-CB 3.2Å; V998-A1002 PolarHBondContact O-N 3.24Å; L1000-A1002 PolarHBondContact O-N 2.62Å; A1002-A1004 VanDerWaalsContact C-N 3.33Å; A1002-A1004 PolarHBondContact O-N 2.94Å; A1002-M1005 PolarHBondContact O-N 2.92Å; A1002-S1006 WeakPolarHBondContact O-CB 3.24Å; A1002-S1006 PolarHBondContact O-N 3.16Å; A1002-S1006 VanDerWaalsContact O-N 3.11Å; A1002-S1006 PolarHBondContact O-OG 2.74Å |
| 1003 | L | 81.1 | Confident | 70.3 | Confident | 0.8 Ų | 0.8 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 171.8 | -177.6 | 81 | 0 | 0 | 0 | 110.8 | I935 F939 L986 I988 H999 L1000 A1001 M1005 S1006 L1007 L1136 I1163 | I935-L1003 HydrophobicContact CD1-CB 4.23Å; I935-L1003 HydrophobicContact CD1-CD2 4.25Å; I935-L1003 HydrophobicContact CG1-CB 4.44Å; I935-L1003 HydrophobicContact CG1-CD1 4.36Å; I935-L1003 HydrophobicContact CG1-CD2 4.23Å; I935-L1003 HydrophobicContact CG2-CD1 4.3Å; F939-L1003 HydrophobicContact CB-CD1 4.1Å; F939-L1003 HydrophobicContact CD2-CD1 4.35Å; F939-L1003 HydrophobicContact CD2-CD2 4.32Å; F939-L1003 HydrophobicContact CG-CD1 4.25Å; L986-L1003 HydrophobicContact CD2-CD2 4.03Å; I988-L1003 HydrophobicContact CD1-CD2 4.48Å; H999-L1003 WeakPolarHBondContact O-CB 3.36Å; H999-L1003 PolarHBondContact O-N 3.06Å; L1000-L1003 PolarHBondContact O-N 3.01Å; A1001-L1003 VanDerWaalsContact C-N 3.33Å; A1001-L1003 PolarHBondContact O-N 2.65Å; L1003-M1005 VanDerWaalsContact C-N 3.33Å; L1003-M1005 PolarHBondContact O-N 3.29Å; L1003-S1006 WeakPolarHBondContact O-CB 3.32Å; L1003-S1006 PolarHBondContact O-N 3.09Å; L1003-S1006 VanDerWaalsContact O-N 3.12Å; L1003-L1007 HydrophobicContact CD1-CD1 4.31Å; L1003-L1007 HydrophobicContact CD1-CG 4.26Å; L1003-L1007 HydrophobicContact CD2-CD1 3.44Å; L1003-L1007 VanDerWaalsContact CD2-CD1 3.44Å; L1003-L1007 HydrophobicContact CD2-CG 4.04Å; L1003-L1007 HydrophobicContact CG-CD1 4.12Å; L1003-L1007 HydrophobicContact CG-CG 4.44Å; L1003-L1007 VanDerWaalsContact O-CG 3.3Å; L1003-L1007 WeakPolarHBondContact O-CG 3.4Å; L1003-L1007 PolarHBondContact O-N 3.16Å; L1003-L1136 HydrophobicContact CD2-CD2 4.32Å; L1003-I1163 HydrophobicContact CD1-CD1 4.09Å; L1003-I1163 HydrophobicContact CD2-CD1 3.54Å; L1003-I1163 HydrophobicContact CD2-CG1 4.22Å; L1003-I1163 HydrophobicContact CD2-CG2 4.11Å; L1003-I1163 HydrophobicContact CG-CD1 4.34Å |
| 1004 | A | 79.9 | Confident | 68.2 | Low | 0.2 Ų | 0.2 | 43.5 Ų | 43.5 | 0% | 0.002 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F916 V920 L1000 A1001 A1002 S1006 L1007 A1008 I1044 I1046 L1136 | F916-A1004 HydrophobicContact CE1-CB 3.87Å; F916-A1004 HydrophobicContact CZ-CB 4.21Å; V920-A1004 HydrophobicContact CG1-CB 4.28Å; L1000-A1004 WeakPolarHBondContact O-CB 3.31Å; L1000-A1004 PolarHBondContact O-N 3.16Å; A1001-A1004 WeakPolarHBondContact O-CB 3.42Å; A1001-A1004 PolarHBondContact O-N 3.19Å; A1002-A1004 VanDerWaalsContact C-N 3.33Å; A1002-A1004 PolarHBondContact O-N 2.94Å; A1004-S1006 VanDerWaalsContact C-N 3.29Å; A1004-S1006 PolarHBondContact O-N 2.98Å; A1004-L1007 PolarHBondContact O-N 3.09Å; A1004-L1007 VanDerWaalsContact O-N 3.15Å; A1004-A1008 WeakPolarHBondContact O-CB 3.37Å; A1004-A1008 PolarHBondContact O-N 3.06Å; A1004-I1044 HydrophobicContact CB-CD1 4.35Å; A1004-I1044 HydrophobicContact CB-CG2 4.38Å; A1004-I1044 WeakPolarHBondContact O-CD1 3.43Å; A1004-I1046 HydrophobicContact CB-CD1 3.85Å; A1004-I1046 HydrophobicContact CB-CG1 4.29Å; A1004-L1136 HydrophobicContact CB-CD2 3.76Å; A1004-L1136 VanDerWaalsContact CB-CD2 3.5Å |
| 1005 | M | 76.3 | Confident | 65.7 | Low | 29.8 Ų | 29.8 | 48.3 Ų | 48.3 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.1 | -140 | -156.7 | -78 | 0 | 0 | 112 | V920 N921 A924 A1001 A1002 L1003 L1007 A1008 K1009 | V920-M1005 HydrophobicContact CG1-CG 4.46Å; N921-M1005 HydrophobicContact CB-CE 3.95Å; N921-M1005 HydrophobicContact CB-SD 4.27Å; N921-M1005 VanDerWaalsContact OD1-CE 3.24Å; N921-M1005 WeakPolarHBondContact OD1-CE 3.31Å; N921-M1005 WeakPolarHBondContact OD1-CG 3.37Å; N921-M1005 PolarHBondContact OD1-SD 3.19Å; A924-M1005 HydrophobicContact CB-CB 4.29Å; A924-M1005 HydrophobicContact CB-CE 3.41Å; A924-M1005 HydrophobicContact CB-CG 3.85Å; A924-M1005 HydrophobicContact CB-SD 4.32Å; A1001-M1005 PolarHBondContact O-N 3.27Å; A1002-M1005 PolarHBondContact O-N 2.92Å; L1003-M1005 VanDerWaalsContact C-N 3.33Å; L1003-M1005 PolarHBondContact O-N 3.29Å; M1005-L1007 VanDerWaalsContact C-N 3.31Å; M1005-L1007 PolarHBondContact O-N 3.2Å; M1005-A1008 PolarHBondContact O-N 3.18Å; M1005-K1009 HydrophobicContact CG-CD 4.45Å; M1005-K1009 WeakPolarHBondContact O-CG 3.47Å; M1005-K1009 PolarHBondContact O-N 3.33Å; M1005-K1009 VanDerWaalsContact O-N 3.12Å |
| 1006 | S | 76.5 | Confident | 63.3 | Low | 25.4 Ų | 25.4 | 54.9 Ų | 54.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 178.5 | -162.2 | 0 | 0 | 0 | 0 | 113.3 | Q936 A1002 L1003 A1004 A1008 | Q936-S1006 PolarHBondContact NE2-OG 2.92Å; A1002-S1006 WeakPolarHBondContact O-CB 3.24Å; A1002-S1006 PolarHBondContact O-N 3.16Å; A1002-S1006 VanDerWaalsContact O-N 3.11Å; A1002-S1006 PolarHBondContact O-OG 2.74Å; L1003-S1006 WeakPolarHBondContact O-CB 3.32Å; L1003-S1006 PolarHBondContact O-N 3.09Å; L1003-S1006 VanDerWaalsContact O-N 3.12Å; A1004-S1006 VanDerWaalsContact C-N 3.29Å; A1004-S1006 PolarHBondContact O-N 2.98Å; S1006-A1008 VanDerWaalsContact C-N 3.33Å |
| 1007 | L | 76.5 | Confident | 60.5 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.9 | -24.1 | 178.9 | -67.7 | 174 | 0 | 0 | 0 | 112.7 | F939 L1003 A1004 M1005 L1039 Y1042 I1044 A1134 I1163 | F939-L1007 HydrophobicContact CD1-CD2 3.99Å; F939-L1007 HydrophobicContact CE1-CD1 4.43Å; F939-L1007 HydrophobicContact CE1-CD2 3.39Å; F939-L1007 VanDerWaalsContact CE1-CD2 3.43Å; F939-L1007 HydrophobicContact CE2-CD1 4.01Å; F939-L1007 HydrophobicContact CE2-CD2 4.29Å; F939-L1007 HydrophobicContact CZ-CD1 3.96Å; F939-L1007 HydrophobicContact CZ-CD2 3.53Å; F939-L1007 HydrophobicContact CZ-CG 4.34Å; L1003-L1007 HydrophobicContact CD1-CD1 4.31Å; L1003-L1007 HydrophobicContact CD1-CG 4.26Å; L1003-L1007 HydrophobicContact CD2-CD1 3.44Å; L1003-L1007 VanDerWaalsContact CD2-CD1 3.44Å; L1003-L1007 HydrophobicContact CD2-CG 4.04Å; L1003-L1007 HydrophobicContact CG-CD1 4.12Å; L1003-L1007 HydrophobicContact CG-CG 4.44Å; L1003-L1007 VanDerWaalsContact O-CG 3.3Å; L1003-L1007 WeakPolarHBondContact O-CG 3.4Å; L1003-L1007 PolarHBondContact O-N 3.16Å; A1004-L1007 PolarHBondContact O-N 3.09Å; A1004-L1007 VanDerWaalsContact O-N 3.15Å; M1005-L1007 VanDerWaalsContact C-N 3.31Å; M1005-L1007 PolarHBondContact O-N 3.2Å; L1007-L1039 HydrophobicContact CD2-CB 4.29Å; L1007-L1039 HydrophobicContact CD2-CD1 4.01Å; L1007-L1039 HydrophobicContact CD2-CD2 4.47Å; L1007-L1039 HydrophobicContact CD2-CG 4.41Å; L1007-Y1042 HydrophobicContact CB-CD2 4.39Å; L1007-Y1042 HydrophobicContact CD1-CD2 4.48Å; L1007-Y1042 HydrophobicContact CD1-CG 4.44Å; L1007-Y1042 HydrophobicContact CD2-CD2 3.74Å; L1007-Y1042 HydrophobicContact CD2-CE2 4.03Å; L1007-Y1042 HydrophobicContact CD2-CG 4.37Å; L1007-Y1042 HydrophobicContact CG-CD2 4.43Å; L1007-Y1042 PolarHBondContact O-N 3.13Å; L1007-I1044 HydrophobicContact CB-CD1 3.7Å; L1007-I1044 HydrophobicContact CB-CG1 4.32Å; L1007-A1134 HydrophobicContact CD1-CB 4.35Å; L1007-I1163 HydrophobicContact CD1-CD1 4.1Å |
| 1008 | A | 70.7 | Confident | 57.8 | Low | 42.8 Ų | 42.8 | 66.5 Ų | 66.5 | 35% | 0.354 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.5 | -31.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F916 A1004 M1005 S1006 S1010 I1044 | F916-A1008 HydrophobicContact CD1-CB 4.44Å; F916-A1008 HydrophobicContact CE1-CB 4.01Å; F916-A1008 HydrophobicContact CZ-CB 4.24Å; A1004-A1008 WeakPolarHBondContact O-CB 3.37Å; A1004-A1008 PolarHBondContact O-N 3.06Å; M1005-A1008 PolarHBondContact O-N 3.18Å; S1006-A1008 VanDerWaalsContact C-N 3.33Å; A1008-S1010 VanDerWaalsContact C-N 3.3Å; A1008-S1010 PolarHBondContact O-N 3.23Å; A1008-S1010 VanDerWaalsContact O-N 3.12Å; A1008-I1044 HydrophobicContact CB-CD1 3.94Å |
| 1009 | K | 61.6 | Low | 55.1 | Low | 128 Ų | 128 | 69.9 Ų | 69.9 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | trans | -72.7 | 49.2 | -169.6 | -81.4 | -179.3 | 176 | 177.4 | 0 | 114.9 | M1005 D1011 | M1005-K1009 HydrophobicContact CG-CD 4.45Å; M1005-K1009 WeakPolarHBondContact O-CG 3.47Å; M1005-K1009 PolarHBondContact O-N 3.33Å; M1005-K1009 VanDerWaalsContact O-N 3.12Å; K1009-D1011 PolarHBondContact O-N 2.94Å; K1009-D1011 VanDerWaalsContact O-N 3.12Å | ||
| 1010 | S | 47.3 | Very low | 52.4 | Low | 40.6 Ų | 40.6 | 78.4 Ų | 78.4 | 28% | 0.284 | 43% | 0.432 | S | S | . | . | trans | -85.4 | 83.2 | -175 | 54.9 | 0 | 0 | 0 | 0 | 115.4 | A1008 H1012 L1039 A1040 K1041 | A1008-S1010 VanDerWaalsContact C-N 3.3Å; A1008-S1010 PolarHBondContact O-N 3.23Å; A1008-S1010 VanDerWaalsContact O-N 3.12Å; S1010-H1012 PolarHBondContact O-N 3.06Å; S1010-L1039 VanDerWaalsContact CB-O 3.31Å; S1010-L1039 WeakPolarHBondContact CB-O 3.2Å; S1010-L1039 PolarHBondContact OG-O 3.05Å; S1010-A1040 VanDerWaalsContact OG-C 3.25Å; S1010-A1040 PolarHBondContact OG-O 3.26Å; S1010-K1041 WeakPolarHBondContact OG-CA 3.39Å; S1010-K1041 PolarHBondContact OG-N 3.43Å | ||
| 1011 | D | 38.9 | Very low | 49.5 | Very low | 102.4 Ų | 102.4 | 85.5 Ų | 85.5 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.7 | 177.3 | -76.8 | -30.7 | 0 | 0 | 0 | 113.9 | K1009 Q1013 S1014 S1038 K1041 | K1009-D1011 PolarHBondContact O-N 2.94Å; K1009-D1011 VanDerWaalsContact O-N 3.12Å; D1011-Q1013 VanDerWaalsContact C-N 3.33Å; D1011-Q1013 PolarHBondContact O-N 3.24Å; D1011-Q1013 VanDerWaalsContact O-N 3.11Å; D1011-S1014 PolarHBondContact O-OG 2.72Å; D1011-S1038 PolarHBondContact OD1-OG 3.35Å; D1011-K1041 IonicContact OD1-NZ 2.91Å; D1011-K1041 WeakPolarHBondContact OD2-CD 3.39Å; D1011-K1041 WeakPolarHBondContact OD2-CE 3.46Å; D1011-K1041 IonicContact OD2-NZ 3.44Å; D1011-K1041 PolarHBondContact OD2-NZ 3.24Å |
| 1012 | H | 32.3 | Very low | 46.9 | Very low | 161.2 Ų | 161.2 | 91.4 Ų | 91.4 | 75% | 0.746 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -104.9 | 21.2 | -159.7 | -84.4 | -51.1 | 0 | 0 | 0 | 114.8 | S1010 | S1010-H1012 PolarHBondContact O-N 3.06Š|
| 1013 | Q | 28.3 | Very low | 44.4 | Very low | 165.6 Ų | 165.6 | 97.3 Ų | 97.3 | 77% | 0.774 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -114.5 | 7 | 178.4 | -90.7 | -171.8 | -8.6 | 0 | 0 | 115.3 | D1011 T1015 | D1011-Q1013 VanDerWaalsContact C-N 3.33Å; D1011-Q1013 PolarHBondContact O-N 3.24Å; D1011-Q1013 VanDerWaalsContact O-N 3.11Å; Q1013-T1015 VanDerWaalsContact C-N 3.31Å; Q1013-T1015 PolarHBondContact O-N 3.03Å; Q1013-T1015 VanDerWaalsContact O-N 3.11Å |
| 1014 | S | 27.3 | Very low | 41.8 | Very low | 98.8 Ų | 98.8 | 108.7 Ų | 108.7 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -95.9 | -1 | -174.5 | 60.4 | 0 | 0 | 0 | 0 | 116 | D1011 L1016 S1018 | D1011-S1014 PolarHBondContact O-OG 2.72Å; S1014-L1016 PolarHBondContact O-N 2.75Å; S1014-S1018 PolarHBondContact O-OG 2.84Å |
| 1015 | T | 26.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -108.6 | 11.1 | -177.6 | 26.9 | 0 | 0 | 0 | 0 | 115.3 | Q1013 | Q1013-T1015 VanDerWaalsContact C-N 3.31Å; Q1013-T1015 PolarHBondContact O-N 3.03Å; Q1013-T1015 VanDerWaalsContact O-N 3.11Å |
| 1016 | L | 27.1 | Very low | 37 | Very low | 153.2 Ų | 153.2 | 118.8 Ų | 118.8 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -114.6 | 19.7 | 179.7 | -107.4 | 154.7 | 0 | 0 | 0 | 114.6 | S1014 | S1014-L1016 PolarHBondContact O-N 2.75Š|
| 1017 | M | 24.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | -123.9 | 34 | 175.1 | -75.1 | -67.2 | -106.5 | 0 | 0 | 113 | ||||
| 1018 | S | 25.8 | Very low | 32.1 | Very low | 105.6 Ų | 105.6 | 128.4 Ų | 128.4 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | -129 | 76.5 | 166.5 | 63 | 0 | 0 | 0 | 0 | 110.5 | S1014 | S1014-S1018 PolarHBondContact O-OG 2.84Š| ||
| 1019 | S | 27 | Very low | 30.1 | Very low | 102.2 Ų | 102.2 | 132.9 Ų | 132.9 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | trans | -134.5 | 110.4 | 165.6 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | D1021 | S1019-D1021 PolarHBondContact O-N 3.18Å; S1019-D1021 VanDerWaalsContact O-N 3.1Å | ||
| 1020 | E | 27.1 | Very low | 28.3 | Very low | 183.6 Ų | 183.6 | 138.4 Ų | 138.4 | 86% | 0.858 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 113.3 | 174.1 | -73.4 | 163 | 158.3 | 0 | 0 | 110 | C1022 | E1020-C1022 PolarHBondContact O-N 2.95Š| ||
| 1021 | D | 26.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -168 | 98.6 | 150.2 | -98.1 | -15.5 | 0 | 0 | 0 | 112.1 | S1019 | S1019-D1021 PolarHBondContact O-N 3.18Å; S1019-D1021 VanDerWaalsContact O-N 3.1Å | ||
| 1022 | C | 25.2 | Very low | 26.7 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -156.3 | 99.4 | 149.8 | -96 | 0 | 0 | 0 | 0 | 112.1 | E1020 | E1020-C1022 PolarHBondContact O-N 2.95Š| ||
| 1023 | T | 26.2 | Very low | 26.5 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 142.3 | 156.8 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1024 | R | 26.4 | Very low | 26.4 | Very low | 241.2 Ų | 241.2 | 143.8 Ų | 143.8 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | 65.4 | 103.1 | 157.3 | -74.1 | 174.7 | 178.1 | 171.8 | 0.3 | 117.6 | ||||
| 1025 | S | 28.2 | Very low | 26.3 | Very low | 108.8 Ų | 108.8 | 145.6 Ų | 145.6 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -156.8 | 109.6 | 135 | 16.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1026 | T | 27.1 | Very low | 26.5 | Very low | 132.4 Ų | 132.4 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 46.4 | 123.9 | 118.4 | 50.7 | 0 | 0 | 0 | 0 | 117 | T1028 | T1026-T1028 PolarHBondContact O-N 3.43Š| |||
| 1027 | S | 24.4 | Very low | 26.8 | Very low | 103.8 Ų | 103.8 | 144.5 Ų | 144.5 | 73% | 0.726 | 80% | 0.796 | S | S | * | * | trans | -16.3 | 130.2 | 158.5 | 53.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1028 | T | 26.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 104.3 | 115.1 | 147.5 | 48.9 | 0 | 0 | 0 | 0 | 115.8 | T1026 | T1026-T1028 PolarHBondContact O-N 3.43Š| ||
| 1029 | T | 27.5 | Very low | 28.6 | Very low | 137.4 Ų | 137.4 | 135.7 Ų | 135.7 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 101.1 | 55 | 156.4 | 62.8 | 0 | 0 | 0 | 0 | 118.2 | K1031 | T1029-K1031 VanDerWaalsContact C-N 3.28Å; T1029-K1031 PolarHBondContact O-N 3.38Å; T1029-K1031 VanDerWaalsContact O-N 3.14Å | ||
| 1030 | R | 24.3 | Very low | 29.8 | Very low | 244.4 Ų | 244.4 | 133.2 Ų | 133.2 | 92% | 0.922 | 74% | 0.736 | S | S | * | * | trans | -115.3 | 80.9 | 155.1 | -81.3 | -179 | -175.6 | 171.2 | 1.4 | 112.8 | ||||
| 1031 | K | 25 | Very low | 31.5 | Very low | 209.8 Ų | 209.8 | 130.6 Ų | 130.6 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | trans | -120.5 | 57.7 | 173.2 | -81.2 | -175.1 | 176.7 | -178.2 | 0 | 113.9 | T1029 | T1029-K1031 VanDerWaalsContact C-N 3.28Å; T1029-K1031 PolarHBondContact O-N 3.38Å; T1029-K1031 VanDerWaalsContact O-N 3.14Å | ||
| 1032 | S | 26.6 | Very low | 33.7 | Very low | 105.8 Ų | 105.8 | 124.7 Ų | 124.7 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -152.3 | 96.5 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1033 | I | 28.3 | Very low | 36 | Very low | 158.2 Ų | 158.2 | 121.3 Ų | 121.3 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | trans | -89.9 | 52.1 | 179.1 | -47.8 | 165.9 | 0 | 0 | 0 | 113.6 | N1035 | I1033-N1035 PolarHBondContact O-N 3.09Š| ||
| 1034 | S | 25.9 | Very low | 38.3 | Very low | 107.6 Ų | 107.6 | 115.9 Ų | 115.9 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | trans | -109.3 | 57.6 | 163.4 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1035 | N | 26.4 | Very low | 40.7 | Very low | 138 Ų | 138 | 104.8 Ų | 104.8 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | trans | -129.9 | 49.9 | 176.7 | -87.3 | -7.7 | 0 | 0 | 0 | 111.8 | I1033 Q1037 | I1033-N1035 PolarHBondContact O-N 3.09Å; N1035-Q1037 VanDerWaalsContact C-N 3.35Å; N1035-Q1037 PolarHBondContact O-N 3.23Å; N1035-Q1037 VanDerWaalsContact O-N 3.09Å | ||
| 1036 | S | 30.4 | Very low | 43.1 | Very low | 101.2 Ų | 101.2 | 100.4 Ų | 100.4 | 71% | 0.708 | 55% | 0.554 | S | S | * | * | trans | -83.5 | 84.5 | 167.6 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | S1038 | S1036-S1038 PolarHBondContact O-N 2.85Š| ||
| 1037 | Q | 34.4 | Very low | 45.5 | Very low | 143.6 Ų | 143.6 | 95.2 Ų | 95.2 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | trans | -68.1 | 110.4 | 177.9 | -69.7 | 175.2 | -15.1 | 0 | 0 | 109.4 | K940 N1035 | K940-Q1037 PolarHBondContact NZ-O 3.01Å; N1035-Q1037 VanDerWaalsContact C-N 3.35Å; N1035-Q1037 PolarHBondContact O-N 3.23Å; N1035-Q1037 VanDerWaalsContact O-N 3.09Å | ||
| 1038 | S | 41.1 | Very low | 47.9 | Very low | 83.4 Ų | 83.4 | 90.6 Ų | 90.6 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 145.2 | 176.1 | 108.8 | 0 | 0 | 0 | 0 | 110.7 | D1011 S1036 | D1011-S1038 PolarHBondContact OD1-OG 3.35Å; S1036-S1038 PolarHBondContact O-N 2.85Å |
| 1039 | L | 46.8 | Very low | 50 | Low | 23.6 Ų | 23.6 | 84.7 Ų | 84.7 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 145 | 169.5 | -71.9 | 164.5 | 0 | 0 | 0 | 108.8 | Q936 F939 K940 L1007 S1010 K1041 | Q936-L1039 HydrophobicContact CG-CD1 4.38Å; F939-L1039 HydrophobicContact CD1-CD2 4.04Å; F939-L1039 HydrophobicContact CE1-CD2 4.22Å; K940-L1039 HydrophobicContact CD-CD2 4.24Å; K940-L1039 VanDerWaalsContact CE-CD2 3.47Å; K940-L1039 HydrophobicContact CG-CD2 3.71Å; L1007-L1039 HydrophobicContact CD2-CB 4.29Å; L1007-L1039 HydrophobicContact CD2-CD1 4.01Å; L1007-L1039 HydrophobicContact CD2-CD2 4.47Å; L1007-L1039 HydrophobicContact CD2-CG 4.41Å; S1010-L1039 VanDerWaalsContact CB-O 3.31Å; S1010-L1039 WeakPolarHBondContact CB-O 3.2Å; S1010-L1039 PolarHBondContact OG-O 3.05Å; L1039-K1041 PolarHBondContact O-N 3.32Å |
| 1040 | A | 53 | Low | 51.8 | Low | 49.8 Ų | 49.8 | 79.4 Ų | 79.4 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 147.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | S1010 Y1042 N1132 | S1010-A1040 VanDerWaalsContact OG-C 3.25Å; S1010-A1040 PolarHBondContact OG-O 3.26Å; A1040-Y1042 HydrophobicContact CB-CE2 4.35Å; A1040-Y1042 WeakPolarHBondContact O-CD2 3.29Å; A1040-Y1042 VanDerWaalsContact O-CE2 3.31Å; A1040-Y1042 WeakPolarHBondContact O-CE2 3.28Å; A1040-Y1042 PolarHBondContact O-N 2.94Å; A1040-N1132 WeakPolarHBondContact CB-ND2 3.15Å |
| 1041 | K | 62.9 | Low | 53.6 | Low | 128.8 Ų | 128.8 | 68.1 Ų | 68.1 | 56% | 0.56 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 123.7 | 178.5 | -169.4 | 175.6 | -177.5 | 176.8 | 0 | 110.1 | S1010 D1011 L1039 N1132 | S1010-K1041 WeakPolarHBondContact OG-CA 3.39Å; S1010-K1041 PolarHBondContact OG-N 3.43Å; D1011-K1041 IonicContact OD1-NZ 2.91Å; D1011-K1041 WeakPolarHBondContact OD2-CD 3.39Å; D1011-K1041 WeakPolarHBondContact OD2-CE 3.46Å; D1011-K1041 IonicContact OD2-NZ 3.44Å; D1011-K1041 PolarHBondContact OD2-NZ 3.24Å; L1039-K1041 PolarHBondContact O-N 3.32Å; K1041-N1132 WeakPolarHBondContact O-CB 3.3Å; K1041-N1132 PolarHBondContact O-ND2 3.32Å |
| 1042 | Y | 71 | Confident | 55.3 | Low | 23.4 Ų | 23.4 | 58.6 Ų | 58.6 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.5 | 173.5 | -72.6 | -99.4 | 0 | 0 | 0 | 110.6 | F939 L1007 A1040 N1132 A1134 Q1161 | F939-Y1042 AromaticContact CE1-CE2 3.88Å; F939-Y1042 HydrophobicContact CE1-CE2 4.01Å; F939-Y1042 AromaticContact CE1-CZ 3.94Å; F939-Y1042 HydrophobicContact CZ-CD2 4.41Å; F939-Y1042 HydrophobicContact CZ-CE1 4.27Å; F939-Y1042 AromaticContact CZ-CE2 3.91Å; F939-Y1042 HydrophobicContact CZ-CE2 3.98Å; F939-Y1042 AromaticContact CZ-CZ 3.83Å; L1007-Y1042 HydrophobicContact CB-CD2 4.39Å; L1007-Y1042 HydrophobicContact CD1-CD2 4.48Å; L1007-Y1042 HydrophobicContact CD1-CG 4.44Å; L1007-Y1042 HydrophobicContact CD2-CD2 3.74Å; L1007-Y1042 HydrophobicContact CD2-CE2 4.03Å; L1007-Y1042 HydrophobicContact CD2-CG 4.37Å; L1007-Y1042 HydrophobicContact CG-CD2 4.43Å; L1007-Y1042 PolarHBondContact O-N 3.13Å; A1040-Y1042 HydrophobicContact CB-CE2 4.35Å; A1040-Y1042 WeakPolarHBondContact O-CD2 3.29Å; A1040-Y1042 VanDerWaalsContact O-CE2 3.31Å; A1040-Y1042 WeakPolarHBondContact O-CE2 3.28Å; A1040-Y1042 PolarHBondContact O-N 2.94Å; Y1042-N1132 CarbonylContact C-O 3.57Å; Y1042-N1132 WeakPolarHBondContact CA-O 3.45Å; Y1042-N1132 HydrophobicContact CD1-CB 3.45Å; Y1042-N1132 VanDerWaalsContact CD1-CB 3.45Å; Y1042-N1132 HydrophobicContact CD2-CB 4.39Å; Y1042-N1132 HydrophobicContact CE1-CB 3.52Å; Y1042-N1132 VanDerWaalsContact CE1-CB 3.48Å; Y1042-N1132 HydrophobicContact CE2-CB 4.44Å; Y1042-N1132 HydrophobicContact CG-CB 3.97Å; Y1042-A1134 HydrophobicContact CD1-CB 3.98Å; Y1042-A1134 HydrophobicContact CG-CB 4.26Å; Y1042-Q1161 HydrophobicContact CE1-CB 4.43Å; Y1042-Q1161 HydrophobicContact CE1-CG 4.23Å; Y1042-Q1161 PolarHBondContact OH-NE2 3.23Å; Y1042-Q1161 PolarHBondContact OH-OE1 3.38Å |
| 1043 | Q | 74 | Confident | 56.6 | Low | 54.4 Ų | 54.4 | 55.6 Ų | 55.6 | 25% | 0.254 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.6 | 160.5 | -108.4 | 148.4 | 2.3 | 0 | 0 | 108.4 | Q1077 N1132 Y1133 A1134 | Q1043-Q1077 VanDerWaalsContact CG-NE2 3.27Å; Q1043-N1132 PolarHBondContact N-O 3.1Å; Q1043-Y1133 HydrophobicContact CB-CD1 3.87Å; Q1043-Y1133 HydrophobicContact CB-CE1 3.87Å; Q1043-Y1133 HydrophobicContact CB-CG 4.47Å; Q1043-Y1133 HydrophobicContact CG-CD1 4.26Å; Q1043-Y1133 HydrophobicContact CG-CE1 4.2Å; Q1043-Y1133 WeakPolarHBondContact O-CA 3.25Å; Q1043-Y1133 VanDerWaalsContact OE1-CE1 3.24Å; Q1043-Y1133 VanDerWaalsContact OE1-CZ 3.26Å; Q1043-Y1133 PolarHBondContact OE1-OH 3.46Å; Q1043-A1134 PolarHBondContact O-N 3.19Å |
| 1044 | I | 74.7 | Confident | 57.6 | Low | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.2 | -168.9 | -54.2 | 178.2 | 0 | 0 | 0 | 109.8 | F916 A1004 L1007 A1008 I1046 A1134 L1136 | F916-I1044 HydrophobicContact CE1-CD1 4.4Å; F916-I1044 HydrophobicContact CE2-CB 4.4Å; F916-I1044 HydrophobicContact CE2-CG2 4.42Å; F916-I1044 HydrophobicContact CZ-CB 3.91Å; F916-I1044 HydrophobicContact CZ-CD1 4.01Å; F916-I1044 HydrophobicContact CZ-CG1 4.37Å; F916-I1044 HydrophobicContact CZ-CG2 3.81Å; A1004-I1044 HydrophobicContact CB-CD1 4.35Å; A1004-I1044 HydrophobicContact CB-CG2 4.38Å; A1004-I1044 WeakPolarHBondContact O-CD1 3.43Å; L1007-I1044 HydrophobicContact CB-CD1 3.7Å; L1007-I1044 HydrophobicContact CB-CG1 4.32Å; A1008-I1044 HydrophobicContact CB-CD1 3.94Å; I1044-I1046 HydrophobicContact CG2-CB 4.43Å; I1044-I1046 HydrophobicContact CG2-CD1 3.93Å; I1044-I1046 HydrophobicContact CG2-CG1 3.57Å; I1044-I1046 VanDerWaalsContact CG2-CG1 3.4Å; I1044-A1134 WeakPolarHBondContact CA-O 3.38Å; I1044-A1134 HydrophobicContact CG1-CB 4.41Å; I1044-L1136 HydrophobicContact CG2-CD1 3.57Å; I1044-L1136 VanDerWaalsContact CG2-CD1 3.44Å; I1044-L1136 HydrophobicContact CG2-CD2 4.05Å; I1044-L1136 HydrophobicContact CG2-CG 4.44Å |
| 1045 | L | 76.9 | Confident | 58.8 | Low | 8.2 Ų | 8.2 | 47.2 Ų | 47.2 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.7 | 169.8 | -68.8 | 169.5 | 0 | 0 | 0 | 107.6 | I912 C1073 L1074 A1134 F1135 L1136 | I912-L1045 HydrophobicContact CD1-CD2 4.46Å; L1045-C1073 HydrophobicContact CD2-CB 4.01Å; L1045-L1074 HydrophobicContact CD1-CD1 4.44Å; L1045-L1074 HydrophobicContact CD1-CD2 3.79Å; L1045-L1074 HydrophobicContact CD1-CG 3.94Å; L1045-A1134 PolarHBondContact N-O 3.06Å; L1045-F1135 HydrophobicContact CB-CD1 4.09Å; L1045-F1135 HydrophobicContact CB-CE1 4.37Å; L1045-F1135 HydrophobicContact CD1-CD1 4.06Å; L1045-F1135 HydrophobicContact CD1-CE1 3.48Å; L1045-F1135 VanDerWaalsContact CD1-CE1 3.44Å; L1045-F1135 HydrophobicContact CD1-CZ 4.13Å; L1045-F1135 HydrophobicContact CG-CE1 4.47Å; L1045-F1135 CarbonylContact O-C 3.55Å; L1045-F1135 WeakPolarHBondContact O-CA 3.35Å; L1045-L1136 PolarHBondContact O-N 3.33Å |
| 1046 | I | 78.1 | Confident | 59.9 | Low | 16.2 Ų | 16.2 | 42.4 Ų | 42.4 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.1 | -176 | -87.5 | 177.4 | 0 | 0 | 0 | 109.8 | F915 F916 V920 L1000 A1004 I1044 F1048 L1136 | F915-I1046 HydrophobicContact CD1-CG2 4.16Å; F915-I1046 HydrophobicContact CE1-CB 4.5Å; F915-I1046 HydrophobicContact CE1-CG2 3.52Å; F915-I1046 HydrophobicContact CZ-CG2 4.38Å; F916-I1046 HydrophobicContact CE1-CD1 4.21Å; F916-I1046 HydrophobicContact CE2-CD1 4.31Å; F916-I1046 HydrophobicContact CE2-CG2 4.23Å; F916-I1046 HydrophobicContact CZ-CD1 3.76Å; F916-I1046 HydrophobicContact CZ-CG1 4.44Å; F916-I1046 HydrophobicContact CZ-CG2 4.22Å; V920-I1046 HydrophobicContact CG1-CD1 4.34Å; V920-I1046 HydrophobicContact CG2-CD1 4.16Å; V920-I1046 HydrophobicContact CG2-CG2 4.44Å; L1000-I1046 HydrophobicContact CD2-CD1 3.67Å; L1000-I1046 HydrophobicContact CD2-CG1 4.09Å; L1000-I1046 HydrophobicContact CD2-CG2 3.81Å; L1000-I1046 HydrophobicContact CG-CD1 4.19Å; A1004-I1046 HydrophobicContact CB-CD1 3.85Å; A1004-I1046 HydrophobicContact CB-CG1 4.29Å; I1044-I1046 HydrophobicContact CG2-CB 4.43Å; I1044-I1046 HydrophobicContact CG2-CD1 3.93Å; I1044-I1046 HydrophobicContact CG2-CG1 3.57Å; I1044-I1046 VanDerWaalsContact CG2-CG1 3.4Å; I1046-F1048 HydrophobicContact CB-CE2 4.25Å; I1046-F1048 HydrophobicContact CD1-CE1 4.24Å; I1046-F1048 HydrophobicContact CD1-CE2 3.65Å; I1046-F1048 HydrophobicContact CD1-CZ 3.41Å; I1046-F1048 VanDerWaalsContact CD1-CZ 3.46Å; I1046-F1048 HydrophobicContact CG1-CD2 4.28Å; I1046-F1048 HydrophobicContact CG1-CE2 3.68Å; I1046-F1048 HydrophobicContact CG1-CZ 3.9Å; I1046-F1048 HydrophobicContact CG2-CD2 4.09Å; I1046-F1048 HydrophobicContact CG2-CE1 4.26Å; I1046-F1048 HydrophobicContact CG2-CE2 3.67Å; I1046-F1048 HydrophobicContact CG2-CZ 3.58Å; I1046-L1136 CarbonylContact C-O 3.56Å; I1046-L1136 VanDerWaalsContact CA-O 3.3Å; I1046-L1136 WeakPolarHBondContact CA-O 3.35Å; I1046-L1136 HydrophobicContact CB-CB 4.27Å; I1046-L1136 HydrophobicContact CD1-CB 4.35Å; I1046-L1136 HydrophobicContact CD1-CD2 4.17Å; I1046-L1136 HydrophobicContact CG1-CB 4.05Å; I1046-L1136 HydrophobicContact CG1-CD1 4.22Å; I1046-L1136 HydrophobicContact CG1-CD2 4.23Å; I1046-L1136 HydrophobicContact CG2-CB 4.07Å |
| 1047 | H | 78 | Confident | 61.1 | Low | 21.6 Ų | 21.6 | 39.4 Ų | 39.4 | 10% | 0.1 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.3 | 173.5 | -172 | 66.7 | 0 | 0 | 0 | 110.6 | C1060 V1066 W1070 L1136 I1137 D1138 | H1047-C1060 VanDerWaalsContact CE1-CB 3.46Å; H1047-C1060 WeakPolarHBondContact CE1-CB 3.12Å; H1047-C1060 PolarHBondContact NE2-O 3.05Å; H1047-V1066 HydrophobicContact CB-CG1 4.14Å; H1047-V1066 WeakPolarHBondContact CD2-CG2 3.29Å; H1047-V1066 VanDerWaalsContact CE1-CG2 3.44Å; H1047-V1066 WeakPolarHBondContact CE1-CG2 3.27Å; H1047-V1066 VanDerWaalsContact NE2-CG2 3.3Å; H1047-V1066 WeakPolarHBondContact NE2-CG2 3.19Å; H1047-W1070 HydrophobicContact CB-CZ2 4.05Å; H1047-L1136 PolarHBondContact N-O 3.19Å; H1047-I1137 HydrophobicContact CB-CG2 4.45Å; H1047-I1137 CarbonylContact O-C 2.87Å; H1047-I1137 WeakPolarHBondContact O-CA 3.37Å; H1047-D1138 PolarHBondContact O-N 3.29Å |
| 1048 | F | 74.5 | Confident | 62.1 | Low | 8.6 Ų | 8.6 | 36.6 Ų | 36.6 | 4% | 0.038 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.1 | 176.1 | -63.9 | -86.6 | 0 | 0 | 0 | 109.1 | F915 V920 T997 L1000 I1046 S1050 G1051 I1052 L1057 D1138 | F915-F1048 AromaticContact CE1-CE2 3.95Å; F915-F1048 HydrophobicContact CE1-CE2 4.1Å; F915-F1048 HydrophobicContact CZ-CD2 4.25Å; F915-F1048 AromaticContact CZ-CE2 3.78Å; F915-F1048 HydrophobicContact CZ-CE2 4Å; F915-F1048 HydrophobicContact CZ-CZ 4.38Å; V920-F1048 HydrophobicContact CG2-CE2 4.35Å; V920-F1048 HydrophobicContact CG2-CZ 4.44Å; T997-F1048 HydrophobicContact CG2-CD1 4Å; T997-F1048 HydrophobicContact CG2-CE1 3.81Å; L1000-F1048 HydrophobicContact CD2-CE1 4.13Å; L1000-F1048 HydrophobicContact CD2-CZ 4.26Å; I1046-F1048 HydrophobicContact CB-CE2 4.25Å; I1046-F1048 HydrophobicContact CD1-CE1 4.24Å; I1046-F1048 HydrophobicContact CD1-CE2 3.65Å; I1046-F1048 HydrophobicContact CD1-CZ 3.41Å; I1046-F1048 VanDerWaalsContact CD1-CZ 3.46Å; I1046-F1048 HydrophobicContact CG1-CD2 4.28Å; I1046-F1048 HydrophobicContact CG1-CE2 3.68Å; I1046-F1048 HydrophobicContact CG1-CZ 3.9Å; I1046-F1048 HydrophobicContact CG2-CD2 4.09Å; I1046-F1048 HydrophobicContact CG2-CE1 4.26Å; I1046-F1048 HydrophobicContact CG2-CE2 3.67Å; I1046-F1048 HydrophobicContact CG2-CZ 3.58Å; F1048-S1050 PolarHBondContact O-N 3.41Å; F1048-G1051 PolarHBondContact O-N 2.85Å; F1048-G1051 VanDerWaalsContact O-N 3.14Å; F1048-I1052 HydrophobicContact CB-CD1 4.4Å; F1048-I1052 HydrophobicContact CB-CG1 4.1Å; F1048-I1052 HydrophobicContact CD1-CD1 3.74Å; F1048-I1052 HydrophobicContact CD1-CG1 3.86Å; F1048-I1052 HydrophobicContact CD2-CD1 3.59Å; F1048-I1052 VanDerWaalsContact CD2-CD1 3.43Å; F1048-I1052 HydrophobicContact CD2-CG1 4.19Å; F1048-I1052 HydrophobicContact CE1-CD1 3.78Å; F1048-I1052 HydrophobicContact CE1-CG1 4.26Å; F1048-I1052 HydrophobicContact CE2-CD1 3.61Å; F1048-I1052 VanDerWaalsContact CE2-CD1 3.49Å; F1048-I1052 HydrophobicContact CE2-CG1 4.39Å; F1048-I1052 HydrophobicContact CG-CD1 3.65Å; F1048-I1052 HydrophobicContact CG-CG1 3.79Å; F1048-I1052 HydrophobicContact CZ-CD1 3.7Å; F1048-I1052 HydrophobicContact CZ-CG1 4.34Å; F1048-L1057 HydrophobicContact CB-CD2 3.89Å; F1048-L1057 HydrophobicContact CD2-CD2 3.53Å; F1048-L1057 VanDerWaalsContact CD2-CD2 3.49Å; F1048-L1057 HydrophobicContact CE2-CD2 4.4Å; F1048-L1057 HydrophobicContact CG-CD2 4.03Å; F1048-D1138 HydrophobicContact CB-CB 4.47Å; F1048-D1138 HydrophobicContact CD1-CB 3.6Å; F1048-D1138 HydrophobicContact CE1-CB 4.16Å; F1048-D1138 HydrophobicContact CG-CB 4.38Å |
| 1049 | T | 71.2 | Confident | 63 | Low | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -43.4 | -171.9 | 20.2 | 0 | 0 | 0 | 0 | 112.2 | G1051 S1059 C1060 K1061 I1137 D1138 D1139 H1142 L1143 | T1049-G1051 PolarHBondContact O-N 3.04Å; T1049-S1059 CarbonylContact O-C 3.56Å; T1049-S1059 WeakPolarHBondContact O-CA 3.26Å; T1049-S1059 WeakPolarHBondContact O-CB 3.23Å; T1049-C1060 CarbonylContact O-C 3.48Å; T1049-C1060 PolarHBondContact O-N 3.07Å; T1049-C1060 VanDerWaalsContact O-N 3.1Å; T1049-K1061 HydrophobicContact CG2-CB 4.41Å; T1049-K1061 HydrophobicContact CG2-CG 4.12Å; T1049-I1137 HydrophobicContact CG2-CG2 3.66Å; T1049-I1137 WeakPolarHBondContact OG1-CG2 3.46Å; T1049-D1138 WeakPolarHBondContact CB-O 3.43Å; T1049-D1138 WeakPolarHBondContact CG2-O 3.42Å; T1049-D1138 PolarHBondContact N-O 3.06Å; T1049-D1138 PolarHBondContact OG1-O 2.95Å; T1049-D1139 WeakPolarHBondContact CB-O 3.49Å; T1049-D1139 WeakPolarHBondContact CG2-O 3.3Å; T1049-D1139 WeakPolarHBondContact OG1-CB 3.11Å; T1049-D1139 PolarHBondContact OG1-O 3.08Å; T1049-H1142 HydrophobicContact CG2-CB 3.99Å; T1049-L1143 HydrophobicContact CG2-CB 4.13Å; T1049-L1143 HydrophobicContact CG2-CD1 4.09Å; T1049-L1143 HydrophobicContact CG2-CD2 3.79Å; T1049-L1143 HydrophobicContact CG2-CG 3.73Å |
| 1050 | S | 63.8 | Low | 63.9 | Low | 26.4 Ų | 26.4 | 35.7 Ų | 35.7 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.6 | 173.8 | 10.4 | 0 | 0 | 0 | 0 | 113.2 | F1048 S1059 D1139 H1142 | F1048-S1050 PolarHBondContact O-N 3.41Å; S1050-S1059 VanDerWaalsContact C-CB 3.47Å; S1050-S1059 VanDerWaalsContact O-CB 3.29Å; S1050-S1059 WeakPolarHBondContact O-CB 3.37Å; S1050-D1139 VanDerWaalsContact OG-CB 3.31Å; S1050-D1139 WeakPolarHBondContact OG-CB 3.24Å; S1050-D1139 PolarHBondContact OG-OD2 3.12Å; S1050-H1142 PolarHBondContact OG-CD2 3.25Å |
| 1051 | G | 63 | Low | 64.6 | Low | 5.8 Ų | 5.8 | 37.2 Ų | 37.2 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | trans | 71.9 | -176.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1048 T1049 L1057 | F1048-G1051 PolarHBondContact O-N 2.85Å; F1048-G1051 VanDerWaalsContact O-N 3.14Å; T1049-G1051 PolarHBondContact O-N 3.04Å; G1051-L1057 CarbonylContact C-O 3.52Å; G1051-L1057 VanDerWaalsContact CA-O 3.31Å; G1051-L1057 WeakPolarHBondContact CA-O 3.31Å | ||
| 1052 | I | 60.9 | Low | 64.9 | Low | 11.4 Ų | 11.4 | 34.8 Ų | 34.8 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 101.4 | 173.2 | -54.6 | 167.8 | 0 | 0 | 0 | 107.9 | F915 I923 T997 F1048 S1054 T1055 G1056 L1057 | F915-I1052 HydrophobicContact CE2-CD1 4.41Å; F915-I1052 HydrophobicContact CZ-CD1 4.1Å; I923-I1052 HydrophobicContact CD1-CB 4.32Å; I923-I1052 HydrophobicContact CD1-CD1 3.42Å; I923-I1052 VanDerWaalsContact CD1-CD1 3.46Å; I923-I1052 HydrophobicContact CD1-CG1 4.08Å; I923-I1052 HydrophobicContact CD1-CG2 3.43Å; I923-I1052 VanDerWaalsContact CD1-CG2 3.44Å; I923-I1052 HydrophobicContact CG1-CG2 4.34Å; T997-I1052 HydrophobicContact CG2-CG1 4.35Å; F1048-I1052 HydrophobicContact CB-CD1 4.4Å; F1048-I1052 HydrophobicContact CB-CG1 4.1Å; F1048-I1052 HydrophobicContact CD1-CD1 3.74Å; F1048-I1052 HydrophobicContact CD1-CG1 3.86Å; F1048-I1052 HydrophobicContact CD2-CD1 3.59Å; F1048-I1052 VanDerWaalsContact CD2-CD1 3.43Å; F1048-I1052 HydrophobicContact CD2-CG1 4.19Å; F1048-I1052 HydrophobicContact CE1-CD1 3.78Å; F1048-I1052 HydrophobicContact CE1-CG1 4.26Å; F1048-I1052 HydrophobicContact CE2-CD1 3.61Å; F1048-I1052 VanDerWaalsContact CE2-CD1 3.49Å; F1048-I1052 HydrophobicContact CE2-CG1 4.39Å; F1048-I1052 HydrophobicContact CG-CD1 3.65Å; F1048-I1052 HydrophobicContact CG-CG1 3.79Å; F1048-I1052 HydrophobicContact CZ-CD1 3.7Å; F1048-I1052 HydrophobicContact CZ-CG1 4.34Å; I1052-S1054 VanDerWaalsContact C-N 3.32Å; I1052-S1054 VanDerWaalsContact CG2-OG 3.27Å; I1052-S1054 WeakPolarHBondContact CG2-OG 3.34Å; I1052-S1054 PolarHBondContact O-N 3.24Å; I1052-S1054 VanDerWaalsContact O-N 3.11Å; I1052-T1055 HydrophobicContact CB-CG2 4.16Å; I1052-T1055 VanDerWaalsContact CB-OG1 3.3Å; I1052-T1055 WeakPolarHBondContact CB-OG1 3.37Å; I1052-T1055 HydrophobicContact CD1-CG2 4.45Å; I1052-T1055 HydrophobicContact CG2-CG2 4.14Å; I1052-T1055 WeakPolarHBondContact CG2-OG1 3.29Å; I1052-T1055 PolarHBondContact O-N 3.09Å; I1052-T1055 VanDerWaalsContact O-N 3.12Å; I1052-T1055 PolarHBondContact O-OG1 3.24Å; I1052-T1055 VanDerWaalsContact O-OG1 3.1Å; I1052-G1056 PolarHBondContact O-N 3.31Å; I1052-L1057 HydrophobicContact CB-CB 4.03Å; I1052-L1057 HydrophobicContact CD1-CB 4.45Å; I1052-L1057 HydrophobicContact CD1-CD2 3.9Å; I1052-L1057 HydrophobicContact CG1-CB 4.32Å; I1052-L1057 HydrophobicContact CG1-CD2 4.09Å; I1052-L1057 PolarHBondContact N-O 3.16Å; I1052-L1057 PolarHBondContact O-N 3.22Å |
| 1053 | P | 52.4 | Low | 65 | Low | 41.8 Ų | 41.8 | 33.8 Ų | 33.8 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -53.6 | -34.2 | 176.7 | -30.1 | 36.4 | 0 | 0 | 0 | 114.2 | T1055 G1056 I1388 F1390 N1435 S1437 F1438 | P1053-T1055 VanDerWaalsContact C-N 3.32Å; P1053-T1055 PolarHBondContact O-N 3.33Å; P1053-G1056 PolarHBondContact O-N 2.89Å; P1053-G1056 VanDerWaalsContact O-N 3.15Å; P1053-I1388 HydrophobicContact CB-CB 3.91Å; P1053-I1388 HydrophobicContact CB-CD1 3.77Å; P1053-I1388 HydrophobicContact CB-CG1 4.37Å; P1053-I1388 HydrophobicContact CB-CG2 4.25Å; P1053-I1388 HydrophobicContact CG-CD1 4.44Å; P1053-I1388 WeakPolarHBondContact O-CB 3.19Å; P1053-I1388 WeakPolarHBondContact O-CD1 3.48Å; P1053-I1388 WeakPolarHBondContact O-CG2 3.41Å; P1053-F1390 VanDerWaalsContact C-CE1 3.44Å; P1053-F1390 VanDerWaalsContact C-CZ 3.42Å; P1053-F1390 HydrophobicContact CB-CD1 4.14Å; P1053-F1390 HydrophobicContact CB-CE1 3.57Å; P1053-F1390 HydrophobicContact CB-CE2 4.39Å; P1053-F1390 HydrophobicContact CB-CZ 4.05Å; P1053-F1390 VanDerWaalsContact CD-CE1 3.49Å; P1053-F1390 HydrophobicContact CG-CE1 3.63Å; P1053-F1390 HydrophobicContact CG-CE2 4.03Å; P1053-F1390 HydrophobicContact CG-CZ 3.26Å; P1053-F1390 WeakPolarHBondContact O-CE1 3.4Å; P1053-F1390 WeakPolarHBondContact O-CZ 3.21Å; P1053-N1435 HydrophobicContact CB-CB 3.84Å; P1053-S1437 WeakPolarHBondContact CA-OG 3.45Å; P1053-S1437 WeakPolarHBondContact CB-OG 3.13Å; P1053-F1438 VanDerWaalsContact CG-O 3.24Å; P1053-F1438 WeakPolarHBondContact CG-O 3.29Å |
| 1054 | S | 50 | Low | 64.8 | Low | 62.2 Ų | 62.2 | 32.8 Ų | 32.8 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -73.7 | -16.4 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | I1052 F1390 | I1052-S1054 VanDerWaalsContact C-N 3.32Å; I1052-S1054 VanDerWaalsContact CG2-OG 3.27Å; I1052-S1054 WeakPolarHBondContact CG2-OG 3.34Å; I1052-S1054 PolarHBondContact O-N 3.24Å; I1052-S1054 VanDerWaalsContact O-N 3.11Å; S1054-F1390 WeakPolarHBondContact O-CD2 3.34Å; S1054-F1390 WeakPolarHBondContact O-CE2 3.37Å |
| 1055 | T | 51.1 | Low | 64.5 | Low | 27.6 Ų | 27.6 | 37.7 Ų | 37.7 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -115.6 | -1.8 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | F915 T918 Y919 P922 I923 I1052 P1053 L1057 F1390 | F915-T1055 HydrophobicContact CE2-CG2 4.49Å; T918-T1055 WeakPolarHBondContact O-CG2 3.39Å; Y919-T1055 HydrophobicContact CD1-CG2 3.36Å; Y919-T1055 WeakPolarHBondContact CD1-O 3.41Å; Y919-T1055 WeakPolarHBondContact CD1-OG1 3.23Å; Y919-T1055 HydrophobicContact CD2-CG2 3.68Å; Y919-T1055 HydrophobicContact CE1-CG2 3.34Å; Y919-T1055 VanDerWaalsContact CE1-O 3.28Å; Y919-T1055 WeakPolarHBondContact CE1-O 3.44Å; Y919-T1055 HydrophobicContact CE2-CG2 3.66Å; Y919-T1055 HydrophobicContact CG-CG2 3.51Å; Y919-T1055 VanDerWaalsContact CZ-CG2 3.47Å; Y919-T1055 WeakPolarHBondContact O-CG2 3.26Å; P922-T1055 HydrophobicContact CB-CG2 4.37Å; P922-T1055 HydrophobicContact CG-CG2 4.42Å; I923-T1055 HydrophobicContact CD1-CG2 4.07Å; I923-T1055 HydrophobicContact CG1-CG2 3.95Å; I1052-T1055 HydrophobicContact CB-CG2 4.16Å; I1052-T1055 VanDerWaalsContact CB-OG1 3.3Å; I1052-T1055 WeakPolarHBondContact CB-OG1 3.37Å; I1052-T1055 HydrophobicContact CD1-CG2 4.45Å; I1052-T1055 HydrophobicContact CG2-CG2 4.14Å; I1052-T1055 WeakPolarHBondContact CG2-OG1 3.29Å; I1052-T1055 PolarHBondContact O-N 3.09Å; I1052-T1055 VanDerWaalsContact O-N 3.12Å; I1052-T1055 PolarHBondContact O-OG1 3.24Å; I1052-T1055 VanDerWaalsContact O-OG1 3.1Å; P1053-T1055 VanDerWaalsContact C-N 3.32Å; P1053-T1055 PolarHBondContact O-N 3.33Å; T1055-L1057 HydrophobicContact CG2-CD1 4.33Å; T1055-L1057 PolarHBondContact O-N 3.23Å; T1055-L1057 WeakPolarHBondContact OG1-CB 3.39Å; T1055-L1057 WeakPolarHBondContact OG1-CD1 3.45Å; T1055-L1057 WeakPolarHBondContact OG1-CG 3.38Å; T1055-L1057 PolarHBondContact OG1-N 3.07Å; T1055-L1057 VanDerWaalsContact OG1-N 3.1Å; T1055-F1390 WeakPolarHBondContact O-CZ 3.1Å |
| 1056 | G | 49.3 | Very low | 64.4 | Low | 36.8 Ų | 36.8 | 37.4 Ų | 37.4 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 13 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1052 P1053 P1058 F1390 | I1052-G1056 PolarHBondContact O-N 3.31Å; P1053-G1056 PolarHBondContact O-N 2.89Å; P1053-G1056 VanDerWaalsContact O-N 3.15Å; G1056-P1058 WeakPolarHBondContact O-CD 3.31Å; G1056-F1390 VanDerWaalsContact CA-CE1 3.44Å |
| 1057 | L | 55.7 | Low | 64.3 | Low | 39.6 Ų | 39.6 | 36.6 Ų | 36.6 | 21% | 0.207 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 117.8 | 177.4 | -139.6 | 102.3 | 0 | 0 | 0 | 109.4 | I910 F915 Y919 F1048 G1051 I1052 T1055 | I910-L1057 HydrophobicContact CD1-CD1 4.45Å; I910-L1057 HydrophobicContact CD1-CD2 3.69Å; I910-L1057 HydrophobicContact CD1-CG 4.02Å; F915-L1057 HydrophobicContact CD2-CD1 4.37Å; F915-L1057 HydrophobicContact CE2-CD1 3.81Å; F915-L1057 HydrophobicContact CE2-CD2 4.26Å; F915-L1057 HydrophobicContact CZ-CD1 4.35Å; F915-L1057 HydrophobicContact CZ-CD2 4.12Å; Y919-L1057 HydrophobicContact CD1-CB 3.85Å; Y919-L1057 HydrophobicContact CD1-CD1 4.09Å; Y919-L1057 HydrophobicContact CD1-CG 4.39Å; Y919-L1057 HydrophobicContact CD2-CD1 4.36Å; Y919-L1057 HydrophobicContact CE1-CB 4.13Å; Y919-L1057 HydrophobicContact CE1-CD1 4.08Å; Y919-L1057 HydrophobicContact CE2-CD1 4.35Å; Y919-L1057 HydrophobicContact CG-CB 4.36Å; Y919-L1057 HydrophobicContact CG-CD1 4.24Å; F1048-L1057 HydrophobicContact CB-CD2 3.89Å; F1048-L1057 HydrophobicContact CD2-CD2 3.53Å; F1048-L1057 VanDerWaalsContact CD2-CD2 3.49Å; F1048-L1057 HydrophobicContact CE2-CD2 4.4Å; F1048-L1057 HydrophobicContact CG-CD2 4.03Å; G1051-L1057 CarbonylContact C-O 3.52Å; G1051-L1057 VanDerWaalsContact CA-O 3.31Å; G1051-L1057 WeakPolarHBondContact CA-O 3.31Å; I1052-L1057 HydrophobicContact CB-CB 4.03Å; I1052-L1057 HydrophobicContact CD1-CB 4.45Å; I1052-L1057 HydrophobicContact CD1-CD2 3.9Å; I1052-L1057 HydrophobicContact CG1-CB 4.32Å; I1052-L1057 HydrophobicContact CG1-CD2 4.09Å; I1052-L1057 PolarHBondContact N-O 3.16Å; I1052-L1057 PolarHBondContact O-N 3.22Å; T1055-L1057 HydrophobicContact CG2-CD1 4.33Å; T1055-L1057 PolarHBondContact O-N 3.23Å; T1055-L1057 WeakPolarHBondContact OG1-CB 3.39Å; T1055-L1057 WeakPolarHBondContact OG1-CD1 3.45Å; T1055-L1057 WeakPolarHBondContact OG1-CG 3.38Å; T1055-L1057 PolarHBondContact OG1-N 3.07Å; T1055-L1057 VanDerWaalsContact OG1-N 3.1Å |
| 1058 | P | 54.7 | Low | 64.1 | Low | 84.6 Ų | 84.6 | 37.2 Ų | 37.2 | 55% | 0.549 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -69 | 149.6 | -177.3 | 28.4 | -34.7 | 0 | 0 | 0 | 111.5 | G1056 C1060 | G1056-P1058 WeakPolarHBondContact O-CD 3.31Å; P1058-C1060 PolarHBondContact O-N 3.11Å |
| 1059 | S | 61 | Low | 64 | Low | 55 Ų | 55 | 40.5 Ų | 40.5 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 134 | 174.5 | 70.4 | 0 | 0 | 0 | 0 | 111 | T1049 S1050 | T1049-S1059 CarbonylContact O-C 3.56Å; T1049-S1059 WeakPolarHBondContact O-CA 3.26Å; T1049-S1059 WeakPolarHBondContact O-CB 3.23Å; S1050-S1059 VanDerWaalsContact C-CB 3.47Å; S1050-S1059 VanDerWaalsContact O-CB 3.29Å; S1050-S1059 WeakPolarHBondContact O-CB 3.37Å |
| 1060 | C | 65.1 | Low | 64.4 | Low | 32.2 Ų | 32.2 | 40.5 Ų | 40.5 | 22% | 0.218 | 24% | 0.236 | C | C | . | . | trans | -133.8 | 91.5 | 179.6 | -160.8 | 0 | 0 | 0 | 0 | 109.7 | H1047 T1049 P1058 K1065 | H1047-C1060 VanDerWaalsContact CE1-CB 3.46Å; H1047-C1060 WeakPolarHBondContact CE1-CB 3.12Å; H1047-C1060 PolarHBondContact NE2-O 3.05Å; T1049-C1060 CarbonylContact O-C 3.48Å; T1049-C1060 PolarHBondContact O-N 3.07Å; T1049-C1060 VanDerWaalsContact O-N 3.1Å; P1058-C1060 PolarHBondContact O-N 3.11Å; C1060-K1065 VanDerWaalsContact SG-CB 3.52Å | ||
| 1061 | K | 68.5 | Low | 65 | Low | 81.6 Ų | 81.6 | 39.3 Ų | 39.3 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | trans | -84.2 | -16.1 | -177.7 | -59.9 | -174.9 | -179.2 | -178.2 | 0 | 113.5 | T1049 L1063 H1142 L1143 D1144 | T1049-K1061 HydrophobicContact CG2-CB 4.41Å; T1049-K1061 HydrophobicContact CG2-CG 4.12Å; K1061-L1063 PolarHBondContact O-N 3.42Å; K1061-H1142 WeakPolarHBondContact CB-O 3.32Å; K1061-H1142 HydrophobicContact CD-CB 4.35Å; K1061-H1142 WeakPolarHBondContact CG-O 3.35Å; K1061-L1143 CarbonylContact O-C 3.47Å; K1061-L1143 WeakPolarHBondContact O-CA 3.36Å; K1061-L1143 WeakPolarHBondContact O-CD2 3.02Å; K1061-D1144 PolarHBondContact O-N 3.26Å | ||
| 1062 | Q | 67.7 | Low | 65.5 | Low | 77.6 Ų | 77.6 | 45.1 Ų | 45.1 | 36% | 0.363 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -82.9 | 112.6 | -174.9 | -69.7 | 177.8 | -17.1 | 0 | 0 | 112.3 | S1064 K1065 V1066 | Q1062-S1064 PolarHBondContact O-N 3.01Å; Q1062-S1064 VanDerWaalsContact O-N 3.15Å; Q1062-K1065 HydrophobicContact CB-CB 4.44Å; Q1062-K1065 HydrophobicContact CB-CD 4.38Å; Q1062-K1065 HydrophobicContact CB-CG 4.36Å; Q1062-K1065 PolarHBondContact O-N 3.12Å; Q1062-K1065 VanDerWaalsContact O-N 3.11Å; Q1062-K1065 VanDerWaalsContact OE1-CD 3.23Å; Q1062-K1065 VanDerWaalsContact OE1-CE 3.24Å; Q1062-K1065 VanDerWaalsContact OE1-NZ 3.13Å; Q1062-V1066 WeakPolarHBondContact O-CG2 3.43Å; Q1062-V1066 PolarHBondContact O-N 3.12Å |
| 1063 | L | 73.3 | Confident | 66.1 | Low | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -33.9 | 178.6 | -177 | 65.2 | 0 | 0 | 0 | 113.1 | K1061 K1065 V1066 L1067 L1111 M1115 L1143 D1144 I1147 W1151 | K1061-L1063 PolarHBondContact O-N 3.42Å; L1063-K1065 VanDerWaalsContact C-N 3.32Å; L1063-K1065 PolarHBondContact O-N 3.03Å; L1063-V1066 HydrophobicContact CD1-CB 4.43Å; L1063-V1066 WeakPolarHBondContact O-CB 3.34Å; L1063-V1066 PolarHBondContact O-N 3.2Å; L1063-L1067 HydrophobicContact CD1-CD1 4.22Å; L1063-L1067 HydrophobicContact CD1-CD2 4.27Å; L1063-L1067 HydrophobicContact CD1-CG 4.06Å; L1063-L1067 HydrophobicContact CD2-CD1 4.32Å; L1063-L1067 HydrophobicContact CG-CD1 3.96Å; L1063-L1067 HydrophobicContact CG-CG 4.11Å; L1063-L1067 WeakPolarHBondContact O-CB 3.32Å; L1063-L1067 WeakPolarHBondContact O-CG 3.27Å; L1063-L1067 PolarHBondContact O-N 3.23Å; L1063-L1111 HydrophobicContact CB-CD1 4.28Å; L1063-L1111 HydrophobicContact CD2-CD1 4.21Å; L1063-L1111 HydrophobicContact CG-CD1 4.14Å; L1063-M1115 HydrophobicContact CD2-CE 4.05Å; L1063-L1143 HydrophobicContact CB-CD2 3.66Å; L1063-L1143 VanDerWaalsContact CB-CD2 3.47Å; L1063-L1143 HydrophobicContact CB-CG 4.29Å; L1063-L1143 HydrophobicContact CD1-CD1 4.49Å; L1063-L1143 HydrophobicContact CD1-CD2 3.72Å; L1063-L1143 HydrophobicContact CG-CD2 4.17Å; L1063-D1144 WeakPolarHBondContact CB-O 3.47Å; L1063-D1144 PolarHBondContact N-O 3.23Å; L1063-D1144 VanDerWaalsContact N-O 3.14Å; L1063-I1147 HydrophobicContact CB-CD1 3.32Å; L1063-I1147 HydrophobicContact CB-CG2 3.82Å; L1063-I1147 HydrophobicContact CD2-CB 4.38Å; L1063-I1147 HydrophobicContact CD2-CD1 3.66Å; L1063-I1147 HydrophobicContact CD2-CG1 4.22Å; L1063-I1147 HydrophobicContact CD2-CG2 3.68Å; L1063-I1147 VanDerWaalsContact CD2-CG2 3.44Å; L1063-I1147 HydrophobicContact CG-CD1 4.03Å; L1063-I1147 HydrophobicContact CG-CG2 4.25Å; L1063-W1151 HydrophobicContact CD1-CD2 4.31Å; L1063-W1151 HydrophobicContact CD1-CE3 4.3Å; L1063-W1151 HydrophobicContact CD1-CZ3 4.45Å; L1063-W1151 HydrophobicContact CD2-CB 3.93Å; L1063-W1151 HydrophobicContact CD2-CD2 4.13Å; L1063-W1151 HydrophobicContact CD2-CE3 4.28Å; L1063-W1151 HydrophobicContact CD2-CG 4.03Å |
| 1064 | S | 69.7 | Low | 67.2 | Low | 33.4 Ų | 33.4 | 43.2 Ų | 43.2 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 177.8 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | Q1062 V1066 L1067 D1068 | Q1062-S1064 PolarHBondContact O-N 3.01Å; Q1062-S1064 VanDerWaalsContact O-N 3.15Å; S1064-V1066 VanDerWaalsContact C-N 3.32Å; S1064-L1067 PolarHBondContact O-N 2.89Å; S1064-D1068 WeakPolarHBondContact O-CB 3.48Å; S1064-D1068 VanDerWaalsContact O-CG 3.25Å; S1064-D1068 PolarHBondContact O-N 3.19Å |
| 1065 | K | 69.6 | Low | 68.4 | Low | 117.4 Ų | 117.4 | 41.2 Ų | 41.2 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 178.5 | -69.8 | -175.4 | 175 | 175.1 | 0 | 111.8 | C1060 Q1062 L1063 D1068 H1069 | C1060-K1065 VanDerWaalsContact SG-CB 3.52Å; Q1062-K1065 HydrophobicContact CB-CB 4.44Å; Q1062-K1065 HydrophobicContact CB-CD 4.38Å; Q1062-K1065 HydrophobicContact CB-CG 4.36Å; Q1062-K1065 PolarHBondContact O-N 3.12Å; Q1062-K1065 VanDerWaalsContact O-N 3.11Å; Q1062-K1065 VanDerWaalsContact OE1-CD 3.23Å; Q1062-K1065 VanDerWaalsContact OE1-CE 3.24Å; Q1062-K1065 VanDerWaalsContact OE1-NZ 3.13Å; L1063-K1065 VanDerWaalsContact C-N 3.32Å; L1063-K1065 PolarHBondContact O-N 3.03Å; K1065-D1068 PolarHBondContact O-N 3.25Å; K1065-H1069 WeakPolarHBondContact O-CB 3.35Å; K1065-H1069 PolarHBondContact O-N 3.17Å |
| 1066 | V | 74.2 | Confident | 69.3 | Low | 1.4 Ų | 1.4 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -48.6 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | H1047 Q1062 L1063 S1064 D1068 H1069 W1070 L1143 | H1047-V1066 HydrophobicContact CB-CG1 4.14Å; H1047-V1066 WeakPolarHBondContact CD2-CG2 3.29Å; H1047-V1066 VanDerWaalsContact CE1-CG2 3.44Å; H1047-V1066 WeakPolarHBondContact CE1-CG2 3.27Å; H1047-V1066 VanDerWaalsContact NE2-CG2 3.3Å; H1047-V1066 WeakPolarHBondContact NE2-CG2 3.19Å; Q1062-V1066 WeakPolarHBondContact O-CG2 3.43Å; Q1062-V1066 PolarHBondContact O-N 3.12Å; L1063-V1066 HydrophobicContact CD1-CB 4.43Å; L1063-V1066 WeakPolarHBondContact O-CB 3.34Å; L1063-V1066 PolarHBondContact O-N 3.2Å; S1064-V1066 VanDerWaalsContact C-N 3.32Å; V1066-D1068 VanDerWaalsContact C-N 3.34Å; V1066-D1068 PolarHBondContact O-N 3.12Å; V1066-H1069 PolarHBondContact O-N 3.22Å; V1066-W1070 HydrophobicContact CG1-CD2 3.99Å; V1066-W1070 HydrophobicContact CG1-CE3 4.26Å; V1066-W1070 HydrophobicContact CG1-CG 4.46Å; V1066-W1070 HydrophobicContact CG1-CH2 4.32Å; V1066-W1070 HydrophobicContact CG1-CZ2 4Å; V1066-W1070 HydrophobicContact CG1-CZ3 4.36Å; V1066-W1070 WeakPolarHBondContact O-CB 3.4Å; V1066-W1070 PolarHBondContact O-N 3.29Å; V1066-L1143 HydrophobicContact CG2-CD1 4.26Å; V1066-L1143 HydrophobicContact CG2-CD2 4.41Å |
| 1067 | L | 77 | Confident | 70.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.5 | -68.9 | 176.7 | 0 | 0 | 0 | 111.5 | L1063 S1064 H1069 W1070 I1071 L1111 K1114 M1115 F1118 W1151 | L1063-L1067 HydrophobicContact CD1-CD1 4.22Å; L1063-L1067 HydrophobicContact CD1-CD2 4.27Å; L1063-L1067 HydrophobicContact CD1-CG 4.06Å; L1063-L1067 HydrophobicContact CD2-CD1 4.32Å; L1063-L1067 HydrophobicContact CG-CD1 3.96Å; L1063-L1067 HydrophobicContact CG-CG 4.11Å; L1063-L1067 WeakPolarHBondContact O-CB 3.32Å; L1063-L1067 WeakPolarHBondContact O-CG 3.27Å; L1063-L1067 PolarHBondContact O-N 3.23Å; S1064-L1067 PolarHBondContact O-N 2.89Å; L1067-H1069 PolarHBondContact O-N 3.19Å; L1067-W1070 HydrophobicContact CD2-CE3 4.49Å; L1067-W1070 PolarHBondContact O-N 3.22Å; L1067-I1071 HydrophobicContact CB-CD1 4.44Å; L1067-I1071 VanDerWaalsContact O-CB 3.26Å; L1067-I1071 WeakPolarHBondContact O-CB 3.21Å; L1067-I1071 WeakPolarHBondContact O-CD1 3.38Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.3Å; L1067-I1071 PolarHBondContact O-N 3.04Å; L1067-L1111 HydrophobicContact CD1-CD1 4.32Å; L1067-K1114 HydrophobicContact CB-CB 4.42Å; L1067-K1114 HydrophobicContact CD1-CB 4.36Å; L1067-M1115 HydrophobicContact CD1-CG 4Å; L1067-F1118 HydrophobicContact CD2-CB 4.04Å; L1067-F1118 HydrophobicContact CD2-CD1 3.76Å; L1067-F1118 HydrophobicContact CD2-CD2 4.07Å; L1067-F1118 HydrophobicContact CD2-CE1 4.18Å; L1067-F1118 HydrophobicContact CD2-CE2 4.44Å; L1067-F1118 HydrophobicContact CD2-CG 3.69Å; L1067-F1118 HydrophobicContact CD2-CZ 4.41Å; L1067-W1151 HydrophobicContact CD2-CE3 4.26Å; L1067-W1151 HydrophobicContact CD2-CZ3 4.39Å |
| 1068 | D | 72.4 | Confident | 71.1 | Confident | 34.6 Ų | 34.6 | 39 Ų | 39 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 175.7 | -76.5 | -23.1 | 0 | 0 | 0 | 111.9 | S1064 K1065 V1066 I1071 K1072 K1114 | S1064-D1068 WeakPolarHBondContact O-CB 3.48Å; S1064-D1068 VanDerWaalsContact O-CG 3.25Å; S1064-D1068 PolarHBondContact O-N 3.19Å; K1065-D1068 PolarHBondContact O-N 3.25Å; V1066-D1068 VanDerWaalsContact C-N 3.34Å; V1066-D1068 PolarHBondContact O-N 3.12Å; D1068-I1071 PolarHBondContact O-N 3.21Å; D1068-K1072 WeakPolarHBondContact O-CB 3.35Å; D1068-K1072 VanDerWaalsContact O-CG 3.28Å; D1068-K1072 WeakPolarHBondContact O-CG 3.32Å; D1068-K1072 PolarHBondContact O-N 3.26Å; D1068-K1114 VanDerWaalsContact CG-NZ 3.25Å; D1068-K1114 VanDerWaalsContact OD1-CD 3.26Å; D1068-K1114 WeakPolarHBondContact OD1-CD 3.3Å; D1068-K1114 WeakPolarHBondContact OD1-CE 3.29Å; D1068-K1114 IonicContact OD1-NZ 3.55Å; D1068-K1114 PolarHBondContact OD1-NZ 3.26Å; D1068-K1114 VanDerWaalsContact OD1-NZ 3.14Å; D1068-K1114 WeakPolarHBondContact OD2-CE 3.29Å; D1068-K1114 IonicContact OD2-NZ 3.27Å; D1068-K1114 PolarHBondContact OD2-NZ 2.99Å |
| 1069 | H | 73.7 | Confident | 71.9 | Confident | 76.8 Ų | 76.8 | 40 Ų | 40 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 178.1 | 177.6 | 66.4 | 0 | 0 | 0 | 111.2 | K1065 V1066 L1067 I1071 K1072 C1073 | K1065-H1069 WeakPolarHBondContact O-CB 3.35Å; K1065-H1069 PolarHBondContact O-N 3.17Å; V1066-H1069 PolarHBondContact O-N 3.22Å; L1067-H1069 PolarHBondContact O-N 3.19Å; H1069-I1071 PolarHBondContact O-N 3.31Å; H1069-K1072 PolarHBondContact O-N 3.25Å; H1069-C1073 PolarHBondContact CE1-SG 3.17Å; H1069-C1073 VanDerWaalsContact CE1-SG 3.51Å; H1069-C1073 VanDerWaalsContact O-CB 3.28Å; H1069-C1073 WeakPolarHBondContact O-CB 3.43Å; H1069-C1073 PolarHBondContact O-N 3.2Å; H1069-C1073 PolarHBondContact O-SG 3.32Å; H1069-C1073 VanDerWaalsContact O-SG 3.36Å |
| 1070 | W | 78.6 | Confident | 72.2 | Confident | 0.6 Ų | 0.6 | 43.3 Ų | 43.3 | 0% | 0.002 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.6 | -70.9 | -4.4 | 0 | 0 | 0 | 112.8 | H1047 V1066 L1067 K1072 C1073 L1074 F1118 F1135 I1137 W1151 F1162 | H1047-W1070 HydrophobicContact CB-CZ2 4.05Å; V1066-W1070 HydrophobicContact CG1-CD2 3.99Å; V1066-W1070 HydrophobicContact CG1-CE3 4.26Å; V1066-W1070 HydrophobicContact CG1-CG 4.46Å; V1066-W1070 HydrophobicContact CG1-CH2 4.32Å; V1066-W1070 HydrophobicContact CG1-CZ2 4Å; V1066-W1070 HydrophobicContact CG1-CZ3 4.36Å; V1066-W1070 WeakPolarHBondContact O-CB 3.4Å; V1066-W1070 PolarHBondContact O-N 3.29Å; L1067-W1070 HydrophobicContact CD2-CE3 4.49Å; L1067-W1070 PolarHBondContact O-N 3.22Å; W1070-K1072 VanDerWaalsContact C-N 3.34Å; W1070-K1072 PolarHBondContact O-N 3.43Å; W1070-C1073 PolarHBondContact O-N 2.97Å; W1070-L1074 VanDerWaalsContact O-CB 3.27Å; W1070-L1074 WeakPolarHBondContact O-CB 3.39Å; W1070-L1074 WeakPolarHBondContact O-CD1 3.45Å; W1070-L1074 VanDerWaalsContact O-CG 3.23Å; W1070-L1074 WeakPolarHBondContact O-CG 3.26Å; W1070-L1074 PolarHBondContact O-N 3.27Å; W1070-F1118 HydrophobicContact CB-CE2 4.22Å; W1070-F1118 HydrophobicContact CE3-CE1 4.41Å; W1070-F1118 AromaticContact CE3-CE2 3.72Å; W1070-F1118 HydrophobicContact CE3-CE2 3.72Å; W1070-F1118 AromaticContact CE3-CZ 3.57Å; W1070-F1118 HydrophobicContact CE3-CZ 3.57Å; W1070-F1118 VanDerWaalsContact CE3-CZ 3.48Å; W1070-F1118 HydrophobicContact CZ3-CE1 4.43Å; W1070-F1118 HydrophobicContact CZ3-CE2 4.44Å; W1070-F1118 AromaticContact CZ3-CZ 3.87Å; W1070-F1118 HydrophobicContact CZ3-CZ 3.87Å; W1070-F1135 AromaticContact CD2-CD1 3.96Å; W1070-F1135 HydrophobicContact CD2-CD1 4Å; W1070-F1135 HydrophobicContact CD2-CE1 4.37Å; W1070-F1135 AromaticContact CE3-CD1 3.81Å; W1070-F1135 HydrophobicContact CE3-CD1 3.81Å; W1070-F1135 HydrophobicContact CE3-CE1 4.22Å; W1070-F1135 HydrophobicContact CG-CD1 4.46Å; W1070-F1135 HydrophobicContact CH2-CB 4.02Å; W1070-F1135 AromaticContact CH2-CD1 3.93Å; W1070-F1135 HydrophobicContact CH2-CD1 4.04Å; W1070-F1135 HydrophobicContact CH2-CG 4.4Å; W1070-F1135 HydrophobicContact CZ2-CB 4.41Å; W1070-F1135 HydrophobicContact CZ2-CD1 4.28Å; W1070-F1135 HydrophobicContact CZ3-CB 4.32Å; W1070-F1135 AromaticContact CZ3-CD1 3.77Å; W1070-F1135 HydrophobicContact CZ3-CD1 3.83Å; W1070-F1135 HydrophobicContact CZ3-CE1 4.46Å; W1070-F1135 HydrophobicContact CZ3-CG 4.35Å; W1070-I1137 HydrophobicContact CH2-CD1 3.57Å; W1070-I1137 VanDerWaalsContact CH2-CD1 3.49Å; W1070-I1137 HydrophobicContact CH2-CG1 3.51Å; W1070-I1137 VanDerWaalsContact CH2-CG1 3.46Å; W1070-I1137 HydrophobicContact CZ2-CD1 4.28Å; W1070-I1137 HydrophobicContact CZ2-CG1 3.85Å; W1070-I1137 HydrophobicContact CZ3-CD1 4.32Å; W1070-I1137 HydrophobicContact CZ3-CG1 4.5Å; W1070-W1151 HydrophobicContact CH2-CH2 4.4Å; W1070-W1151 HydrophobicContact CZ3-CH2 4.22Å; W1070-W1151 AromaticContact CZ3-CZ3 3.92Å; W1070-W1151 HydrophobicContact CZ3-CZ3 4.12Å; W1070-F1162 HydrophobicContact CH2-CE1 4.42Å; W1070-F1162 HydrophobicContact CZ3-CE1 4.21Å |
| 1071 | I | 77.3 | Confident | 72.2 | Confident | 0.6 Ų | 0.6 | 45.8 Ų | 45.8 | 0% | 0.003 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.2 | -70.2 | 165.7 | 0 | 0 | 0 | 110.5 | L1067 D1068 H1069 A1075 I1095 L1099 C1117 F1118 M1121 | L1067-I1071 HydrophobicContact CB-CD1 4.44Å; L1067-I1071 VanDerWaalsContact O-CB 3.26Å; L1067-I1071 WeakPolarHBondContact O-CB 3.21Å; L1067-I1071 WeakPolarHBondContact O-CD1 3.38Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.3Å; L1067-I1071 PolarHBondContact O-N 3.04Å; D1068-I1071 PolarHBondContact O-N 3.21Å; H1069-I1071 PolarHBondContact O-N 3.31Å; I1071-A1075 WeakPolarHBondContact O-CB 3.36Å; I1071-A1075 PolarHBondContact O-N 3.07Å; I1071-I1095 HydrophobicContact CG2-CG2 4.35Å; I1071-L1099 HydrophobicContact CD1-CD2 4.12Å; I1071-L1099 HydrophobicContact CG2-CD1 3.45Å; I1071-L1099 VanDerWaalsContact CG2-CD1 3.48Å; I1071-L1099 HydrophobicContact CG2-CD2 4.04Å; I1071-L1099 HydrophobicContact CG2-CG 4.25Å; I1071-C1117 HydrophobicContact CD1-CB 4.25Å; I1071-F1118 HydrophobicContact CD1-CB 4.18Å; I1071-F1118 HydrophobicContact CG1-CB 4.33Å; I1071-F1118 HydrophobicContact CG1-CD2 4.16Å; I1071-M1121 HydrophobicContact CB-SD 4.27Å; I1071-M1121 HydrophobicContact CG1-SD 4.19Å; I1071-M1121 HydrophobicContact CG2-SD 3.79Å |
| 1072 | K | 72.8 | Confident | 72 | Confident | 128.6 Ų | 128.6 | 44.8 Ų | 44.8 | 56% | 0.559 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.3 | -48.6 | 175 | -75.8 | 178.9 | 177.8 | -172.4 | 0 | 111.6 | D907 D1068 H1069 W1070 L1074 A1075 A1076 | D907-K1072 IonicContact OD2-NZ 2.63Å; D907-K1072 PolarHBondContact OD2-NZ 3.25Å; D1068-K1072 WeakPolarHBondContact O-CB 3.35Å; D1068-K1072 VanDerWaalsContact O-CG 3.28Å; D1068-K1072 WeakPolarHBondContact O-CG 3.32Å; D1068-K1072 PolarHBondContact O-N 3.26Å; H1069-K1072 PolarHBondContact O-N 3.25Å; W1070-K1072 VanDerWaalsContact C-N 3.34Å; W1070-K1072 PolarHBondContact O-N 3.43Å; K1072-L1074 PolarHBondContact O-N 3.25Å; K1072-A1075 PolarHBondContact O-N 3.36Å; K1072-A1076 WeakPolarHBondContact O-CB 3.36Å; K1072-A1076 PolarHBondContact O-N 3.12Å |
| 1073 | C | 73 | Confident | 71.6 | Confident | 12.4 Ų | 12.4 | 44.7 Ų | 44.7 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 179 | -87.6 | 0 | 0 | 0 | 0 | 112 | L1045 H1069 W1070 A1076 Q1077 | L1045-C1073 HydrophobicContact CD2-CB 4.01Å; H1069-C1073 PolarHBondContact CE1-SG 3.17Å; H1069-C1073 VanDerWaalsContact CE1-SG 3.51Å; H1069-C1073 VanDerWaalsContact O-CB 3.28Å; H1069-C1073 WeakPolarHBondContact O-CB 3.43Å; H1069-C1073 PolarHBondContact O-N 3.2Å; H1069-C1073 PolarHBondContact O-SG 3.32Å; H1069-C1073 VanDerWaalsContact O-SG 3.36Å; W1070-C1073 PolarHBondContact O-N 2.97Å; C1073-A1076 PolarHBondContact O-N 3.14Å; C1073-Q1077 VanDerWaalsContact O-CB 3.27Å; C1073-Q1077 WeakPolarHBondContact O-CB 3.38Å; C1073-Q1077 VanDerWaalsContact O-CG 3.3Å; C1073-Q1077 WeakPolarHBondContact O-CG 3.42Å; C1073-Q1077 PolarHBondContact O-N 3.1Å |
| 1074 | L | 76.9 | Confident | 70.8 | Confident | 0.2 Ų | 0.2 | 49.5 Ų | 49.5 | 0% | 0.001 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 176 | -71.2 | 172 | 0 | 0 | 0 | 112 | L1045 W1070 K1072 Q1077 L1078 F1118 M1121 L1125 Y1133 F1135 | L1045-L1074 HydrophobicContact CD1-CD1 4.44Å; L1045-L1074 HydrophobicContact CD1-CD2 3.79Å; L1045-L1074 HydrophobicContact CD1-CG 3.94Å; W1070-L1074 VanDerWaalsContact O-CB 3.27Å; W1070-L1074 WeakPolarHBondContact O-CB 3.39Å; W1070-L1074 WeakPolarHBondContact O-CD1 3.45Å; W1070-L1074 VanDerWaalsContact O-CG 3.23Å; W1070-L1074 WeakPolarHBondContact O-CG 3.26Å; W1070-L1074 PolarHBondContact O-N 3.27Å; K1072-L1074 PolarHBondContact O-N 3.25Å; L1074-Q1077 PolarHBondContact O-N 3.13Å; L1074-L1078 VanDerWaalsContact O-CB 3.29Å; L1074-L1078 WeakPolarHBondContact O-CB 3.41Å; L1074-L1078 VanDerWaalsContact O-CG 3.26Å; L1074-L1078 WeakPolarHBondContact O-CG 3.36Å; L1074-L1078 PolarHBondContact O-N 3.13Å; L1074-F1118 HydrophobicContact CD1-CE2 4.31Å; L1074-M1121 HydrophobicContact CB-CE 3.4Å; L1074-M1121 VanDerWaalsContact CB-CE 3.47Å; L1074-M1121 HydrophobicContact CB-SD 4.42Å; L1074-M1121 HydrophobicContact CD1-CE 4.17Å; L1074-M1121 HydrophobicContact CG-CE 4.4Å; L1074-L1125 HydrophobicContact CD1-CD1 4.28Å; L1074-L1125 HydrophobicContact CD2-CD1 3.91Å; L1074-L1125 HydrophobicContact CD2-CD2 4.29Å; L1074-Y1133 HydrophobicContact CD2-CD1 4.03Å; L1074-Y1133 HydrophobicContact CD2-CE1 3.73Å; L1074-F1135 HydrophobicContact CD1-CE1 4.15Å; L1074-F1135 HydrophobicContact CD1-CZ 4Å; L1074-F1135 HydrophobicContact CD2-CZ 4.33Å |
| 1075 | A | 74.1 | Confident | 70.5 | Confident | 20.6 Ų | 20.6 | 49.7 Ų | 49.7 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1071 K1072 Q1077 L1078 Q1079 L1092 M1121 | I1071-A1075 WeakPolarHBondContact O-CB 3.36Å; I1071-A1075 PolarHBondContact O-N 3.07Å; K1072-A1075 PolarHBondContact O-N 3.36Å; A1075-Q1077 VanDerWaalsContact C-N 3.33Å; A1075-Q1077 PolarHBondContact O-N 2.88Å; A1075-L1078 PolarHBondContact O-N 3.08Å; A1075-Q1079 VanDerWaalsContact O-CB 3.25Å; A1075-Q1079 WeakPolarHBondContact O-CB 3.38Å; A1075-Q1079 VanDerWaalsContact O-CG 3.26Å; A1075-Q1079 WeakPolarHBondContact O-CG 3.36Å; A1075-Q1079 PolarHBondContact O-N 3.22Å; A1075-L1092 HydrophobicContact CB-CD2 4.06Å; A1075-M1121 HydrophobicContact CB-CE 4.33Å |
| 1076 | A | 70.9 | Confident | 70.2 | Confident | 24.6 Ų | 24.6 | 49.7 Ų | 49.7 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L909 K1072 C1073 L1078 Q1079 N1080 | L909-A1076 HydrophobicContact CD1-CB 3.66Å; L909-A1076 HydrophobicContact CD2-CB 3.73Å; L909-A1076 HydrophobicContact CG-CB 4.05Å; K1072-A1076 WeakPolarHBondContact O-CB 3.36Å; K1072-A1076 PolarHBondContact O-N 3.12Å; C1073-A1076 PolarHBondContact O-N 3.14Å; A1076-L1078 VanDerWaalsContact C-N 3.29Å; A1076-L1078 PolarHBondContact O-N 2.97Å; A1076-Q1079 PolarHBondContact O-N 3.26Å; A1076-N1080 WeakPolarHBondContact O-CB 3.45Å; A1076-N1080 PolarHBondContact O-N 3.1Å |
| 1077 | Q | 70.5 | Confident | 69.9 | Low | 31.8 Ų | 31.8 | 55.9 Ų | 55.9 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.9 | -89.9 | 179.5 | -8.7 | 0 | 0 | 112.2 | Q1043 C1073 L1074 A1075 Q1079 N1080 L1081 | Q1043-Q1077 VanDerWaalsContact CG-NE2 3.27Å; C1073-Q1077 VanDerWaalsContact O-CB 3.27Å; C1073-Q1077 WeakPolarHBondContact O-CB 3.38Å; C1073-Q1077 VanDerWaalsContact O-CG 3.3Å; C1073-Q1077 WeakPolarHBondContact O-CG 3.42Å; C1073-Q1077 PolarHBondContact O-N 3.1Å; L1074-Q1077 PolarHBondContact O-N 3.13Å; A1075-Q1077 VanDerWaalsContact C-N 3.33Å; A1075-Q1077 PolarHBondContact O-N 2.88Å; Q1077-Q1079 VanDerWaalsContact C-N 3.32Å; Q1077-Q1079 PolarHBondContact O-N 3.19Å; Q1077-N1080 PolarHBondContact O-N 3.25Å; Q1077-L1081 HydrophobicContact CG-CD1 4.41Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.27Å; Q1077-L1081 WeakPolarHBondContact O-CD1 3.46Å; Q1077-L1081 VanDerWaalsContact O-CG 3.26Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.34Å; Q1077-L1081 PolarHBondContact O-N 3.18Å; Q1077-L1081 VanDerWaalsContact O-N 3.08Å |
| 1078 | L | 71.9 | Confident | 69.2 | Low | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 176.3 | -72.8 | 174.9 | 0 | 0 | 0 | 112.3 | L1074 A1075 A1076 N1080 F1082 L1088 L1092 M1121 F1124 L1125 I1128 | L1074-L1078 VanDerWaalsContact O-CB 3.29Å; L1074-L1078 WeakPolarHBondContact O-CB 3.41Å; L1074-L1078 VanDerWaalsContact O-CG 3.26Å; L1074-L1078 WeakPolarHBondContact O-CG 3.36Å; L1074-L1078 PolarHBondContact O-N 3.13Å; A1075-L1078 PolarHBondContact O-N 3.08Å; A1076-L1078 VanDerWaalsContact C-N 3.29Å; A1076-L1078 PolarHBondContact O-N 2.97Å; L1078-N1080 VanDerWaalsContact C-N 3.35Å; L1078-F1082 HydrophobicContact CD2-CD2 4.16Å; L1078-F1082 HydrophobicContact CD2-CE2 3.98Å; L1078-F1082 WeakPolarHBondContact O-CB 3.41Å; L1078-F1082 WeakPolarHBondContact O-CD2 3.27Å; L1078-F1082 PolarHBondContact O-N 2.87Å; L1078-F1082 VanDerWaalsContact O-N 3.13Å; L1078-L1088 HydrophobicContact CB-CD1 4.27Å; L1078-L1088 HydrophobicContact CB-CD2 4.14Å; L1078-L1088 HydrophobicContact CD1-CD2 4.42Å; L1078-L1088 HydrophobicContact CD2-CD1 4.38Å; L1078-L1088 HydrophobicContact CD2-CD2 4.4Å; L1078-L1088 WeakPolarHBondContact O-CD2 2.76Å; L1078-L1092 HydrophobicContact CB-CD1 4.49Å; L1078-L1092 HydrophobicContact CB-CD2 4.31Å; L1078-M1121 HydrophobicContact CD1-CE 4.02Å; L1078-F1124 HydrophobicContact CD1-CD1 4.12Å; L1078-F1124 HydrophobicContact CD1-CE1 4.35Å; L1078-F1124 HydrophobicContact CD2-CD1 4.37Å; L1078-F1124 HydrophobicContact CD2-CE1 4.19Å; L1078-L1125 HydrophobicContact CD1-CD2 4.32Å; L1078-L1125 HydrophobicContact CD2-CD2 4.01Å; L1078-L1125 HydrophobicContact CG-CD2 4.39Å; L1078-I1128 HydrophobicContact CD2-CD1 4.01Å |
| 1079 | Q | 71 | Confident | 68.9 | Low | 106 Ų | 106 | 60.3 Ų | 60.3 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 174.4 | -137.5 | 171 | -5.6 | 0 | 0 | 111.8 | A1075 A1076 Q1077 F1082 S1083 L1092 | A1075-Q1079 VanDerWaalsContact O-CB 3.25Å; A1075-Q1079 WeakPolarHBondContact O-CB 3.38Å; A1075-Q1079 VanDerWaalsContact O-CG 3.26Å; A1075-Q1079 WeakPolarHBondContact O-CG 3.36Å; A1075-Q1079 PolarHBondContact O-N 3.22Å; A1076-Q1079 PolarHBondContact O-N 3.26Å; Q1077-Q1079 VanDerWaalsContact C-N 3.32Å; Q1077-Q1079 PolarHBondContact O-N 3.19Å; Q1079-F1082 PolarHBondContact O-N 3.45Å; Q1079-S1083 WeakPolarHBondContact O-CA 3.33Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.38Å; Q1079-S1083 PolarHBondContact O-N 3.13Å; Q1079-S1083 VanDerWaalsContact O-N 3.1Å; Q1079-S1083 PolarHBondContact O-OG 3.11Å; Q1079-L1092 HydrophobicContact CB-CD1 4.24Å; Q1079-L1092 HydrophobicContact CG-CD1 3.5Å |
| 1080 | N | 68.5 | Low | 68.6 | Low | 123.6 Ų | 123.6 | 63 Ų | 63 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.9 | -39.5 | 177.6 | -88.8 | -2.9 | 0 | 0 | 0 | 112.7 | A1076 Q1077 L1078 F1082 S1083 | A1076-N1080 WeakPolarHBondContact O-CB 3.45Å; A1076-N1080 PolarHBondContact O-N 3.1Å; Q1077-N1080 PolarHBondContact O-N 3.25Å; L1078-N1080 VanDerWaalsContact C-N 3.35Å; N1080-F1082 VanDerWaalsContact C-N 3.34Å; N1080-F1082 PolarHBondContact O-N 2.69Å; N1080-S1083 PolarHBondContact O-OG 3.34Å |
| 1081 | L | 64.6 | Low | 68.1 | Low | 85 Ų | 85 | 65.4 Ų | 65.4 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74 | -29.1 | -179.8 | -72 | 166.4 | 0 | 0 | 0 | 113.3 | Q1077 L1131 | Q1077-L1081 HydrophobicContact CG-CD1 4.41Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.27Å; Q1077-L1081 WeakPolarHBondContact O-CD1 3.46Å; Q1077-L1081 VanDerWaalsContact O-CG 3.26Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.34Å; Q1077-L1081 PolarHBondContact O-N 3.18Å; Q1077-L1081 VanDerWaalsContact O-N 3.08Å; L1081-L1131 HydrophobicContact CD1-CD1 3.51Å; L1081-L1131 VanDerWaalsContact CD1-CD1 3.41Å; L1081-L1131 HydrophobicContact CD1-CD2 4.17Å |
| 1082 | F | 64.4 | Low | 67.7 | Low | 61.2 Ų | 61.2 | 66.4 Ų | 66.4 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 39.8 | -169.4 | -59.2 | -77.4 | 0 | 0 | 0 | 113.9 | L1078 Q1079 N1080 S1084 S1085 L1088 I1128 L1131 | L1078-F1082 HydrophobicContact CD2-CD2 4.16Å; L1078-F1082 HydrophobicContact CD2-CE2 3.98Å; L1078-F1082 WeakPolarHBondContact O-CB 3.41Å; L1078-F1082 WeakPolarHBondContact O-CD2 3.27Å; L1078-F1082 PolarHBondContact O-N 2.87Å; L1078-F1082 VanDerWaalsContact O-N 3.13Å; Q1079-F1082 PolarHBondContact O-N 3.45Å; N1080-F1082 VanDerWaalsContact C-N 3.34Å; N1080-F1082 PolarHBondContact O-N 2.69Å; F1082-S1084 PolarHBondContact O-N 3.07Å; F1082-S1085 PolarHBondContact O-N 3.12Å; F1082-S1085 VanDerWaalsContact O-N 3.09Å; F1082-L1088 HydrophobicContact CB-CB 4.28Å; F1082-L1088 HydrophobicContact CB-CD1 3.47Å; F1082-L1088 HydrophobicContact CB-CD2 4.23Å; F1082-L1088 HydrophobicContact CB-CG 4.39Å; F1082-L1088 HydrophobicContact CD1-CD1 3.83Å; F1082-L1088 HydrophobicContact CD2-CD1 3.55Å; F1082-L1088 HydrophobicContact CE1-CD1 4.26Å; F1082-L1088 HydrophobicContact CE2-CD1 4.25Å; F1082-L1088 HydrophobicContact CG-CD1 3.41Å; F1082-L1088 VanDerWaalsContact CG-CD1 3.46Å; F1082-L1088 HydrophobicContact CZ-CD1 4.37Å; F1082-I1128 HydrophobicContact CE2-CD1 3.75Å; F1082-I1128 HydrophobicContact CZ-CD1 3.91Å; F1082-I1128 HydrophobicContact CZ-CG1 4.36Å; F1082-I1128 HydrophobicContact CZ-CG2 4.24Å; F1082-L1131 HydrophobicContact CE2-CD1 4.37Å; F1082-L1131 HydrophobicContact CZ-CD1 4.38Å |
| 1083 | S | 59.4 | Low | 67.5 | Low | 74.4 Ų | 74.4 | 63 Ų | 63 | 52% | 0.52 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -22.9 | 179.8 | -45.1 | 0 | 0 | 0 | 0 | 114.1 | Q1079 N1080 K1089 | Q1079-S1083 WeakPolarHBondContact O-CA 3.33Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.38Å; Q1079-S1083 PolarHBondContact O-N 3.13Å; Q1079-S1083 VanDerWaalsContact O-N 3.1Å; Q1079-S1083 PolarHBondContact O-OG 3.11Å; N1080-S1083 PolarHBondContact O-OG 3.34Å; S1083-K1089 VanDerWaalsContact O-CE 3.29Å; S1083-K1089 WeakPolarHBondContact O-CE 3.4Å; S1083-K1089 PolarHBondContact O-NZ 3.11Å; S1083-K1089 VanDerWaalsContact O-NZ 3.14Å |
| 1084 | S | 56.1 | Low | 67.3 | Low | 106 Ų | 106 | 69.1 Ų | 69.1 | 74% | 0.741 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.5 | -178.9 | 38.7 | 0 | 0 | 0 | 0 | 116 | F1082 N1086 | F1082-S1084 PolarHBondContact O-N 3.07Å; S1084-N1086 PolarHBondContact O-N 2.65Å |
| 1085 | S | 63.6 | Low | 66.8 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | trans | -94 | 112.1 | -172.2 | 177.4 | 0 | 0 | 0 | 0 | 113.3 | F1082 I1087 L1088 K1089 | F1082-S1085 PolarHBondContact O-N 3.12Å; F1082-S1085 VanDerWaalsContact O-N 3.09Å; S1085-I1087 VanDerWaalsContact C-N 3.31Å; S1085-I1087 PolarHBondContact O-N 3.19Å; S1085-L1088 WeakPolarHBondContact O-CB 3.49Å; S1085-L1088 PolarHBondContact O-N 3.33Å; S1085-L1088 VanDerWaalsContact O-N 3.16Å; S1085-L1088 WeakPolarHBondContact OG-CB 3.46Å; S1085-L1088 PolarHBondContact OG-N 3.39Å; S1085-K1089 PolarHBondContact O-N 3.25Å; S1085-K1089 VanDerWaalsContact O-N 3.11Å | ||
| 1086 | N | 63.9 | Low | 66.6 | Low | 118.8 Ų | 118.8 | 74.2 Ų | 74.2 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63 | -34.5 | 176.7 | -73.3 | -19.4 | 0 | 0 | 0 | 113.1 | S1084 L1088 K1089 M1090 | S1084-N1086 PolarHBondContact O-N 2.65Å; N1086-L1088 VanDerWaalsContact C-N 3.3Å; N1086-L1088 PolarHBondContact O-N 3.15Å; N1086-K1089 PolarHBondContact O-N 3.11Å; N1086-M1090 WeakPolarHBondContact O-CB 3.33Å; N1086-M1090 WeakPolarHBondContact O-CG 3.49Å; N1086-M1090 PolarHBondContact O-N 3.19Å |
| 1087 | I | 66.4 | Low | 66.3 | Low | 130.6 Ų | 130.6 | 77.2 Ų | 77.2 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 177.3 | -64.8 | 166.9 | 0 | 0 | 0 | 110.1 | S1085 M1090 F1091 | S1085-I1087 VanDerWaalsContact C-N 3.31Å; S1085-I1087 PolarHBondContact O-N 3.19Å; I1087-M1090 WeakPolarHBondContact O-CB 3.47Å; I1087-M1090 PolarHBondContact O-N 3.16Å; I1087-F1091 WeakPolarHBondContact O-CB 3.47Å; I1087-F1091 PolarHBondContact O-N 2.95Å |
| 1088 | L | 62.5 | Low | 66 | Low | 10 Ų | 10 | 78.1 Ų | 78.1 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.8 | -39 | 178.7 | -111.4 | 152.3 | 0 | 0 | 0 | 112.3 | L1078 F1082 S1085 N1086 M1090 F1091 L1092 F1124 | L1078-L1088 HydrophobicContact CB-CD1 4.27Å; L1078-L1088 HydrophobicContact CB-CD2 4.14Å; L1078-L1088 HydrophobicContact CD1-CD2 4.42Å; L1078-L1088 HydrophobicContact CD2-CD1 4.38Å; L1078-L1088 HydrophobicContact CD2-CD2 4.4Å; L1078-L1088 WeakPolarHBondContact O-CD2 2.76Å; F1082-L1088 HydrophobicContact CB-CB 4.28Å; F1082-L1088 HydrophobicContact CB-CD1 3.47Å; F1082-L1088 HydrophobicContact CB-CD2 4.23Å; F1082-L1088 HydrophobicContact CB-CG 4.39Å; F1082-L1088 HydrophobicContact CD1-CD1 3.83Å; F1082-L1088 HydrophobicContact CD2-CD1 3.55Å; F1082-L1088 HydrophobicContact CE1-CD1 4.26Å; F1082-L1088 HydrophobicContact CE2-CD1 4.25Å; F1082-L1088 HydrophobicContact CG-CD1 3.41Å; F1082-L1088 VanDerWaalsContact CG-CD1 3.46Å; F1082-L1088 HydrophobicContact CZ-CD1 4.37Å; S1085-L1088 WeakPolarHBondContact O-CB 3.49Å; S1085-L1088 PolarHBondContact O-N 3.33Å; S1085-L1088 VanDerWaalsContact O-N 3.16Å; S1085-L1088 WeakPolarHBondContact OG-CB 3.46Å; S1085-L1088 PolarHBondContact OG-N 3.39Å; N1086-L1088 VanDerWaalsContact C-N 3.3Å; N1086-L1088 PolarHBondContact O-N 3.15Å; L1088-M1090 VanDerWaalsContact C-N 3.28Å; L1088-M1090 PolarHBondContact O-N 3.01Å; L1088-F1091 PolarHBondContact O-N 2.93Å; L1088-F1091 VanDerWaalsContact O-N 3.16Å; L1088-L1092 HydrophobicContact CD2-CD1 3.88Å; L1088-L1092 HydrophobicContact CD2-CG 4.22Å; L1088-L1092 HydrophobicContact CG-CD1 4.5Å; L1088-L1092 VanDerWaalsContact O-CB 3.29Å; L1088-L1092 WeakPolarHBondContact O-CB 3.26Å; L1088-L1092 VanDerWaalsContact O-CG 3.28Å; L1088-L1092 WeakPolarHBondContact O-CG 3.41Å; L1088-L1092 PolarHBondContact O-N 3.08Å; L1088-F1124 HydrophobicContact CD1-CE1 3.79Å; L1088-F1124 HydrophobicContact CD1-CZ 3.92Å; L1088-F1124 HydrophobicContact CD2-CD1 4.37Å; L1088-F1124 HydrophobicContact CD2-CE1 3.49Å; L1088-F1124 HydrophobicContact CD2-CE2 4.04Å; L1088-F1124 HydrophobicContact CD2-CZ 3.41Å; L1088-F1124 HydrophobicContact CG-CE1 4.26Å; L1088-F1124 HydrophobicContact CG-CE2 4.34Å; L1088-F1124 HydrophobicContact CG-CZ 3.83Å; L1088-F1124 VanDerWaalsContact CG-CZ 3.5Å |
| 1089 | K | 66.6 | Low | 65.5 | Low | 118 Ų | 118 | 79.4 Ų | 79.4 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 170.4 | -73.4 | -179.4 | -179.5 | 173.8 | 0 | 111.8 | S1083 S1085 N1086 L1092 S1093 | S1083-K1089 VanDerWaalsContact O-CE 3.29Å; S1083-K1089 WeakPolarHBondContact O-CE 3.4Å; S1083-K1089 PolarHBondContact O-NZ 3.11Å; S1083-K1089 VanDerWaalsContact O-NZ 3.14Å; S1085-K1089 PolarHBondContact O-N 3.25Å; S1085-K1089 VanDerWaalsContact O-N 3.11Å; N1086-K1089 PolarHBondContact O-N 3.11Å; K1089-L1092 PolarHBondContact O-N 2.79Å; K1089-S1093 VanDerWaalsContact O-CB 3.25Å; K1089-S1093 WeakPolarHBondContact O-CB 3.4Å; K1089-S1093 PolarHBondContact O-N 3.05Å; K1089-S1093 PolarHBondContact O-OG 3.21Å |
| 1090 | M | 66.4 | Low | 65.1 | Low | 133.4 Ų | 133.4 | 78.5 Ų | 78.5 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 175.4 | -126 | -176.7 | 70.8 | 0 | 0 | 113.1 | N1086 I1087 L1088 S1093 K1094 | N1086-M1090 WeakPolarHBondContact O-CB 3.33Å; N1086-M1090 WeakPolarHBondContact O-CG 3.49Å; N1086-M1090 PolarHBondContact O-N 3.19Å; I1087-M1090 WeakPolarHBondContact O-CB 3.47Å; I1087-M1090 PolarHBondContact O-N 3.16Å; L1088-M1090 VanDerWaalsContact C-N 3.28Å; L1088-M1090 PolarHBondContact O-N 3.01Å; M1090-S1093 WeakPolarHBondContact CA-OG 3.41Å; M1090-S1093 PolarHBondContact O-OG 3.24Å; M1090-K1094 WeakPolarHBondContact O-CB 3.4Å; M1090-K1094 WeakPolarHBondContact O-CG 3.46Å; M1090-K1094 PolarHBondContact O-N 3.13Å; M1090-K1094 VanDerWaalsContact O-N 3.12Å |
| 1091 | F | 69.8 | Low | 64.6 | Low | 51.4 Ų | 51.4 | 75.2 Ų | 75.2 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 176.6 | -176.9 | -105.6 | 0 | 0 | 0 | 111.6 | I1087 L1088 K1094 I1095 K1120 M1121 F1124 | I1087-F1091 WeakPolarHBondContact O-CB 3.47Å; I1087-F1091 PolarHBondContact O-N 2.95Å; L1088-F1091 PolarHBondContact O-N 2.93Å; L1088-F1091 VanDerWaalsContact O-N 3.16Å; F1091-K1094 PolarHBondContact O-N 3.08Å; F1091-I1095 HydrophobicContact CD1-CD1 3.75Å; F1091-I1095 HydrophobicContact CE1-CD1 3.28Å; F1091-I1095 VanDerWaalsContact CE1-CD1 3.42Å; F1091-I1095 HydrophobicContact CE1-CG1 4.39Å; F1091-I1095 HydrophobicContact CE2-CD1 4.16Å; F1091-I1095 HydrophobicContact CG-CD1 4.4Å; F1091-I1095 HydrophobicContact CZ-CD1 3.59Å; F1091-I1095 VanDerWaalsContact CZ-CD1 3.43Å; F1091-I1095 HydrophobicContact CZ-CG1 4.38Å; F1091-I1095 WeakPolarHBondContact O-CG1 3.4Å; F1091-I1095 PolarHBondContact O-N 3.2Å; F1091-K1120 HydrophobicContact CE2-CB 4.34Å; F1091-K1120 HydrophobicContact CZ-CB 4.26Å; F1091-M1121 HydrophobicContact CE1-CG 4.37Å; F1091-M1121 HydrophobicContact CZ-CG 4.4Å; F1091-F1124 HydrophobicContact CD1-CD1 4.37Å; F1091-F1124 HydrophobicContact CD1-CD2 4.19Å; F1091-F1124 HydrophobicContact CD1-CE2 4.44Å; F1091-F1124 HydrophobicContact CD1-CG 4.19Å; F1091-F1124 HydrophobicContact CD2-CD2 4.46Å; F1091-F1124 HydrophobicContact CE1-CB 3.87Å; F1091-F1124 HydrophobicContact CE1-CD1 4.2Å; F1091-F1124 AromaticContact CE1-CD2 3.96Å; F1091-F1124 HydrophobicContact CE1-CD2 4.09Å; F1091-F1124 AromaticContact CE1-CG 3.7Å; F1091-F1124 HydrophobicContact CE1-CG 3.79Å; F1091-F1124 HydrophobicContact CE2-CB 4.46Å; F1091-F1124 HydrophobicContact CE2-CD2 4.4Å; F1091-F1124 HydrophobicContact CG-CD2 4.39Å; F1091-F1124 HydrophobicContact CZ-CB 3.87Å; F1091-F1124 HydrophobicContact CZ-CD2 4.21Å; F1091-F1124 AromaticContact CZ-CG 3.87Å; F1091-F1124 HydrophobicContact CZ-CG 4.04Å |
| 1092 | L | 67.5 | Low | 64 | Low | 20.2 Ų | 20.2 | 71.2 Ų | 71.2 | 11% | 0.106 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.6 | -71.8 | 172 | 0 | 0 | 0 | 112 | A1075 L1078 Q1079 L1088 K1089 K1094 I1095 K1096 M1121 | A1075-L1092 HydrophobicContact CB-CD2 4.06Å; L1078-L1092 HydrophobicContact CB-CD1 4.49Å; L1078-L1092 HydrophobicContact CB-CD2 4.31Å; Q1079-L1092 HydrophobicContact CB-CD1 4.24Å; Q1079-L1092 HydrophobicContact CG-CD1 3.5Å; L1088-L1092 HydrophobicContact CD2-CD1 3.88Å; L1088-L1092 HydrophobicContact CD2-CG 4.22Å; L1088-L1092 HydrophobicContact CG-CD1 4.5Å; L1088-L1092 VanDerWaalsContact O-CB 3.29Å; L1088-L1092 WeakPolarHBondContact O-CB 3.26Å; L1088-L1092 VanDerWaalsContact O-CG 3.28Å; L1088-L1092 WeakPolarHBondContact O-CG 3.41Å; L1088-L1092 PolarHBondContact O-N 3.08Å; K1089-L1092 PolarHBondContact O-N 2.79Å; L1092-K1094 VanDerWaalsContact C-N 3.35Å; L1092-K1094 PolarHBondContact O-N 3.01Å; L1092-I1095 PolarHBondContact O-N 3.22Å; L1092-K1096 VanDerWaalsContact O-CB 3.31Å; L1092-K1096 WeakPolarHBondContact O-CB 3.27Å; L1092-K1096 PolarHBondContact O-N 3.11Å; L1092-M1121 HydrophobicContact CD2-CE 4.46Å |
| 1093 | S | 69.1 | Low | 63.4 | Low | 57.2 Ų | 57.2 | 72.6 Ų | 72.6 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.3 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | K1089 M1090 I1095 K1096 V1097 | K1089-S1093 VanDerWaalsContact O-CB 3.25Å; K1089-S1093 WeakPolarHBondContact O-CB 3.4Å; K1089-S1093 PolarHBondContact O-N 3.05Å; K1089-S1093 PolarHBondContact O-OG 3.21Å; M1090-S1093 WeakPolarHBondContact CA-OG 3.41Å; M1090-S1093 PolarHBondContact O-OG 3.24Å; S1093-I1095 VanDerWaalsContact C-N 3.3Å; S1093-I1095 PolarHBondContact O-N 3.07Å; S1093-K1096 PolarHBondContact O-N 2.92Å; S1093-V1097 WeakPolarHBondContact O-CB 3.3Å; S1093-V1097 VanDerWaalsContact O-CG2 3.27Å; S1093-V1097 WeakPolarHBondContact O-CG2 3.32Å; S1093-V1097 PolarHBondContact O-N 3.21Å |
| 1094 | K | 69.9 | Low | 62.9 | Low | 141.2 Ų | 141.2 | 73.3 Ų | 73.3 | 61% | 0.614 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 174.9 | -153 | 170.8 | -174.7 | 171.2 | 0 | 112.5 | M1090 F1091 L1092 N1098 | M1090-K1094 WeakPolarHBondContact O-CB 3.4Å; M1090-K1094 WeakPolarHBondContact O-CG 3.46Å; M1090-K1094 PolarHBondContact O-N 3.13Å; M1090-K1094 VanDerWaalsContact O-N 3.12Å; F1091-K1094 PolarHBondContact O-N 3.08Å; L1092-K1094 VanDerWaalsContact C-N 3.35Å; L1092-K1094 PolarHBondContact O-N 3.01Å; K1094-N1098 WeakPolarHBondContact O-CB 3.44Å; K1094-N1098 VanDerWaalsContact O-CG 3.27Å; K1094-N1098 PolarHBondContact O-N 3.21Å; K1094-N1098 VanDerWaalsContact O-N 3.08Å; K1094-N1098 PolarHBondContact O-ND2 3.05Å; K1094-N1098 PolarHBondContact O-OD1 3.49Å |
| 1095 | I | 66.4 | Low | 62.2 | Low | 7.8 Ų | 7.8 | 70 Ų | 70 | 4% | 0.04 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70 | -45.1 | 173.9 | -71.9 | 171.5 | 0 | 0 | 0 | 111.1 | I1071 F1091 L1092 S1093 V1097 N1098 L1099 C1117 M1121 | I1071-I1095 HydrophobicContact CG2-CG2 4.35Å; F1091-I1095 HydrophobicContact CD1-CD1 3.75Å; F1091-I1095 HydrophobicContact CE1-CD1 3.28Å; F1091-I1095 VanDerWaalsContact CE1-CD1 3.42Å; F1091-I1095 HydrophobicContact CE1-CG1 4.39Å; F1091-I1095 HydrophobicContact CE2-CD1 4.16Å; F1091-I1095 HydrophobicContact CG-CD1 4.4Å; F1091-I1095 HydrophobicContact CZ-CD1 3.59Å; F1091-I1095 VanDerWaalsContact CZ-CD1 3.43Å; F1091-I1095 HydrophobicContact CZ-CG1 4.38Å; F1091-I1095 WeakPolarHBondContact O-CG1 3.4Å; F1091-I1095 PolarHBondContact O-N 3.2Å; L1092-I1095 PolarHBondContact O-N 3.22Å; S1093-I1095 VanDerWaalsContact C-N 3.3Å; S1093-I1095 PolarHBondContact O-N 3.07Å; I1095-V1097 VanDerWaalsContact C-N 3.3Å; I1095-V1097 PolarHBondContact O-N 3.29Å; I1095-N1098 CarbonylContact O-C 3.56Å; I1095-N1098 PolarHBondContact O-N 3.08Å; I1095-N1098 VanDerWaalsContact O-N 3.09Å; I1095-L1099 HydrophobicContact CG2-CD1 3.65Å; I1095-L1099 HydrophobicContact CG2-CG 4.19Å; I1095-L1099 WeakPolarHBondContact O-CB 3.1Å; I1095-L1099 WeakPolarHBondContact O-CG 3.4Å; I1095-L1099 PolarHBondContact O-N 3.19Å; I1095-C1117 HydrophobicContact CG2-CB 4.48Å; I1095-M1121 HydrophobicContact CD1-CG 3.65Å; I1095-M1121 HydrophobicContact CD1-SD 4.26Å; I1095-M1121 HydrophobicContact CG2-SD 4.34Å |
| 1096 | K | 68.1 | Low | 61.6 | Low | 120 Ų | 120 | 73.5 Ų | 73.5 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 178.9 | -164.2 | 170.8 | -176.6 | 175.5 | 0 | 111.4 | D905 L1092 S1093 L1099 N1100 | D905-K1096 IonicContact OD1-NZ 2.74Å; D905-K1096 IonicContact OD2-NZ 2.68Å; D905-K1096 PolarHBondContact OD2-NZ 3.48Å; L1092-K1096 VanDerWaalsContact O-CB 3.31Å; L1092-K1096 WeakPolarHBondContact O-CB 3.27Å; L1092-K1096 PolarHBondContact O-N 3.11Å; S1093-K1096 PolarHBondContact O-N 2.92Å; K1096-L1099 PolarHBondContact O-N 3.19Å; K1096-N1100 WeakPolarHBondContact O-CB 3.26Å; K1096-N1100 PolarHBondContact O-N 3.19Å; K1096-N1100 PolarHBondContact O-ND2 3.29Å; K1096-N1100 PolarHBondContact O-OD1 3.09Å |
| 1097 | V | 65.9 | Low | 61.1 | Low | 88.6 Ų | 88.6 | 72.3 Ų | 72.3 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 172.6 | 172 | 0 | 0 | 0 | 0 | 111.6 | S1093 I1095 L1099 N1100 S1101 | S1093-V1097 WeakPolarHBondContact O-CB 3.3Å; S1093-V1097 VanDerWaalsContact O-CG2 3.27Å; S1093-V1097 WeakPolarHBondContact O-CG2 3.32Å; S1093-V1097 PolarHBondContact O-N 3.21Å; I1095-V1097 VanDerWaalsContact C-N 3.3Å; I1095-V1097 PolarHBondContact O-N 3.29Å; V1097-L1099 VanDerWaalsContact C-N 3.34Å; V1097-L1099 PolarHBondContact O-N 3.1Å; V1097-N1100 PolarHBondContact O-N 3.23Å; V1097-S1101 WeakPolarHBondContact O-CB 3.39Å; V1097-S1101 PolarHBondContact O-N 3.15Å; V1097-S1101 VanDerWaalsContact O-N 3.1Å; V1097-S1101 PolarHBondContact O-OG 3.28Å |
| 1098 | N | 64.6 | Low | 60.5 | Low | 50.6 Ų | 50.6 | 73 Ų | 73 | 27% | 0.271 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.9 | -70.7 | -23.1 | 0 | 0 | 0 | 112.7 | K1094 I1095 S1101 A1102 C1117 | K1094-N1098 WeakPolarHBondContact O-CB 3.44Å; K1094-N1098 VanDerWaalsContact O-CG 3.27Å; K1094-N1098 PolarHBondContact O-N 3.21Å; K1094-N1098 VanDerWaalsContact O-N 3.08Å; K1094-N1098 PolarHBondContact O-ND2 3.05Å; K1094-N1098 PolarHBondContact O-OD1 3.49Å; I1095-N1098 CarbonylContact O-C 3.56Å; I1095-N1098 PolarHBondContact O-N 3.08Å; I1095-N1098 VanDerWaalsContact O-N 3.09Å; N1098-S1101 WeakPolarHBondContact CA-OG 3.35Å; N1098-S1101 PolarHBondContact O-N 3.4Å; N1098-S1101 PolarHBondContact O-OG 3.16Å; N1098-S1101 VanDerWaalsContact O-OG 3.05Å; N1098-A1102 VanDerWaalsContact O-CB 3.25Å; N1098-A1102 WeakPolarHBondContact O-CB 3.25Å; N1098-A1102 PolarHBondContact O-N 3.06Å; N1098-C1117 VanDerWaalsContact CB-SG 3.52Å |
| 1099 | L | 60.8 | Low | 60.3 | Low | 27.4 Ų | 27.4 | 78.2 Ų | 78.2 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 175.4 | -73.6 | 164.1 | 0 | 0 | 0 | 111.6 | I1071 I1095 K1096 V1097 S1101 A1102 N1103 K1114 | I1071-L1099 HydrophobicContact CD1-CD2 4.12Å; I1071-L1099 HydrophobicContact CG2-CD1 3.45Å; I1071-L1099 VanDerWaalsContact CG2-CD1 3.48Å; I1071-L1099 HydrophobicContact CG2-CD2 4.04Å; I1071-L1099 HydrophobicContact CG2-CG 4.25Å; I1095-L1099 HydrophobicContact CG2-CD1 3.65Å; I1095-L1099 HydrophobicContact CG2-CG 4.19Å; I1095-L1099 WeakPolarHBondContact O-CB 3.1Å; I1095-L1099 WeakPolarHBondContact O-CG 3.4Å; I1095-L1099 PolarHBondContact O-N 3.19Å; K1096-L1099 PolarHBondContact O-N 3.19Å; V1097-L1099 VanDerWaalsContact C-N 3.34Å; V1097-L1099 PolarHBondContact O-N 3.1Å; L1099-S1101 VanDerWaalsContact C-N 3.3Å; L1099-S1101 PolarHBondContact O-N 3.07Å; L1099-A1102 CarbonylContact O-C 3.47Å; L1099-A1102 WeakPolarHBondContact O-CA 3.31Å; L1099-A1102 WeakPolarHBondContact O-CB 3.37Å; L1099-A1102 PolarHBondContact O-N 3.32Å; L1099-N1103 PolarHBondContact O-N 3.32Å; L1099-N1103 VanDerWaalsContact O-N 3.08Å; L1099-K1114 HydrophobicContact CD2-CG 4.34Å |
| 1100 | N | 63.2 | Low | 60.3 | Low | 87.2 Ų | 87.2 | 73.3 Ų | 73.3 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 177.3 | -70.5 | -1.5 | 0 | 0 | 0 | 111.3 | K1096 V1097 A1102 N1103 | K1096-N1100 WeakPolarHBondContact O-CB 3.26Å; K1096-N1100 PolarHBondContact O-N 3.19Å; K1096-N1100 PolarHBondContact O-ND2 3.29Å; K1096-N1100 PolarHBondContact O-OD1 3.09Å; V1097-N1100 PolarHBondContact O-N 3.23Å; N1100-A1102 VanDerWaalsContact C-N 3.31Å; N1100-A1102 PolarHBondContact O-N 3.18Å; N1100-N1103 PolarHBondContact O-N 3.13Å |
| 1101 | S | 57.5 | Low | 60.4 | Low | 53.4 Ų | 53.4 | 67.7 Ų | 67.7 | 37% | 0.373 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.8 | -24.9 | 172.3 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | V1097 N1098 L1099 N1103 T1104 A1105 | V1097-S1101 WeakPolarHBondContact O-CB 3.39Å; V1097-S1101 PolarHBondContact O-N 3.15Å; V1097-S1101 VanDerWaalsContact O-N 3.1Å; V1097-S1101 PolarHBondContact O-OG 3.28Å; N1098-S1101 WeakPolarHBondContact CA-OG 3.35Å; N1098-S1101 PolarHBondContact O-N 3.4Å; N1098-S1101 PolarHBondContact O-OG 3.16Å; N1098-S1101 VanDerWaalsContact O-OG 3.05Å; L1099-S1101 VanDerWaalsContact C-N 3.3Å; L1099-S1101 PolarHBondContact O-N 3.07Å; S1101-N1103 VanDerWaalsContact C-N 3.28Å; S1101-N1103 PolarHBondContact O-N 3.02Å; S1101-T1104 PolarHBondContact O-N 3.2Å; S1101-T1104 PolarHBondContact O-OG1 3Å; S1101-T1104 VanDerWaalsContact O-OG1 3.11Å; S1101-A1105 PolarHBondContact O-N 3.23Å |
| 1102 | A | 51.7 | Low | 60.5 | Low | 0.8 Ų | 0.8 | 71.3 Ų | 71.3 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -81.3 | -0.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1098 L1099 N1100 T1104 A1105 N1110 L1113 K1114 | N1098-A1102 VanDerWaalsContact O-CB 3.25Å; N1098-A1102 WeakPolarHBondContact O-CB 3.25Å; N1098-A1102 PolarHBondContact O-N 3.06Å; L1099-A1102 CarbonylContact O-C 3.47Å; L1099-A1102 WeakPolarHBondContact O-CA 3.31Å; L1099-A1102 WeakPolarHBondContact O-CB 3.37Å; L1099-A1102 PolarHBondContact O-N 3.32Å; N1100-A1102 VanDerWaalsContact C-N 3.31Å; N1100-A1102 PolarHBondContact O-N 3.18Å; A1102-T1104 PolarHBondContact O-N 3.15Å; A1102-A1105 PolarHBondContact O-N 3.22Å; A1102-N1110 VanDerWaalsContact C-CG 3.47Å; A1102-N1110 VanDerWaalsContact CA-OD1 3.24Å; A1102-N1110 WeakPolarHBondContact CA-OD1 3.25Å; A1102-N1110 HydrophobicContact CB-CB 4.29Å; A1102-N1110 VanDerWaalsContact CB-OD1 3.31Å; A1102-N1110 WeakPolarHBondContact CB-OD1 3.19Å; A1102-N1110 VanDerWaalsContact O-CB 3.27Å; A1102-N1110 WeakPolarHBondContact O-CB 3.31Å; A1102-N1110 PolarHBondContact O-ND2 3.13Å; A1102-N1110 PolarHBondContact O-OD1 3.04Å; A1102-L1113 HydrophobicContact CB-CB 4.06Å; A1102-L1113 HydrophobicContact CB-CD1 4.18Å; A1102-K1114 HydrophobicContact CB-CG 4.34Å; A1102-K1114 VanDerWaalsContact O-CE 3.28Å; A1102-K1114 WeakPolarHBondContact O-CE 3.49Å |
| 1103 | N | 52.5 | Low | 60.7 | Low | 92.4 Ų | 92.4 | 72.8 Ų | 72.8 | 49% | 0.494 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.3 | 170.7 | -73.8 | -15.2 | 0 | 0 | 0 | 112.8 | L1099 N1100 S1101 K1114 | L1099-N1103 PolarHBondContact O-N 3.32Å; L1099-N1103 VanDerWaalsContact O-N 3.08Å; N1100-N1103 PolarHBondContact O-N 3.13Å; S1101-N1103 VanDerWaalsContact C-N 3.28Å; S1101-N1103 PolarHBondContact O-N 3.02Å; N1103-K1114 PolarHBondContact OD1-NZ 3.21Å |
| 1104 | T | 48.1 | Very low | 61 | Low | 88 Ų | 88 | 70.6 Ų | 70.6 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -107.5 | -11.3 | -177.6 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | S1101 A1102 Y1559 | S1101-T1104 PolarHBondContact O-N 3.2Å; S1101-T1104 PolarHBondContact O-OG1 3Å; S1101-T1104 VanDerWaalsContact O-OG1 3.11Å; A1102-T1104 PolarHBondContact O-N 3.15Å; T1104-Y1559 VanDerWaalsContact O-CE1 3.26Å; T1104-Y1559 WeakPolarHBondContact O-CE1 3.31Å |
| 1105 | A | 42.7 | Very low | 61.3 | Low | 38 Ų | 38 | 64.9 Ų | 64.9 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -95.2 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1101 A1102 H1109 N1110 | S1101-A1105 PolarHBondContact O-N 3.23Å; A1102-A1105 PolarHBondContact O-N 3.22Å; A1105-H1109 HydrophobicContact CB-CB 4.28Å; A1105-N1110 WeakPolarHBondContact CA-OD1 3.49Å; A1105-N1110 WeakPolarHBondContact CB-OD1 3.28Å; A1105-N1110 PolarHBondContact N-OD1 3.21Å; A1105-N1110 VanDerWaalsContact O-CG 3.3Å; A1105-N1110 PolarHBondContact O-ND2 3.05Å; A1105-N1110 PolarHBondContact O-OD1 3.33Å |
| 1106 | N | 50.3 | Low | 61.8 | Low | 108.8 Ų | 108.8 | 68.8 Ų | 68.8 | 58% | 0.582 | 36% | 0.361 | S | S | * | . | trans | -58.7 | 143.4 | 175.3 | -77.2 | -22.9 | 0 | 0 | 0 | 112.3 | S35 V37 H1108 H1109 N1110 | S35-N1106 PolarHBondContact OG-ND2 3.41Å; V37-N1106 WeakPolarHBondContact CG2-OD1 3.37Å; N1106-H1108 VanDerWaalsContact C-N 3.28Å; N1106-H1108 PolarHBondContact O-N 3.04Å; N1106-H1108 VanDerWaalsContact O-N 3.08Å; N1106-H1109 HydrophobicContact CB-CB 4.49Å; N1106-H1109 WeakPolarHBondContact O-CA 3.17Å; N1106-H1109 PolarHBondContact O-N 3.16Å; N1106-N1110 WeakPolarHBondContact O-CB 3.42Å; N1106-N1110 PolarHBondContact O-N 2.98Å; N1106-N1110 VanDerWaalsContact O-N 3.1Å | ||
| 1107 | D | 53 | Low | 62.2 | Low | 92.8 Ų | 92.8 | 63.3 Ų | 63.3 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -43.6 | -44.5 | -175.9 | -78.8 | -13.9 | 0 | 0 | 0 | 114.6 | H1109 N1110 L1111 S1515 K1519 | D1107-H1109 PolarHBondContact O-N 2.98Å; D1107-N1110 WeakPolarHBondContact O-CB 3.49Å; D1107-N1110 PolarHBondContact O-N 3.2Å; D1107-L1111 WeakPolarHBondContact O-CB 3.48Å; D1107-L1111 PolarHBondContact O-N 3.11Å; D1107-S1515 WeakPolarHBondContact OD1-CB 3.24Å; D1107-S1515 WeakPolarHBondContact OD2-CB 3.26Å; D1107-K1519 WeakPolarHBondContact OD2-CE 3.43Å; D1107-K1519 IonicContact OD2-NZ 3.5Å; D1107-K1519 PolarHBondContact OD2-NZ 3.09Å |
| 1108 | H | 54.3 | Low | 63 | Low | 145.2 Ų | 145.2 | 59.1 Ų | 59.1 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.6 | -36.8 | -177.8 | -157.2 | 60.1 | 0 | 0 | 0 | 112.9 | N1106 N1110 L1111 K1112 | N1106-H1108 VanDerWaalsContact C-N 3.28Å; N1106-H1108 PolarHBondContact O-N 3.04Å; N1106-H1108 VanDerWaalsContact O-N 3.08Å; H1108-N1110 VanDerWaalsContact C-N 3.33Å; H1108-L1111 PolarHBondContact O-N 2.81Å; H1108-K1112 WeakPolarHBondContact O-CB 3.02Å; H1108-K1112 PolarHBondContact O-N 3.18Å; H1108-K1112 VanDerWaalsContact O-N 3.1Å |
| 1109 | H | 58.7 | Low | 63.7 | Low | 118.8 Ų | 118.8 | 58.2 Ų | 58.2 | 55% | 0.55 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -72.3 | -38 | 175.8 | -133.4 | -18.4 | 0 | 0 | 0 | 111.2 | A1105 N1106 D1107 L1111 K1112 L1113 | A1105-H1109 HydrophobicContact CB-CB 4.28Å; N1106-H1109 HydrophobicContact CB-CB 4.49Å; N1106-H1109 WeakPolarHBondContact O-CA 3.17Å; N1106-H1109 PolarHBondContact O-N 3.16Å; D1107-H1109 PolarHBondContact O-N 2.98Å; H1109-L1111 VanDerWaalsContact C-N 3.34Å; H1109-L1111 PolarHBondContact O-N 3.32Å; H1109-K1112 PolarHBondContact O-N 2.96Å; H1109-K1112 VanDerWaalsContact O-N 3.16Å; H1109-L1113 WeakPolarHBondContact O-CB 3.46Å; H1109-L1113 WeakPolarHBondContact O-CG 3.28Å; H1109-L1113 PolarHBondContact O-N 3.03Å |
| 1110 | N | 66.3 | Low | 64.6 | Low | 15.2 Ų | 15.2 | 62.4 Ų | 62.4 | 8% | 0.081 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 174.1 | -81.8 | -14.3 | 0 | 0 | 0 | 111.2 | A1102 A1105 N1106 D1107 H1108 K1112 L1113 K1114 | A1102-N1110 VanDerWaalsContact C-CG 3.47Å; A1102-N1110 VanDerWaalsContact CA-OD1 3.24Å; A1102-N1110 WeakPolarHBondContact CA-OD1 3.25Å; A1102-N1110 HydrophobicContact CB-CB 4.29Å; A1102-N1110 VanDerWaalsContact CB-OD1 3.31Å; A1102-N1110 WeakPolarHBondContact CB-OD1 3.19Å; A1102-N1110 VanDerWaalsContact O-CB 3.27Å; A1102-N1110 WeakPolarHBondContact O-CB 3.31Å; A1102-N1110 PolarHBondContact O-ND2 3.13Å; A1102-N1110 PolarHBondContact O-OD1 3.04Å; A1105-N1110 WeakPolarHBondContact CA-OD1 3.49Å; A1105-N1110 WeakPolarHBondContact CB-OD1 3.28Å; A1105-N1110 PolarHBondContact N-OD1 3.21Å; A1105-N1110 VanDerWaalsContact O-CG 3.3Å; A1105-N1110 PolarHBondContact O-ND2 3.05Å; A1105-N1110 PolarHBondContact O-OD1 3.33Å; N1106-N1110 WeakPolarHBondContact O-CB 3.42Å; N1106-N1110 PolarHBondContact O-N 2.98Å; N1106-N1110 VanDerWaalsContact O-N 3.1Å; D1107-N1110 WeakPolarHBondContact O-CB 3.49Å; D1107-N1110 PolarHBondContact O-N 3.2Å; H1108-N1110 VanDerWaalsContact C-N 3.33Å; N1110-K1112 PolarHBondContact O-N 3.11Å; N1110-L1113 PolarHBondContact O-N 3.07Å; N1110-K1114 VanDerWaalsContact O-CB 3.29Å; N1110-K1114 WeakPolarHBondContact O-CB 3.35Å; N1110-K1114 VanDerWaalsContact O-CG 3.26Å; N1110-K1114 WeakPolarHBondContact O-CG 3.3Å; N1110-K1114 PolarHBondContact O-N 2.97Å; N1110-K1114 WeakPolarHBondContact OD1-CD 3.18Å; N1110-K1114 WeakPolarHBondContact OD1-CE 3.34Å; N1110-K1114 PolarHBondContact OD1-NZ 3.1Å |
| 1111 | L | 68.2 | Low | 65.4 | Low | 17.4 Ų | 17.4 | 58.3 Ų | 58.3 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.6 | -175.5 | 89.3 | 0 | 0 | 0 | 111.4 | L1063 L1067 D1107 H1108 H1109 L1113 K1114 M1115 P1145 I1147 | L1063-L1111 HydrophobicContact CB-CD1 4.28Å; L1063-L1111 HydrophobicContact CD2-CD1 4.21Å; L1063-L1111 HydrophobicContact CG-CD1 4.14Å; L1067-L1111 HydrophobicContact CD1-CD1 4.32Å; D1107-L1111 WeakPolarHBondContact O-CB 3.48Å; D1107-L1111 PolarHBondContact O-N 3.11Å; H1108-L1111 PolarHBondContact O-N 2.81Å; H1109-L1111 VanDerWaalsContact C-N 3.34Å; H1109-L1111 PolarHBondContact O-N 3.32Å; L1111-L1113 VanDerWaalsContact C-N 3.34Å; L1111-L1113 PolarHBondContact O-N 2.93Å; L1111-K1114 WeakPolarHBondContact O-CB 3.38Å; L1111-K1114 PolarHBondContact O-N 3.28Å; L1111-K1114 VanDerWaalsContact O-N 3.14Å; L1111-M1115 HydrophobicContact CD1-CE 4.03Å; L1111-M1115 HydrophobicContact CD2-CE 4.11Å; L1111-M1115 HydrophobicContact CD2-CG 4.28Å; L1111-M1115 HydrophobicContact CD2-SD 3.37Å; L1111-M1115 WeakPolarHBondContact CD2-SD 3.3Å; L1111-M1115 HydrophobicContact CG-CE 3.86Å; L1111-M1115 HydrophobicContact CG-CG 4.48Å; L1111-M1115 HydrophobicContact CG-SD 4.14Å; L1111-M1115 WeakPolarHBondContact O-CB 3.31Å; L1111-M1115 VanDerWaalsContact O-CG 3.26Å; L1111-M1115 WeakPolarHBondContact O-CG 3.31Å; L1111-M1115 PolarHBondContact O-N 3.13Å; L1111-P1145 HydrophobicContact CD1-CG 4.19Å; L1111-P1145 HydrophobicContact CD2-CG 4.02Å; L1111-I1147 HydrophobicContact CD1-CD1 3.68Å; L1111-I1147 HydrophobicContact CD1-CG1 4.33Å; L1111-I1147 HydrophobicContact CD1-CG2 4.03Å; L1111-I1147 HydrophobicContact CD2-CB 4.3Å; L1111-I1147 HydrophobicContact CD2-CD1 3.84Å; L1111-I1147 HydrophobicContact CD2-CG1 4.05Å; L1111-I1147 HydrophobicContact CD2-CG2 3.52Å; L1111-I1147 HydrophobicContact CG-CG2 4.3Å |
| 1112 | K | 72.5 | Confident | 66.5 | Low | 126.4 Ų | 126.4 | 55.8 Ų | 55.8 | 55% | 0.55 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.9 | -167.9 | 168.8 | -173.8 | 167.4 | 0 | 112.8 | H1108 H1109 N1110 M1115 L1116 | H1108-K1112 WeakPolarHBondContact O-CB 3.02Å; H1108-K1112 PolarHBondContact O-N 3.18Å; H1108-K1112 VanDerWaalsContact O-N 3.1Å; H1109-K1112 PolarHBondContact O-N 2.96Å; H1109-K1112 VanDerWaalsContact O-N 3.16Å; N1110-K1112 PolarHBondContact O-N 3.11Å; K1112-M1115 PolarHBondContact O-N 3.03Å; K1112-L1116 WeakPolarHBondContact O-CB 3.31Å; K1112-L1116 VanDerWaalsContact O-CG 3.3Å; K1112-L1116 WeakPolarHBondContact O-CG 3.37Å; K1112-L1116 PolarHBondContact O-N 3.13Å; K1112-L1116 VanDerWaalsContact O-N 3.08Å |
| 1113 | L | 71.4 | Confident | 67.8 | Low | 51 Ų | 51 | 61.6 Ų | 61.6 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.3 | -76.8 | 164.9 | 0 | 0 | 0 | 111.7 | A1102 H1109 N1110 L1111 L1116 C1117 | A1102-L1113 HydrophobicContact CB-CB 4.06Å; A1102-L1113 HydrophobicContact CB-CD1 4.18Å; H1109-L1113 WeakPolarHBondContact O-CB 3.46Å; H1109-L1113 WeakPolarHBondContact O-CG 3.28Å; H1109-L1113 PolarHBondContact O-N 3.03Å; N1110-L1113 PolarHBondContact O-N 3.07Å; L1111-L1113 VanDerWaalsContact C-N 3.34Å; L1111-L1113 PolarHBondContact O-N 2.93Å; L1113-L1116 WeakPolarHBondContact O-CB 3.32Å; L1113-L1116 PolarHBondContact O-N 3.24Å; L1113-C1117 WeakPolarHBondContact O-CB 3.41Å; L1113-C1117 PolarHBondContact O-N 3.19Å; L1113-C1117 PolarHBondContact O-SG 3.16Å; L1113-C1117 VanDerWaalsContact O-SG 3.38Å |
| 1114 | K | 74.5 | Confident | 69 | Low | 12.2 Ų | 12.2 | 59.2 Ų | 59.2 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.1 | -72.1 | 171.3 | -178.5 | -167.6 | 0 | 111.8 | L1067 D1068 L1099 A1102 N1103 N1110 L1111 L1116 C1117 F1118 | L1067-K1114 HydrophobicContact CB-CB 4.42Å; L1067-K1114 HydrophobicContact CD1-CB 4.36Å; D1068-K1114 VanDerWaalsContact CG-NZ 3.25Å; D1068-K1114 VanDerWaalsContact OD1-CD 3.26Å; D1068-K1114 WeakPolarHBondContact OD1-CD 3.3Å; D1068-K1114 WeakPolarHBondContact OD1-CE 3.29Å; D1068-K1114 IonicContact OD1-NZ 3.55Å; D1068-K1114 PolarHBondContact OD1-NZ 3.26Å; D1068-K1114 VanDerWaalsContact OD1-NZ 3.14Å; D1068-K1114 WeakPolarHBondContact OD2-CE 3.29Å; D1068-K1114 IonicContact OD2-NZ 3.27Å; D1068-K1114 PolarHBondContact OD2-NZ 2.99Å; L1099-K1114 HydrophobicContact CD2-CG 4.34Å; A1102-K1114 HydrophobicContact CB-CG 4.34Å; A1102-K1114 VanDerWaalsContact O-CE 3.28Å; A1102-K1114 WeakPolarHBondContact O-CE 3.49Å; N1103-K1114 PolarHBondContact OD1-NZ 3.21Å; N1110-K1114 VanDerWaalsContact O-CB 3.29Å; N1110-K1114 WeakPolarHBondContact O-CB 3.35Å; N1110-K1114 VanDerWaalsContact O-CG 3.26Å; N1110-K1114 WeakPolarHBondContact O-CG 3.3Å; N1110-K1114 PolarHBondContact O-N 2.97Å; N1110-K1114 WeakPolarHBondContact OD1-CD 3.18Å; N1110-K1114 WeakPolarHBondContact OD1-CE 3.34Å; N1110-K1114 PolarHBondContact OD1-NZ 3.1Å; L1111-K1114 WeakPolarHBondContact O-CB 3.38Å; L1111-K1114 PolarHBondContact O-N 3.28Å; L1111-K1114 VanDerWaalsContact O-N 3.14Å; K1114-L1116 VanDerWaalsContact C-N 3.35Å; K1114-L1116 PolarHBondContact O-N 3.22Å; K1114-C1117 PolarHBondContact O-N 2.98Å; K1114-F1118 WeakPolarHBondContact O-CB 3.29Å; K1114-F1118 PolarHBondContact O-N 3.08Å |
| 1115 | M | 76.5 | Confident | 70.3 | Confident | 20.8 Ų | 20.8 | 55 Ų | 55 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 172.7 | -66.9 | 161.4 | 97.8 | 0 | 0 | 111.7 | L1063 L1067 L1111 K1112 C1117 F1118 N1119 I1147 D1150 W1151 | L1063-M1115 HydrophobicContact CD2-CE 4.05Å; L1067-M1115 HydrophobicContact CD1-CG 4Å; L1111-M1115 HydrophobicContact CD1-CE 4.03Å; L1111-M1115 HydrophobicContact CD2-CE 4.11Å; L1111-M1115 HydrophobicContact CD2-CG 4.28Å; L1111-M1115 HydrophobicContact CD2-SD 3.37Å; L1111-M1115 WeakPolarHBondContact CD2-SD 3.3Å; L1111-M1115 HydrophobicContact CG-CE 3.86Å; L1111-M1115 HydrophobicContact CG-CG 4.48Å; L1111-M1115 HydrophobicContact CG-SD 4.14Å; L1111-M1115 WeakPolarHBondContact O-CB 3.31Å; L1111-M1115 VanDerWaalsContact O-CG 3.26Å; L1111-M1115 WeakPolarHBondContact O-CG 3.31Å; L1111-M1115 PolarHBondContact O-N 3.13Å; K1112-M1115 PolarHBondContact O-N 3.03Å; M1115-C1117 VanDerWaalsContact C-N 3.34Å; M1115-C1117 PolarHBondContact O-N 3.03Å; M1115-F1118 PolarHBondContact O-N 2.97Å; M1115-N1119 WeakPolarHBondContact O-CB 3.37Å; M1115-N1119 VanDerWaalsContact O-CG 3.31Å; M1115-N1119 PolarHBondContact O-N 3.25Å; M1115-N1119 PolarHBondContact O-ND2 3.08Å; M1115-I1147 HydrophobicContact CE-CG2 3.66Å; M1115-D1150 HydrophobicContact CE-CB 3.82Å; M1115-D1150 VanDerWaalsContact CE-O 3.27Å; M1115-D1150 WeakPolarHBondContact CE-O 3.44Å; M1115-D1150 HydrophobicContact SD-CB 4.08Å; M1115-W1151 HydrophobicContact CB-CB 3.97Å; M1115-W1151 HydrophobicContact CE-CB 3.66Å; M1115-W1151 HydrophobicContact CE-CG 4.31Å; M1115-W1151 HydrophobicContact CG-CB 4.09Å; M1115-W1151 HydrophobicContact SD-CB 4.35Å |
| 1116 | L | 76.4 | Confident | 71.8 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 176.9 | -75.3 | 168.7 | 0 | 0 | 0 | 112.8 | K1112 L1113 K1114 K1120 | K1112-L1116 WeakPolarHBondContact O-CB 3.31Å; K1112-L1116 VanDerWaalsContact O-CG 3.3Å; K1112-L1116 WeakPolarHBondContact O-CG 3.37Å; K1112-L1116 PolarHBondContact O-N 3.13Å; K1112-L1116 VanDerWaalsContact O-N 3.08Å; L1113-L1116 WeakPolarHBondContact O-CB 3.32Å; L1113-L1116 PolarHBondContact O-N 3.24Å; K1114-L1116 VanDerWaalsContact C-N 3.35Å; K1114-L1116 PolarHBondContact O-N 3.22Å; L1116-K1120 WeakPolarHBondContact O-CG 3.34Å; L1116-K1120 PolarHBondContact O-N 3.07Å; L1116-K1120 VanDerWaalsContact O-N 3.12Å |
| 1117 | C | 76.5 | Confident | 73 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 175.2 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | I1071 I1095 N1098 L1113 K1114 M1115 N1119 K1120 M1121 | I1071-C1117 HydrophobicContact CD1-CB 4.25Å; I1095-C1117 HydrophobicContact CG2-CB 4.48Å; N1098-C1117 VanDerWaalsContact CB-SG 3.52Å; L1113-C1117 WeakPolarHBondContact O-CB 3.41Å; L1113-C1117 PolarHBondContact O-N 3.19Å; L1113-C1117 PolarHBondContact O-SG 3.16Å; L1113-C1117 VanDerWaalsContact O-SG 3.38Å; K1114-C1117 PolarHBondContact O-N 2.98Å; M1115-C1117 VanDerWaalsContact C-N 3.34Å; M1115-C1117 PolarHBondContact O-N 3.03Å; C1117-N1119 PolarHBondContact O-N 3.1Å; C1117-K1120 PolarHBondContact O-N 3.12Å; C1117-M1121 WeakPolarHBondContact O-CG 3.31Å; C1117-M1121 PolarHBondContact O-N 3.35Å |
| 1118 | F | 82.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.8 | -175.2 | -112.2 | 0 | 0 | 0 | 111.8 | L1067 W1070 I1071 L1074 K1114 M1115 K1120 M1121 I1122 F1135 W1151 F1162 | L1067-F1118 HydrophobicContact CD2-CB 4.04Å; L1067-F1118 HydrophobicContact CD2-CD1 3.76Å; L1067-F1118 HydrophobicContact CD2-CD2 4.07Å; L1067-F1118 HydrophobicContact CD2-CE1 4.18Å; L1067-F1118 HydrophobicContact CD2-CE2 4.44Å; L1067-F1118 HydrophobicContact CD2-CG 3.69Å; L1067-F1118 HydrophobicContact CD2-CZ 4.41Å; W1070-F1118 HydrophobicContact CB-CE2 4.22Å; W1070-F1118 HydrophobicContact CE3-CE1 4.41Å; W1070-F1118 AromaticContact CE3-CE2 3.72Å; W1070-F1118 HydrophobicContact CE3-CE2 3.72Å; W1070-F1118 AromaticContact CE3-CZ 3.57Å; W1070-F1118 HydrophobicContact CE3-CZ 3.57Å; W1070-F1118 VanDerWaalsContact CE3-CZ 3.48Å; W1070-F1118 HydrophobicContact CZ3-CE1 4.43Å; W1070-F1118 HydrophobicContact CZ3-CE2 4.44Å; W1070-F1118 AromaticContact CZ3-CZ 3.87Å; W1070-F1118 HydrophobicContact CZ3-CZ 3.87Å; I1071-F1118 HydrophobicContact CD1-CB 4.18Å; I1071-F1118 HydrophobicContact CG1-CB 4.33Å; I1071-F1118 HydrophobicContact CG1-CD2 4.16Å; L1074-F1118 HydrophobicContact CD1-CE2 4.31Å; K1114-F1118 WeakPolarHBondContact O-CB 3.29Å; K1114-F1118 PolarHBondContact O-N 3.08Å; M1115-F1118 PolarHBondContact O-N 2.97Å; F1118-K1120 VanDerWaalsContact C-N 3.31Å; F1118-K1120 PolarHBondContact O-N 3.06Å; F1118-M1121 WeakPolarHBondContact O-CA 3.35Å; F1118-M1121 WeakPolarHBondContact O-CB 3.3Å; F1118-M1121 PolarHBondContact O-N 3.12Å; F1118-M1121 VanDerWaalsContact O-N 3.08Å; F1118-I1122 HydrophobicContact CD1-CD1 3.7Å; F1118-I1122 HydrophobicContact CD1-CG1 4.29Å; F1118-I1122 HydrophobicContact CD2-CG1 4.42Å; F1118-I1122 HydrophobicContact CE1-CD1 3.65Å; F1118-I1122 HydrophobicContact CE1-CG1 4.02Å; F1118-I1122 HydrophobicContact CE2-CD1 4.15Å; F1118-I1122 HydrophobicContact CE2-CG1 4.29Å; F1118-I1122 HydrophobicContact CG-CD1 4.4Å; F1118-I1122 HydrophobicContact CG-CG1 4.44Å; F1118-I1122 HydrophobicContact CZ-CD1 3.69Å; F1118-I1122 HydrophobicContact CZ-CG1 4.02Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.38Å; F1118-I1122 PolarHBondContact O-N 3.15Å; F1118-F1135 AromaticContact CE2-CE1 3.99Å; F1118-F1135 HydrophobicContact CE2-CE1 4.06Å; F1118-F1135 HydrophobicContact CE2-CZ 4.46Å; F1118-F1135 HydrophobicContact CZ-CD1 4.33Å; F1118-F1135 AromaticContact CZ-CE1 3.94Å; F1118-F1135 HydrophobicContact CZ-CE1 4.1Å; F1118-F1135 HydrophobicContact CZ-CZ 4.43Å; F1118-W1151 AromaticContact CD1-CE3 3.82Å; F1118-W1151 HydrophobicContact CD1-CE3 4.12Å; F1118-W1151 HydrophobicContact CD1-CZ3 4.32Å; F1118-W1151 AromaticContact CE1-CE3 3.56Å; F1118-W1151 HydrophobicContact CE1-CE3 4.12Å; F1118-W1151 AromaticContact CE1-CZ3 3.75Å; F1118-W1151 HydrophobicContact CE1-CZ3 3.84Å; F1118-W1151 VanDerWaalsContact CE1-CZ3 3.48Å; F1118-W1151 HydrophobicContact CZ-CZ3 4.3Å; F1118-F1162 HydrophobicContact CE1-CE1 4.41Å; F1118-F1162 HydrophobicContact CE1-CZ 4.2Å; F1118-F1162 HydrophobicContact CZ-CE1 4.33Å; F1118-F1162 HydrophobicContact CZ-CZ 4.17Å |
| 1119 | N | 80.9 | Confident | 74.4 | Confident | 31.6 Ų | 31.6 | 52.2 Ų | 52.2 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 176.3 | -81 | -23.8 | 0 | 0 | 0 | 112.8 | M1115 C1117 M1121 I1122 W1123 D1150 W1151 P1153 | M1115-N1119 WeakPolarHBondContact O-CB 3.37Å; M1115-N1119 VanDerWaalsContact O-CG 3.31Å; M1115-N1119 PolarHBondContact O-N 3.25Å; M1115-N1119 PolarHBondContact O-ND2 3.08Å; C1117-N1119 PolarHBondContact O-N 3.1Å; N1119-M1121 VanDerWaalsContact C-N 3.31Å; N1119-M1121 PolarHBondContact O-N 3.43Å; N1119-I1122 PolarHBondContact O-N 3.07Å; N1119-W1123 PolarHBondContact O-N 3.14Å; N1119-W1123 VanDerWaalsContact O-N 3.11Å; N1119-D1150 PolarHBondContact ND2-O 3.37Å; N1119-W1151 PolarHBondContact ND2-O 3.29Å; N1119-W1151 PolarHBondContact OD1-O 3.21Å; N1119-P1153 WeakPolarHBondContact OD1-CB 3.39Å; N1119-P1153 VanDerWaalsContact OD1-CD 3.26Å; N1119-P1153 WeakPolarHBondContact OD1-CD 3.38Å; N1119-P1153 VanDerWaalsContact OD1-CG 3.28Å; N1119-P1153 WeakPolarHBondContact OD1-CG 3.34Å |
| 1120 | K | 79.3 | Confident | 74.8 | Confident | 115.8 Ų | 115.8 | 54.8 Ų | 54.8 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 173.7 | -75.9 | 174.8 | -178.9 | 172.7 | 0 | 112.3 | F1091 L1116 C1117 F1118 W1123 F1124 | F1091-K1120 HydrophobicContact CE2-CB 4.34Å; F1091-K1120 HydrophobicContact CZ-CB 4.26Å; L1116-K1120 WeakPolarHBondContact O-CG 3.34Å; L1116-K1120 PolarHBondContact O-N 3.07Å; L1116-K1120 VanDerWaalsContact O-N 3.12Å; C1117-K1120 PolarHBondContact O-N 3.12Å; F1118-K1120 VanDerWaalsContact C-N 3.31Å; F1118-K1120 PolarHBondContact O-N 3.06Å; K1120-W1123 PolarHBondContact O-N 3.06Å; K1120-F1124 WeakPolarHBondContact O-CB 3.21Å; K1120-F1124 PolarHBondContact O-N 3.16Å |
| 1121 | M | 78.8 | Confident | 75.1 | Confident | 0.6 Ų | 0.6 | 55.8 Ų | 55.8 | 0% | 0.003 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 176.3 | -70.9 | -171 | 78.4 | 0 | 0 | 112 | I1071 L1074 A1075 L1078 F1091 L1092 I1095 C1117 F1118 N1119 W1123 F1124 L1125 | I1071-M1121 HydrophobicContact CB-SD 4.27Å; I1071-M1121 HydrophobicContact CG1-SD 4.19Å; I1071-M1121 HydrophobicContact CG2-SD 3.79Å; L1074-M1121 HydrophobicContact CB-CE 3.4Å; L1074-M1121 VanDerWaalsContact CB-CE 3.47Å; L1074-M1121 HydrophobicContact CB-SD 4.42Å; L1074-M1121 HydrophobicContact CD1-CE 4.17Å; L1074-M1121 HydrophobicContact CG-CE 4.4Å; A1075-M1121 HydrophobicContact CB-CE 4.33Å; L1078-M1121 HydrophobicContact CD1-CE 4.02Å; F1091-M1121 HydrophobicContact CE1-CG 4.37Å; F1091-M1121 HydrophobicContact CZ-CG 4.4Å; L1092-M1121 HydrophobicContact CD2-CE 4.46Å; I1095-M1121 HydrophobicContact CD1-CG 3.65Å; I1095-M1121 HydrophobicContact CD1-SD 4.26Å; I1095-M1121 HydrophobicContact CG2-SD 4.34Å; C1117-M1121 WeakPolarHBondContact O-CG 3.31Å; C1117-M1121 PolarHBondContact O-N 3.35Å; F1118-M1121 WeakPolarHBondContact O-CA 3.35Å; F1118-M1121 WeakPolarHBondContact O-CB 3.3Å; F1118-M1121 PolarHBondContact O-N 3.12Å; F1118-M1121 VanDerWaalsContact O-N 3.08Å; N1119-M1121 VanDerWaalsContact C-N 3.31Å; N1119-M1121 PolarHBondContact O-N 3.43Å; M1121-W1123 VanDerWaalsContact C-N 3.31Å; M1121-W1123 PolarHBondContact O-N 3.18Å; M1121-F1124 CarbonylContact O-C 3.55Å; M1121-F1124 WeakPolarHBondContact O-CA 3.44Å; M1121-F1124 WeakPolarHBondContact O-CB 3.34Å; M1121-F1124 PolarHBondContact O-N 3.07Å; M1121-F1124 VanDerWaalsContact O-N 3.13Å; M1121-L1125 VanDerWaalsContact O-CG 3.27Å; M1121-L1125 WeakPolarHBondContact O-CG 3.39Å; M1121-L1125 PolarHBondContact O-N 3.13Å |
| 1122 | I | 80.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 175.3 | -68.2 | -147.2 | 0 | 0 | 0 | 110.9 | F1118 N1119 F1124 L1125 G1126 F1135 P1153 P1157 V1160 F1162 | F1118-I1122 HydrophobicContact CD1-CD1 3.7Å; F1118-I1122 HydrophobicContact CD1-CG1 4.29Å; F1118-I1122 HydrophobicContact CD2-CG1 4.42Å; F1118-I1122 HydrophobicContact CE1-CD1 3.65Å; F1118-I1122 HydrophobicContact CE1-CG1 4.02Å; F1118-I1122 HydrophobicContact CE2-CD1 4.15Å; F1118-I1122 HydrophobicContact CE2-CG1 4.29Å; F1118-I1122 HydrophobicContact CG-CD1 4.4Å; F1118-I1122 HydrophobicContact CG-CG1 4.44Å; F1118-I1122 HydrophobicContact CZ-CD1 3.69Å; F1118-I1122 HydrophobicContact CZ-CG1 4.02Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.38Å; F1118-I1122 PolarHBondContact O-N 3.15Å; N1119-I1122 PolarHBondContact O-N 3.07Å; I1122-F1124 VanDerWaalsContact C-N 3.29Å; I1122-F1124 PolarHBondContact O-N 3.12Å; I1122-L1125 HydrophobicContact CD1-CD1 4.4Å; I1122-L1125 WeakPolarHBondContact O-CB 3.41Å; I1122-L1125 PolarHBondContact O-N 2.95Å; I1122-G1126 PolarHBondContact O-N 3.18Å; I1122-G1126 VanDerWaalsContact O-N 3.08Å; I1122-F1135 HydrophobicContact CD1-CD2 4.37Å; I1122-F1135 HydrophobicContact CD1-CE1 4.33Å; I1122-F1135 HydrophobicContact CD1-CE2 3.5Å; I1122-F1135 VanDerWaalsContact CD1-CE2 3.45Å; I1122-F1135 HydrophobicContact CD1-CZ 3.48Å; I1122-F1135 VanDerWaalsContact CD1-CZ 3.44Å; I1122-P1153 HydrophobicContact CB-CG 4.34Å; I1122-P1153 HydrophobicContact CD1-CG 3.98Å; I1122-P1153 HydrophobicContact CG2-CG 4.05Å; I1122-P1157 HydrophobicContact CG2-CG 4.09Å; I1122-V1160 HydrophobicContact CD1-CG1 4.28Å; I1122-V1160 HydrophobicContact CG2-CG1 4.22Å; I1122-V1160 HydrophobicContact CG2-CG2 4.38Å; I1122-F1162 HydrophobicContact CD1-CE2 4.21Å; I1122-F1162 HydrophobicContact CD1-CZ 4Å |
| 1123 | W | 78.9 | Confident | 76 | Confident | 124.2 Ų | 124.2 | 50.9 Ų | 50.9 | 47% | 0.47 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 174.8 | -94.4 | 91.4 | 0 | 0 | 0 | 112.7 | N1119 K1120 M1121 G1126 Y1127 V1155 | N1119-W1123 PolarHBondContact O-N 3.14Å; N1119-W1123 VanDerWaalsContact O-N 3.11Å; K1120-W1123 PolarHBondContact O-N 3.06Å; M1121-W1123 VanDerWaalsContact C-N 3.31Å; M1121-W1123 PolarHBondContact O-N 3.18Å; W1123-G1126 WeakPolarHBondContact O-CA 3.24Å; W1123-G1126 PolarHBondContact O-N 3.21Å; W1123-G1126 VanDerWaalsContact O-N 3.15Å; W1123-Y1127 HydrophobicContact CE3-CE2 4.25Å; W1123-Y1127 WeakPolarHBondContact O-CD2 3.45Å; W1123-Y1127 WeakPolarHBondContact O-CE2 3.33Å; W1123-V1155 HydrophobicContact CZ2-CB 4.21Å; W1123-V1155 HydrophobicContact CZ2-CG1 4.3Å |
| 1124 | F | 77.7 | Confident | 76.6 | Confident | 41.8 Ų | 41.8 | 48.5 Ų | 48.5 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 176.1 | -174.1 | -94.3 | 0 | 0 | 0 | 112.3 | L1078 L1088 F1091 K1120 M1121 I1122 G1126 Y1127 I1128 | L1078-F1124 HydrophobicContact CD1-CD1 4.12Å; L1078-F1124 HydrophobicContact CD1-CE1 4.35Å; L1078-F1124 HydrophobicContact CD2-CD1 4.37Å; L1078-F1124 HydrophobicContact CD2-CE1 4.19Å; L1088-F1124 HydrophobicContact CD1-CE1 3.79Å; L1088-F1124 HydrophobicContact CD1-CZ 3.92Å; L1088-F1124 HydrophobicContact CD2-CD1 4.37Å; L1088-F1124 HydrophobicContact CD2-CE1 3.49Å; L1088-F1124 HydrophobicContact CD2-CE2 4.04Å; L1088-F1124 HydrophobicContact CD2-CZ 3.41Å; L1088-F1124 HydrophobicContact CG-CE1 4.26Å; L1088-F1124 HydrophobicContact CG-CE2 4.34Å; L1088-F1124 HydrophobicContact CG-CZ 3.83Å; L1088-F1124 VanDerWaalsContact CG-CZ 3.5Å; F1091-F1124 HydrophobicContact CD1-CD1 4.37Å; F1091-F1124 HydrophobicContact CD1-CD2 4.19Å; F1091-F1124 HydrophobicContact CD1-CE2 4.44Å; F1091-F1124 HydrophobicContact CD1-CG 4.19Å; F1091-F1124 HydrophobicContact CD2-CD2 4.46Å; F1091-F1124 HydrophobicContact CE1-CB 3.87Å; F1091-F1124 HydrophobicContact CE1-CD1 4.2Å; F1091-F1124 AromaticContact CE1-CD2 3.96Å; F1091-F1124 HydrophobicContact CE1-CD2 4.09Å; F1091-F1124 AromaticContact CE1-CG 3.7Å; F1091-F1124 HydrophobicContact CE1-CG 3.79Å; F1091-F1124 HydrophobicContact CE2-CB 4.46Å; F1091-F1124 HydrophobicContact CE2-CD2 4.4Å; F1091-F1124 HydrophobicContact CG-CD2 4.39Å; F1091-F1124 HydrophobicContact CZ-CB 3.87Å; F1091-F1124 HydrophobicContact CZ-CD2 4.21Å; F1091-F1124 AromaticContact CZ-CG 3.87Å; F1091-F1124 HydrophobicContact CZ-CG 4.04Å; K1120-F1124 WeakPolarHBondContact O-CB 3.21Å; K1120-F1124 PolarHBondContact O-N 3.16Å; M1121-F1124 CarbonylContact O-C 3.55Å; M1121-F1124 WeakPolarHBondContact O-CA 3.44Å; M1121-F1124 WeakPolarHBondContact O-CB 3.34Å; M1121-F1124 PolarHBondContact O-N 3.07Å; M1121-F1124 VanDerWaalsContact O-N 3.13Å; I1122-F1124 VanDerWaalsContact C-N 3.29Å; I1122-F1124 PolarHBondContact O-N 3.12Å; F1124-G1126 PolarHBondContact O-N 3.18Å; F1124-Y1127 WeakPolarHBondContact O-CB 3.34Å; F1124-Y1127 PolarHBondContact O-N 3.19Å; F1124-Y1127 VanDerWaalsContact O-N 3.13Å; F1124-I1128 HydrophobicContact CD1-CD1 4.26Å; F1124-I1128 HydrophobicContact CE1-CD1 3.75Å; F1124-I1128 HydrophobicContact CZ-CD1 4.3Å |
| 1125 | L | 76.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -35.6 | 173.1 | -63.8 | 174.4 | 0 | 0 | 0 | 111.2 | L1074 L1078 M1121 I1122 Y1127 I1128 Y1133 F1135 N1159 V1160 | L1074-L1125 HydrophobicContact CD1-CD1 4.28Å; L1074-L1125 HydrophobicContact CD2-CD1 3.91Å; L1074-L1125 HydrophobicContact CD2-CD2 4.29Å; L1078-L1125 HydrophobicContact CD1-CD2 4.32Å; L1078-L1125 HydrophobicContact CD2-CD2 4.01Å; L1078-L1125 HydrophobicContact CG-CD2 4.39Å; M1121-L1125 VanDerWaalsContact O-CG 3.27Å; M1121-L1125 WeakPolarHBondContact O-CG 3.39Å; M1121-L1125 PolarHBondContact O-N 3.13Å; I1122-L1125 HydrophobicContact CD1-CD1 4.4Å; I1122-L1125 WeakPolarHBondContact O-CB 3.41Å; I1122-L1125 PolarHBondContact O-N 2.95Å; L1125-Y1127 PolarHBondContact O-N 2.87Å; L1125-Y1127 VanDerWaalsContact O-N 3.12Å; L1125-I1128 PolarHBondContact O-N 3.08Å; L1125-Y1133 HydrophobicContact CB-CD2 4.37Å; L1125-Y1133 HydrophobicContact CB-CE2 4.37Å; L1125-Y1133 HydrophobicContact CD1-CD1 4.23Å; L1125-Y1133 HydrophobicContact CD1-CD2 3.93Å; L1125-Y1133 HydrophobicContact CD1-CE1 4.38Å; L1125-Y1133 HydrophobicContact CD1-CE2 4.08Å; L1125-Y1133 HydrophobicContact CD1-CG 4Å; L1125-Y1133 HydrophobicContact CD2-CD1 4.39Å; L1125-Y1133 HydrophobicContact CD2-CD2 4.17Å; L1125-Y1133 HydrophobicContact CD2-CE1 4.16Å; L1125-Y1133 HydrophobicContact CD2-CE2 3.55Å; L1125-Y1133 HydrophobicContact CD2-CG 4.36Å; L1125-Y1133 HydrophobicContact CG-CD2 4.38Å; L1125-Y1133 HydrophobicContact CG-CE2 4.27Å; L1125-F1135 HydrophobicContact CD1-CZ 4.42Å; L1125-N1159 PolarHBondContact O-ND2 3.3Å; L1125-V1160 HydrophobicContact CB-CG2 4.25Å |
| 1126 | G | 73.7 | Confident | 77.4 | Confident | 28.4 Ų | 28.4 | 46.9 Ų | 46.9 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1122 W1123 F1124 P1157 N1159 | I1122-G1126 PolarHBondContact O-N 3.18Å; I1122-G1126 VanDerWaalsContact O-N 3.08Å; W1123-G1126 WeakPolarHBondContact O-CA 3.24Å; W1123-G1126 PolarHBondContact O-N 3.21Å; W1123-G1126 VanDerWaalsContact O-N 3.15Å; F1124-G1126 PolarHBondContact O-N 3.18Å; G1126-P1157 VanDerWaalsContact CA-CB 3.41Å; G1126-N1159 WeakPolarHBondContact CA-OD1 3.42Å |
| 1127 | Y | 75.2 | Confident | 77.8 | Confident | 171.2 Ų | 171.2 | 42.6 Ų | 42.6 | 67% | 0.671 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6.6 | 176 | -69 | -78.8 | 0 | 0 | 0 | 113.7 | W1123 F1124 L1125 P1129 | W1123-Y1127 HydrophobicContact CE3-CE2 4.25Å; W1123-Y1127 WeakPolarHBondContact O-CD2 3.45Å; W1123-Y1127 WeakPolarHBondContact O-CE2 3.33Å; F1124-Y1127 WeakPolarHBondContact O-CB 3.34Å; F1124-Y1127 PolarHBondContact O-N 3.19Å; F1124-Y1127 VanDerWaalsContact O-N 3.13Å; L1125-Y1127 PolarHBondContact O-N 2.87Å; L1125-Y1127 VanDerWaalsContact O-N 3.12Å; Y1127-P1129 VanDerWaalsContact O-CD 3.23Å; Y1127-P1129 WeakPolarHBondContact O-CD 3.31Å |
| 1128 | I | 72.6 | Confident | 78.1 | Confident | 19.2 Ų | 19.2 | 42.5 Ų | 42.5 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | trans | -106.4 | 87.9 | -179.3 | -55.2 | 166.5 | 0 | 0 | 0 | 108.7 | L1078 F1082 F1124 L1125 E1130 L1131 N1159 | L1078-I1128 HydrophobicContact CD2-CD1 4.01Å; F1082-I1128 HydrophobicContact CE2-CD1 3.75Å; F1082-I1128 HydrophobicContact CZ-CD1 3.91Å; F1082-I1128 HydrophobicContact CZ-CG1 4.36Å; F1082-I1128 HydrophobicContact CZ-CG2 4.24Å; F1124-I1128 HydrophobicContact CD1-CD1 4.26Å; F1124-I1128 HydrophobicContact CE1-CD1 3.75Å; F1124-I1128 HydrophobicContact CZ-CD1 4.3Å; L1125-I1128 PolarHBondContact O-N 3.08Å; I1128-E1130 VanDerWaalsContact C-N 3.25Å; I1128-E1130 PolarHBondContact O-N 3.06Å; I1128-E1130 VanDerWaalsContact O-N 3.12Å; I1128-L1131 HydrophobicContact CB-CD1 4.33Å; I1128-L1131 HydrophobicContact CD1-CD1 4.23Å; I1128-L1131 HydrophobicContact CG2-CB 4.31Å; I1128-L1131 HydrophobicContact CG2-CD1 3.96Å; I1128-L1131 HydrophobicContact CG2-CG 4.06Å; I1128-L1131 PolarHBondContact O-N 3.09Å; I1128-N1159 PolarHBondContact O-ND2 3.2Å; I1128-N1159 VanDerWaalsContact O-ND2 3.09Å | ||
| 1129 | P | 64.2 | Low | 78 | Confident | 106.6 Ų | 106.6 | 43.5 Ų | 43.5 | 69% | 0.692 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.2 | -173.2 | 28.4 | -36.6 | 0 | 0 | 0 | 114.1 | Y1127 L1131 N1159 | Y1127-P1129 VanDerWaalsContact O-CD 3.23Å; Y1127-P1129 WeakPolarHBondContact O-CD 3.31Å; P1129-L1131 VanDerWaalsContact C-N 3.32Å; P1129-L1131 PolarHBondContact O-N 3.17Å; P1129-N1159 WeakPolarHBondContact CA-ND2 3.43Å; P1129-N1159 PolarHBondContact O-ND2 2.95Å |
| 1130 | E | 67.5 | Low | 78 | Confident | 174.2 Ų | 174.2 | 42.2 Ų | 42.2 | 81% | 0.814 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.2 | -177.4 | -64.8 | 176.5 | 179.2 | 0 | 0 | 113.4 | I1128 | I1128-E1130 VanDerWaalsContact C-N 3.25Å; I1128-E1130 PolarHBondContact O-N 3.06Å; I1128-E1130 VanDerWaalsContact O-N 3.12Å |
| 1131 | L | 72.7 | Confident | 77.8 | Confident | 35.8 Ų | 35.8 | 38.4 Ų | 38.4 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | trans | -116.4 | 121.9 | -175.5 | -61.8 | 174 | 0 | 0 | 0 | 110.7 | L1081 F1082 I1128 P1129 Y1133 N1159 | L1081-L1131 HydrophobicContact CD1-CD1 3.51Å; L1081-L1131 VanDerWaalsContact CD1-CD1 3.41Å; L1081-L1131 HydrophobicContact CD1-CD2 4.17Å; F1082-L1131 HydrophobicContact CE2-CD1 4.37Å; F1082-L1131 HydrophobicContact CZ-CD1 4.38Å; I1128-L1131 HydrophobicContact CB-CD1 4.33Å; I1128-L1131 HydrophobicContact CD1-CD1 4.23Å; I1128-L1131 HydrophobicContact CG2-CB 4.31Å; I1128-L1131 HydrophobicContact CG2-CD1 3.96Å; I1128-L1131 HydrophobicContact CG2-CG 4.06Å; I1128-L1131 PolarHBondContact O-N 3.09Å; P1129-L1131 VanDerWaalsContact C-N 3.32Å; P1129-L1131 PolarHBondContact O-N 3.17Å; L1131-Y1133 HydrophobicContact CB-CD2 4.34Å; L1131-Y1133 HydrophobicContact CB-CE2 3.65Å; L1131-Y1133 HydrophobicContact CD1-CE2 4.29Å; L1131-Y1133 HydrophobicContact CG-CE2 4.5Å; L1131-N1159 WeakPolarHBondContact O-CB 3.33Å; L1131-N1159 PolarHBondContact O-ND2 3.18Å | ||
| 1132 | N | 79.2 | Confident | 77.6 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.3 | 171.8 | -54.9 | -57.3 | 0 | 0 | 0 | 110 | A1040 K1041 Y1042 Q1043 N1159 | A1040-N1132 WeakPolarHBondContact CB-ND2 3.15Å; K1041-N1132 WeakPolarHBondContact O-CB 3.3Å; K1041-N1132 PolarHBondContact O-ND2 3.32Å; Y1042-N1132 CarbonylContact C-O 3.57Å; Y1042-N1132 WeakPolarHBondContact CA-O 3.45Å; Y1042-N1132 HydrophobicContact CD1-CB 3.45Å; Y1042-N1132 VanDerWaalsContact CD1-CB 3.45Å; Y1042-N1132 HydrophobicContact CD2-CB 4.39Å; Y1042-N1132 HydrophobicContact CE1-CB 3.52Å; Y1042-N1132 VanDerWaalsContact CE1-CB 3.48Å; Y1042-N1132 HydrophobicContact CE2-CB 4.44Å; Y1042-N1132 HydrophobicContact CG-CB 3.97Å; Q1043-N1132 PolarHBondContact N-O 3.1Å; N1132-N1159 CarbonylContact C-O 3.56Å; N1132-N1159 VanDerWaalsContact CA-O 3.27Å; N1132-N1159 WeakPolarHBondContact CA-O 3.37Å |
| 1133 | Y | 81.5 | Confident | 77.1 | Confident | 0.8 Ų | 0.8 | 41.6 Ų | 41.6 | 0% | 0.003 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.4 | -179.2 | -73.6 | -91.2 | 0 | 0 | 0 | 110.8 | Q1043 L1074 L1125 L1131 N1159 V1160 Q1161 | Q1043-Y1133 HydrophobicContact CB-CD1 3.87Å; Q1043-Y1133 HydrophobicContact CB-CE1 3.87Å; Q1043-Y1133 HydrophobicContact CB-CG 4.47Å; Q1043-Y1133 HydrophobicContact CG-CD1 4.26Å; Q1043-Y1133 HydrophobicContact CG-CE1 4.2Å; Q1043-Y1133 WeakPolarHBondContact O-CA 3.25Å; Q1043-Y1133 VanDerWaalsContact OE1-CE1 3.24Å; Q1043-Y1133 VanDerWaalsContact OE1-CZ 3.26Å; Q1043-Y1133 PolarHBondContact OE1-OH 3.46Å; L1074-Y1133 HydrophobicContact CD2-CD1 4.03Å; L1074-Y1133 HydrophobicContact CD2-CE1 3.73Å; L1125-Y1133 HydrophobicContact CB-CD2 4.37Å; L1125-Y1133 HydrophobicContact CB-CE2 4.37Å; L1125-Y1133 HydrophobicContact CD1-CD1 4.23Å; L1125-Y1133 HydrophobicContact CD1-CD2 3.93Å; L1125-Y1133 HydrophobicContact CD1-CE1 4.38Å; L1125-Y1133 HydrophobicContact CD1-CE2 4.08Å; L1125-Y1133 HydrophobicContact CD1-CG 4Å; L1125-Y1133 HydrophobicContact CD2-CD1 4.39Å; L1125-Y1133 HydrophobicContact CD2-CD2 4.17Å; L1125-Y1133 HydrophobicContact CD2-CE1 4.16Å; L1125-Y1133 HydrophobicContact CD2-CE2 3.55Å; L1125-Y1133 HydrophobicContact CD2-CG 4.36Å; L1125-Y1133 HydrophobicContact CG-CD2 4.38Å; L1125-Y1133 HydrophobicContact CG-CE2 4.27Å; L1131-Y1133 HydrophobicContact CB-CD2 4.34Å; L1131-Y1133 HydrophobicContact CB-CE2 3.65Å; L1131-Y1133 HydrophobicContact CD1-CE2 4.29Å; L1131-Y1133 HydrophobicContact CG-CE2 4.5Å; Y1133-N1159 PolarHBondContact N-O 3.34Å; Y1133-V1160 WeakPolarHBondContact O-CA 3.3Å; Y1133-Q1161 PolarHBondContact O-N 3.13Å |
| 1134 | A | 82 | Confident | 76.5 | Confident | 1.2 Ų | 1.2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1007 Y1042 Q1043 I1044 L1045 L1136 Q1161 | L1007-A1134 HydrophobicContact CD1-CB 4.35Å; Y1042-A1134 HydrophobicContact CD1-CB 3.98Å; Y1042-A1134 HydrophobicContact CG-CB 4.26Å; Q1043-A1134 PolarHBondContact O-N 3.19Å; I1044-A1134 WeakPolarHBondContact CA-O 3.38Å; I1044-A1134 HydrophobicContact CG1-CB 4.41Å; L1045-A1134 PolarHBondContact N-O 3.06Å; A1134-L1136 HydrophobicContact CB-CD1 3.88Å; A1134-L1136 WeakPolarHBondContact O-CD1 3.27Å; A1134-Q1161 CarbonylContact C-O 3.48Å; A1134-Q1161 WeakPolarHBondContact CA-O 3.3Å |
| 1135 | F | 84.9 | Confident | 75.5 | Confident | 0.2 Ų | 0.2 | 39.9 Ų | 39.9 | 0% | 0.001 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.5 | 175.4 | -65.8 | -90.5 | 0 | 0 | 0 | 108.8 | L1045 W1070 L1074 F1118 I1122 L1125 V1160 Q1161 F1162 I1163 | L1045-F1135 HydrophobicContact CB-CD1 4.09Å; L1045-F1135 HydrophobicContact CB-CE1 4.37Å; L1045-F1135 HydrophobicContact CD1-CD1 4.06Å; L1045-F1135 HydrophobicContact CD1-CE1 3.48Å; L1045-F1135 VanDerWaalsContact CD1-CE1 3.44Å; L1045-F1135 HydrophobicContact CD1-CZ 4.13Å; L1045-F1135 HydrophobicContact CG-CE1 4.47Å; L1045-F1135 CarbonylContact O-C 3.55Å; L1045-F1135 WeakPolarHBondContact O-CA 3.35Å; W1070-F1135 AromaticContact CD2-CD1 3.96Å; W1070-F1135 HydrophobicContact CD2-CD1 4Å; W1070-F1135 HydrophobicContact CD2-CE1 4.37Å; W1070-F1135 AromaticContact CE3-CD1 3.81Å; W1070-F1135 HydrophobicContact CE3-CD1 3.81Å; W1070-F1135 HydrophobicContact CE3-CE1 4.22Å; W1070-F1135 HydrophobicContact CG-CD1 4.46Å; W1070-F1135 HydrophobicContact CH2-CB 4.02Å; W1070-F1135 AromaticContact CH2-CD1 3.93Å; W1070-F1135 HydrophobicContact CH2-CD1 4.04Å; W1070-F1135 HydrophobicContact CH2-CG 4.4Å; W1070-F1135 HydrophobicContact CZ2-CB 4.41Å; W1070-F1135 HydrophobicContact CZ2-CD1 4.28Å; W1070-F1135 HydrophobicContact CZ3-CB 4.32Å; W1070-F1135 AromaticContact CZ3-CD1 3.77Å; W1070-F1135 HydrophobicContact CZ3-CD1 3.83Å; W1070-F1135 HydrophobicContact CZ3-CE1 4.46Å; W1070-F1135 HydrophobicContact CZ3-CG 4.35Å; L1074-F1135 HydrophobicContact CD1-CE1 4.15Å; L1074-F1135 HydrophobicContact CD1-CZ 4Å; L1074-F1135 HydrophobicContact CD2-CZ 4.33Å; F1118-F1135 AromaticContact CE2-CE1 3.99Å; F1118-F1135 HydrophobicContact CE2-CE1 4.06Å; F1118-F1135 HydrophobicContact CE2-CZ 4.46Å; F1118-F1135 HydrophobicContact CZ-CD1 4.33Å; F1118-F1135 AromaticContact CZ-CE1 3.94Å; F1118-F1135 HydrophobicContact CZ-CE1 4.1Å; F1118-F1135 HydrophobicContact CZ-CZ 4.43Å; I1122-F1135 HydrophobicContact CD1-CD2 4.37Å; I1122-F1135 HydrophobicContact CD1-CE1 4.33Å; I1122-F1135 HydrophobicContact CD1-CE2 3.5Å; I1122-F1135 VanDerWaalsContact CD1-CE2 3.45Å; I1122-F1135 HydrophobicContact CD1-CZ 3.48Å; I1122-F1135 VanDerWaalsContact CD1-CZ 3.44Å; L1125-F1135 HydrophobicContact CD1-CZ 4.42Å; F1135-V1160 HydrophobicContact CD2-CG1 3.98Å; F1135-V1160 HydrophobicContact CE2-CG1 3.82Å; F1135-Q1161 PolarHBondContact N-O 3.22Å; F1135-F1162 HydrophobicContact CB-CD1 3.52Å; F1135-F1162 VanDerWaalsContact CB-CD1 3.48Å; F1135-F1162 HydrophobicContact CB-CE1 3.49Å; F1135-F1162 VanDerWaalsContact CB-CE1 3.47Å; F1135-F1162 HydrophobicContact CB-CG 4.27Å; F1135-F1162 HydrophobicContact CB-CZ 4.21Å; F1135-F1162 HydrophobicContact CD1-CE1 4.42Å; F1135-F1162 HydrophobicContact CD2-CD1 4.46Å; F1135-F1162 AromaticContact CD2-CE1 3.93Å; F1135-F1162 HydrophobicContact CD2-CE1 3.99Å; F1135-F1162 HydrophobicContact CD2-CE2 4.23Å; F1135-F1162 AromaticContact CD2-CZ 3.82Å; F1135-F1162 HydrophobicContact CD2-CZ 3.82Å; F1135-F1162 HydrophobicContact CE2-CZ 4.36Å; F1135-F1162 HydrophobicContact CG-CD1 4.24Å; F1135-F1162 AromaticContact CG-CE1 3.73Å; F1135-F1162 HydrophobicContact CG-CE1 3.73Å; F1135-F1162 AromaticContact CG-CZ 3.99Å; F1135-F1162 HydrophobicContact CG-CZ 4.03Å; F1135-F1162 CarbonylContact O-C 3.54Å; F1135-F1162 WeakPolarHBondContact O-CA 3.3Å; F1135-I1163 PolarHBondContact O-N 3.1Å |
| 1136 | L | 84.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.9 | -177.6 | -66.8 | 72.5 | 0 | 0 | 0 | 108.8 | L1000 L1003 A1004 I1044 L1045 I1046 H1047 A1134 I1163 | L1000-L1136 HydrophobicContact CD1-CB 4.17Å; L1000-L1136 HydrophobicContact CD1-CD2 4.05Å; L1000-L1136 HydrophobicContact CD1-CG 3.92Å; L1000-L1136 HydrophobicContact CD2-CB 4.16Å; L1000-L1136 HydrophobicContact CD2-CD2 3.97Å; L1000-L1136 HydrophobicContact CD2-CG 4.48Å; L1000-L1136 HydrophobicContact CG-CB 4.26Å; L1000-L1136 HydrophobicContact CG-CD2 4.05Å; L1000-L1136 HydrophobicContact CG-CG 4.42Å; L1003-L1136 HydrophobicContact CD2-CD2 4.32Å; A1004-L1136 HydrophobicContact CB-CD2 3.76Å; A1004-L1136 VanDerWaalsContact CB-CD2 3.5Å; I1044-L1136 HydrophobicContact CG2-CD1 3.57Å; I1044-L1136 VanDerWaalsContact CG2-CD1 3.44Å; I1044-L1136 HydrophobicContact CG2-CD2 4.05Å; I1044-L1136 HydrophobicContact CG2-CG 4.44Å; L1045-L1136 PolarHBondContact O-N 3.33Å; I1046-L1136 CarbonylContact C-O 3.56Å; I1046-L1136 VanDerWaalsContact CA-O 3.3Å; I1046-L1136 WeakPolarHBondContact CA-O 3.35Å; I1046-L1136 HydrophobicContact CB-CB 4.27Å; I1046-L1136 HydrophobicContact CD1-CB 4.35Å; I1046-L1136 HydrophobicContact CD1-CD2 4.17Å; I1046-L1136 HydrophobicContact CG1-CB 4.05Å; I1046-L1136 HydrophobicContact CG1-CD1 4.22Å; I1046-L1136 HydrophobicContact CG1-CD2 4.23Å; I1046-L1136 HydrophobicContact CG2-CB 4.07Å; H1047-L1136 PolarHBondContact N-O 3.19Å; A1134-L1136 HydrophobicContact CB-CD1 3.88Å; A1134-L1136 WeakPolarHBondContact O-CD1 3.27Å; L1136-I1163 CarbonylContact C-O 3.44Å; L1136-I1163 VanDerWaalsContact CA-O 3.31Å; L1136-I1163 WeakPolarHBondContact CA-O 3.33Å; L1136-I1163 HydrophobicContact CD1-CB 4.37Å; L1136-I1163 HydrophobicContact CD1-CD1 3.93Å; L1136-I1163 HydrophobicContact CD1-CG1 4.4Å; L1136-I1163 HydrophobicContact CD2-CB 4.21Å; L1136-I1163 HydrophobicContact CD2-CD1 4.16Å; L1136-I1163 HydrophobicContact CD2-CG2 4.33Å; L1136-I1163 HydrophobicContact CG-CB 4.02Å; L1136-I1163 HydrophobicContact CG-CD1 3.9Å; L1136-I1163 HydrophobicContact CG-CG1 4.41Å; L1136-I1163 HydrophobicContact CG-CG2 4.41Å |
| 1137 | I | 84 | Confident | 73.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.7 | 171.6 | -49.6 | -178.5 | 0 | 0 | 0 | 108.9 | H1047 T1049 W1070 V1140 L1143 W1151 I1163 F1164 T1165 | H1047-I1137 HydrophobicContact CB-CG2 4.45Å; H1047-I1137 CarbonylContact O-C 2.87Å; H1047-I1137 WeakPolarHBondContact O-CA 3.37Å; T1049-I1137 HydrophobicContact CG2-CG2 3.66Å; T1049-I1137 WeakPolarHBondContact OG1-CG2 3.46Å; W1070-I1137 HydrophobicContact CH2-CD1 3.57Å; W1070-I1137 VanDerWaalsContact CH2-CD1 3.49Å; W1070-I1137 HydrophobicContact CH2-CG1 3.51Å; W1070-I1137 VanDerWaalsContact CH2-CG1 3.46Å; W1070-I1137 HydrophobicContact CZ2-CD1 4.28Å; W1070-I1137 HydrophobicContact CZ2-CG1 3.85Å; W1070-I1137 HydrophobicContact CZ3-CD1 4.32Å; W1070-I1137 HydrophobicContact CZ3-CG1 4.5Å; I1137-V1140 HydrophobicContact CB-CG2 3.78Å; I1137-V1140 HydrophobicContact CG2-CG2 3.75Å; I1137-L1143 HydrophobicContact CD1-CD1 4.3Å; I1137-L1143 HydrophobicContact CG2-CD1 4.04Å; I1137-W1151 HydrophobicContact CD1-CH2 3.86Å; I1137-W1151 HydrophobicContact CD1-CZ2 4.14Å; I1137-I1163 PolarHBondContact N-O 3.06Å; I1137-F1164 HydrophobicContact CB-CD1 3.98Å; I1137-F1164 HydrophobicContact CB-CE1 4.35Å; I1137-F1164 HydrophobicContact CD1-CD1 4.21Å; I1137-F1164 HydrophobicContact CD1-CE1 3.73Å; I1137-F1164 HydrophobicContact CG1-CD1 4.13Å; I1137-F1164 HydrophobicContact CG1-CE1 3.98Å; I1137-F1164 WeakPolarHBondContact O-CA 3.39Å; I1137-T1165 PolarHBondContact O-N 3Å; I1137-T1165 VanDerWaalsContact O-N 3.1Å; I1137-T1165 PolarHBondContact O-OG1 3.41Å |
| 1138 | D | 83.7 | Confident | 72.4 | Confident | 1.4 Ų | 1.4 | 40.4 Ų | 40.4 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 141.2 | 172 | -155.9 | 33.9 | 0 | 0 | 0 | 111 | T997 L1000 H1047 F1048 T1049 V1140 T1165 | T997-D1138 VanDerWaalsContact CB-OD2 3.27Å; T997-D1138 WeakPolarHBondContact CB-OD2 3.35Å; T997-D1138 VanDerWaalsContact CG2-OD2 3.28Å; T997-D1138 WeakPolarHBondContact CG2-OD2 3.32Å; T997-D1138 PolarHBondContact OG1-OD2 3.01Å; L1000-D1138 HydrophobicContact CD1-CB 4.1Å; L1000-D1138 HydrophobicContact CD2-CB 3.53Å; H1047-D1138 PolarHBondContact O-N 3.29Å; F1048-D1138 HydrophobicContact CB-CB 4.47Å; F1048-D1138 HydrophobicContact CD1-CB 3.6Å; F1048-D1138 HydrophobicContact CE1-CB 4.16Å; F1048-D1138 HydrophobicContact CG-CB 4.38Å; T1049-D1138 WeakPolarHBondContact CB-O 3.43Å; T1049-D1138 WeakPolarHBondContact CG2-O 3.42Å; T1049-D1138 PolarHBondContact N-O 3.06Å; T1049-D1138 PolarHBondContact OG1-O 2.95Å; D1138-V1140 PolarHBondContact O-N 3.41Å; D1138-T1165 WeakPolarHBondContact CA-OG1 3.36Å; D1138-T1165 WeakPolarHBondContact OD1-CB 3.43Å; D1138-T1165 WeakPolarHBondContact OD1-CG2 3.45Å; D1138-T1165 PolarHBondContact OD1-OG1 3.1Å |
| 1139 | D | 80 | Confident | 71.7 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | 44.4 | 62.6 | -178 | -65 | -33.1 | 0 | 0 | 0 | 114.1 | K996 T1049 S1050 D1141 H1142 T1165 | K996-D1139 WeakPolarHBondContact CE-OD1 3.38Å; K996-D1139 IonicContact NZ-OD1 3.53Å; K996-D1139 PolarHBondContact NZ-OD1 3.1Å; T1049-D1139 WeakPolarHBondContact CB-O 3.49Å; T1049-D1139 WeakPolarHBondContact CG2-O 3.3Å; T1049-D1139 WeakPolarHBondContact OG1-CB 3.11Å; T1049-D1139 PolarHBondContact OG1-O 3.08Å; S1050-D1139 VanDerWaalsContact OG-CB 3.31Å; S1050-D1139 WeakPolarHBondContact OG-CB 3.24Å; S1050-D1139 PolarHBondContact OG-OD2 3.12Å; D1139-D1141 PolarHBondContact O-N 3.28Å; D1139-D1141 VanDerWaalsContact O-N 3.09Å; D1139-H1142 PolarHBondContact O-N 3.31Å; D1139-H1142 VanDerWaalsContact O-N 3.13Å; D1139-T1165 WeakPolarHBondContact CA-O 3.2Å; D1139-T1165 PolarHBondContact N-O 2.98Å; D1139-T1165 PolarHBondContact N-OG1 3.15Å | ||
| 1140 | V | 79.6 | Confident | 71.6 | Confident | 3.4 Ų | 3.4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -58.1 | -24.3 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | I1137 D1138 H1142 L1143 L1148 F1164 T1165 I1172 | I1137-V1140 HydrophobicContact CB-CG2 3.78Å; I1137-V1140 HydrophobicContact CG2-CG2 3.75Å; D1138-V1140 PolarHBondContact O-N 3.41Å; V1140-H1142 PolarHBondContact O-N 3.05Å; V1140-H1142 VanDerWaalsContact O-N 3.16Å; V1140-L1143 HydrophobicContact CG1-CD1 4.15Å; V1140-L1143 VanDerWaalsContact O-CB 3.29Å; V1140-L1143 WeakPolarHBondContact O-CB 3.27Å; V1140-L1143 PolarHBondContact O-N 3.23Å; V1140-L1143 VanDerWaalsContact O-N 3.12Å; V1140-L1148 HydrophobicContact CG1-CD1 3.81Å; V1140-L1148 HydrophobicContact CG1-CD2 4.3Å; V1140-F1164 HydrophobicContact CG2-CB 3.71Å; V1140-F1164 HydrophobicContact CG2-CD1 3.67Å; V1140-F1164 HydrophobicContact CG2-CE1 4.46Å; V1140-F1164 HydrophobicContact CG2-CG 3.91Å; V1140-T1165 PolarHBondContact N-O 3.29Å; V1140-I1172 HydrophobicContact CB-CD1 4.25Å; V1140-I1172 HydrophobicContact CG1-CD1 4.02Å; V1140-I1172 HydrophobicContact CG1-CG2 4.17Å |
| 1141 | D | 76.9 | Confident | 71.8 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 20% | 0.198 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61.1 | -21.9 | 177.1 | -58.1 | -38.5 | 0 | 0 | 0 | 113.9 | D1139 L1146 C1166 E1167 S1170 I1172 | D1139-D1141 PolarHBondContact O-N 3.28Å; D1139-D1141 VanDerWaalsContact O-N 3.09Å; D1141-L1146 WeakPolarHBondContact O-CD1 3.49Å; D1141-L1146 WeakPolarHBondContact O-CD2 3.12Å; D1141-C1166 VanDerWaalsContact OD1-CB 3.32Å; D1141-C1166 WeakPolarHBondContact OD1-CB 3.13Å; D1141-C1166 VanDerWaalsContact OD2-CA 3.27Å; D1141-C1166 WeakPolarHBondContact OD2-CA 3.34Å; D1141-C1166 WeakPolarHBondContact OD2-CB 3.28Å; D1141-E1167 PolarHBondContact OD2-N 3.25Å; D1141-S1170 WeakPolarHBondContact OD1-CB 3.36Å; D1141-S1170 PolarHBondContact OD1-OG 3.1Å; D1141-I1172 HydrophobicContact CB-CD1 4.39Å; D1141-I1172 WeakPolarHBondContact OD1-CD1 3.32Å |
| 1142 | H | 72.7 | Confident | 71.9 | Confident | 59.6 Ų | 59.6 | 35.3 Ų | 35.3 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -96.9 | 4.6 | 179.9 | -63 | -42.6 | 0 | 0 | 0 | 114 | T1049 S1050 K1061 D1139 V1140 H1441 | T1049-H1142 HydrophobicContact CG2-CB 3.99Å; S1050-H1142 PolarHBondContact OG-CD2 3.25Å; K1061-H1142 WeakPolarHBondContact CB-O 3.32Å; K1061-H1142 HydrophobicContact CD-CB 4.35Å; K1061-H1142 WeakPolarHBondContact CG-O 3.35Å; D1139-H1142 PolarHBondContact O-N 3.31Å; D1139-H1142 VanDerWaalsContact O-N 3.13Å; V1140-H1142 PolarHBondContact O-N 3.05Å; V1140-H1142 VanDerWaalsContact O-N 3.16Å; H1142-H1441 AromaticContact CE1-CD2 3.56Å; H1142-H1441 PolarHBondContact CE1-CD2 3.02Å; H1142-H1441 AromaticContact CE1-NE2 3.77Å; H1142-H1441 AromaticContact NE2-CD2 3.6Å; H1142-H1441 PolarHBondContact NE2-CD2 3.4Å |
| 1143 | L | 71.7 | Confident | 71.5 | Confident | 7.4 Ų | 7.4 | 33.9 Ų | 33.9 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | trans | -78.8 | 134.6 | 176.4 | -104.9 | 150.6 | 0 | 0 | 0 | 111.2 | T1049 K1061 L1063 V1066 I1137 V1140 P1145 L1146 I1147 L1148 | T1049-L1143 HydrophobicContact CG2-CB 4.13Å; T1049-L1143 HydrophobicContact CG2-CD1 4.09Å; T1049-L1143 HydrophobicContact CG2-CD2 3.79Å; T1049-L1143 HydrophobicContact CG2-CG 3.73Å; K1061-L1143 CarbonylContact O-C 3.47Å; K1061-L1143 WeakPolarHBondContact O-CA 3.36Å; K1061-L1143 WeakPolarHBondContact O-CD2 3.02Å; L1063-L1143 HydrophobicContact CB-CD2 3.66Å; L1063-L1143 VanDerWaalsContact CB-CD2 3.47Å; L1063-L1143 HydrophobicContact CB-CG 4.29Å; L1063-L1143 HydrophobicContact CD1-CD1 4.49Å; L1063-L1143 HydrophobicContact CD1-CD2 3.72Å; L1063-L1143 HydrophobicContact CG-CD2 4.17Å; V1066-L1143 HydrophobicContact CG2-CD1 4.26Å; V1066-L1143 HydrophobicContact CG2-CD2 4.41Å; I1137-L1143 HydrophobicContact CD1-CD1 4.3Å; I1137-L1143 HydrophobicContact CG2-CD1 4.04Å; V1140-L1143 HydrophobicContact CG1-CD1 4.15Å; V1140-L1143 VanDerWaalsContact O-CB 3.29Å; V1140-L1143 WeakPolarHBondContact O-CB 3.27Å; V1140-L1143 PolarHBondContact O-N 3.23Å; V1140-L1143 VanDerWaalsContact O-N 3.12Å; L1143-P1145 CarbonylContact O-C 3.57Å; L1143-P1145 VanDerWaalsContact O-C 3.25Å; L1143-P1145 WeakPolarHBondContact O-CD 3.42Å; L1143-P1145 VanDerWaalsContact O-N 3.1Å; L1143-L1146 WeakPolarHBondContact O-CA 3.39Å; L1143-L1146 PolarHBondContact O-N 3.19Å; L1143-I1147 HydrophobicContact CB-CD1 4.13Å; L1143-I1147 HydrophobicContact CD2-CD1 3.71Å; L1143-I1147 HydrophobicContact CG-CD1 3.9Å; L1143-L1148 HydrophobicContact CB-CD1 4.32Å | ||
| 1144 | D | 65.6 | Low | 70.9 | Confident | 67.8 Ų | 67.8 | 38.6 Ų | 38.6 | 36% | 0.363 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -82.9 | 126.1 | -179.4 | -121.7 | -12.1 | 0 | 0 | 0 | 111.6 | K1061 L1063 L1146 I1147 N1527 | K1061-D1144 PolarHBondContact O-N 3.26Å; L1063-D1144 WeakPolarHBondContact CB-O 3.47Å; L1063-D1144 PolarHBondContact N-O 3.23Å; L1063-D1144 VanDerWaalsContact N-O 3.14Å; D1144-L1146 VanDerWaalsContact C-N 3.27Å; D1144-L1146 PolarHBondContact O-N 2.98Å; D1144-L1146 VanDerWaalsContact O-N 3.1Å; D1144-I1147 HydrophobicContact CB-CD1 4.07Å; D1144-I1147 HydrophobicContact CB-CG1 4.44Å; D1144-I1147 WeakPolarHBondContact O-CD1 3.45Å; D1144-I1147 PolarHBondContact O-N 2.87Å; D1144-N1527 PolarHBondContact OD1-ND2 3.48Å |
| 1145 | P | 55.9 | Low | 70.4 | Confident | 63.4 Ų | 63.4 | 42.5 Ų | 42.5 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | S | Bend | cis | -81.9 | 118 | -25 | 30.3 | -32.5 | 0 | 0 | 0 | 113.5 | L1111 L1143 I1147 | L1111-P1145 HydrophobicContact CD1-CG 4.19Å; L1111-P1145 HydrophobicContact CD2-CG 4.02Å; L1143-P1145 CarbonylContact O-C 3.57Å; L1143-P1145 VanDerWaalsContact O-C 3.25Å; L1143-P1145 WeakPolarHBondContact O-CD 3.42Å; L1143-P1145 VanDerWaalsContact O-N 3.1Å; P1145-I1147 HydrophobicContact CB-CD1 3.86Å; P1145-I1147 HydrophobicContact CB-CG1 4.04Å; P1145-I1147 HydrophobicContact CG-CD1 3.95Å; P1145-I1147 HydrophobicContact CG-CG1 4.39Å; P1145-I1147 CarbonylContact O-C 3.52Å; P1145-I1147 WeakPolarHBondContact O-CG1 3.27Å; P1145-I1147 PolarHBondContact O-N 3.17Å; P1145-I1147 VanDerWaalsContact O-N 3.15Å |
| 1146 | L | 51.4 | Low | 70 | Confident | 134.8 Ų | 134.8 | 42.8 Ų | 42.8 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -53.8 | 4.2 | 178.1 | -98.9 | 142.9 | 0 | 0 | 0 | 113.7 | D1141 L1143 D1144 L1148 I1172 | D1141-L1146 WeakPolarHBondContact O-CD1 3.49Å; D1141-L1146 WeakPolarHBondContact O-CD2 3.12Å; L1143-L1146 WeakPolarHBondContact O-CA 3.39Å; L1143-L1146 PolarHBondContact O-N 3.19Å; D1144-L1146 VanDerWaalsContact C-N 3.27Å; D1144-L1146 PolarHBondContact O-N 2.98Å; D1144-L1146 VanDerWaalsContact O-N 3.1Å; L1146-L1148 PolarHBondContact O-N 3.18Å; L1146-L1148 VanDerWaalsContact O-N 3.13Å; L1146-I1172 HydrophobicContact CD2-CD1 3.89Å; L1146-I1172 HydrophobicContact CD2-CG1 4.02Å |
| 1147 | I | 53.6 | Low | 69.6 | Low | 55.4 Ų | 55.4 | 43.7 Ų | 43.7 | 28% | 0.284 | 25% | 0.245 | S | C | . | . | trans | -99.6 | 54 | -174.5 | -55.3 | 172.2 | 0 | 0 | 0 | 109.4 | L1063 L1111 M1115 L1143 D1144 P1145 D1149 D1150 W1151 | L1063-I1147 HydrophobicContact CB-CD1 3.32Å; L1063-I1147 HydrophobicContact CB-CG2 3.82Å; L1063-I1147 HydrophobicContact CD2-CB 4.38Å; L1063-I1147 HydrophobicContact CD2-CD1 3.66Å; L1063-I1147 HydrophobicContact CD2-CG1 4.22Å; L1063-I1147 HydrophobicContact CD2-CG2 3.68Å; L1063-I1147 VanDerWaalsContact CD2-CG2 3.44Å; L1063-I1147 HydrophobicContact CG-CD1 4.03Å; L1063-I1147 HydrophobicContact CG-CG2 4.25Å; L1111-I1147 HydrophobicContact CD1-CD1 3.68Å; L1111-I1147 HydrophobicContact CD1-CG1 4.33Å; L1111-I1147 HydrophobicContact CD1-CG2 4.03Å; L1111-I1147 HydrophobicContact CD2-CB 4.3Å; L1111-I1147 HydrophobicContact CD2-CD1 3.84Å; L1111-I1147 HydrophobicContact CD2-CG1 4.05Å; L1111-I1147 HydrophobicContact CD2-CG2 3.52Å; L1111-I1147 HydrophobicContact CG-CG2 4.3Å; M1115-I1147 HydrophobicContact CE-CG2 3.66Å; L1143-I1147 HydrophobicContact CB-CD1 4.13Å; L1143-I1147 HydrophobicContact CD2-CD1 3.71Å; L1143-I1147 HydrophobicContact CG-CD1 3.9Å; D1144-I1147 HydrophobicContact CB-CD1 4.07Å; D1144-I1147 HydrophobicContact CB-CG1 4.44Å; D1144-I1147 WeakPolarHBondContact O-CD1 3.45Å; D1144-I1147 PolarHBondContact O-N 2.87Å; P1145-I1147 HydrophobicContact CB-CD1 3.86Å; P1145-I1147 HydrophobicContact CB-CG1 4.04Å; P1145-I1147 HydrophobicContact CG-CD1 3.95Å; P1145-I1147 HydrophobicContact CG-CG1 4.39Å; P1145-I1147 CarbonylContact O-C 3.52Å; P1145-I1147 WeakPolarHBondContact O-CG1 3.27Å; P1145-I1147 PolarHBondContact O-N 3.17Å; P1145-I1147 VanDerWaalsContact O-N 3.15Å; I1147-D1149 VanDerWaalsContact C-N 3.35Å; I1147-D1149 HydrophobicContact CG2-CB 4.01Å; I1147-D1149 VanDerWaalsContact CG2-OD2 3.24Å; I1147-D1149 WeakPolarHBondContact CG2-OD2 3.32Å; I1147-D1149 PolarHBondContact O-N 3.22Å; I1147-D1149 VanDerWaalsContact O-N 3.16Å; I1147-D1150 HydrophobicContact CG2-CB 4.19Å; I1147-W1151 HydrophobicContact CG2-CG 4.39Å; I1147-W1151 VanDerWaalsContact O-CD1 3.25Å | ||
| 1148 | L | 55.7 | Low | 69.3 | Low | 18.2 Ų | 18.2 | 49.6 Ų | 49.6 | 10% | 0.095 | 27% | 0.271 | C | S | . | . | trans | -83.4 | -4.9 | 166.2 | -83.3 | 158.3 | 0 | 0 | 0 | 113.8 | V1140 L1143 L1146 D1150 W1151 L1152 I1172 K1175 | V1140-L1148 HydrophobicContact CG1-CD1 3.81Å; V1140-L1148 HydrophobicContact CG1-CD2 4.3Å; L1143-L1148 HydrophobicContact CB-CD1 4.32Å; L1146-L1148 PolarHBondContact O-N 3.18Å; L1146-L1148 VanDerWaalsContact O-N 3.13Å; L1148-D1150 VanDerWaalsContact C-N 3.31Å; L1148-D1150 PolarHBondContact O-N 3.11Å; L1148-W1151 VanDerWaalsContact CD2-NE1 3.28Å; L1148-L1152 HydrophobicContact CD2-CD1 3.75Å; L1148-I1172 HydrophobicContact CD1-CB 3.91Å; L1148-I1172 HydrophobicContact CD1-CD1 3.87Å; L1148-I1172 HydrophobicContact CD1-CG1 3.71Å; L1148-I1172 VanDerWaalsContact CD1-CG1 3.41Å; L1148-I1172 HydrophobicContact CD1-CG2 3.61Å; L1148-I1172 VanDerWaalsContact CD1-CG2 3.4Å; L1148-K1175 HydrophobicContact CB-CD 4.21Å | ||
| 1149 | D | 57.7 | Low | 69 | Low | 91.2 Ų | 91.2 | 50.1 Ų | 50.1 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 81.6 | -174.2 | -61.7 | -25.4 | 0 | 0 | 0 | 111.1 | I1147 W1151 K1175 Q1179 | I1147-D1149 VanDerWaalsContact C-N 3.35Å; I1147-D1149 HydrophobicContact CG2-CB 4.01Å; I1147-D1149 VanDerWaalsContact CG2-OD2 3.24Å; I1147-D1149 WeakPolarHBondContact CG2-OD2 3.32Å; I1147-D1149 PolarHBondContact O-N 3.22Å; I1147-D1149 VanDerWaalsContact O-N 3.16Å; D1149-W1151 VanDerWaalsContact C-N 3.32Å; D1149-W1151 PolarHBondContact O-N 2.84Å; D1149-K1175 IonicContact OD1-NZ 3.24Å; D1149-K1175 PolarHBondContact OD1-NZ 3.14Å; D1149-K1175 IonicContact OD2-NZ 3.16Å; D1149-K1175 PolarHBondContact OD2-NZ 2.76Å; D1149-Q1179 PolarHBondContact O-NE2 3.31Å |
| 1150 | D | 62.7 | Low | 69.1 | Low | 121 Ų | 121 | 49 Ų | 49 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 2.7 | -179.5 | -68.7 | -20.9 | 0 | 0 | 0 | 118 | M1115 N1119 I1147 L1148 | M1115-D1150 HydrophobicContact CE-CB 3.82Å; M1115-D1150 VanDerWaalsContact CE-O 3.27Å; M1115-D1150 WeakPolarHBondContact CE-O 3.44Å; M1115-D1150 HydrophobicContact SD-CB 4.08Å; N1119-D1150 PolarHBondContact ND2-O 3.37Å; I1147-D1150 HydrophobicContact CG2-CB 4.19Å; L1148-D1150 VanDerWaalsContact C-N 3.31Å; L1148-D1150 PolarHBondContact O-N 3.11Å |
| 1151 | W | 71.6 | Confident | 69.3 | Low | 7.2 Ų | 7.2 | 49.3 Ų | 49.3 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | trans | -83.8 | -30.1 | -176.4 | 83.2 | -87.2 | 0 | 0 | 0 | 114.7 | L1063 L1067 W1070 M1115 F1118 N1119 I1137 I1147 L1148 D1149 F1162 F1164 | L1063-W1151 HydrophobicContact CD1-CD2 4.31Å; L1063-W1151 HydrophobicContact CD1-CE3 4.3Å; L1063-W1151 HydrophobicContact CD1-CZ3 4.45Å; L1063-W1151 HydrophobicContact CD2-CB 3.93Å; L1063-W1151 HydrophobicContact CD2-CD2 4.13Å; L1063-W1151 HydrophobicContact CD2-CE3 4.28Å; L1063-W1151 HydrophobicContact CD2-CG 4.03Å; L1067-W1151 HydrophobicContact CD2-CE3 4.26Å; L1067-W1151 HydrophobicContact CD2-CZ3 4.39Å; W1070-W1151 HydrophobicContact CH2-CH2 4.4Å; W1070-W1151 HydrophobicContact CZ3-CH2 4.22Å; W1070-W1151 AromaticContact CZ3-CZ3 3.92Å; W1070-W1151 HydrophobicContact CZ3-CZ3 4.12Å; M1115-W1151 HydrophobicContact CB-CB 3.97Å; M1115-W1151 HydrophobicContact CE-CB 3.66Å; M1115-W1151 HydrophobicContact CE-CG 4.31Å; M1115-W1151 HydrophobicContact CG-CB 4.09Å; M1115-W1151 HydrophobicContact SD-CB 4.35Å; F1118-W1151 AromaticContact CD1-CE3 3.82Å; F1118-W1151 HydrophobicContact CD1-CE3 4.12Å; F1118-W1151 HydrophobicContact CD1-CZ3 4.32Å; F1118-W1151 AromaticContact CE1-CE3 3.56Å; F1118-W1151 HydrophobicContact CE1-CE3 4.12Å; F1118-W1151 AromaticContact CE1-CZ3 3.75Å; F1118-W1151 HydrophobicContact CE1-CZ3 3.84Å; F1118-W1151 VanDerWaalsContact CE1-CZ3 3.48Å; F1118-W1151 HydrophobicContact CZ-CZ3 4.3Å; N1119-W1151 PolarHBondContact ND2-O 3.29Å; N1119-W1151 PolarHBondContact OD1-O 3.21Å; I1137-W1151 HydrophobicContact CD1-CH2 3.86Å; I1137-W1151 HydrophobicContact CD1-CZ2 4.14Å; I1147-W1151 HydrophobicContact CG2-CG 4.39Å; I1147-W1151 VanDerWaalsContact O-CD1 3.25Å; L1148-W1151 VanDerWaalsContact CD2-NE1 3.28Å; D1149-W1151 VanDerWaalsContact C-N 3.32Å; D1149-W1151 PolarHBondContact O-N 2.84Å; W1151-F1162 HydrophobicContact CH2-CD1 4.48Å; W1151-F1162 HydrophobicContact CH2-CE1 4.25Å; W1151-F1162 AromaticContact CZ3-CE1 3.96Å; W1151-F1162 HydrophobicContact CZ3-CE1 4.28Å; W1151-F1164 HydrophobicContact CH2-CE1 4.43Å; W1151-F1164 HydrophobicContact CH2-CZ 4.36Å; W1151-F1164 HydrophobicContact CZ2-CE1 4.34Å; W1151-F1164 HydrophobicContact CZ2-CZ 4.11Å | ||
| 1152 | L | 74.5 | Confident | 69.7 | Low | 10.4 Ų | 10.4 | 47.5 Ų | 47.5 | 5% | 0.054 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -85.9 | 139.6 | 174.9 | -92.4 | 137.8 | 0 | 0 | 0 | 110.6 | I985 L1148 S1154 F1162 F1164 L1176 Y1180 | I985-L1152 HydrophobicContact CD1-CD1 4.47Å; L1148-L1152 HydrophobicContact CD2-CD1 3.75Å; L1152-S1154 PolarHBondContact O-N 3.05Å; L1152-F1162 HydrophobicContact CD1-CD1 3.99Å; L1152-F1162 HydrophobicContact CD1-CD2 4.3Å; L1152-F1162 HydrophobicContact CD1-CE1 3.87Å; L1152-F1162 HydrophobicContact CD1-CE2 4.19Å; L1152-F1162 HydrophobicContact CD1-CG 4.21Å; L1152-F1162 HydrophobicContact CD1-CZ 3.98Å; L1152-F1162 HydrophobicContact CD2-CD1 4.01Å; L1152-F1162 HydrophobicContact CD2-CD2 4.15Å; L1152-F1162 HydrophobicContact CD2-CE1 3.93Å; L1152-F1162 HydrophobicContact CD2-CE2 4.09Å; L1152-F1162 HydrophobicContact CD2-CG 4.13Å; L1152-F1162 HydrophobicContact CD2-CZ 3.98Å; L1152-F1164 HydrophobicContact CD1-CE2 4.05Å; L1152-F1164 HydrophobicContact CD1-CZ 3.92Å; L1152-F1164 HydrophobicContact CD2-CE2 4.43Å; L1152-F1164 HydrophobicContact CD2-CZ 4.25Å; L1152-L1176 HydrophobicContact CD1-CD2 4.22Å; L1152-Y1180 VanDerWaalsContact CB-OH 3.27Å; L1152-Y1180 WeakPolarHBondContact CB-OH 3.15Å; L1152-Y1180 HydrophobicContact CD1-CE2 4.47Å; L1152-Y1180 HydrophobicContact CD2-CE2 3.92Å; L1152-Y1180 WeakPolarHBondContact CD2-OH 3.41Å |
| 1153 | P | 70.4 | Confident | 70.4 | Confident | 8.6 Ų | 8.6 | 44.7 Ų | 44.7 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | trans | -71.7 | 134.6 | 178.1 | 22.1 | -22.3 | 0 | 0 | 0 | 111 | N1119 I1122 V1155 L1156 Y1180 | N1119-P1153 WeakPolarHBondContact OD1-CB 3.39Å; N1119-P1153 VanDerWaalsContact OD1-CD 3.26Å; N1119-P1153 WeakPolarHBondContact OD1-CD 3.38Å; N1119-P1153 VanDerWaalsContact OD1-CG 3.28Å; N1119-P1153 WeakPolarHBondContact OD1-CG 3.34Å; I1122-P1153 HydrophobicContact CB-CG 4.34Å; I1122-P1153 HydrophobicContact CD1-CG 3.98Å; I1122-P1153 HydrophobicContact CG2-CG 4.05Å; P1153-V1155 PolarHBondContact O-N 3.17Å; P1153-V1155 VanDerWaalsContact O-N 3.11Å; P1153-L1156 HydrophobicContact CG-CD2 4Å; P1153-Y1180 PolarHBondContact O-OH 3.2Å; P1153-Y1180 VanDerWaalsContact O-OH 3.09Å | ||
| 1154 | S | 70.5 | Confident | 71.1 | Confident | 100.8 Ų | 100.8 | 44.5 Ų | 44.5 | 71% | 0.705 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -58.2 | -22.7 | -178.9 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | L1152 Y1180 | L1152-S1154 PolarHBondContact O-N 3.05Å; S1154-Y1180 WeakPolarHBondContact O-CE1 3.28Å |
| 1155 | V | 70.9 | Confident | 72.1 | Confident | 81.8 Ų | 81.8 | 41.2 Ų | 41.2 | 50% | 0.496 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -126.3 | 117.1 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 109 | W1123 P1153 | W1123-V1155 HydrophobicContact CZ2-CB 4.21Å; W1123-V1155 HydrophobicContact CZ2-CG1 4.3Å; P1153-V1155 PolarHBondContact O-N 3.17Å; P1153-V1155 VanDerWaalsContact O-N 3.11Å |
| 1156 | L | 76.4 | Confident | 73.5 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | trans | -89.7 | 131.4 | 177.2 | -70.3 | 170 | 0 | 0 | 0 | 111.3 | S982 G983 I985 P1153 V1160 F1162 Y1180 | S982-L1156 CarbonylContact C-O 3.5Å; S982-L1156 WeakPolarHBondContact CA-O 3.39Å; G983-L1156 PolarHBondContact N-O 2.98Å; I985-L1156 HydrophobicContact CD1-CD1 3.87Å; I985-L1156 HydrophobicContact CG1-CD1 3.49Å; I985-L1156 VanDerWaalsContact CG1-CD1 3.42Å; P1153-L1156 HydrophobicContact CG-CD2 4Å; L1156-V1160 HydrophobicContact CD2-CG1 4.49Å; L1156-F1162 HydrophobicContact CD1-CD2 4.15Å; L1156-F1162 HydrophobicContact CD2-CD2 3.71Å; L1156-F1162 HydrophobicContact CD2-CE2 3.51Å; L1156-F1162 VanDerWaalsContact CD2-CE2 3.44Å; L1156-Y1180 HydrophobicContact CD1-CE1 4.31Å; L1156-Y1180 HydrophobicContact CG-CE1 4.47Å | ||
| 1157 | P | 77.2 | Confident | 75 | Confident | 19.4 Ų | 19.4 | 35.3 Ų | 35.3 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | trans | -65.8 | 151.6 | 172.3 | -11.7 | 21 | 0 | 0 | 0 | 112.9 | G983 I1122 G1126 N1159 V1160 | G983-P1157 VanDerWaalsContact CA-O 3.23Å; G983-P1157 WeakPolarHBondContact CA-O 3.4Å; G983-P1157 PolarHBondContact N-O 3.28Å; I1122-P1157 HydrophobicContact CG2-CG 4.09Å; G1126-P1157 VanDerWaalsContact CA-CB 3.41Å; P1157-N1159 VanDerWaalsContact C-N 3.28Å; P1157-N1159 WeakPolarHBondContact CB-OD1 3.36Å; P1157-N1159 PolarHBondContact O-N 3.15Å; P1157-N1159 VanDerWaalsContact O-N 3.12Å; P1157-V1160 HydrophobicContact CB-CG2 4.27Å; P1157-V1160 HydrophobicContact CG-CB 4.02Å; P1157-V1160 HydrophobicContact CG-CG2 4.25Å; P1157-V1160 PolarHBondContact O-N 3.05Å; P1157-V1160 VanDerWaalsContact O-N 3.08Å | ||
| 1158 | K | 75.8 | Confident | 76.2 | Confident | 124.2 Ų | 124.2 | 34.9 Ų | 34.9 | 54% | 0.54 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.9 | -175 | -80.4 | 179.7 | -170.3 | -172.4 | 0 | 114.8 | K981 V1160 Q1161 | K981-K1158 HydrophobicContact CB-CD 3.88Å; K981-K1158 VanDerWaalsContact CB-CE 3.49Å; K981-K1158 HydrophobicContact CB-CG 4.05Å; K981-K1158 HydrophobicContact CD-CD 4.47Å; K981-K1158 WeakPolarHBondContact O-CB 3.31Å; K981-K1158 WeakPolarHBondContact O-CE 3.34Å; K981-K1158 WeakPolarHBondContact O-CG 3.36Å; K1158-V1160 VanDerWaalsContact C-N 3.34Å; K1158-V1160 PolarHBondContact O-N 3.01Å; K1158-Q1161 PolarHBondContact O-NE2 3.11Å |
| 1159 | N | 77.5 | Confident | 77.1 | Confident | 11.2 Ų | 11.2 | 41.3 Ų | 41.3 | 6% | 0.06 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.9 | -175.5 | 51.9 | -22.5 | 0 | 0 | 0 | 112.9 | L1125 G1126 I1128 P1129 L1131 N1132 Y1133 P1157 | L1125-N1159 PolarHBondContact O-ND2 3.3Å; G1126-N1159 WeakPolarHBondContact CA-OD1 3.42Å; I1128-N1159 PolarHBondContact O-ND2 3.2Å; I1128-N1159 VanDerWaalsContact O-ND2 3.09Å; P1129-N1159 WeakPolarHBondContact CA-ND2 3.43Å; P1129-N1159 PolarHBondContact O-ND2 2.95Å; L1131-N1159 WeakPolarHBondContact O-CB 3.33Å; L1131-N1159 PolarHBondContact O-ND2 3.18Å; N1132-N1159 CarbonylContact C-O 3.56Å; N1132-N1159 VanDerWaalsContact CA-O 3.27Å; N1132-N1159 WeakPolarHBondContact CA-O 3.37Å; Y1133-N1159 PolarHBondContact N-O 3.34Å; P1157-N1159 VanDerWaalsContact C-N 3.28Å; P1157-N1159 WeakPolarHBondContact CB-OD1 3.36Å; P1157-N1159 PolarHBondContact O-N 3.15Å; P1157-N1159 VanDerWaalsContact O-N 3.12Å |
| 1160 | V | 82.9 | Confident | 78 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.6 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | G983 I1122 L1125 Y1133 F1135 L1156 P1157 K1158 F1162 | G983-V1160 VanDerWaalsContact CA-O 3.31Å; G983-V1160 WeakPolarHBondContact CA-O 3.35Å; I1122-V1160 HydrophobicContact CD1-CG1 4.28Å; I1122-V1160 HydrophobicContact CG2-CG1 4.22Å; I1122-V1160 HydrophobicContact CG2-CG2 4.38Å; L1125-V1160 HydrophobicContact CB-CG2 4.25Å; Y1133-V1160 WeakPolarHBondContact O-CA 3.3Å; F1135-V1160 HydrophobicContact CD2-CG1 3.98Å; F1135-V1160 HydrophobicContact CE2-CG1 3.82Å; L1156-V1160 HydrophobicContact CD2-CG1 4.49Å; P1157-V1160 HydrophobicContact CB-CG2 4.27Å; P1157-V1160 HydrophobicContact CG-CB 4.02Å; P1157-V1160 HydrophobicContact CG-CG2 4.25Å; P1157-V1160 PolarHBondContact O-N 3.05Å; P1157-V1160 VanDerWaalsContact O-N 3.08Å; K1158-V1160 VanDerWaalsContact C-N 3.34Å; K1158-V1160 PolarHBondContact O-N 3.01Å; V1160-F1162 HydrophobicContact CG1-CD2 4.25Å; V1160-F1162 HydrophobicContact CG1-CE2 3.7Å; V1160-F1162 HydrophobicContact CG1-CZ 4.45Å |
| 1161 | Q | 83.6 | Confident | 78.6 | Confident | 8.2 Ų | 8.2 | 40 Ų | 40 | 4% | 0.038 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141 | -179.9 | -62.9 | -169.3 | 3 | 0 | 0 | 110.7 | F939 M942 G984 Y1042 Y1133 A1134 F1135 K1158 | F939-Q1161 HydrophobicContact CE2-CB 4.45Å; F939-Q1161 HydrophobicContact CZ-CG 4.41Å; M942-Q1161 HydrophobicContact CE-CB 4.28Å; M942-Q1161 HydrophobicContact CE-CG 3.84Å; M942-Q1161 VanDerWaalsContact CE-OE1 3.3Å; G984-Q1161 VanDerWaalsContact O-CA 3.31Å; G984-Q1161 WeakPolarHBondContact O-CA 3.32Å; G984-Q1161 PolarHBondContact O-OE1 2.77Å; Y1042-Q1161 HydrophobicContact CE1-CB 4.43Å; Y1042-Q1161 HydrophobicContact CE1-CG 4.23Å; Y1042-Q1161 PolarHBondContact OH-NE2 3.23Å; Y1042-Q1161 PolarHBondContact OH-OE1 3.38Å; Y1133-Q1161 PolarHBondContact O-N 3.13Å; A1134-Q1161 CarbonylContact C-O 3.48Å; A1134-Q1161 WeakPolarHBondContact CA-O 3.3Å; F1135-Q1161 PolarHBondContact N-O 3.22Å; K1158-Q1161 PolarHBondContact O-NE2 3.11Å |
| 1162 | F | 86.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.7 | 175.9 | -76.5 | -90.3 | 0 | 0 | 0 | 109.9 | G984 I985 L986 W1070 F1118 I1122 F1135 W1151 L1152 L1156 V1160 F1164 | G984-F1162 PolarHBondContact O-N 3.35Å; I985-F1162 CarbonylContact C-O 3.56Å; I985-F1162 VanDerWaalsContact CA-O 3.29Å; I985-F1162 WeakPolarHBondContact CA-O 3.22Å; I985-F1162 HydrophobicContact CG1-CB 4.36Å; I985-F1162 HydrophobicContact CG2-CB 4.45Å; L986-F1162 PolarHBondContact N-O 3.15Å; W1070-F1162 HydrophobicContact CH2-CE1 4.42Å; W1070-F1162 HydrophobicContact CZ3-CE1 4.21Å; F1118-F1162 HydrophobicContact CE1-CE1 4.41Å; F1118-F1162 HydrophobicContact CE1-CZ 4.2Å; F1118-F1162 HydrophobicContact CZ-CE1 4.33Å; F1118-F1162 HydrophobicContact CZ-CZ 4.17Å; I1122-F1162 HydrophobicContact CD1-CE2 4.21Å; I1122-F1162 HydrophobicContact CD1-CZ 4Å; F1135-F1162 HydrophobicContact CB-CD1 3.52Å; F1135-F1162 VanDerWaalsContact CB-CD1 3.48Å; F1135-F1162 HydrophobicContact CB-CE1 3.49Å; F1135-F1162 VanDerWaalsContact CB-CE1 3.47Å; F1135-F1162 HydrophobicContact CB-CG 4.27Å; F1135-F1162 HydrophobicContact CB-CZ 4.21Å; F1135-F1162 HydrophobicContact CD1-CE1 4.42Å; F1135-F1162 HydrophobicContact CD2-CD1 4.46Å; F1135-F1162 AromaticContact CD2-CE1 3.93Å; F1135-F1162 HydrophobicContact CD2-CE1 3.99Å; F1135-F1162 HydrophobicContact CD2-CE2 4.23Å; F1135-F1162 AromaticContact CD2-CZ 3.82Å; F1135-F1162 HydrophobicContact CD2-CZ 3.82Å; F1135-F1162 HydrophobicContact CE2-CZ 4.36Å; F1135-F1162 HydrophobicContact CG-CD1 4.24Å; F1135-F1162 AromaticContact CG-CE1 3.73Å; F1135-F1162 HydrophobicContact CG-CE1 3.73Å; F1135-F1162 AromaticContact CG-CZ 3.99Å; F1135-F1162 HydrophobicContact CG-CZ 4.03Å; F1135-F1162 CarbonylContact O-C 3.54Å; F1135-F1162 WeakPolarHBondContact O-CA 3.3Å; W1151-F1162 HydrophobicContact CH2-CD1 4.48Å; W1151-F1162 HydrophobicContact CH2-CE1 4.25Å; W1151-F1162 AromaticContact CZ3-CE1 3.96Å; W1151-F1162 HydrophobicContact CZ3-CE1 4.28Å; L1152-F1162 HydrophobicContact CD1-CD1 3.99Å; L1152-F1162 HydrophobicContact CD1-CD2 4.3Å; L1152-F1162 HydrophobicContact CD1-CE1 3.87Å; L1152-F1162 HydrophobicContact CD1-CE2 4.19Å; L1152-F1162 HydrophobicContact CD1-CG 4.21Å; L1152-F1162 HydrophobicContact CD1-CZ 3.98Å; L1152-F1162 HydrophobicContact CD2-CD1 4.01Å; L1152-F1162 HydrophobicContact CD2-CD2 4.15Å; L1152-F1162 HydrophobicContact CD2-CE1 3.93Å; L1152-F1162 HydrophobicContact CD2-CE2 4.09Å; L1152-F1162 HydrophobicContact CD2-CG 4.13Å; L1152-F1162 HydrophobicContact CD2-CZ 3.98Å; L1156-F1162 HydrophobicContact CD1-CD2 4.15Å; L1156-F1162 HydrophobicContact CD2-CD2 3.71Å; L1156-F1162 HydrophobicContact CD2-CE2 3.51Å; L1156-F1162 VanDerWaalsContact CD2-CE2 3.44Å; V1160-F1162 HydrophobicContact CG1-CD2 4.25Å; V1160-F1162 HydrophobicContact CG1-CE2 3.7Å; V1160-F1162 HydrophobicContact CG1-CZ 4.45Å; F1162-F1164 HydrophobicContact CB-CE1 4.21Å; F1162-F1164 HydrophobicContact CB-CE2 4.01Å; F1162-F1164 HydrophobicContact CB-CZ 3.71Å; F1162-F1164 AromaticContact CD1-CE1 3.94Å; F1162-F1164 HydrophobicContact CD1-CE1 3.95Å; F1162-F1164 AromaticContact CD1-CZ 3.71Å; F1162-F1164 HydrophobicContact CD1-CZ 3.71Å; F1162-F1164 HydrophobicContact CG-CE1 4.44Å; F1162-F1164 AromaticContact CG-CZ 3.98Å; F1162-F1164 HydrophobicContact CG-CZ 4Å |
| 1163 | I | 86.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.5 | 175.7 | -57.8 | 157.8 | 0 | 0 | 0 | 107.6 | F939 L986 I988 L1000 L1003 L1007 F1135 L1136 I1137 | F939-I1163 HydrophobicContact CD2-CD1 4.21Å; F939-I1163 HydrophobicContact CE2-CD1 3.98Å; F939-I1163 HydrophobicContact CE2-CG1 4.39Å; L986-I1163 HydrophobicContact CB-CG1 4.19Å; L986-I1163 HydrophobicContact CD2-CG1 4.48Å; L986-I1163 HydrophobicContact CD2-CG2 4.49Å; L986-I1163 CarbonylContact O-C 3.56Å; L986-I1163 VanDerWaalsContact O-CA 3.27Å; L986-I1163 WeakPolarHBondContact O-CA 3.36Å; I988-I1163 HydrophobicContact CD1-CG2 3.67Å; I988-I1163 HydrophobicContact CG1-CG2 4.37Å; L1000-I1163 HydrophobicContact CD1-CB 4.39Å; L1000-I1163 HydrophobicContact CD1-CG2 3.57Å; L1003-I1163 HydrophobicContact CD1-CD1 4.09Å; L1003-I1163 HydrophobicContact CD2-CD1 3.54Å; L1003-I1163 HydrophobicContact CD2-CG1 4.22Å; L1003-I1163 HydrophobicContact CD2-CG2 4.11Å; L1003-I1163 HydrophobicContact CG-CD1 4.34Å; L1007-I1163 HydrophobicContact CD1-CD1 4.1Å; F1135-I1163 PolarHBondContact O-N 3.1Å; L1136-I1163 CarbonylContact C-O 3.44Å; L1136-I1163 VanDerWaalsContact CA-O 3.31Å; L1136-I1163 WeakPolarHBondContact CA-O 3.33Å; L1136-I1163 HydrophobicContact CD1-CB 4.37Å; L1136-I1163 HydrophobicContact CD1-CD1 3.93Å; L1136-I1163 HydrophobicContact CD1-CG1 4.4Å; L1136-I1163 HydrophobicContact CD2-CB 4.21Å; L1136-I1163 HydrophobicContact CD2-CD1 4.16Å; L1136-I1163 HydrophobicContact CD2-CG2 4.33Å; L1136-I1163 HydrophobicContact CG-CB 4.02Å; L1136-I1163 HydrophobicContact CG-CD1 3.9Å; L1136-I1163 HydrophobicContact CG-CG1 4.41Å; L1136-I1163 HydrophobicContact CG-CG2 4.41Å; I1137-I1163 PolarHBondContact N-O 3.06Å |
| 1164 | F | 87.9 | Confident | 79 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.3 | -177.2 | -61.3 | -42.8 | 0 | 0 | 0 | 109.6 | I985 L986 V987 I988 I1137 V1140 W1151 L1152 F1162 L1176 | I985-F1164 HydrophobicContact CG2-CD2 3.65Å; I985-F1164 HydrophobicContact CG2-CE2 3.66Å; L986-F1164 PolarHBondContact O-N 3.18Å; V987-F1164 CarbonylContact C-O 3.48Å; V987-F1164 WeakPolarHBondContact CA-O 3.36Å; V987-F1164 HydrophobicContact CG2-CD2 4.43Å; I988-F1164 PolarHBondContact N-O 3.11Å; I1137-F1164 HydrophobicContact CB-CD1 3.98Å; I1137-F1164 HydrophobicContact CB-CE1 4.35Å; I1137-F1164 HydrophobicContact CD1-CD1 4.21Å; I1137-F1164 HydrophobicContact CD1-CE1 3.73Å; I1137-F1164 HydrophobicContact CG1-CD1 4.13Å; I1137-F1164 HydrophobicContact CG1-CE1 3.98Å; I1137-F1164 WeakPolarHBondContact O-CA 3.39Å; V1140-F1164 HydrophobicContact CG2-CB 3.71Å; V1140-F1164 HydrophobicContact CG2-CD1 3.67Å; V1140-F1164 HydrophobicContact CG2-CE1 4.46Å; V1140-F1164 HydrophobicContact CG2-CG 3.91Å; W1151-F1164 HydrophobicContact CH2-CE1 4.43Å; W1151-F1164 HydrophobicContact CH2-CZ 4.36Å; W1151-F1164 HydrophobicContact CZ2-CE1 4.34Å; W1151-F1164 HydrophobicContact CZ2-CZ 4.11Å; L1152-F1164 HydrophobicContact CD1-CE2 4.05Å; L1152-F1164 HydrophobicContact CD1-CZ 3.92Å; L1152-F1164 HydrophobicContact CD2-CE2 4.43Å; L1152-F1164 HydrophobicContact CD2-CZ 4.25Å; F1162-F1164 HydrophobicContact CB-CE1 4.21Å; F1162-F1164 HydrophobicContact CB-CE2 4.01Å; F1162-F1164 HydrophobicContact CB-CZ 3.71Å; F1162-F1164 AromaticContact CD1-CE1 3.94Å; F1162-F1164 HydrophobicContact CD1-CE1 3.95Å; F1162-F1164 AromaticContact CD1-CZ 3.71Å; F1162-F1164 HydrophobicContact CD1-CZ 3.71Å; F1162-F1164 HydrophobicContact CG-CE1 4.44Å; F1162-F1164 AromaticContact CG-CZ 3.98Å; F1162-F1164 HydrophobicContact CG-CZ 4Å; F1164-L1176 HydrophobicContact CD2-CD1 3.8Å; F1164-L1176 HydrophobicContact CE2-CD1 4.2Å; F1164-L1176 HydrophobicContact CE2-CD2 4.44Å |
| 1165 | T | 86 | Confident | 79.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.5 | 162 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | I988 K996 L1000 I1137 D1138 D1139 V1140 | I988-T1165 HydrophobicContact CB-CG2 3.89Å; I988-T1165 HydrophobicContact CD1-CG2 4.19Å; I988-T1165 HydrophobicContact CG2-CG2 4.14Å; I988-T1165 VanDerWaalsContact O-CA 3.27Å; I988-T1165 WeakPolarHBondContact O-CA 3.44Å; K996-T1165 HydrophobicContact CB-CG2 4.12Å; L1000-T1165 HydrophobicContact CB-CG2 3.87Å; L1000-T1165 HydrophobicContact CD1-CG2 3.69Å; L1000-T1165 HydrophobicContact CD2-CG2 4.19Å; L1000-T1165 HydrophobicContact CG-CG2 4.33Å; I1137-T1165 PolarHBondContact O-N 3Å; I1137-T1165 VanDerWaalsContact O-N 3.1Å; I1137-T1165 PolarHBondContact O-OG1 3.41Å; D1138-T1165 WeakPolarHBondContact CA-OG1 3.36Å; D1138-T1165 WeakPolarHBondContact OD1-CB 3.43Å; D1138-T1165 WeakPolarHBondContact OD1-CG2 3.45Å; D1138-T1165 PolarHBondContact OD1-OG1 3.1Å; D1139-T1165 WeakPolarHBondContact CA-O 3.2Å; D1139-T1165 PolarHBondContact N-O 2.98Å; D1139-T1165 PolarHBondContact N-OG1 3.15Å; V1140-T1165 PolarHBondContact N-O 3.29Å |
| 1166 | C | 85 | Confident | 79.3 | Confident | 0.8 Ų | 0.8 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 165.9 | 177.1 | 46 | 0 | 0 | 0 | 0 | 111.1 | V987 I988 T989 G990 K996 D1141 I1173 | V987-C1166 WeakPolarHBondContact CG1-SG 3.36Å; I988-C1166 PolarHBondContact O-N 3.17Å; I988-C1166 VanDerWaalsContact O-N 3.12Å; T989-C1166 WeakPolarHBondContact CA-O 3.38Å; T989-C1166 PolarHBondContact OG1-O 3.01Å; G990-C1166 PolarHBondContact N-O 3.15Å; K996-C1166 VanDerWaalsContact CD-O 3.25Å; K996-C1166 WeakPolarHBondContact CD-O 3.35Å; D1141-C1166 VanDerWaalsContact OD1-CB 3.32Å; D1141-C1166 WeakPolarHBondContact OD1-CB 3.13Å; D1141-C1166 VanDerWaalsContact OD2-CA 3.27Å; D1141-C1166 WeakPolarHBondContact OD2-CA 3.34Å; D1141-C1166 WeakPolarHBondContact OD2-CB 3.28Å; C1166-I1173 HydrophobicContact CB-CD1 4.41Å; C1166-I1173 HydrophobicContact CB-CG1 4.28Å; C1166-I1173 VanDerWaalsContact SG-CG1 3.52Å; C1166-I1173 WeakPolarHBondContact SG-CG1 3.32Å |
| 1167 | E | 83 | Confident | 79.1 | Confident | 73.4 Ų | 73.4 | 45.2 Ų | 45.2 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 148.3 | 170.7 | -77.6 | -169.7 | 166.6 | 0 | 0 | 112.1 | G990 P992 D1141 N1169 S1170 I1173 | G990-E1167 WeakPolarHBondContact O-CA 3.16Å; P992-E1167 WeakPolarHBondContact CD-OE1 3.46Å; P992-E1167 WeakPolarHBondContact CG-OE1 3.24Å; D1141-E1167 PolarHBondContact OD2-N 3.25Å; E1167-N1169 PolarHBondContact O-N 3.17Å; E1167-N1169 VanDerWaalsContact O-N 3.11Å; E1167-S1170 VanDerWaalsContact O-CB 3.29Å; E1167-S1170 WeakPolarHBondContact O-CB 3.4Å; E1167-S1170 PolarHBondContact O-N 3.2Å; E1167-S1170 VanDerWaalsContact O-N 3.11Å; E1167-I1173 VanDerWaalsContact O-CD1 3.25Å; E1167-I1173 WeakPolarHBondContact O-CD1 3.37Å |
| 1168 | S | 78.3 | Confident | 78.9 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.2 | -177.7 | -36.2 | 0 | 0 | 0 | 0 | 114.6 | T989 G990 S991 I1173 | T989-S1168 WeakPolarHBondContact OG1-CA 3.29Å; T989-S1168 PolarHBondContact OG1-N 3.33Å; T989-S1168 VanDerWaalsContact OG1-N 3.14Å; T989-S1168 PolarHBondContact OG1-OG 3.05Å; T989-S1168 VanDerWaalsContact OG1-OG 3.07Å; G990-S1168 VanDerWaalsContact C-OG 3.23Å; G990-S1168 WeakPolarHBondContact CA-OG 3.34Å; G990-S1168 PolarHBondContact N-OG 2.99Å; G990-S1168 PolarHBondContact O-N 3.24Å; S991-S1168 PolarHBondContact N-OG 3.28Å; S1168-I1173 WeakPolarHBondContact O-CD1 3.29Å |
| 1169 | N | 75 | Confident | 78.7 | Confident | 152.2 Ų | 152.2 | 47.9 Ų | 47.9 | 81% | 0.814 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 9.3 | -178.1 | -66.1 | -9.9 | 0 | 0 | 0 | 113.2 | E1167 K1171 | E1167-N1169 PolarHBondContact O-N 3.17Å; E1167-N1169 VanDerWaalsContact O-N 3.11Å; N1169-K1171 PolarHBondContact O-N 3.28Å |
| 1170 | S | 77.1 | Confident | 78.5 | Confident | 17.4 Ų | 17.4 | 47.9 Ų | 47.9 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | trans | -65.7 | 137 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 112.9 | D1141 E1167 I1172 I1173 | D1141-S1170 WeakPolarHBondContact OD1-CB 3.36Å; D1141-S1170 PolarHBondContact OD1-OG 3.1Å; E1167-S1170 VanDerWaalsContact O-CB 3.29Å; E1167-S1170 WeakPolarHBondContact O-CB 3.4Å; E1167-S1170 PolarHBondContact O-N 3.2Å; E1167-S1170 VanDerWaalsContact O-N 3.11Å; S1170-I1172 PolarHBondContact O-N 2.94Å; S1170-I1172 VanDerWaalsContact O-N 3.16Å; S1170-I1172 VanDerWaalsContact OG-CB 3.26Å; S1170-I1172 WeakPolarHBondContact OG-CB 3.3Å; S1170-I1172 WeakPolarHBondContact OG-CG1 3.23Å; S1170-I1172 PolarHBondContact OG-N 3.16Å; S1170-I1172 VanDerWaalsContact OG-N 3.12Å; S1170-I1173 PolarHBondContact O-N 3.13Å | ||
| 1171 | K | 76 | Confident | 77.8 | Confident | 167.4 Ų | 167.4 | 53.8 Ų | 53.8 | 73% | 0.728 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.8 | -21.9 | 171.3 | -64.8 | 177.2 | -177.6 | 172 | 0 | 112.2 | N1169 I1173 Q1174 K1175 | N1169-K1171 PolarHBondContact O-N 3.28Å; K1171-I1173 VanDerWaalsContact C-N 3.33Å; K1171-I1173 PolarHBondContact O-N 3.11Å; K1171-Q1174 PolarHBondContact O-N 3.21Å; K1171-K1175 WeakPolarHBondContact O-CG 3.32Å; K1171-K1175 PolarHBondContact O-N 3.11Å; K1171-K1175 VanDerWaalsContact O-N 3.12Å |
| 1172 | I | 75.7 | Confident | 76.8 | Confident | 15.4 Ų | 15.4 | 59.9 Ų | 59.9 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 179.3 | -66.1 | 169.9 | 0 | 0 | 0 | 111.2 | V1140 D1141 L1146 L1148 S1170 Q1174 K1175 L1176 | V1140-I1172 HydrophobicContact CB-CD1 4.25Å; V1140-I1172 HydrophobicContact CG1-CD1 4.02Å; V1140-I1172 HydrophobicContact CG1-CG2 4.17Å; D1141-I1172 HydrophobicContact CB-CD1 4.39Å; D1141-I1172 WeakPolarHBondContact OD1-CD1 3.32Å; L1146-I1172 HydrophobicContact CD2-CD1 3.89Å; L1146-I1172 HydrophobicContact CD2-CG1 4.02Å; L1148-I1172 HydrophobicContact CD1-CB 3.91Å; L1148-I1172 HydrophobicContact CD1-CD1 3.87Å; L1148-I1172 HydrophobicContact CD1-CG1 3.71Å; L1148-I1172 VanDerWaalsContact CD1-CG1 3.41Å; L1148-I1172 HydrophobicContact CD1-CG2 3.61Å; L1148-I1172 VanDerWaalsContact CD1-CG2 3.4Å; S1170-I1172 PolarHBondContact O-N 2.94Å; S1170-I1172 VanDerWaalsContact O-N 3.16Å; S1170-I1172 VanDerWaalsContact OG-CB 3.26Å; S1170-I1172 WeakPolarHBondContact OG-CB 3.3Å; S1170-I1172 WeakPolarHBondContact OG-CG1 3.23Å; S1170-I1172 PolarHBondContact OG-N 3.16Å; S1170-I1172 VanDerWaalsContact OG-N 3.12Å; I1172-Q1174 VanDerWaalsContact C-N 3.3Å; I1172-Q1174 PolarHBondContact O-N 2.82Å; I1172-K1175 PolarHBondContact O-N 3.05Å; I1172-L1176 HydrophobicContact CG2-CD1 3.73Å; I1172-L1176 HydrophobicContact CG2-CG 4.11Å; I1172-L1176 WeakPolarHBondContact O-CB 3.41Å; I1172-L1176 WeakPolarHBondContact O-CG 3.33Å; I1172-L1176 PolarHBondContact O-N 3.21Å |
| 1173 | I | 73.7 | Confident | 75.8 | Confident | 24.8 Ų | 24.8 | 67.9 Ų | 67.9 | 13% | 0.127 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 177.8 | -59.5 | 166.4 | 0 | 0 | 0 | 109.8 | V987 T989 C1166 E1167 S1168 S1170 K1171 K1175 L1176 T1177 V1187 | V987-I1173 HydrophobicContact CG1-CG1 4.28Å; T989-I1173 HydrophobicContact CG2-CD1 3.54Å; T989-I1173 HydrophobicContact CG2-CG1 4.07Å; C1166-I1173 HydrophobicContact CB-CD1 4.41Å; C1166-I1173 HydrophobicContact CB-CG1 4.28Å; C1166-I1173 VanDerWaalsContact SG-CG1 3.52Å; C1166-I1173 WeakPolarHBondContact SG-CG1 3.32Å; E1167-I1173 VanDerWaalsContact O-CD1 3.25Å; E1167-I1173 WeakPolarHBondContact O-CD1 3.37Å; S1168-I1173 WeakPolarHBondContact O-CD1 3.29Å; S1170-I1173 PolarHBondContact O-N 3.13Å; K1171-I1173 VanDerWaalsContact C-N 3.33Å; K1171-I1173 PolarHBondContact O-N 3.11Å; I1173-K1175 VanDerWaalsContact C-N 3.32Å; I1173-K1175 PolarHBondContact O-N 3.24Å; I1173-L1176 PolarHBondContact O-N 2.83Å; I1173-T1177 HydrophobicContact CG2-CG2 4.42Å; I1173-T1177 VanDerWaalsContact O-CB 3.31Å; I1173-T1177 WeakPolarHBondContact O-CB 3.41Å; I1173-T1177 WeakPolarHBondContact O-CG2 3.28Å; I1173-T1177 PolarHBondContact O-N 3.25Å; I1173-T1177 PolarHBondContact O-OG1 3.21Å; I1173-V1187 HydrophobicContact CG2-CG2 4.24Å |
| 1174 | Q | 73.6 | Confident | 75 | Confident | 137.8 Ų | 137.8 | 68.8 Ų | 68.8 | 64% | 0.644 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 178.3 | -65.4 | -179.4 | -6.2 | 0 | 0 | 111.4 | K1171 I1172 T1177 C1178 | K1171-Q1174 PolarHBondContact O-N 3.21Å; I1172-Q1174 VanDerWaalsContact C-N 3.3Å; I1172-Q1174 PolarHBondContact O-N 2.82Å; Q1174-T1177 WeakPolarHBondContact CA-OG1 3.29Å; Q1174-T1177 PolarHBondContact O-N 3.13Å; Q1174-T1177 PolarHBondContact O-OG1 2.91Å; Q1174-C1178 WeakPolarHBondContact O-CB 3.33Å; Q1174-C1178 PolarHBondContact O-N 3.15Å; Q1174-C1178 PolarHBondContact O-SG 3.17Å |
| 1175 | K | 74.1 | Confident | 74.5 | Confident | 88.6 Ų | 88.6 | 69.1 Ų | 69.1 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -49.7 | 177.6 | -75.4 | -172 | 172.1 | -164.4 | 0 | 112.6 | L1148 D1149 K1171 I1172 I1173 T1177 C1178 Q1179 | L1148-K1175 HydrophobicContact CB-CD 4.21Å; D1149-K1175 IonicContact OD1-NZ 3.24Å; D1149-K1175 PolarHBondContact OD1-NZ 3.14Å; D1149-K1175 IonicContact OD2-NZ 3.16Å; D1149-K1175 PolarHBondContact OD2-NZ 2.76Å; K1171-K1175 WeakPolarHBondContact O-CG 3.32Å; K1171-K1175 PolarHBondContact O-N 3.11Å; K1171-K1175 VanDerWaalsContact O-N 3.12Å; I1172-K1175 PolarHBondContact O-N 3.05Å; I1173-K1175 VanDerWaalsContact C-N 3.32Å; I1173-K1175 PolarHBondContact O-N 3.24Å; K1175-T1177 VanDerWaalsContact C-N 3.34Å; K1175-T1177 PolarHBondContact O-N 3.1Å; K1175-C1178 PolarHBondContact O-N 3.25Å; K1175-C1178 VanDerWaalsContact O-N 3.14Å; K1175-Q1179 WeakPolarHBondContact O-CB 3.47Å; K1175-Q1179 PolarHBondContact O-N 3.08Å |
| 1176 | L | 73.9 | Confident | 74.2 | Confident | 7.6 Ų | 7.6 | 70.6 Ų | 70.6 | 4% | 0.04 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | -179.8 | -72 | 174.2 | 0 | 0 | 0 | 111.9 | I985 V987 L1152 F1164 I1172 I1173 C1178 Q1179 Y1180 | I985-L1176 HydrophobicContact CD1-CD2 4.41Å; V987-L1176 HydrophobicContact CG2-CD1 3.91Å; L1152-L1176 HydrophobicContact CD1-CD2 4.22Å; F1164-L1176 HydrophobicContact CD2-CD1 3.8Å; F1164-L1176 HydrophobicContact CE2-CD1 4.2Å; F1164-L1176 HydrophobicContact CE2-CD2 4.44Å; I1172-L1176 HydrophobicContact CG2-CD1 3.73Å; I1172-L1176 HydrophobicContact CG2-CG 4.11Å; I1172-L1176 WeakPolarHBondContact O-CB 3.41Å; I1172-L1176 WeakPolarHBondContact O-CG 3.33Å; I1172-L1176 PolarHBondContact O-N 3.21Å; I1173-L1176 PolarHBondContact O-N 2.83Å; L1176-C1178 VanDerWaalsContact C-N 3.3Å; L1176-C1178 PolarHBondContact O-N 3.22Å; L1176-Q1179 PolarHBondContact O-N 3.28Å; L1176-Y1180 HydrophobicContact CD2-CD2 4.38Å; L1176-Y1180 HydrophobicContact CD2-CE2 4.25Å; L1176-Y1180 PolarHBondContact O-N 3.03Å; L1176-Y1180 VanDerWaalsContact O-N 3.09Å |
| 1177 | T | 73.7 | Confident | 74.1 | Confident | 51.8 Ų | 51.8 | 74 Ų | 74 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70 | -25.4 | 176.7 | -10.3 | 0 | 0 | 0 | 0 | 112.8 | I1173 Q1174 K1175 Y1180 V1187 | I1173-T1177 HydrophobicContact CG2-CG2 4.42Å; I1173-T1177 VanDerWaalsContact O-CB 3.31Å; I1173-T1177 WeakPolarHBondContact O-CB 3.41Å; I1173-T1177 WeakPolarHBondContact O-CG2 3.28Å; I1173-T1177 PolarHBondContact O-N 3.25Å; I1173-T1177 PolarHBondContact O-OG1 3.21Å; Q1174-T1177 WeakPolarHBondContact CA-OG1 3.29Å; Q1174-T1177 PolarHBondContact O-N 3.13Å; Q1174-T1177 PolarHBondContact O-OG1 2.91Å; K1175-T1177 VanDerWaalsContact C-N 3.34Å; K1175-T1177 PolarHBondContact O-N 3.1Å; T1177-Y1180 VanDerWaalsContact O-O 3.09Å; T1177-V1187 HydrophobicContact CG2-CG2 4.3Å |
| 1178 | C | 72.7 | Confident | 74.1 | Confident | 114.6 Ų | 114.6 | 71.8 Ų | 71.8 | 77% | 0.774 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -81.7 | -32.2 | 173.3 | -72.5 | 0 | 0 | 0 | 0 | 113 | Q1174 K1175 L1176 | Q1174-C1178 WeakPolarHBondContact O-CB 3.33Å; Q1174-C1178 PolarHBondContact O-N 3.15Å; Q1174-C1178 PolarHBondContact O-SG 3.17Å; K1175-C1178 PolarHBondContact O-N 3.25Å; K1175-C1178 VanDerWaalsContact O-N 3.14Å; L1176-C1178 VanDerWaalsContact C-N 3.3Å; L1176-C1178 PolarHBondContact O-N 3.22Å |
| 1179 | Q | 71.4 | Confident | 74.4 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -81.5 | -31.2 | -178.2 | -135.3 | -178.9 | 6.6 | 0 | 0 | 113 | D1149 K1175 L1176 | D1149-Q1179 PolarHBondContact O-NE2 3.31Å; K1175-Q1179 WeakPolarHBondContact O-CB 3.47Å; K1175-Q1179 PolarHBondContact O-N 3.08Å; L1176-Q1179 PolarHBondContact O-N 3.28Å |
| 1180 | Y | 73 | Confident | 74.8 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -122.5 | 137.1 | -176.2 | -65.6 | -82.9 | 0 | 0 | 0 | 110.9 | I985 L1152 P1153 S1154 L1156 L1176 T1177 T1184 | I985-Y1180 HydrophobicContact CD1-CD1 4.17Å; I985-Y1180 HydrophobicContact CD1-CD2 3.55Å; I985-Y1180 VanDerWaalsContact CD1-CD2 3.49Å; I985-Y1180 HydrophobicContact CD1-CE1 4.16Å; I985-Y1180 HydrophobicContact CD1-CE2 3.55Å; I985-Y1180 VanDerWaalsContact CD1-CE2 3.49Å; I985-Y1180 HydrophobicContact CD1-CG 3.88Å; L1152-Y1180 VanDerWaalsContact CB-OH 3.27Å; L1152-Y1180 WeakPolarHBondContact CB-OH 3.15Å; L1152-Y1180 HydrophobicContact CD1-CE2 4.47Å; L1152-Y1180 HydrophobicContact CD2-CE2 3.92Å; L1152-Y1180 WeakPolarHBondContact CD2-OH 3.41Å; P1153-Y1180 PolarHBondContact O-OH 3.2Å; P1153-Y1180 VanDerWaalsContact O-OH 3.09Å; S1154-Y1180 WeakPolarHBondContact O-CE1 3.28Å; L1156-Y1180 HydrophobicContact CD1-CE1 4.31Å; L1156-Y1180 HydrophobicContact CG-CE1 4.47Å; L1176-Y1180 HydrophobicContact CD2-CD2 4.38Å; L1176-Y1180 HydrophobicContact CD2-CE2 4.25Å; L1176-Y1180 PolarHBondContact O-N 3.03Å; L1176-Y1180 VanDerWaalsContact O-N 3.09Å; T1177-Y1180 VanDerWaalsContact O-O 3.09Å; Y1180-T1184 WeakPolarHBondContact CB-OG1 3.39Å |
| 1181 | D | 68.1 | Low | 74.9 | Confident | 122.8 Ų | 122.8 | 70.9 Ų | 70.9 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | trans | -54.7 | 151.3 | 175.7 | -79.6 | -12.3 | 0 | 0 | 0 | 112 | K1183 T1184 C1185 | D1181-K1183 PolarHBondContact O-N 3.08Å; D1181-T1184 PolarHBondContact N-OG1 3.08Å; D1181-T1184 VanDerWaalsContact N-OG1 3.1Å; D1181-T1184 WeakPolarHBondContact O-CA 3.43Å; D1181-T1184 PolarHBondContact O-N 3.13Å; D1181-T1184 PolarHBondContact O-OG1 3.33Å; D1181-C1185 PolarHBondContact O-N 2.98Å; D1181-C1185 VanDerWaalsContact O-N 3.14Å | ||
| 1182 | N | 63.3 | Low | 74.9 | Confident | 136.8 Ų | 136.8 | 69.4 Ų | 69.4 | 73% | 0.732 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -10.1 | 173.4 | -69.4 | -7.1 | 0 | 0 | 0 | 114.6 | ||
| 1183 | K | 64.5 | Low | 74.9 | Confident | 169 Ų | 169 | 69.7 Ų | 69.7 | 74% | 0.735 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -25.5 | 173.3 | -68 | -178.6 | -179.4 | 173.9 | 0 | 113 | D1181 | D1181-K1183 PolarHBondContact O-N 3.08Š|
| 1184 | T | 69.5 | Low | 75.1 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -33.1 | 179.8 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | S982 G984 I985 Y1180 D1181 | S982-T1184 VanDerWaalsContact OG-CG2 3.24Å; S982-T1184 WeakPolarHBondContact OG-CG2 3.37Å; G984-T1184 CarbonylContact C-O 3.55Å; G984-T1184 WeakPolarHBondContact CA-O 3.38Å; I985-T1184 PolarHBondContact N-O 3.08Å; Y1180-T1184 WeakPolarHBondContact CB-OG1 3.39Å; D1181-T1184 PolarHBondContact N-OG1 3.08Å; D1181-T1184 VanDerWaalsContact N-OG1 3.1Å; D1181-T1184 WeakPolarHBondContact O-CA 3.43Å; D1181-T1184 PolarHBondContact O-N 3.13Å; D1181-T1184 PolarHBondContact O-OG1 3.33Å |
| 1185 | C | 76.3 | Confident | 75 | Confident | 8.8 Ų | 8.8 | 68.3 Ų | 68.3 | 6% | 0.059 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.9 | 176.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | I985 D1181 | I985-C1185 HydrophobicContact CB-CB 4.5Å; I985-C1185 CarbonylContact O-C 3.35Å; I985-C1185 WeakPolarHBondContact O-CA 3.31Å; D1181-C1185 PolarHBondContact O-N 2.98Å; D1181-C1185 VanDerWaalsContact O-N 3.14Å |
| 1186 | S | 80.4 | Confident | 75 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 22% | 0.217 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.5 | 175.5 | 19.5 | 0 | 0 | 0 | 0 | 110.3 | I985 L986 V987 | I985-S1186 PolarHBondContact O-N 3.27Å; I985-S1186 PolarHBondContact O-OG 2.93Å; L986-S1186 CarbonylContact C-O 3.52Å; L986-S1186 WeakPolarHBondContact CA-O 3.41Å; L986-S1186 WeakPolarHBondContact CD1-OG 3.38Å; V987-S1186 PolarHBondContact N-O 3.17Å |
| 1187 | V | 82.3 | Confident | 74.9 | Confident | 72.4 Ų | 72.4 | 71.6 Ų | 71.6 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.4 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 109 | V987 T989 I1173 T1177 | V987-V1187 HydrophobicContact CB-CG2 4.37Å; V987-V1187 CarbonylContact O-C 3.55Å; V987-V1187 WeakPolarHBondContact O-CA 3.43Å; T989-V1187 HydrophobicContact CG2-CG1 3.65Å; I1173-V1187 HydrophobicContact CG2-CG2 4.24Å; T1177-V1187 HydrophobicContact CG2-CG2 4.3Å |
| 1188 | Y | 84.6 | Confident | 75 | Confident | 26.6 Ų | 26.6 | 69.2 Ų | 69.2 | 10% | 0.104 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.5 | 175 | 175.5 | -100.7 | 0 | 0 | 0 | 109.5 | N934 I935 A938 V987 I988 T989 H999 I1190 P1191 | N934-Y1188 HydrophobicContact CB-CE2 4.08Å; N934-Y1188 VanDerWaalsContact CB-OH 3.3Å; N934-Y1188 WeakPolarHBondContact CB-OH 3.23Å; I935-Y1188 HydrophobicContact CB-CE1 4.28Å; I935-Y1188 HydrophobicContact CD1-CD1 4.44Å; I935-Y1188 HydrophobicContact CD1-CE1 4.37Å; I935-Y1188 HydrophobicContact CG1-CD1 4.28Å; I935-Y1188 HydrophobicContact CG1-CE1 4.28Å; A938-Y1188 HydrophobicContact CB-CD2 3.76Å; A938-Y1188 HydrophobicContact CB-CE2 4.38Å; A938-Y1188 HydrophobicContact CB-CG 4.15Å; V987-Y1188 PolarHBondContact O-N 3.04Å; I988-Y1188 CarbonylContact C-O 3.48Å; I988-Y1188 WeakPolarHBondContact CA-O 3.45Å; I988-Y1188 HydrophobicContact CG1-CD1 4.46Å; I988-Y1188 HydrophobicContact CG2-CD1 4.35Å; T989-Y1188 PolarHBondContact N-O 3.06Å; T989-Y1188 PolarHBondContact OG1-O 3.02Å; H999-Y1188 AromaticContact CD2-CE1 3.88Å; Y1188-I1190 HydrophobicContact CD1-CG1 4.46Å; Y1188-I1190 HydrophobicContact CE1-CG1 4.1Å; Y1188-P1191 WeakPolarHBondContact OH-CD 3.43Å |
| 1189 | Q | 84.5 | Confident | 74.9 | Confident | 136.8 Ų | 136.8 | 67.5 Ų | 67.5 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.5 | 174.1 | -172.2 | 173.2 | -1.1 | 0 | 0 | 109.9 | T989 P1191 | T989-Q1189 HydrophobicContact CG2-CB 3.96Å; T989-Q1189 HydrophobicContact CG2-CG 4.22Å; T989-Q1189 CarbonylContact O-C 3.56Å; T989-Q1189 WeakPolarHBondContact O-CA 3.25Å; T989-Q1189 WeakPolarHBondContact OG1-CA 3.45Å; Q1189-P1191 WeakPolarHBondContact O-CD 3.37Å |
| 1190 | I | 82.3 | Confident | 74.9 | Confident | 15.2 Ų | 15.2 | 66.3 Ų | 66.3 | 8% | 0.078 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 121.4 | 178.2 | -64.8 | 169.9 | 0 | 0 | 0 | 108.7 | I988 T989 K996 H999 Y1188 | I988-I1190 HydrophobicContact CG2-CD1 3.78Å; I988-I1190 HydrophobicContact CG2-CG1 3.93Å; T989-I1190 WeakPolarHBondContact O-CG1 3.16Å; T989-I1190 PolarHBondContact O-N 3.23Å; K996-I1190 HydrophobicContact CB-CD1 4.29Å; K996-I1190 HydrophobicContact CG-CD1 3.81Å; H999-I1190 HydrophobicContact CB-CD1 4.32Å; H999-I1190 VanDerWaalsContact CE1-CG2 3.48Å; H999-I1190 WeakPolarHBondContact CE1-CG2 3.24Å; Y1188-I1190 HydrophobicContact CD1-CG1 4.46Å; Y1188-I1190 HydrophobicContact CE1-CG1 4.1Å |
| 1191 | P | 79.1 | Confident | 74.7 | Confident | 46.2 Ų | 46.2 | 68 Ų | 68 | 30% | 0.3 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 146.7 | 175.2 | 27.4 | -29.3 | 0 | 0 | 0 | 110.4 | H931 Y1188 Q1189 | H931-P1191 PolarHBondContact CE1-O 2.92Å; H931-P1191 PolarHBondContact NE2-O 3.11Å; Y1188-P1191 WeakPolarHBondContact OH-CD 3.43Å; Q1189-P1191 WeakPolarHBondContact O-CD 3.37Å |
| 1192 | Q | 76.5 | Confident | 74.7 | Confident | 135.4 Ų | 135.4 | 62.4 Ų | 62.4 | 63% | 0.633 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 152.5 | 172.9 | -71.1 | 178 | -18.8 | 0 | 0 | 111.5 | R930 T1194 S1231 N1232 | R930-Q1192 PolarHBondContact NH2-O 3.28Å; Q1192-T1194 PolarHBondContact O-N 2.77Å; Q1192-S1231 PolarHBondContact NE2-O 3.47Å; Q1192-N1232 HydrophobicContact CB-CB 4.4Å |
| 1193 | L | 75.6 | Confident | 75 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.6 | 172.5 | -68.3 | 172.6 | 0 | 0 | 0 | 110 | E1197 C1198 N1232 P1234 F1237 | L1193-E1197 WeakPolarHBondContact CA-OE2 3.43Å; L1193-E1197 HydrophobicContact CB-CB 4.37Å; L1193-E1197 HydrophobicContact CD2-CB 3.97Å; L1193-C1198 WeakPolarHBondContact CB-SG 3.39Å; L1193-N1232 HydrophobicContact CB-CB 4.4Å; L1193-N1232 PolarHBondContact N-O 3.17Å; L1193-N1232 VanDerWaalsContact O-CB 3.29Å; L1193-N1232 WeakPolarHBondContact O-CB 3.42Å; L1193-N1232 PolarHBondContact O-ND2 2.94Å; L1193-P1234 HydrophobicContact CD1-CB 4.15Å; L1193-P1234 HydrophobicContact CD1-CG 3.74Å; L1193-P1234 HydrophobicContact CG-CG 4.19Å; L1193-F1237 HydrophobicContact CD1-CD2 4.31Å |
| 1194 | T | 76.6 | Confident | 75 | Confident | 58.8 Ų | 58.8 | 52.4 Ų | 52.4 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -72 | 156.8 | 168.3 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | R930 Q1192 E1196 E1197 C1198 | R930-T1194 VanDerWaalsContact NH1-CG2 3.27Å; Q1192-T1194 PolarHBondContact O-N 2.77Å; T1194-E1196 PolarHBondContact O-N 2.9Å; T1194-E1196 VanDerWaalsContact O-N 3.14Å; T1194-E1197 WeakPolarHBondContact CB-OE2 3.32Å; T1194-E1197 PolarHBondContact N-OE2 3.13Å; T1194-E1197 WeakPolarHBondContact O-CB 3.43Å; T1194-E1197 PolarHBondContact O-N 3.12Å; T1194-E1197 VanDerWaalsContact O-N 3.08Å; T1194-E1197 WeakPolarHBondContact OG1-CB 3.12Å; T1194-E1197 VanDerWaalsContact OG1-CD 3.22Å; T1194-E1197 VanDerWaalsContact OG1-CG 3.25Å; T1194-E1197 WeakPolarHBondContact OG1-CG 3.37Å; T1194-E1197 PolarHBondContact OG1-N 2.97Å; T1194-E1197 PolarHBondContact OG1-OE2 3.13Å; T1194-C1198 PolarHBondContact O-N 3.19Å; T1194-C1198 PolarHBondContact O-SG 2.97Å; T1194-C1198 VanDerWaalsContact O-SG 3.33Å |
| 1195 | S | 73.1 | Confident | 74.7 | Confident | 74.4 Ų | 74.4 | 53.4 Ų | 53.4 | 52% | 0.52 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.7 | -35.2 | 177.9 | 51 | 0 | 0 | 0 | 0 | 112.9 | C1198 R1199 | S1195-C1198 PolarHBondContact O-N 2.97Å; S1195-R1199 VanDerWaalsContact O-CB 3.25Å; S1195-R1199 WeakPolarHBondContact O-CB 3.41Å; S1195-R1199 PolarHBondContact O-N 3.11Å; S1195-R1199 VanDerWaalsContact O-N 3.11Å |
| 1196 | E | 72.7 | Confident | 74.1 | Confident | 140.2 Ų | 140.2 | 53.8 Ų | 53.8 | 66% | 0.655 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 175.7 | -100.7 | 142.3 | -171.9 | 0 | 0 | 112.4 | T1194 R1199 S1200 | T1194-E1196 PolarHBondContact O-N 2.9Å; T1194-E1196 VanDerWaalsContact O-N 3.14Å; E1196-R1199 WeakPolarHBondContact O-CB 3.41Å; E1196-R1199 PolarHBondContact O-N 3.18Å; E1196-S1200 VanDerWaalsContact O-CB 3.28Å; E1196-S1200 WeakPolarHBondContact O-CB 3.38Å; E1196-S1200 PolarHBondContact O-N 3.15Å; E1196-S1200 PolarHBondContact O-OG 3.27Å; E1196-S1200 VanDerWaalsContact O-OG 3.09Å |
| 1197 | E | 73.6 | Confident | 73.1 | Confident | 26.2 Ų | 26.2 | 57.9 Ų | 57.9 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 174.2 | -71.6 | 164.1 | 151.7 | 0 | 0 | 111 | S928 R930 H931 L1193 T1194 R1199 S1200 V1201 | S928-E1197 PolarHBondContact OG-OE1 3.04Å; R930-E1197 IonicContact CZ-OE1 3.56Å; R930-E1197 IonicContact CZ-OE2 3.08Å; R930-E1197 IonicContact NE-OE1 3.14Å; R930-E1197 PolarHBondContact NE-OE1 3.2Å; R930-E1197 IonicContact NE-OE2 3.03Å; R930-E1197 VanDerWaalsContact NH2-CD 3.33Å; R930-E1197 IonicContact NH2-OE1 3.25Å; R930-E1197 PolarHBondContact NH2-OE1 3.32Å; R930-E1197 VanDerWaalsContact NH2-OE1 3.09Å; R930-E1197 IonicContact NH2-OE2 3.24Å; R930-E1197 PolarHBondContact NH2-OE2 3.21Å; H931-E1197 IonicContact CD2-OE1 3.55Å; H931-E1197 IonicContact NE2-OE1 3.32Å; H931-E1197 IonicContact NE2-OE2 3.55Å; L1193-E1197 WeakPolarHBondContact CA-OE2 3.43Å; L1193-E1197 HydrophobicContact CB-CB 4.37Å; L1193-E1197 HydrophobicContact CD2-CB 3.97Å; T1194-E1197 WeakPolarHBondContact CB-OE2 3.32Å; T1194-E1197 PolarHBondContact N-OE2 3.13Å; T1194-E1197 WeakPolarHBondContact O-CB 3.43Å; T1194-E1197 PolarHBondContact O-N 3.12Å; T1194-E1197 VanDerWaalsContact O-N 3.08Å; T1194-E1197 WeakPolarHBondContact OG1-CB 3.12Å; T1194-E1197 VanDerWaalsContact OG1-CD 3.22Å; T1194-E1197 VanDerWaalsContact OG1-CG 3.25Å; T1194-E1197 WeakPolarHBondContact OG1-CG 3.37Å; T1194-E1197 PolarHBondContact OG1-N 2.97Å; T1194-E1197 PolarHBondContact OG1-OE2 3.13Å; E1197-R1199 VanDerWaalsContact C-N 3.33Å; E1197-R1199 PolarHBondContact O-N 3.08Å; E1197-S1200 WeakPolarHBondContact CA-OG 3.4Å; E1197-S1200 PolarHBondContact O-N 3.24Å; E1197-S1200 VanDerWaalsContact O-N 3.1Å; E1197-S1200 PolarHBondContact O-OG 3.23Å; E1197-V1201 WeakPolarHBondContact O-CG2 3.43Å; E1197-V1201 PolarHBondContact O-N 3.29Å |
| 1198 | C | 73.9 | Confident | 71.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | L1193 T1194 S1195 S1200 V1201 I1202 I1226 F1237 | L1193-C1198 WeakPolarHBondContact CB-SG 3.39Å; T1194-C1198 PolarHBondContact O-N 3.19Å; T1194-C1198 PolarHBondContact O-SG 2.97Å; T1194-C1198 VanDerWaalsContact O-SG 3.33Å; S1195-C1198 PolarHBondContact O-N 2.97Å; C1198-S1200 VanDerWaalsContact C-N 3.33Å; C1198-S1200 PolarHBondContact O-N 3.06Å; C1198-V1201 PolarHBondContact O-N 3.02Å; C1198-I1202 WeakPolarHBondContact O-CG1 3.35Å; C1198-I1202 PolarHBondContact O-N 3.36Å; C1198-I1202 VanDerWaalsContact O-N 3.08Å; C1198-I1226 HydrophobicContact CB-CD1 4.06Å; C1198-I1226 HydrophobicContact CB-CG1 4.08Å; C1198-I1226 HydrophobicContact CB-CG2 4.37Å; C1198-F1237 HydrophobicContact CB-CD2 4.47Å; C1198-F1237 HydrophobicContact CB-CE1 4.34Å; C1198-F1237 HydrophobicContact CB-CE2 3.89Å; C1198-F1237 HydrophobicContact CB-CZ 3.92Å; C1198-F1237 WeakPolarHBondContact SG-CE2 3.23Å |
| 1199 | R | 72.1 | Confident | 70.1 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.3 | -179.5 | 179 | 147.8 | 110 | 2.4 | 111.2 | S1195 E1196 E1197 V1201 I1202 L1203 E1219 I1222 I1226 | S1195-R1199 VanDerWaalsContact O-CB 3.25Å; S1195-R1199 WeakPolarHBondContact O-CB 3.41Å; S1195-R1199 PolarHBondContact O-N 3.11Å; S1195-R1199 VanDerWaalsContact O-N 3.11Å; E1196-R1199 WeakPolarHBondContact O-CB 3.41Å; E1196-R1199 PolarHBondContact O-N 3.18Å; E1197-R1199 VanDerWaalsContact C-N 3.33Å; E1197-R1199 PolarHBondContact O-N 3.08Å; R1199-V1201 VanDerWaalsContact C-N 3.33Å; R1199-V1201 PolarHBondContact O-N 3.01Å; R1199-I1202 PolarHBondContact O-N 3.28Å; R1199-L1203 HydrophobicContact CG-CD1 3.76Å; R1199-L1203 HydrophobicContact CG-CG 4.29Å; R1199-L1203 VanDerWaalsContact O-CB 3.29Å; R1199-L1203 WeakPolarHBondContact O-CB 3.35Å; R1199-L1203 VanDerWaalsContact O-CG 3.29Å; R1199-L1203 WeakPolarHBondContact O-CG 3.29Å; R1199-L1203 PolarHBondContact O-N 3.2Å; R1199-E1219 IonicContact CZ-OE1 3.21Å; R1199-E1219 VanDerWaalsContact CZ-OE1 3.3Å; R1199-E1219 IonicContact CZ-OE2 3.29Å; R1199-E1219 VanDerWaalsContact CZ-OE2 3.31Å; R1199-E1219 VanDerWaalsContact NH1-CD 3.33Å; R1199-E1219 IonicContact NH1-OE1 3.48Å; R1199-E1219 PolarHBondContact NH1-OE1 3.02Å; R1199-E1219 IonicContact NH1-OE2 2.96Å; R1199-E1219 PolarHBondContact NH1-OE2 2.97Å; R1199-E1219 IonicContact NH2-OE1 3.13Å; R1199-E1219 PolarHBondContact NH2-OE1 3.18Å; R1199-E1219 IonicContact NH2-OE2 3.13Å; R1199-E1219 PolarHBondContact NH2-OE2 3.21Å; R1199-I1222 HydrophobicContact CG-CG2 4.48Å; R1199-I1226 HydrophobicContact CB-CD1 3.98Å |
| 1200 | S | 71 | Confident | 68.4 | Low | 61 Ų | 61 | 55.3 Ų | 55.3 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 178.1 | -18.6 | 0 | 0 | 0 | 0 | 112.5 | E1196 E1197 C1198 L1203 S1204 | E1196-S1200 VanDerWaalsContact O-CB 3.28Å; E1196-S1200 WeakPolarHBondContact O-CB 3.38Å; E1196-S1200 PolarHBondContact O-N 3.15Å; E1196-S1200 PolarHBondContact O-OG 3.27Å; E1196-S1200 VanDerWaalsContact O-OG 3.09Å; E1197-S1200 WeakPolarHBondContact CA-OG 3.4Å; E1197-S1200 PolarHBondContact O-N 3.24Å; E1197-S1200 VanDerWaalsContact O-N 3.1Å; E1197-S1200 PolarHBondContact O-OG 3.23Å; C1198-S1200 VanDerWaalsContact C-N 3.33Å; C1198-S1200 PolarHBondContact O-N 3.06Å; S1200-L1203 PolarHBondContact O-N 3.39Å; S1200-S1204 WeakPolarHBondContact O-CB 3.35Å; S1200-S1204 PolarHBondContact O-N 3.27Å; S1200-S1204 PolarHBondContact O-OG 3.39Å |
| 1201 | V | 68.5 | Low | 67 | Low | 47.8 Ų | 47.8 | 56.7 Ų | 56.7 | 29% | 0.29 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | E1197 C1198 R1199 L1203 S1204 H1205 F1237 | E1197-V1201 WeakPolarHBondContact O-CG2 3.43Å; E1197-V1201 PolarHBondContact O-N 3.29Å; C1198-V1201 PolarHBondContact O-N 3.02Å; R1199-V1201 VanDerWaalsContact C-N 3.33Å; R1199-V1201 PolarHBondContact O-N 3.01Å; V1201-L1203 PolarHBondContact O-N 3.11Å; V1201-S1204 PolarHBondContact O-N 2.98Å; V1201-S1204 PolarHBondContact O-OG 2.98Å; V1201-S1204 VanDerWaalsContact O-OG 3.07Å; V1201-H1205 WeakPolarHBondContact O-CB 3.3Å; V1201-H1205 PolarHBondContact O-CD2 3.29Å; V1201-H1205 PolarHBondContact O-N 3.14Å; V1201-F1237 HydrophobicContact CG1-CB 4.47Å |
| 1202 | I | 69 | Low | 65.5 | Low | 5.4 Ų | 5.4 | 59.1 Ų | 59.1 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 178.4 | -64.5 | 164.6 | 0 | 0 | 0 | 110.5 | C1198 R1199 H1205 L1206 I1222 L1225 I1226 F1237 | C1198-I1202 WeakPolarHBondContact O-CG1 3.35Å; C1198-I1202 PolarHBondContact O-N 3.36Å; C1198-I1202 VanDerWaalsContact O-N 3.08Å; R1199-I1202 PolarHBondContact O-N 3.28Å; I1202-H1205 PolarHBondContact O-N 3.19Å; I1202-L1206 HydrophobicContact CG2-CD1 3.83Å; I1202-L1206 HydrophobicContact CG2-CG 4.37Å; I1202-L1206 WeakPolarHBondContact O-CB 3.39Å; I1202-L1206 VanDerWaalsContact O-CG 3.29Å; I1202-L1206 WeakPolarHBondContact O-CG 3.27Å; I1202-L1206 PolarHBondContact O-N 3.11Å; I1202-I1222 HydrophobicContact CD1-CG2 4.03Å; I1202-I1222 HydrophobicContact CG2-CD1 4.17Å; I1202-I1222 HydrophobicContact CG2-CG1 4.21Å; I1202-I1222 HydrophobicContact CG2-CG2 4.39Å; I1202-L1225 HydrophobicContact CD1-CD2 4.19Å; I1202-I1226 HydrophobicContact CD1-CD1 4.3Å; I1202-I1226 HydrophobicContact CD1-CG1 4.09Å; I1202-F1237 HydrophobicContact CD1-CD1 3.64Å; I1202-F1237 HydrophobicContact CD1-CE1 3.95Å; I1202-F1237 HydrophobicContact CD1-CG 4.32Å; I1202-F1237 HydrophobicContact CG1-CB 4.2Å; I1202-F1237 HydrophobicContact CG1-CD1 3.99Å; I1202-F1237 HydrophobicContact CG1-CG 4.24Å |
| 1203 | L | 68.6 | Low | 64.1 | Low | 34.6 Ų | 34.6 | 56.5 Ų | 56.5 | 18% | 0.181 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 179.9 | -70.9 | 174.7 | 0 | 0 | 0 | 112 | R1199 S1200 V1201 H1205 L1206 Q1207 V1214 I1222 | R1199-L1203 HydrophobicContact CG-CD1 3.76Å; R1199-L1203 HydrophobicContact CG-CG 4.29Å; R1199-L1203 VanDerWaalsContact O-CB 3.29Å; R1199-L1203 WeakPolarHBondContact O-CB 3.35Å; R1199-L1203 VanDerWaalsContact O-CG 3.29Å; R1199-L1203 WeakPolarHBondContact O-CG 3.29Å; R1199-L1203 PolarHBondContact O-N 3.2Å; S1200-L1203 PolarHBondContact O-N 3.39Å; V1201-L1203 PolarHBondContact O-N 3.11Å; L1203-H1205 VanDerWaalsContact C-N 3.31Å; L1203-H1205 PolarHBondContact O-N 3.14Å; L1203-L1206 PolarHBondContact O-N 3.16Å; L1203-Q1207 VanDerWaalsContact O-CB 3.3Å; L1203-Q1207 WeakPolarHBondContact O-CB 3.39Å; L1203-Q1207 VanDerWaalsContact O-CG 3.25Å; L1203-Q1207 WeakPolarHBondContact O-CG 3.31Å; L1203-Q1207 PolarHBondContact O-N 3Å; L1203-V1214 HydrophobicContact CD2-CB 4.29Å; L1203-V1214 HydrophobicContact CD2-CG1 4.17Å; L1203-V1214 HydrophobicContact CD2-CG2 3.91Å; L1203-I1222 HydrophobicContact CD2-CD1 4.02Å; L1203-I1222 HydrophobicContact CG-CD1 4.44Å |
| 1204 | S | 65 | Low | 62.9 | Low | 60.4 Ų | 60.4 | 57.9 Ų | 57.9 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.7 | 146.1 | 0 | 0 | 0 | 0 | 111.7 | S1200 V1201 Q1207 S1208 | S1200-S1204 WeakPolarHBondContact O-CB 3.35Å; S1200-S1204 PolarHBondContact O-N 3.27Å; S1200-S1204 PolarHBondContact O-OG 3.39Å; V1201-S1204 PolarHBondContact O-N 2.98Å; V1201-S1204 PolarHBondContact O-OG 2.98Å; V1201-S1204 VanDerWaalsContact O-OG 3.07Å; S1204-Q1207 PolarHBondContact O-N 3.37Å; S1204-S1208 VanDerWaalsContact O-CB 3.28Å; S1204-S1208 WeakPolarHBondContact O-CB 3.36Å; S1204-S1208 PolarHBondContact O-N 3.19Å; S1204-S1208 VanDerWaalsContact O-N 3.09Å; S1204-S1208 PolarHBondContact O-OG 2.84Å |
| 1205 | H | 63.2 | Low | 61.8 | Low | 39.4 Ų | 39.4 | 57.9 Ų | 57.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 177.2 | -125.6 | 61.5 | 0 | 0 | 0 | 112.4 | V1201 I1202 L1203 Q1207 S1208 N1209 Y1238 C1241 K1242 Q1245 | V1201-H1205 WeakPolarHBondContact O-CB 3.3Å; V1201-H1205 PolarHBondContact O-CD2 3.29Å; V1201-H1205 PolarHBondContact O-N 3.14Å; I1202-H1205 PolarHBondContact O-N 3.19Å; L1203-H1205 VanDerWaalsContact C-N 3.31Å; L1203-H1205 PolarHBondContact O-N 3.14Å; H1205-Q1207 VanDerWaalsContact C-N 3.31Å; H1205-Q1207 PolarHBondContact O-N 2.93Å; H1205-S1208 WeakPolarHBondContact CA-OG 3.33Å; H1205-S1208 WeakPolarHBondContact O-CB 3.41Å; H1205-S1208 PolarHBondContact O-N 2.85Å; H1205-S1208 VanDerWaalsContact O-N 3.16Å; H1205-S1208 PolarHBondContact O-OG 3.03Å; H1205-S1208 VanDerWaalsContact O-OG 3.05Å; H1205-N1209 PolarHBondContact CD2-ND2 3.19Å; H1205-N1209 WeakPolarHBondContact O-CB 3.19Å; H1205-N1209 PolarHBondContact O-N 3.06Å; H1205-N1209 VanDerWaalsContact O-N 3.16Å; H1205-N1209 PolarHBondContact O-ND2 3.2Å; H1205-N1209 VanDerWaalsContact O-ND2 3.11Å; H1205-N1209 PolarHBondContact O-OD1 3.21Å; H1205-Y1238 AromaticContact CD2-CD2 3.75Å; H1205-Y1238 AromaticContact CD2-CE2 3.98Å; H1205-Y1238 AromaticContact CE1-CD2 3.86Å; H1205-Y1238 AromaticContact CE1-CE2 3.49Å; H1205-Y1238 VanDerWaalsContact CE1-CE2 3.43Å; H1205-Y1238 WeakPolarHBondContact CE1-CE2 3.38Å; H1205-Y1238 AromaticContact NE2-CD2 3.54Å; H1205-Y1238 WeakPolarHBondContact NE2-CD2 3.39Å; H1205-Y1238 AromaticContact NE2-CE2 3.26Å; H1205-Y1238 VanDerWaalsContact NE2-CE2 3.3Å; H1205-Y1238 WeakPolarHBondContact NE2-CE2 3.26Å; H1205-C1241 HydrophobicContact CB-CB 4.02Å; H1205-C1241 VanDerWaalsContact CD2-CB 3.48Å; H1205-C1241 WeakPolarHBondContact CD2-CB 3.11Å; H1205-K1242 WeakPolarHBondContact NE2-CD 3.47Å; H1205-K1242 WeakPolarHBondContact NE2-CE 3.38Å; H1205-K1242 PolarHBondContact NE2-NZ 2.94Å; H1205-Q1245 PolarHBondContact NE2-NE2 3.26Å; H1205-Q1245 VanDerWaalsContact NE2-NE2 3.18Å |
| 1206 | L | 62.4 | Low | 61 | Low | 17.8 Ų | 17.8 | 58.8 Ų | 58.8 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 173.7 | -70.5 | 172.6 | 0 | 0 | 0 | 111.6 | I1202 L1203 S1208 N1209 G1210 V1211 V1214 L1218 I1222 L1244 | I1202-L1206 HydrophobicContact CG2-CD1 3.83Å; I1202-L1206 HydrophobicContact CG2-CG 4.37Å; I1202-L1206 WeakPolarHBondContact O-CB 3.39Å; I1202-L1206 VanDerWaalsContact O-CG 3.29Å; I1202-L1206 WeakPolarHBondContact O-CG 3.27Å; I1202-L1206 PolarHBondContact O-N 3.11Å; L1203-L1206 PolarHBondContact O-N 3.16Å; L1206-S1208 VanDerWaalsContact C-N 3.33Å; L1206-S1208 PolarHBondContact O-N 2.73Å; L1206-N1209 PolarHBondContact O-N 3.02Å; L1206-N1209 VanDerWaalsContact O-N 3.17Å; L1206-G1210 PolarHBondContact O-N 3.4Å; L1206-V1211 HydrophobicContact CB-CB 4.29Å; L1206-V1211 HydrophobicContact CB-CG2 4.47Å; L1206-V1211 HydrophobicContact CD2-CB 4.48Å; L1206-V1211 HydrophobicContact CD2-CG2 4.39Å; L1206-V1211 WeakPolarHBondContact O-CB 3.31Å; L1206-V1211 PolarHBondContact O-N 3.18Å; L1206-V1211 VanDerWaalsContact O-N 3.12Å; L1206-V1214 HydrophobicContact CD1-CG2 4.31Å; L1206-L1218 HydrophobicContact CD1-CD2 4.01Å; L1206-I1222 HydrophobicContact CD1-CD1 4.28Å; L1206-L1244 HydrophobicContact CD2-CB 4.41Å; L1206-L1244 HydrophobicContact CD2-CD1 4.33Å |
| 1207 | Q | 60.4 | Low | 60.2 | Low | 117.4 Ų | 117.4 | 58.4 Ų | 58.4 | 55% | 0.549 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.8 | -75.6 | 173.4 | -1.2 | 0 | 0 | 112.4 | L1203 S1204 H1205 N1209 G1210 | L1203-Q1207 VanDerWaalsContact O-CB 3.3Å; L1203-Q1207 WeakPolarHBondContact O-CB 3.39Å; L1203-Q1207 VanDerWaalsContact O-CG 3.25Å; L1203-Q1207 WeakPolarHBondContact O-CG 3.31Å; L1203-Q1207 PolarHBondContact O-N 3Å; S1204-Q1207 PolarHBondContact O-N 3.37Å; H1205-Q1207 VanDerWaalsContact C-N 3.31Å; H1205-Q1207 PolarHBondContact O-N 2.93Å; Q1207-N1209 VanDerWaalsContact C-N 3.26Å; Q1207-N1209 PolarHBondContact O-N 3.01Å; Q1207-N1209 VanDerWaalsContact O-N 3.17Å; Q1207-G1210 PolarHBondContact O-N 3.39Å; Q1207-G1210 VanDerWaalsContact O-N 3.08Å |
| 1208 | S | 54.5 | Low | 59.6 | Low | 73 Ų | 73 | 58.1 Ų | 58.1 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -24.7 | 177.9 | 71 | 0 | 0 | 0 | 0 | 112.8 | S1204 H1205 L1206 G1210 | S1204-S1208 VanDerWaalsContact O-CB 3.28Å; S1204-S1208 WeakPolarHBondContact O-CB 3.36Å; S1204-S1208 PolarHBondContact O-N 3.19Å; S1204-S1208 VanDerWaalsContact O-N 3.09Å; S1204-S1208 PolarHBondContact O-OG 2.84Å; H1205-S1208 WeakPolarHBondContact CA-OG 3.33Å; H1205-S1208 WeakPolarHBondContact O-CB 3.41Å; H1205-S1208 PolarHBondContact O-N 2.85Å; H1205-S1208 VanDerWaalsContact O-N 3.16Å; H1205-S1208 PolarHBondContact O-OG 3.03Å; H1205-S1208 VanDerWaalsContact O-OG 3.05Å; L1206-S1208 VanDerWaalsContact C-N 3.33Å; L1206-S1208 PolarHBondContact O-N 2.73Å; S1208-G1210 VanDerWaalsContact C-N 3.33Å; S1208-G1210 PolarHBondContact O-N 3.46Å; S1208-G1210 VanDerWaalsContact O-N 3.1Å |
| 1209 | N | 50.1 | Low | 59.2 | Low | 59 Ų | 59 | 61.8 Ų | 61.8 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 10.8 | -179.8 | -63.5 | -47.2 | 0 | 0 | 0 | 113.9 | S760 H1205 L1206 Q1207 V1211 K1242 Q1245 | S760-N1209 VanDerWaalsContact CB-O 3.31Å; S760-N1209 WeakPolarHBondContact CB-O 3.34Å; H1205-N1209 PolarHBondContact CD2-ND2 3.19Å; H1205-N1209 WeakPolarHBondContact O-CB 3.19Å; H1205-N1209 PolarHBondContact O-N 3.06Å; H1205-N1209 VanDerWaalsContact O-N 3.16Å; H1205-N1209 PolarHBondContact O-ND2 3.2Å; H1205-N1209 VanDerWaalsContact O-ND2 3.11Å; H1205-N1209 PolarHBondContact O-OD1 3.21Å; L1206-N1209 PolarHBondContact O-N 3.02Å; L1206-N1209 VanDerWaalsContact O-N 3.17Å; Q1207-N1209 VanDerWaalsContact C-N 3.26Å; Q1207-N1209 PolarHBondContact O-N 3.01Å; Q1207-N1209 VanDerWaalsContact O-N 3.17Å; N1209-V1211 VanDerWaalsContact C-N 3.34Å; N1209-V1211 PolarHBondContact O-N 3.17Å; N1209-K1242 PolarHBondContact OD1-NZ 3.02Å; N1209-Q1245 HydrophobicContact CB-CG 4.34Å; N1209-Q1245 WeakPolarHBondContact ND2-CG 3.28Å; N1209-Q1245 PolarHBondContact ND2-NE2 3.1Å; N1209-Q1245 VanDerWaalsContact ND2-NE2 3.17Å; N1209-Q1245 WeakPolarHBondContact OD1-CG 3.19Å; N1209-Q1245 PolarHBondContact OD1-NE2 3.07Å |
| 1210 | G | 49.2 | Very low | 58.9 | Low | 48.4 Ų | 48.4 | 66.3 Ų | 66.3 | 50% | 0.499 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 9.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1206 Q1207 S1208 S1212 | L1206-G1210 PolarHBondContact O-N 3.4Å; Q1207-G1210 PolarHBondContact O-N 3.39Å; Q1207-G1210 VanDerWaalsContact O-N 3.08Å; S1208-G1210 VanDerWaalsContact C-N 3.33Å; S1208-G1210 PolarHBondContact O-N 3.46Å; S1208-G1210 VanDerWaalsContact O-N 3.1Å; G1210-S1212 VanDerWaalsContact C-N 3.31Å; G1210-S1212 PolarHBondContact O-N 2.92Å |
| 1211 | V | 52 | Low | 58.6 | Low | 45.4 Ų | 45.4 | 64.6 Ų | 64.6 | 28% | 0.275 | 37% | 0.371 | S | S | . | . | trans | -79.2 | 88.9 | 170.4 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | L1206 N1209 C1213 V1214 | L1206-V1211 HydrophobicContact CB-CB 4.29Å; L1206-V1211 HydrophobicContact CB-CG2 4.47Å; L1206-V1211 HydrophobicContact CD2-CB 4.48Å; L1206-V1211 HydrophobicContact CD2-CG2 4.39Å; L1206-V1211 WeakPolarHBondContact O-CB 3.31Å; L1206-V1211 PolarHBondContact O-N 3.18Å; L1206-V1211 VanDerWaalsContact O-N 3.12Å; N1209-V1211 VanDerWaalsContact C-N 3.34Å; N1209-V1211 PolarHBondContact O-N 3.17Å; V1211-C1213 VanDerWaalsContact C-N 3.29Å; V1211-C1213 PolarHBondContact O-N 3.14Å; V1211-V1214 HydrophobicContact CG1-CG2 4.08Å | ||
| 1212 | S | 47.3 | Very low | 58.6 | Low | 97 Ų | 97 | 62.6 Ų | 62.6 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | trans | -75.4 | -5.3 | -171.4 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | M722 G1210 | M722-S1212 WeakPolarHBondContact SD-CB 3.37Å; G1210-S1212 VanDerWaalsContact C-N 3.31Å; G1210-S1212 PolarHBondContact O-N 2.92Å | ||
| 1213 | C | 46.8 | Very low | 58.7 | Low | 81.2 Ų | 81.2 | 64.9 Ų | 64.9 | 55% | 0.549 | 38% | 0.378 | S | S | . | . | trans | -126.3 | 119.1 | 177.5 | -80.9 | 0 | 0 | 0 | 0 | 110.4 | V1211 P1215 L1218 H1250 | V1211-C1213 VanDerWaalsContact C-N 3.29Å; V1211-C1213 PolarHBondContact O-N 3.14Å; C1213-P1215 VanDerWaalsContact O-CD 3.28Å; C1213-P1215 WeakPolarHBondContact O-CD 3.37Å; C1213-L1218 HydrophobicContact CB-CD1 3.91Å; C1213-L1218 WeakPolarHBondContact SG-CD1 3.48Å; C1213-H1250 PolarHBondContact SG-CE1 3.1Å; C1213-H1250 PolarHBondContact SG-ND1 3.5Å | ||
| 1214 | V | 50.9 | Low | 58.7 | Low | 50.2 Ų | 50.2 | 66.2 Ų | 66.2 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | trans | -81.3 | 109.9 | 163.4 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | L1203 L1206 V1211 S1216 Q1217 L1218 E1219 I1222 | L1203-V1214 HydrophobicContact CD2-CB 4.29Å; L1203-V1214 HydrophobicContact CD2-CG1 4.17Å; L1203-V1214 HydrophobicContact CD2-CG2 3.91Å; L1206-V1214 HydrophobicContact CD1-CG2 4.31Å; V1211-V1214 HydrophobicContact CG1-CG2 4.08Å; V1214-S1216 WeakPolarHBondContact CG1-OG 3.4Å; V1214-S1216 PolarHBondContact O-N 3.26Å; V1214-Q1217 PolarHBondContact O-N 3.33Å; V1214-Q1217 VanDerWaalsContact O-N 3.14Å; V1214-L1218 HydrophobicContact CB-CD1 4.48Å; V1214-L1218 HydrophobicContact CG1-CB 3.68Å; V1214-L1218 VanDerWaalsContact CG1-CB 3.5Å; V1214-L1218 HydrophobicContact CG1-CD1 4.17Å; V1214-L1218 HydrophobicContact CG1-CD2 3.82Å; V1214-L1218 HydrophobicContact CG1-CG 4.31Å; V1214-L1218 HydrophobicContact CG2-CD2 4.25Å; V1214-E1219 HydrophobicContact CG1-CG 4.04Å; V1214-I1222 HydrophobicContact CG1-CD1 4.25Å | ||
| 1215 | P | 54.2 | Low | 58.8 | Low | 58.4 Ų | 58.4 | 63.8 Ų | 63.8 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | trans | -59.1 | 155.6 | 175.5 | -10.3 | 19 | 0 | 0 | 0 | 110.2 | C1213 Q1217 L1218 E1219 | C1213-P1215 VanDerWaalsContact O-CD 3.28Å; C1213-P1215 WeakPolarHBondContact O-CD 3.37Å; P1215-Q1217 VanDerWaalsContact C-N 3.28Å; P1215-Q1217 PolarHBondContact O-N 2.91Å; P1215-Q1217 VanDerWaalsContact O-N 3.13Å; P1215-L1218 HydrophobicContact CG-CB 4.43Å; P1215-L1218 HydrophobicContact CG-CD1 4.22Å; P1215-L1218 WeakPolarHBondContact O-CA 3.48Å; P1215-L1218 WeakPolarHBondContact O-CB 3.33Å; P1215-L1218 PolarHBondContact O-N 2.95Å; P1215-E1219 VanDerWaalsContact C-CG 3.48Å; P1215-E1219 WeakPolarHBondContact O-CG 3.16Å; P1215-E1219 PolarHBondContact O-N 3.28Å; P1215-E1219 VanDerWaalsContact O-N 3.15Å | ||
| 1216 | S | 55.6 | Low | 59.1 | Low | 92.6 Ų | 92.6 | 63.1 Ų | 63.1 | 65% | 0.648 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -53.4 | -23.4 | 177.9 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | V1214 L1218 E1219 Y1220 | V1214-S1216 WeakPolarHBondContact CG1-OG 3.4Å; V1214-S1216 PolarHBondContact O-N 3.26Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 2.8Å; S1216-E1219 WeakPolarHBondContact O-CB 3.05Å; S1216-E1219 PolarHBondContact O-N 3.06Å; S1216-Y1220 PolarHBondContact O-N 3.25Å |
| 1217 | Q | 56 | Low | 59.5 | Low | 131.4 Ų | 131.4 | 66.8 Ų | 66.8 | 61% | 0.614 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.2 | -32.8 | 175.8 | -65.5 | -177.7 | -1.7 | 0 | 0 | 113.7 | V1214 P1215 E1219 Y1220 E1221 K1254 | V1214-Q1217 PolarHBondContact O-N 3.33Å; V1214-Q1217 VanDerWaalsContact O-N 3.14Å; P1215-Q1217 VanDerWaalsContact C-N 3.28Å; P1215-Q1217 PolarHBondContact O-N 2.91Å; P1215-Q1217 VanDerWaalsContact O-N 3.13Å; Q1217-E1219 VanDerWaalsContact C-N 3.31Å; Q1217-E1219 PolarHBondContact O-N 2.98Å; Q1217-Y1220 WeakPolarHBondContact O-CB 3.36Å; Q1217-Y1220 PolarHBondContact O-N 3.05Å; Q1217-E1221 WeakPolarHBondContact O-CG 3.23Å; Q1217-E1221 PolarHBondContact O-N 3.08Å; Q1217-E1221 VanDerWaalsContact O-N 3.15Å; Q1217-K1254 VanDerWaalsContact OE1-NZ 3.15Å |
| 1218 | L | 60.6 | Low | 59.7 | Low | 20.4 Ų | 20.4 | 63.6 Ų | 63.6 | 11% | 0.107 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -82.8 | -19.7 | 178.2 | -100.9 | 152.8 | 0 | 0 | 0 | 112 | L1206 C1213 V1214 P1215 S1216 Y1220 E1221 I1222 V1253 L1257 | L1206-L1218 HydrophobicContact CD1-CD2 4.01Å; C1213-L1218 HydrophobicContact CB-CD1 3.91Å; C1213-L1218 WeakPolarHBondContact SG-CD1 3.48Å; V1214-L1218 HydrophobicContact CB-CD1 4.48Å; V1214-L1218 HydrophobicContact CG1-CB 3.68Å; V1214-L1218 VanDerWaalsContact CG1-CB 3.5Å; V1214-L1218 HydrophobicContact CG1-CD1 4.17Å; V1214-L1218 HydrophobicContact CG1-CD2 3.82Å; V1214-L1218 HydrophobicContact CG1-CG 4.31Å; V1214-L1218 HydrophobicContact CG2-CD2 4.25Å; P1215-L1218 HydrophobicContact CG-CB 4.43Å; P1215-L1218 HydrophobicContact CG-CD1 4.22Å; P1215-L1218 WeakPolarHBondContact O-CA 3.48Å; P1215-L1218 WeakPolarHBondContact O-CB 3.33Å; P1215-L1218 PolarHBondContact O-N 2.95Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 2.8Å; L1218-Y1220 VanDerWaalsContact C-N 3.31Å; L1218-Y1220 PolarHBondContact O-N 3.19Å; L1218-E1221 WeakPolarHBondContact CA-OE2 3.38Å; L1218-E1221 WeakPolarHBondContact CD2-OE2 3.38Å; L1218-E1221 PolarHBondContact O-N 3.12Å; L1218-I1222 HydrophobicContact CB-CD1 3.99Å; L1218-I1222 HydrophobicContact CB-CG1 4.36Å; L1218-I1222 HydrophobicContact CD2-CD1 3.96Å; L1218-I1222 WeakPolarHBondContact O-CB 3.46Å; L1218-I1222 WeakPolarHBondContact O-CD1 3.25Å; L1218-I1222 VanDerWaalsContact O-CG1 3.28Å; L1218-I1222 WeakPolarHBondContact O-CG1 3.41Å; L1218-I1222 PolarHBondContact O-N 3.21Å; L1218-V1253 HydrophobicContact CD1-CG1 4.03Å; L1218-V1253 HydrophobicContact CD2-CG1 4.37Å; L1218-L1257 HydrophobicContact CD1-CD1 3.73Å; L1218-L1257 HydrophobicContact CD2-CD1 3.88Å; L1218-L1257 HydrophobicContact CG-CD1 4.22Å |
| 1219 | E | 64.9 | Low | 60.3 | Low | 78.8 Ų | 78.8 | 60.7 Ų | 60.7 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 176.9 | -65.5 | -160.3 | 150.8 | 0 | 0 | 112.6 | R1199 V1214 P1215 S1216 Q1217 E1221 I1222 A1223 | R1199-E1219 IonicContact CZ-OE1 3.21Å; R1199-E1219 VanDerWaalsContact CZ-OE1 3.3Å; R1199-E1219 IonicContact CZ-OE2 3.29Å; R1199-E1219 VanDerWaalsContact CZ-OE2 3.31Å; R1199-E1219 VanDerWaalsContact NH1-CD 3.33Å; R1199-E1219 IonicContact NH1-OE1 3.48Å; R1199-E1219 PolarHBondContact NH1-OE1 3.02Å; R1199-E1219 IonicContact NH1-OE2 2.96Å; R1199-E1219 PolarHBondContact NH1-OE2 2.97Å; R1199-E1219 IonicContact NH2-OE1 3.13Å; R1199-E1219 PolarHBondContact NH2-OE1 3.18Å; R1199-E1219 IonicContact NH2-OE2 3.13Å; R1199-E1219 PolarHBondContact NH2-OE2 3.21Å; V1214-E1219 HydrophobicContact CG1-CG 4.04Å; P1215-E1219 VanDerWaalsContact C-CG 3.48Å; P1215-E1219 WeakPolarHBondContact O-CG 3.16Å; P1215-E1219 PolarHBondContact O-N 3.28Å; P1215-E1219 VanDerWaalsContact O-N 3.15Å; S1216-E1219 WeakPolarHBondContact O-CB 3.05Å; S1216-E1219 PolarHBondContact O-N 3.06Å; Q1217-E1219 VanDerWaalsContact C-N 3.31Å; Q1217-E1219 PolarHBondContact O-N 2.98Å; E1219-E1221 VanDerWaalsContact C-N 3.33Å; E1219-I1222 PolarHBondContact O-N 3.19Å; E1219-A1223 VanDerWaalsContact O-CB 3.28Å; E1219-A1223 WeakPolarHBondContact O-CB 3.35Å; E1219-A1223 PolarHBondContact O-N 3.06Å |
| 1220 | Y | 66.5 | Low | 60.8 | Low | 172.2 Ų | 172.2 | 65.8 Ų | 65.8 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 175.6 | -178.4 | -96.3 | 0 | 0 | 0 | 110.8 | S1216 Q1217 L1218 A1223 V1224 | S1216-Y1220 PolarHBondContact O-N 3.25Å; Q1217-Y1220 WeakPolarHBondContact O-CB 3.36Å; Q1217-Y1220 PolarHBondContact O-N 3.05Å; L1218-Y1220 VanDerWaalsContact C-N 3.31Å; L1218-Y1220 PolarHBondContact O-N 3.19Å; Y1220-A1223 WeakPolarHBondContact O-CB 3.33Å; Y1220-A1223 PolarHBondContact O-N 3.19Å; Y1220-V1224 HydrophobicContact CD1-CG2 4.15Å; Y1220-V1224 HydrophobicContact CE1-CG2 3.8Å; Y1220-V1224 HydrophobicContact CE2-CG2 4.46Å; Y1220-V1224 WeakPolarHBondContact O-CB 3.45Å; Y1220-V1224 VanDerWaalsContact O-CG2 3.28Å; Y1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; Y1220-V1224 PolarHBondContact O-N 3.25Å |
| 1221 | E | 65.3 | Low | 61.3 | Low | 25.8 Ų | 25.8 | 65.6 Ų | 65.6 | 12% | 0.121 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | 179.1 | -67.4 | 160.4 | 174.6 | 0 | 0 | 112.2 | Q1217 L1218 E1219 A1223 V1224 L1225 K1254 L1257 K1258 | Q1217-E1221 WeakPolarHBondContact O-CG 3.23Å; Q1217-E1221 PolarHBondContact O-N 3.08Å; Q1217-E1221 VanDerWaalsContact O-N 3.15Å; L1218-E1221 WeakPolarHBondContact CA-OE2 3.38Å; L1218-E1221 WeakPolarHBondContact CD2-OE2 3.38Å; L1218-E1221 PolarHBondContact O-N 3.12Å; E1219-E1221 VanDerWaalsContact C-N 3.33Å; E1221-A1223 VanDerWaalsContact C-N 3.34Å; E1221-V1224 PolarHBondContact O-N 3.04Å; E1221-L1225 WeakPolarHBondContact O-CB 3.36Å; E1221-L1225 WeakPolarHBondContact O-CG 3.29Å; E1221-L1225 PolarHBondContact O-N 3.13Å; E1221-K1254 HydrophobicContact CG-CG 4.23Å; E1221-K1254 VanDerWaalsContact OE1-CE 3.23Å; E1221-K1254 WeakPolarHBondContact OE1-CE 3.27Å; E1221-K1254 VanDerWaalsContact OE1-CG 3.31Å; E1221-K1254 WeakPolarHBondContact OE1-CG 3.35Å; E1221-K1254 IonicContact OE1-NZ 3.85Å; E1221-K1254 WeakPolarHBondContact OE2-CG 3.47Å; E1221-L1257 HydrophobicContact CB-CB 4.15Å; E1221-L1257 HydrophobicContact CB-CD1 4.11Å; E1221-L1257 HydrophobicContact CG-CD1 3.82Å; E1221-L1257 VanDerWaalsContact OE2-CD1 3.27Å; E1221-L1257 WeakPolarHBondContact OE2-CD1 3.41Å; E1221-K1258 WeakPolarHBondContact OE1-CE 3.35Å; E1221-K1258 IonicContact OE1-NZ 2.74Å; E1221-K1258 PolarHBondContact OE1-NZ 3.31Å |
| 1222 | I | 68.7 | Low | 62 | Low | 6.2 Ų | 6.2 | 65.3 Ų | 65.3 | 3% | 0.032 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 172 | -68.1 | 166.3 | 0 | 0 | 0 | 110.8 | R1199 I1202 L1203 L1206 V1214 L1218 E1219 V1224 L1225 I1226 | R1199-I1222 HydrophobicContact CG-CG2 4.48Å; I1202-I1222 HydrophobicContact CD1-CG2 4.03Å; I1202-I1222 HydrophobicContact CG2-CD1 4.17Å; I1202-I1222 HydrophobicContact CG2-CG1 4.21Å; I1202-I1222 HydrophobicContact CG2-CG2 4.39Å; L1203-I1222 HydrophobicContact CD2-CD1 4.02Å; L1203-I1222 HydrophobicContact CG-CD1 4.44Å; L1206-I1222 HydrophobicContact CD1-CD1 4.28Å; V1214-I1222 HydrophobicContact CG1-CD1 4.25Å; L1218-I1222 HydrophobicContact CB-CD1 3.99Å; L1218-I1222 HydrophobicContact CB-CG1 4.36Å; L1218-I1222 HydrophobicContact CD2-CD1 3.96Å; L1218-I1222 WeakPolarHBondContact O-CB 3.46Å; L1218-I1222 WeakPolarHBondContact O-CD1 3.25Å; L1218-I1222 VanDerWaalsContact O-CG1 3.28Å; L1218-I1222 WeakPolarHBondContact O-CG1 3.41Å; L1218-I1222 PolarHBondContact O-N 3.21Å; E1219-I1222 PolarHBondContact O-N 3.19Å; I1222-V1224 VanDerWaalsContact C-N 3.34Å; I1222-V1224 PolarHBondContact O-N 3.46Å; I1222-L1225 WeakPolarHBondContact O-CB 3.43Å; I1222-L1225 PolarHBondContact O-N 3.06Å; I1222-I1226 HydrophobicContact CG2-CD1 3.82Å; I1222-I1226 HydrophobicContact CG2-CG1 4.44Å; I1222-I1226 VanDerWaalsContact O-CG1 3.28Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.35Å; I1222-I1226 PolarHBondContact O-N 3.11Å |
| 1223 | A | 69.9 | Low | 63.1 | Low | 52.8 Ų | 52.8 | 61.8 Ų | 61.8 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E1219 Y1220 E1221 L1225 I1226 S1227 | E1219-A1223 VanDerWaalsContact O-CB 3.28Å; E1219-A1223 WeakPolarHBondContact O-CB 3.35Å; E1219-A1223 PolarHBondContact O-N 3.06Å; Y1220-A1223 WeakPolarHBondContact O-CB 3.33Å; Y1220-A1223 PolarHBondContact O-N 3.19Å; E1221-A1223 VanDerWaalsContact C-N 3.34Å; A1223-L1225 VanDerWaalsContact C-N 3.35Å; A1223-I1226 PolarHBondContact O-N 3.19Å; A1223-S1227 WeakPolarHBondContact O-CB 3.15Å; A1223-S1227 PolarHBondContact O-N 3.31Å; A1223-S1227 PolarHBondContact O-OG 3.22Å |
| 1224 | V | 68.8 | Low | 64.2 | Low | 62.8 Ų | 62.8 | 60.1 Ų | 60.1 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 173 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Y1220 E1221 I1222 I1226 S1227 A1228 | Y1220-V1224 HydrophobicContact CD1-CG2 4.15Å; Y1220-V1224 HydrophobicContact CE1-CG2 3.8Å; Y1220-V1224 HydrophobicContact CE2-CG2 4.46Å; Y1220-V1224 WeakPolarHBondContact O-CB 3.45Å; Y1220-V1224 VanDerWaalsContact O-CG2 3.28Å; Y1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; Y1220-V1224 PolarHBondContact O-N 3.25Å; E1221-V1224 PolarHBondContact O-N 3.04Å; I1222-V1224 VanDerWaalsContact C-N 3.34Å; I1222-V1224 PolarHBondContact O-N 3.46Å; V1224-I1226 PolarHBondContact O-N 2.94Å; V1224-S1227 WeakPolarHBondContact CA-OG 3.36Å; V1224-S1227 CarbonylContact O-C 3.55Å; V1224-S1227 PolarHBondContact O-N 3.17Å; V1224-S1227 VanDerWaalsContact O-N 3.13Å; V1224-S1227 PolarHBondContact O-OG 3.24Å; V1224-A1228 WeakPolarHBondContact O-CB 3.36Å; V1224-A1228 PolarHBondContact O-N 2.98Å |
| 1225 | L | 68.5 | Low | 65 | Low | 10.6 Ų | 10.6 | 58.8 Ų | 58.8 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 176.9 | -139.8 | 158 | 0 | 0 | 0 | 112.3 | I1202 E1221 I1222 A1223 S1227 A1228 C1229 Y1236 F1237 V1240 L1257 L1260 | I1202-L1225 HydrophobicContact CD1-CD2 4.19Å; E1221-L1225 WeakPolarHBondContact O-CB 3.36Å; E1221-L1225 WeakPolarHBondContact O-CG 3.29Å; E1221-L1225 PolarHBondContact O-N 3.13Å; I1222-L1225 WeakPolarHBondContact O-CB 3.43Å; I1222-L1225 PolarHBondContact O-N 3.06Å; A1223-L1225 VanDerWaalsContact C-N 3.35Å; L1225-S1227 VanDerWaalsContact C-N 3.29Å; L1225-S1227 PolarHBondContact O-N 3.3Å; L1225-A1228 PolarHBondContact O-N 3.08Å; L1225-A1228 VanDerWaalsContact O-N 3.14Å; L1225-C1229 WeakPolarHBondContact O-CB 3.12Å; L1225-C1229 PolarHBondContact O-N 3.04Å; L1225-C1229 VanDerWaalsContact O-N 3.15Å; L1225-C1229 PolarHBondContact O-SG 3.1Å; L1225-Y1236 HydrophobicContact CD2-CE1 4.01Å; L1225-F1237 HydrophobicContact CD2-CD1 4.04Å; L1225-F1237 HydrophobicContact CD2-CE1 3.79Å; L1225-V1240 HydrophobicContact CD1-CG1 4.09Å; L1225-V1240 HydrophobicContact CD2-CG1 4.26Å; L1225-L1257 HydrophobicContact CD1-CD2 3.59Å; L1225-L1257 HydrophobicContact CD2-CD2 4.07Å; L1225-L1257 HydrophobicContact CG-CD2 3.83Å; L1225-L1260 HydrophobicContact CD1-CB 4.2Å; L1225-L1260 HydrophobicContact CD1-CD1 3.59Å; L1225-L1260 VanDerWaalsContact CD1-CD1 3.41Å; L1225-L1260 HydrophobicContact CD1-CG 4.37Å; L1225-L1260 HydrophobicContact CD2-CB 4.49Å; L1225-L1260 HydrophobicContact CD2-CD1 3.58Å; L1225-L1260 VanDerWaalsContact CD2-CD1 3.42Å |
| 1226 | I | 69.6 | Low | 65.8 | Low | 22.8 Ų | 22.8 | 56.2 Ų | 56.2 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 176 | -66.6 | 165.7 | 0 | 0 | 0 | 110.9 | C1198 R1199 I1202 I1222 A1223 V1224 A1228 C1229 F1237 | C1198-I1226 HydrophobicContact CB-CD1 4.06Å; C1198-I1226 HydrophobicContact CB-CG1 4.08Å; C1198-I1226 HydrophobicContact CB-CG2 4.37Å; R1199-I1226 HydrophobicContact CB-CD1 3.98Å; I1202-I1226 HydrophobicContact CD1-CD1 4.3Å; I1202-I1226 HydrophobicContact CD1-CG1 4.09Å; I1222-I1226 HydrophobicContact CG2-CD1 3.82Å; I1222-I1226 HydrophobicContact CG2-CG1 4.44Å; I1222-I1226 VanDerWaalsContact O-CG1 3.28Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.35Å; I1222-I1226 PolarHBondContact O-N 3.11Å; A1223-I1226 PolarHBondContact O-N 3.19Å; V1224-I1226 PolarHBondContact O-N 2.94Å; I1226-A1228 VanDerWaalsContact C-N 3.35Å; I1226-C1229 PolarHBondContact O-N 2.9Å; I1226-F1237 HydrophobicContact CG1-CE1 4.22Å; I1226-F1237 HydrophobicContact CG1-CZ 4.4Å |
| 1227 | S | 69.3 | Low | 66.6 | Low | 97 Ų | 97 | 51.9 Ų | 51.9 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -74.9 | -24.8 | 178.1 | 74 | 0 | 0 | 0 | 0 | 114.4 | A1223 V1224 L1225 | A1223-S1227 WeakPolarHBondContact O-CB 3.15Å; A1223-S1227 PolarHBondContact O-N 3.31Å; A1223-S1227 PolarHBondContact O-OG 3.22Å; V1224-S1227 WeakPolarHBondContact CA-OG 3.36Å; V1224-S1227 CarbonylContact O-C 3.55Å; V1224-S1227 PolarHBondContact O-N 3.17Å; V1224-S1227 VanDerWaalsContact O-N 3.13Å; V1224-S1227 PolarHBondContact O-OG 3.24Å; L1225-S1227 VanDerWaalsContact C-N 3.29Å; L1225-S1227 PolarHBondContact O-N 3.3Å |
| 1228 | A | 65.2 | Low | 67.2 | Low | 50.2 Ų | 50.2 | 49 Ų | 49 | 42% | 0.415 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -87.5 | -17.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1224 L1225 I1226 E1230 G1262 | V1224-A1228 WeakPolarHBondContact O-CB 3.36Å; V1224-A1228 PolarHBondContact O-N 2.98Å; L1225-A1228 PolarHBondContact O-N 3.08Å; L1225-A1228 VanDerWaalsContact O-N 3.14Å; I1226-A1228 VanDerWaalsContact C-N 3.35Å; A1228-E1230 PolarHBondContact O-N 3.16Å; A1228-G1262 VanDerWaalsContact O-CA 3.31Å; A1228-G1262 WeakPolarHBondContact O-CA 3.36Å |
| 1229 | C | 66.1 | Low | 67.6 | Low | 11.4 Ų | 11.4 | 48.3 Ų | 48.3 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | trans | -77.3 | 116.3 | 179 | -104.3 | 0 | 0 | 0 | 0 | 111.4 | L1225 I1226 S1231 Y1236 F1237 | L1225-C1229 WeakPolarHBondContact O-CB 3.12Å; L1225-C1229 PolarHBondContact O-N 3.04Å; L1225-C1229 VanDerWaalsContact O-N 3.15Å; L1225-C1229 PolarHBondContact O-SG 3.1Å; I1226-C1229 PolarHBondContact O-N 2.9Å; C1229-S1231 VanDerWaalsContact C-N 3.3Å; C1229-S1231 PolarHBondContact O-N 3.22Å; C1229-S1231 PolarHBondContact SG-O 3.08Å; C1229-Y1236 HydrophobicContact CB-CD1 4.48Å; C1229-Y1236 HydrophobicContact CB-CE1 4.3Å; C1229-Y1236 VanDerWaalsContact SG-CD1 3.55Å; C1229-Y1236 WeakPolarHBondContact SG-CD1 3.33Å; C1229-Y1236 WeakPolarHBondContact SG-CE1 3.4Å; C1229-Y1236 VanDerWaalsContact SG-CZ 3.55Å; C1229-F1237 HydrophobicContact CB-CE1 4.41Å; C1229-F1237 HydrophobicContact CB-CZ 4.21Å; C1229-F1237 VanDerWaalsContact SG-CE1 3.56Å | ||
| 1230 | E | 60.6 | Low | 67.9 | Low | 167 Ų | 167 | 44.7 Ų | 44.7 | 78% | 0.78 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -69.6 | -22.1 | 179.9 | -68.4 | -172.7 | 155.3 | 0 | 0 | 113.6 | A1228 G1262 T1263 | A1228-E1230 PolarHBondContact O-N 3.16Å; E1230-G1262 PolarHBondContact N-O 3.14Å; E1230-T1263 HydrophobicContact CB-CG2 4.46Å; E1230-T1263 HydrophobicContact CG-CG2 4.19Å; E1230-T1263 WeakPolarHBondContact OE2-CG2 3.2Å |
| 1231 | S | 59.8 | Low | 68 | Low | 42.6 Ų | 42.6 | 36.6 Ų | 36.6 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -123.7 | 36.3 | -172.8 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | Q1192 C1229 N1233 | Q1192-S1231 PolarHBondContact NE2-O 3.47Å; C1229-S1231 VanDerWaalsContact C-N 3.3Å; C1229-S1231 PolarHBondContact O-N 3.22Å; C1229-S1231 PolarHBondContact SG-O 3.08Å; S1231-N1233 WeakPolarHBondContact CB-ND2 3.39Å; S1231-N1233 WeakPolarHBondContact O-CB 3.24Å; S1231-N1233 PolarHBondContact O-N 3.3Å; S1231-N1233 VanDerWaalsContact O-N 3.08Å; S1231-N1233 PolarHBondContact O-OD1 3.43Å; S1231-N1233 WeakPolarHBondContact OG-CB 3.36Å; S1231-N1233 PolarHBondContact OG-ND2 3.26Å |
| 1232 | N | 67.5 | Low | 68 | Low | 40.6 Ų | 40.6 | 36.4 Ų | 36.4 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | trans | 3.6 | 46.8 | -178.8 | -79.1 | -21.1 | 0 | 0 | 0 | 112.2 | Q1192 L1193 P1234 F1237 | Q1192-N1232 HydrophobicContact CB-CB 4.4Å; L1193-N1232 HydrophobicContact CB-CB 4.4Å; L1193-N1232 PolarHBondContact N-O 3.17Å; L1193-N1232 VanDerWaalsContact O-CB 3.29Å; L1193-N1232 WeakPolarHBondContact O-CB 3.42Å; L1193-N1232 PolarHBondContact O-ND2 2.94Å; N1232-P1234 WeakPolarHBondContact O-CD 3.47Å; N1232-F1237 HydrophobicContact CB-CE2 4.36Å | ||
| 1233 | N | 69.7 | Low | 67.9 | Low | 23.2 Ų | 23.2 | 36.8 Ų | 36.8 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | trans | -88.7 | 121.8 | -169.9 | -151.7 | -13 | 0 | 0 | 0 | 110.3 | P992 G993 S994 S1231 S1235 Y1236 F1237 | P992-N1233 PolarHBondContact O-ND2 3.09Å; P992-N1233 PolarHBondContact O-OD1 3.08Å; G993-N1233 WeakPolarHBondContact CA-OD1 3.46Å; G993-N1233 PolarHBondContact O-OD1 3.18Å; G993-N1233 VanDerWaalsContact O-OD1 3.08Å; S994-N1233 PolarHBondContact N-OD1 3.19Å; S1231-N1233 WeakPolarHBondContact CB-ND2 3.39Å; S1231-N1233 WeakPolarHBondContact O-CB 3.24Å; S1231-N1233 PolarHBondContact O-N 3.3Å; S1231-N1233 VanDerWaalsContact O-N 3.08Å; S1231-N1233 PolarHBondContact O-OD1 3.43Å; S1231-N1233 WeakPolarHBondContact OG-CB 3.36Å; S1231-N1233 PolarHBondContact OG-ND2 3.26Å; N1233-S1235 VanDerWaalsContact C-N 3.29Å; N1233-S1235 PolarHBondContact ND2-OG 2.99Å; N1233-S1235 PolarHBondContact O-N 3.11Å; N1233-S1235 VanDerWaalsContact O-N 3.14Å; N1233-S1235 PolarHBondContact OD1-N 3.07Å; N1233-S1235 PolarHBondContact OD1-OG 3.21Å; N1233-Y1236 WeakPolarHBondContact O-CB 3.35Å; N1233-Y1236 PolarHBondContact O-N 3.2Å; N1233-Y1236 VanDerWaalsContact O-N 3.13Å; N1233-F1237 VanDerWaalsContact O-CD2 3.25Å; N1233-F1237 WeakPolarHBondContact O-CD2 3.42Å; N1233-F1237 PolarHBondContact O-N 3.16Å | ||
| 1234 | P | 69.9 | Low | 67.7 | Low | 45.4 Ų | 45.4 | 35.1 Ų | 35.1 | 30% | 0.295 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.5 | -36.2 | 179.5 | -8.9 | 7.9 | 0 | 0 | 0 | 113.9 | G993 L1193 N1232 Y1236 F1237 Y1238 | G993-P1234 WeakPolarHBondContact O-CD 3.24Å; L1193-P1234 HydrophobicContact CD1-CB 4.15Å; L1193-P1234 HydrophobicContact CD1-CG 3.74Å; L1193-P1234 HydrophobicContact CG-CG 4.19Å; N1232-P1234 WeakPolarHBondContact O-CD 3.47Å; P1234-Y1236 VanDerWaalsContact C-N 3.3Å; P1234-Y1236 PolarHBondContact O-N 2.98Å; P1234-F1237 PolarHBondContact O-N 3.38Å; P1234-Y1238 WeakPolarHBondContact O-CB 3.37Å; P1234-Y1238 PolarHBondContact O-N 3.13Å; P1234-Y1238 VanDerWaalsContact O-N 3.09Å |
| 1235 | S | 68 | Low | 67.5 | Low | 23.4 Ų | 23.4 | 35.2 Ų | 35.2 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.7 | 76 | 0 | 0 | 0 | 0 | 113.2 | G993 N1233 Y1238 M1239 I1264 | G993-S1235 WeakPolarHBondContact CA-OG 3.4Å; N1233-S1235 VanDerWaalsContact C-N 3.29Å; N1233-S1235 PolarHBondContact ND2-OG 2.99Å; N1233-S1235 PolarHBondContact O-N 3.11Å; N1233-S1235 VanDerWaalsContact O-N 3.14Å; N1233-S1235 PolarHBondContact OD1-N 3.07Å; N1233-S1235 PolarHBondContact OD1-OG 3.21Å; S1235-Y1238 WeakPolarHBondContact O-CB 3.38Å; S1235-Y1238 PolarHBondContact O-N 3.08Å; S1235-M1239 WeakPolarHBondContact O-CB 3.35Å; S1235-M1239 PolarHBondContact O-N 3.01Å; S1235-M1239 VanDerWaalsContact O-N 3.14Å; S1235-I1264 WeakPolarHBondContact OG-CD1 3.44Å |
| 1236 | Y | 72.4 | Confident | 67.1 | Low | 2.8 Ų | 2.8 | 36.6 Ų | 36.6 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 176.1 | 173 | -89 | 0 | 0 | 0 | 110.5 | L1225 C1229 N1233 P1234 Y1238 M1239 V1240 S1261 I1264 L1267 | L1225-Y1236 HydrophobicContact CD2-CE1 4.01Å; C1229-Y1236 HydrophobicContact CB-CD1 4.48Å; C1229-Y1236 HydrophobicContact CB-CE1 4.3Å; C1229-Y1236 VanDerWaalsContact SG-CD1 3.55Å; C1229-Y1236 WeakPolarHBondContact SG-CD1 3.33Å; C1229-Y1236 WeakPolarHBondContact SG-CE1 3.4Å; C1229-Y1236 VanDerWaalsContact SG-CZ 3.55Å; N1233-Y1236 WeakPolarHBondContact O-CB 3.35Å; N1233-Y1236 PolarHBondContact O-N 3.2Å; N1233-Y1236 VanDerWaalsContact O-N 3.13Å; P1234-Y1236 VanDerWaalsContact C-N 3.3Å; P1234-Y1236 PolarHBondContact O-N 2.98Å; Y1236-Y1238 VanDerWaalsContact C-N 3.31Å; Y1236-Y1238 PolarHBondContact O-N 2.97Å; Y1236-M1239 PolarHBondContact O-N 3.09Å; Y1236-M1239 VanDerWaalsContact O-N 3.12Å; Y1236-V1240 HydrophobicContact CD1-CG2 4.01Å; Y1236-V1240 HydrophobicContact CD2-CG2 4.45Å; Y1236-V1240 HydrophobicContact CE1-CG2 3.49Å; Y1236-V1240 VanDerWaalsContact CE1-CG2 3.42Å; Y1236-V1240 HydrophobicContact CE2-CG2 4.17Å; Y1236-V1240 HydrophobicContact CG-CG2 4.47Å; Y1236-V1240 VanDerWaalsContact CZ-CG2 3.47Å; Y1236-V1240 VanDerWaalsContact O-CG2 3.32Å; Y1236-V1240 WeakPolarHBondContact O-CG2 3.37Å; Y1236-V1240 PolarHBondContact O-N 3.11Å; Y1236-S1261 WeakPolarHBondContact CE2-O 3.16Å; Y1236-S1261 PolarHBondContact OH-O 3.14Å; Y1236-I1264 HydrophobicContact CD2-CG1 3.9Å; Y1236-I1264 HydrophobicContact CG-CG1 4.38Å; Y1236-L1267 HydrophobicContact CD2-CD1 4.24Å; Y1236-L1267 HydrophobicContact CD2-CD2 4.28Å; Y1236-L1267 HydrophobicContact CE2-CB 4.33Å; Y1236-L1267 HydrophobicContact CE2-CD1 3.62Å; Y1236-L1267 HydrophobicContact CE2-CD2 3.94Å; Y1236-L1267 HydrophobicContact CE2-CG 4.48Å |
| 1237 | F | 71 | Confident | 66.7 | Low | 1.6 Ų | 1.6 | 36.4 Ų | 36.4 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | 178.6 | -64.2 | -61 | 0 | 0 | 0 | 112.2 | L1193 C1198 V1201 I1202 L1225 I1226 C1229 N1232 N1233 P1234 V1240 C1241 | L1193-F1237 HydrophobicContact CD1-CD2 4.31Å; C1198-F1237 HydrophobicContact CB-CD2 4.47Å; C1198-F1237 HydrophobicContact CB-CE1 4.34Å; C1198-F1237 HydrophobicContact CB-CE2 3.89Å; C1198-F1237 HydrophobicContact CB-CZ 3.92Å; C1198-F1237 WeakPolarHBondContact SG-CE2 3.23Å; V1201-F1237 HydrophobicContact CG1-CB 4.47Å; I1202-F1237 HydrophobicContact CD1-CD1 3.64Å; I1202-F1237 HydrophobicContact CD1-CE1 3.95Å; I1202-F1237 HydrophobicContact CD1-CG 4.32Å; I1202-F1237 HydrophobicContact CG1-CB 4.2Å; I1202-F1237 HydrophobicContact CG1-CD1 3.99Å; I1202-F1237 HydrophobicContact CG1-CG 4.24Å; L1225-F1237 HydrophobicContact CD2-CD1 4.04Å; L1225-F1237 HydrophobicContact CD2-CE1 3.79Å; I1226-F1237 HydrophobicContact CG1-CE1 4.22Å; I1226-F1237 HydrophobicContact CG1-CZ 4.4Å; C1229-F1237 HydrophobicContact CB-CE1 4.41Å; C1229-F1237 HydrophobicContact CB-CZ 4.21Å; C1229-F1237 VanDerWaalsContact SG-CE1 3.56Å; N1232-F1237 HydrophobicContact CB-CE2 4.36Å; N1233-F1237 VanDerWaalsContact O-CD2 3.25Å; N1233-F1237 WeakPolarHBondContact O-CD2 3.42Å; N1233-F1237 PolarHBondContact O-N 3.16Å; P1234-F1237 PolarHBondContact O-N 3.38Å; F1237-V1240 PolarHBondContact O-N 3.1Å; F1237-C1241 VanDerWaalsContact O-CB 3.29Å; F1237-C1241 WeakPolarHBondContact O-CB 3.31Å; F1237-C1241 PolarHBondContact O-N 2.91Å; F1237-C1241 PolarHBondContact O-SG 3.14Å |
| 1238 | Y | 68.7 | Low | 65.9 | Low | 71 Ų | 71 | 34.3 Ų | 34.3 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.7 | -175.2 | -107.1 | 0 | 0 | 0 | 111.8 | H1205 P1234 S1235 Y1236 V1240 C1241 K1242 D1339 I1388 L1439 | H1205-Y1238 AromaticContact CD2-CD2 3.75Å; H1205-Y1238 AromaticContact CD2-CE2 3.98Å; H1205-Y1238 AromaticContact CE1-CD2 3.86Å; H1205-Y1238 AromaticContact CE1-CE2 3.49Å; H1205-Y1238 VanDerWaalsContact CE1-CE2 3.43Å; H1205-Y1238 WeakPolarHBondContact CE1-CE2 3.38Å; H1205-Y1238 AromaticContact NE2-CD2 3.54Å; H1205-Y1238 WeakPolarHBondContact NE2-CD2 3.39Å; H1205-Y1238 AromaticContact NE2-CE2 3.26Å; H1205-Y1238 VanDerWaalsContact NE2-CE2 3.3Å; H1205-Y1238 WeakPolarHBondContact NE2-CE2 3.26Å; P1234-Y1238 WeakPolarHBondContact O-CB 3.37Å; P1234-Y1238 PolarHBondContact O-N 3.13Å; P1234-Y1238 VanDerWaalsContact O-N 3.09Å; S1235-Y1238 WeakPolarHBondContact O-CB 3.38Å; S1235-Y1238 PolarHBondContact O-N 3.08Å; Y1236-Y1238 VanDerWaalsContact C-N 3.31Å; Y1236-Y1238 PolarHBondContact O-N 2.97Å; Y1238-V1240 PolarHBondContact O-N 2.92Å; Y1238-C1241 WeakPolarHBondContact O-CB 3.2Å; Y1238-C1241 PolarHBondContact O-N 3.03Å; Y1238-K1242 HydrophobicContact CD1-CG 4.38Å; Y1238-K1242 HydrophobicContact CE1-CD 4.04Å; Y1238-K1242 HydrophobicContact CE1-CG 4.1Å; Y1238-K1242 HydrophobicContact CE2-CG 4.44Å; Y1238-K1242 VanDerWaalsContact CZ-CE 3.47Å; Y1238-K1242 WeakPolarHBondContact O-CB 3.42Å; Y1238-K1242 WeakPolarHBondContact O-CG 3.39Å; Y1238-K1242 PolarHBondContact O-N 3.1Å; Y1238-K1242 VanDerWaalsContact O-N 3.11Å; Y1238-K1242 VanDerWaalsContact OH-CE 3.31Å; Y1238-K1242 WeakPolarHBondContact OH-CE 3.37Å; Y1238-K1242 PolarHBondContact OH-NZ 3.31Å; Y1238-D1339 VanDerWaalsContact OH-CG 3.3Å; Y1238-D1339 PolarHBondContact OH-OD1 3.43Å; Y1238-D1339 PolarHBondContact OH-OD2 3.4Å; Y1238-I1388 HydrophobicContact CD1-CG2 3.98Å; Y1238-I1388 HydrophobicContact CE1-CG2 3.25Å; Y1238-I1388 WeakPolarHBondContact CE1-O 3.23Å; Y1238-L1439 HydrophobicContact CD1-CD1 3.83Å; Y1238-L1439 HydrophobicContact CD1-CD2 3.82Å; Y1238-L1439 HydrophobicContact CD1-CG 3.96Å; Y1238-L1439 HydrophobicContact CE1-CD1 3.59Å; Y1238-L1439 HydrophobicContact CE1-CD2 3.71Å; Y1238-L1439 HydrophobicContact CE1-CG 4.01Å |
| 1239 | M | 68.3 | Low | 65.5 | Low | 6.4 Ų | 6.4 | 35 Ų | 35 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.2 | -134.5 | -175.1 | -64.9 | 0 | 0 | 112.5 | S1235 Y1236 C1241 K1242 Y1243 I1264 L1267 I1268 I1271 N1353 P1385 L1386 L1439 I1443 | S1235-M1239 WeakPolarHBondContact O-CB 3.35Å; S1235-M1239 PolarHBondContact O-N 3.01Å; S1235-M1239 VanDerWaalsContact O-N 3.14Å; Y1236-M1239 PolarHBondContact O-N 3.09Å; Y1236-M1239 VanDerWaalsContact O-N 3.12Å; M1239-C1241 VanDerWaalsContact C-N 3.33Å; M1239-C1241 PolarHBondContact O-N 3.07Å; M1239-K1242 PolarHBondContact O-N 3.15Å; M1239-Y1243 WeakPolarHBondContact O-CB 3.39Å; M1239-Y1243 PolarHBondContact O-N 3.17Å; M1239-I1264 HydrophobicContact CE-CB 4.36Å; M1239-I1264 HydrophobicContact CE-CD1 4.44Å; M1239-I1264 HydrophobicContact CE-CG1 4.33Å; M1239-I1264 HydrophobicContact CE-CG2 3.68Å; M1239-I1264 VanDerWaalsContact CE-CG2 3.47Å; M1239-I1264 HydrophobicContact SD-CG2 4.45Å; M1239-L1267 HydrophobicContact CB-CD2 4.27Å; M1239-L1267 HydrophobicContact CE-CB 3.78Å; M1239-L1267 HydrophobicContact CE-CD1 3.94Å; M1239-L1267 HydrophobicContact CE-CD2 3.89Å; M1239-L1267 HydrophobicContact CE-CG 3.82Å; M1239-L1267 HydrophobicContact CG-CD2 4.02Å; M1239-L1267 HydrophobicContact SD-CD2 3.77Å; M1239-I1268 HydrophobicContact CE-CD1 4.24Å; M1239-I1268 HydrophobicContact CE-CG1 4.1Å; M1239-I1268 HydrophobicContact SD-CG1 4.32Å; M1239-I1271 HydrophobicContact CE-CD1 4.05Å; M1239-I1271 HydrophobicContact SD-CD1 4.48Å; M1239-N1353 HydrophobicContact CE-CB 4.34Å; M1239-P1385 VanDerWaalsContact CE-O 3.31Å; M1239-P1385 WeakPolarHBondContact CE-O 3.14Å; M1239-L1386 HydrophobicContact CE-CD2 3.93Å; M1239-L1386 HydrophobicContact SD-CD2 4.1Å; M1239-L1439 HydrophobicContact CG-CD1 3.95Å; M1239-L1439 HydrophobicContact SD-CD1 4.35Å; M1239-I1443 HydrophobicContact CE-CD1 4.09Å; M1239-I1443 HydrophobicContact CE-CG1 4.23Å; M1239-I1443 HydrophobicContact CG-CD1 4.42Å; M1239-I1443 HydrophobicContact SD-CD1 4Å; M1239-I1443 HydrophobicContact SD-CG1 4.39Å |
| 1240 | V | 71.3 | Confident | 65.1 | Low | 2.4 Ų | 2.4 | 39.5 Ų | 39.5 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 172.8 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | L1225 Y1236 F1237 Y1238 K1242 Y1243 L1244 L1260 L1267 | L1225-V1240 HydrophobicContact CD1-CG1 4.09Å; L1225-V1240 HydrophobicContact CD2-CG1 4.26Å; Y1236-V1240 HydrophobicContact CD1-CG2 4.01Å; Y1236-V1240 HydrophobicContact CD2-CG2 4.45Å; Y1236-V1240 HydrophobicContact CE1-CG2 3.49Å; Y1236-V1240 VanDerWaalsContact CE1-CG2 3.42Å; Y1236-V1240 HydrophobicContact CE2-CG2 4.17Å; Y1236-V1240 HydrophobicContact CG-CG2 4.47Å; Y1236-V1240 VanDerWaalsContact CZ-CG2 3.47Å; Y1236-V1240 VanDerWaalsContact O-CG2 3.32Å; Y1236-V1240 WeakPolarHBondContact O-CG2 3.37Å; Y1236-V1240 PolarHBondContact O-N 3.11Å; F1237-V1240 PolarHBondContact O-N 3.1Å; Y1238-V1240 PolarHBondContact O-N 2.92Å; V1240-K1242 VanDerWaalsContact C-N 3.29Å; V1240-K1242 PolarHBondContact O-N 3.16Å; V1240-K1242 VanDerWaalsContact O-N 3.1Å; V1240-Y1243 WeakPolarHBondContact O-CB 3.32Å; V1240-Y1243 PolarHBondContact O-N 3.06Å; V1240-Y1243 VanDerWaalsContact O-N 3.15Å; V1240-L1244 HydrophobicContact CG1-CD1 3.81Å; V1240-L1244 HydrophobicContact CG1-CG 4.26Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 VanDerWaalsContact O-CG 3.28Å; V1240-L1244 WeakPolarHBondContact O-CG 3.34Å; V1240-L1244 PolarHBondContact O-N 3.29Å; V1240-L1260 HydrophobicContact CG1-CD1 3.83Å; V1240-L1260 HydrophobicContact CG2-CD1 4.25Å; V1240-L1260 HydrophobicContact CG2-CD2 4.41Å; V1240-L1267 HydrophobicContact CB-CD1 4.43Å; V1240-L1267 HydrophobicContact CB-CD2 4.39Å; V1240-L1267 HydrophobicContact CG2-CD1 3.37Å; V1240-L1267 VanDerWaalsContact CG2-CD1 3.41Å; V1240-L1267 HydrophobicContact CG2-CD2 3.4Å; V1240-L1267 VanDerWaalsContact CG2-CD2 3.4Å |
| 1241 | C | 68.5 | Low | 65.1 | Low | 3.4 Ų | 3.4 | 37.5 Ų | 37.5 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -37.4 | -179.6 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | H1205 F1237 Y1238 M1239 Y1243 L1244 Q1245 | H1205-C1241 HydrophobicContact CB-CB 4.02Å; H1205-C1241 VanDerWaalsContact CD2-CB 3.48Å; H1205-C1241 WeakPolarHBondContact CD2-CB 3.11Å; F1237-C1241 VanDerWaalsContact O-CB 3.29Å; F1237-C1241 WeakPolarHBondContact O-CB 3.31Å; F1237-C1241 PolarHBondContact O-N 2.91Å; F1237-C1241 PolarHBondContact O-SG 3.14Å; Y1238-C1241 WeakPolarHBondContact O-CB 3.2Å; Y1238-C1241 PolarHBondContact O-N 3.03Å; M1239-C1241 VanDerWaalsContact C-N 3.33Å; M1239-C1241 PolarHBondContact O-N 3.07Å; C1241-Y1243 VanDerWaalsContact C-N 3.35Å; C1241-L1244 PolarHBondContact O-N 3.38Å; C1241-Q1245 VanDerWaalsContact O-CG 3.27Å; C1241-Q1245 WeakPolarHBondContact O-CG 3.37Å; C1241-Q1245 PolarHBondContact O-N 3.11Å; C1241-Q1245 VanDerWaalsContact O-N 3.13Å; C1241-Q1245 PolarHBondContact O-NE2 3.33Å |
| 1242 | K | 65.6 | Low | 65.2 | Low | 20.6 Ų | 20.6 | 39.2 Ų | 39.2 | 9% | 0.09 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.9 | -35.5 | 174.7 | -72.8 | -81.6 | -172 | -178 | 0 | 113.4 | H1205 N1209 Y1238 M1239 V1240 L1244 Q1245 I1336 D1339 H1384 P1385 I1388 | H1205-K1242 WeakPolarHBondContact NE2-CD 3.47Å; H1205-K1242 WeakPolarHBondContact NE2-CE 3.38Å; H1205-K1242 PolarHBondContact NE2-NZ 2.94Å; N1209-K1242 PolarHBondContact OD1-NZ 3.02Å; Y1238-K1242 HydrophobicContact CD1-CG 4.38Å; Y1238-K1242 HydrophobicContact CE1-CD 4.04Å; Y1238-K1242 HydrophobicContact CE1-CG 4.1Å; Y1238-K1242 HydrophobicContact CE2-CG 4.44Å; Y1238-K1242 VanDerWaalsContact CZ-CE 3.47Å; Y1238-K1242 WeakPolarHBondContact O-CB 3.42Å; Y1238-K1242 WeakPolarHBondContact O-CG 3.39Å; Y1238-K1242 PolarHBondContact O-N 3.1Å; Y1238-K1242 VanDerWaalsContact O-N 3.11Å; Y1238-K1242 VanDerWaalsContact OH-CE 3.31Å; Y1238-K1242 WeakPolarHBondContact OH-CE 3.37Å; Y1238-K1242 PolarHBondContact OH-NZ 3.31Å; M1239-K1242 PolarHBondContact O-N 3.15Å; V1240-K1242 VanDerWaalsContact C-N 3.29Å; V1240-K1242 PolarHBondContact O-N 3.16Å; V1240-K1242 VanDerWaalsContact O-N 3.1Å; K1242-L1244 VanDerWaalsContact C-N 3.31Å; K1242-L1244 PolarHBondContact O-N 3.09Å; K1242-Q1245 VanDerWaalsContact CD-CD 3.41Å; K1242-Q1245 HydrophobicContact CD-CG 4.26Å; K1242-Q1245 VanDerWaalsContact CD-OE1 3.25Å; K1242-Q1245 VanDerWaalsContact O-CB 3.3Å; K1242-Q1245 WeakPolarHBondContact O-CB 3.39Å; K1242-Q1245 PolarHBondContact O-N 2.94Å; K1242-Q1245 VanDerWaalsContact O-N 3.09Å; K1242-I1336 HydrophobicContact CB-CG2 3.68Å; K1242-I1336 WeakPolarHBondContact CD-O 3.46Å; K1242-D1339 VanDerWaalsContact CE-OD1 3.27Å; K1242-D1339 WeakPolarHBondContact CE-OD1 3.38Å; K1242-D1339 IonicContact NZ-OD1 3.7Å; K1242-D1339 PolarHBondContact NZ-OD1 3.21Å; K1242-D1339 IonicContact NZ-OD2 3.52Å; K1242-D1339 PolarHBondContact NZ-OD2 3.05Å; K1242-H1384 PolarHBondContact NZ-CE1 3.12Å; K1242-P1385 HydrophobicContact CB-CB 4.21Å; K1242-I1388 HydrophobicContact CB-CB 4.48Å; K1242-I1388 HydrophobicContact CB-CD1 3.75Å; K1242-I1388 HydrophobicContact CB-CG2 3.93Å; K1242-I1388 HydrophobicContact CD-CD1 3.98Å; K1242-I1388 HydrophobicContact CD-CG2 3.87Å; K1242-I1388 HydrophobicContact CG-CD1 4.17Å; K1242-I1388 HydrophobicContact CG-CG2 3.51Å |
| 1243 | Y | 67.4 | Low | 65 | Low | 15 Ų | 15 | 38 Ų | 38 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 173.7 | -179.9 | -107.1 | 0 | 0 | 0 | 111.5 | M1239 V1240 C1241 Q1245 L1246 H1256 L1260 L1267 I1271 N1274 I1336 P1385 | M1239-Y1243 WeakPolarHBondContact O-CB 3.39Å; M1239-Y1243 PolarHBondContact O-N 3.17Å; V1240-Y1243 WeakPolarHBondContact O-CB 3.32Å; V1240-Y1243 PolarHBondContact O-N 3.06Å; V1240-Y1243 VanDerWaalsContact O-N 3.15Å; C1241-Y1243 VanDerWaalsContact C-N 3.35Å; Y1243-Q1245 PolarHBondContact O-N 3.08Å; Y1243-L1246 HydrophobicContact CD2-CD1 4.43Å; Y1243-L1246 WeakPolarHBondContact O-CB 3.35Å; Y1243-L1246 PolarHBondContact O-N 3.23Å; Y1243-H1256 HydrophobicContact CE1-CB 4.13Å; Y1243-H1256 AromaticContact CE1-CD2 3.64Å; Y1243-H1256 VanDerWaalsContact CE1-CD2 3.43Å; Y1243-H1256 WeakPolarHBondContact CE1-CD2 3.4Å; Y1243-H1256 AromaticContact CE1-CG 3.91Å; Y1243-H1256 AromaticContact CE1-ND1 3.62Å; Y1243-H1256 AromaticContact CZ-CD2 3.69Å; Y1243-H1256 AromaticContact CZ-ND1 3.74Å; Y1243-H1256 PolarHBondContact OH-CD2 3.22Å; Y1243-H1256 VanDerWaalsContact OH-CD2 3.24Å; Y1243-H1256 PolarHBondContact OH-CE1 3.1Å; Y1243-H1256 PolarHBondContact OH-ND1 3.44Å; Y1243-H1256 PolarHBondContact OH-NE2 2.74Å; Y1243-H1256 VanDerWaalsContact OH-NE2 3.17Å; Y1243-L1260 HydrophobicContact CD1-CD2 3.99Å; Y1243-L1260 HydrophobicContact CE1-CD2 4.16Å; Y1243-L1267 HydrophobicContact CD1-CD1 4.42Å; Y1243-I1271 HydrophobicContact CD2-CD1 4.1Å; Y1243-I1271 HydrophobicContact CD2-CG1 3.62Å; Y1243-I1271 HydrophobicContact CE2-CG1 3.77Å; Y1243-I1271 HydrophobicContact CG-CG1 4.35Å; Y1243-N1274 PolarHBondContact OH-ND2 3.02Å; Y1243-I1336 HydrophobicContact CD2-CD1 3.86Å; Y1243-P1385 HydrophobicContact CD2-CB 4.37Å; Y1243-P1385 HydrophobicContact CD2-CG 4.29Å |
| 1244 | L | 66.4 | Low | 64.6 | Low | 17.4 Ų | 17.4 | 40.4 Ų | 40.4 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -20.1 | 175.4 | -65.1 | 174.7 | 0 | 0 | 0 | 113.1 | L1206 V1240 C1241 K1242 L1246 C1247 V1253 H1256 L1257 L1260 | L1206-L1244 HydrophobicContact CD2-CB 4.41Å; L1206-L1244 HydrophobicContact CD2-CD1 4.33Å; V1240-L1244 HydrophobicContact CG1-CD1 3.81Å; V1240-L1244 HydrophobicContact CG1-CG 4.26Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 VanDerWaalsContact O-CG 3.28Å; V1240-L1244 WeakPolarHBondContact O-CG 3.34Å; V1240-L1244 PolarHBondContact O-N 3.29Å; C1241-L1244 PolarHBondContact O-N 3.38Å; K1242-L1244 VanDerWaalsContact C-N 3.31Å; K1242-L1244 PolarHBondContact O-N 3.09Å; L1244-L1246 PolarHBondContact O-N 3.3Å; L1244-C1247 WeakPolarHBondContact O-CB 3.36Å; L1244-C1247 PolarHBondContact O-N 3.21Å; L1244-V1253 HydrophobicContact CD2-CG1 4.26Å; L1244-H1256 HydrophobicContact CD2-CB 4.17Å; L1244-L1257 HydrophobicContact CD1-CD2 3.84Å; L1244-L1257 HydrophobicContact CD1-CG 4.24Å; L1244-L1257 HydrophobicContact CD2-CD2 4.26Å; L1244-L1257 HydrophobicContact CD2-CG 4.15Å; L1244-L1260 HydrophobicContact CD2-CD1 4.39Å |
| 1245 | Q | 63.9 | Low | 64.5 | Low | 64.4 Ų | 64.4 | 40.9 Ų | 40.9 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.1 | 171.1 | -71.4 | 174.8 | -8.8 | 0 | 0 | 113.5 | H1205 N1209 C1241 K1242 Y1243 C1247 | H1205-Q1245 PolarHBondContact NE2-NE2 3.26Å; H1205-Q1245 VanDerWaalsContact NE2-NE2 3.18Å; N1209-Q1245 HydrophobicContact CB-CG 4.34Å; N1209-Q1245 WeakPolarHBondContact ND2-CG 3.28Å; N1209-Q1245 PolarHBondContact ND2-NE2 3.1Å; N1209-Q1245 VanDerWaalsContact ND2-NE2 3.17Å; N1209-Q1245 WeakPolarHBondContact OD1-CG 3.19Å; N1209-Q1245 PolarHBondContact OD1-NE2 3.07Å; C1241-Q1245 VanDerWaalsContact O-CG 3.27Å; C1241-Q1245 WeakPolarHBondContact O-CG 3.37Å; C1241-Q1245 PolarHBondContact O-N 3.11Å; C1241-Q1245 VanDerWaalsContact O-N 3.13Å; C1241-Q1245 PolarHBondContact O-NE2 3.33Å; K1242-Q1245 VanDerWaalsContact CD-CD 3.41Å; K1242-Q1245 HydrophobicContact CD-CG 4.26Å; K1242-Q1245 VanDerWaalsContact CD-OE1 3.25Å; K1242-Q1245 VanDerWaalsContact O-CB 3.3Å; K1242-Q1245 WeakPolarHBondContact O-CB 3.39Å; K1242-Q1245 PolarHBondContact O-N 2.94Å; K1242-Q1245 VanDerWaalsContact O-N 3.09Å; Y1243-Q1245 PolarHBondContact O-N 3.08Å; Q1245-C1247 VanDerWaalsContact C-N 3.32Å |
| 1246 | L | 59.7 | Low | 64.4 | Low | 39.8 Ų | 39.8 | 41.8 Ų | 41.8 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17 | 179 | -63.8 | -179.7 | 0 | 0 | 0 | 113.8 | Y1243 L1244 G1248 K1332 M1333 I1336 S1381 R1382 P1385 | Y1243-L1246 HydrophobicContact CD2-CD1 4.43Å; Y1243-L1246 WeakPolarHBondContact O-CB 3.35Å; Y1243-L1246 PolarHBondContact O-N 3.23Å; L1244-L1246 PolarHBondContact O-N 3.3Å; L1246-G1248 PolarHBondContact O-N 3.26Å; L1246-K1332 HydrophobicContact CD2-CB 3.66Å; L1246-K1332 WeakPolarHBondContact CD2-O 3.46Å; L1246-M1333 HydrophobicContact CD1-CB 4.23Å; L1246-M1333 HydrophobicContact CD1-CG 3.76Å; L1246-M1333 HydrophobicContact CD1-SD 4.14Å; L1246-I1336 HydrophobicContact CD1-CD1 3.17Å; L1246-I1336 HydrophobicContact CD1-CG1 3.24Å; L1246-I1336 HydrophobicContact CD2-CG1 4.46Å; L1246-I1336 HydrophobicContact CG-CD1 4.27Å; L1246-I1336 HydrophobicContact CG-CG1 3.85Å; L1246-S1381 VanDerWaalsContact CD2-O 3.31Å; L1246-S1381 WeakPolarHBondContact CD2-O 3.4Å; L1246-R1382 PolarHBondContact O-NH1 3.36Å; L1246-P1385 HydrophobicContact CD1-CG 3.47Å; L1246-P1385 VanDerWaalsContact CD1-CG 3.46Å; L1246-P1385 HydrophobicContact CD2-CG 4.46Å; L1246-P1385 HydrophobicContact CG-CG 4.05Å |
| 1247 | C | 60.3 | Low | 64.1 | Low | 19.2 Ų | 19.2 | 42.5 Ų | 42.5 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | trans | -76.8 | 124.1 | 178.6 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | L1244 Q1245 T1249 E1252 V1253 H1256 | L1244-C1247 WeakPolarHBondContact O-CB 3.36Å; L1244-C1247 PolarHBondContact O-N 3.21Å; Q1245-C1247 VanDerWaalsContact C-N 3.32Å; C1247-T1249 VanDerWaalsContact C-N 3.35Å; C1247-E1252 WeakPolarHBondContact CA-OE2 3.3Å; C1247-E1252 HydrophobicContact CB-CB 3.89Å; C1247-V1253 HydrophobicContact CB-CB 4.4Å; C1247-V1253 HydrophobicContact CB-CG2 3.56Å; C1247-V1253 VanDerWaalsContact CB-CG2 3.44Å; C1247-H1256 PolarHBondContact SG-CD2 3.1Å; C1247-H1256 PolarHBondContact SG-ND1 3.09Å | ||
| 1248 | G | 53.6 | Low | 63.9 | Low | 52.2 Ų | 52.2 | 49.9 Ų | 49.9 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | trans | -82.4 | -23.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P714 L1246 E1252 | P714-G1248 WeakPolarHBondContact CG-O 3.28Å; L1246-G1248 PolarHBondContact O-N 3.26Å; G1248-E1252 PolarHBondContact N-OE2 3.06Å | ||
| 1249 | T | 56 | Low | 63.7 | Low | 64.2 Ų | 64.2 | 51.8 Ų | 51.8 | 39% | 0.394 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -125.1 | 152.8 | -174.6 | 65.3 | 0 | 0 | 0 | 0 | 113 | C1247 D1251 E1252 V1253 | C1247-T1249 VanDerWaalsContact C-N 3.35Å; T1249-D1251 VanDerWaalsContact C-N 3.26Å; T1249-D1251 PolarHBondContact O-N 3.11Å; T1249-E1252 WeakPolarHBondContact CG2-OE1 3.36Å; T1249-E1252 PolarHBondContact N-OE2 3.49Å; T1249-E1252 WeakPolarHBondContact O-CB 3.28Å; T1249-E1252 PolarHBondContact O-N 3.02Å; T1249-E1252 VanDerWaalsContact O-N 3.16Å; T1249-E1252 WeakPolarHBondContact OG1-CB 3.35Å; T1249-E1252 VanDerWaalsContact OG1-CD 3.26Å; T1249-E1252 VanDerWaalsContact OG1-CG 3.27Å; T1249-E1252 WeakPolarHBondContact OG1-CG 3.36Å; T1249-E1252 PolarHBondContact OG1-N 3.17Å; T1249-E1252 PolarHBondContact OG1-OE1 3.22Å; T1249-V1253 WeakPolarHBondContact O-CG2 3.46Å; T1249-V1253 PolarHBondContact O-N 3.26Å; T1249-V1253 VanDerWaalsContact O-N 3.09Å |
| 1250 | H | 58.9 | Low | 63.7 | Low | 107.8 Ų | 107.8 | 52.6 Ų | 52.6 | 50% | 0.499 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 175.6 | -82.5 | -67.4 | 0 | 0 | 0 | 113 | C1213 E1252 V1253 K1254 | C1213-H1250 PolarHBondContact SG-CE1 3.1Å; C1213-H1250 PolarHBondContact SG-ND1 3.5Å; H1250-E1252 VanDerWaalsContact C-N 3.35Å; H1250-V1253 PolarHBondContact O-N 3.37Å; H1250-K1254 WeakPolarHBondContact O-CB 3.33Å; H1250-K1254 WeakPolarHBondContact O-CG 3Å; H1250-K1254 PolarHBondContact O-N 3.02Å |
| 1251 | D | 59.6 | Low | 63.4 | Low | 125 Ų | 125 | 53.3 Ų | 53.3 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.4 | -34.4 | 177.4 | -71.7 | -35.4 | 0 | 0 | 0 | 112 | T1249 K1254 S1255 | T1249-D1251 VanDerWaalsContact C-N 3.26Å; T1249-D1251 PolarHBondContact O-N 3.11Å; D1251-K1254 WeakPolarHBondContact O-CB 3.32Å; D1251-K1254 PolarHBondContact O-N 3.15Å; D1251-S1255 VanDerWaalsContact O-CB 3.3Å; D1251-S1255 WeakPolarHBondContact O-CB 3.36Å; D1251-S1255 PolarHBondContact O-N 3.04Å; D1251-S1255 PolarHBondContact O-OG 3.09Å; D1251-S1255 VanDerWaalsContact O-OG 3.13Å |
| 1252 | E | 62.4 | Low | 63.3 | Low | 76.6 Ų | 76.6 | 53.8 Ų | 53.8 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 168.4 | -77.7 | 159.9 | -141.7 | 0 | 0 | 111.4 | C1247 G1248 T1249 H1250 K1254 S1255 H1256 | C1247-E1252 WeakPolarHBondContact CA-OE2 3.3Å; C1247-E1252 HydrophobicContact CB-CB 3.89Å; G1248-E1252 PolarHBondContact N-OE2 3.06Å; T1249-E1252 WeakPolarHBondContact CG2-OE1 3.36Å; T1249-E1252 PolarHBondContact N-OE2 3.49Å; T1249-E1252 WeakPolarHBondContact O-CB 3.28Å; T1249-E1252 PolarHBondContact O-N 3.02Å; T1249-E1252 VanDerWaalsContact O-N 3.16Å; T1249-E1252 WeakPolarHBondContact OG1-CB 3.35Å; T1249-E1252 VanDerWaalsContact OG1-CD 3.26Å; T1249-E1252 VanDerWaalsContact OG1-CG 3.27Å; T1249-E1252 WeakPolarHBondContact OG1-CG 3.36Å; T1249-E1252 PolarHBondContact OG1-N 3.17Å; T1249-E1252 PolarHBondContact OG1-OE1 3.22Å; H1250-E1252 VanDerWaalsContact C-N 3.35Å; E1252-K1254 VanDerWaalsContact C-N 3.32Å; E1252-K1254 PolarHBondContact O-N 3.38Å; E1252-S1255 WeakPolarHBondContact CA-OG 3.41Å; E1252-S1255 PolarHBondContact O-N 3Å; E1252-S1255 VanDerWaalsContact O-N 3.14Å; E1252-S1255 PolarHBondContact O-OG 3.05Å; E1252-H1256 VanDerWaalsContact O-CB 3.3Å; E1252-H1256 WeakPolarHBondContact O-CB 3.39Å; E1252-H1256 PolarHBondContact O-CD2 2.75Å; E1252-H1256 PolarHBondContact O-N 3.09Å; E1252-H1256 PolarHBondContact O-ND1 2.9Å |
| 1253 | V | 62.4 | Low | 63.5 | Low | 16.2 Ų | 16.2 | 54.5 Ų | 54.5 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | L1218 L1244 C1247 T1249 H1250 S1255 H1256 L1257 | L1218-V1253 HydrophobicContact CD1-CG1 4.03Å; L1218-V1253 HydrophobicContact CD2-CG1 4.37Å; L1244-V1253 HydrophobicContact CD2-CG1 4.26Å; C1247-V1253 HydrophobicContact CB-CB 4.4Å; C1247-V1253 HydrophobicContact CB-CG2 3.56Å; C1247-V1253 VanDerWaalsContact CB-CG2 3.44Å; T1249-V1253 WeakPolarHBondContact O-CG2 3.46Å; T1249-V1253 PolarHBondContact O-N 3.26Å; T1249-V1253 VanDerWaalsContact O-N 3.09Å; H1250-V1253 PolarHBondContact O-N 3.37Å; V1253-S1255 PolarHBondContact O-N 3.19Å; V1253-H1256 PolarHBondContact O-N 3.15Å; V1253-L1257 HydrophobicContact CG1-CD1 3.72Å; V1253-L1257 HydrophobicContact CG1-CG 4.24Å; V1253-L1257 VanDerWaalsContact O-CB 3.26Å; V1253-L1257 WeakPolarHBondContact O-CB 3.27Å; V1253-L1257 WeakPolarHBondContact O-CD1 3.43Å; V1253-L1257 VanDerWaalsContact O-CG 3.23Å; V1253-L1257 WeakPolarHBondContact O-CG 3.34Å; V1253-L1257 PolarHBondContact O-N 2.95Å |
| 1254 | K | 63 | Low | 63.6 | Low | 73 Ų | 73 | 55 Ų | 55 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 179.2 | -154.5 | 172.9 | -165.8 | 171.2 | 0 | 113.6 | Q1217 E1221 H1250 D1251 E1252 K1258 | Q1217-K1254 VanDerWaalsContact OE1-NZ 3.15Å; E1221-K1254 HydrophobicContact CG-CG 4.23Å; E1221-K1254 VanDerWaalsContact OE1-CE 3.23Å; E1221-K1254 WeakPolarHBondContact OE1-CE 3.27Å; E1221-K1254 VanDerWaalsContact OE1-CG 3.31Å; E1221-K1254 WeakPolarHBondContact OE1-CG 3.35Å; E1221-K1254 IonicContact OE1-NZ 3.85Å; E1221-K1254 WeakPolarHBondContact OE2-CG 3.47Å; H1250-K1254 WeakPolarHBondContact O-CB 3.33Å; H1250-K1254 WeakPolarHBondContact O-CG 3Å; H1250-K1254 PolarHBondContact O-N 3.02Å; D1251-K1254 WeakPolarHBondContact O-CB 3.32Å; D1251-K1254 PolarHBondContact O-N 3.15Å; E1252-K1254 VanDerWaalsContact C-N 3.32Å; E1252-K1254 PolarHBondContact O-N 3.38Å; K1254-K1258 WeakPolarHBondContact O-CG 3.33Å; K1254-K1258 PolarHBondContact O-N 3.18Å; K1254-K1258 VanDerWaalsContact O-N 3.16Å |
| 1255 | S | 66 | Low | 63.7 | Low | 57.2 Ų | 57.2 | 57.9 Ų | 57.9 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 177.1 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | D1251 E1252 V1253 K1258 M1259 | D1251-S1255 VanDerWaalsContact O-CB 3.3Å; D1251-S1255 WeakPolarHBondContact O-CB 3.36Å; D1251-S1255 PolarHBondContact O-N 3.04Å; D1251-S1255 PolarHBondContact O-OG 3.09Å; D1251-S1255 VanDerWaalsContact O-OG 3.13Å; E1252-S1255 WeakPolarHBondContact CA-OG 3.41Å; E1252-S1255 PolarHBondContact O-N 3Å; E1252-S1255 VanDerWaalsContact O-N 3.14Å; E1252-S1255 PolarHBondContact O-OG 3.05Å; V1253-S1255 PolarHBondContact O-N 3.19Å; S1255-K1258 PolarHBondContact O-N 3.2Å; S1255-M1259 WeakPolarHBondContact O-CG 3.39Å; S1255-M1259 PolarHBondContact O-N 3Å; S1255-M1259 VanDerWaalsContact O-N 3.12Å |
| 1256 | H | 66.7 | Low | 64.2 | Low | 42.6 Ų | 42.6 | 59.6 Ų | 59.6 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.8 | -74.8 | 70.7 | 0 | 0 | 0 | 111.6 | Y1243 L1244 C1247 E1252 V1253 K1258 M1259 L1260 | Y1243-H1256 HydrophobicContact CE1-CB 4.13Å; Y1243-H1256 AromaticContact CE1-CD2 3.64Å; Y1243-H1256 VanDerWaalsContact CE1-CD2 3.43Å; Y1243-H1256 WeakPolarHBondContact CE1-CD2 3.4Å; Y1243-H1256 AromaticContact CE1-CG 3.91Å; Y1243-H1256 AromaticContact CE1-ND1 3.62Å; Y1243-H1256 AromaticContact CZ-CD2 3.69Å; Y1243-H1256 AromaticContact CZ-ND1 3.74Å; Y1243-H1256 PolarHBondContact OH-CD2 3.22Å; Y1243-H1256 VanDerWaalsContact OH-CD2 3.24Å; Y1243-H1256 PolarHBondContact OH-CE1 3.1Å; Y1243-H1256 PolarHBondContact OH-ND1 3.44Å; Y1243-H1256 PolarHBondContact OH-NE2 2.74Å; Y1243-H1256 VanDerWaalsContact OH-NE2 3.17Å; L1244-H1256 HydrophobicContact CD2-CB 4.17Å; C1247-H1256 PolarHBondContact SG-CD2 3.1Å; C1247-H1256 PolarHBondContact SG-ND1 3.09Å; E1252-H1256 VanDerWaalsContact O-CB 3.3Å; E1252-H1256 WeakPolarHBondContact O-CB 3.39Å; E1252-H1256 PolarHBondContact O-CD2 2.75Å; E1252-H1256 PolarHBondContact O-N 3.09Å; E1252-H1256 PolarHBondContact O-ND1 2.9Å; V1253-H1256 PolarHBondContact O-N 3.15Å; H1256-K1258 VanDerWaalsContact C-N 3.27Å; H1256-K1258 PolarHBondContact O-N 2.91Å; H1256-K1258 VanDerWaalsContact O-N 3.15Å; H1256-M1259 CarbonylContact O-C 3.58Å; H1256-M1259 WeakPolarHBondContact O-CA 3.27Å; H1256-M1259 PolarHBondContact O-N 3.08Å; H1256-L1260 VanDerWaalsContact O-CG 3.25Å; H1256-L1260 WeakPolarHBondContact O-CG 3.32Å; H1256-L1260 PolarHBondContact O-N 3.16Å; H1256-L1260 VanDerWaalsContact O-N 3.12Å |
| 1257 | L | 66.4 | Low | 64.8 | Low | 16.6 Ų | 16.6 | 57.8 Ų | 57.8 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -34.1 | 175.4 | -79 | 170.9 | 0 | 0 | 0 | 113.3 | L1218 E1221 L1225 L1244 V1253 M1259 L1260 | L1218-L1257 HydrophobicContact CD1-CD1 3.73Å; L1218-L1257 HydrophobicContact CD2-CD1 3.88Å; L1218-L1257 HydrophobicContact CG-CD1 4.22Å; E1221-L1257 HydrophobicContact CB-CB 4.15Å; E1221-L1257 HydrophobicContact CB-CD1 4.11Å; E1221-L1257 HydrophobicContact CG-CD1 3.82Å; E1221-L1257 VanDerWaalsContact OE2-CD1 3.27Å; E1221-L1257 WeakPolarHBondContact OE2-CD1 3.41Å; L1225-L1257 HydrophobicContact CD1-CD2 3.59Å; L1225-L1257 HydrophobicContact CD2-CD2 4.07Å; L1225-L1257 HydrophobicContact CG-CD2 3.83Å; L1244-L1257 HydrophobicContact CD1-CD2 3.84Å; L1244-L1257 HydrophobicContact CD1-CG 4.24Å; L1244-L1257 HydrophobicContact CD2-CD2 4.26Å; L1244-L1257 HydrophobicContact CD2-CG 4.15Å; V1253-L1257 HydrophobicContact CG1-CD1 3.72Å; V1253-L1257 HydrophobicContact CG1-CG 4.24Å; V1253-L1257 VanDerWaalsContact O-CB 3.26Å; V1253-L1257 WeakPolarHBondContact O-CB 3.27Å; V1253-L1257 WeakPolarHBondContact O-CD1 3.43Å; V1253-L1257 VanDerWaalsContact O-CG 3.23Å; V1253-L1257 WeakPolarHBondContact O-CG 3.34Å; V1253-L1257 PolarHBondContact O-N 2.95Å; L1257-M1259 VanDerWaalsContact C-N 3.31Å; L1257-M1259 PolarHBondContact O-N 2.9Å; L1257-L1260 HydrophobicContact CD2-CD1 4.01Å; L1257-L1260 PolarHBondContact O-N 2.89Å |
| 1258 | K | 66.9 | Low | 65.3 | Low | 157.4 Ų | 157.4 | 57 Ų | 57 | 68% | 0.684 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -77 | -23.2 | 175.1 | -72.7 | 176.8 | -178.5 | -179.4 | 0 | 114 | E1221 K1254 S1255 H1256 | E1221-K1258 WeakPolarHBondContact OE1-CE 3.35Å; E1221-K1258 IonicContact OE1-NZ 2.74Å; E1221-K1258 PolarHBondContact OE1-NZ 3.31Å; K1254-K1258 WeakPolarHBondContact O-CG 3.33Å; K1254-K1258 PolarHBondContact O-N 3.18Å; K1254-K1258 VanDerWaalsContact O-N 3.16Å; S1255-K1258 PolarHBondContact O-N 3.2Å; H1256-K1258 VanDerWaalsContact C-N 3.27Å; H1256-K1258 PolarHBondContact O-N 2.91Å; H1256-K1258 VanDerWaalsContact O-N 3.15Å |
| 1259 | M | 65.4 | Low | 66.2 | Low | 111.2 Ų | 111.2 | 56.1 Ų | 56.1 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -90 | -19.3 | 177.9 | -84.2 | -178.7 | 62.9 | 0 | 0 | 113 | S1255 H1256 L1257 S1261 Q1270 | S1255-M1259 WeakPolarHBondContact O-CG 3.39Å; S1255-M1259 PolarHBondContact O-N 3Å; S1255-M1259 VanDerWaalsContact O-N 3.12Å; H1256-M1259 CarbonylContact O-C 3.58Å; H1256-M1259 WeakPolarHBondContact O-CA 3.27Å; H1256-M1259 PolarHBondContact O-N 3.08Å; L1257-M1259 VanDerWaalsContact C-N 3.31Å; L1257-M1259 PolarHBondContact O-N 2.9Å; M1259-S1261 PolarHBondContact O-N 3.17Å; M1259-Q1270 PolarHBondContact O-NE2 3.17Å; M1259-Q1270 PolarHBondContact O-OE1 3.02Å |
| 1260 | L | 66.8 | Low | 67 | Low | 22.8 Ų | 22.8 | 54.7 Ų | 54.7 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | trans | -59.7 | 132.7 | -176.3 | -77.6 | 171.1 | 0 | 0 | 0 | 112 | L1225 V1240 Y1243 L1244 H1256 L1257 L1267 | L1225-L1260 HydrophobicContact CD1-CB 4.2Å; L1225-L1260 HydrophobicContact CD1-CD1 3.59Å; L1225-L1260 VanDerWaalsContact CD1-CD1 3.41Å; L1225-L1260 HydrophobicContact CD1-CG 4.37Å; L1225-L1260 HydrophobicContact CD2-CB 4.49Å; L1225-L1260 HydrophobicContact CD2-CD1 3.58Å; L1225-L1260 VanDerWaalsContact CD2-CD1 3.42Å; V1240-L1260 HydrophobicContact CG1-CD1 3.83Å; V1240-L1260 HydrophobicContact CG2-CD1 4.25Å; V1240-L1260 HydrophobicContact CG2-CD2 4.41Å; Y1243-L1260 HydrophobicContact CD1-CD2 3.99Å; Y1243-L1260 HydrophobicContact CE1-CD2 4.16Å; L1244-L1260 HydrophobicContact CD2-CD1 4.39Å; H1256-L1260 VanDerWaalsContact O-CG 3.25Å; H1256-L1260 WeakPolarHBondContact O-CG 3.32Å; H1256-L1260 PolarHBondContact O-N 3.16Å; H1256-L1260 VanDerWaalsContact O-N 3.12Å; L1257-L1260 HydrophobicContact CD2-CD1 4.01Å; L1257-L1260 PolarHBondContact O-N 2.89Å; L1260-L1267 HydrophobicContact CD2-CD1 3.69Å; L1260-L1267 HydrophobicContact CD2-CD2 4.35Å; L1260-L1267 HydrophobicContact CD2-CG 4.25Å | ||
| 1261 | S | 65.5 | Low | 67.6 | Low | 17 Ų | 17 | 49.8 Ų | 49.8 | 12% | 0.119 | 26% | 0.256 | C | S | . | . | trans | -94.6 | 152.5 | -176.4 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | Y1236 M1259 T1263 Q1266 L1267 Q1270 | Y1236-S1261 WeakPolarHBondContact CE2-O 3.16Å; Y1236-S1261 PolarHBondContact OH-O 3.14Å; M1259-S1261 PolarHBondContact O-N 3.17Å; S1261-T1263 VanDerWaalsContact C-N 3.32Å; S1261-T1263 PolarHBondContact O-N 3.05Å; S1261-Q1266 VanDerWaalsContact CB-OE1 3.27Å; S1261-Q1266 VanDerWaalsContact OG-CB 3.24Å; S1261-Q1266 WeakPolarHBondContact OG-CB 3.32Å; S1261-Q1266 PolarHBondContact OG-O 2.92Å; S1261-L1267 WeakPolarHBondContact OG-CA 3.34Å; S1261-L1267 PolarHBondContact OG-N 2.95Å; S1261-L1267 VanDerWaalsContact OG-N 3.11Å; S1261-Q1270 PolarHBondContact OG-OE1 3Å; S1261-Q1270 VanDerWaalsContact OG-OE1 3.08Å | ||
| 1262 | G | 67 | Low | 68.2 | Low | 14.6 Ų | 14.6 | 44.2 Ų | 44.2 | 15% | 0.151 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -74.5 | -7.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A1228 E1230 | A1228-G1262 VanDerWaalsContact O-CA 3.31Å; A1228-G1262 WeakPolarHBondContact O-CA 3.36Å; E1230-G1262 PolarHBondContact N-O 3.14Å |
| 1263 | T | 69 | Low | 68.8 | Low | 34.8 Ų | 34.8 | 46 Ų | 46 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -126.9 | 153 | -177.1 | 61.7 | 0 | 0 | 0 | 0 | 112 | E1230 S1261 D1265 Q1266 L1267 | E1230-T1263 HydrophobicContact CB-CG2 4.46Å; E1230-T1263 HydrophobicContact CG-CG2 4.19Å; E1230-T1263 WeakPolarHBondContact OE2-CG2 3.2Å; S1261-T1263 VanDerWaalsContact C-N 3.32Å; S1261-T1263 PolarHBondContact O-N 3.05Å; T1263-D1265 VanDerWaalsContact C-N 3.32Å; T1263-D1265 PolarHBondContact O-N 3.1Å; T1263-Q1266 PolarHBondContact O-N 3.16Å; T1263-Q1266 WeakPolarHBondContact OG1-CB 3.22Å; T1263-Q1266 VanDerWaalsContact OG1-CG 3.27Å; T1263-Q1266 WeakPolarHBondContact OG1-CG 3.4Å; T1263-Q1266 PolarHBondContact OG1-N 2.88Å; T1263-Q1266 PolarHBondContact OG1-OE1 2.97Å; T1263-Q1266 VanDerWaalsContact OG1-OE1 3.11Å; T1263-L1267 WeakPolarHBondContact O-CB 3.44Å; T1263-L1267 PolarHBondContact O-N 2.98Å; T1263-L1267 VanDerWaalsContact O-N 3.14Å |
| 1264 | I | 69.1 | Low | 69.2 | Low | 25.2 Ų | 25.2 | 48 Ų | 48 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 178.3 | -67.1 | 172.6 | 0 | 0 | 0 | 110.6 | S1235 Y1236 M1239 Q1266 L1267 I1268 I1443 | S1235-I1264 WeakPolarHBondContact OG-CD1 3.44Å; Y1236-I1264 HydrophobicContact CD2-CG1 3.9Å; Y1236-I1264 HydrophobicContact CG-CG1 4.38Å; M1239-I1264 HydrophobicContact CE-CB 4.36Å; M1239-I1264 HydrophobicContact CE-CD1 4.44Å; M1239-I1264 HydrophobicContact CE-CG1 4.33Å; M1239-I1264 HydrophobicContact CE-CG2 3.68Å; M1239-I1264 VanDerWaalsContact CE-CG2 3.47Å; M1239-I1264 HydrophobicContact SD-CG2 4.45Å; I1264-Q1266 VanDerWaalsContact C-N 3.35Å; I1264-Q1266 PolarHBondContact O-N 3.12Å; I1264-L1267 PolarHBondContact O-N 3.22Å; I1264-L1267 VanDerWaalsContact O-N 3.13Å; I1264-I1268 HydrophobicContact CG2-CD1 3.75Å; I1264-I1268 HydrophobicContact CG2-CG1 4.37Å; I1264-I1268 WeakPolarHBondContact O-CB 3.2Å; I1264-I1268 WeakPolarHBondContact O-CG1 3.37Å; I1264-I1268 PolarHBondContact O-N 3.03Å; I1264-I1443 HydrophobicContact CG2-CD1 4.26Å; I1264-I1443 HydrophobicContact CG2-CG1 4.38Å |
| 1265 | D | 69.9 | Low | 69.4 | Low | 77.2 Ų | 77.2 | 44.9 Ų | 44.9 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -177.9 | -54.7 | -10 | 0 | 0 | 0 | 112.5 | T1263 L1267 I1268 D1269 F1357 S1360 V1446 K1450 | T1263-D1265 VanDerWaalsContact C-N 3.32Å; T1263-D1265 PolarHBondContact O-N 3.1Å; D1265-L1267 VanDerWaalsContact C-N 3.33Å; D1265-L1267 PolarHBondContact O-N 2.92Å; D1265-I1268 CarbonylContact C-O 3.56Å; D1265-I1268 VanDerWaalsContact C-O 3.24Å; D1265-I1268 CarbonylContact O-C 3.57Å; D1265-I1268 PolarHBondContact O-N 3.1Å; D1265-D1269 WeakPolarHBondContact O-CB 3.38Å; D1265-D1269 VanDerWaalsContact O-CG 3.24Å; D1265-D1269 PolarHBondContact O-N 3Å; D1265-D1269 VanDerWaalsContact O-OD1 3.08Å; D1265-F1357 HydrophobicContact CB-CD2 3.74Å; D1265-F1357 HydrophobicContact CB-CE2 3.82Å; D1265-F1357 WeakPolarHBondContact O-CE2 3.48Å; D1265-S1360 PolarHBondContact OD2-OG 3.15Å; D1265-V1446 HydrophobicContact CB-CG1 4.17Å; D1265-V1446 VanDerWaalsContact OD1-CG1 3.29Å; D1265-V1446 WeakPolarHBondContact OD1-CG1 3.41Å; D1265-V1446 VanDerWaalsContact OD1-CG2 3.24Å; D1265-V1446 WeakPolarHBondContact OD1-CG2 3.31Å; D1265-K1450 PolarHBondContact O-NZ 3.28Å |
| 1266 | Q | 73 | Confident | 69.6 | Low | 101.6 Ų | 101.6 | 44.6 Ų | 44.6 | 48% | 0.475 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.8 | -28 | 177.2 | -67.4 | 173.1 | -2.9 | 0 | 0 | 112.1 | S1261 T1263 I1264 I1268 D1269 Q1270 | S1261-Q1266 VanDerWaalsContact CB-OE1 3.27Å; S1261-Q1266 VanDerWaalsContact OG-CB 3.24Å; S1261-Q1266 WeakPolarHBondContact OG-CB 3.32Å; S1261-Q1266 PolarHBondContact OG-O 2.92Å; T1263-Q1266 PolarHBondContact O-N 3.16Å; T1263-Q1266 WeakPolarHBondContact OG1-CB 3.22Å; T1263-Q1266 VanDerWaalsContact OG1-CG 3.27Å; T1263-Q1266 WeakPolarHBondContact OG1-CG 3.4Å; T1263-Q1266 PolarHBondContact OG1-N 2.88Å; T1263-Q1266 PolarHBondContact OG1-OE1 2.97Å; T1263-Q1266 VanDerWaalsContact OG1-OE1 3.11Å; I1264-Q1266 VanDerWaalsContact C-N 3.35Å; I1264-Q1266 PolarHBondContact O-N 3.12Å; Q1266-I1268 CarbonylContact C-O 3.6Å; Q1266-I1268 WeakPolarHBondContact CA-O 3.4Å; Q1266-I1268 PolarHBondContact N-O 2.9Å; Q1266-I1268 VanDerWaalsContact O-O 3.12Å; Q1266-D1269 VanDerWaalsContact O-CB 3.27Å; Q1266-D1269 WeakPolarHBondContact O-CB 3.29Å; Q1266-D1269 PolarHBondContact O-N 3.23Å; Q1266-Q1270 WeakPolarHBondContact O-CB 3.34Å; Q1266-Q1270 VanDerWaalsContact O-CD 3.31Å; Q1266-Q1270 WeakPolarHBondContact O-CG 3.41Å; Q1266-Q1270 PolarHBondContact O-N 2.99Å |
| 1267 | L | 72.4 | Confident | 69.6 | Low | 0.8 Ų | 0.8 | 45.9 Ų | 45.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.2 | -42.4 | 175.6 | -173.9 | 136 | 0 | 0 | 0 | 111.4 | Y1236 M1239 V1240 Y1243 L1260 S1261 T1263 I1264 D1265 D1269 Q1270 I1271 | Y1236-L1267 HydrophobicContact CD2-CD1 4.24Å; Y1236-L1267 HydrophobicContact CD2-CD2 4.28Å; Y1236-L1267 HydrophobicContact CE2-CB 4.33Å; Y1236-L1267 HydrophobicContact CE2-CD1 3.62Å; Y1236-L1267 HydrophobicContact CE2-CD2 3.94Å; Y1236-L1267 HydrophobicContact CE2-CG 4.48Å; M1239-L1267 HydrophobicContact CB-CD2 4.27Å; M1239-L1267 HydrophobicContact CE-CB 3.78Å; M1239-L1267 HydrophobicContact CE-CD1 3.94Å; M1239-L1267 HydrophobicContact CE-CD2 3.89Å; M1239-L1267 HydrophobicContact CE-CG 3.82Å; M1239-L1267 HydrophobicContact CG-CD2 4.02Å; M1239-L1267 HydrophobicContact SD-CD2 3.77Å; V1240-L1267 HydrophobicContact CB-CD1 4.43Å; V1240-L1267 HydrophobicContact CB-CD2 4.39Å; V1240-L1267 HydrophobicContact CG2-CD1 3.37Å; V1240-L1267 VanDerWaalsContact CG2-CD1 3.41Å; V1240-L1267 HydrophobicContact CG2-CD2 3.4Å; V1240-L1267 VanDerWaalsContact CG2-CD2 3.4Å; Y1243-L1267 HydrophobicContact CD1-CD1 4.42Å; L1260-L1267 HydrophobicContact CD2-CD1 3.69Å; L1260-L1267 HydrophobicContact CD2-CD2 4.35Å; L1260-L1267 HydrophobicContact CD2-CG 4.25Å; S1261-L1267 WeakPolarHBondContact OG-CA 3.34Å; S1261-L1267 PolarHBondContact OG-N 2.95Å; S1261-L1267 VanDerWaalsContact OG-N 3.11Å; T1263-L1267 WeakPolarHBondContact O-CB 3.44Å; T1263-L1267 PolarHBondContact O-N 2.98Å; T1263-L1267 VanDerWaalsContact O-N 3.14Å; I1264-L1267 PolarHBondContact O-N 3.22Å; I1264-L1267 VanDerWaalsContact O-N 3.13Å; D1265-L1267 VanDerWaalsContact C-N 3.33Å; D1265-L1267 PolarHBondContact O-N 2.92Å; L1267-D1269 VanDerWaalsContact C-N 3.29Å; L1267-D1269 PolarHBondContact O-N 2.95Å; L1267-Q1270 PolarHBondContact O-N 3.09Å; L1267-Q1270 VanDerWaalsContact O-N 3.13Å; L1267-I1271 HydrophobicContact CD1-CD1 4.28Å; L1267-I1271 HydrophobicContact CD1-CG1 4.37Å; L1267-I1271 HydrophobicContact CD2-CD1 3.47Å; L1267-I1271 VanDerWaalsContact CD2-CD1 3.5Å; L1267-I1271 HydrophobicContact CD2-CG1 4.26Å; L1267-I1271 HydrophobicContact CG-CD1 4.15Å; L1267-I1271 WeakPolarHBondContact O-CB 3.42Å; L1267-I1271 WeakPolarHBondContact O-CD1 3.42Å; L1267-I1271 VanDerWaalsContact O-CG1 3.27Å; L1267-I1271 WeakPolarHBondContact O-CG1 3.4Å; L1267-I1271 PolarHBondContact O-N 3.27Å |
| 1268 | I | 71.4 | Confident | 69.4 | Low | 3.4 Ų | 3.4 | 50.2 Ų | 50.2 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 165.7 | -64.6 | 166.5 | 0 | 0 | 0 | 109.4 | M1239 I1264 D1265 Q1266 Q1270 I1271 I1272 F1357 L1386 I1443 V1446 V1447 | M1239-I1268 HydrophobicContact CE-CD1 4.24Å; M1239-I1268 HydrophobicContact CE-CG1 4.1Å; M1239-I1268 HydrophobicContact SD-CG1 4.32Å; I1264-I1268 HydrophobicContact CG2-CD1 3.75Å; I1264-I1268 HydrophobicContact CG2-CG1 4.37Å; I1264-I1268 WeakPolarHBondContact O-CB 3.2Å; I1264-I1268 WeakPolarHBondContact O-CG1 3.37Å; I1264-I1268 PolarHBondContact O-N 3.03Å; D1265-I1268 CarbonylContact C-O 3.56Å; D1265-I1268 VanDerWaalsContact C-O 3.24Å; D1265-I1268 CarbonylContact O-C 3.57Å; D1265-I1268 PolarHBondContact O-N 3.1Å; Q1266-I1268 CarbonylContact C-O 3.6Å; Q1266-I1268 WeakPolarHBondContact CA-O 3.4Å; Q1266-I1268 PolarHBondContact N-O 2.9Å; Q1266-I1268 VanDerWaalsContact O-O 3.12Å; I1268-Q1270 VanDerWaalsContact C-N 3.29Å; I1268-Q1270 PolarHBondContact O-N 3.19Å; I1268-I1271 PolarHBondContact O-N 3.32Å; I1268-I1272 HydrophobicContact CG2-CD1 3.76Å; I1268-I1272 HydrophobicContact CG2-CG1 4.34Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.31Å; I1268-I1272 PolarHBondContact O-N 3.14Å; I1268-F1357 HydrophobicContact CB-CD1 4.17Å; I1268-F1357 HydrophobicContact CB-CD2 3.88Å; I1268-F1357 HydrophobicContact CB-CE1 4.23Å; I1268-F1357 HydrophobicContact CB-CE2 3.97Å; I1268-F1357 HydrophobicContact CB-CG 3.97Å; I1268-F1357 HydrophobicContact CB-CZ 4.11Å; I1268-F1357 HydrophobicContact CD1-CB 3.78Å; I1268-F1357 HydrophobicContact CD1-CD2 4.1Å; I1268-F1357 HydrophobicContact CD1-CG 3.93Å; I1268-F1357 HydrophobicContact CG2-CB 4.39Å; I1268-F1357 HydrophobicContact CG2-CD1 3.38Å; I1268-F1357 HydrophobicContact CG2-CD2 4.03Å; I1268-F1357 HydrophobicContact CG2-CE1 3.51Å; I1268-F1357 HydrophobicContact CG2-CE2 4.15Å; I1268-F1357 HydrophobicContact CG2-CG 3.64Å; I1268-F1357 HydrophobicContact CG2-CZ 3.88Å; I1268-L1386 HydrophobicContact CG1-CD2 4.04Å; I1268-L1386 HydrophobicContact CG2-CD2 4.35Å; I1268-I1443 HydrophobicContact CD1-CB 4.33Å; I1268-I1443 HydrophobicContact CD1-CD1 4.44Å; I1268-I1443 HydrophobicContact CD1-CG1 4.31Å; I1268-I1443 HydrophobicContact CD1-CG2 4Å; I1268-V1446 HydrophobicContact CB-CG1 4.29Å; I1268-V1446 HydrophobicContact CD1-CB 4.13Å; I1268-V1446 HydrophobicContact CD1-CG1 3.72Å; I1268-V1446 HydrophobicContact CG2-CG1 4.17Å; I1268-V1447 HydrophobicContact CG2-CG2 3.92Å |
| 1269 | D | 73 | Confident | 69.1 | Low | 33 Ų | 33 | 44.6 Ų | 44.6 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -46.5 | -45.9 | 179.6 | -130.6 | 31.3 | 0 | 0 | 0 | 112.3 | D1265 Q1266 L1267 I1272 K1273 F1357 L1366 K1450 | D1265-D1269 WeakPolarHBondContact O-CB 3.38Å; D1265-D1269 VanDerWaalsContact O-CG 3.24Å; D1265-D1269 PolarHBondContact O-N 3Å; D1265-D1269 VanDerWaalsContact O-OD1 3.08Å; Q1266-D1269 VanDerWaalsContact O-CB 3.27Å; Q1266-D1269 WeakPolarHBondContact O-CB 3.29Å; Q1266-D1269 PolarHBondContact O-N 3.23Å; L1267-D1269 VanDerWaalsContact C-N 3.29Å; L1267-D1269 PolarHBondContact O-N 2.95Å; D1269-I1272 PolarHBondContact O-N 3.27Å; D1269-K1273 VanDerWaalsContact CG-NZ 3.31Å; D1269-K1273 VanDerWaalsContact O-CB 3.3Å; D1269-K1273 WeakPolarHBondContact O-CB 3.36Å; D1269-K1273 WeakPolarHBondContact O-CD 3.35Å; D1269-K1273 VanDerWaalsContact O-CG 3.27Å; D1269-K1273 WeakPolarHBondContact O-CG 3.15Å; D1269-K1273 PolarHBondContact O-N 3.23Å; D1269-K1273 VanDerWaalsContact OD1-CE 3.27Å; D1269-K1273 WeakPolarHBondContact OD1-CE 3.41Å; D1269-K1273 IonicContact OD1-NZ 3.31Å; D1269-K1273 PolarHBondContact OD1-NZ 3.18Å; D1269-K1273 VanDerWaalsContact OD2-CE 3.23Å; D1269-K1273 WeakPolarHBondContact OD2-CE 3.45Å; D1269-K1273 IonicContact OD2-NZ 2.78Å; D1269-K1273 PolarHBondContact OD2-NZ 3.11Å; D1269-F1357 HydrophobicContact CB-CE2 4.36Å; D1269-F1357 HydrophobicContact CB-CZ 3.93Å; D1269-L1366 HydrophobicContact CB-CD1 4.27Å; D1269-L1366 WeakPolarHBondContact OD1-CD2 3.47Å; D1269-K1450 HydrophobicContact CB-CD 4.24Å; D1269-K1450 VanDerWaalsContact CG-CE 3.47Å; D1269-K1450 WeakPolarHBondContact OD1-CD 3.1Å; D1269-K1450 VanDerWaalsContact OD1-CE 3.3Å; D1269-K1450 WeakPolarHBondContact OD1-CE 2.97Å; D1269-K1450 IonicContact OD1-NZ 3.42Å; D1269-K1450 PolarHBondContact OD1-NZ 3.29Å; D1269-K1450 WeakPolarHBondContact OD2-CE 3.34Å; D1269-K1450 IonicContact OD2-NZ 3.28Å; D1269-K1450 PolarHBondContact OD2-NZ 3.1Å |
| 1270 | Q | 72.9 | Confident | 69.2 | Low | 35 Ų | 35 | 46.9 Ų | 46.9 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 177.5 | -111.3 | 174.1 | -3.8 | 0 | 0 | 111.9 | M1259 S1261 Q1266 L1267 I1268 I1272 K1273 N1274 | M1259-Q1270 PolarHBondContact O-NE2 3.17Å; M1259-Q1270 PolarHBondContact O-OE1 3.02Å; S1261-Q1270 PolarHBondContact OG-OE1 3Å; S1261-Q1270 VanDerWaalsContact OG-OE1 3.08Å; Q1266-Q1270 WeakPolarHBondContact O-CB 3.34Å; Q1266-Q1270 VanDerWaalsContact O-CD 3.31Å; Q1266-Q1270 WeakPolarHBondContact O-CG 3.41Å; Q1266-Q1270 PolarHBondContact O-N 2.99Å; L1267-Q1270 PolarHBondContact O-N 3.09Å; L1267-Q1270 VanDerWaalsContact O-N 3.13Å; I1268-Q1270 VanDerWaalsContact C-N 3.29Å; I1268-Q1270 PolarHBondContact O-N 3.19Å; Q1270-I1272 VanDerWaalsContact C-N 3.3Å; Q1270-I1272 PolarHBondContact O-N 2.89Å; Q1270-K1273 PolarHBondContact O-N 3.16Å; Q1270-N1274 VanDerWaalsContact O-CB 3.29Å; Q1270-N1274 WeakPolarHBondContact O-CB 3.32Å; Q1270-N1274 PolarHBondContact O-N 3.05Å; Q1270-N1274 PolarHBondContact O-ND2 3Å; Q1270-N1274 PolarHBondContact O-OD1 3.19Å |
| 1271 | I | 71.8 | Confident | 69.2 | Low | 5.2 Ų | 5.2 | 48.6 Ų | 48.6 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.7 | -67.3 | 165.9 | 0 | 0 | 0 | 110.1 | M1239 Y1243 L1267 I1268 N1274 L1275 I1336 P1385 L1386 | M1239-I1271 HydrophobicContact CE-CD1 4.05Å; M1239-I1271 HydrophobicContact SD-CD1 4.48Å; Y1243-I1271 HydrophobicContact CD2-CD1 4.1Å; Y1243-I1271 HydrophobicContact CD2-CG1 3.62Å; Y1243-I1271 HydrophobicContact CE2-CG1 3.77Å; Y1243-I1271 HydrophobicContact CG-CG1 4.35Å; L1267-I1271 HydrophobicContact CD1-CD1 4.28Å; L1267-I1271 HydrophobicContact CD1-CG1 4.37Å; L1267-I1271 HydrophobicContact CD2-CD1 3.47Å; L1267-I1271 VanDerWaalsContact CD2-CD1 3.5Å; L1267-I1271 HydrophobicContact CD2-CG1 4.26Å; L1267-I1271 HydrophobicContact CG-CD1 4.15Å; L1267-I1271 WeakPolarHBondContact O-CB 3.42Å; L1267-I1271 WeakPolarHBondContact O-CD1 3.42Å; L1267-I1271 VanDerWaalsContact O-CG1 3.27Å; L1267-I1271 WeakPolarHBondContact O-CG1 3.4Å; L1267-I1271 PolarHBondContact O-N 3.27Å; I1268-I1271 PolarHBondContact O-N 3.32Å; I1271-N1274 PolarHBondContact O-N 3.3Å; I1271-L1275 HydrophobicContact CG2-CD1 4.01Å; I1271-L1275 HydrophobicContact CG2-CG 4.34Å; I1271-L1275 WeakPolarHBondContact O-CB 3.38Å; I1271-L1275 VanDerWaalsContact O-CG 3.27Å; I1271-L1275 WeakPolarHBondContact O-CG 3.35Å; I1271-L1275 PolarHBondContact O-N 2.95Å; I1271-L1275 VanDerWaalsContact O-N 3.13Å; I1271-I1336 HydrophobicContact CG2-CD1 4.49Å; I1271-P1385 HydrophobicContact CD1-CB 4.04Å; I1271-L1386 HydrophobicContact CB-CD2 4.15Å; I1271-L1386 HydrophobicContact CB-CG 4.47Å; I1271-L1386 HydrophobicContact CD1-CD2 4Å; I1271-L1386 HydrophobicContact CD1-CG 4.36Å; I1271-L1386 HydrophobicContact CG2-CD1 4.06Å; I1271-L1386 HydrophobicContact CG2-CD2 4.19Å; I1271-L1386 HydrophobicContact CG2-CG 4.14Å |
| 1272 | I | 71.6 | Confident | 69.4 | Low | 7.4 Ų | 7.4 | 51.5 Ų | 51.5 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | -178.4 | -65 | 171.3 | 0 | 0 | 0 | 111 | I1268 D1269 Q1270 N1274 L1275 E1276 I1284 L1288 F1357 L1369 L1386 V1447 K1450 F1451 | I1268-I1272 HydrophobicContact CG2-CD1 3.76Å; I1268-I1272 HydrophobicContact CG2-CG1 4.34Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.31Å; I1268-I1272 PolarHBondContact O-N 3.14Å; D1269-I1272 PolarHBondContact O-N 3.27Å; Q1270-I1272 VanDerWaalsContact C-N 3.3Å; Q1270-I1272 PolarHBondContact O-N 2.89Å; I1272-N1274 VanDerWaalsContact C-N 3.31Å; I1272-N1274 PolarHBondContact O-N 3.05Å; I1272-L1275 CarbonylContact O-C 3.47Å; I1272-L1275 WeakPolarHBondContact O-CA 3.19Å; I1272-L1275 WeakPolarHBondContact O-CB 3.39Å; I1272-L1275 PolarHBondContact O-N 3.22Å; I1272-L1275 VanDerWaalsContact O-N 3.1Å; I1272-E1276 HydrophobicContact CG2-CG 4.26Å; I1272-E1276 WeakPolarHBondContact CG2-OE1 3.4Å; I1272-E1276 WeakPolarHBondContact O-CB 3.44Å; I1272-E1276 WeakPolarHBondContact O-CG 3.24Å; I1272-E1276 PolarHBondContact O-N 3.18Å; I1272-I1284 HydrophobicContact CG2-CG2 4.32Å; I1272-L1288 HydrophobicContact CD1-CD1 4.17Å; I1272-L1288 HydrophobicContact CG1-CD1 4.46Å; I1272-F1357 HydrophobicContact CD1-CD1 4.3Å; I1272-F1357 HydrophobicContact CD1-CE1 3.63Å; I1272-F1357 HydrophobicContact CD1-CZ 4.44Å; I1272-L1369 HydrophobicContact CG2-CD1 3.71Å; I1272-L1369 HydrophobicContact CG2-CD2 4.28Å; I1272-L1386 HydrophobicContact CD1-CD1 4.32Å; I1272-L1386 HydrophobicContact CG1-CD1 4.27Å; I1272-V1447 HydrophobicContact CD1-CG1 4.49Å; I1272-K1450 HydrophobicContact CD1-CD 4.35Å; I1272-F1451 HydrophobicContact CD1-CE2 3.36Å; I1272-F1451 HydrophobicContact CD1-CZ 3.53Å; I1272-F1451 HydrophobicContact CG2-CZ 3.91Å |
| 1273 | K | 74.1 | Confident | 69.6 | Low | 113.2 Ų | 113.2 | 51.7 Ų | 51.7 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 176.9 | -76.6 | 171.6 | -180 | 171.3 | 0 | 113.2 | D1269 Q1270 L1275 E1276 G1277 | D1269-K1273 VanDerWaalsContact CG-NZ 3.31Å; D1269-K1273 VanDerWaalsContact O-CB 3.3Å; D1269-K1273 WeakPolarHBondContact O-CB 3.36Å; D1269-K1273 WeakPolarHBondContact O-CD 3.35Å; D1269-K1273 VanDerWaalsContact O-CG 3.27Å; D1269-K1273 WeakPolarHBondContact O-CG 3.15Å; D1269-K1273 PolarHBondContact O-N 3.23Å; D1269-K1273 VanDerWaalsContact OD1-CE 3.27Å; D1269-K1273 WeakPolarHBondContact OD1-CE 3.41Å; D1269-K1273 IonicContact OD1-NZ 3.31Å; D1269-K1273 PolarHBondContact OD1-NZ 3.18Å; D1269-K1273 VanDerWaalsContact OD2-CE 3.23Å; D1269-K1273 WeakPolarHBondContact OD2-CE 3.45Å; D1269-K1273 IonicContact OD2-NZ 2.78Å; D1269-K1273 PolarHBondContact OD2-NZ 3.11Å; Q1270-K1273 PolarHBondContact O-N 3.16Å; K1273-L1275 VanDerWaalsContact C-N 3.33Å; K1273-E1276 PolarHBondContact O-N 3.03Å; K1273-G1277 PolarHBondContact O-N 3.08Å; K1273-G1277 VanDerWaalsContact O-N 3.1Å |
| 1274 | N | 71.1 | Confident | 69.8 | Low | 59.8 Ų | 59.8 | 50.1 Ų | 50.1 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 175.2 | -71.9 | -10.3 | 0 | 0 | 0 | 111.2 | Y1243 Q1270 I1271 I1272 G1277 E1278 M1333 | Y1243-N1274 PolarHBondContact OH-ND2 3.02Å; Q1270-N1274 VanDerWaalsContact O-CB 3.29Å; Q1270-N1274 WeakPolarHBondContact O-CB 3.32Å; Q1270-N1274 PolarHBondContact O-N 3.05Å; Q1270-N1274 PolarHBondContact O-ND2 3Å; Q1270-N1274 PolarHBondContact O-OD1 3.19Å; I1271-N1274 PolarHBondContact O-N 3.3Å; I1272-N1274 VanDerWaalsContact C-N 3.31Å; I1272-N1274 PolarHBondContact O-N 3.05Å; N1274-G1277 PolarHBondContact O-N 3.02Å; N1274-E1278 PolarHBondContact O-N 3.1Å; N1274-M1333 HydrophobicContact CB-CE 3.57Å |
| 1275 | L | 68.3 | Low | 70 | Confident | 7.8 Ų | 7.8 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 173.4 | -70.6 | 170.7 | 0 | 0 | 0 | 111.8 | I1271 I1272 K1273 G1277 E1278 Y1279 I1284 M1333 R1382 L1383 L1386 | I1271-L1275 HydrophobicContact CG2-CD1 4.01Å; I1271-L1275 HydrophobicContact CG2-CG 4.34Å; I1271-L1275 WeakPolarHBondContact O-CB 3.38Å; I1271-L1275 VanDerWaalsContact O-CG 3.27Å; I1271-L1275 WeakPolarHBondContact O-CG 3.35Å; I1271-L1275 PolarHBondContact O-N 2.95Å; I1271-L1275 VanDerWaalsContact O-N 3.13Å; I1272-L1275 CarbonylContact O-C 3.47Å; I1272-L1275 WeakPolarHBondContact O-CA 3.19Å; I1272-L1275 WeakPolarHBondContact O-CB 3.39Å; I1272-L1275 PolarHBondContact O-N 3.22Å; I1272-L1275 VanDerWaalsContact O-N 3.1Å; K1273-L1275 VanDerWaalsContact C-N 3.33Å; L1275-G1277 VanDerWaalsContact C-N 3.27Å; L1275-G1277 PolarHBondContact O-N 3.11Å; L1275-G1277 VanDerWaalsContact O-N 3.1Å; L1275-E1278 PolarHBondContact O-N 3.01Å; L1275-E1278 VanDerWaalsContact O-N 3.13Å; L1275-Y1279 HydrophobicContact CB-CD2 4.3Å; L1275-Y1279 HydrophobicContact CD2-CD2 4.38Å; L1275-Y1279 HydrophobicContact CD2-CE2 4.23Å; L1275-Y1279 WeakPolarHBondContact O-CD2 3.07Å; L1275-Y1279 PolarHBondContact O-N 3.12Å; L1275-Y1279 VanDerWaalsContact O-N 3.08Å; L1275-I1284 VanDerWaalsContact C-CD1 3.48Å; L1275-I1284 HydrophobicContact CB-CD1 3.66Å; L1275-I1284 HydrophobicContact CB-CG1 4.35Å; L1275-I1284 WeakPolarHBondContact O-CD1 3.32Å; L1275-M1333 HydrophobicContact CD2-CB 3.87Å; L1275-M1333 HydrophobicContact CD2-CE 3.89Å; L1275-M1333 HydrophobicContact CD2-CG 3.64Å; L1275-M1333 HydrophobicContact CD2-SD 4.27Å; L1275-M1333 HydrophobicContact CG-CE 3.84Å; L1275-M1333 HydrophobicContact CG-CG 4.26Å; L1275-R1382 HydrophobicContact CD2-CB 3.58Å; L1275-R1382 HydrophobicContact CD2-CG 4.2Å; L1275-R1382 HydrophobicContact CG-CB 4.38Å; L1275-L1383 HydrophobicContact CD1-CD2 3.59Å; L1275-L1383 VanDerWaalsContact CD1-CD2 3.44Å; L1275-L1383 HydrophobicContact CD1-CG 4.03Å; L1275-L1386 HydrophobicContact CD1-CD1 3.88Å |
| 1276 | E | 69.6 | Low | 70.2 | Confident | 50.6 Ų | 50.6 | 46.4 Ų | 46.4 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -27.4 | 176.2 | -74.2 | 177.1 | 163.8 | 0 | 0 | 112.7 | I1272 K1273 Y1279 N1281 I1284 H1455 | I1272-E1276 HydrophobicContact CG2-CG 4.26Å; I1272-E1276 WeakPolarHBondContact CG2-OE1 3.4Å; I1272-E1276 WeakPolarHBondContact O-CB 3.44Å; I1272-E1276 WeakPolarHBondContact O-CG 3.24Å; I1272-E1276 PolarHBondContact O-N 3.18Å; K1273-E1276 PolarHBondContact O-N 3.03Å; E1276-Y1279 CarbonylContact C-O 3.54Å; E1276-Y1279 VanDerWaalsContact O-O 3.1Å; E1276-N1281 WeakPolarHBondContact CB-OD1 3.4Å; E1276-N1281 VanDerWaalsContact CD-ND2 3.29Å; E1276-N1281 HydrophobicContact CG-CB 4.31Å; E1276-N1281 PolarHBondContact O-OD1 3.06Å; E1276-N1281 PolarHBondContact OE1-ND2 3.34Å; E1276-N1281 PolarHBondContact OE1-OD1 2.82Å; E1276-I1284 HydrophobicContact CB-CD1 4.04Å; E1276-I1284 HydrophobicContact CG-CD1 4.03Å; E1276-H1455 IonicContact OE1-CE1 2.97Å |
| 1277 | G | 65.7 | Low | 70.3 | Confident | 70.2 Ų | 70.2 | 41.7 Ų | 41.7 | 72% | 0.724 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -74.8 | -31.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1273 N1274 L1275 | K1273-G1277 PolarHBondContact O-N 3.08Å; K1273-G1277 VanDerWaalsContact O-N 3.1Å; N1274-G1277 PolarHBondContact O-N 3.02Å; L1275-G1277 VanDerWaalsContact C-N 3.27Å; L1275-G1277 PolarHBondContact O-N 3.11Å; L1275-G1277 VanDerWaalsContact O-N 3.1Å |
| 1278 | E | 62.7 | Low | 70.4 | Confident | 106.6 Ų | 106.6 | 42.1 Ų | 42.1 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -91 | -32.7 | -178 | -71.9 | -170.8 | 167.3 | 0 | 0 | 113.2 | N1274 L1275 R1382 | N1274-E1278 PolarHBondContact O-N 3.1Å; L1275-E1278 PolarHBondContact O-N 3.01Å; L1275-E1278 VanDerWaalsContact O-N 3.13Å; E1278-R1382 IonicContact OE1-CZ 3.27Å; E1278-R1382 IonicContact OE1-NE 3.32Å; E1278-R1382 IonicContact OE1-NH2 3.4Å; E1278-R1382 PolarHBondContact OE1-NH2 3.21Å; E1278-R1382 IonicContact OE2-CZ 3.18Å; E1278-R1382 IonicContact OE2-NE 3.19Å; E1278-R1382 PolarHBondContact OE2-NE 3.01Å; E1278-R1382 IonicContact OE2-NH2 3.4Å |
| 1279 | Y | 61.6 | Low | 70.6 | Confident | 39.4 Ų | 39.4 | 42.1 Ų | 42.1 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -125.2 | 156 | -175.6 | -57.2 | -87.7 | 0 | 0 | 0 | 111.6 | L1275 E1276 N1281 L1283 I1284 P1330 T1375 I1378 L1379 R1382 | L1275-Y1279 HydrophobicContact CB-CD2 4.3Å; L1275-Y1279 HydrophobicContact CD2-CD2 4.38Å; L1275-Y1279 HydrophobicContact CD2-CE2 4.23Å; L1275-Y1279 WeakPolarHBondContact O-CD2 3.07Å; L1275-Y1279 PolarHBondContact O-N 3.12Å; L1275-Y1279 VanDerWaalsContact O-N 3.08Å; E1276-Y1279 CarbonylContact C-O 3.54Å; E1276-Y1279 VanDerWaalsContact O-O 3.1Å; Y1279-N1281 PolarHBondContact O-N 3.17Å; Y1279-N1281 VanDerWaalsContact O-N 3.14Å; Y1279-L1283 HydrophobicContact CD1-CD2 4.33Å; Y1279-I1284 HydrophobicContact CD2-CD1 4.35Å; Y1279-I1284 HydrophobicContact CG-CD1 4.36Å; Y1279-I1284 WeakPolarHBondContact O-CD1 3.33Å; Y1279-P1330 HydrophobicContact CD1-CB 4.48Å; Y1279-P1330 HydrophobicContact CE1-CB 3.66Å; Y1279-P1330 HydrophobicContact CE1-CG 4.16Å; Y1279-P1330 HydrophobicContact CE2-CB 4.28Å; Y1279-P1330 WeakPolarHBondContact OH-CA 3.27Å; Y1279-P1330 VanDerWaalsContact OH-N 3.12Å; Y1279-T1375 HydrophobicContact CD1-CG2 4.5Å; Y1279-T1375 HydrophobicContact CE1-CG2 3.87Å; Y1279-I1378 HydrophobicContact CE1-CG2 3.92Å; Y1279-I1378 WeakPolarHBondContact OH-CB 3.41Å; Y1279-I1378 WeakPolarHBondContact OH-CG2 3.31Å; Y1279-I1378 PolarHBondContact OH-O 3.06Å; Y1279-L1379 HydrophobicContact CD1-CD1 4.22Å; Y1279-L1379 HydrophobicContact CD2-CD1 4.33Å; Y1279-L1379 HydrophobicContact CE1-CD1 4.28Å; Y1279-L1379 HydrophobicContact CE2-CD1 4.44Å; Y1279-L1379 HydrophobicContact CG-CD1 4.33Å; Y1279-R1382 HydrophobicContact CE2-CB 4.21Å; Y1279-R1382 HydrophobicContact CE2-CG 4.28Å |
| 1280 | K | 66.7 | Low | 70.7 | Confident | 158.8 Ų | 158.8 | 40.7 Ų | 40.7 | 69% | 0.69 | 21% | 0.212 | S | C | * | . | trans | -57.4 | 125 | 171.8 | -66.3 | -176.4 | 179.6 | -179.2 | 0 | 109.6 | L641 D1282 L1283 I1284 | L641-K1280 HydrophobicContact CD1-CD 4.12Å; K1280-D1282 PolarHBondContact O-N 2.93Å; K1280-D1282 VanDerWaalsContact O-N 3.08Å; K1280-L1283 WeakPolarHBondContact O-CB 3.35Å; K1280-L1283 PolarHBondContact O-N 2.99Å; K1280-I1284 PolarHBondContact O-N 2.96Å | ||
| 1281 | N | 67.4 | Low | 70.7 | Confident | 58.4 Ų | 58.4 | 40 Ų | 40 | 31% | 0.312 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -43.5 | -45.8 | -179.5 | -103.7 | -1.9 | 0 | 0 | 0 | 112.6 | E1276 Y1279 L1283 I1284 I1285 | E1276-N1281 WeakPolarHBondContact CB-OD1 3.4Å; E1276-N1281 VanDerWaalsContact CD-ND2 3.29Å; E1276-N1281 HydrophobicContact CG-CB 4.31Å; E1276-N1281 PolarHBondContact O-OD1 3.06Å; E1276-N1281 PolarHBondContact OE1-ND2 3.34Å; E1276-N1281 PolarHBondContact OE1-OD1 2.82Å; Y1279-N1281 PolarHBondContact O-N 3.17Å; Y1279-N1281 VanDerWaalsContact O-N 3.14Å; N1281-L1283 VanDerWaalsContact C-N 3.28Å; N1281-L1283 PolarHBondContact O-N 3Å; N1281-L1283 VanDerWaalsContact O-N 3.12Å; N1281-I1284 PolarHBondContact O-N 2.92Å; N1281-I1284 VanDerWaalsContact O-N 3.16Å; N1281-I1285 HydrophobicContact CB-CD1 4.11Å; N1281-I1285 WeakPolarHBondContact O-CB 3.15Å; N1281-I1285 WeakPolarHBondContact O-CD1 3.3Å; N1281-I1285 VanDerWaalsContact O-CG1 3.24Å; N1281-I1285 WeakPolarHBondContact O-CG1 3.29Å; N1281-I1285 PolarHBondContact O-N 3.3Å; N1281-I1285 WeakPolarHBondContact OD1-CD1 3.37Å; N1281-I1285 WeakPolarHBondContact OD1-CG1 3.48Å |
| 1282 | D | 69.1 | Low | 70.6 | Confident | 79.2 Ų | 79.2 | 40.9 Ų | 40.9 | 42% | 0.424 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.7 | -36.4 | -178.2 | -48 | -28.5 | 0 | 0 | 0 | 113.5 | K1280 A1286 W1310 | K1280-D1282 PolarHBondContact O-N 2.93Å; K1280-D1282 VanDerWaalsContact O-N 3.08Å; D1282-A1286 VanDerWaalsContact O-CB 3.26Å; D1282-A1286 WeakPolarHBondContact O-CB 3.38Å; D1282-A1286 PolarHBondContact O-N 3.13Å; D1282-W1310 VanDerWaalsContact C-CH2 3.45Å; D1282-W1310 HydrophobicContact CB-CH2 3.53Å; D1282-W1310 HydrophobicContact CB-CZ2 3.96Å; D1282-W1310 VanDerWaalsContact O-CH2 3.28Å; D1282-W1310 WeakPolarHBondContact O-CH2 3.32Å; D1282-W1310 VanDerWaalsContact O-CZ2 3.25Å; D1282-W1310 WeakPolarHBondContact O-CZ2 3.4Å |
| 1283 | L | 72.1 | Confident | 70.6 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.1 | -39.2 | -179.5 | -170.8 | 93.7 | 0 | 0 | 0 | 111.7 | Y1279 K1280 N1281 A1286 T1287 L1307 W1310 L1311 W1326 L1371 L1379 | Y1279-L1283 HydrophobicContact CD1-CD2 4.33Å; K1280-L1283 WeakPolarHBondContact O-CB 3.35Å; K1280-L1283 PolarHBondContact O-N 2.99Å; N1281-L1283 VanDerWaalsContact C-N 3.28Å; N1281-L1283 PolarHBondContact O-N 3Å; N1281-L1283 VanDerWaalsContact O-N 3.12Å; L1283-A1286 PolarHBondContact O-N 2.88Å; L1283-T1287 HydrophobicContact CD2-CG2 4.39Å; L1283-T1287 WeakPolarHBondContact O-CB 3.31Å; L1283-T1287 VanDerWaalsContact O-CG2 3.27Å; L1283-T1287 WeakPolarHBondContact O-CG2 3.4Å; L1283-T1287 PolarHBondContact O-N 3.06Å; L1283-T1287 PolarHBondContact O-OG1 3.02Å; L1283-L1307 HydrophobicContact CD1-CD2 4.23Å; L1283-W1310 HydrophobicContact CB-CZ3 4.3Å; L1283-W1310 HydrophobicContact CD1-CZ3 4.19Å; L1283-W1310 HydrophobicContact CG-CZ3 4.5Å; L1283-L1311 HydrophobicContact CD1-CD1 4.09Å; L1283-L1311 HydrophobicContact CD1-CD2 4.14Å; L1283-L1311 HydrophobicContact CD1-CG 4.27Å; L1283-W1326 HydrophobicContact CD1-CH2 4.41Å; L1283-L1371 HydrophobicContact CD1-CD1 4.34Å; L1283-L1371 HydrophobicContact CD2-CD1 4.23Å; L1283-L1379 HydrophobicContact CD2-CD1 4.04Å; L1283-L1379 VanDerWaalsContact CD2-CD1 3.47Å; L1283-L1379 HydrophobicContact CD2-CD2 3.98Å; L1283-L1379 HydrophobicContact CG-CD1 4.15Å; L1283-L1379 HydrophobicContact CG-CD2 4.17Å |
| 1284 | I | 73.4 | Confident | 70.3 | Confident | 1.6 Ų | 1.6 | 37.7 Ų | 37.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 177.3 | -64.6 | 157.4 | 0 | 0 | 0 | 109.6 | I1272 L1275 E1276 Y1279 K1280 N1281 A1286 T1287 L1288 L1379 L1383 | I1272-I1284 HydrophobicContact CG2-CG2 4.32Å; L1275-I1284 VanDerWaalsContact C-CD1 3.48Å; L1275-I1284 HydrophobicContact CB-CD1 3.66Å; L1275-I1284 HydrophobicContact CB-CG1 4.35Å; L1275-I1284 WeakPolarHBondContact O-CD1 3.32Å; E1276-I1284 HydrophobicContact CB-CD1 4.04Å; E1276-I1284 HydrophobicContact CG-CD1 4.03Å; Y1279-I1284 HydrophobicContact CD2-CD1 4.35Å; Y1279-I1284 HydrophobicContact CG-CD1 4.36Å; Y1279-I1284 WeakPolarHBondContact O-CD1 3.33Å; K1280-I1284 PolarHBondContact O-N 2.96Å; N1281-I1284 PolarHBondContact O-N 2.92Å; N1281-I1284 VanDerWaalsContact O-N 3.16Å; I1284-A1286 VanDerWaalsContact C-N 3.29Å; I1284-A1286 PolarHBondContact O-N 3.03Å; I1284-T1287 VanDerWaalsContact CA-OG1 3.31Å; I1284-T1287 WeakPolarHBondContact CA-OG1 3.38Å; I1284-T1287 WeakPolarHBondContact O-CB 3.48Å; I1284-T1287 PolarHBondContact O-N 3.11Å; I1284-T1287 VanDerWaalsContact O-N 3.14Å; I1284-T1287 PolarHBondContact O-OG1 3.34Å; I1284-L1288 HydrophobicContact CG2-CD1 3.92Å; I1284-L1288 HydrophobicContact CG2-CG 4.25Å; I1284-L1288 WeakPolarHBondContact O-CB 3.35Å; I1284-L1288 WeakPolarHBondContact O-CG 3.35Å; I1284-L1288 PolarHBondContact O-N 3.14Å; I1284-L1379 HydrophobicContact CG1-CD1 4.31Å; I1284-L1383 HydrophobicContact CG2-CD2 4.33Å |
| 1285 | I | 72.9 | Confident | 69.9 | Low | 23.8 Ų | 23.8 | 39.4 Ų | 39.4 | 12% | 0.122 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 175.9 | -64.9 | 170.1 | 0 | 0 | 0 | 110 | N1281 T1287 L1288 A1289 L1371 F1451 H1455 Y1458 F1465 | N1281-I1285 HydrophobicContact CB-CD1 4.11Å; N1281-I1285 WeakPolarHBondContact O-CB 3.15Å; N1281-I1285 WeakPolarHBondContact O-CD1 3.3Å; N1281-I1285 VanDerWaalsContact O-CG1 3.24Å; N1281-I1285 WeakPolarHBondContact O-CG1 3.29Å; N1281-I1285 PolarHBondContact O-N 3.3Å; N1281-I1285 WeakPolarHBondContact OD1-CD1 3.37Å; N1281-I1285 WeakPolarHBondContact OD1-CG1 3.48Å; I1285-T1287 VanDerWaalsContact C-N 3.33Å; I1285-T1287 PolarHBondContact O-N 2.95Å; I1285-L1288 PolarHBondContact O-N 3.11Å; I1285-A1289 WeakPolarHBondContact O-CB 3.3Å; I1285-A1289 PolarHBondContact O-N 3Å; I1285-L1371 HydrophobicContact CG2-CD1 4.15Å; I1285-F1451 HydrophobicContact CB-CE2 4.47Å; I1285-F1451 HydrophobicContact CD1-CD1 4.39Å; I1285-F1451 HydrophobicContact CG1-CD1 4.06Å; I1285-F1451 HydrophobicContact CG1-CE1 4.18Å; I1285-F1451 HydrophobicContact CG2-CD2 4.31Å; I1285-F1451 HydrophobicContact CG2-CE2 3.48Å; I1285-F1451 VanDerWaalsContact CG2-CE2 3.44Å; I1285-F1451 HydrophobicContact CG2-CZ 4.14Å; I1285-H1455 VanDerWaalsContact CD1-CE1 3.47Å; I1285-H1455 WeakPolarHBondContact CD1-CE1 3.11Å; I1285-H1455 WeakPolarHBondContact CG1-NE2 3.42Å; I1285-Y1458 HydrophobicContact CD1-CD1 3.98Å; I1285-Y1458 HydrophobicContact CD1-CE1 3.92Å; I1285-F1465 HydrophobicContact CB-CZ 4.45Å; I1285-F1465 HydrophobicContact CG2-CE1 3.67Å; I1285-F1465 HydrophobicContact CG2-CE2 4.41Å; I1285-F1465 HydrophobicContact CG2-CZ 3.62Å |
| 1286 | A | 73.4 | Confident | 69.6 | Low | 1.6 Ų | 1.6 | 43.7 Ų | 43.7 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1282 L1283 I1284 A1289 F1290 L1307 W1310 F1465 I1469 | D1282-A1286 VanDerWaalsContact O-CB 3.26Å; D1282-A1286 WeakPolarHBondContact O-CB 3.38Å; D1282-A1286 PolarHBondContact O-N 3.13Å; L1283-A1286 PolarHBondContact O-N 2.88Å; I1284-A1286 VanDerWaalsContact C-N 3.29Å; I1284-A1286 PolarHBondContact O-N 3.03Å; A1286-A1289 PolarHBondContact O-N 3.14Å; A1286-F1290 HydrophobicContact CB-CD2 4.43Å; A1286-F1290 HydrophobicContact CB-CE2 4.34Å; A1286-F1290 WeakPolarHBondContact O-CB 3.25Å; A1286-F1290 WeakPolarHBondContact O-CD2 3.34Å; A1286-F1290 WeakPolarHBondContact O-CG 3.42Å; A1286-F1290 PolarHBondContact O-N 3.12Å; A1286-L1307 HydrophobicContact CB-CD2 4.17Å; A1286-W1310 HydrophobicContact CB-CD2 3.67Å; A1286-W1310 HydrophobicContact CB-CE3 3.92Å; A1286-W1310 HydrophobicContact CB-CG 4.2Å; A1286-W1310 HydrophobicContact CB-CH2 4.18Å; A1286-W1310 HydrophobicContact CB-CZ2 3.92Å; A1286-W1310 HydrophobicContact CB-CZ3 4.17Å; A1286-F1465 HydrophobicContact CB-CZ 4.35Å; A1286-I1469 HydrophobicContact CB-CD1 4.36Å |
| 1287 | T | 75.9 | Confident | 69.2 | Low | 1.6 Ų | 1.6 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.9 | 17.2 | 0 | 0 | 0 | 0 | 112.3 | L1283 I1284 I1285 A1289 F1290 L1291 L1303 L1307 L1379 L1383 | L1283-T1287 HydrophobicContact CD2-CG2 4.39Å; L1283-T1287 WeakPolarHBondContact O-CB 3.31Å; L1283-T1287 VanDerWaalsContact O-CG2 3.27Å; L1283-T1287 WeakPolarHBondContact O-CG2 3.4Å; L1283-T1287 PolarHBondContact O-N 3.06Å; L1283-T1287 PolarHBondContact O-OG1 3.02Å; I1284-T1287 VanDerWaalsContact CA-OG1 3.31Å; I1284-T1287 WeakPolarHBondContact CA-OG1 3.38Å; I1284-T1287 WeakPolarHBondContact O-CB 3.48Å; I1284-T1287 PolarHBondContact O-N 3.11Å; I1284-T1287 VanDerWaalsContact O-N 3.14Å; I1284-T1287 PolarHBondContact O-OG1 3.34Å; I1285-T1287 VanDerWaalsContact C-N 3.33Å; I1285-T1287 PolarHBondContact O-N 2.95Å; T1287-A1289 VanDerWaalsContact C-N 3.32Å; T1287-F1290 PolarHBondContact O-N 3.23Å; T1287-L1291 HydrophobicContact CG2-CD1 4.29Å; T1287-L1291 WeakPolarHBondContact O-CB 3.46Å; T1287-L1291 WeakPolarHBondContact O-CD1 3.44Å; T1287-L1291 VanDerWaalsContact O-CG 3.3Å; T1287-L1291 WeakPolarHBondContact O-CG 3.33Å; T1287-L1291 PolarHBondContact O-N 3.2Å; T1287-L1291 VanDerWaalsContact O-N 3.09Å; T1287-L1303 HydrophobicContact CG2-CD1 4.35Å; T1287-L1303 HydrophobicContact CG2-CD2 4.06Å; T1287-L1307 HydrophobicContact CG2-CD1 3.74Å; T1287-L1307 HydrophobicContact CG2-CD2 3.49Å; T1287-L1307 HydrophobicContact CG2-CG 4.1Å; T1287-L1307 WeakPolarHBondContact OG1-CD2 3.26Å; T1287-L1379 HydrophobicContact CG2-CD1 4.02Å; T1287-L1379 HydrophobicContact CG2-CD2 3.52Å; T1287-L1379 VanDerWaalsContact CG2-CD2 3.48Å; T1287-L1379 HydrophobicContact CG2-CG 4.36Å; T1287-L1383 HydrophobicContact CG2-CD1 3.52Å; T1287-L1383 VanDerWaalsContact CG2-CD1 3.49Å; T1287-L1383 WeakPolarHBondContact OG1-CD1 3.3Å |
| 1288 | L | 74.6 | Confident | 69.1 | Low | 9.8 Ų | 9.8 | 40.1 Ų | 40.1 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.8 | -67.1 | 173.6 | 0 | 0 | 0 | 110.6 | I1272 I1284 I1285 F1290 L1291 I1292 L1383 L1386 F1438 V1447 F1451 | I1272-L1288 HydrophobicContact CD1-CD1 4.17Å; I1272-L1288 HydrophobicContact CG1-CD1 4.46Å; I1284-L1288 HydrophobicContact CG2-CD1 3.92Å; I1284-L1288 HydrophobicContact CG2-CG 4.25Å; I1284-L1288 WeakPolarHBondContact O-CB 3.35Å; I1284-L1288 WeakPolarHBondContact O-CG 3.35Å; I1284-L1288 PolarHBondContact O-N 3.14Å; I1285-L1288 PolarHBondContact O-N 3.11Å; L1288-F1290 PolarHBondContact O-N 3.25Å; L1288-L1291 CarbonylContact O-C 3.53Å; L1288-L1291 PolarHBondContact O-N 3.07Å; L1288-L1291 VanDerWaalsContact O-N 3.1Å; L1288-I1292 HydrophobicContact CB-CD1 4.34Å; L1288-I1292 WeakPolarHBondContact O-CB 3.07Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.42Å; L1288-I1292 VanDerWaalsContact O-CG1 3.29Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.32Å; L1288-I1292 PolarHBondContact O-N 3.16Å; L1288-L1383 HydrophobicContact CD2-CD2 4.28Å; L1288-L1386 HydrophobicContact CD2-CD1 4.26Å; L1288-F1438 HydrophobicContact CD2-CE1 4.13Å; L1288-F1438 HydrophobicContact CD2-CZ 4.15Å; L1288-V1447 HydrophobicContact CB-CG1 4.35Å; L1288-V1447 HydrophobicContact CD1-CG1 4.1Å; L1288-V1447 HydrophobicContact CD2-CG1 4.27Å; L1288-V1447 HydrophobicContact CG-CG1 4.49Å; L1288-F1451 HydrophobicContact CD1-CE2 4.46Å |
| 1289 | A | 73.9 | Confident | 69.2 | Low | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1285 A1286 T1287 L1291 I1292 F1293 F1376 F1451 F1452 F1465 I1469 | I1285-A1289 WeakPolarHBondContact O-CB 3.3Å; I1285-A1289 PolarHBondContact O-N 3Å; A1286-A1289 PolarHBondContact O-N 3.14Å; T1287-A1289 VanDerWaalsContact C-N 3.32Å; A1289-L1291 VanDerWaalsContact C-N 3.31Å; A1289-L1291 PolarHBondContact O-N 3.32Å; A1289-I1292 PolarHBondContact O-N 3.25Å; A1289-F1293 HydrophobicContact CB-CD2 3.94Å; A1289-F1293 HydrophobicContact CB-CE2 3.96Å; A1289-F1293 VanDerWaalsContact O-CB 3.29Å; A1289-F1293 WeakPolarHBondContact O-CB 3.37Å; A1289-F1293 WeakPolarHBondContact O-CD2 3.4Å; A1289-F1293 WeakPolarHBondContact O-CG 3.19Å; A1289-F1293 PolarHBondContact O-N 3.17Å; A1289-F1376 HydrophobicContact CB-CE2 4.35Å; A1289-F1451 HydrophobicContact CB-CE2 3.83Å; A1289-F1451 HydrophobicContact CB-CZ 3.95Å; A1289-F1452 HydrophobicContact CB-CE1 4.1Å; A1289-F1452 HydrophobicContact CB-CZ 3.7Å; A1289-F1465 HydrophobicContact CB-CE1 4.16Å; A1289-F1465 HydrophobicContact CB-CZ 4.32Å; A1289-I1469 HydrophobicContact CB-CD1 3.62Å; A1289-I1469 HydrophobicContact CB-CG1 4.2Å; A1289-I1469 HydrophobicContact CB-CG2 4.21Å |
| 1290 | F | 76.7 | Confident | 69.3 | Low | 3.8 Ų | 3.8 | 35.4 Ų | 35.4 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.3 | -74.4 | -53.3 | 0 | 0 | 0 | 112.3 | A1286 T1287 L1288 I1292 Y1294 L1298 L1303 L1306 L1307 W1310 I1469 I1472 L1473 | A1286-F1290 HydrophobicContact CB-CD2 4.43Å; A1286-F1290 HydrophobicContact CB-CE2 4.34Å; A1286-F1290 WeakPolarHBondContact O-CB 3.25Å; A1286-F1290 WeakPolarHBondContact O-CD2 3.34Å; A1286-F1290 WeakPolarHBondContact O-CG 3.42Å; A1286-F1290 PolarHBondContact O-N 3.12Å; T1287-F1290 PolarHBondContact O-N 3.23Å; L1288-F1290 PolarHBondContact O-N 3.25Å; F1290-I1292 VanDerWaalsContact C-N 3.34Å; F1290-Y1294 VanDerWaalsContact O-CB 3.27Å; F1290-Y1294 WeakPolarHBondContact O-CB 3.25Å; F1290-Y1294 PolarHBondContact O-N 3.28Å; F1290-L1298 HydrophobicContact CB-CD1 4.12Å; F1290-L1298 VanDerWaalsContact O-CD1 3.29Å; F1290-L1298 WeakPolarHBondContact O-CD1 3.37Å; F1290-L1303 HydrophobicContact CB-CD1 4.02Å; F1290-L1303 HydrophobicContact CD2-CD1 4.42Å; F1290-L1303 HydrophobicContact CG-CD1 4.46Å; F1290-L1306 HydrophobicContact CB-CD1 4.43Å; F1290-L1306 HydrophobicContact CD1-CB 4.19Å; F1290-L1306 HydrophobicContact CD1-CD1 4.02Å; F1290-L1306 HydrophobicContact CD1-CD2 4.41Å; F1290-L1306 HydrophobicContact CD1-CG 4.42Å; F1290-L1306 HydrophobicContact CD2-CB 4.1Å; F1290-L1306 HydrophobicContact CE1-CB 4.09Å; F1290-L1306 HydrophobicContact CE1-CD1 4.42Å; F1290-L1306 HydrophobicContact CE1-CD2 4.19Å; F1290-L1306 HydrophobicContact CE1-CG 4.43Å; F1290-L1306 HydrophobicContact CE2-CB 4Å; F1290-L1306 WeakPolarHBondContact CE2-O 3.48Å; F1290-L1306 HydrophobicContact CG-CB 4.21Å; F1290-L1306 HydrophobicContact CG-CD1 4.26Å; F1290-L1306 HydrophobicContact CZ-CB 4Å; F1290-L1306 WeakPolarHBondContact CZ-O 3.48Å; F1290-L1307 HydrophobicContact CD2-CD2 4Å; F1290-L1307 HydrophobicContact CD2-CG 4.37Å; F1290-L1307 HydrophobicContact CE2-CD2 4.11Å; F1290-W1310 HydrophobicContact CE2-CB 4.02Å; F1290-W1310 HydrophobicContact CE2-CG 4.33Å; F1290-W1310 HydrophobicContact CZ-CB 4.05Å; F1290-W1310 HydrophobicContact CZ-CG 4.42Å; F1290-I1469 HydrophobicContact CD1-CD1 4.37Å; F1290-I1469 HydrophobicContact CD1-CG2 3.82Å; F1290-I1469 HydrophobicContact CD2-CD1 4.38Å; F1290-I1469 HydrophobicContact CE1-CB 4.45Å; F1290-I1469 HydrophobicContact CE1-CD1 3.86Å; F1290-I1469 HydrophobicContact CE1-CG1 4.43Å; F1290-I1469 HydrophobicContact CE1-CG2 3.8Å; F1290-I1469 HydrophobicContact CE2-CD1 3.85Å; F1290-I1469 HydrophobicContact CZ-CD1 3.56Å; F1290-I1469 HydrophobicContact CZ-CG1 4.5Å; F1290-I1472 HydrophobicContact CE1-CB 4.18Å; F1290-I1472 HydrophobicContact CE1-CG2 3.94Å; F1290-I1472 HydrophobicContact CZ-CB 4.33Å; F1290-I1472 HydrophobicContact CZ-CD1 4.14Å; F1290-I1472 HydrophobicContact CZ-CG2 3.93Å; F1290-L1473 HydrophobicContact CD1-CD1 4.42Å; F1290-L1473 HydrophobicContact CD1-CD2 3.73Å; F1290-L1473 HydrophobicContact CD1-CG 3.98Å; F1290-L1473 HydrophobicContact CE1-CD2 4.19Å; F1290-L1473 HydrophobicContact CE1-CG 4.19Å |
| 1291 | L | 71.9 | Confident | 69.1 | Low | 19.6 Ų | 19.6 | 32.8 Ų | 32.8 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.5 | -31.2 | 178 | -70.1 | 167.6 | 0 | 0 | 0 | 113.6 | T1287 L1288 A1289 L1298 L1303 L1334 I1337 M1387 L1436 F1438 | T1287-L1291 HydrophobicContact CG2-CD1 4.29Å; T1287-L1291 WeakPolarHBondContact O-CB 3.46Å; T1287-L1291 WeakPolarHBondContact O-CD1 3.44Å; T1287-L1291 VanDerWaalsContact O-CG 3.3Å; T1287-L1291 WeakPolarHBondContact O-CG 3.33Å; T1287-L1291 PolarHBondContact O-N 3.2Å; T1287-L1291 VanDerWaalsContact O-N 3.09Å; L1288-L1291 CarbonylContact O-C 3.53Å; L1288-L1291 PolarHBondContact O-N 3.07Å; L1288-L1291 VanDerWaalsContact O-N 3.1Å; A1289-L1291 VanDerWaalsContact C-N 3.31Å; A1289-L1291 PolarHBondContact O-N 3.32Å; L1291-L1298 HydrophobicContact CD2-CB 4.46Å; L1291-L1298 HydrophobicContact CD2-CD1 4.32Å; L1291-L1303 HydrophobicContact CD1-CD1 4.4Å; L1291-L1303 HydrophobicContact CD2-CD1 3.63Å; L1291-L1303 HydrophobicContact CD2-CD2 4.44Å; L1291-L1303 HydrophobicContact CG-CD1 3.72Å; L1291-L1334 HydrophobicContact CD1-CD2 4.39Å; L1291-I1337 HydrophobicContact CD1-CG2 4.4Å; L1291-M1387 HydrophobicContact CD1-CE 3.7Å; L1291-M1387 HydrophobicContact CD1-CG 4.34Å; L1291-M1387 HydrophobicContact CD1-SD 3.6Å; L1291-M1387 WeakPolarHBondContact CD1-SD 3.47Å; L1291-M1387 HydrophobicContact CD2-CE 3.65Å; L1291-M1387 VanDerWaalsContact CD2-CE 3.46Å; L1291-M1387 HydrophobicContact CD2-SD 4.4Å; L1291-M1387 HydrophobicContact CG-CE 4.04Å; L1291-L1436 HydrophobicContact CD2-CB 3.95Å; L1291-L1436 HydrophobicContact CD2-CD1 4.46Å; L1291-F1438 HydrophobicContact CB-CD2 4.39Å; L1291-F1438 HydrophobicContact CB-CE2 3.64Å; L1291-F1438 HydrophobicContact CB-CZ 3.97Å; L1291-F1438 HydrophobicContact CD1-CZ 4.36Å |
| 1292 | I | 70.1 | Confident | 69.2 | Low | 24 Ų | 24 | 32.3 Ų | 32.3 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.1 | -43.9 | 179.1 | -64.7 | 163.3 | 0 | 0 | 0 | 111.4 | L1288 A1289 F1290 Y1294 I1354 I1358 F1376 F1438 E1444 V1447 F1448 F1451 F1452 | L1288-I1292 HydrophobicContact CB-CD1 4.34Å; L1288-I1292 WeakPolarHBondContact O-CB 3.07Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.42Å; L1288-I1292 VanDerWaalsContact O-CG1 3.29Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.32Å; L1288-I1292 PolarHBondContact O-N 3.16Å; A1289-I1292 PolarHBondContact O-N 3.25Å; F1290-I1292 VanDerWaalsContact C-N 3.34Å; I1292-Y1294 VanDerWaalsContact C-N 3.33Å; I1292-Y1294 PolarHBondContact O-N 3.32Å; I1292-I1354 HydrophobicContact CD1-CG2 4.49Å; I1292-I1354 HydrophobicContact CG1-CG2 4.2Å; I1292-I1358 HydrophobicContact CD1-CD1 3.34Å; I1292-I1358 HydrophobicContact CG1-CD1 4.11Å; I1292-F1376 HydrophobicContact CB-CZ 4Å; I1292-F1376 HydrophobicContact CD1-CZ 4.45Å; I1292-F1376 HydrophobicContact CG2-CE1 4.09Å; I1292-F1376 HydrophobicContact CG2-CZ 3.56Å; I1292-F1438 HydrophobicContact CD1-CE2 4.44Å; I1292-F1438 HydrophobicContact CD1-CZ 4.34Å; I1292-F1438 HydrophobicContact CG1-CD2 4.45Å; I1292-F1438 HydrophobicContact CG1-CE2 3.76Å; I1292-F1438 VanDerWaalsContact CG1-CE2 3.46Å; I1292-F1438 HydrophobicContact CG1-CZ 3.85Å; I1292-E1444 HydrophobicContact CG1-CG 4.27Å; I1292-E1444 HydrophobicContact CG2-CG 4.31Å; I1292-V1447 HydrophobicContact CD1-CB 4.29Å; I1292-V1447 HydrophobicContact CD1-CG1 3.8Å; I1292-V1447 HydrophobicContact CG1-CG1 4.34Å; I1292-F1448 HydrophobicContact CD1-CB 4.46Å; I1292-F1448 HydrophobicContact CG2-CB 4.49Å; I1292-F1448 HydrophobicContact CG2-CD2 3.77Å; I1292-F1448 HydrophobicContact CG2-CE2 4.47Å; I1292-F1451 HydrophobicContact CD1-CB 4.41Å; I1292-F1451 HydrophobicContact CD1-CG 4.48Å; I1292-F1452 HydrophobicContact CD1-CD2 4.38Å; I1292-F1452 HydrophobicContact CD1-CE2 3.8Å |
| 1293 | F | 70.7 | Confident | 69.4 | Low | 29.2 Ų | 29.2 | 28.6 Ų | 28.6 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.8 | -22.1 | -172.5 | -70.9 | -56.8 | 0 | 0 | 0 | 113.5 | A1289 R1295 F1376 L1380 W1429 F1448 F1451 F1452 N1466 I1469 H1470 L1473 H1486 | A1289-F1293 HydrophobicContact CB-CD2 3.94Å; A1289-F1293 HydrophobicContact CB-CE2 3.96Å; A1289-F1293 VanDerWaalsContact O-CB 3.29Å; A1289-F1293 WeakPolarHBondContact O-CB 3.37Å; A1289-F1293 WeakPolarHBondContact O-CD2 3.4Å; A1289-F1293 WeakPolarHBondContact O-CG 3.19Å; A1289-F1293 PolarHBondContact O-N 3.17Å; F1293-R1295 PolarHBondContact O-N 2.8Å; F1293-R1295 VanDerWaalsContact O-N 3.15Å; F1293-F1376 HydrophobicContact CD1-CD1 4.42Å; F1293-F1376 AromaticContact CD1-CE1 3.62Å; F1293-F1376 HydrophobicContact CD1-CE1 3.62Å; F1293-F1376 AromaticContact CD1-CZ 3.77Å; F1293-F1376 HydrophobicContact CD1-CZ 3.77Å; F1293-F1376 HydrophobicContact CD2-CE1 4.13Å; F1293-F1376 AromaticContact CD2-CE2 3.78Å; F1293-F1376 HydrophobicContact CD2-CE2 3.78Å; F1293-F1376 AromaticContact CD2-CZ 3.47Å; F1293-F1376 HydrophobicContact CD2-CZ 3.47Å; F1293-F1376 VanDerWaalsContact CD2-CZ 3.47Å; F1293-F1376 AromaticContact CE1-CD1 3.32Å; F1293-F1376 HydrophobicContact CE1-CD1 3.32Å; F1293-F1376 HydrophobicContact CE1-CD2 4.47Å; F1293-F1376 AromaticContact CE1-CE1 2.89Å; F1293-F1376 HydrophobicContact CE1-CE1 2.89Å; F1293-F1376 HydrophobicContact CE1-CE2 4.14Å; F1293-F1376 HydrophobicContact CE1-CG 4.11Å; F1293-F1376 AromaticContact CE1-CZ 3.35Å; F1293-F1376 HydrophobicContact CE1-CZ 3.35Å; F1293-F1376 AromaticContact CE2-CD1 3.9Å; F1293-F1376 HydrophobicContact CE2-CD1 3.9Å; F1293-F1376 AromaticContact CE2-CD2 3.51Å; F1293-F1376 HydrophobicContact CE2-CD2 3.51Å; F1293-F1376 AromaticContact CE2-CE1 3.51Å; F1293-F1376 HydrophobicContact CE2-CE1 3.51Å; F1293-F1376 AromaticContact CE2-CE2 3.03Å; F1293-F1376 HydrophobicContact CE2-CE2 3.03Å; F1293-F1376 AromaticContact CE2-CG 3.9Å; F1293-F1376 HydrophobicContact CE2-CG 3.9Å; F1293-F1376 AromaticContact CE2-CZ 3.01Å; F1293-F1376 HydrophobicContact CE2-CZ 3.01Å; F1293-F1376 HydrophobicContact CG-CE1 4.19Å; F1293-F1376 AromaticContact CG-CZ 3.84Å; F1293-F1376 HydrophobicContact CG-CZ 3.84Å; F1293-F1376 HydrophobicContact CZ-CB 4.4Å; F1293-F1376 AromaticContact CZ-CD1 3.01Å; F1293-F1376 HydrophobicContact CZ-CD1 3.01Å; F1293-F1376 AromaticContact CZ-CD2 3.45Å; F1293-F1376 HydrophobicContact CZ-CD2 3.45Å; F1293-F1376 VanDerWaalsContact CZ-CD2 3.45Å; F1293-F1376 AromaticContact CZ-CE1 2.86Å; F1293-F1376 HydrophobicContact CZ-CE1 2.86Å; F1293-F1376 AromaticContact CZ-CE2 3.29Å; F1293-F1376 HydrophobicContact CZ-CE2 3.29Å; F1293-F1376 AromaticContact CZ-CG 3.31Å; F1293-F1376 HydrophobicContact CZ-CG 3.31Å; F1293-F1376 AromaticContact CZ-CZ 2.98Å; F1293-F1376 HydrophobicContact CZ-CZ 2.98Å; F1293-L1380 HydrophobicContact CD1-CD1 3.47Å; F1293-L1380 VanDerWaalsContact CD1-CD1 3.47Å; F1293-L1380 HydrophobicContact CD2-CD1 4.02Å; F1293-L1380 HydrophobicContact CE1-CD1 3.07Å; F1293-L1380 HydrophobicContact CE1-CG 4.5Å; F1293-L1380 HydrophobicContact CE2-CD1 3.7Å; F1293-L1380 HydrophobicContact CG-CD1 3.9Å; F1293-L1380 HydrophobicContact CZ-CB 4.39Å; F1293-L1380 HydrophobicContact CZ-CD1 3.16Å; F1293-L1380 HydrophobicContact CZ-CG 4.37Å; F1293-W1429 HydrophobicContact CB-CH2 3.37Å; F1293-W1429 HydrophobicContact CB-CZ2 3.77Å; F1293-W1429 HydrophobicContact CB-CZ3 4.02Å; F1293-W1429 HydrophobicContact CG-CH2 4.46Å; F1293-W1429 VanDerWaalsContact O-CZ2 3.24Å; F1293-W1429 WeakPolarHBondContact O-CZ2 3.28Å; F1293-F1448 HydrophobicContact CE1-CE2 4.17Å; F1293-F1451 HydrophobicContact CE2-CE1 4.3Å; F1293-F1451 HydrophobicContact CE2-CZ 4.49Å; F1293-F1451 HydrophobicContact CZ-CE1 4.32Å; F1293-F1452 HydrophobicContact CE2-CD1 4.07Å; F1293-F1452 AromaticContact CE2-CE1 3.68Å; F1293-F1452 HydrophobicContact CE2-CE1 3.68Å; F1293-F1452 HydrophobicContact CE2-CZ 4.04Å; F1293-F1452 AromaticContact CZ-CD1 3.74Å; F1293-F1452 HydrophobicContact CZ-CD1 3.74Å; F1293-F1452 AromaticContact CZ-CE1 3.85Å; F1293-F1452 HydrophobicContact CZ-CE1 3.85Å; F1293-F1452 HydrophobicContact CZ-CE2 4.43Å; F1293-F1452 HydrophobicContact CZ-CG 4.11Å; F1293-F1452 HydrophobicContact CZ-CZ 4.26Å; F1293-N1466 WeakPolarHBondContact CZ-OD1 3.41Å; F1293-I1469 HydrophobicContact CD2-CB 4.45Å; F1293-I1469 HydrophobicContact CD2-CG2 3.85Å; F1293-I1469 HydrophobicContact CE2-CD1 4.46Å; F1293-H1470 AromaticContact CD1-CE1 3.67Å; F1293-H1470 AromaticContact CD1-NE2 3.58Å; F1293-H1470 AromaticContact CE1-NE2 3.88Å; F1293-H1470 AromaticContact CG-CE1 3.8Å; F1293-H1470 AromaticContact CG-NE2 3.93Å; F1293-L1473 HydrophobicContact CB-CD1 3.91Å; F1293-H1486 PolarHBondContact O-CE1 3.18Å; F1293-H1486 VanDerWaalsContact O-CE1 3.24Å |
| 1294 | Y | 68.6 | Low | 69.3 | Low | 24.6 Ų | 24.6 | 29.3 Ų | 29.3 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | trans | -73.9 | 124.5 | 179.2 | -157.4 | -108.5 | 0 | 0 | 0 | 111 | F1290 I1292 H1296 L1298 L1306 K1425 W1429 L1473 C1477 H1486 | F1290-Y1294 VanDerWaalsContact O-CB 3.27Å; F1290-Y1294 WeakPolarHBondContact O-CB 3.25Å; F1290-Y1294 PolarHBondContact O-N 3.28Å; I1292-Y1294 VanDerWaalsContact C-N 3.33Å; I1292-Y1294 PolarHBondContact O-N 3.32Å; Y1294-H1296 VanDerWaalsContact C-N 3.25Å; Y1294-H1296 HydrophobicContact CD1-CB 4.1Å; Y1294-H1296 VanDerWaalsContact CD1-O 3.23Å; Y1294-H1296 WeakPolarHBondContact CD1-O 3.36Å; Y1294-H1296 HydrophobicContact CE1-CB 3.87Å; Y1294-H1296 PolarHBondContact O-N 3.07Å; Y1294-L1298 HydrophobicContact CD1-CB 4.32Å; Y1294-L1298 HydrophobicContact CD1-CD1 4.06Å; Y1294-L1298 VanDerWaalsContact CD1-CD1 3.45Å; Y1294-L1298 HydrophobicContact CD1-CD2 3.71Å; Y1294-L1298 VanDerWaalsContact CD1-CD2 3.43Å; Y1294-L1298 HydrophobicContact CD1-CG 3.69Å; Y1294-L1298 VanDerWaalsContact CD1-CG 3.41Å; Y1294-L1298 HydrophobicContact CD2-CD1 3.81Å; Y1294-L1298 HydrophobicContact CD2-CD2 3.94Å; Y1294-L1298 VanDerWaalsContact CD2-CD2 3.45Å; Y1294-L1298 HydrophobicContact CD2-CG 3.92Å; Y1294-L1298 VanDerWaalsContact CD2-CG 3.44Å; Y1294-L1298 HydrophobicContact CE1-CB 4.31Å; Y1294-L1298 HydrophobicContact CE1-CD1 3.46Å; Y1294-L1298 VanDerWaalsContact CE1-CD1 3.46Å; Y1294-L1298 HydrophobicContact CE1-CD2 3.69Å; Y1294-L1298 VanDerWaalsContact CE1-CD2 3.41Å; Y1294-L1298 HydrophobicContact CE1-CG 4.07Å; Y1294-L1298 HydrophobicContact CE2-CD1 4.15Å; Y1294-L1298 HydrophobicContact CE2-CD2 3.9Å; Y1294-L1298 HydrophobicContact CE2-CG 3.88Å; Y1294-L1298 HydrophobicContact CG-CD1 4.04Å; Y1294-L1298 HydrophobicContact CG-CD2 3.83Å; Y1294-L1298 HydrophobicContact CG-CG 3.72Å; Y1294-L1298 VanDerWaalsContact CG-CG 3.45Å; Y1294-L1306 HydrophobicContact CD2-CD1 4.34Å; Y1294-L1306 HydrophobicContact CE2-CD1 4.03Å; Y1294-K1425 HydrophobicContact CE1-CB 3.79Å; Y1294-K1425 HydrophobicContact CE1-CD 3.82Å; Y1294-K1425 HydrophobicContact CE1-CG 4.23Å; Y1294-K1425 WeakPolarHBondContact OH-CB 3.14Å; Y1294-K1425 WeakPolarHBondContact OH-CD 3.15Å; Y1294-W1429 AromaticContact CD1-NE1 3.88Å; Y1294-W1429 AromaticContact CD2-CE2 3.69Å; Y1294-W1429 HydrophobicContact CD2-CH2 4.24Å; Y1294-W1429 AromaticContact CD2-CZ2 3.26Å; Y1294-W1429 HydrophobicContact CD2-CZ2 3.26Å; Y1294-W1429 AromaticContact CD2-NE1 3.72Å; Y1294-W1429 HydrophobicContact CE2-CZ2 4.1Å; Y1294-W1429 AromaticContact CG-CE2 3.94Å; Y1294-W1429 AromaticContact CG-CZ2 3.66Å; Y1294-W1429 HydrophobicContact CG-CZ2 3.66Å; Y1294-W1429 AromaticContact CG-NE1 3.65Å; Y1294-L1473 HydrophobicContact CD2-CD2 3.71Å; Y1294-L1473 HydrophobicContact CE2-CD2 4.34Å; Y1294-C1477 WeakPolarHBondContact CE2-SG 3.44Å; Y1294-H1486 AromaticContact CD2-NE2 3.98Å | ||
| 1295 | R | 63.5 | Low | 69.2 | Low | 96.8 Ų | 96.8 | 31.1 Ų | 31.1 | 37% | 0.365 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -69.4 | -12.6 | -175.9 | -73.2 | 179.3 | 81.6 | -170.2 | 3.9 | 114.5 | F1293 L1428 G1432 D1481 D1482 Y1485 | F1293-R1295 PolarHBondContact O-N 2.8Å; F1293-R1295 VanDerWaalsContact O-N 3.15Å; R1295-L1428 PolarHBondContact NH1-O 2.62Å; R1295-G1432 VanDerWaalsContact NH2-CA 3.31Å; R1295-D1481 IonicContact CZ-OD2 3.72Å; R1295-D1481 IonicContact NH1-OD2 2.85Å; R1295-D1481 PolarHBondContact NH1-OD2 2.84Å; R1295-D1481 IonicContact NH2-OD2 3.83Å; R1295-D1482 WeakPolarHBondContact CD-OD1 3.31Å; R1295-D1482 IonicContact CZ-OD1 2.95Å; R1295-D1482 IonicContact NE-OD1 3.14Å; R1295-D1482 IonicContact NH1-OD1 2.75Å; R1295-D1482 PolarHBondContact NH1-OD1 3.49Å; R1295-Y1485 VanDerWaalsContact CD-CD1 3.43Å; R1295-Y1485 HydrophobicContact CG-CD1 3.97Å; R1295-Y1485 HydrophobicContact CG-CE1 3.83Å |
| 1296 | H | 60.7 | Low | 69.3 | Low | 96.4 Ų | 96.4 | 30.3 Ų | 30.3 | 45% | 0.446 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -123.6 | 173.3 | -179 | -67.6 | -38.9 | 0 | 0 | 0 | 110 | Y1294 L1298 D1482 | Y1294-H1296 VanDerWaalsContact C-N 3.25Å; Y1294-H1296 HydrophobicContact CD1-CB 4.1Å; Y1294-H1296 VanDerWaalsContact CD1-O 3.23Å; Y1294-H1296 WeakPolarHBondContact CD1-O 3.36Å; Y1294-H1296 HydrophobicContact CE1-CB 3.87Å; Y1294-H1296 PolarHBondContact O-N 3.07Å; H1296-L1298 PolarHBondContact O-N 3.17Å; H1296-L1298 VanDerWaalsContact O-N 3.09Å; H1296-D1482 IonicContact CD2-OD2 3.25Å; H1296-D1482 PolarHBondContact CD2-OD2 3.21Å; H1296-D1482 VanDerWaalsContact CD2-OD2 3.24Å; H1296-D1482 IonicContact NE2-OD1 3.39Å; H1296-D1482 IonicContact NE2-OD2 3.17Å; H1296-D1482 PolarHBondContact NE2-OD2 2.96Å |
| 1297 | S | 60.5 | Low | 69.4 | Low | 39.8 Ų | 39.8 | 30.2 Ų | 30.2 | 28% | 0.278 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | trans | -75 | 126 | 171.1 | 52.6 | 0 | 0 | 0 | 0 | 110 | K1425 N1435 L1436 | S1297-K1425 PolarHBondContact O-NZ 3.26Å; S1297-N1435 WeakPolarHBondContact CB-OD1 3.46Å; S1297-N1435 PolarHBondContact O-OD1 3.4Å; S1297-N1435 VanDerWaalsContact OG-CB 3.27Å; S1297-N1435 WeakPolarHBondContact OG-CB 3.3Å; S1297-N1435 PolarHBondContact OG-ND2 3.3Å; S1297-N1435 VanDerWaalsContact OG-ND2 3.15Å; S1297-N1435 PolarHBondContact OG-OD1 3.37Å; S1297-L1436 CarbonylContact C-O 3.51Å; S1297-L1436 WeakPolarHBondContact CA-O 3.42Å; S1297-L1436 WeakPolarHBondContact CB-O 3.35Å |
| 1298 | L | 65.1 | Low | 69.2 | Low | 5.2 Ų | 5.2 | 30.9 Ų | 30.9 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132 | 176.7 | -93.9 | 150.2 | 0 | 0 | 0 | 110.3 | F1290 L1291 Y1294 H1296 E1302 L1303 L1306 N1435 L1436 | F1290-L1298 HydrophobicContact CB-CD1 4.12Å; F1290-L1298 VanDerWaalsContact O-CD1 3.29Å; F1290-L1298 WeakPolarHBondContact O-CD1 3.37Å; L1291-L1298 HydrophobicContact CD2-CB 4.46Å; L1291-L1298 HydrophobicContact CD2-CD1 4.32Å; Y1294-L1298 HydrophobicContact CD1-CB 4.32Å; Y1294-L1298 HydrophobicContact CD1-CD1 4.06Å; Y1294-L1298 VanDerWaalsContact CD1-CD1 3.45Å; Y1294-L1298 HydrophobicContact CD1-CD2 3.71Å; Y1294-L1298 VanDerWaalsContact CD1-CD2 3.43Å; Y1294-L1298 HydrophobicContact CD1-CG 3.69Å; Y1294-L1298 VanDerWaalsContact CD1-CG 3.41Å; Y1294-L1298 HydrophobicContact CD2-CD1 3.81Å; Y1294-L1298 HydrophobicContact CD2-CD2 3.94Å; Y1294-L1298 VanDerWaalsContact CD2-CD2 3.45Å; Y1294-L1298 HydrophobicContact CD2-CG 3.92Å; Y1294-L1298 VanDerWaalsContact CD2-CG 3.44Å; Y1294-L1298 HydrophobicContact CE1-CB 4.31Å; Y1294-L1298 HydrophobicContact CE1-CD1 3.46Å; Y1294-L1298 VanDerWaalsContact CE1-CD1 3.46Å; Y1294-L1298 HydrophobicContact CE1-CD2 3.69Å; Y1294-L1298 VanDerWaalsContact CE1-CD2 3.41Å; Y1294-L1298 HydrophobicContact CE1-CG 4.07Å; Y1294-L1298 HydrophobicContact CE2-CD1 4.15Å; Y1294-L1298 HydrophobicContact CE2-CD2 3.9Å; Y1294-L1298 HydrophobicContact CE2-CG 3.88Å; Y1294-L1298 HydrophobicContact CG-CD1 4.04Å; Y1294-L1298 HydrophobicContact CG-CD2 3.83Å; Y1294-L1298 HydrophobicContact CG-CG 3.72Å; Y1294-L1298 VanDerWaalsContact CG-CG 3.45Å; H1296-L1298 PolarHBondContact O-N 3.17Å; H1296-L1298 VanDerWaalsContact O-N 3.09Å; L1298-E1302 HydrophobicContact CD1-CB 3.89Å; L1298-E1302 HydrophobicContact CD2-CB 3.85Å; L1298-E1302 HydrophobicContact CG-CB 4.09Å; L1298-L1303 HydrophobicContact CB-CB 4.44Å; L1298-L1303 HydrophobicContact CD1-CB 4.4Å; L1298-L1303 HydrophobicContact CD1-CD1 4.17Å; L1298-L1303 HydrophobicContact CD2-CB 3.58Å; L1298-L1303 HydrophobicContact CD2-CD1 3.56Å; L1298-L1303 HydrophobicContact CD2-CG 4.11Å; L1298-L1303 HydrophobicContact CG-CB 4.37Å; L1298-L1306 HydrophobicContact CD1-CD1 4.01Å; L1298-L1306 HydrophobicContact CD2-CD1 3.59Å; L1298-L1306 VanDerWaalsContact CD2-CD1 3.49Å; L1298-L1306 HydrophobicContact CG-CD1 4.38Å; L1298-N1435 CarbonylContact O-C 3.52Å; L1298-N1435 WeakPolarHBondContact O-CA 3.45Å; L1298-L1436 PolarHBondContact N-O 3.34Å; L1298-L1436 WeakPolarHBondContact O-CA 3.43Å; L1298-L1436 VanDerWaalsContact O-CB 3.28Å; L1298-L1436 WeakPolarHBondContact O-CB 3.29Å; L1298-L1436 VanDerWaalsContact O-CG 3.24Å; L1298-L1436 WeakPolarHBondContact O-CG 3.38Å; L1298-L1436 PolarHBondContact O-N 3.07Å |
| 1299 | S | 64.2 | Low | 69 | Low | 24.6 Ų | 24.6 | 32.8 Ų | 32.8 | 17% | 0.172 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 154.9 | 165.9 | 67 | 0 | 0 | 0 | 0 | 111.3 | K1301 E1302 L1303 E1434 | S1299-K1301 PolarHBondContact O-N 3.23Å; S1299-K1301 VanDerWaalsContact O-N 3.16Å; S1299-E1302 VanDerWaalsContact CB-OE2 3.25Å; S1299-E1302 WeakPolarHBondContact CB-OE2 3.28Å; S1299-E1302 PolarHBondContact N-OE2 2.97Å; S1299-E1302 PolarHBondContact O-N 3.1Å; S1299-E1302 VanDerWaalsContact O-N 3.1Å; S1299-E1302 VanDerWaalsContact OG-CB 3.29Å; S1299-E1302 WeakPolarHBondContact OG-CB 3.37Å; S1299-E1302 VanDerWaalsContact OG-CD 3.28Å; S1299-E1302 VanDerWaalsContact OG-CG 3.24Å; S1299-E1302 WeakPolarHBondContact OG-CG 3.38Å; S1299-E1302 PolarHBondContact OG-N 3.1Å; S1299-E1302 VanDerWaalsContact OG-N 3.12Å; S1299-E1302 PolarHBondContact OG-OE2 3.24Å; S1299-E1302 VanDerWaalsContact OG-OE2 3.1Å; S1299-L1303 WeakPolarHBondContact O-CB 3.43Å; S1299-L1303 PolarHBondContact O-N 3.23Å; S1299-E1434 CarbonylContact C-O 3.49Å; S1299-E1434 VanDerWaalsContact CA-O 3.3Å; S1299-E1434 WeakPolarHBondContact CA-O 3.37Å; S1299-E1434 WeakPolarHBondContact CB-O 3.48Å |
| 1300 | S | 63.8 | Low | 69 | Low | 24.6 Ų | 24.6 | 33.4 Ų | 33.4 | 17% | 0.172 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -33.3 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | L1304 W1331 F1376 A1433 E1434 | S1300-L1304 WeakPolarHBondContact O-CB 3.4Å; S1300-L1304 PolarHBondContact O-N 3.17Å; S1300-L1304 VanDerWaalsContact O-N 3.1Å; S1300-W1331 WeakPolarHBondContact O-CH2 3.41Å; S1300-W1331 WeakPolarHBondContact O-CZ2 3.39Å; S1300-F1376 VanDerWaalsContact O-CE1 3.29Å; S1300-F1376 WeakPolarHBondContact O-CE1 3.38Å; S1300-F1376 VanDerWaalsContact O-CZ 3.26Å; S1300-F1376 WeakPolarHBondContact O-CZ 3.34Å; S1300-A1433 VanDerWaalsContact CB-O 3.32Å; S1300-A1433 WeakPolarHBondContact CB-O 3.35Å; S1300-A1433 PolarHBondContact N-O 3.33Å; S1300-A1433 VanDerWaalsContact N-O 3.17Å; S1300-A1433 PolarHBondContact OG-O 2.9Å; S1300-E1434 PolarHBondContact N-O 3.37Å |
| 1301 | K | 62.7 | Low | 68.7 | Low | 102.4 Ų | 102.4 | 34.1 Ų | 34.1 | 45% | 0.445 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.5 | -44.5 | 174.6 | -81.2 | 178.8 | -176.1 | 171.9 | 0 | 112.5 | M658 I704 S1299 L1304 I1305 E1418 N1430 | M658-K1301 HydrophobicContact SD-CD 4.09Å; I704-K1301 PolarHBondContact O-NZ 3.49Å; S1299-K1301 PolarHBondContact O-N 3.23Å; S1299-K1301 VanDerWaalsContact O-N 3.16Å; K1301-L1304 PolarHBondContact O-N 3.08Å; K1301-I1305 HydrophobicContact CG-CD1 4.4Å; K1301-I1305 VanDerWaalsContact O-CG1 3.3Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.25Å; K1301-I1305 PolarHBondContact O-N 3.25Å; K1301-I1305 VanDerWaalsContact O-N 3.09Å; K1301-E1418 WeakPolarHBondContact CD-OE1 3.49Å; K1301-E1418 WeakPolarHBondContact CD-OE2 3.09Å; K1301-E1418 IonicContact NZ-OE1 3.67Å; K1301-E1418 PolarHBondContact NZ-OE1 2.99Å; K1301-E1418 IonicContact NZ-OE2 2.85Å; K1301-N1430 VanDerWaalsContact CE-CG 3.43Å; K1301-N1430 WeakPolarHBondContact CE-OD1 3.48Å |
| 1302 | E | 68.6 | Low | 68.5 | Low | 49.4 Ų | 49.4 | 35.6 Ų | 35.6 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 177.6 | -73.2 | 160.7 | 155 | 0 | 0 | 111.4 | L1298 S1299 L1304 I1305 L1306 L1422 K1425 | L1298-E1302 HydrophobicContact CD1-CB 3.89Å; L1298-E1302 HydrophobicContact CD2-CB 3.85Å; L1298-E1302 HydrophobicContact CG-CB 4.09Å; S1299-E1302 VanDerWaalsContact CB-OE2 3.25Å; S1299-E1302 WeakPolarHBondContact CB-OE2 3.28Å; S1299-E1302 PolarHBondContact N-OE2 2.97Å; S1299-E1302 PolarHBondContact O-N 3.1Å; S1299-E1302 VanDerWaalsContact O-N 3.1Å; S1299-E1302 VanDerWaalsContact OG-CB 3.29Å; S1299-E1302 WeakPolarHBondContact OG-CB 3.37Å; S1299-E1302 VanDerWaalsContact OG-CD 3.28Å; S1299-E1302 VanDerWaalsContact OG-CG 3.24Å; S1299-E1302 WeakPolarHBondContact OG-CG 3.38Å; S1299-E1302 PolarHBondContact OG-N 3.1Å; S1299-E1302 VanDerWaalsContact OG-N 3.12Å; S1299-E1302 PolarHBondContact OG-OE2 3.24Å; S1299-E1302 VanDerWaalsContact OG-OE2 3.1Å; E1302-L1304 VanDerWaalsContact C-N 3.32Å; E1302-L1304 PolarHBondContact O-N 2.9Å; E1302-I1305 WeakPolarHBondContact O-CB 3.41Å; E1302-I1305 PolarHBondContact O-N 3.09Å; E1302-I1305 VanDerWaalsContact O-N 3.14Å; E1302-L1306 WeakPolarHBondContact O-CB 3.44Å; E1302-L1306 VanDerWaalsContact O-CG 3.31Å; E1302-L1306 WeakPolarHBondContact O-CG 3.36Å; E1302-L1306 PolarHBondContact O-N 3.32Å; E1302-L1306 VanDerWaalsContact O-N 3.11Å; E1302-L1422 HydrophobicContact CB-CD1 3.53Å; E1302-L1422 HydrophobicContact CG-CD1 3.49Å; E1302-L1422 VanDerWaalsContact CG-CD1 3.49Å; E1302-K1425 WeakPolarHBondContact OE1-CE 3.17Å; E1302-K1425 IonicContact OE1-NZ 2.7Å; E1302-K1425 PolarHBondContact OE1-NZ 3.3Å; E1302-K1425 IonicContact OE2-NZ 3.95Å; E1302-K1425 PolarHBondContact OE2-NZ 3.28Å |
| 1303 | L | 73.8 | Confident | 68.3 | Low | 1.8 Ų | 1.8 | 36.9 Ų | 36.9 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.7 | -177 | 76.1 | 0 | 0 | 0 | 111.9 | T1287 F1290 L1291 L1298 S1299 I1305 L1306 L1307 W1331 F1376 L1380 L1436 | T1287-L1303 HydrophobicContact CG2-CD1 4.35Å; T1287-L1303 HydrophobicContact CG2-CD2 4.06Å; F1290-L1303 HydrophobicContact CB-CD1 4.02Å; F1290-L1303 HydrophobicContact CD2-CD1 4.42Å; F1290-L1303 HydrophobicContact CG-CD1 4.46Å; L1291-L1303 HydrophobicContact CD1-CD1 4.4Å; L1291-L1303 HydrophobicContact CD2-CD1 3.63Å; L1291-L1303 HydrophobicContact CD2-CD2 4.44Å; L1291-L1303 HydrophobicContact CG-CD1 3.72Å; L1298-L1303 HydrophobicContact CB-CB 4.44Å; L1298-L1303 HydrophobicContact CD1-CB 4.4Å; L1298-L1303 HydrophobicContact CD1-CD1 4.17Å; L1298-L1303 HydrophobicContact CD2-CB 3.58Å; L1298-L1303 HydrophobicContact CD2-CD1 3.56Å; L1298-L1303 HydrophobicContact CD2-CG 4.11Å; L1298-L1303 HydrophobicContact CG-CB 4.37Å; S1299-L1303 WeakPolarHBondContact O-CB 3.43Å; S1299-L1303 PolarHBondContact O-N 3.23Å; L1303-I1305 VanDerWaalsContact C-N 3.33Å; L1303-I1305 PolarHBondContact O-N 2.96Å; L1303-L1306 PolarHBondContact O-N 3.15Å; L1303-L1307 HydrophobicContact CD1-CD1 4.27Å; L1303-L1307 HydrophobicContact CD1-CG 4.29Å; L1303-L1307 HydrophobicContact CD2-CD1 3.54Å; L1303-L1307 HydrophobicContact CG-CD1 4.04Å; L1303-L1307 HydrophobicContact CG-CG 4.42Å; L1303-L1307 WeakPolarHBondContact O-CB 3.15Å; L1303-L1307 VanDerWaalsContact O-CG 3.29Å; L1303-L1307 WeakPolarHBondContact O-CG 3.32Å; L1303-L1307 PolarHBondContact O-N 3.2Å; L1303-W1331 HydrophobicContact CB-CH2 4.25Å; L1303-W1331 HydrophobicContact CD2-CH2 3.44Å; L1303-W1331 VanDerWaalsContact CD2-CH2 3.44Å; L1303-W1331 HydrophobicContact CD2-CZ2 4.15Å; L1303-W1331 HydrophobicContact CD2-CZ3 4.07Å; L1303-W1331 HydrophobicContact CG-CH2 4.48Å; L1303-F1376 HydrophobicContact CB-CE2 4.38Å; L1303-F1376 HydrophobicContact CB-CZ 4.23Å; L1303-F1376 HydrophobicContact CD2-CE2 4.01Å; L1303-F1376 HydrophobicContact CD2-CZ 4.13Å; L1303-F1376 HydrophobicContact CG-CE2 4.03Å; L1303-F1376 HydrophobicContact CG-CZ 4.24Å; L1303-L1380 HydrophobicContact CD2-CD2 4.01Å; L1303-L1436 HydrophobicContact CB-CD1 4.24Å; L1303-L1436 HydrophobicContact CD2-CD1 3.61Å; L1303-L1436 HydrophobicContact CG-CD1 4.49Å |
| 1304 | L | 70.6 | Confident | 68 | Low | 30.8 Ų | 30.8 | 37.7 Ų | 37.7 | 16% | 0.161 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.8 | -177.5 | 71.6 | 0 | 0 | 0 | 112.1 | S1300 K1301 E1302 L1307 N1308 W1326 W1331 L1369 L1371 F1376 | S1300-L1304 WeakPolarHBondContact O-CB 3.4Å; S1300-L1304 PolarHBondContact O-N 3.17Å; S1300-L1304 VanDerWaalsContact O-N 3.1Å; K1301-L1304 PolarHBondContact O-N 3.08Å; E1302-L1304 VanDerWaalsContact C-N 3.32Å; E1302-L1304 PolarHBondContact O-N 2.9Å; L1304-L1307 PolarHBondContact O-N 3.37Å; L1304-N1308 VanDerWaalsContact CD1-ND2 3.32Å; L1304-N1308 WeakPolarHBondContact CD1-ND2 3.41Å; L1304-N1308 VanDerWaalsContact O-CB 3.28Å; L1304-N1308 WeakPolarHBondContact O-CB 3.38Å; L1304-N1308 PolarHBondContact O-N 3.2Å; L1304-N1308 VanDerWaalsContact O-N 3.12Å; L1304-N1308 PolarHBondContact O-ND2 3.22Å; L1304-W1326 HydrophobicContact CD1-CB 3.58Å; L1304-W1326 HydrophobicContact CD1-CD2 3.85Å; L1304-W1326 HydrophobicContact CD1-CE3 4.36Å; L1304-W1326 HydrophobicContact CD1-CG 3.49Å; L1304-W1326 VanDerWaalsContact CD1-CG 3.49Å; L1304-W1326 HydrophobicContact CG-CG 4.33Å; L1304-W1331 HydrophobicContact CB-CH2 4.49Å; L1304-W1331 HydrophobicContact CB-CZ2 3.86Å; L1304-W1331 HydrophobicContact CD1-CZ2 3.48Å; L1304-W1331 VanDerWaalsContact CD1-CZ2 3.48Å; L1304-W1331 HydrophobicContact CG-CZ2 4.28Å; L1304-L1369 HydrophobicContact CD1-CD2 4.34Å; L1304-L1369 HydrophobicContact CD2-CD2 4.32Å; L1304-L1369 HydrophobicContact CG-CD2 4.32Å; L1304-L1371 HydrophobicContact CD1-CB 4.41Å; L1304-L1371 HydrophobicContact CD1-CD2 4.07Å; L1304-L1371 HydrophobicContact CD1-CG 4.42Å; L1304-F1376 HydrophobicContact CB-CD1 4.17Å; L1304-F1376 HydrophobicContact CB-CD2 4.36Å; L1304-F1376 HydrophobicContact CB-CE1 3.98Å; L1304-F1376 HydrophobicContact CB-CE2 4.29Å; L1304-F1376 HydrophobicContact CB-CG 4.4Å; L1304-F1376 HydrophobicContact CB-CZ 3.99Å; L1304-F1376 HydrophobicContact CD1-CB 3.97Å; L1304-F1376 HydrophobicContact CD1-CD1 4.13Å; L1304-F1376 HydrophobicContact CD1-CD2 4.05Å; L1304-F1376 HydrophobicContact CD1-CE1 4.42Å; L1304-F1376 HydrophobicContact CD1-CE2 4.49Å; L1304-F1376 HydrophobicContact CD1-CG 3.79Å; L1304-F1376 HydrophobicContact CD2-CD1 4.36Å; L1304-F1376 HydrophobicContact CG-CD1 4.42Å; L1304-F1376 HydrophobicContact CG-CE1 4.48Å; L1304-F1376 HydrophobicContact CG-CG 4.44Å |
| 1305 | I | 70.3 | Confident | 67.6 | Low | 40.2 Ų | 40.2 | 40.4 Ų | 40.4 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 176.2 | -67.2 | 163.7 | 0 | 0 | 0 | 110.1 | K1301 E1302 L1303 L1307 N1308 E1309 L1366 L1422 V1476 | K1301-I1305 HydrophobicContact CG-CD1 4.4Å; K1301-I1305 VanDerWaalsContact O-CG1 3.3Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.25Å; K1301-I1305 PolarHBondContact O-N 3.25Å; K1301-I1305 VanDerWaalsContact O-N 3.09Å; E1302-I1305 WeakPolarHBondContact O-CB 3.41Å; E1302-I1305 PolarHBondContact O-N 3.09Å; E1302-I1305 VanDerWaalsContact O-N 3.14Å; L1303-I1305 VanDerWaalsContact C-N 3.33Å; L1303-I1305 PolarHBondContact O-N 2.96Å; I1305-L1307 VanDerWaalsContact C-N 3.35Å; I1305-L1307 PolarHBondContact O-N 3.13Å; I1305-N1308 PolarHBondContact O-N 3.27Å; I1305-N1308 VanDerWaalsContact O-N 3.17Å; I1305-E1309 WeakPolarHBondContact O-CB 3.46Å; I1305-E1309 VanDerWaalsContact O-CG 3.23Å; I1305-E1309 WeakPolarHBondContact O-CG 3.35Å; I1305-E1309 PolarHBondContact O-N 3.03Å; I1305-L1366 HydrophobicContact CG1-CD1 4.01Å; I1305-L1366 HydrophobicContact CG2-CD1 4.42Å; I1305-L1422 HydrophobicContact CG2-CD2 4.26Å; I1305-V1476 HydrophobicContact CG2-CG1 4.11Å; I1305-V1476 HydrophobicContact CG2-CG2 4.38Å |
| 1306 | L | 75.2 | Confident | 67.1 | Low | 6.6 Ų | 6.6 | 40.1 Ų | 40.1 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 179.2 | -71.5 | 171.9 | 0 | 0 | 0 | 112.7 | F1290 Y1294 L1298 E1302 L1303 N1308 E1309 W1310 I1472 L1473 V1476 | F1290-L1306 HydrophobicContact CB-CD1 4.43Å; F1290-L1306 HydrophobicContact CD1-CB 4.19Å; F1290-L1306 HydrophobicContact CD1-CD1 4.02Å; F1290-L1306 HydrophobicContact CD1-CD2 4.41Å; F1290-L1306 HydrophobicContact CD1-CG 4.42Å; F1290-L1306 HydrophobicContact CD2-CB 4.1Å; F1290-L1306 HydrophobicContact CE1-CB 4.09Å; F1290-L1306 HydrophobicContact CE1-CD1 4.42Å; F1290-L1306 HydrophobicContact CE1-CD2 4.19Å; F1290-L1306 HydrophobicContact CE1-CG 4.43Å; F1290-L1306 HydrophobicContact CE2-CB 4Å; F1290-L1306 WeakPolarHBondContact CE2-O 3.48Å; F1290-L1306 HydrophobicContact CG-CB 4.21Å; F1290-L1306 HydrophobicContact CG-CD1 4.26Å; F1290-L1306 HydrophobicContact CZ-CB 4Å; F1290-L1306 WeakPolarHBondContact CZ-O 3.48Å; Y1294-L1306 HydrophobicContact CD2-CD1 4.34Å; Y1294-L1306 HydrophobicContact CE2-CD1 4.03Å; L1298-L1306 HydrophobicContact CD1-CD1 4.01Å; L1298-L1306 HydrophobicContact CD2-CD1 3.59Å; L1298-L1306 VanDerWaalsContact CD2-CD1 3.49Å; L1298-L1306 HydrophobicContact CG-CD1 4.38Å; E1302-L1306 WeakPolarHBondContact O-CB 3.44Å; E1302-L1306 VanDerWaalsContact O-CG 3.31Å; E1302-L1306 WeakPolarHBondContact O-CG 3.36Å; E1302-L1306 PolarHBondContact O-N 3.32Å; E1302-L1306 VanDerWaalsContact O-N 3.11Å; L1303-L1306 PolarHBondContact O-N 3.15Å; L1306-N1308 VanDerWaalsContact C-N 3.32Å; L1306-N1308 PolarHBondContact O-N 3.42Å; L1306-E1309 PolarHBondContact O-N 3.12Å; L1306-W1310 WeakPolarHBondContact O-CB 3.33Å; L1306-W1310 PolarHBondContact O-N 3.15Å; L1306-I1472 HydrophobicContact CD2-CG2 3.78Å; L1306-L1473 HydrophobicContact CD1-CD2 3.68Å; L1306-L1473 HydrophobicContact CD2-CD2 3.81Å; L1306-L1473 HydrophobicContact CG-CD2 4.43Å; L1306-V1476 HydrophobicContact CD2-CB 3.73Å; L1306-V1476 HydrophobicContact CD2-CG1 3.9Å; L1306-V1476 HydrophobicContact CD2-CG2 3.85Å; L1306-V1476 HydrophobicContact CG-CB 4.49Å; L1306-V1476 HydrophobicContact CG-CG1 4.34Å |
| 1307 | L | 75.1 | Confident | 66.7 | Low | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 177.2 | -72 | 169.4 | 0 | 0 | 0 | 112.6 | L1283 A1286 T1287 F1290 L1303 L1304 I1305 E1309 W1310 L1311 L1371 F1376 L1379 | L1283-L1307 HydrophobicContact CD1-CD2 4.23Å; A1286-L1307 HydrophobicContact CB-CD2 4.17Å; T1287-L1307 HydrophobicContact CG2-CD1 3.74Å; T1287-L1307 HydrophobicContact CG2-CD2 3.49Å; T1287-L1307 HydrophobicContact CG2-CG 4.1Å; T1287-L1307 WeakPolarHBondContact OG1-CD2 3.26Å; F1290-L1307 HydrophobicContact CD2-CD2 4Å; F1290-L1307 HydrophobicContact CD2-CG 4.37Å; F1290-L1307 HydrophobicContact CE2-CD2 4.11Å; L1303-L1307 HydrophobicContact CD1-CD1 4.27Å; L1303-L1307 HydrophobicContact CD1-CG 4.29Å; L1303-L1307 HydrophobicContact CD2-CD1 3.54Å; L1303-L1307 HydrophobicContact CG-CD1 4.04Å; L1303-L1307 HydrophobicContact CG-CG 4.42Å; L1303-L1307 WeakPolarHBondContact O-CB 3.15Å; L1303-L1307 VanDerWaalsContact O-CG 3.29Å; L1303-L1307 WeakPolarHBondContact O-CG 3.32Å; L1303-L1307 PolarHBondContact O-N 3.2Å; L1304-L1307 PolarHBondContact O-N 3.37Å; I1305-L1307 VanDerWaalsContact C-N 3.35Å; I1305-L1307 PolarHBondContact O-N 3.13Å; L1307-E1309 VanDerWaalsContact C-N 3.27Å; L1307-E1309 PolarHBondContact O-N 2.93Å; L1307-W1310 PolarHBondContact O-N 3.16Å; L1307-L1311 WeakPolarHBondContact O-CB 3.42Å; L1307-L1311 VanDerWaalsContact O-CG 3.31Å; L1307-L1311 WeakPolarHBondContact O-CG 3.39Å; L1307-L1311 PolarHBondContact O-N 3.29Å; L1307-L1371 HydrophobicContact CB-CD2 4.27Å; L1307-L1371 HydrophobicContact CD1-CD2 4.12Å; L1307-F1376 HydrophobicContact CD1-CD2 4.02Å; L1307-F1376 HydrophobicContact CD1-CE2 3.81Å; L1307-L1379 HydrophobicContact CD1-CD2 4.39Å |
| 1308 | N | 72.9 | Confident | 66 | Low | 14.6 Ų | 14.6 | 44.9 Ų | 44.9 | 8% | 0.078 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.1 | -135.1 | 25 | 0 | 0 | 0 | 111.4 | L1304 I1305 L1306 W1310 L1311 I1312 W1326 L1366 Q1368 L1369 H1370 L1371 | L1304-N1308 VanDerWaalsContact CD1-ND2 3.32Å; L1304-N1308 WeakPolarHBondContact CD1-ND2 3.41Å; L1304-N1308 VanDerWaalsContact O-CB 3.28Å; L1304-N1308 WeakPolarHBondContact O-CB 3.38Å; L1304-N1308 PolarHBondContact O-N 3.2Å; L1304-N1308 VanDerWaalsContact O-N 3.12Å; L1304-N1308 PolarHBondContact O-ND2 3.22Å; I1305-N1308 PolarHBondContact O-N 3.27Å; I1305-N1308 VanDerWaalsContact O-N 3.17Å; L1306-N1308 VanDerWaalsContact C-N 3.32Å; L1306-N1308 PolarHBondContact O-N 3.42Å; N1308-W1310 VanDerWaalsContact C-N 3.34Å; N1308-W1310 PolarHBondContact O-N 3.26Å; N1308-L1311 WeakPolarHBondContact O-CB 3.43Å; N1308-L1311 PolarHBondContact O-N 3.32Å; N1308-I1312 WeakPolarHBondContact O-CD1 3.3Å; N1308-I1312 VanDerWaalsContact O-CG1 3.26Å; N1308-I1312 WeakPolarHBondContact O-CG1 3.41Å; N1308-I1312 PolarHBondContact O-N 3.09Å; N1308-W1326 WeakPolarHBondContact OD1-CZ2 3.24Å; N1308-W1326 PolarHBondContact OD1-NE1 2.86Å; N1308-L1366 HydrophobicContact CB-CD2 3.82Å; N1308-Q1368 PolarHBondContact ND2-O 3.12Å; N1308-L1369 HydrophobicContact CB-CD2 4.33Å; N1308-L1369 WeakPolarHBondContact OD1-CA 3.45Å; N1308-H1370 PolarHBondContact OD1-N 3.23Å; N1308-L1371 PolarHBondContact OD1-N 3.23Å |
| 1309 | E | 69.9 | Low | 64.7 | Low | 50 Ų | 50 | 51.2 Ų | 51.2 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.9 | -72.6 | -60.6 | 154.8 | 0 | 0 | 112.1 | I1305 L1306 L1307 L1311 I1312 I1313 N1364 F1390 I1472 V1476 | I1305-E1309 WeakPolarHBondContact O-CB 3.46Å; I1305-E1309 VanDerWaalsContact O-CG 3.23Å; I1305-E1309 WeakPolarHBondContact O-CG 3.35Å; I1305-E1309 PolarHBondContact O-N 3.03Å; L1306-E1309 PolarHBondContact O-N 3.12Å; L1307-E1309 VanDerWaalsContact C-N 3.27Å; L1307-E1309 PolarHBondContact O-N 2.93Å; E1309-L1311 VanDerWaalsContact C-N 3.33Å; E1309-L1311 PolarHBondContact O-N 3.33Å; E1309-I1312 PolarHBondContact O-N 2.93Å; E1309-I1313 WeakPolarHBondContact O-CD1 3.47Å; E1309-I1313 WeakPolarHBondContact O-CG1 3.44Å; E1309-I1313 PolarHBondContact O-N 3.23Å; E1309-N1364 VanDerWaalsContact OE1-CB 3.29Å; E1309-N1364 WeakPolarHBondContact OE1-CB 3.48Å; E1309-N1364 PolarHBondContact OE1-ND2 3.2Å; E1309-N1364 PolarHBondContact OE2-ND2 3.31Å; E1309-F1390 HydrophobicContact CB-CE1 3.83Å; E1309-F1390 HydrophobicContact CB-CE2 3.78Å; E1309-F1390 HydrophobicContact CB-CZ 3.18Å; E1309-F1390 HydrophobicContact CG-CE1 3.38Å; E1309-F1390 HydrophobicContact CG-CE2 4.31Å; E1309-F1390 HydrophobicContact CG-CZ 3.3Å; E1309-F1390 WeakPolarHBondContact OE1-CE1 3.46Å; E1309-F1390 WeakPolarHBondContact OE2-CE1 3.25Å; E1309-F1390 WeakPolarHBondContact OE2-CZ 3.32Å; E1309-I1472 HydrophobicContact CB-CG2 4.15Å; E1309-V1476 HydrophobicContact CG-CG2 4.32Å |
| 1310 | W | 73.7 | Confident | 63.5 | Low | 16.4 Ų | 16.4 | 59.6 Ų | 59.6 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.9 | 179.1 | 84.4 | 0 | 0 | 0 | 112.6 | D1282 L1283 A1286 F1290 L1306 L1307 N1308 I1313 T1314 F1465 I1469 I1472 | D1282-W1310 VanDerWaalsContact C-CH2 3.45Å; D1282-W1310 HydrophobicContact CB-CH2 3.53Å; D1282-W1310 HydrophobicContact CB-CZ2 3.96Å; D1282-W1310 VanDerWaalsContact O-CH2 3.28Å; D1282-W1310 WeakPolarHBondContact O-CH2 3.32Å; D1282-W1310 VanDerWaalsContact O-CZ2 3.25Å; D1282-W1310 WeakPolarHBondContact O-CZ2 3.4Å; L1283-W1310 HydrophobicContact CB-CZ3 4.3Å; L1283-W1310 HydrophobicContact CD1-CZ3 4.19Å; L1283-W1310 HydrophobicContact CG-CZ3 4.5Å; A1286-W1310 HydrophobicContact CB-CD2 3.67Å; A1286-W1310 HydrophobicContact CB-CE3 3.92Å; A1286-W1310 HydrophobicContact CB-CG 4.2Å; A1286-W1310 HydrophobicContact CB-CH2 4.18Å; A1286-W1310 HydrophobicContact CB-CZ2 3.92Å; A1286-W1310 HydrophobicContact CB-CZ3 4.17Å; F1290-W1310 HydrophobicContact CE2-CB 4.02Å; F1290-W1310 HydrophobicContact CE2-CG 4.33Å; F1290-W1310 HydrophobicContact CZ-CB 4.05Å; F1290-W1310 HydrophobicContact CZ-CG 4.42Å; L1306-W1310 WeakPolarHBondContact O-CB 3.33Å; L1306-W1310 PolarHBondContact O-N 3.15Å; L1307-W1310 PolarHBondContact O-N 3.16Å; N1308-W1310 VanDerWaalsContact C-N 3.34Å; N1308-W1310 PolarHBondContact O-N 3.26Å; W1310-I1313 PolarHBondContact O-N 3.26Å; W1310-T1314 HydrophobicContact CD2-CG2 4.16Å; W1310-T1314 HydrophobicContact CG-CG2 4.46Å; W1310-T1314 HydrophobicContact CH2-CG2 4.3Å; W1310-T1314 HydrophobicContact CZ2-CG2 3.85Å; W1310-T1314 WeakPolarHBondContact O-CB 3.28Å; W1310-T1314 WeakPolarHBondContact O-CG2 3.33Å; W1310-T1314 PolarHBondContact O-N 3.07Å; W1310-T1314 PolarHBondContact O-OG1 3.12Å; W1310-F1465 HydrophobicContact CZ2-CE2 4.09Å; W1310-F1465 AromaticContact NE1-CE2 3.77Å; W1310-I1469 HydrophobicContact CG-CD1 4.5Å; W1310-I1472 HydrophobicContact CB-CD1 3.87Å; W1310-I1472 HydrophobicContact CG-CD1 4.26Å |
| 1311 | L | 71.3 | Confident | 62 | Low | 18.8 Ų | 18.8 | 63.6 Ų | 63.6 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.1 | -81.3 | 164.8 | 0 | 0 | 0 | 112.2 | L1283 L1307 N1308 E1309 I1313 T1314 Q1315 W1326 H1370 L1371 | L1283-L1311 HydrophobicContact CD1-CD1 4.09Å; L1283-L1311 HydrophobicContact CD1-CD2 4.14Å; L1283-L1311 HydrophobicContact CD1-CG 4.27Å; L1307-L1311 WeakPolarHBondContact O-CB 3.42Å; L1307-L1311 VanDerWaalsContact O-CG 3.31Å; L1307-L1311 WeakPolarHBondContact O-CG 3.39Å; L1307-L1311 PolarHBondContact O-N 3.29Å; N1308-L1311 WeakPolarHBondContact O-CB 3.43Å; N1308-L1311 PolarHBondContact O-N 3.32Å; E1309-L1311 VanDerWaalsContact C-N 3.33Å; E1309-L1311 PolarHBondContact O-N 3.33Å; L1311-I1313 VanDerWaalsContact C-N 3.31Å; L1311-I1313 PolarHBondContact O-N 3.38Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.27Å; L1311-T1314 PolarHBondContact O-N 2.76Å; L1311-T1314 PolarHBondContact O-OG1 3.17Å; L1311-T1314 VanDerWaalsContact O-OG1 3.09Å; L1311-Q1315 HydrophobicContact CD2-CG 4.5Å; L1311-Q1315 VanDerWaalsContact O-CB 3.26Å; L1311-Q1315 WeakPolarHBondContact O-CB 3.37Å; L1311-Q1315 VanDerWaalsContact O-CG 3.25Å; L1311-Q1315 WeakPolarHBondContact O-CG 3.4Å; L1311-Q1315 PolarHBondContact O-N 3.04Å; L1311-Q1315 VanDerWaalsContact O-N 3.07Å; L1311-W1326 HydrophobicContact CD1-CH2 4.05Å; L1311-W1326 HydrophobicContact CD1-CZ2 3.94Å; L1311-H1370 HydrophobicContact CB-CB 4.27Å; L1311-H1370 HydrophobicContact CD1-CB 4.23Å; L1311-L1371 HydrophobicContact CD1-CB 3.92Å; L1311-L1371 HydrophobicContact CD1-CD1 4.33Å |
| 1312 | I | 67.4 | Low | 60.7 | Low | 50 Ų | 50 | 63.3 Ų | 63.3 | 26% | 0.256 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.8 | -69.8 | 162.8 | 0 | 0 | 0 | 110.4 | N1308 E1309 N1316 L1366 H1370 | N1308-I1312 WeakPolarHBondContact O-CD1 3.3Å; N1308-I1312 VanDerWaalsContact O-CG1 3.26Å; N1308-I1312 WeakPolarHBondContact O-CG1 3.41Å; N1308-I1312 PolarHBondContact O-N 3.09Å; E1309-I1312 PolarHBondContact O-N 2.93Å; I1312-N1316 VanDerWaalsContact CG2-ND2 3.35Å; I1312-N1316 WeakPolarHBondContact CG2-ND2 3.45Å; I1312-N1316 VanDerWaalsContact O-CB 3.31Å; I1312-N1316 WeakPolarHBondContact O-CB 3.4Å; I1312-N1316 PolarHBondContact O-N 3.11Å; I1312-N1316 PolarHBondContact O-ND2 3.1Å; I1312-N1316 VanDerWaalsContact O-ND2 3.1Å; I1312-L1366 HydrophobicContact CD1-CD2 4.49Å; I1312-H1370 WeakPolarHBondContact CG1-CD2 3.41Å; I1312-H1370 WeakPolarHBondContact CG1-NE2 3.41Å |
| 1313 | I | 65.1 | Low | 59.1 | Low | 52.6 Ų | 52.6 | 69.2 Ų | 69.2 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | -179.1 | -70 | 161.7 | 0 | 0 | 0 | 111.5 | E1309 W1310 L1311 Q1315 N1316 I1317 L1386 F1390 I1472 | E1309-I1313 WeakPolarHBondContact O-CD1 3.47Å; E1309-I1313 WeakPolarHBondContact O-CG1 3.44Å; E1309-I1313 PolarHBondContact O-N 3.23Å; W1310-I1313 PolarHBondContact O-N 3.26Å; L1311-I1313 VanDerWaalsContact C-N 3.31Å; L1311-I1313 PolarHBondContact O-N 3.38Å; I1313-Q1315 PolarHBondContact O-N 3.23Å; I1313-N1316 PolarHBondContact O-N 2.98Å; I1313-I1317 HydrophobicContact CG2-CD1 4.23Å; I1313-I1317 WeakPolarHBondContact O-CD1 3.48Å; I1313-I1317 VanDerWaalsContact O-CG1 3.32Å; I1313-I1317 WeakPolarHBondContact O-CG1 3.37Å; I1313-I1317 PolarHBondContact O-N 3.05Å; I1313-I1317 VanDerWaalsContact O-N 3.13Å; I1313-L1386 HydrophobicContact CB-CD1 4.42Å; I1313-L1386 HydrophobicContact CB-CD2 4.13Å; I1313-L1386 HydrophobicContact CD1-CB 4Å; I1313-L1386 HydrophobicContact CD1-CD1 4.12Å; I1313-L1386 HydrophobicContact CD1-CD2 3.59Å; I1313-L1386 HydrophobicContact CD1-CG 4.05Å; I1313-L1386 HydrophobicContact CG1-CD2 3.82Å; I1313-L1386 HydrophobicContact CG2-CD1 3.48Å; I1313-L1386 VanDerWaalsContact CG2-CD1 3.48Å; I1313-L1386 HydrophobicContact CG2-CD2 3.24Å; I1313-L1386 HydrophobicContact CG2-CG 3.9Å; I1313-F1390 HydrophobicContact CD1-CD2 4.27Å; I1313-F1390 HydrophobicContact CD1-CE2 3.36Å; I1313-F1390 HydrophobicContact CD1-CZ 3.97Å; I1313-I1472 HydrophobicContact CD1-CD1 3.76Å; I1313-I1472 HydrophobicContact CD1-CG1 3.56Å; I1313-I1472 VanDerWaalsContact CD1-CG1 3.47Å |
| 1314 | T | 64.7 | Low | 57.4 | Low | 45.8 Ų | 45.8 | 72.9 Ų | 72.9 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.5 | -33.4 | -176.8 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | W1310 L1311 I1317 N1318 | W1310-T1314 HydrophobicContact CD2-CG2 4.16Å; W1310-T1314 HydrophobicContact CG-CG2 4.46Å; W1310-T1314 HydrophobicContact CH2-CG2 4.3Å; W1310-T1314 HydrophobicContact CZ2-CG2 3.85Å; W1310-T1314 WeakPolarHBondContact O-CB 3.28Å; W1310-T1314 WeakPolarHBondContact O-CG2 3.33Å; W1310-T1314 PolarHBondContact O-N 3.07Å; W1310-T1314 PolarHBondContact O-OG1 3.12Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.27Å; L1311-T1314 PolarHBondContact O-N 2.76Å; L1311-T1314 PolarHBondContact O-OG1 3.17Å; L1311-T1314 VanDerWaalsContact O-OG1 3.09Å; T1314-I1317 PolarHBondContact O-N 3.21Å; T1314-N1318 PolarHBondContact O-ND2 2.82Å |
| 1315 | Q | 61.2 | Low | 55.9 | Low | 81.4 Ų | 81.4 | 76.6 Ų | 76.6 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -76.7 | -33.5 | 177 | -70.3 | 179.5 | 13.2 | 0 | 0 | 112.5 | L1311 I1313 I1317 N1318 H1370 | L1311-Q1315 HydrophobicContact CD2-CG 4.5Å; L1311-Q1315 VanDerWaalsContact O-CB 3.26Å; L1311-Q1315 WeakPolarHBondContact O-CB 3.37Å; L1311-Q1315 VanDerWaalsContact O-CG 3.25Å; L1311-Q1315 WeakPolarHBondContact O-CG 3.4Å; L1311-Q1315 PolarHBondContact O-N 3.04Å; L1311-Q1315 VanDerWaalsContact O-N 3.07Å; I1313-Q1315 PolarHBondContact O-N 3.23Å; Q1315-I1317 VanDerWaalsContact C-N 3.29Å; Q1315-I1317 HydrophobicContact CB-CD1 3.63Å; Q1315-I1317 HydrophobicContact CB-CG1 3.71Å; Q1315-I1317 WeakPolarHBondContact O-CG1 3.38Å; Q1315-I1317 PolarHBondContact O-N 3.12Å; Q1315-I1317 VanDerWaalsContact O-N 3.11Å; Q1315-I1317 VanDerWaalsContact OE1-CD1 3.28Å; Q1315-N1318 WeakPolarHBondContact O-CB 3.02Å; Q1315-N1318 PolarHBondContact O-N 3.18Å; Q1315-N1318 VanDerWaalsContact O-N 3.12Å; Q1315-H1370 PolarHBondContact OE1-CE1 3.2Å; Q1315-H1370 VanDerWaalsContact OE1-CE1 3.26Å; Q1315-H1370 PolarHBondContact OE1-ND1 3.18Å |
| 1316 | N | 53 | Low | 54.7 | Low | 90 Ų | 90 | 80 Ų | 80 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.4 | -9.7 | 178.9 | -81.9 | -27.8 | 0 | 0 | 0 | 114 | I1312 I1313 N1318 E1319 | I1312-N1316 VanDerWaalsContact CG2-ND2 3.35Å; I1312-N1316 WeakPolarHBondContact CG2-ND2 3.45Å; I1312-N1316 VanDerWaalsContact O-CB 3.31Å; I1312-N1316 WeakPolarHBondContact O-CB 3.4Å; I1312-N1316 PolarHBondContact O-N 3.11Å; I1312-N1316 PolarHBondContact O-ND2 3.1Å; I1312-N1316 VanDerWaalsContact O-ND2 3.1Å; I1313-N1316 PolarHBondContact O-N 2.98Å; N1316-N1318 PolarHBondContact O-N 3.3Å; N1316-N1318 VanDerWaalsContact O-N 3.08Å; N1316-E1319 CarbonylContact O-C 3.42Å; N1316-E1319 PolarHBondContact O-N 2.8Å; N1316-E1319 VanDerWaalsContact O-O 3.14Å |
| 1317 | I | 51.8 | Low | 53.1 | Low | 100.8 Ų | 100.8 | 87.2 Ų | 87.2 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73 | -14 | 177.4 | -67.6 | 166.4 | 0 | 0 | 0 | 111.2 | I1313 T1314 Q1315 E1319 S1321 I1322 I1324 | I1313-I1317 HydrophobicContact CG2-CD1 4.23Å; I1313-I1317 WeakPolarHBondContact O-CD1 3.48Å; I1313-I1317 VanDerWaalsContact O-CG1 3.32Å; I1313-I1317 WeakPolarHBondContact O-CG1 3.37Å; I1313-I1317 PolarHBondContact O-N 3.05Å; I1313-I1317 VanDerWaalsContact O-N 3.13Å; T1314-I1317 PolarHBondContact O-N 3.21Å; Q1315-I1317 VanDerWaalsContact C-N 3.29Å; Q1315-I1317 HydrophobicContact CB-CD1 3.63Å; Q1315-I1317 HydrophobicContact CB-CG1 3.71Å; Q1315-I1317 WeakPolarHBondContact O-CG1 3.38Å; Q1315-I1317 PolarHBondContact O-N 3.12Å; Q1315-I1317 VanDerWaalsContact O-N 3.11Å; Q1315-I1317 VanDerWaalsContact OE1-CD1 3.28Å; I1317-E1319 PolarHBondContact O-N 3.24Å; I1317-S1321 VanDerWaalsContact CG2-OG 3.27Å; I1317-S1321 WeakPolarHBondContact CG2-OG 3.35Å; I1317-I1322 HydrophobicContact CB-CD1 3.77Å; I1317-I1322 HydrophobicContact CB-CG1 4.47Å; I1317-I1322 HydrophobicContact CD1-CD1 3.93Å; I1317-I1322 HydrophobicContact CG1-CD1 4.44Å; I1317-I1322 HydrophobicContact CG2-CD1 3.58Å; I1317-I1322 HydrophobicContact CG2-CG1 3.71Å; I1317-I1324 HydrophobicContact CG1-CD1 4.08Å |
| 1318 | N | 45.5 | Very low | 51.8 | Low | 136.6 Ų | 136.6 | 93.5 Ų | 93.5 | 73% | 0.73 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -79.6 | -12 | -179.6 | -74.1 | -30.9 | 0 | 0 | 0 | 113.7 | T1314 Q1315 N1316 K1320 S1321 | T1314-N1318 PolarHBondContact O-ND2 2.82Å; Q1315-N1318 WeakPolarHBondContact O-CB 3.02Å; Q1315-N1318 PolarHBondContact O-N 3.18Å; Q1315-N1318 VanDerWaalsContact O-N 3.12Å; N1316-N1318 PolarHBondContact O-N 3.3Å; N1316-N1318 VanDerWaalsContact O-N 3.08Å; N1318-K1320 PolarHBondContact O-N 3.22Å; N1318-S1321 PolarHBondContact O-N 2.78Å; N1318-S1321 PolarHBondContact O-OG 2.76Å |
| 1319 | E | 38.7 | Very low | 50.9 | Low | 137.2 Ų | 137.2 | 95.7 Ų | 95.7 | 64% | 0.641 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -85.7 | 88 | 176.8 | -69.3 | -168.1 | 161 | 0 | 0 | 112 | N1316 I1317 S1321 F1397 | N1316-E1319 CarbonylContact O-C 3.42Å; N1316-E1319 PolarHBondContact O-N 2.8Å; N1316-E1319 VanDerWaalsContact O-O 3.14Å; I1317-E1319 PolarHBondContact O-N 3.24Å; E1319-S1321 PolarHBondContact O-N 3.09Å; E1319-S1321 VanDerWaalsContact O-N 3.14Å; E1319-F1397 WeakPolarHBondContact OE1-CZ 3.39Å |
| 1320 | K | 37.3 | Very low | 50 | Low | 201.2 Ų | 201.2 | 94.5 Ų | 94.5 | 88% | 0.875 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 82.9 | 176 | -71.8 | -179.7 | 177.3 | 177.6 | 0 | 111.8 | N1318 | N1318-K1320 PolarHBondContact O-N 3.22Š|
| 1321 | S | 33.9 | Very low | 49.2 | Very low | 108.2 Ų | 108.2 | 95.2 Ų | 95.2 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.4 | 49.7 | -177.9 | 70.8 | 0 | 0 | 0 | 0 | 116.5 | I1317 N1318 E1319 | I1317-S1321 VanDerWaalsContact CG2-OG 3.27Å; I1317-S1321 WeakPolarHBondContact CG2-OG 3.35Å; N1318-S1321 PolarHBondContact O-N 2.78Å; N1318-S1321 PolarHBondContact O-OG 2.76Å; E1319-S1321 PolarHBondContact O-N 3.09Å; E1319-S1321 VanDerWaalsContact O-N 3.14Å |
| 1322 | I | 35.3 | Very low | 48.5 | Very low | 95.8 Ų | 95.8 | 98.5 Ų | 98.5 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | trans | -120.3 | 107.6 | 156.6 | -59.6 | 178.4 | 0 | 0 | 0 | 107.8 | I1317 I1324 | I1317-I1322 HydrophobicContact CB-CD1 3.77Å; I1317-I1322 HydrophobicContact CB-CG1 4.47Å; I1317-I1322 HydrophobicContact CD1-CD1 3.93Å; I1317-I1322 HydrophobicContact CG1-CD1 4.44Å; I1317-I1322 HydrophobicContact CG2-CD1 3.58Å; I1317-I1322 HydrophobicContact CG2-CG1 3.71Å; I1322-I1324 HydrophobicContact CG2-CB 3.98Å; I1322-I1324 HydrophobicContact CG2-CD1 3.32Å; I1322-I1324 HydrophobicContact CG2-CG1 3.39Å; I1322-I1324 PolarHBondContact O-N 3.15Å; I1322-I1324 VanDerWaalsContact O-N 3.13Å | ||
| 1323 | E | 34.3 | Very low | 48 | Very low | 172.6 Ų | 172.6 | 97.8 Ų | 97.8 | 81% | 0.807 | 49% | 0.489 | S | S | * | . | trans | -61.2 | 108.7 | 160.4 | -72.8 | -176.6 | 151.4 | 0 | 0 | 107.3 | N1325 | E1323-N1325 PolarHBondContact O-N 2.98Å; E1323-N1325 PolarHBondContact O-OD1 3.34Å | ||
| 1324 | I | 38.3 | Very low | 47.7 | Very low | 81 Ų | 81 | 95.6 Ų | 95.6 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | trans | -63.8 | 102.9 | 177.8 | -60.2 | 167.4 | 0 | 0 | 0 | 106.8 | I1317 I1322 W1326 K1332 | I1317-I1324 HydrophobicContact CG1-CD1 4.08Å; I1322-I1324 HydrophobicContact CG2-CB 3.98Å; I1322-I1324 HydrophobicContact CG2-CD1 3.32Å; I1322-I1324 HydrophobicContact CG2-CG1 3.39Å; I1322-I1324 PolarHBondContact O-N 3.15Å; I1322-I1324 VanDerWaalsContact O-N 3.13Å; I1324-W1326 VanDerWaalsContact CB-CD1 3.45Å; I1324-W1326 HydrophobicContact CD1-CZ2 4.35Å; I1324-W1326 VanDerWaalsContact CG2-CD1 3.43Å; I1324-W1326 HydrophobicContact CG2-CD2 3.79Å; I1324-W1326 HydrophobicContact CG2-CE3 4.37Å; I1324-W1326 HydrophobicContact CG2-CG 4.24Å; I1324-W1326 HydrophobicContact CG2-CZ2 4.07Å; I1324-W1326 VanDerWaalsContact CG2-NE1 3.25Å; I1324-W1326 PolarHBondContact O-N 2.9Å; I1324-W1326 VanDerWaalsContact O-N 3.13Å; I1324-K1332 HydrophobicContact CG2-CD 4.2Å | ||
| 1325 | N | 39.4 | Very low | 47.4 | Very low | 107.2 Ų | 107.2 | 95.9 Ų | 95.9 | 57% | 0.573 | 48% | 0.481 | S | S | * | . | trans | -70.7 | 90.3 | 174.3 | -87.5 | -3.6 | 0 | 0 | 0 | 109.4 | E1323 E1327 N1328 | E1323-N1325 PolarHBondContact O-N 2.98Å; E1323-N1325 PolarHBondContact O-OD1 3.34Å; N1325-E1327 HydrophobicContact CB-CG 4.34Å; N1325-E1327 PolarHBondContact ND2-OE2 2.98Å; N1325-E1327 PolarHBondContact O-N 3.13Å; N1325-E1327 VanDerWaalsContact O-N 3.16Å; N1325-N1328 PolarHBondContact O-N 3.36Å | ||
| 1326 | W | 44.2 | Very low | 47.2 | Very low | 111.2 Ų | 111.2 | 96.4 Ų | 96.4 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -9.7 | 173.6 | -62.3 | 54.7 | 0 | 0 | 0 | 112.8 | L1283 L1304 N1308 L1311 I1324 N1328 N1329 P1330 W1331 K1332 | L1283-W1326 HydrophobicContact CD1-CH2 4.41Å; L1304-W1326 HydrophobicContact CD1-CB 3.58Å; L1304-W1326 HydrophobicContact CD1-CD2 3.85Å; L1304-W1326 HydrophobicContact CD1-CE3 4.36Å; L1304-W1326 HydrophobicContact CD1-CG 3.49Å; L1304-W1326 VanDerWaalsContact CD1-CG 3.49Å; L1304-W1326 HydrophobicContact CG-CG 4.33Å; N1308-W1326 WeakPolarHBondContact OD1-CZ2 3.24Å; N1308-W1326 PolarHBondContact OD1-NE1 2.86Å; L1311-W1326 HydrophobicContact CD1-CH2 4.05Å; L1311-W1326 HydrophobicContact CD1-CZ2 3.94Å; I1324-W1326 VanDerWaalsContact CB-CD1 3.45Å; I1324-W1326 HydrophobicContact CD1-CZ2 4.35Å; I1324-W1326 VanDerWaalsContact CG2-CD1 3.43Å; I1324-W1326 HydrophobicContact CG2-CD2 3.79Å; I1324-W1326 HydrophobicContact CG2-CE3 4.37Å; I1324-W1326 HydrophobicContact CG2-CG 4.24Å; I1324-W1326 HydrophobicContact CG2-CZ2 4.07Å; I1324-W1326 VanDerWaalsContact CG2-NE1 3.25Å; I1324-W1326 PolarHBondContact O-N 2.9Å; I1324-W1326 VanDerWaalsContact O-N 3.13Å; W1326-N1328 VanDerWaalsContact C-N 3.28Å; W1326-N1328 PolarHBondContact O-N 3.05Å; W1326-N1328 VanDerWaalsContact O-N 3.09Å; W1326-N1329 HydrophobicContact CB-CB 4.21Å; W1326-N1329 HydrophobicContact CD2-CB 4.36Å; W1326-N1329 HydrophobicContact CE3-CB 3.78Å; W1326-N1329 WeakPolarHBondContact CZ3-ND2 3.25Å; W1326-N1329 WeakPolarHBondContact O-CB 3.23Å; W1326-N1329 PolarHBondContact O-N 2.89Å; W1326-N1329 VanDerWaalsContact O-O 3.07Å; W1326-P1330 HydrophobicContact CE3-CG 3.86Å; W1326-P1330 HydrophobicContact CZ3-CG 4.21Å; W1326-W1331 HydrophobicContact CE3-CB 4.47Å; W1326-W1331 HydrophobicContact CZ3-CB 4.25Å; W1326-W1331 VanDerWaalsContact O-CD1 3.24Å; W1326-K1332 HydrophobicContact CB-CB 4.07Å; W1326-K1332 HydrophobicContact CB-CD 3.41Å; W1326-K1332 VanDerWaalsContact CB-CD 3.44Å; W1326-K1332 HydrophobicContact CB-CG 3.98Å; W1326-K1332 HydrophobicContact CD2-CD 4.48Å; W1326-K1332 HydrophobicContact CD2-CG 4.07Å; W1326-K1332 HydrophobicContact CE3-CG 4.07Å; W1326-K1332 HydrophobicContact CG-CD 4.04Å; W1326-K1332 VanDerWaalsContact CG-CE 3.41Å; W1326-K1332 HydrophobicContact CG-CG 3.89Å |
| 1327 | E | 42.6 | Very low | 47.5 | Very low | 159.2 Ų | 159.2 | 94 Ų | 94 | 74% | 0.744 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.9 | -179.9 | -64.5 | -171.5 | 147.6 | 0 | 0 | 113.4 | N1325 | N1325-E1327 HydrophobicContact CB-CG 4.34Å; N1325-E1327 PolarHBondContact ND2-OE2 2.98Å; N1325-E1327 PolarHBondContact O-N 3.13Å; N1325-E1327 VanDerWaalsContact O-N 3.16Å |
| 1328 | N | 47 | Very low | 47.6 | Very low | 133.6 Ų | 133.6 | 95.9 Ų | 95.9 | 71% | 0.714 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -14.2 | 179.9 | -72.2 | -25.5 | 0 | 0 | 0 | 114.8 | N1325 W1326 P1330 | N1325-N1328 PolarHBondContact O-N 3.36Å; W1326-N1328 VanDerWaalsContact C-N 3.28Å; W1326-N1328 PolarHBondContact O-N 3.05Å; W1326-N1328 VanDerWaalsContact O-N 3.09Å; N1328-P1330 WeakPolarHBondContact O-CD 3.36Å |
| 1329 | N | 53.4 | Low | 48.2 | Very low | 60.2 Ų | 60.2 | 93.9 Ų | 93.9 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | trans | -121.3 | 79.8 | -174.3 | -89.5 | -32.9 | 0 | 0 | 0 | 112.4 | W1326 W1331 K1332 | W1326-N1329 HydrophobicContact CB-CB 4.21Å; W1326-N1329 HydrophobicContact CD2-CB 4.36Å; W1326-N1329 HydrophobicContact CE3-CB 3.78Å; W1326-N1329 WeakPolarHBondContact CZ3-ND2 3.25Å; W1326-N1329 WeakPolarHBondContact O-CB 3.23Å; W1326-N1329 PolarHBondContact O-N 2.89Å; W1326-N1329 VanDerWaalsContact O-O 3.07Å; N1329-W1331 VanDerWaalsContact C-N 3.33Å; N1329-W1331 PolarHBondContact O-N 3.03Å; N1329-W1331 VanDerWaalsContact O-N 3.13Å; N1329-W1331 VanDerWaalsContact OD1-CD1 3.26Å; N1329-W1331 PolarHBondContact OD1-NE1 2.73Å; N1329-K1332 HydrophobicContact CB-CB 4.44Å; N1329-K1332 HydrophobicContact CB-CD 4.24Å; N1329-K1332 HydrophobicContact CB-CG 4.33Å; N1329-K1332 PolarHBondContact O-N 3.34Å; N1329-K1332 VanDerWaalsContact O-N 3.11Å | ||
| 1330 | P | 52 | Low | 49.2 | Very low | 25.2 Ų | 25.2 | 90.8 Ų | 90.8 | 16% | 0.164 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -24.5 | -171.9 | 23.3 | -32.8 | 0 | 0 | 0 | 113.4 | Y1279 W1326 N1328 K1332 M1333 L1334 F1357 | Y1279-P1330 HydrophobicContact CD1-CB 4.48Å; Y1279-P1330 HydrophobicContact CE1-CB 3.66Å; Y1279-P1330 HydrophobicContact CE1-CG 4.16Å; Y1279-P1330 HydrophobicContact CE2-CB 4.28Å; Y1279-P1330 WeakPolarHBondContact OH-CA 3.27Å; Y1279-P1330 VanDerWaalsContact OH-N 3.12Å; W1326-P1330 HydrophobicContact CE3-CG 3.86Å; W1326-P1330 HydrophobicContact CZ3-CG 4.21Å; N1328-P1330 WeakPolarHBondContact O-CD 3.36Å; P1330-K1332 VanDerWaalsContact C-N 3.33Å; P1330-K1332 PolarHBondContact O-N 3.05Å; P1330-K1332 VanDerWaalsContact O-N 3.13Å; P1330-M1333 HydrophobicContact CB-CE 4.43Å; P1330-M1333 CarbonylContact O-C 3.57Å; P1330-M1333 WeakPolarHBondContact O-CA 3.46Å; P1330-M1333 WeakPolarHBondContact O-CB 3.37Å; P1330-M1333 PolarHBondContact O-N 3.23Å; P1330-L1334 PolarHBondContact O-N 3.19Å; P1330-F1357 HydrophobicContact CB-CB 4.28Å; P1330-F1357 HydrophobicContact CB-CD1 4.08Å; P1330-F1357 HydrophobicContact CB-CD2 4.25Å; P1330-F1357 HydrophobicContact CB-CE1 3.43Å; P1330-F1357 VanDerWaalsContact CB-CE1 3.43Å; P1330-F1357 HydrophobicContact CB-CE2 4.1Å; P1330-F1357 HydrophobicContact CB-CZ 3.45Å; P1330-F1357 VanDerWaalsContact CB-CZ 3.45Å; P1330-F1357 HydrophobicContact CG-CB 3.97Å; P1330-F1357 HydrophobicContact CG-CD1 3.8Å; P1330-F1357 HydrophobicContact CG-CD2 4.18Å; P1330-F1357 HydrophobicContact CG-CE1 3.58Å; P1330-F1357 HydrophobicContact CG-CZ 4.12Å; P1330-F1357 WeakPolarHBondContact O-CE1 3.48Å; P1330-F1357 WeakPolarHBondContact O-CZ 3.37Å |
| 1331 | W | 57.7 | Low | 50.2 | Low | 30.6 Ų | 30.6 | 83.7 Ų | 83.7 | 12% | 0.116 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 177.5 | -18 | 117.8 | 0 | 0 | 0 | 113.5 | S1300 L1303 L1304 W1326 N1329 M1333 L1334 S1335 F1357 H1362 K1471 A1474 I1475 F1487 I1495 | S1300-W1331 WeakPolarHBondContact O-CH2 3.41Å; S1300-W1331 WeakPolarHBondContact O-CZ2 3.39Å; L1303-W1331 HydrophobicContact CB-CH2 4.25Å; L1303-W1331 HydrophobicContact CD2-CH2 3.44Å; L1303-W1331 VanDerWaalsContact CD2-CH2 3.44Å; L1303-W1331 HydrophobicContact CD2-CZ2 4.15Å; L1303-W1331 HydrophobicContact CD2-CZ3 4.07Å; L1303-W1331 HydrophobicContact CG-CH2 4.48Å; L1304-W1331 HydrophobicContact CB-CH2 4.49Å; L1304-W1331 HydrophobicContact CB-CZ2 3.86Å; L1304-W1331 HydrophobicContact CD1-CZ2 3.48Å; L1304-W1331 VanDerWaalsContact CD1-CZ2 3.48Å; L1304-W1331 HydrophobicContact CG-CZ2 4.28Å; W1326-W1331 HydrophobicContact CE3-CB 4.47Å; W1326-W1331 HydrophobicContact CZ3-CB 4.25Å; W1326-W1331 VanDerWaalsContact O-CD1 3.24Å; N1329-W1331 VanDerWaalsContact C-N 3.33Å; N1329-W1331 PolarHBondContact O-N 3.03Å; N1329-W1331 VanDerWaalsContact O-N 3.13Å; N1329-W1331 VanDerWaalsContact OD1-CD1 3.26Å; N1329-W1331 PolarHBondContact OD1-NE1 2.73Å; W1331-M1333 VanDerWaalsContact C-N 3.27Å; W1331-M1333 PolarHBondContact O-N 3.41Å; W1331-L1334 HydrophobicContact CE3-CD1 4.19Å; W1331-L1334 HydrophobicContact CZ3-CD1 4.34Å; W1331-L1334 CarbonylContact O-C 3.51Å; W1331-L1334 WeakPolarHBondContact O-CB 3.39Å; W1331-L1334 PolarHBondContact O-N 3.12Å; W1331-L1334 VanDerWaalsContact O-N 3.16Å; W1331-S1335 WeakPolarHBondContact O-CA 3.39Å; W1331-S1335 WeakPolarHBondContact O-CB 3.25Å; W1331-S1335 PolarHBondContact O-N 3.21Å; W1331-S1335 VanDerWaalsContact O-N 3.08Å; W1331-F1357 HydrophobicContact CB-CD2 4.13Å; W1331-F1357 HydrophobicContact CB-CE2 3.9Å; W1331-F1357 HydrophobicContact CB-CZ 4.29Å; W1331-F1357 AromaticContact CD2-CD1 3.88Å; W1331-F1357 HydrophobicContact CD2-CD1 3.88Å; W1331-F1357 AromaticContact CD2-CE1 3.82Å; W1331-F1357 HydrophobicContact CD2-CE1 3.82Å; W1331-F1357 AromaticContact CE2-CD1 3.91Å; W1331-F1357 AromaticContact CE3-CD1 3.91Å; W1331-F1357 HydrophobicContact CE3-CD1 3.91Å; W1331-F1357 AromaticContact CE3-CE1 3.83Å; W1331-F1357 HydrophobicContact CE3-CE1 3.83Å; W1331-F1357 HydrophobicContact CG-CE1 4.16Å; W1331-F1357 HydrophobicContact CG-CE2 4.24Å; W1331-F1357 HydrophobicContact CH2-CD1 4.08Å; W1331-F1357 HydrophobicContact CH2-CE2 4.26Å; W1331-F1357 HydrophobicContact CZ2-CD1 4.03Å; W1331-F1357 AromaticContact CZ2-CE2 3.8Å; W1331-F1357 HydrophobicContact CZ2-CE2 3.8Å; W1331-F1357 HydrophobicContact CZ3-CD1 4.01Å; W1331-F1357 HydrophobicContact CZ3-CE1 4.33Å; W1331-F1357 VanDerWaalsContact N-CE1 3.33Å; W1331-H1362 AromaticContact NE1-NE2 3.34Å; W1331-H1362 PolarHBondContact NE1-NE2 3.02Å; W1331-K1471 HydrophobicContact CH2-CD 4.35Å; W1331-K1471 HydrophobicContact CZ3-CD 4.43Å; W1331-A1474 HydrophobicContact CH2-CB 4.38Å; W1331-I1475 HydrophobicContact CD2-CD1 4.16Å; W1331-I1475 HydrophobicContact CD2-CG1 4.34Å; W1331-I1475 VanDerWaalsContact CE2-CD1 3.41Å; W1331-I1475 HydrophobicContact CG-CG1 4.39Å; W1331-I1475 HydrophobicContact CH2-CD1 4.23Å; W1331-I1475 HydrophobicContact CH2-CG1 3.93Å; W1331-I1475 HydrophobicContact CZ2-CB 4.24Å; W1331-I1475 HydrophobicContact CZ2-CD1 3.67Å; W1331-I1475 VanDerWaalsContact CZ2-CD1 3.45Å; W1331-I1475 HydrophobicContact CZ2-CG1 4.02Å; W1331-F1487 HydrophobicContact CE3-CE1 4.49Å; W1331-F1487 HydrophobicContact CH2-CD1 4.41Å; W1331-F1487 AromaticContact CH2-CE1 3.16Å; W1331-F1487 HydrophobicContact CH2-CE1 3.16Å; W1331-F1487 AromaticContact CH2-CZ 3.34Å; W1331-F1487 HydrophobicContact CH2-CZ 3.34Å; W1331-F1487 HydrophobicContact CZ2-CE1 4.44Å; W1331-F1487 HydrophobicContact CZ2-CZ 4.33Å; W1331-F1487 HydrophobicContact CZ3-CD1 4.14Å; W1331-F1487 AromaticContact CZ3-CE1 3.19Å; W1331-F1487 HydrophobicContact CZ3-CE1 3.19Å; W1331-F1487 AromaticContact CZ3-CZ 3.73Å; W1331-F1487 HydrophobicContact CZ3-CZ 3.73Å; W1331-I1495 HydrophobicContact CE3-CD1 3.77Å; W1331-I1495 HydrophobicContact CZ3-CD1 3.71Å |
| 1332 | K | 56.7 | Low | 51.4 | Low | 88.8 Ų | 88.8 | 84.4 Ų | 84.4 | 39% | 0.386 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 174.7 | -97.6 | -173.9 | 179.9 | 176.6 | 0 | 111.5 | L1246 I1324 W1326 N1329 P1330 L1334 S1335 I1336 | L1246-K1332 HydrophobicContact CD2-CB 3.66Å; L1246-K1332 WeakPolarHBondContact CD2-O 3.46Å; I1324-K1332 HydrophobicContact CG2-CD 4.2Å; W1326-K1332 HydrophobicContact CB-CB 4.07Å; W1326-K1332 HydrophobicContact CB-CD 3.41Å; W1326-K1332 VanDerWaalsContact CB-CD 3.44Å; W1326-K1332 HydrophobicContact CB-CG 3.98Å; W1326-K1332 HydrophobicContact CD2-CD 4.48Å; W1326-K1332 HydrophobicContact CD2-CG 4.07Å; W1326-K1332 HydrophobicContact CE3-CG 4.07Å; W1326-K1332 HydrophobicContact CG-CD 4.04Å; W1326-K1332 VanDerWaalsContact CG-CE 3.41Å; W1326-K1332 HydrophobicContact CG-CG 3.89Å; N1329-K1332 HydrophobicContact CB-CB 4.44Å; N1329-K1332 HydrophobicContact CB-CD 4.24Å; N1329-K1332 HydrophobicContact CB-CG 4.33Å; N1329-K1332 PolarHBondContact O-N 3.34Å; N1329-K1332 VanDerWaalsContact O-N 3.11Å; P1330-K1332 VanDerWaalsContact C-N 3.33Å; P1330-K1332 PolarHBondContact O-N 3.05Å; P1330-K1332 VanDerWaalsContact O-N 3.13Å; K1332-L1334 VanDerWaalsContact C-N 3.33Å; K1332-L1334 PolarHBondContact O-N 3.49Å; K1332-S1335 WeakPolarHBondContact CA-OG 3.38Å; K1332-S1335 WeakPolarHBondContact O-CA 3.39Å; K1332-S1335 WeakPolarHBondContact O-CB 3.27Å; K1332-S1335 PolarHBondContact O-N 3.18Å; K1332-S1335 VanDerWaalsContact O-N 3.12Å; K1332-S1335 PolarHBondContact O-OG 3.09Å; K1332-I1336 HydrophobicContact CG-CD1 3.78Å; K1332-I1336 HydrophobicContact CG-CG1 4.31Å; K1332-I1336 WeakPolarHBondContact O-CB 3.45Å; K1332-I1336 WeakPolarHBondContact O-CD1 3.36Å; K1332-I1336 VanDerWaalsContact O-CG1 3.28Å; K1332-I1336 WeakPolarHBondContact O-CG1 3.46Å; K1332-I1336 PolarHBondContact O-N 3.2Å; K1332-I1336 VanDerWaalsContact O-N 3.09Å |
| 1333 | M | 56.5 | Low | 52.8 | Low | 35.6 Ų | 35.6 | 84.6 Ų | 84.6 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174.8 | -159.4 | 179.8 | 75.4 | 0 | 0 | 111.8 | L1246 N1274 L1275 P1330 W1331 S1335 I1336 I1337 L1350 N1353 F1357 | L1246-M1333 HydrophobicContact CD1-CB 4.23Å; L1246-M1333 HydrophobicContact CD1-CG 3.76Å; L1246-M1333 HydrophobicContact CD1-SD 4.14Å; N1274-M1333 HydrophobicContact CB-CE 3.57Å; L1275-M1333 HydrophobicContact CD2-CB 3.87Å; L1275-M1333 HydrophobicContact CD2-CE 3.89Å; L1275-M1333 HydrophobicContact CD2-CG 3.64Å; L1275-M1333 HydrophobicContact CD2-SD 4.27Å; L1275-M1333 HydrophobicContact CG-CE 3.84Å; L1275-M1333 HydrophobicContact CG-CG 4.26Å; P1330-M1333 HydrophobicContact CB-CE 4.43Å; P1330-M1333 CarbonylContact O-C 3.57Å; P1330-M1333 WeakPolarHBondContact O-CA 3.46Å; P1330-M1333 WeakPolarHBondContact O-CB 3.37Å; P1330-M1333 PolarHBondContact O-N 3.23Å; W1331-M1333 VanDerWaalsContact C-N 3.27Å; W1331-M1333 PolarHBondContact O-N 3.41Å; M1333-S1335 VanDerWaalsContact C-N 3.29Å; M1333-S1335 PolarHBondContact O-N 3.37Å; M1333-I1336 HydrophobicContact CG-CD1 4.11Å; M1333-I1336 WeakPolarHBondContact O-CD1 3.5Å; M1333-I1336 WeakPolarHBondContact O-CG1 3.37Å; M1333-I1336 PolarHBondContact O-N 3.06Å; M1333-I1336 VanDerWaalsContact O-N 3.09Å; M1333-I1337 HydrophobicContact CE-CD1 4.17Å; M1333-I1337 HydrophobicContact CG-CD1 3.96Å; M1333-I1337 HydrophobicContact CG-CG1 4.29Å; M1333-I1337 WeakPolarHBondContact O-CD1 3.45Å; M1333-I1337 VanDerWaalsContact O-CG1 3.31Å; M1333-I1337 WeakPolarHBondContact O-CG1 3.39Å; M1333-I1337 PolarHBondContact O-N 3.08Å; M1333-I1337 VanDerWaalsContact O-N 3.12Å; M1333-I1337 HydrophobicContact SD-CD1 4.08Å; M1333-L1350 HydrophobicContact CE-CD1 3.96Å; M1333-N1353 HydrophobicContact CE-CB 3.7Å; M1333-N1353 VanDerWaalsContact CE-CG 3.47Å; M1333-N1353 VanDerWaalsContact CE-OD1 3.25Å; M1333-N1353 WeakPolarHBondContact CE-OD1 3.21Å; M1333-N1353 WeakPolarHBondContact CG-ND2 3.29Å; M1333-N1353 PolarHBondContact O-ND2 3.19Å; M1333-N1353 HydrophobicContact SD-CB 4.4Å; M1333-N1353 PolarHBondContact SD-ND2 3.26Å; M1333-N1353 PolarHBondContact SD-OD1 3.21Å; M1333-F1357 HydrophobicContact CE-CE2 4.02Å; M1333-F1357 HydrophobicContact CE-CZ 4.3Å |
| 1334 | L | 58.4 | Low | 54 | Low | 5.4 Ų | 5.4 | 79.8 Ų | 79.8 | 3% | 0.028 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.5 | -31.5 | 175.4 | -66.5 | 170.4 | 0 | 0 | 0 | 112.4 | L1291 P1330 W1331 K1332 I1336 I1337 Q1338 L1350 I1354 F1357 I1495 H1498 | L1291-L1334 HydrophobicContact CD1-CD2 4.39Å; P1330-L1334 PolarHBondContact O-N 3.19Å; W1331-L1334 HydrophobicContact CE3-CD1 4.19Å; W1331-L1334 HydrophobicContact CZ3-CD1 4.34Å; W1331-L1334 CarbonylContact O-C 3.51Å; W1331-L1334 WeakPolarHBondContact O-CB 3.39Å; W1331-L1334 PolarHBondContact O-N 3.12Å; W1331-L1334 VanDerWaalsContact O-N 3.16Å; K1332-L1334 VanDerWaalsContact C-N 3.33Å; K1332-L1334 PolarHBondContact O-N 3.49Å; L1334-I1336 VanDerWaalsContact C-N 3.31Å; L1334-I1336 PolarHBondContact O-N 2.99Å; L1334-I1337 HydrophobicContact CD2-CD1 4.28Å; L1334-I1337 CarbonylContact O-C 3.54Å; L1334-I1337 WeakPolarHBondContact O-CA 3.3Å; L1334-I1337 VanDerWaalsContact O-CB 3.28Å; L1334-I1337 WeakPolarHBondContact O-CB 3.46Å; L1334-I1337 PolarHBondContact O-N 3.35Å; L1334-I1337 VanDerWaalsContact O-N 3.09Å; L1334-Q1338 PolarHBondContact O-N 2.99Å; L1334-L1350 HydrophobicContact CD2-CD1 3.98Å; L1334-I1354 HydrophobicContact CD1-CG1 4.37Å; L1334-I1354 HydrophobicContact CD2-CD1 4.21Å; L1334-I1354 HydrophobicContact CD2-CG1 3.94Å; L1334-F1357 HydrophobicContact CD1-CE1 3.91Å; L1334-F1357 HydrophobicContact CD1-CE2 4.06Å; L1334-F1357 HydrophobicContact CD1-CZ 3.65Å; L1334-F1357 HydrophobicContact CD2-CZ 4.49Å; L1334-F1357 HydrophobicContact CG-CE1 4.35Å; L1334-F1357 HydrophobicContact CG-CE2 4.18Å; L1334-F1357 HydrophobicContact CG-CZ 3.7Å; L1334-I1495 HydrophobicContact CB-CG1 4.34Å; L1334-I1495 HydrophobicContact CB-CG2 4.44Å; L1334-I1495 HydrophobicContact CD1-CG2 4.1Å; L1334-H1498 HydrophobicContact CD2-CB 4.07Å; L1334-H1498 PolarHBondContact O-CD2 3.23Å; L1334-H1498 PolarHBondContact O-NE2 3.13Å |
| 1335 | S | 58.5 | Low | 55.2 | Low | 52.8 Ų | 52.8 | 82.4 Ų | 82.4 | 37% | 0.369 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.3 | -20.5 | 175.7 | 67 | 0 | 0 | 0 | 0 | 114.3 | W1331 K1332 M1333 I1337 Q1338 | W1331-S1335 WeakPolarHBondContact O-CA 3.39Å; W1331-S1335 WeakPolarHBondContact O-CB 3.25Å; W1331-S1335 PolarHBondContact O-N 3.21Å; W1331-S1335 VanDerWaalsContact O-N 3.08Å; K1332-S1335 WeakPolarHBondContact CA-OG 3.38Å; K1332-S1335 WeakPolarHBondContact O-CA 3.39Å; K1332-S1335 WeakPolarHBondContact O-CB 3.27Å; K1332-S1335 PolarHBondContact O-N 3.18Å; K1332-S1335 VanDerWaalsContact O-N 3.12Å; K1332-S1335 PolarHBondContact O-OG 3.09Å; M1333-S1335 VanDerWaalsContact C-N 3.29Å; M1333-S1335 PolarHBondContact O-N 3.37Å; S1335-I1337 PolarHBondContact O-N 3.02Å; S1335-I1337 VanDerWaalsContact O-N 3.12Å; S1335-Q1338 CarbonylContact O-C 3.58Å; S1335-Q1338 WeakPolarHBondContact O-CG 3.12Å; S1335-Q1338 PolarHBondContact O-N 3.33Å |
| 1336 | I | 57.4 | Low | 56.3 | Low | 92 Ų | 92 | 79.3 Ų | 79.3 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.2 | -28.9 | 176.8 | -64.9 | 165.6 | 0 | 0 | 0 | 111.4 | K1242 Y1243 L1246 I1271 K1332 M1333 L1334 Q1338 | K1242-I1336 HydrophobicContact CB-CG2 3.68Å; K1242-I1336 WeakPolarHBondContact CD-O 3.46Å; Y1243-I1336 HydrophobicContact CD2-CD1 3.86Å; L1246-I1336 HydrophobicContact CD1-CD1 3.17Å; L1246-I1336 HydrophobicContact CD1-CG1 3.24Å; L1246-I1336 HydrophobicContact CD2-CG1 4.46Å; L1246-I1336 HydrophobicContact CG-CD1 4.27Å; L1246-I1336 HydrophobicContact CG-CG1 3.85Å; I1271-I1336 HydrophobicContact CG2-CD1 4.49Å; K1332-I1336 HydrophobicContact CG-CD1 3.78Å; K1332-I1336 HydrophobicContact CG-CG1 4.31Å; K1332-I1336 WeakPolarHBondContact O-CB 3.45Å; K1332-I1336 WeakPolarHBondContact O-CD1 3.36Å; K1332-I1336 VanDerWaalsContact O-CG1 3.28Å; K1332-I1336 WeakPolarHBondContact O-CG1 3.46Å; K1332-I1336 PolarHBondContact O-N 3.2Å; K1332-I1336 VanDerWaalsContact O-N 3.09Å; M1333-I1336 HydrophobicContact CG-CD1 4.11Å; M1333-I1336 WeakPolarHBondContact O-CD1 3.5Å; M1333-I1336 WeakPolarHBondContact O-CG1 3.37Å; M1333-I1336 PolarHBondContact O-N 3.06Å; M1333-I1336 VanDerWaalsContact O-N 3.09Å; L1334-I1336 VanDerWaalsContact C-N 3.31Å; L1334-I1336 PolarHBondContact O-N 2.99Å; I1336-Q1338 VanDerWaalsContact C-N 3.29Å; I1336-Q1338 PolarHBondContact O-N 3.1Å; I1336-Q1338 VanDerWaalsContact O-N 3.12Å |
| 1337 | I | 58.2 | Low | 57.3 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | trans | -77.8 | 68.8 | -175.7 | -63.7 | 169.5 | 0 | 0 | 0 | 110.4 | L1291 M1333 L1334 S1335 D1339 L1350 I1354 H1498 | L1291-I1337 HydrophobicContact CD1-CG2 4.4Å; M1333-I1337 HydrophobicContact CE-CD1 4.17Å; M1333-I1337 HydrophobicContact CG-CD1 3.96Å; M1333-I1337 HydrophobicContact CG-CG1 4.29Å; M1333-I1337 WeakPolarHBondContact O-CD1 3.45Å; M1333-I1337 VanDerWaalsContact O-CG1 3.31Å; M1333-I1337 WeakPolarHBondContact O-CG1 3.39Å; M1333-I1337 PolarHBondContact O-N 3.08Å; M1333-I1337 VanDerWaalsContact O-N 3.12Å; M1333-I1337 HydrophobicContact SD-CD1 4.08Å; L1334-I1337 HydrophobicContact CD2-CD1 4.28Å; L1334-I1337 CarbonylContact O-C 3.54Å; L1334-I1337 WeakPolarHBondContact O-CA 3.3Å; L1334-I1337 VanDerWaalsContact O-CB 3.28Å; L1334-I1337 WeakPolarHBondContact O-CB 3.46Å; L1334-I1337 PolarHBondContact O-N 3.35Å; L1334-I1337 VanDerWaalsContact O-N 3.09Å; S1335-I1337 PolarHBondContact O-N 3.02Å; S1335-I1337 VanDerWaalsContact O-N 3.12Å; I1337-D1339 VanDerWaalsContact C-N 3.26Å; I1337-D1339 VanDerWaalsContact CG2-O 3.28Å; I1337-D1339 WeakPolarHBondContact CG2-O 3.43Å; I1337-D1339 PolarHBondContact O-N 3.1Å; I1337-L1350 HydrophobicContact CB-CD2 3.88Å; I1337-L1350 HydrophobicContact CD1-CB 3.95Å; I1337-L1350 HydrophobicContact CD1-CD1 3.61Å; I1337-L1350 HydrophobicContact CD1-CG 4.28Å; I1337-L1350 HydrophobicContact CG1-CD2 4.3Å; I1337-L1350 HydrophobicContact CG2-CD1 4.47Å; I1337-L1350 HydrophobicContact CG2-CD2 3.36Å; I1337-L1350 WeakPolarHBondContact O-CD1 3.16Å; I1337-L1350 VanDerWaalsContact O-CD2 3.28Å; I1337-L1350 WeakPolarHBondContact O-CD2 3.46Å; I1337-I1354 HydrophobicContact CG2-CD1 4.31Å; I1337-H1498 PolarHBondContact O-CE1 3.18Å; I1337-H1498 PolarHBondContact O-NE2 2.98Å | ||
| 1338 | Q | 55.3 | Low | 58.3 | Low | 141.4 Ų | 141.4 | 68.3 Ų | 68.3 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | trans | -83.1 | -15.8 | -178.7 | -71.3 | -176.6 | -14.3 | 0 | 0 | 113.5 | L1334 S1335 I1336 P1543 | L1334-Q1338 PolarHBondContact O-N 2.99Å; S1335-Q1338 CarbonylContact O-C 3.58Å; S1335-Q1338 WeakPolarHBondContact O-CG 3.12Å; S1335-Q1338 PolarHBondContact O-N 3.33Å; I1336-Q1338 VanDerWaalsContact C-N 3.29Å; I1336-Q1338 PolarHBondContact O-N 3.1Å; I1336-Q1338 VanDerWaalsContact O-N 3.12Å; Q1338-P1543 WeakPolarHBondContact O-CG 3.43Å | ||
| 1339 | D | 57 | Low | 59.2 | Low | 94.2 Ų | 94.2 | 66.3 Ų | 66.3 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -120.1 | 144.9 | 177.3 | -135.2 | -12.7 | 0 | 0 | 0 | 112.2 | Y1238 K1242 I1337 S1346 F1544 K1547 | Y1238-D1339 VanDerWaalsContact OH-CG 3.3Å; Y1238-D1339 PolarHBondContact OH-OD1 3.43Å; Y1238-D1339 PolarHBondContact OH-OD2 3.4Å; K1242-D1339 VanDerWaalsContact CE-OD1 3.27Å; K1242-D1339 WeakPolarHBondContact CE-OD1 3.38Å; K1242-D1339 IonicContact NZ-OD1 3.7Å; K1242-D1339 PolarHBondContact NZ-OD1 3.21Å; K1242-D1339 IonicContact NZ-OD2 3.52Å; K1242-D1339 PolarHBondContact NZ-OD2 3.05Å; I1337-D1339 VanDerWaalsContact C-N 3.26Å; I1337-D1339 VanDerWaalsContact CG2-O 3.28Å; I1337-D1339 WeakPolarHBondContact CG2-O 3.43Å; I1337-D1339 PolarHBondContact O-N 3.1Å; D1339-S1346 WeakPolarHBondContact OD2-CB 3.45Å; D1339-F1544 WeakPolarHBondContact OD1-CB 3.17Å; D1339-K1547 IonicContact OD1-NZ 2.73Å; D1339-K1547 PolarHBondContact OD1-NZ 3.48Å; D1339-K1547 IonicContact OD2-NZ 2.77Å |
| 1340 | K | 59.3 | Low | 59.9 | Low | 71.2 Ų | 71.2 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | trans | -80.9 | 125.3 | 177.7 | -88.3 | -142.1 | -173.8 | 172.2 | 0 | 111.2 | N1342 L1350 H1498 T1501 F1544 K1547 W1581 | K1340-N1342 PolarHBondContact O-N 2.93Å; K1340-L1350 HydrophobicContact CD-CD2 3.43Å; K1340-H1498 WeakPolarHBondContact CE-ND1 3.27Å; K1340-H1498 PolarHBondContact NZ-O 3.22Å; K1340-T1501 WeakPolarHBondContact CE-OG1 3.4Å; K1340-T1501 VanDerWaalsContact NZ-C 3.3Å; K1340-T1501 PolarHBondContact NZ-O 2.88Å; K1340-T1501 PolarHBondContact NZ-OG1 3.28Å; K1340-F1544 HydrophobicContact CB-CG 4.45Å; K1340-F1544 HydrophobicContact CG-CD2 4.32Å; K1340-F1544 HydrophobicContact CG-CG 4.4Å; K1340-K1547 HydrophobicContact CB-CD 4Å; K1340-K1547 HydrophobicContact CD-CD 4.36Å; K1340-K1547 HydrophobicContact CG-CD 4.37Å; K1340-K1547 PolarHBondContact O-NZ 3.19Å; K1340-W1581 HydrophobicContact CD-CH2 3.66Å; K1340-W1581 HydrophobicContact CD-CZ2 3.64Å; K1340-W1581 HydrophobicContact CG-CH2 3.98Å; K1340-W1581 HydrophobicContact CG-CZ2 4.4Å | ||
| 1341 | P | 58.5 | Low | 60.7 | Low | 52.2 Ų | 52.2 | 63.2 Ų | 63.2 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | trans | -70.8 | 119.9 | -176.9 | 28.7 | -33.2 | 0 | 0 | 0 | 111.6 | S1346 I1347 L1350 F1544 K1547 | P1341-S1346 VanDerWaalsContact CB-CB 3.43Å; P1341-I1347 HydrophobicContact CB-CG1 4.33Å; P1341-I1347 HydrophobicContact CG-CG1 4.15Å; P1341-I1347 WeakPolarHBondContact O-CD1 3.47Å; P1341-I1347 WeakPolarHBondContact O-CG1 3.35Å; P1341-L1350 HydrophobicContact CG-CD2 4.31Å; P1341-F1544 HydrophobicContact CB-CE1 4.34Å; P1341-K1547 PolarHBondContact O-NZ 3.48Å | ||
| 1342 | N | 59.8 | Low | 61.1 | Low | 124.2 Ų | 124.2 | 63.8 Ų | 63.8 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | trans | -113.2 | -15.9 | 173.1 | -70.8 | -17.4 | 0 | 0 | 0 | 113 | K1340 K1547 | K1340-N1342 PolarHBondContact O-N 2.93Å; N1342-K1547 WeakPolarHBondContact OD1-CE 3.48Å; N1342-K1547 PolarHBondContact OD1-NZ 3.04Å; N1342-K1547 VanDerWaalsContact OD1-NZ 3.15Å | ||
| 1343 | D | 64 | Low | 61.6 | Low | 98.4 Ų | 98.4 | 60.8 Ų | 60.8 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -85.8 | 129.7 | 179.4 | -52.9 | -37.9 | 0 | 0 | 0 | 111.4 | Q1345 S1346 I1347 | D1343-Q1345 VanDerWaalsContact C-N 3.28Å; D1343-Q1345 PolarHBondContact O-N 3.11Å; D1343-Q1345 VanDerWaalsContact O-N 3.15Å; D1343-S1346 WeakPolarHBondContact O-CA 3.38Å; D1343-S1346 WeakPolarHBondContact O-CB 3.44Å; D1343-S1346 PolarHBondContact O-N 3.11Å; D1343-S1346 VanDerWaalsContact O-N 3.11Å; D1343-S1346 PolarHBondContact O-OG 3.18Å; D1343-S1346 WeakPolarHBondContact OD1-CB 3.35Å; D1343-S1346 PolarHBondContact OD1-OG 3.16Å; D1343-S1346 WeakPolarHBondContact OD2-CB 3.13Å; D1343-S1346 PolarHBondContact OD2-N 3.43Å; D1343-S1346 PolarHBondContact OD2-OG 3.03Å; D1343-I1347 VanDerWaalsContact O-CG1 3.29Å; D1343-I1347 WeakPolarHBondContact O-CG1 3.47Å; D1343-I1347 PolarHBondContact O-N 3.23Å; D1343-I1347 VanDerWaalsContact O-N 3.12Å |
| 1344 | L | 60.7 | Low | 62.1 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.2 | -36.4 | -178.6 | -156.9 | 109.7 | 0 | 0 | 0 | 112.7 | S1346 I1347 C1348 L1587 Y1591 | L1344-S1346 PolarHBondContact O-N 2.87Å; L1344-I1347 WeakPolarHBondContact O-CB 3.5Å; L1344-I1347 PolarHBondContact O-N 3.36Å; L1344-C1348 WeakPolarHBondContact O-CB 3.3Å; L1344-C1348 PolarHBondContact O-N 3.21Å; L1344-C1348 PolarHBondContact O-SG 3.32Å; L1344-L1587 HydrophobicContact CD1-CB 4.09Å; L1344-Y1591 HydrophobicContact CD1-CD2 4.4Å; L1344-Y1591 HydrophobicContact CD2-CD2 3.84Å; L1344-Y1591 HydrophobicContact CD2-CE2 3.88Å; L1344-Y1591 HydrophobicContact CD2-CG 4.38Å |
| 1345 | Q | 62.5 | Low | 62.5 | Low | 135.8 Ų | 135.8 | 61.3 Ų | 61.3 | 64% | 0.635 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | -179.1 | -157.8 | 172.3 | -1.9 | 0 | 0 | 112.6 | D1343 I1347 C1348 I1349 | D1343-Q1345 VanDerWaalsContact C-N 3.28Å; D1343-Q1345 PolarHBondContact O-N 3.11Å; D1343-Q1345 VanDerWaalsContact O-N 3.15Å; Q1345-I1347 VanDerWaalsContact C-N 3.32Å; Q1345-I1347 PolarHBondContact O-N 3.28Å; Q1345-C1348 WeakPolarHBondContact O-CB 3.42Å; Q1345-C1348 PolarHBondContact O-N 3.17Å; Q1345-I1349 HydrophobicContact CG-CD1 4.31Å; Q1345-I1349 WeakPolarHBondContact O-CD1 3.22Å; Q1345-I1349 VanDerWaalsContact O-CG1 3.26Å; Q1345-I1349 WeakPolarHBondContact O-CG1 3.35Å; Q1345-I1349 PolarHBondContact O-N 3.08Å; Q1345-I1349 VanDerWaalsContact O-N 3.09Å |
| 1346 | S | 62.7 | Low | 62.7 | Low | 41.2 Ų | 41.2 | 65.6 Ų | 65.6 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.3 | -32.2 | 178.3 | -43.3 | 0 | 0 | 0 | 0 | 112.1 | D1339 P1341 D1343 L1344 I1349 L1350 | D1339-S1346 WeakPolarHBondContact OD2-CB 3.45Å; P1341-S1346 VanDerWaalsContact CB-CB 3.43Å; D1343-S1346 WeakPolarHBondContact O-CA 3.38Å; D1343-S1346 WeakPolarHBondContact O-CB 3.44Å; D1343-S1346 PolarHBondContact O-N 3.11Å; D1343-S1346 VanDerWaalsContact O-N 3.11Å; D1343-S1346 PolarHBondContact O-OG 3.18Å; D1343-S1346 WeakPolarHBondContact OD1-CB 3.35Å; D1343-S1346 PolarHBondContact OD1-OG 3.16Å; D1343-S1346 WeakPolarHBondContact OD2-CB 3.13Å; D1343-S1346 PolarHBondContact OD2-N 3.43Å; D1343-S1346 PolarHBondContact OD2-OG 3.03Å; L1344-S1346 PolarHBondContact O-N 2.87Å; S1346-I1349 PolarHBondContact O-N 3.25Å; S1346-L1350 WeakPolarHBondContact O-CB 3.4Å; S1346-L1350 PolarHBondContact O-N 2.95Å |
| 1347 | I | 64.8 | Low | 63 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 173.1 | -63 | 170.7 | 0 | 0 | 0 | 110.5 | P1341 D1343 L1344 Q1345 I1349 L1350 E1351 W1581 A1584 L1585 S1588 | P1341-I1347 HydrophobicContact CB-CG1 4.33Å; P1341-I1347 HydrophobicContact CG-CG1 4.15Å; P1341-I1347 WeakPolarHBondContact O-CD1 3.47Å; P1341-I1347 WeakPolarHBondContact O-CG1 3.35Å; D1343-I1347 VanDerWaalsContact O-CG1 3.29Å; D1343-I1347 WeakPolarHBondContact O-CG1 3.47Å; D1343-I1347 PolarHBondContact O-N 3.23Å; D1343-I1347 VanDerWaalsContact O-N 3.12Å; L1344-I1347 WeakPolarHBondContact O-CB 3.5Å; L1344-I1347 PolarHBondContact O-N 3.36Å; Q1345-I1347 VanDerWaalsContact C-N 3.32Å; Q1345-I1347 PolarHBondContact O-N 3.28Å; I1347-I1349 VanDerWaalsContact C-N 3.32Å; I1347-I1349 PolarHBondContact O-N 2.94Å; I1347-L1350 WeakPolarHBondContact O-CB 3.45Å; I1347-L1350 PolarHBondContact O-N 3.15Å; I1347-L1350 VanDerWaalsContact O-N 3.16Å; I1347-E1351 HydrophobicContact CG2-CG 4.29Å; I1347-E1351 WeakPolarHBondContact O-CB 3.17Å; I1347-E1351 WeakPolarHBondContact O-CG 3.3Å; I1347-E1351 PolarHBondContact O-N 3.07Å; I1347-W1581 HydrophobicContact CD1-CH2 4.06Å; I1347-W1581 HydrophobicContact CD1-CZ3 3.62Å; I1347-W1581 HydrophobicContact CG1-CH2 4.2Å; I1347-W1581 HydrophobicContact CG1-CZ3 4.17Å; I1347-A1584 HydrophobicContact CD1-CB 4.19Å; I1347-L1585 HydrophobicContact CG2-CD2 3.74Å; I1347-S1588 VanDerWaalsContact CG2-OG 3.28Å; I1347-S1588 WeakPolarHBondContact CG2-OG 3.43Å |
| 1348 | C | 64.4 | Low | 63.2 | Low | 24.4 Ų | 24.4 | 61.3 Ų | 61.3 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | L1344 Q1345 L1350 E1351 S1352 S1588 L1592 | L1344-C1348 WeakPolarHBondContact O-CB 3.3Å; L1344-C1348 PolarHBondContact O-N 3.21Å; L1344-C1348 PolarHBondContact O-SG 3.32Å; Q1345-C1348 WeakPolarHBondContact O-CB 3.42Å; Q1345-C1348 PolarHBondContact O-N 3.17Å; C1348-L1350 PolarHBondContact O-N 2.78Å; C1348-E1351 PolarHBondContact O-N 3.07Å; C1348-S1352 VanDerWaalsContact O-CB 3.24Å; C1348-S1352 WeakPolarHBondContact O-CB 3.37Å; C1348-S1352 PolarHBondContact O-N 3.07Å; C1348-S1352 VanDerWaalsContact O-N 3.12Å; C1348-S1352 PolarHBondContact O-OG 3.16Å; C1348-S1588 VanDerWaalsContact SG-CB 3.58Å; C1348-L1592 HydrophobicContact CB-CD1 4.49Å; C1348-L1592 HydrophobicContact CB-CD2 4.28Å; C1348-L1592 HydrophobicContact CB-CG 4.31Å |
| 1349 | I | 65.8 | Low | 63.1 | Low | 90 Ų | 90 | 59.9 Ų | 59.9 | 46% | 0.462 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.3 | -66.7 | 164.3 | 0 | 0 | 0 | 110.6 | Q1345 S1346 I1347 S1352 N1353 | Q1345-I1349 HydrophobicContact CG-CD1 4.31Å; Q1345-I1349 WeakPolarHBondContact O-CD1 3.22Å; Q1345-I1349 VanDerWaalsContact O-CG1 3.26Å; Q1345-I1349 WeakPolarHBondContact O-CG1 3.35Å; Q1345-I1349 PolarHBondContact O-N 3.08Å; Q1345-I1349 VanDerWaalsContact O-N 3.09Å; S1346-I1349 PolarHBondContact O-N 3.25Å; I1347-I1349 VanDerWaalsContact C-N 3.32Å; I1347-I1349 PolarHBondContact O-N 2.94Å; I1349-S1352 PolarHBondContact O-N 3.28Å; I1349-S1352 PolarHBondContact O-OG 3.17Å; I1349-N1353 WeakPolarHBondContact CG2-ND2 3.31Å; I1349-N1353 VanDerWaalsContact O-CB 3.25Å; I1349-N1353 WeakPolarHBondContact O-CB 3.33Å; I1349-N1353 VanDerWaalsContact O-CG 3.32Å; I1349-N1353 PolarHBondContact O-N 3.2Å; I1349-N1353 PolarHBondContact O-ND2 2.98Å; I1349-N1353 PolarHBondContact O-OD1 3.5Å |
| 1350 | L | 67 | Low | 63 | Low | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 178.7 | -167.9 | 84.4 | 0 | 0 | 0 | 111.7 | M1333 L1334 I1337 K1340 P1341 S1346 I1347 C1348 S1352 N1353 I1354 | M1333-L1350 HydrophobicContact CE-CD1 3.96Å; L1334-L1350 HydrophobicContact CD2-CD1 3.98Å; I1337-L1350 HydrophobicContact CB-CD2 3.88Å; I1337-L1350 HydrophobicContact CD1-CB 3.95Å; I1337-L1350 HydrophobicContact CD1-CD1 3.61Å; I1337-L1350 HydrophobicContact CD1-CG 4.28Å; I1337-L1350 HydrophobicContact CG1-CD2 4.3Å; I1337-L1350 HydrophobicContact CG2-CD1 4.47Å; I1337-L1350 HydrophobicContact CG2-CD2 3.36Å; I1337-L1350 WeakPolarHBondContact O-CD1 3.16Å; I1337-L1350 VanDerWaalsContact O-CD2 3.28Å; I1337-L1350 WeakPolarHBondContact O-CD2 3.46Å; K1340-L1350 HydrophobicContact CD-CD2 3.43Å; P1341-L1350 HydrophobicContact CG-CD2 4.31Å; S1346-L1350 WeakPolarHBondContact O-CB 3.4Å; S1346-L1350 PolarHBondContact O-N 2.95Å; I1347-L1350 WeakPolarHBondContact O-CB 3.45Å; I1347-L1350 PolarHBondContact O-N 3.15Å; I1347-L1350 VanDerWaalsContact O-N 3.16Å; C1348-L1350 PolarHBondContact O-N 2.78Å; L1350-S1352 VanDerWaalsContact C-N 3.34Å; L1350-S1352 PolarHBondContact O-N 3.31Å; L1350-N1353 WeakPolarHBondContact O-CB 3.45Å; L1350-N1353 PolarHBondContact O-N 3.09Å; L1350-I1354 HydrophobicContact CD1-CD1 4.04Å; L1350-I1354 HydrophobicContact CD1-CG1 4.41Å; L1350-I1354 HydrophobicContact CD2-CD1 4.02Å; L1350-I1354 HydrophobicContact CD2-CG1 4.34Å; L1350-I1354 HydrophobicContact CG-CD1 3.92Å; L1350-I1354 WeakPolarHBondContact O-CB 3.29Å; L1350-I1354 VanDerWaalsContact O-CG1 3.31Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.31Å; L1350-I1354 PolarHBondContact O-N 3.16Å |
| 1351 | E | 69.3 | Low | 62.5 | Low | 8.2 Ų | 8.2 | 61.9 Ų | 61.9 | 4% | 0.038 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 177.5 | -72 | -69.7 | 134.8 | 0 | 0 | 112.3 | I1347 C1348 N1353 I1354 N1355 S1502 P1503 M1504 L1589 L1592 | I1347-E1351 HydrophobicContact CG2-CG 4.29Å; I1347-E1351 WeakPolarHBondContact O-CB 3.17Å; I1347-E1351 WeakPolarHBondContact O-CG 3.3Å; I1347-E1351 PolarHBondContact O-N 3.07Å; C1348-E1351 PolarHBondContact O-N 3.07Å; E1351-N1353 VanDerWaalsContact C-N 3.34Å; E1351-N1353 PolarHBondContact O-N 3.12Å; E1351-I1354 PolarHBondContact O-N 3.18Å; E1351-N1355 VanDerWaalsContact O-CB 3.28Å; E1351-N1355 WeakPolarHBondContact O-CB 3.31Å; E1351-N1355 VanDerWaalsContact O-CG 3.24Å; E1351-N1355 PolarHBondContact O-N 3.25Å; E1351-N1355 PolarHBondContact O-ND2 2.06Å; E1351-S1502 VanDerWaalsContact CD-OG 3.28Å; E1351-S1502 VanDerWaalsContact OE1-CA 3.23Å; E1351-S1502 WeakPolarHBondContact OE1-CA 3.29Å; E1351-S1502 WeakPolarHBondContact OE1-CB 3.32Å; E1351-S1502 PolarHBondContact OE1-OG 3.06Å; E1351-S1502 VanDerWaalsContact OE1-OG 3.14Å; E1351-S1502 WeakPolarHBondContact OE2-CB 3.37Å; E1351-S1502 PolarHBondContact OE2-OG 3.12Å; E1351-P1503 WeakPolarHBondContact OE1-CD 3.11Å; E1351-P1503 WeakPolarHBondContact OE2-CD 3.36Å; E1351-M1504 WeakPolarHBondContact OE2-CG 3.16Å; E1351-M1504 PolarHBondContact OE2-N 3.14Å; E1351-L1589 HydrophobicContact CG-CD2 4.2Å; E1351-L1592 HydrophobicContact CB-CD1 3.63Å; E1351-L1592 VanDerWaalsContact CB-CD1 3.45Å; E1351-L1592 HydrophobicContact CG-CD1 4.43Å |
| 1352 | S | 67 | Low | 61.9 | Low | 44.4 Ų | 44.4 | 64.4 Ų | 64.4 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.1 | 146 | 0 | 0 | 0 | 0 | 112 | C1348 I1349 L1350 N1355 R1356 | C1348-S1352 VanDerWaalsContact O-CB 3.24Å; C1348-S1352 WeakPolarHBondContact O-CB 3.37Å; C1348-S1352 PolarHBondContact O-N 3.07Å; C1348-S1352 VanDerWaalsContact O-N 3.12Å; C1348-S1352 PolarHBondContact O-OG 3.16Å; I1349-S1352 PolarHBondContact O-N 3.28Å; I1349-S1352 PolarHBondContact O-OG 3.17Å; L1350-S1352 VanDerWaalsContact C-N 3.34Å; L1350-S1352 PolarHBondContact O-N 3.31Å; S1352-N1355 PolarHBondContact O-N 3.11Å; S1352-R1356 VanDerWaalsContact O-CB 3.24Å; S1352-R1356 WeakPolarHBondContact O-CB 3.35Å; S1352-R1356 WeakPolarHBondContact O-CG 3.4Å; S1352-R1356 PolarHBondContact O-N 3.25Å |
| 1353 | N | 65.5 | Low | 60.9 | Low | 24.4 Ų | 24.4 | 62.2 Ų | 62.2 | 13% | 0.13 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.9 | -43.4 | 177 | -71.9 | -20.7 | 0 | 0 | 0 | 111.8 | M1239 M1333 I1349 L1350 E1351 N1355 R1356 F1357 | M1239-N1353 HydrophobicContact CE-CB 4.34Å; M1333-N1353 HydrophobicContact CE-CB 3.7Å; M1333-N1353 VanDerWaalsContact CE-CG 3.47Å; M1333-N1353 VanDerWaalsContact CE-OD1 3.25Å; M1333-N1353 WeakPolarHBondContact CE-OD1 3.21Å; M1333-N1353 WeakPolarHBondContact CG-ND2 3.29Å; M1333-N1353 PolarHBondContact O-ND2 3.19Å; M1333-N1353 HydrophobicContact SD-CB 4.4Å; M1333-N1353 PolarHBondContact SD-ND2 3.26Å; M1333-N1353 PolarHBondContact SD-OD1 3.21Å; I1349-N1353 WeakPolarHBondContact CG2-ND2 3.31Å; I1349-N1353 VanDerWaalsContact O-CB 3.25Å; I1349-N1353 WeakPolarHBondContact O-CB 3.33Å; I1349-N1353 VanDerWaalsContact O-CG 3.32Å; I1349-N1353 PolarHBondContact O-N 3.2Å; I1349-N1353 PolarHBondContact O-ND2 2.98Å; I1349-N1353 PolarHBondContact O-OD1 3.5Å; L1350-N1353 WeakPolarHBondContact O-CB 3.45Å; L1350-N1353 PolarHBondContact O-N 3.09Å; E1351-N1353 VanDerWaalsContact C-N 3.34Å; E1351-N1353 PolarHBondContact O-N 3.12Å; N1353-N1355 VanDerWaalsContact C-N 3.3Å; N1353-N1355 PolarHBondContact O-N 2.86Å; N1353-R1356 CarbonylContact O-C 3.57Å; N1353-R1356 WeakPolarHBondContact O-CA 3.41Å; N1353-R1356 WeakPolarHBondContact O-CB 3.39Å; N1353-R1356 PolarHBondContact O-N 3.2Å; N1353-R1356 PolarHBondContact OD1-NH1 3.12Å; N1353-F1357 VanDerWaalsContact C-CD2 3.48Å; N1353-F1357 HydrophobicContact CB-CE2 4.2Å; N1353-F1357 VanDerWaalsContact O-CB 3.31Å; N1353-F1357 WeakPolarHBondContact O-CB 3.44Å; N1353-F1357 WeakPolarHBondContact O-CD2 3.35Å; N1353-F1357 PolarHBondContact O-N 3.06Å |
| 1354 | I | 68.1 | Low | 59.7 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.6 | -69.3 | 172.3 | 0 | 0 | 0 | 110.5 | I1292 L1334 I1337 L1350 E1351 R1356 F1357 I1358 L1499 S1502 F1505 | I1292-I1354 HydrophobicContact CD1-CG2 4.49Å; I1292-I1354 HydrophobicContact CG1-CG2 4.2Å; L1334-I1354 HydrophobicContact CD1-CG1 4.37Å; L1334-I1354 HydrophobicContact CD2-CD1 4.21Å; L1334-I1354 HydrophobicContact CD2-CG1 3.94Å; I1337-I1354 HydrophobicContact CG2-CD1 4.31Å; L1350-I1354 HydrophobicContact CD1-CD1 4.04Å; L1350-I1354 HydrophobicContact CD1-CG1 4.41Å; L1350-I1354 HydrophobicContact CD2-CD1 4.02Å; L1350-I1354 HydrophobicContact CD2-CG1 4.34Å; L1350-I1354 HydrophobicContact CG-CD1 3.92Å; L1350-I1354 WeakPolarHBondContact O-CB 3.29Å; L1350-I1354 VanDerWaalsContact O-CG1 3.31Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.31Å; L1350-I1354 PolarHBondContact O-N 3.16Å; E1351-I1354 PolarHBondContact O-N 3.18Å; I1354-R1356 VanDerWaalsContact C-N 3.29Å; I1354-R1356 PolarHBondContact O-N 2.97Å; I1354-F1357 CarbonylContact O-C 3.46Å; I1354-F1357 WeakPolarHBondContact O-CB 3.33Å; I1354-F1357 PolarHBondContact O-N 3.22Å; I1354-F1357 VanDerWaalsContact O-N 3.11Å; I1354-I1358 HydrophobicContact CG2-CD1 3.6Å; I1354-I1358 VanDerWaalsContact CG2-CD1 3.48Å; I1354-I1358 HydrophobicContact CG2-CG1 4.27Å; I1354-I1358 WeakPolarHBondContact O-CB 3.33Å; I1354-I1358 VanDerWaalsContact O-CG1 3.27Å; I1354-I1358 WeakPolarHBondContact O-CG1 3.38Å; I1354-I1358 PolarHBondContact O-N 3.17Å; I1354-L1499 HydrophobicContact CG1-CD2 4.44Å; I1354-L1499 HydrophobicContact CG2-CD2 3.94Å; I1354-S1502 WeakPolarHBondContact CG2-OG 3.27Å; I1354-F1505 HydrophobicContact CG2-CB 4.39Å |
| 1355 | N | 66.4 | Low | 58.7 | Low | 47.6 Ų | 47.6 | 66.7 Ų | 66.7 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 174.3 | -152.8 | 8.8 | 0 | 0 | 0 | 111.5 | E1351 S1352 N1353 F1357 I1358 L1359 M1504 | E1351-N1355 VanDerWaalsContact O-CB 3.28Å; E1351-N1355 WeakPolarHBondContact O-CB 3.31Å; E1351-N1355 VanDerWaalsContact O-CG 3.24Å; E1351-N1355 PolarHBondContact O-N 3.25Å; E1351-N1355 PolarHBondContact O-ND2 2.06Å; S1352-N1355 PolarHBondContact O-N 3.11Å; N1353-N1355 VanDerWaalsContact C-N 3.3Å; N1353-N1355 PolarHBondContact O-N 2.86Å; N1355-F1357 VanDerWaalsContact C-N 3.33Å; N1355-F1357 PolarHBondContact O-N 3.35Å; N1355-I1358 PolarHBondContact O-N 3.01Å; N1355-L1359 HydrophobicContact CB-CD1 4.31Å; N1355-L1359 VanDerWaalsContact O-CB 3.24Å; N1355-L1359 WeakPolarHBondContact O-CB 3.44Å; N1355-L1359 WeakPolarHBondContact O-CD1 3.46Å; N1355-L1359 VanDerWaalsContact O-CG 3.29Å; N1355-L1359 WeakPolarHBondContact O-CG 3.27Å; N1355-L1359 PolarHBondContact O-N 3.24Å; N1355-L1359 VanDerWaalsContact OD1-CD1 3.26Å; N1355-L1359 WeakPolarHBondContact OD1-CD1 3.37Å; N1355-L1359 WeakPolarHBondContact OD1-CG 3.42Å; N1355-M1504 HydrophobicContact CB-CE 3.97Å; N1355-M1504 HydrophobicContact CB-CG 4.26Å; N1355-M1504 HydrophobicContact CB-SD 3.71Å; N1355-M1504 VanDerWaalsContact OD1-CE 3.28Å; N1355-M1504 WeakPolarHBondContact OD1-CE 3.24Å |
| 1356 | R | 62.7 | Low | 57.7 | Low | 142.2 Ų | 142.2 | 63.8 Ų | 63.8 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 171.8 | -114.1 | -179.1 | -139 | 144.2 | 0.8 | 112.3 | S1352 N1353 I1354 L1359 S1360 | S1352-R1356 VanDerWaalsContact O-CB 3.24Å; S1352-R1356 WeakPolarHBondContact O-CB 3.35Å; S1352-R1356 WeakPolarHBondContact O-CG 3.4Å; S1352-R1356 PolarHBondContact O-N 3.25Å; N1353-R1356 CarbonylContact O-C 3.57Å; N1353-R1356 WeakPolarHBondContact O-CA 3.41Å; N1353-R1356 WeakPolarHBondContact O-CB 3.39Å; N1353-R1356 PolarHBondContact O-N 3.2Å; N1353-R1356 PolarHBondContact OD1-NH1 3.12Å; I1354-R1356 VanDerWaalsContact C-N 3.29Å; I1354-R1356 PolarHBondContact O-N 2.97Å; R1356-L1359 PolarHBondContact O-N 2.83Å; R1356-S1360 VanDerWaalsContact O-CA 3.29Å; R1356-S1360 WeakPolarHBondContact O-CA 3.38Å; R1356-S1360 WeakPolarHBondContact O-CB 3.38Å; R1356-S1360 PolarHBondContact O-N 3.2Å; R1356-S1360 PolarHBondContact O-OG 2.95Å |
| 1357 | F | 64 | Low | 56.9 | Low | 10.8 Ų | 10.8 | 70.3 Ų | 70.3 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176.8 | -169.6 | -104.4 | 0 | 0 | 0 | 113.2 | D1265 I1268 D1269 I1272 P1330 W1331 M1333 L1334 N1353 I1354 N1355 L1359 S1360 K1483 F1487 L1499 | D1265-F1357 HydrophobicContact CB-CD2 3.74Å; D1265-F1357 HydrophobicContact CB-CE2 3.82Å; D1265-F1357 WeakPolarHBondContact O-CE2 3.48Å; I1268-F1357 HydrophobicContact CB-CD1 4.17Å; I1268-F1357 HydrophobicContact CB-CD2 3.88Å; I1268-F1357 HydrophobicContact CB-CE1 4.23Å; I1268-F1357 HydrophobicContact CB-CE2 3.97Å; I1268-F1357 HydrophobicContact CB-CG 3.97Å; I1268-F1357 HydrophobicContact CB-CZ 4.11Å; I1268-F1357 HydrophobicContact CD1-CB 3.78Å; I1268-F1357 HydrophobicContact CD1-CD2 4.1Å; I1268-F1357 HydrophobicContact CD1-CG 3.93Å; I1268-F1357 HydrophobicContact CG2-CB 4.39Å; I1268-F1357 HydrophobicContact CG2-CD1 3.38Å; I1268-F1357 HydrophobicContact CG2-CD2 4.03Å; I1268-F1357 HydrophobicContact CG2-CE1 3.51Å; I1268-F1357 HydrophobicContact CG2-CE2 4.15Å; I1268-F1357 HydrophobicContact CG2-CG 3.64Å; I1268-F1357 HydrophobicContact CG2-CZ 3.88Å; D1269-F1357 HydrophobicContact CB-CE2 4.36Å; D1269-F1357 HydrophobicContact CB-CZ 3.93Å; I1272-F1357 HydrophobicContact CD1-CD1 4.3Å; I1272-F1357 HydrophobicContact CD1-CE1 3.63Å; I1272-F1357 HydrophobicContact CD1-CZ 4.44Å; P1330-F1357 HydrophobicContact CB-CB 4.28Å; P1330-F1357 HydrophobicContact CB-CD1 4.08Å; P1330-F1357 HydrophobicContact CB-CD2 4.25Å; P1330-F1357 HydrophobicContact CB-CE1 3.43Å; P1330-F1357 VanDerWaalsContact CB-CE1 3.43Å; P1330-F1357 HydrophobicContact CB-CE2 4.1Å; P1330-F1357 HydrophobicContact CB-CZ 3.45Å; P1330-F1357 VanDerWaalsContact CB-CZ 3.45Å; P1330-F1357 HydrophobicContact CG-CB 3.97Å; P1330-F1357 HydrophobicContact CG-CD1 3.8Å; P1330-F1357 HydrophobicContact CG-CD2 4.18Å; P1330-F1357 HydrophobicContact CG-CE1 3.58Å; P1330-F1357 HydrophobicContact CG-CZ 4.12Å; P1330-F1357 WeakPolarHBondContact O-CE1 3.48Å; P1330-F1357 WeakPolarHBondContact O-CZ 3.37Å; W1331-F1357 HydrophobicContact CB-CD2 4.13Å; W1331-F1357 HydrophobicContact CB-CE2 3.9Å; W1331-F1357 HydrophobicContact CB-CZ 4.29Å; W1331-F1357 AromaticContact CD2-CD1 3.88Å; W1331-F1357 HydrophobicContact CD2-CD1 3.88Å; W1331-F1357 AromaticContact CD2-CE1 3.82Å; W1331-F1357 HydrophobicContact CD2-CE1 3.82Å; W1331-F1357 AromaticContact CE2-CD1 3.91Å; W1331-F1357 AromaticContact CE3-CD1 3.91Å; W1331-F1357 HydrophobicContact CE3-CD1 3.91Å; W1331-F1357 AromaticContact CE3-CE1 3.83Å; W1331-F1357 HydrophobicContact CE3-CE1 3.83Å; W1331-F1357 HydrophobicContact CG-CE1 4.16Å; W1331-F1357 HydrophobicContact CG-CE2 4.24Å; W1331-F1357 HydrophobicContact CH2-CD1 4.08Å; W1331-F1357 HydrophobicContact CH2-CE2 4.26Å; W1331-F1357 HydrophobicContact CZ2-CD1 4.03Å; W1331-F1357 AromaticContact CZ2-CE2 3.8Å; W1331-F1357 HydrophobicContact CZ2-CE2 3.8Å; W1331-F1357 HydrophobicContact CZ3-CD1 4.01Å; W1331-F1357 HydrophobicContact CZ3-CE1 4.33Å; W1331-F1357 VanDerWaalsContact N-CE1 3.33Å; M1333-F1357 HydrophobicContact CE-CE2 4.02Å; M1333-F1357 HydrophobicContact CE-CZ 4.3Å; L1334-F1357 HydrophobicContact CD1-CE1 3.91Å; L1334-F1357 HydrophobicContact CD1-CE2 4.06Å; L1334-F1357 HydrophobicContact CD1-CZ 3.65Å; L1334-F1357 HydrophobicContact CD2-CZ 4.49Å; L1334-F1357 HydrophobicContact CG-CE1 4.35Å; L1334-F1357 HydrophobicContact CG-CE2 4.18Å; L1334-F1357 HydrophobicContact CG-CZ 3.7Å; N1353-F1357 VanDerWaalsContact C-CD2 3.48Å; N1353-F1357 HydrophobicContact CB-CE2 4.2Å; N1353-F1357 VanDerWaalsContact O-CB 3.31Å; N1353-F1357 WeakPolarHBondContact O-CB 3.44Å; N1353-F1357 WeakPolarHBondContact O-CD2 3.35Å; N1353-F1357 PolarHBondContact O-N 3.06Å; I1354-F1357 CarbonylContact O-C 3.46Å; I1354-F1357 WeakPolarHBondContact O-CB 3.33Å; I1354-F1357 PolarHBondContact O-N 3.22Å; I1354-F1357 VanDerWaalsContact O-N 3.11Å; N1355-F1357 VanDerWaalsContact C-N 3.33Å; N1355-F1357 PolarHBondContact O-N 3.35Å; F1357-L1359 VanDerWaalsContact C-N 3.33Å; F1357-S1360 WeakPolarHBondContact CA-OG 3.4Å; F1357-S1360 PolarHBondContact O-N 2.96Å; F1357-S1360 PolarHBondContact O-OG 3.08Å; F1357-S1360 VanDerWaalsContact O-OG 3.11Å; F1357-K1483 HydrophobicContact CE1-CD 4.22Å; F1357-K1483 HydrophobicContact CZ-CD 4.04Å; F1357-K1483 PolarHBondContact O-NZ 3.31Å; F1357-K1483 VanDerWaalsContact O-NZ 3.09Å; F1357-F1487 HydrophobicContact CE1-CE2 4.12Å; F1357-F1487 HydrophobicContact CE1-CZ 4.45Å; F1357-F1487 HydrophobicContact CE2-CZ 4.33Å; F1357-F1487 AromaticContact CZ-CE2 3.68Å; F1357-F1487 HydrophobicContact CZ-CE2 3.68Å; F1357-F1487 AromaticContact CZ-CZ 3.67Å; F1357-F1487 HydrophobicContact CZ-CZ 3.67Å; F1357-L1499 HydrophobicContact CD1-CD2 4.37Å; F1357-L1499 HydrophobicContact CE1-CD1 4.38Å; F1357-L1499 HydrophobicContact CE1-CD2 4.4Å |
| 1358 | I | 62.6 | Low | 56.1 | Low | 30.8 Ų | 30.8 | 76.6 Ų | 76.6 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.1 | -35.7 | 177.9 | -65.9 | 167.2 | 0 | 0 | 0 | 110.8 | I1292 I1354 N1355 L1480 F1505 R1508 | I1292-I1358 HydrophobicContact CD1-CD1 3.34Å; I1292-I1358 HydrophobicContact CG1-CD1 4.11Å; I1354-I1358 HydrophobicContact CG2-CD1 3.6Å; I1354-I1358 VanDerWaalsContact CG2-CD1 3.48Å; I1354-I1358 HydrophobicContact CG2-CG1 4.27Å; I1354-I1358 WeakPolarHBondContact O-CB 3.33Å; I1354-I1358 VanDerWaalsContact O-CG1 3.27Å; I1354-I1358 WeakPolarHBondContact O-CG1 3.38Å; I1354-I1358 PolarHBondContact O-N 3.17Å; N1355-I1358 PolarHBondContact O-N 3.01Å; I1358-L1480 HydrophobicContact CG1-CD2 4.4Å; I1358-L1480 HydrophobicContact CG2-CD1 3.92Å; I1358-L1480 HydrophobicContact CG2-CD2 4.29Å; I1358-F1505 HydrophobicContact CD1-CB 3.87Å; I1358-F1505 HydrophobicContact CD1-CD2 3.96Å; I1358-F1505 HydrophobicContact CD1-CG 4.44Å; I1358-F1505 HydrophobicContact CG1-CD2 4.33Å; I1358-R1508 HydrophobicContact CG2-CG 4.33Å; I1358-R1508 PolarHBondContact O-NH1 3.45Å |
| 1359 | L | 54.2 | Low | 55.4 | Low | 112.2 Ų | 112.2 | 78.4 Ų | 78.4 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -87.4 | -17.5 | 179 | -69.4 | 172.1 | 0 | 0 | 0 | 113.9 | N1355 R1356 F1357 K1361 R1508 | N1355-L1359 HydrophobicContact CB-CD1 4.31Å; N1355-L1359 VanDerWaalsContact O-CB 3.24Å; N1355-L1359 WeakPolarHBondContact O-CB 3.44Å; N1355-L1359 WeakPolarHBondContact O-CD1 3.46Å; N1355-L1359 VanDerWaalsContact O-CG 3.29Å; N1355-L1359 WeakPolarHBondContact O-CG 3.27Å; N1355-L1359 PolarHBondContact O-N 3.24Å; N1355-L1359 VanDerWaalsContact OD1-CD1 3.26Å; N1355-L1359 WeakPolarHBondContact OD1-CD1 3.37Å; N1355-L1359 WeakPolarHBondContact OD1-CG 3.42Å; R1356-L1359 PolarHBondContact O-N 2.83Å; F1357-L1359 VanDerWaalsContact C-N 3.33Å; L1359-K1361 PolarHBondContact O-N 3.21Å; L1359-K1361 VanDerWaalsContact O-N 3.1Å; L1359-R1508 VanDerWaalsContact CD2-NH1 3.28Å |
| 1360 | S | 54.3 | Low | 54.9 | Low | 40 Ų | 40 | 78.5 Ų | 78.5 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | trans | -70.1 | 85.2 | 175.8 | 66.4 | 0 | 0 | 0 | 0 | 109.3 | D1265 R1356 F1357 H1362 | D1265-S1360 PolarHBondContact OD2-OG 3.15Å; R1356-S1360 VanDerWaalsContact O-CA 3.29Å; R1356-S1360 WeakPolarHBondContact O-CA 3.38Å; R1356-S1360 WeakPolarHBondContact O-CB 3.38Å; R1356-S1360 PolarHBondContact O-N 3.2Å; R1356-S1360 PolarHBondContact O-OG 2.95Å; F1357-S1360 WeakPolarHBondContact CA-OG 3.4Å; F1357-S1360 PolarHBondContact O-N 2.96Å; F1357-S1360 PolarHBondContact O-OG 3.08Å; F1357-S1360 VanDerWaalsContact O-OG 3.11Å; S1360-H1362 VanDerWaalsContact C-N 3.28Å; S1360-H1362 PolarHBondContact O-N 3.04Å; S1360-H1362 VanDerWaalsContact O-N 3.1Å | ||
| 1361 | K | 48.2 | Very low | 54.5 | Low | 166.8 Ų | 166.8 | 78.9 Ų | 78.9 | 73% | 0.725 | 39% | 0.389 | S | S | * | . | trans | -56.8 | 94.8 | 148.9 | -69 | -178.1 | 169 | -169.2 | 0 | 106.7 | S656 L1359 S1363 | S656-K1361 WeakPolarHBondContact O-CD 3.48Å; S656-K1361 WeakPolarHBondContact O-CE 3.17Å; S656-K1361 PolarHBondContact O-NZ 2.89Å; L1359-K1361 PolarHBondContact O-N 3.21Å; L1359-K1361 VanDerWaalsContact O-N 3.1Å; K1361-S1363 VanDerWaalsContact C-N 3.27Å; K1361-S1363 PolarHBondContact O-N 2.95Å | ||
| 1362 | H | 46.1 | Very low | 54 | Low | 105.8 Ų | 105.8 | 81.1 Ų | 81.1 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | trans | -63.5 | 90.7 | -178.7 | -103.1 | -74.5 | 0 | 0 | 0 | 109.4 | W1331 S1360 N1364 | W1331-H1362 AromaticContact NE1-NE2 3.34Å; W1331-H1362 PolarHBondContact NE1-NE2 3.02Å; S1360-H1362 VanDerWaalsContact C-N 3.28Å; S1360-H1362 PolarHBondContact O-N 3.04Å; S1360-H1362 VanDerWaalsContact O-N 3.1Å; H1362-N1364 PolarHBondContact ND1-OD1 2.96Å; H1362-N1364 PolarHBondContact O-N 3.27Å; H1362-N1364 VanDerWaalsContact O-N 3.14Å | ||
| 1363 | S | 37.8 | Very low | 53.6 | Low | 78.2 Ų | 78.2 | 82.1 Ų | 82.1 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | trans | -74.6 | 106 | 175.9 | 55.1 | 0 | 0 | 0 | 0 | 107 | K1361 Q1365 | K1361-S1363 VanDerWaalsContact C-N 3.27Å; K1361-S1363 PolarHBondContact O-N 2.95Å; S1363-Q1365 PolarHBondContact O-N 3.17Å | ||
| 1364 | N | 40.7 | Very low | 53.2 | Low | 120.6 Ų | 120.6 | 85.4 Ų | 85.4 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | trans | -62.7 | 44.2 | -179.4 | -77.6 | -19.6 | 0 | 0 | 0 | 112.7 | E1309 H1362 L1366 | E1309-N1364 VanDerWaalsContact OE1-CB 3.29Å; E1309-N1364 WeakPolarHBondContact OE1-CB 3.48Å; E1309-N1364 PolarHBondContact OE1-ND2 3.2Å; E1309-N1364 PolarHBondContact OE2-ND2 3.31Å; H1362-N1364 PolarHBondContact ND1-OD1 2.96Å; H1362-N1364 PolarHBondContact O-N 3.27Å; H1362-N1364 VanDerWaalsContact O-N 3.14Å; N1364-L1366 VanDerWaalsContact C-N 3.25Å; N1364-L1366 PolarHBondContact O-N 3Å | ||
| 1365 | Q | 39.7 | Very low | 52.8 | Low | 143.6 Ų | 143.6 | 87.3 Ų | 87.3 | 67% | 0.671 | 43% | 0.433 | S | S | * | . | trans | -78.1 | 66.4 | 167.7 | -67.7 | -170.5 | -8.7 | 0 | 0 | 109.3 | Y652 S1363 K1367 | Y652-Q1365 PolarHBondContact O-NE2 3.07Å; S1363-Q1365 PolarHBondContact O-N 3.17Å; Q1365-K1367 VanDerWaalsContact C-N 3.3Å; Q1365-K1367 HydrophobicContact CB-CD 4.41Å; Q1365-K1367 HydrophobicContact CB-CG 4.11Å; Q1365-K1367 PolarHBondContact O-N 3.22Å; Q1365-K1367 VanDerWaalsContact OE1-CE 3.29Å | ||
| 1366 | L | 40.6 | Very low | 52.6 | Low | 76 Ų | 76 | 85.7 Ų | 85.7 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | trans | -67.8 | 77.4 | 168.8 | -74.4 | 161.8 | 0 | 0 | 0 | 109 | D1269 I1305 N1308 I1312 N1364 Q1368 L1369 | D1269-L1366 HydrophobicContact CB-CD1 4.27Å; D1269-L1366 WeakPolarHBondContact OD1-CD2 3.47Å; I1305-L1366 HydrophobicContact CG1-CD1 4.01Å; I1305-L1366 HydrophobicContact CG2-CD1 4.42Å; N1308-L1366 HydrophobicContact CB-CD2 3.82Å; I1312-L1366 HydrophobicContact CD1-CD2 4.49Å; N1364-L1366 VanDerWaalsContact C-N 3.25Å; N1364-L1366 PolarHBondContact O-N 3Å; L1366-Q1368 PolarHBondContact O-N 2.87Å; L1366-L1369 HydrophobicContact CB-CG 4.49Å; L1366-L1369 HydrophobicContact CD1-CD2 4.43Å; L1366-L1369 HydrophobicContact CD2-CD1 4.36Å; L1366-L1369 HydrophobicContact CD2-CD2 3.94Å; L1366-L1369 HydrophobicContact CD2-CG 4.31Å | ||
| 1367 | K | 45.4 | Very low | 52.5 | Low | 177.6 Ų | 177.6 | 82.7 Ų | 82.7 | 77% | 0.772 | 42% | 0.416 | S | S | * | . | trans | -69 | -17 | 177.3 | -77 | -178 | 179.3 | 176.1 | 0 | 111.8 | Q1365 L1369 | Q1365-K1367 VanDerWaalsContact C-N 3.3Å; Q1365-K1367 HydrophobicContact CB-CD 4.41Å; Q1365-K1367 HydrophobicContact CB-CG 4.11Å; Q1365-K1367 PolarHBondContact O-N 3.22Å; Q1365-K1367 VanDerWaalsContact OE1-CE 3.29Å; K1367-L1369 PolarHBondContact O-N 3.38Å; K1367-L1369 VanDerWaalsContact O-N 3.12Å | ||
| 1368 | Q | 47.7 | Very low | 52.3 | Low | 148.6 Ų | 148.6 | 84.3 Ų | 84.3 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | trans | -126.7 | 113.7 | 178.9 | -78.1 | 175 | -22.5 | 0 | 0 | 111.5 | N644 N1308 L1366 H1370 | N644-Q1368 PolarHBondContact O-NE2 2.94Å; N1308-Q1368 PolarHBondContact ND2-O 3.12Å; L1366-Q1368 PolarHBondContact O-N 2.87Å; Q1368-H1370 PolarHBondContact O-N 3.24Å | ||
| 1369 | L | 50.5 | Low | 52.3 | Low | 62.4 Ų | 62.4 | 83.4 Ų | 83.4 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | trans | -90.2 | 99.6 | 172.4 | -77.8 | 161.1 | 0 | 0 | 0 | 109.3 | I1272 L1304 N1308 L1366 K1367 L1371 | I1272-L1369 HydrophobicContact CG2-CD1 3.71Å; I1272-L1369 HydrophobicContact CG2-CD2 4.28Å; L1304-L1369 HydrophobicContact CD1-CD2 4.34Å; L1304-L1369 HydrophobicContact CD2-CD2 4.32Å; L1304-L1369 HydrophobicContact CG-CD2 4.32Å; N1308-L1369 HydrophobicContact CB-CD2 4.33Å; N1308-L1369 WeakPolarHBondContact OD1-CA 3.45Å; L1366-L1369 HydrophobicContact CB-CG 4.49Å; L1366-L1369 HydrophobicContact CD1-CD2 4.43Å; L1366-L1369 HydrophobicContact CD2-CD1 4.36Å; L1366-L1369 HydrophobicContact CD2-CD2 3.94Å; L1366-L1369 HydrophobicContact CD2-CG 4.31Å; K1367-L1369 PolarHBondContact O-N 3.38Å; K1367-L1369 VanDerWaalsContact O-N 3.12Å; L1369-L1371 VanDerWaalsContact C-N 3.29Å; L1369-L1371 PolarHBondContact O-N 3.39Å | ||
| 1370 | H | 55.4 | Low | 52.8 | Low | 92.2 Ų | 92.2 | 79 Ų | 79 | 43% | 0.427 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -74.6 | -14.1 | 172.2 | -80.8 | -84.8 | 0 | 0 | 0 | 111.5 | L641 N1308 L1311 I1312 Q1315 Q1368 T1372 | L641-H1370 WeakPolarHBondContact CD2-O 3.41Å; N1308-H1370 PolarHBondContact OD1-N 3.23Å; L1311-H1370 HydrophobicContact CB-CB 4.27Å; L1311-H1370 HydrophobicContact CD1-CB 4.23Å; I1312-H1370 WeakPolarHBondContact CG1-CD2 3.41Å; I1312-H1370 WeakPolarHBondContact CG1-NE2 3.41Å; Q1315-H1370 PolarHBondContact OE1-CE1 3.2Å; Q1315-H1370 VanDerWaalsContact OE1-CE1 3.26Å; Q1315-H1370 PolarHBondContact OE1-ND1 3.18Å; Q1368-H1370 PolarHBondContact O-N 3.24Å; H1370-T1372 VanDerWaalsContact C-N 3.33Å; H1370-T1372 PolarHBondContact O-N 3.02Å; H1370-T1372 VanDerWaalsContact O-N 3.11Å |
| 1371 | L | 58.9 | Low | 53.1 | Low | 19.4 Ų | 19.4 | 79.3 Ų | 79.3 | 10% | 0.102 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.9 | 112.8 | 168.6 | -152.8 | 83.2 | 0 | 0 | 0 | 108.8 | L1283 I1285 L1304 L1307 N1308 L1311 L1369 T1375 F1376 L1379 | L1283-L1371 HydrophobicContact CD1-CD1 4.34Å; L1283-L1371 HydrophobicContact CD2-CD1 4.23Å; I1285-L1371 HydrophobicContact CG2-CD1 4.15Å; L1304-L1371 HydrophobicContact CD1-CB 4.41Å; L1304-L1371 HydrophobicContact CD1-CD2 4.07Å; L1304-L1371 HydrophobicContact CD1-CG 4.42Å; L1307-L1371 HydrophobicContact CB-CD2 4.27Å; L1307-L1371 HydrophobicContact CD1-CD2 4.12Å; N1308-L1371 PolarHBondContact OD1-N 3.23Å; L1311-L1371 HydrophobicContact CD1-CB 3.92Å; L1311-L1371 HydrophobicContact CD1-CD1 4.33Å; L1369-L1371 VanDerWaalsContact C-N 3.29Å; L1369-L1371 PolarHBondContact O-N 3.39Å; L1371-T1375 WeakPolarHBondContact CA-OG1 3.37Å; L1371-T1375 HydrophobicContact CD1-CG2 3.9Å; L1371-T1375 WeakPolarHBondContact CD1-OG1 3.27Å; L1371-F1376 HydrophobicContact CB-CD2 4.44Å; L1371-F1376 HydrophobicContact CD2-CB 3.86Å; L1371-F1376 HydrophobicContact CD2-CD2 3.99Å; L1371-F1376 HydrophobicContact CD2-CG 4.3Å; L1371-F1376 HydrophobicContact CG-CB 4.28Å; L1371-L1379 HydrophobicContact CD2-CD1 3.5Å; L1371-L1379 VanDerWaalsContact CD2-CD1 3.5Å |
| 1372 | T | 59.3 | Low | 53.8 | Low | 54.2 Ų | 54.2 | 75.4 Ų | 75.4 | 33% | 0.333 | 38% | 0.38 | S | S | . | . | trans | -66 | 145.6 | 174.5 | 69.7 | 0 | 0 | 0 | 0 | 109.6 | G712 H1370 F1374 T1375 F1376 I1443 | G712-T1372 WeakPolarHBondContact O-CG2 3.24Å; H1370-T1372 VanDerWaalsContact C-N 3.33Å; H1370-T1372 PolarHBondContact O-N 3.02Å; H1370-T1372 VanDerWaalsContact O-N 3.11Å; T1372-F1374 CarbonylContact O-C 3.42Å; T1372-F1374 PolarHBondContact O-N 3.05Å; T1372-F1374 VanDerWaalsContact O-N 3.09Å; T1372-T1375 PolarHBondContact N-OG1 3.17Å; T1372-T1375 PolarHBondContact O-N 3.24Å; T1372-T1375 VanDerWaalsContact O-N 3.09Å; T1372-T1375 PolarHBondContact O-OG1 3.07Å; T1372-T1375 VanDerWaalsContact O-OG1 3.13Å; T1372-T1375 WeakPolarHBondContact OG1-CG2 3.17Å; T1372-T1375 PolarHBondContact OG1-N 3.22Å; T1372-T1375 VanDerWaalsContact OG1-N 3.09Å; T1372-T1375 PolarHBondContact OG1-OG1 3.15Å; T1372-T1375 VanDerWaalsContact OG1-OG1 3.06Å; T1372-F1376 VanDerWaalsContact O-CB 3.25Å; T1372-F1376 WeakPolarHBondContact O-CB 3.29Å; T1372-F1376 PolarHBondContact O-N 3.32Å; T1372-F1376 VanDerWaalsContact O-N 3.16Å; T1372-I1443 HydrophobicContact CG2-CD1 4.01Å | ||
| 1373 | P | 57 | Low | 54.8 | Low | 65.2 Ų | 65.2 | 70.8 Ų | 70.8 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.1 | -30.8 | 175.5 | -27.6 | 34.9 | 0 | 0 | 0 | 112.8 | F1376 H1377 I1426 | P1373-F1376 WeakPolarHBondContact O-CB 3.41Å; P1373-F1376 PolarHBondContact O-N 3.18Å; P1373-H1377 VanDerWaalsContact O-CB 3.26Å; P1373-H1377 WeakPolarHBondContact O-CB 3.25Å; P1373-H1377 PolarHBondContact O-CD2 3.23Å; P1373-H1377 VanDerWaalsContact O-CD2 3.28Å; P1373-H1377 PolarHBondContact O-N 2.96Å; P1373-H1377 PolarHBondContact O-ND1 3.4Å; P1373-I1426 HydrophobicContact CB-CD1 4.35Å |
| 1374 | F | 56.9 | Low | 56 | Low | 95 Ų | 95 | 69.7 Ų | 69.7 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -48.5 | 175.6 | -172.1 | -108.6 | 0 | 0 | 0 | 113.2 | Y685 L709 V713 I717 A723 M726 T1372 F1376 H1377 I1378 E1444 | Y685-F1374 HydrophobicContact CE1-CD2 4.3Å; Y685-F1374 AromaticContact CE1-CE2 3.63Å; Y685-F1374 HydrophobicContact CE1-CE2 3.63Å; Y685-F1374 HydrophobicContact CE1-CZ 4.26Å; L709-F1374 HydrophobicContact CB-CD2 4.25Å; V713-F1374 HydrophobicContact CG1-CD1 4.04Å; V713-F1374 HydrophobicContact CG1-CE1 4.44Å; V713-F1374 HydrophobicContact CG2-CB 3.46Å; V713-F1374 VanDerWaalsContact CG2-CB 3.46Å; V713-F1374 HydrophobicContact CG2-CD1 4.03Å; V713-F1374 HydrophobicContact CG2-CG 3.9Å; I717-F1374 HydrophobicContact CG2-CD1 4.2Å; I717-F1374 HydrophobicContact CG2-CE1 3.48Å; I717-F1374 VanDerWaalsContact CG2-CE1 3.48Å; I717-F1374 HydrophobicContact CG2-CZ 4.27Å; A723-F1374 HydrophobicContact CB-CE2 3.96Å; A723-F1374 HydrophobicContact CB-CZ 3.73Å; M726-F1374 HydrophobicContact CB-CE2 4.04Å; M726-F1374 HydrophobicContact CG-CD2 4.49Å; M726-F1374 HydrophobicContact CG-CE2 4.37Å; T1372-F1374 CarbonylContact O-C 3.42Å; T1372-F1374 PolarHBondContact O-N 3.05Å; T1372-F1374 VanDerWaalsContact O-N 3.09Å; F1374-F1376 VanDerWaalsContact C-N 3.29Å; F1374-F1376 PolarHBondContact O-N 3.2Å; F1374-H1377 CarbonylContact O-C 3.49Å; F1374-H1377 WeakPolarHBondContact O-CA 3.5Å; F1374-H1377 WeakPolarHBondContact O-CB 3.37Å; F1374-H1377 PolarHBondContact O-N 3.32Å; F1374-H1377 VanDerWaalsContact O-N 3.12Å; F1374-I1378 HydrophobicContact CD1-CD1 3.87Å; F1374-I1378 HydrophobicContact CD2-CD1 4.46Å; F1374-I1378 HydrophobicContact CE1-CD1 3.49Å; F1374-I1378 HydrophobicContact CE1-CG1 4.37Å; F1374-I1378 HydrophobicContact CE2-CD1 4.15Å; F1374-I1378 HydrophobicContact CE2-CG1 4.32Å; F1374-I1378 HydrophobicContact CG-CD1 4.39Å; F1374-I1378 HydrophobicContact CZ-CD1 3.67Å; F1374-I1378 VanDerWaalsContact CZ-CD1 3.44Å; F1374-I1378 HydrophobicContact CZ-CG1 4.37Å; F1374-I1378 WeakPolarHBondContact O-CG1 3.43Å; F1374-I1378 PolarHBondContact O-N 3.17Å; F1374-E1444 HydrophobicContact CE1-CG 4.42Å |
| 1375 | T | 60.1 | Low | 56.9 | Low | 43.2 Ų | 43.2 | 64.6 Ų | 64.6 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 175.7 | -11.6 | 0 | 0 | 0 | 0 | 111.5 | L639 Y1279 L1371 T1372 I1378 L1379 | L639-T1375 HydrophobicContact CD2-CG2 3.92Å; Y1279-T1375 HydrophobicContact CD1-CG2 4.5Å; Y1279-T1375 HydrophobicContact CE1-CG2 3.87Å; L1371-T1375 WeakPolarHBondContact CA-OG1 3.37Å; L1371-T1375 HydrophobicContact CD1-CG2 3.9Å; L1371-T1375 WeakPolarHBondContact CD1-OG1 3.27Å; T1372-T1375 PolarHBondContact N-OG1 3.17Å; T1372-T1375 PolarHBondContact O-N 3.24Å; T1372-T1375 VanDerWaalsContact O-N 3.09Å; T1372-T1375 PolarHBondContact O-OG1 3.07Å; T1372-T1375 VanDerWaalsContact O-OG1 3.13Å; T1372-T1375 WeakPolarHBondContact OG1-CG2 3.17Å; T1372-T1375 PolarHBondContact OG1-N 3.22Å; T1372-T1375 VanDerWaalsContact OG1-N 3.09Å; T1372-T1375 PolarHBondContact OG1-OG1 3.15Å; T1372-T1375 VanDerWaalsContact OG1-OG1 3.06Å; T1375-I1378 PolarHBondContact O-N 3.01Å; T1375-L1379 WeakPolarHBondContact O-CB 3.42Å; T1375-L1379 PolarHBondContact O-N 3.24Å |
| 1376 | F | 63.3 | Low | 57.9 | Low | 15.2 Ų | 15.2 | 58.1 Ų | 58.1 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 173.1 | -176 | -115.6 | 0 | 0 | 0 | 112.5 | A1289 I1292 F1293 S1300 L1303 L1304 L1307 L1371 T1372 P1373 F1374 I1378 L1379 L1380 | A1289-F1376 HydrophobicContact CB-CE2 4.35Å; I1292-F1376 HydrophobicContact CB-CZ 4Å; I1292-F1376 HydrophobicContact CD1-CZ 4.45Å; I1292-F1376 HydrophobicContact CG2-CE1 4.09Å; I1292-F1376 HydrophobicContact CG2-CZ 3.56Å; F1293-F1376 HydrophobicContact CD1-CD1 4.42Å; F1293-F1376 AromaticContact CD1-CE1 3.62Å; F1293-F1376 HydrophobicContact CD1-CE1 3.62Å; F1293-F1376 AromaticContact CD1-CZ 3.77Å; F1293-F1376 HydrophobicContact CD1-CZ 3.77Å; F1293-F1376 HydrophobicContact CD2-CE1 4.13Å; F1293-F1376 AromaticContact CD2-CE2 3.78Å; F1293-F1376 HydrophobicContact CD2-CE2 3.78Å; F1293-F1376 AromaticContact CD2-CZ 3.47Å; F1293-F1376 HydrophobicContact CD2-CZ 3.47Å; F1293-F1376 VanDerWaalsContact CD2-CZ 3.47Å; F1293-F1376 AromaticContact CE1-CD1 3.32Å; F1293-F1376 HydrophobicContact CE1-CD1 3.32Å; F1293-F1376 HydrophobicContact CE1-CD2 4.47Å; F1293-F1376 AromaticContact CE1-CE1 2.89Å; F1293-F1376 HydrophobicContact CE1-CE1 2.89Å; F1293-F1376 HydrophobicContact CE1-CE2 4.14Å; F1293-F1376 HydrophobicContact CE1-CG 4.11Å; F1293-F1376 AromaticContact CE1-CZ 3.35Å; F1293-F1376 HydrophobicContact CE1-CZ 3.35Å; F1293-F1376 AromaticContact CE2-CD1 3.9Å; F1293-F1376 HydrophobicContact CE2-CD1 3.9Å; F1293-F1376 AromaticContact CE2-CD2 3.51Å; F1293-F1376 HydrophobicContact CE2-CD2 3.51Å; F1293-F1376 AromaticContact CE2-CE1 3.51Å; F1293-F1376 HydrophobicContact CE2-CE1 3.51Å; F1293-F1376 AromaticContact CE2-CE2 3.03Å; F1293-F1376 HydrophobicContact CE2-CE2 3.03Å; F1293-F1376 AromaticContact CE2-CG 3.9Å; F1293-F1376 HydrophobicContact CE2-CG 3.9Å; F1293-F1376 AromaticContact CE2-CZ 3.01Å; F1293-F1376 HydrophobicContact CE2-CZ 3.01Å; F1293-F1376 HydrophobicContact CG-CE1 4.19Å; F1293-F1376 AromaticContact CG-CZ 3.84Å; F1293-F1376 HydrophobicContact CG-CZ 3.84Å; F1293-F1376 HydrophobicContact CZ-CB 4.4Å; F1293-F1376 AromaticContact CZ-CD1 3.01Å; F1293-F1376 HydrophobicContact CZ-CD1 3.01Å; F1293-F1376 AromaticContact CZ-CD2 3.45Å; F1293-F1376 HydrophobicContact CZ-CD2 3.45Å; F1293-F1376 VanDerWaalsContact CZ-CD2 3.45Å; F1293-F1376 AromaticContact CZ-CE1 2.86Å; F1293-F1376 HydrophobicContact CZ-CE1 2.86Å; F1293-F1376 AromaticContact CZ-CE2 3.29Å; F1293-F1376 HydrophobicContact CZ-CE2 3.29Å; F1293-F1376 AromaticContact CZ-CG 3.31Å; F1293-F1376 HydrophobicContact CZ-CG 3.31Å; F1293-F1376 AromaticContact CZ-CZ 2.98Å; F1293-F1376 HydrophobicContact CZ-CZ 2.98Å; S1300-F1376 VanDerWaalsContact O-CE1 3.29Å; S1300-F1376 WeakPolarHBondContact O-CE1 3.38Å; S1300-F1376 VanDerWaalsContact O-CZ 3.26Å; S1300-F1376 WeakPolarHBondContact O-CZ 3.34Å; L1303-F1376 HydrophobicContact CB-CE2 4.38Å; L1303-F1376 HydrophobicContact CB-CZ 4.23Å; L1303-F1376 HydrophobicContact CD2-CE2 4.01Å; L1303-F1376 HydrophobicContact CD2-CZ 4.13Å; L1303-F1376 HydrophobicContact CG-CE2 4.03Å; L1303-F1376 HydrophobicContact CG-CZ 4.24Å; L1304-F1376 HydrophobicContact CB-CD1 4.17Å; L1304-F1376 HydrophobicContact CB-CD2 4.36Å; L1304-F1376 HydrophobicContact CB-CE1 3.98Å; L1304-F1376 HydrophobicContact CB-CE2 4.29Å; L1304-F1376 HydrophobicContact CB-CG 4.4Å; L1304-F1376 HydrophobicContact CB-CZ 3.99Å; L1304-F1376 HydrophobicContact CD1-CB 3.97Å; L1304-F1376 HydrophobicContact CD1-CD1 4.13Å; L1304-F1376 HydrophobicContact CD1-CD2 4.05Å; L1304-F1376 HydrophobicContact CD1-CE1 4.42Å; L1304-F1376 HydrophobicContact CD1-CE2 4.49Å; L1304-F1376 HydrophobicContact CD1-CG 3.79Å; L1304-F1376 HydrophobicContact CD2-CD1 4.36Å; L1304-F1376 HydrophobicContact CG-CD1 4.42Å; L1304-F1376 HydrophobicContact CG-CE1 4.48Å; L1304-F1376 HydrophobicContact CG-CG 4.44Å; L1307-F1376 HydrophobicContact CD1-CD2 4.02Å; L1307-F1376 HydrophobicContact CD1-CE2 3.81Å; L1371-F1376 HydrophobicContact CB-CD2 4.44Å; L1371-F1376 HydrophobicContact CD2-CB 3.86Å; L1371-F1376 HydrophobicContact CD2-CD2 3.99Å; L1371-F1376 HydrophobicContact CD2-CG 4.3Å; L1371-F1376 HydrophobicContact CG-CB 4.28Å; T1372-F1376 VanDerWaalsContact O-CB 3.25Å; T1372-F1376 WeakPolarHBondContact O-CB 3.29Å; T1372-F1376 PolarHBondContact O-N 3.32Å; T1372-F1376 VanDerWaalsContact O-N 3.16Å; P1373-F1376 WeakPolarHBondContact O-CB 3.41Å; P1373-F1376 PolarHBondContact O-N 3.18Å; F1374-F1376 VanDerWaalsContact C-N 3.29Å; F1374-F1376 PolarHBondContact O-N 3.2Å; F1376-I1378 VanDerWaalsContact C-N 3.29Å; F1376-I1378 PolarHBondContact O-N 3.34Å; F1376-L1379 WeakPolarHBondContact O-CB 3.37Å; F1376-L1379 PolarHBondContact O-N 3.1Å; F1376-L1380 HydrophobicContact CD1-CD1 4.01Å; F1376-L1380 HydrophobicContact CD1-CG 4.48Å; F1376-L1380 HydrophobicContact CD2-CG 4.46Å; F1376-L1380 HydrophobicContact CE1-CD1 3.52Å; F1376-L1380 VanDerWaalsContact CE1-CD1 3.48Å; F1376-L1380 HydrophobicContact CE1-CG 4.13Å; F1376-L1380 HydrophobicContact CE2-CD1 4.17Å; F1376-L1380 HydrophobicContact CE2-CD2 4.32Å; F1376-L1380 HydrophobicContact CE2-CG 4.05Å; F1376-L1380 HydrophobicContact CZ-CD1 3.57Å; F1376-L1380 VanDerWaalsContact CZ-CD1 3.41Å; F1376-L1380 HydrophobicContact CZ-CD2 4.21Å; F1376-L1380 HydrophobicContact CZ-CG 3.88Å; F1376-L1380 WeakPolarHBondContact O-CB 3.22Å; F1376-L1380 PolarHBondContact O-N 3.04Å |
| 1377 | H | 59.2 | Low | 58.9 | Low | 78.4 Ų | 78.4 | 55.1 Ų | 55.1 | 36% | 0.363 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.7 | -121.3 | 26 | 0 | 0 | 0 | 112.5 | R667 L709 M726 P1373 F1374 L1379 L1380 S1381 W1429 L1436 | R667-H1377 PolarHBondContact NH2-NE2 3.29Å; L709-H1377 HydrophobicContact CD2-CB 4.28Å; M726-H1377 HydrophobicContact CE-CB 4.19Å; M726-H1377 HydrophobicContact CG-CB 4.33Å; M726-H1377 HydrophobicContact SD-CB 3.87Å; P1373-H1377 VanDerWaalsContact O-CB 3.26Å; P1373-H1377 WeakPolarHBondContact O-CB 3.25Å; P1373-H1377 PolarHBondContact O-CD2 3.23Å; P1373-H1377 VanDerWaalsContact O-CD2 3.28Å; P1373-H1377 PolarHBondContact O-N 2.96Å; P1373-H1377 PolarHBondContact O-ND1 3.4Å; F1374-H1377 CarbonylContact O-C 3.49Å; F1374-H1377 WeakPolarHBondContact O-CA 3.5Å; F1374-H1377 WeakPolarHBondContact O-CB 3.37Å; F1374-H1377 PolarHBondContact O-N 3.32Å; F1374-H1377 VanDerWaalsContact O-N 3.12Å; H1377-L1379 VanDerWaalsContact C-N 3.34Å; H1377-L1379 PolarHBondContact O-N 2.57Å; H1377-L1380 PolarHBondContact O-N 3.1Å; H1377-S1381 VanDerWaalsContact O-CB 3.3Å; H1377-S1381 WeakPolarHBondContact O-CB 3.29Å; H1377-S1381 PolarHBondContact O-N 3.11Å; H1377-S1381 PolarHBondContact O-OG 3.07Å; H1377-W1429 AromaticContact CE1-CZ2 3.93Å; H1377-L1436 PolarHBondContact NE2-O 3.38Å |
| 1378 | I | 60.2 | Low | 59.4 | Low | 44.2 Ų | 44.2 | 48.1 Ų | 48.1 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.1 | -63.3 | 167.4 | 0 | 0 | 0 | 110.5 | L639 M722 M726 Y1279 F1374 T1375 F1376 L1380 S1381 R1382 | L639-I1378 HydrophobicContact CD2-CD1 4.49Å; M722-I1378 HydrophobicContact CE-CB 4.29Å; M722-I1378 HydrophobicContact CE-CD1 4.04Å; M722-I1378 HydrophobicContact CE-CG1 3.95Å; M722-I1378 HydrophobicContact CE-CG2 3.45Å; M722-I1378 VanDerWaalsContact CE-CG2 3.45Å; M722-I1378 HydrophobicContact CG-CD1 3.98Å; M722-I1378 HydrophobicContact CG-CG1 4.36Å; M722-I1378 HydrophobicContact SD-CD1 3.72Å; M722-I1378 HydrophobicContact SD-CG1 4.27Å; M722-I1378 HydrophobicContact SD-CG2 4.38Å; M726-I1378 HydrophobicContact CE-CG1 3.92Å; Y1279-I1378 HydrophobicContact CE1-CG2 3.92Å; Y1279-I1378 WeakPolarHBondContact OH-CB 3.41Å; Y1279-I1378 WeakPolarHBondContact OH-CG2 3.31Å; Y1279-I1378 PolarHBondContact OH-O 3.06Å; F1374-I1378 HydrophobicContact CD1-CD1 3.87Å; F1374-I1378 HydrophobicContact CD2-CD1 4.46Å; F1374-I1378 HydrophobicContact CE1-CD1 3.49Å; F1374-I1378 HydrophobicContact CE1-CG1 4.37Å; F1374-I1378 HydrophobicContact CE2-CD1 4.15Å; F1374-I1378 HydrophobicContact CE2-CG1 4.32Å; F1374-I1378 HydrophobicContact CG-CD1 4.39Å; F1374-I1378 HydrophobicContact CZ-CD1 3.67Å; F1374-I1378 VanDerWaalsContact CZ-CD1 3.44Å; F1374-I1378 HydrophobicContact CZ-CG1 4.37Å; F1374-I1378 WeakPolarHBondContact O-CG1 3.43Å; F1374-I1378 PolarHBondContact O-N 3.17Å; T1375-I1378 PolarHBondContact O-N 3.01Å; F1376-I1378 VanDerWaalsContact C-N 3.29Å; F1376-I1378 PolarHBondContact O-N 3.34Å; I1378-L1380 VanDerWaalsContact C-N 3.33Å; I1378-L1380 PolarHBondContact O-N 3.21Å; I1378-S1381 WeakPolarHBondContact CA-OG 3.38Å; I1378-S1381 WeakPolarHBondContact O-CB 2.73Å; I1378-S1381 PolarHBondContact O-N 2.94Å; I1378-S1381 PolarHBondContact O-OG 2.99Å; I1378-S1381 VanDerWaalsContact O-OG 3.07Å; I1378-R1382 HydrophobicContact CG2-CG 4.22Å; I1378-R1382 WeakPolarHBondContact O-CB 3.37Å; I1378-R1382 VanDerWaalsContact O-CG 3.26Å; I1378-R1382 WeakPolarHBondContact O-CG 3.29Å; I1378-R1382 PolarHBondContact O-N 3.03Å |
| 1379 | L | 63.9 | Low | 59.6 | Low | 13.2 Ų | 13.2 | 43.5 Ų | 43.5 | 7% | 0.069 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.9 | -165.5 | 98.2 | 0 | 0 | 0 | 111.6 | Y1279 L1283 I1284 T1287 L1307 L1371 T1375 F1376 H1377 R1382 L1383 | Y1279-L1379 HydrophobicContact CD1-CD1 4.22Å; Y1279-L1379 HydrophobicContact CD2-CD1 4.33Å; Y1279-L1379 HydrophobicContact CE1-CD1 4.28Å; Y1279-L1379 HydrophobicContact CE2-CD1 4.44Å; Y1279-L1379 HydrophobicContact CG-CD1 4.33Å; L1283-L1379 HydrophobicContact CD2-CD1 4.04Å; L1283-L1379 VanDerWaalsContact CD2-CD1 3.47Å; L1283-L1379 HydrophobicContact CD2-CD2 3.98Å; L1283-L1379 HydrophobicContact CG-CD1 4.15Å; L1283-L1379 HydrophobicContact CG-CD2 4.17Å; I1284-L1379 HydrophobicContact CG1-CD1 4.31Å; T1287-L1379 HydrophobicContact CG2-CD1 4.02Å; T1287-L1379 HydrophobicContact CG2-CD2 3.52Å; T1287-L1379 VanDerWaalsContact CG2-CD2 3.48Å; T1287-L1379 HydrophobicContact CG2-CG 4.36Å; L1307-L1379 HydrophobicContact CD1-CD2 4.39Å; L1371-L1379 HydrophobicContact CD2-CD1 3.5Å; L1371-L1379 VanDerWaalsContact CD2-CD1 3.5Å; T1375-L1379 WeakPolarHBondContact O-CB 3.42Å; T1375-L1379 PolarHBondContact O-N 3.24Å; F1376-L1379 WeakPolarHBondContact O-CB 3.37Å; F1376-L1379 PolarHBondContact O-N 3.1Å; H1377-L1379 VanDerWaalsContact C-N 3.34Å; H1377-L1379 PolarHBondContact O-N 2.57Å; L1379-R1382 PolarHBondContact O-N 3.24Å; L1379-L1383 HydrophobicContact CD1-CD1 4.08Å; L1379-L1383 HydrophobicContact CD1-CG 4.36Å; L1379-L1383 HydrophobicContact CD2-CD1 3.74Å; L1379-L1383 HydrophobicContact CG-CD1 4.08Å; L1379-L1383 VanDerWaalsContact O-CB 3.31Å; L1379-L1383 WeakPolarHBondContact O-CB 3.34Å; L1379-L1383 WeakPolarHBondContact O-CG 3.38Å; L1379-L1383 PolarHBondContact O-N 3.31Å |
| 1380 | L | 64 | Low | 59.4 | Low | 18.4 Ų | 18.4 | 41.8 Ų | 41.8 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.6 | -106.5 | 164.9 | 0 | 0 | 0 | 112.4 | F1293 L1303 F1376 H1377 I1378 R1382 L1383 H1384 M1387 I1389 L1436 | F1293-L1380 HydrophobicContact CD1-CD1 3.47Å; F1293-L1380 VanDerWaalsContact CD1-CD1 3.47Å; F1293-L1380 HydrophobicContact CD2-CD1 4.02Å; F1293-L1380 HydrophobicContact CE1-CD1 3.07Å; F1293-L1380 HydrophobicContact CE1-CG 4.5Å; F1293-L1380 HydrophobicContact CE2-CD1 3.7Å; F1293-L1380 HydrophobicContact CG-CD1 3.9Å; F1293-L1380 HydrophobicContact CZ-CB 4.39Å; F1293-L1380 HydrophobicContact CZ-CD1 3.16Å; F1293-L1380 HydrophobicContact CZ-CG 4.37Å; L1303-L1380 HydrophobicContact CD2-CD2 4.01Å; F1376-L1380 HydrophobicContact CD1-CD1 4.01Å; F1376-L1380 HydrophobicContact CD1-CG 4.48Å; F1376-L1380 HydrophobicContact CD2-CG 4.46Å; F1376-L1380 HydrophobicContact CE1-CD1 3.52Å; F1376-L1380 VanDerWaalsContact CE1-CD1 3.48Å; F1376-L1380 HydrophobicContact CE1-CG 4.13Å; F1376-L1380 HydrophobicContact CE2-CD1 4.17Å; F1376-L1380 HydrophobicContact CE2-CD2 4.32Å; F1376-L1380 HydrophobicContact CE2-CG 4.05Å; F1376-L1380 HydrophobicContact CZ-CD1 3.57Å; F1376-L1380 VanDerWaalsContact CZ-CD1 3.41Å; F1376-L1380 HydrophobicContact CZ-CD2 4.21Å; F1376-L1380 HydrophobicContact CZ-CG 3.88Å; F1376-L1380 WeakPolarHBondContact O-CB 3.22Å; F1376-L1380 PolarHBondContact O-N 3.04Å; H1377-L1380 PolarHBondContact O-N 3.1Å; I1378-L1380 VanDerWaalsContact C-N 3.33Å; I1378-L1380 PolarHBondContact O-N 3.21Å; L1380-R1382 VanDerWaalsContact C-N 3.33Å; L1380-R1382 PolarHBondContact O-N 2.92Å; L1380-L1383 CarbonylContact O-C 3.5Å; L1380-L1383 PolarHBondContact O-N 3.04Å; L1380-H1384 PolarHBondContact O-N 3.11Å; L1380-H1384 VanDerWaalsContact O-N 3.08Å; L1380-M1387 HydrophobicContact CD2-CE 3.75Å; L1380-I1389 HydrophobicContact CD2-CD1 3.32Å; L1380-I1389 HydrophobicContact CD2-CG1 4.05Å; L1380-L1436 HydrophobicContact CD1-CD1 4Å; L1380-L1436 HydrophobicContact CD1-CD2 3.98Å; L1380-L1436 HydrophobicContact CD2-CD1 4.16Å; L1380-L1436 HydrophobicContact CD2-CD2 4.27Å; L1380-L1436 HydrophobicContact CG-CD2 4.31Å |
| 1381 | S | 61.2 | Low | 58.9 | Low | 47.4 Ų | 47.4 | 40 Ų | 40 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -35.5 | 175.7 | 145.3 | 0 | 0 | 0 | 0 | 111.9 | L1246 H1377 I1378 L1383 H1384 P1385 | L1246-S1381 VanDerWaalsContact CD2-O 3.31Å; L1246-S1381 WeakPolarHBondContact CD2-O 3.4Å; H1377-S1381 VanDerWaalsContact O-CB 3.3Å; H1377-S1381 WeakPolarHBondContact O-CB 3.29Å; H1377-S1381 PolarHBondContact O-N 3.11Å; H1377-S1381 PolarHBondContact O-OG 3.07Å; I1378-S1381 WeakPolarHBondContact CA-OG 3.38Å; I1378-S1381 WeakPolarHBondContact O-CB 2.73Å; I1378-S1381 PolarHBondContact O-N 2.94Å; I1378-S1381 PolarHBondContact O-OG 2.99Å; I1378-S1381 VanDerWaalsContact O-OG 3.07Å; S1381-L1383 PolarHBondContact O-N 3Å; S1381-H1384 WeakPolarHBondContact O-CB 3.33Å; S1381-H1384 PolarHBondContact O-N 3.13Å; S1381-P1385 WeakPolarHBondContact O-CD 3.41Å |
| 1382 | R | 61.3 | Low | 57.9 | Low | 84.8 Ų | 84.8 | 45.2 Ų | 45.2 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -75.6 | -30.1 | 175.6 | -71 | -78.6 | -159.4 | -159.5 | 5.8 | 113.4 | L1246 L1275 E1278 Y1279 I1378 L1379 L1380 H1384 P1385 | L1246-R1382 PolarHBondContact O-NH1 3.36Å; L1275-R1382 HydrophobicContact CD2-CB 3.58Å; L1275-R1382 HydrophobicContact CD2-CG 4.2Å; L1275-R1382 HydrophobicContact CG-CB 4.38Å; E1278-R1382 IonicContact OE1-CZ 3.27Å; E1278-R1382 IonicContact OE1-NE 3.32Å; E1278-R1382 IonicContact OE1-NH2 3.4Å; E1278-R1382 PolarHBondContact OE1-NH2 3.21Å; E1278-R1382 IonicContact OE2-CZ 3.18Å; E1278-R1382 IonicContact OE2-NE 3.19Å; E1278-R1382 PolarHBondContact OE2-NE 3.01Å; E1278-R1382 IonicContact OE2-NH2 3.4Å; Y1279-R1382 HydrophobicContact CE2-CB 4.21Å; Y1279-R1382 HydrophobicContact CE2-CG 4.28Å; I1378-R1382 HydrophobicContact CG2-CG 4.22Å; I1378-R1382 WeakPolarHBondContact O-CB 3.37Å; I1378-R1382 VanDerWaalsContact O-CG 3.26Å; I1378-R1382 WeakPolarHBondContact O-CG 3.29Å; I1378-R1382 PolarHBondContact O-N 3.03Å; L1379-R1382 PolarHBondContact O-N 3.24Å; L1380-R1382 VanDerWaalsContact C-N 3.33Å; L1380-R1382 PolarHBondContact O-N 2.92Å; R1382-H1384 VanDerWaalsContact C-N 3.31Å; R1382-H1384 PolarHBondContact O-N 3.34Å; R1382-P1385 VanDerWaalsContact O-CD 3.28Å; R1382-P1385 WeakPolarHBondContact O-CD 3.43Å |
| 1383 | L | 67 | Low | 56.8 | Low | 9.6 Ų | 9.6 | 45.2 Ų | 45.2 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.3 | -13.6 | 172.2 | -73.9 | 170.2 | 0 | 0 | 0 | 113.3 | L1275 I1284 T1287 L1288 L1379 L1380 S1381 P1385 L1386 M1387 | L1275-L1383 HydrophobicContact CD1-CD2 3.59Å; L1275-L1383 VanDerWaalsContact CD1-CD2 3.44Å; L1275-L1383 HydrophobicContact CD1-CG 4.03Å; I1284-L1383 HydrophobicContact CG2-CD2 4.33Å; T1287-L1383 HydrophobicContact CG2-CD1 3.52Å; T1287-L1383 VanDerWaalsContact CG2-CD1 3.49Å; T1287-L1383 WeakPolarHBondContact OG1-CD1 3.3Å; L1288-L1383 HydrophobicContact CD2-CD2 4.28Å; L1379-L1383 HydrophobicContact CD1-CD1 4.08Å; L1379-L1383 HydrophobicContact CD1-CG 4.36Å; L1379-L1383 HydrophobicContact CD2-CD1 3.74Å; L1379-L1383 HydrophobicContact CG-CD1 4.08Å; L1379-L1383 VanDerWaalsContact O-CB 3.31Å; L1379-L1383 WeakPolarHBondContact O-CB 3.34Å; L1379-L1383 WeakPolarHBondContact O-CG 3.38Å; L1379-L1383 PolarHBondContact O-N 3.31Å; L1380-L1383 CarbonylContact O-C 3.5Å; L1380-L1383 PolarHBondContact O-N 3.04Å; S1381-L1383 PolarHBondContact O-N 3Å; L1383-P1385 VanDerWaalsContact C-N 3.29Å; L1383-P1385 WeakPolarHBondContact O-CD 3.35Å; L1383-P1385 VanDerWaalsContact O-N 3.1Å; L1383-L1386 HydrophobicContact CD2-CD1 4.15Å; L1383-L1386 CarbonylContact O-C 3.19Å; L1383-L1386 WeakPolarHBondContact O-CA 3.35Å; L1383-L1386 WeakPolarHBondContact O-CB 3.23Å; L1383-L1386 PolarHBondContact O-N 3.17Å; L1383-M1387 HydrophobicContact CB-CE 3.5Å; L1383-M1387 VanDerWaalsContact CB-CE 3.5Å; L1383-M1387 HydrophobicContact CB-CG 4.42Å; L1383-M1387 HydrophobicContact CB-SD 4.1Å; L1383-M1387 VanDerWaalsContact O-CG 3.3Å; L1383-M1387 WeakPolarHBondContact O-CG 3.35Å; L1383-M1387 PolarHBondContact O-N 3.09Å; L1383-M1387 VanDerWaalsContact O-N 3.14Å |
| 1384 | H | 62.9 | Low | 55.6 | Low | 54.6 Ų | 54.6 | 45.8 Ų | 45.8 | 25% | 0.253 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -37 | -179.1 | -170.8 | -108.9 | 0 | 0 | 0 | 114.5 | K1242 L1380 S1381 R1382 L1386 M1387 I1388 I1389 | K1242-H1384 PolarHBondContact NZ-CE1 3.12Å; L1380-H1384 PolarHBondContact O-N 3.11Å; L1380-H1384 VanDerWaalsContact O-N 3.08Å; S1381-H1384 WeakPolarHBondContact O-CB 3.33Å; S1381-H1384 PolarHBondContact O-N 3.13Å; R1382-H1384 VanDerWaalsContact C-N 3.31Å; R1382-H1384 PolarHBondContact O-N 3.34Å; H1384-L1386 VanDerWaalsContact C-N 3.26Å; H1384-L1386 PolarHBondContact O-N 3.04Å; H1384-M1387 CarbonylContact O-C 3.58Å; H1384-M1387 WeakPolarHBondContact O-CA 3.49Å; H1384-M1387 PolarHBondContact O-N 3Å; H1384-M1387 VanDerWaalsContact O-N 3.14Å; H1384-I1388 HydrophobicContact CB-CD1 3.86Å; H1384-I1388 HydrophobicContact CB-CG1 4.3Å; H1384-I1388 VanDerWaalsContact CD2-CG1 3.43Å; H1384-I1388 WeakPolarHBondContact CD2-CG1 2.8Å; H1384-I1388 VanDerWaalsContact CE1-CD1 3.48Å; H1384-I1388 WeakPolarHBondContact CE1-CD1 3.4Å; H1384-I1388 WeakPolarHBondContact ND1-CD1 3.21Å; H1384-I1388 WeakPolarHBondContact NE2-CG1 3.46Å; H1384-I1388 WeakPolarHBondContact O-CB 3.4Å; H1384-I1388 VanDerWaalsContact O-CD1 3.23Å; H1384-I1388 WeakPolarHBondContact O-CD1 3.25Å; H1384-I1388 WeakPolarHBondContact O-CG1 3.44Å; H1384-I1388 PolarHBondContact O-N 3.32Å; H1384-I1388 VanDerWaalsContact O-N 3.07Å; H1384-I1389 VanDerWaalsContact CD2-CD1 3.49Å; H1384-I1389 WeakPolarHBondContact CD2-CD1 3.33Å |
| 1385 | P | 60.5 | Low | 54.4 | Low | 13.4 Ų | 13.4 | 46.8 Ų | 46.8 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.7 | 173.7 | -23.1 | 34.9 | 0 | 0 | 0 | 114.4 | M1239 K1242 Y1243 L1246 I1271 S1381 R1382 L1383 I1388 I1389 L1439 | M1239-P1385 VanDerWaalsContact CE-O 3.31Å; M1239-P1385 WeakPolarHBondContact CE-O 3.14Å; K1242-P1385 HydrophobicContact CB-CB 4.21Å; Y1243-P1385 HydrophobicContact CD2-CB 4.37Å; Y1243-P1385 HydrophobicContact CD2-CG 4.29Å; L1246-P1385 HydrophobicContact CD1-CG 3.47Å; L1246-P1385 VanDerWaalsContact CD1-CG 3.46Å; L1246-P1385 HydrophobicContact CD2-CG 4.46Å; L1246-P1385 HydrophobicContact CG-CG 4.05Å; I1271-P1385 HydrophobicContact CD1-CB 4.04Å; S1381-P1385 WeakPolarHBondContact O-CD 3.41Å; R1382-P1385 VanDerWaalsContact O-CD 3.28Å; R1382-P1385 WeakPolarHBondContact O-CD 3.43Å; L1383-P1385 VanDerWaalsContact C-N 3.29Å; L1383-P1385 WeakPolarHBondContact O-CD 3.35Å; L1383-P1385 VanDerWaalsContact O-N 3.1Å; P1385-I1388 PolarHBondContact O-N 3.12Å; P1385-I1389 VanDerWaalsContact O-CB 3.3Å; P1385-I1389 WeakPolarHBondContact O-CB 3.49Å; P1385-I1389 WeakPolarHBondContact O-CD1 3.48Å; P1385-I1389 WeakPolarHBondContact O-CG1 3.29Å; P1385-I1389 PolarHBondContact O-N 3.5Å; P1385-L1439 WeakPolarHBondContact O-CD1 3.41Å |
| 1386 | L | 61.2 | Low | 53 | Low | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -24.2 | 176.9 | -59.7 | 175.2 | 0 | 0 | 0 | 112.2 | M1239 I1268 I1271 I1272 L1275 L1288 I1313 L1383 H1384 I1388 I1389 F1390 L1439 I1443 | M1239-L1386 HydrophobicContact CE-CD2 3.93Å; M1239-L1386 HydrophobicContact SD-CD2 4.1Å; I1268-L1386 HydrophobicContact CG1-CD2 4.04Å; I1268-L1386 HydrophobicContact CG2-CD2 4.35Å; I1271-L1386 HydrophobicContact CB-CD2 4.15Å; I1271-L1386 HydrophobicContact CB-CG 4.47Å; I1271-L1386 HydrophobicContact CD1-CD2 4Å; I1271-L1386 HydrophobicContact CD1-CG 4.36Å; I1271-L1386 HydrophobicContact CG2-CD1 4.06Å; I1271-L1386 HydrophobicContact CG2-CD2 4.19Å; I1271-L1386 HydrophobicContact CG2-CG 4.14Å; I1272-L1386 HydrophobicContact CD1-CD1 4.32Å; I1272-L1386 HydrophobicContact CG1-CD1 4.27Å; L1275-L1386 HydrophobicContact CD1-CD1 3.88Å; L1288-L1386 HydrophobicContact CD2-CD1 4.26Å; I1313-L1386 HydrophobicContact CB-CD1 4.42Å; I1313-L1386 HydrophobicContact CB-CD2 4.13Å; I1313-L1386 HydrophobicContact CD1-CB 4Å; I1313-L1386 HydrophobicContact CD1-CD1 4.12Å; I1313-L1386 HydrophobicContact CD1-CD2 3.59Å; I1313-L1386 HydrophobicContact CD1-CG 4.05Å; I1313-L1386 HydrophobicContact CG1-CD2 3.82Å; I1313-L1386 HydrophobicContact CG2-CD1 3.48Å; I1313-L1386 VanDerWaalsContact CG2-CD1 3.48Å; I1313-L1386 HydrophobicContact CG2-CD2 3.24Å; I1313-L1386 HydrophobicContact CG2-CG 3.9Å; L1383-L1386 HydrophobicContact CD2-CD1 4.15Å; L1383-L1386 CarbonylContact O-C 3.19Å; L1383-L1386 WeakPolarHBondContact O-CA 3.35Å; L1383-L1386 WeakPolarHBondContact O-CB 3.23Å; L1383-L1386 PolarHBondContact O-N 3.17Å; H1384-L1386 VanDerWaalsContact C-N 3.26Å; H1384-L1386 PolarHBondContact O-N 3.04Å; L1386-I1388 VanDerWaalsContact C-N 3.35Å; L1386-I1389 HydrophobicContact CD2-CD1 4.46Å; L1386-I1389 CarbonylContact O-C 3.56Å; L1386-I1389 PolarHBondContact O-N 2.85Å; L1386-F1390 VanDerWaalsContact O-CB 3.23Å; L1386-F1390 WeakPolarHBondContact O-CB 3.45Å; L1386-F1390 WeakPolarHBondContact O-CD2 2.95Å; L1386-F1390 PolarHBondContact O-N 3.36Å; L1386-L1439 PolarHBondContact O-N 3.05Å; L1386-I1443 HydrophobicContact CD2-CG2 4.24Å |
| 1387 | M | 61.8 | Low | 51.3 | Low | 12.8 Ų | 12.8 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 156.9 | -174.1 | -61.1 | -98.6 | -49.1 | 0 | 0 | 112.8 | L1291 L1380 L1383 H1384 I1389 F1390 N1391 I1426 L1436 S1437 F1438 | L1291-M1387 HydrophobicContact CD1-CE 3.7Å; L1291-M1387 HydrophobicContact CD1-CG 4.34Å; L1291-M1387 HydrophobicContact CD1-SD 3.6Å; L1291-M1387 WeakPolarHBondContact CD1-SD 3.47Å; L1291-M1387 HydrophobicContact CD2-CE 3.65Å; L1291-M1387 VanDerWaalsContact CD2-CE 3.46Å; L1291-M1387 HydrophobicContact CD2-SD 4.4Å; L1291-M1387 HydrophobicContact CG-CE 4.04Å; L1380-M1387 HydrophobicContact CD2-CE 3.75Å; L1383-M1387 HydrophobicContact CB-CE 3.5Å; L1383-M1387 VanDerWaalsContact CB-CE 3.5Å; L1383-M1387 HydrophobicContact CB-CG 4.42Å; L1383-M1387 HydrophobicContact CB-SD 4.1Å; L1383-M1387 VanDerWaalsContact O-CG 3.3Å; L1383-M1387 WeakPolarHBondContact O-CG 3.35Å; L1383-M1387 PolarHBondContact O-N 3.09Å; L1383-M1387 VanDerWaalsContact O-N 3.14Å; H1384-M1387 CarbonylContact O-C 3.58Å; H1384-M1387 WeakPolarHBondContact O-CA 3.49Å; H1384-M1387 PolarHBondContact O-N 3Å; H1384-M1387 VanDerWaalsContact O-N 3.14Å; M1387-I1389 PolarHBondContact O-N 3.3Å; M1387-F1390 PolarHBondContact O-N 3.05Å; M1387-N1391 PolarHBondContact O-N 2.86Å; M1387-I1426 HydrophobicContact CE-CB 4.25Å; M1387-I1426 HydrophobicContact CE-CD1 4.41Å; M1387-I1426 HydrophobicContact CE-CG1 4.15Å; M1387-I1426 HydrophobicContact CE-CG2 3.23Å; M1387-L1436 HydrophobicContact CE-CB 3.67Å; M1387-L1436 HydrophobicContact CE-CD2 3.96Å; M1387-L1436 HydrophobicContact CE-CG 4.29Å; M1387-S1437 CarbonylContact C-O 3.59Å; M1387-S1437 VanDerWaalsContact CA-O 3.3Å; M1387-S1437 WeakPolarHBondContact CA-O 3.42Å; M1387-S1437 VanDerWaalsContact CE-N 3.32Å; M1387-S1437 WeakPolarHBondContact CE-O 2.93Å; M1387-F1438 HydrophobicContact SD-CB 4.37Å; M1387-F1438 HydrophobicContact SD-CD1 3.41Å; M1387-F1438 WeakPolarHBondContact SD-CD1 3.29Å; M1387-F1438 HydrophobicContact SD-CD2 4.31Å; M1387-F1438 HydrophobicContact SD-CE1 4.06Å; M1387-F1438 HydrophobicContact SD-CE2 4.48Å; M1387-F1438 HydrophobicContact SD-CG 3.78Å; M1387-F1438 HydrophobicContact SD-CZ 4.17Å |
| 1388 | I | 55.4 | Low | 49.8 | Very low | 30.2 Ų | 30.2 | 57.8 Ų | 57.8 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.7 | 169.9 | -65.1 | 166.8 | 0 | 0 | 0 | 109.4 | P1053 Y1238 K1242 H1384 P1385 L1386 F1390 K1392 S1437 L1439 | P1053-I1388 HydrophobicContact CB-CB 3.91Å; P1053-I1388 HydrophobicContact CB-CD1 3.77Å; P1053-I1388 HydrophobicContact CB-CG1 4.37Å; P1053-I1388 HydrophobicContact CB-CG2 4.25Å; P1053-I1388 HydrophobicContact CG-CD1 4.44Å; P1053-I1388 WeakPolarHBondContact O-CB 3.19Å; P1053-I1388 WeakPolarHBondContact O-CD1 3.48Å; P1053-I1388 WeakPolarHBondContact O-CG2 3.41Å; Y1238-I1388 HydrophobicContact CD1-CG2 3.98Å; Y1238-I1388 HydrophobicContact CE1-CG2 3.25Å; Y1238-I1388 WeakPolarHBondContact CE1-O 3.23Å; K1242-I1388 HydrophobicContact CB-CB 4.48Å; K1242-I1388 HydrophobicContact CB-CD1 3.75Å; K1242-I1388 HydrophobicContact CB-CG2 3.93Å; K1242-I1388 HydrophobicContact CD-CD1 3.98Å; K1242-I1388 HydrophobicContact CD-CG2 3.87Å; K1242-I1388 HydrophobicContact CG-CD1 4.17Å; K1242-I1388 HydrophobicContact CG-CG2 3.51Å; H1384-I1388 HydrophobicContact CB-CD1 3.86Å; H1384-I1388 HydrophobicContact CB-CG1 4.3Å; H1384-I1388 VanDerWaalsContact CD2-CG1 3.43Å; H1384-I1388 WeakPolarHBondContact CD2-CG1 2.8Å; H1384-I1388 VanDerWaalsContact CE1-CD1 3.48Å; H1384-I1388 WeakPolarHBondContact CE1-CD1 3.4Å; H1384-I1388 WeakPolarHBondContact ND1-CD1 3.21Å; H1384-I1388 WeakPolarHBondContact NE2-CG1 3.46Å; H1384-I1388 WeakPolarHBondContact O-CB 3.4Å; H1384-I1388 VanDerWaalsContact O-CD1 3.23Å; H1384-I1388 WeakPolarHBondContact O-CD1 3.25Å; H1384-I1388 WeakPolarHBondContact O-CG1 3.44Å; H1384-I1388 PolarHBondContact O-N 3.32Å; H1384-I1388 VanDerWaalsContact O-N 3.07Å; P1385-I1388 PolarHBondContact O-N 3.12Å; L1386-I1388 VanDerWaalsContact C-N 3.35Å; I1388-F1390 HydrophobicContact CB-CE1 4.1Å; I1388-F1390 HydrophobicContact CB-CZ 3.65Å; I1388-F1390 HydrophobicContact CG2-CD1 4.13Å; I1388-F1390 HydrophobicContact CG2-CE1 3.66Å; I1388-F1390 HydrophobicContact CG2-CE2 4.41Å; I1388-F1390 HydrophobicContact CG2-CZ 3.34Å; I1388-K1392 PolarHBondContact O-N 3.09Å; I1388-K1392 VanDerWaalsContact O-N 3.15Å; I1388-S1437 PolarHBondContact N-O 3.27Å; I1388-S1437 PolarHBondContact O-N 3.08Å; I1388-L1439 HydrophobicContact CD1-CB 4.25Å; I1388-L1439 HydrophobicContact CD1-CD2 3.55Å; I1388-L1439 HydrophobicContact CD1-CG 4.24Å; I1388-L1439 HydrophobicContact CG1-CB 4.04Å; I1388-L1439 HydrophobicContact CG1-CD1 4.24Å; I1388-L1439 HydrophobicContact CG1-CD2 3.47Å; I1388-L1439 VanDerWaalsContact CG1-CD2 3.47Å; I1388-L1439 HydrophobicContact CG1-CG 4.08Å |
| 1389 | I | 50.8 | Low | 48.3 | Very low | 52.6 Ų | 52.6 | 62.3 Ų | 62.3 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 79.8 | 168.1 | -52.6 | 177.2 | 0 | 0 | 0 | 108.7 | L1380 H1384 P1385 L1386 M1387 N1391 K1392 S1393 A1433 E1434 L1436 L1439 I1443 | L1380-I1389 HydrophobicContact CD2-CD1 3.32Å; L1380-I1389 HydrophobicContact CD2-CG1 4.05Å; H1384-I1389 VanDerWaalsContact CD2-CD1 3.49Å; H1384-I1389 WeakPolarHBondContact CD2-CD1 3.33Å; P1385-I1389 VanDerWaalsContact O-CB 3.3Å; P1385-I1389 WeakPolarHBondContact O-CB 3.49Å; P1385-I1389 WeakPolarHBondContact O-CD1 3.48Å; P1385-I1389 WeakPolarHBondContact O-CG1 3.29Å; P1385-I1389 PolarHBondContact O-N 3.5Å; L1386-I1389 HydrophobicContact CD2-CD1 4.46Å; L1386-I1389 CarbonylContact O-C 3.56Å; L1386-I1389 PolarHBondContact O-N 2.85Å; M1387-I1389 PolarHBondContact O-N 3.3Å; I1389-N1391 PolarHBondContact O-N 2.92Å; I1389-K1392 CarbonylContact O-C 3.58Å; I1389-K1392 PolarHBondContact O-N 2.99Å; I1389-K1392 VanDerWaalsContact O-N 3.16Å; I1389-S1393 VanDerWaalsContact O-CB 3.28Å; I1389-S1393 WeakPolarHBondContact O-CB 3.45Å; I1389-S1393 PolarHBondContact O-N 3.38Å; I1389-S1393 PolarHBondContact O-OG 3.3Å; I1389-S1393 VanDerWaalsContact O-OG 3.08Å; I1389-A1433 HydrophobicContact CG2-CB 3.44Å; I1389-A1433 VanDerWaalsContact CG2-CB 3.44Å; I1389-E1434 HydrophobicContact CG2-CB 3.59Å; I1389-E1434 HydrophobicContact CG2-CG 3.27Å; I1389-E1434 WeakPolarHBondContact CG2-OE1 3.46Å; I1389-E1434 VanDerWaalsContact CG2-OE2 3.25Å; I1389-E1434 WeakPolarHBondContact CG2-OE2 3.49Å; I1389-L1436 HydrophobicContact CD1-CD2 4.35Å; I1389-L1436 HydrophobicContact CG1-CD2 3.92Å; I1389-L1439 HydrophobicContact CB-CB 3.63Å; I1389-L1439 HydrophobicContact CB-CD1 4.12Å; I1389-L1439 HydrophobicContact CD1-CB 3.94Å; I1389-L1439 HydrophobicContact CG1-CB 4.33Å; I1389-L1439 HydrophobicContact CG2-CB 3.7Å; I1389-L1439 HydrophobicContact CG2-CD1 3.82Å; I1389-L1439 HydrophobicContact CG2-CG 4.33Å; I1389-L1439 WeakPolarHBondContact O-CD1 3.4Å; I1389-I1443 HydrophobicContact CD1-CD1 3.94Å; I1389-I1443 HydrophobicContact CD1-CG1 4.49Å |
| 1390 | F | 47 | Very low | 46.8 | Very low | 27.8 Ų | 27.8 | 66.8 Ų | 66.8 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.6 | -179.6 | -93.8 | -72.7 | 0 | 0 | 0 | 113.9 | P1053 S1054 T1055 G1056 E1309 I1313 L1386 M1387 I1388 K1392 S1393 L1394 G1432 A1433 E1434 N1435 S1437 L1439 | P1053-F1390 VanDerWaalsContact C-CE1 3.44Å; P1053-F1390 VanDerWaalsContact C-CZ 3.42Å; P1053-F1390 HydrophobicContact CB-CD1 4.14Å; P1053-F1390 HydrophobicContact CB-CE1 3.57Å; P1053-F1390 HydrophobicContact CB-CE2 4.39Å; P1053-F1390 HydrophobicContact CB-CZ 4.05Å; P1053-F1390 VanDerWaalsContact CD-CE1 3.49Å; P1053-F1390 HydrophobicContact CG-CE1 3.63Å; P1053-F1390 HydrophobicContact CG-CE2 4.03Å; P1053-F1390 HydrophobicContact CG-CZ 3.26Å; P1053-F1390 WeakPolarHBondContact O-CE1 3.4Å; P1053-F1390 WeakPolarHBondContact O-CZ 3.21Å; S1054-F1390 WeakPolarHBondContact O-CD2 3.34Å; S1054-F1390 WeakPolarHBondContact O-CE2 3.37Å; T1055-F1390 WeakPolarHBondContact O-CZ 3.1Å; G1056-F1390 VanDerWaalsContact CA-CE1 3.44Å; E1309-F1390 HydrophobicContact CB-CE1 3.83Å; E1309-F1390 HydrophobicContact CB-CE2 3.78Å; E1309-F1390 HydrophobicContact CB-CZ 3.18Å; E1309-F1390 HydrophobicContact CG-CE1 3.38Å; E1309-F1390 HydrophobicContact CG-CE2 4.31Å; E1309-F1390 HydrophobicContact CG-CZ 3.3Å; E1309-F1390 WeakPolarHBondContact OE1-CE1 3.46Å; E1309-F1390 WeakPolarHBondContact OE2-CE1 3.25Å; E1309-F1390 WeakPolarHBondContact OE2-CZ 3.32Å; I1313-F1390 HydrophobicContact CD1-CD2 4.27Å; I1313-F1390 HydrophobicContact CD1-CE2 3.36Å; I1313-F1390 HydrophobicContact CD1-CZ 3.97Å; L1386-F1390 VanDerWaalsContact O-CB 3.23Å; L1386-F1390 WeakPolarHBondContact O-CB 3.45Å; L1386-F1390 WeakPolarHBondContact O-CD2 2.95Å; L1386-F1390 PolarHBondContact O-N 3.36Å; M1387-F1390 PolarHBondContact O-N 3.05Å; I1388-F1390 HydrophobicContact CB-CE1 4.1Å; I1388-F1390 HydrophobicContact CB-CZ 3.65Å; I1388-F1390 HydrophobicContact CG2-CD1 4.13Å; I1388-F1390 HydrophobicContact CG2-CE1 3.66Å; I1388-F1390 HydrophobicContact CG2-CE2 4.41Å; I1388-F1390 HydrophobicContact CG2-CZ 3.34Å; F1390-K1392 HydrophobicContact CD1-CB 4.17Å; F1390-K1392 HydrophobicContact CE1-CB 3.63Å; F1390-K1392 HydrophobicContact CE1-CD 4.07Å; F1390-K1392 HydrophobicContact CE1-CG 3.62Å; F1390-K1392 HydrophobicContact CZ-CB 4.33Å; F1390-K1392 HydrophobicContact CZ-CG 4.18Å; F1390-K1392 PolarHBondContact O-N 3.19Å; F1390-S1393 PolarHBondContact O-N 3.3Å; F1390-S1393 PolarHBondContact O-OG 3.24Å; F1390-L1394 HydrophobicContact CD1-CD1 3.49Å; F1390-L1394 VanDerWaalsContact CD1-CD1 3.49Å; F1390-L1394 HydrophobicContact CE1-CD1 4.15Å; F1390-L1394 WeakPolarHBondContact O-CB 3.34Å; F1390-L1394 VanDerWaalsContact O-CD1 3.32Å; F1390-L1394 WeakPolarHBondContact O-CD1 3.41Å; F1390-L1394 PolarHBondContact O-N 3.42Å; F1390-G1432 CarbonylContact C-O 3.3Å; F1390-G1432 VanDerWaalsContact O-O 3.11Å; F1390-A1433 CarbonylContact C-O 3.58Å; F1390-A1433 CarbonylContact O-C 3.58Å; F1390-A1433 VanDerWaalsContact O-C 3.23Å; F1390-E1434 WeakPolarHBondContact O-CA 3.3Å; F1390-E1434 PolarHBondContact O-N 3.13Å; F1390-E1434 VanDerWaalsContact O-N 3.13Å; F1390-N1435 HydrophobicContact CB-CB 4.31Å; F1390-N1435 HydrophobicContact CD2-CB 3.98Å; F1390-N1435 WeakPolarHBondContact CD2-O 3.3Å; F1390-N1435 PolarHBondContact N-O 3.05Å; F1390-S1437 VanDerWaalsContact CD2-O 3.27Å; F1390-S1437 WeakPolarHBondContact CD2-O 3.37Å; F1390-S1437 VanDerWaalsContact CE2-OG 3.23Å; F1390-S1437 WeakPolarHBondContact CE2-OG 3.25Å; F1390-L1439 HydrophobicContact CD1-CD1 3.76Å; F1390-L1439 HydrophobicContact CD2-CB 4.11Å; F1390-L1439 HydrophobicContact CD2-CD1 3.94Å; F1390-L1439 HydrophobicContact CD2-CG 4.17Å; F1390-L1439 HydrophobicContact CE1-CD1 3.34Å; F1390-L1439 HydrophobicContact CE1-CG 3.89Å; F1390-L1439 HydrophobicContact CE2-CB 3.57Å; F1390-L1439 HydrophobicContact CE2-CD1 3.57Å; F1390-L1439 HydrophobicContact CE2-CG 3.4Å; F1390-L1439 VanDerWaalsContact CE2-CG 3.4Å; F1390-L1439 HydrophobicContact CG-CD1 4.03Å; F1390-L1439 HydrophobicContact CZ-CB 3.99Å; F1390-L1439 HydrophobicContact CZ-CD1 3.26Å; F1390-L1439 HydrophobicContact CZ-CD2 4.38Å; F1390-L1439 HydrophobicContact CZ-CG 3.24Å |
| 1391 | N | 44.1 | Very low | 45.1 | Very low | 53 Ų | 53 | 74.3 Ų | 74.3 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | trans | -106.2 | 94.7 | 162 | -93.3 | -57.8 | 0 | 0 | 0 | 111.3 | M1387 I1389 S1393 H1395 N1430 L1431 G1432 A1433 | M1387-N1391 PolarHBondContact O-N 2.86Å; I1389-N1391 PolarHBondContact O-N 2.92Å; N1391-S1393 VanDerWaalsContact C-N 3.29Å; N1391-S1393 PolarHBondContact O-N 3.31Å; N1391-S1393 VanDerWaalsContact O-N 3.13Å; N1391-S1393 WeakPolarHBondContact OD1-CB 3.42Å; N1391-S1393 PolarHBondContact OD1-OG 3.43Å; N1391-H1395 WeakPolarHBondContact O-CB 3.09Å; N1391-H1395 PolarHBondContact O-CD2 2.81Å; N1391-N1430 VanDerWaalsContact CG-O 3.27Å; N1391-N1430 PolarHBondContact ND2-O 2.91Å; N1391-L1431 WeakPolarHBondContact ND2-CA 3.11Å; N1391-G1432 WeakPolarHBondContact CA-O 3.27Å; N1391-G1432 PolarHBondContact ND2-O 2.84Å; N1391-G1432 WeakPolarHBondContact OD1-CA 3.29Å; N1391-G1432 PolarHBondContact OD1-N 3.38Å; N1391-G1432 PolarHBondContact OD1-O 2.79Å; N1391-A1433 WeakPolarHBondContact ND2-CB 3.27Å; N1391-A1433 PolarHBondContact OD1-N 3.41Å | ||
| 1392 | K | 38.3 | Very low | 43.7 | Very low | 129 Ų | 129 | 79.3 Ų | 79.3 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -79.9 | -15.4 | 175.3 | -114.5 | 179.7 | -179.8 | -179.6 | 0 | 113.6 | T661 D926 I1388 I1389 F1390 L1394 H1395 C1396 A1433 E1434 | T661-K1392 PolarHBondContact O-NZ 3.24Å; D926-K1392 IonicContact OD1-NZ 3.79Å; D926-K1392 PolarHBondContact OD1-NZ 3.49Å; D926-K1392 IonicContact OD2-NZ 2.99Å; D926-K1392 PolarHBondContact OD2-NZ 3.39Å; I1388-K1392 PolarHBondContact O-N 3.09Å; I1388-K1392 VanDerWaalsContact O-N 3.15Å; I1389-K1392 CarbonylContact O-C 3.58Å; I1389-K1392 PolarHBondContact O-N 2.99Å; I1389-K1392 VanDerWaalsContact O-N 3.16Å; F1390-K1392 HydrophobicContact CD1-CB 4.17Å; F1390-K1392 HydrophobicContact CE1-CB 3.63Å; F1390-K1392 HydrophobicContact CE1-CD 4.07Å; F1390-K1392 HydrophobicContact CE1-CG 3.62Å; F1390-K1392 HydrophobicContact CZ-CB 4.33Å; F1390-K1392 HydrophobicContact CZ-CG 4.18Å; F1390-K1392 PolarHBondContact O-N 3.19Å; K1392-L1394 PolarHBondContact O-N 3Å; K1392-H1395 PolarHBondContact O-N 2.88Å; K1392-C1396 PolarHBondContact O-N 3.39Å; K1392-C1396 PolarHBondContact O-SG 2.77Å; K1392-C1396 VanDerWaalsContact O-SG 3.32Å; K1392-A1433 HydrophobicContact CB-CB 4.21Å; K1392-E1434 WeakPolarHBondContact CD-OE2 3.38Å; K1392-E1434 IonicContact NZ-OE2 3.72Å; K1392-E1434 PolarHBondContact NZ-OE2 2.94Å |
| 1393 | S | 36.6 | Very low | 42.3 | Very low | 55.2 Ų | 55.2 | 82.3 Ų | 82.3 | 39% | 0.386 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -78.1 | -11.1 | -172.9 | 78 | 0 | 0 | 0 | 0 | 115 | I1389 F1390 N1391 H1395 C1396 F1397 L1428 G1432 | I1389-S1393 VanDerWaalsContact O-CB 3.28Å; I1389-S1393 WeakPolarHBondContact O-CB 3.45Å; I1389-S1393 PolarHBondContact O-N 3.38Å; I1389-S1393 PolarHBondContact O-OG 3.3Å; I1389-S1393 VanDerWaalsContact O-OG 3.08Å; F1390-S1393 PolarHBondContact O-N 3.3Å; F1390-S1393 PolarHBondContact O-OG 3.24Å; N1391-S1393 VanDerWaalsContact C-N 3.29Å; N1391-S1393 PolarHBondContact O-N 3.31Å; N1391-S1393 VanDerWaalsContact O-N 3.13Å; N1391-S1393 WeakPolarHBondContact OD1-CB 3.42Å; N1391-S1393 PolarHBondContact OD1-OG 3.43Å; S1393-H1395 VanDerWaalsContact C-N 3.29Å; S1393-H1395 PolarHBondContact O-N 3.24Å; S1393-H1395 VanDerWaalsContact O-N 3.13Å; S1393-C1396 PolarHBondContact O-N 2.74Å; S1393-C1396 VanDerWaalsContact O-N 3.17Å; S1393-F1397 WeakPolarHBondContact O-CB 3.3Å; S1393-F1397 PolarHBondContact O-N 3.24Å; S1393-L1428 PolarHBondContact OG-O 2.87Å; S1393-G1432 PolarHBondContact OG-O 3.01Å |
| 1394 | L | 31.3 | Very low | 40.7 | Very low | 77.2 Ų | 77.2 | 88.7 Ų | 88.7 | 40% | 0.404 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -72.8 | -11.4 | -175.4 | -107.9 | 125.8 | 0 | 0 | 0 | 115.1 | F1390 K1392 C1396 N1398 K1419 N1430 | F1390-L1394 HydrophobicContact CD1-CD1 3.49Å; F1390-L1394 VanDerWaalsContact CD1-CD1 3.49Å; F1390-L1394 HydrophobicContact CE1-CD1 4.15Å; F1390-L1394 WeakPolarHBondContact O-CB 3.34Å; F1390-L1394 VanDerWaalsContact O-CD1 3.32Å; F1390-L1394 WeakPolarHBondContact O-CD1 3.41Å; F1390-L1394 PolarHBondContact O-N 3.42Å; K1392-L1394 PolarHBondContact O-N 3Å; L1394-C1396 VanDerWaalsContact C-N 3.33Å; L1394-N1398 PolarHBondContact O-N 3.41Å; L1394-K1419 HydrophobicContact CD2-CD 4.26Å; L1394-N1430 HydrophobicContact CD1-CB 4.24Å |
| 1395 | H | 32.3 | Very low | 39.3 | Very low | 115.4 Ų | 115.4 | 93.4 Ų | 93.4 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -106.4 | -5.2 | -177.1 | -92.8 | -67.1 | 0 | 0 | 0 | 115.9 | E914 T918 N1391 K1392 S1393 F1397 N1398 | E914-H1395 IonicContact OE1-CE1 3.31Å; E914-H1395 IonicContact OE1-NE2 2.86Å; T918-H1395 PolarHBondContact OG1-CE1 3.5Å; T918-H1395 PolarHBondContact OG1-NE2 3.29Å; N1391-H1395 WeakPolarHBondContact O-CB 3.09Å; N1391-H1395 PolarHBondContact O-CD2 2.81Å; K1392-H1395 PolarHBondContact O-N 2.88Å; S1393-H1395 VanDerWaalsContact C-N 3.29Å; S1393-H1395 PolarHBondContact O-N 3.24Å; S1393-H1395 VanDerWaalsContact O-N 3.13Å; H1395-F1397 PolarHBondContact O-N 2.93Å; H1395-N1398 PolarHBondContact O-N 3.2Å |
| 1396 | C | 30 | Very low | 37.9 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 68% | 0.676 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -84.9 | 3.7 | -176.1 | -66.5 | 0 | 0 | 0 | 0 | 115.5 | K1392 S1393 L1394 N1398 N1399 | K1392-C1396 PolarHBondContact O-N 3.39Å; K1392-C1396 PolarHBondContact O-SG 2.77Å; K1392-C1396 VanDerWaalsContact O-SG 3.32Å; S1393-C1396 PolarHBondContact O-N 2.74Å; S1393-C1396 VanDerWaalsContact O-N 3.17Å; L1394-C1396 VanDerWaalsContact C-N 3.33Å; C1396-N1398 PolarHBondContact O-N 3.26Å; C1396-N1399 PolarHBondContact O-N 2.91Å |
| 1397 | F | 27.5 | Very low | 36.6 | Very low | 136 Ų | 136 | 106.1 Ų | 106.1 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | trans | -98.9 | -0.8 | -176.3 | -95.7 | -74.9 | 0 | 0 | 0 | 117.3 | T794 E1319 S1393 H1395 N1399 T1400 F1401 | T794-F1397 HydrophobicContact CG2-CB 4Å; T794-F1397 HydrophobicContact CG2-CD1 3.72Å; T794-F1397 HydrophobicContact CG2-CD2 3.91Å; T794-F1397 HydrophobicContact CG2-CE1 4.15Å; T794-F1397 HydrophobicContact CG2-CE2 4.32Å; T794-F1397 HydrophobicContact CG2-CG 3.59Å; T794-F1397 HydrophobicContact CG2-CZ 4.43Å; E1319-F1397 WeakPolarHBondContact OE1-CZ 3.39Å; S1393-F1397 WeakPolarHBondContact O-CB 3.3Å; S1393-F1397 PolarHBondContact O-N 3.24Å; H1395-F1397 PolarHBondContact O-N 2.93Å; F1397-N1399 VanDerWaalsContact C-N 3.31Å; F1397-N1399 PolarHBondContact O-N 3.18Å; F1397-T1400 PolarHBondContact O-N 3.12Å; F1397-T1400 PolarHBondContact O-OG1 3.01Å; F1397-F1401 HydrophobicContact CD1-CD2 4.18Å; F1397-F1401 AromaticContact CD1-CE2 3.78Å; F1397-F1401 HydrophobicContact CD1-CE2 3.78Å; F1397-F1401 HydrophobicContact CE1-CE2 4.09Å | ||
| 1398 | N | 28.3 | Very low | 35.3 | Very low | 131.6 Ų | 131.6 | 112.2 Ų | 112.2 | 70% | 0.704 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 2.6 | 172.8 | -87.7 | -8 | 0 | 0 | 0 | 114.3 | L1394 H1395 C1396 T1400 | L1394-N1398 PolarHBondContact O-N 3.41Å; H1395-N1398 PolarHBondContact O-N 3.2Å; C1396-N1398 PolarHBondContact O-N 3.26Å; N1398-T1400 PolarHBondContact O-N 3.45Å |
| 1399 | N | 29.2 | Very low | 34.2 | Very low | 138.8 Ų | 138.8 | 117.3 Ų | 117.3 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 28 | -178.4 | -82.6 | -7.7 | 0 | 0 | 0 | 114.2 | C1396 F1397 | C1396-N1399 PolarHBondContact O-N 2.91Å; F1397-N1399 VanDerWaalsContact C-N 3.31Å; F1397-N1399 PolarHBondContact O-N 3.18Å |
| 1400 | T | 31.3 | Very low | 33.4 | Very low | 107.8 Ų | 107.8 | 121.2 Ų | 121.2 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -104.6 | 23.2 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | F1397 N1398 | F1397-T1400 PolarHBondContact O-N 3.12Å; F1397-T1400 PolarHBondContact O-OG1 3.01Å; N1398-T1400 PolarHBondContact O-N 3.45Å |
| 1401 | F | 30.2 | Very low | 32.8 | Very low | 176.6 Ų | 176.6 | 126.4 Ų | 126.4 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -112.8 | 16.8 | -178.6 | -94.5 | -76 | 0 | 0 | 0 | 115.7 | F1397 | F1397-F1401 HydrophobicContact CD1-CD2 4.18Å; F1397-F1401 AromaticContact CD1-CE2 3.78Å; F1397-F1401 HydrophobicContact CD1-CE2 3.78Å; F1397-F1401 HydrophobicContact CE1-CE2 4.09Å |
| 1402 | N | 30.9 | Very low | 32.3 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -115.3 | 15.1 | 178.3 | -100.7 | -3.5 | 0 | 0 | 0 | 115.4 | ||
| 1403 | D | 32.2 | Very low | 32.2 | Very low | 146.8 Ų | 146.8 | 130.2 Ų | 130.2 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -123.3 | 119 | 167.9 | -83.3 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 1404 | N | 33.6 | Very low | 32.3 | Very low | 144.8 Ų | 144.8 | 132.1 Ų | 132.1 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 95.4 | 87.8 | 165 | -58.7 | -34.5 | 0 | 0 | 0 | 116.2 | N1406 | N1404-N1406 PolarHBondContact O-N 2.96Š|
| 1405 | N | 32.2 | Very low | 32.5 | Very low | 152.6 Ų | 152.6 | 134.1 Ų | 134.1 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | 152 | 96.6 | 122.7 | -79.6 | -26.4 | 0 | 0 | 0 | 114.5 | N1407 | N1405-N1407 PolarHBondContact O-N 3.15Š| |||
| 1406 | N | 31.7 | Very low | 33 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | -77.3 | 116.7 | 136.4 | -82.2 | -23.4 | 0 | 0 | 0 | 111.7 | N1404 | N1404-N1406 PolarHBondContact O-N 2.96Š| ||
| 1407 | N | 33.5 | Very low | 33.5 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 128.2 | 107.6 | 142.6 | -73.8 | -18.4 | 0 | 0 | 0 | 114.9 | N1405 | N1405-N1407 PolarHBondContact O-N 3.15Š| ||
| 1408 | N | 34.4 | Very low | 34 | Very low | 142.8 Ų | 142.8 | 128.7 Ų | 128.7 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | trans | 121.4 | 114.6 | 130.2 | -74.9 | -17.2 | 0 | 0 | 0 | 116.6 | N1410 | N1408-N1410 PolarHBondContact O-N 3.04Š| ||
| 1409 | N | 32 | Very low | 34.6 | Very low | 135.4 Ų | 135.4 | 128.8 Ų | 128.8 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | 23.5 | 118.3 | 151.1 | -70.2 | -20.1 | 0 | 0 | 0 | 116.8 | N1411 | N1409-N1411 PolarHBondContact O-N 3.12Å; N1409-N1411 VanDerWaalsContact O-N 3.07Å | ||
| 1410 | N | 35.5 | Very low | 35 | Very low | 135.8 Ų | 135.8 | 128.2 Ų | 128.2 | 73% | 0.726 | 68% | 0.68 | S | S | * | * | trans | 113.4 | 67.7 | 132.7 | -72.5 | -14.1 | 0 | 0 | 0 | 117 | N1408 N1412 N1413 | N1408-N1410 PolarHBondContact O-N 3.04Å; N1410-N1412 PolarHBondContact O-N 3.23Å; N1410-N1413 PolarHBondContact O-N 3.41Å | ||
| 1411 | N | 34.7 | Very low | 35.6 | Very low | 137.6 Ų | 137.6 | 126.4 Ų | 126.4 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -92 | 29.6 | 161.1 | -74 | -9.9 | 0 | 0 | 0 | 115.3 | N1409 N1413 V1414 I1415 | N1409-N1411 PolarHBondContact O-N 3.12Å; N1409-N1411 VanDerWaalsContact O-N 3.07Å; N1411-N1413 VanDerWaalsContact C-N 3.26Å; N1411-N1413 PolarHBondContact O-N 3.26Å; N1411-N1413 VanDerWaalsContact O-N 3.14Å; N1411-V1414 PolarHBondContact O-N 3.17Å; N1411-I1415 PolarHBondContact O-N 3.45Å | ||
| 1412 | N | 32 | Very low | 36 | Very low | 131.8 Ų | 131.8 | 121.7 Ų | 121.7 | 71% | 0.705 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -93.1 | -0.1 | 172.7 | -84.3 | -10 | 0 | 0 | 0 | 114.9 | N1410 S1416 | N1410-N1412 PolarHBondContact O-N 3.23Å; N1412-S1416 PolarHBondContact O-N 3.03Å; N1412-S1416 PolarHBondContact O-OG 3.12Å |
| 1413 | N | 36.4 | Very low | 36.4 | Very low | 129.4 Ų | 129.4 | 118.6 Ų | 118.6 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.9 | 2.8 | 178.9 | -72 | -8.3 | 0 | 0 | 0 | 115.8 | N1410 N1411 I1415 S1416 S1417 | N1410-N1413 PolarHBondContact O-N 3.41Å; N1411-N1413 VanDerWaalsContact C-N 3.26Å; N1411-N1413 PolarHBondContact O-N 3.26Å; N1411-N1413 VanDerWaalsContact O-N 3.14Å; N1413-I1415 PolarHBondContact O-N 3.14Å; N1413-S1416 VanDerWaalsContact CA-OG 3.31Å; N1413-S1416 WeakPolarHBondContact CA-OG 3.25Å; N1413-S1416 PolarHBondContact O-N 2.79Å; N1413-S1416 PolarHBondContact O-OG 3.2Å; N1413-S1416 VanDerWaalsContact O-OG 3.11Å; N1413-S1417 WeakPolarHBondContact O-CB 3.27Å; N1413-S1417 PolarHBondContact O-N 3.44Å; N1413-S1417 PolarHBondContact O-OG 3.35Å; N1413-S1417 VanDerWaalsContact O-OG 3.13Å |
| 1414 | V | 38.8 | Very low | 36.7 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.8 | -31.4 | 177 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | N1411 S1416 S1417 E1418 | N1411-V1414 PolarHBondContact O-N 3.17Å; V1414-S1416 VanDerWaalsContact C-N 3.3Å; V1414-S1416 PolarHBondContact O-N 3.07Å; V1414-S1417 WeakPolarHBondContact CA-OG 3.16Å; V1414-S1417 PolarHBondContact O-N 2.94Å; V1414-S1417 VanDerWaalsContact O-N 3.13Å; V1414-S1417 PolarHBondContact O-OG 3.19Å; V1414-E1418 HydrophobicContact CG1-CG 4.49Å; V1414-E1418 WeakPolarHBondContact O-CG 3.12Å; V1414-E1418 PolarHBondContact O-N 3.19Å; V1414-E1418 VanDerWaalsContact O-N 3.1Å |
| 1415 | I | 36.3 | Very low | 36.9 | Very low | 119.4 Ų | 119.4 | 116.7 Ų | 116.7 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.3 | -22.5 | 179.4 | -57.3 | 171.2 | 0 | 0 | 0 | 110.8 | N1411 N1413 S1417 E1418 K1419 | N1411-I1415 PolarHBondContact O-N 3.45Å; N1413-I1415 PolarHBondContact O-N 3.14Å; I1415-S1417 VanDerWaalsContact C-N 3.32Å; I1415-S1417 PolarHBondContact O-N 2.97Å; I1415-E1418 PolarHBondContact O-N 2.92Å; I1415-K1419 HydrophobicContact CG2-CD 4.1Å; I1415-K1419 HydrophobicContact CG2-CG 4.38Å; I1415-K1419 VanDerWaalsContact O-CB 3.29Å; I1415-K1419 WeakPolarHBondContact O-CB 3.39Å; I1415-K1419 VanDerWaalsContact O-CG 3.28Å; I1415-K1419 WeakPolarHBondContact O-CG 3.47Å; I1415-K1419 PolarHBondContact O-N 3.23Å; I1415-K1419 VanDerWaalsContact O-N 3.14Å |
| 1416 | S | 42.3 | Very low | 37.2 | Very low | 55.4 Ų | 55.4 | 112.1 Ų | 112.1 | 39% | 0.387 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.9 | -30 | 177.3 | 60 | 0 | 0 | 0 | 0 | 113.4 | N1412 N1413 V1414 K1419 M1420 | N1412-S1416 PolarHBondContact O-N 3.03Å; N1412-S1416 PolarHBondContact O-OG 3.12Å; N1413-S1416 VanDerWaalsContact CA-OG 3.31Å; N1413-S1416 WeakPolarHBondContact CA-OG 3.25Å; N1413-S1416 PolarHBondContact O-N 2.79Å; N1413-S1416 PolarHBondContact O-OG 3.2Å; N1413-S1416 VanDerWaalsContact O-OG 3.11Å; V1414-S1416 VanDerWaalsContact C-N 3.3Å; V1414-S1416 PolarHBondContact O-N 3.07Å; S1416-K1419 PolarHBondContact O-N 3.39Å; S1416-M1420 VanDerWaalsContact O-CB 3.24Å; S1416-M1420 WeakPolarHBondContact O-CB 3.37Å; S1416-M1420 VanDerWaalsContact O-CG 3.24Å; S1416-M1420 WeakPolarHBondContact O-CG 3.37Å; S1416-M1420 PolarHBondContact O-N 3.23Å; S1416-M1420 VanDerWaalsContact O-N 3.13Å |
| 1417 | S | 39.7 | Very low | 37.4 | Very low | 64.6 Ų | 64.6 | 111.2 Ų | 111.2 | 45% | 0.452 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.2 | -42 | 178.3 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | N1413 V1414 I1415 K1419 M1420 T1421 | N1413-S1417 WeakPolarHBondContact O-CB 3.27Å; N1413-S1417 PolarHBondContact O-N 3.44Å; N1413-S1417 PolarHBondContact O-OG 3.35Å; N1413-S1417 VanDerWaalsContact O-OG 3.13Å; V1414-S1417 WeakPolarHBondContact CA-OG 3.16Å; V1414-S1417 PolarHBondContact O-N 2.94Å; V1414-S1417 VanDerWaalsContact O-N 3.13Å; V1414-S1417 PolarHBondContact O-OG 3.19Å; I1415-S1417 VanDerWaalsContact C-N 3.32Å; I1415-S1417 PolarHBondContact O-N 2.97Å; S1417-K1419 VanDerWaalsContact C-N 3.33Å; S1417-K1419 PolarHBondContact O-N 3.18Å; S1417-M1420 PolarHBondContact O-N 3.19Å; S1417-T1421 WeakPolarHBondContact O-CB 3.35Å; S1417-T1421 VanDerWaalsContact O-CG2 3.3Å; S1417-T1421 WeakPolarHBondContact O-CG2 3.43Å; S1417-T1421 PolarHBondContact O-N 3.35Å; S1417-T1421 PolarHBondContact O-OG1 3.11Å; S1417-T1421 VanDerWaalsContact O-OG1 3.09Å |
| 1418 | E | 39.9 | Very low | 37.5 | Very low | 119.4 Ų | 119.4 | 109.2 Ų | 109.2 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 177 | -72.4 | -176.8 | 166.4 | 0 | 0 | 111.8 | K1301 V1414 I1415 M1420 T1421 L1422 | K1301-E1418 WeakPolarHBondContact CD-OE1 3.49Å; K1301-E1418 WeakPolarHBondContact CD-OE2 3.09Å; K1301-E1418 IonicContact NZ-OE1 3.67Å; K1301-E1418 PolarHBondContact NZ-OE1 2.99Å; K1301-E1418 IonicContact NZ-OE2 2.85Å; V1414-E1418 HydrophobicContact CG1-CG 4.49Å; V1414-E1418 WeakPolarHBondContact O-CG 3.12Å; V1414-E1418 PolarHBondContact O-N 3.19Å; V1414-E1418 VanDerWaalsContact O-N 3.1Å; I1415-E1418 PolarHBondContact O-N 2.92Å; E1418-M1420 PolarHBondContact O-N 3.16Å; E1418-T1421 VanDerWaalsContact CA-OG1 3.26Å; E1418-T1421 WeakPolarHBondContact CA-OG1 3.38Å; E1418-T1421 CarbonylContact O-C 3.6Å; E1418-T1421 PolarHBondContact O-N 3.15Å; E1418-T1421 PolarHBondContact O-OG1 3.31Å; E1418-L1422 VanDerWaalsContact O-CB 3.3Å; E1418-L1422 WeakPolarHBondContact O-CB 3.21Å; E1418-L1422 PolarHBondContact O-N 3.19Å |
| 1419 | K | 39 | Very low | 37.4 | Very low | 132 Ų | 132 | 108.7 Ų | 108.7 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.2 | -35.3 | 176.2 | -128.9 | 176.3 | -174.1 | -178.9 | 0 | 112.3 | L1394 I1415 S1416 S1417 L1422 N1423 | L1394-K1419 HydrophobicContact CD2-CD 4.26Å; I1415-K1419 HydrophobicContact CG2-CD 4.1Å; I1415-K1419 HydrophobicContact CG2-CG 4.38Å; I1415-K1419 VanDerWaalsContact O-CB 3.29Å; I1415-K1419 WeakPolarHBondContact O-CB 3.39Å; I1415-K1419 VanDerWaalsContact O-CG 3.28Å; I1415-K1419 WeakPolarHBondContact O-CG 3.47Å; I1415-K1419 PolarHBondContact O-N 3.23Å; I1415-K1419 VanDerWaalsContact O-N 3.14Å; S1416-K1419 PolarHBondContact O-N 3.39Å; S1417-K1419 VanDerWaalsContact C-N 3.33Å; S1417-K1419 PolarHBondContact O-N 3.18Å; K1419-L1422 PolarHBondContact O-N 3.15Å; K1419-N1423 VanDerWaalsContact O-CB 3.25Å; K1419-N1423 WeakPolarHBondContact O-CB 3.37Å; K1419-N1423 VanDerWaalsContact O-CG 3.28Å; K1419-N1423 PolarHBondContact O-N 3.1Å |
| 1420 | M | 39.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 105.9 Ų | 105.9 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.6 | -37.5 | 171.7 | -85.3 | -165.8 | -172.3 | 0 | 0 | 112.5 | S1416 S1417 E1418 K1424 | S1416-M1420 VanDerWaalsContact O-CB 3.24Å; S1416-M1420 WeakPolarHBondContact O-CB 3.37Å; S1416-M1420 VanDerWaalsContact O-CG 3.24Å; S1416-M1420 WeakPolarHBondContact O-CG 3.37Å; S1416-M1420 PolarHBondContact O-N 3.23Å; S1416-M1420 VanDerWaalsContact O-N 3.13Å; S1417-M1420 PolarHBondContact O-N 3.19Å; E1418-M1420 PolarHBondContact O-N 3.16Å; M1420-K1424 WeakPolarHBondContact O-CB 3.35Å; M1420-K1424 WeakPolarHBondContact O-CG 3.34Å; M1420-K1424 PolarHBondContact O-N 3.27Å; M1420-K1424 VanDerWaalsContact O-N 3.1Å |
| 1421 | T | 42.5 | Very low | 37.5 | Very low | 69.6 Ų | 69.6 | 104.4 Ų | 104.4 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.4 | -34.8 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | S1417 E1418 K1424 K1425 | S1417-T1421 WeakPolarHBondContact O-CB 3.35Å; S1417-T1421 VanDerWaalsContact O-CG2 3.3Å; S1417-T1421 WeakPolarHBondContact O-CG2 3.43Å; S1417-T1421 PolarHBondContact O-N 3.35Å; S1417-T1421 PolarHBondContact O-OG1 3.11Å; S1417-T1421 VanDerWaalsContact O-OG1 3.09Å; E1418-T1421 VanDerWaalsContact CA-OG1 3.26Å; E1418-T1421 WeakPolarHBondContact CA-OG1 3.38Å; E1418-T1421 CarbonylContact O-C 3.6Å; E1418-T1421 PolarHBondContact O-N 3.15Å; E1418-T1421 PolarHBondContact O-OG1 3.31Å; T1421-K1424 PolarHBondContact O-N 2.9Å; T1421-K1425 VanDerWaalsContact O-CB 3.29Å; T1421-K1425 WeakPolarHBondContact O-CB 3.39Å; T1421-K1425 VanDerWaalsContact O-CG 3.27Å; T1421-K1425 WeakPolarHBondContact O-CG 3.4Å; T1421-K1425 PolarHBondContact O-N 3.18Å |
| 1422 | L | 39.3 | Very low | 37.6 | Very low | 76.4 Ų | 76.4 | 99.1 Ų | 99.1 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 173.6 | -155.6 | 87.7 | 0 | 0 | 0 | 111.5 | E1302 I1305 E1418 K1419 K1424 K1425 I1426 | E1302-L1422 HydrophobicContact CB-CD1 3.53Å; E1302-L1422 HydrophobicContact CG-CD1 3.49Å; E1302-L1422 VanDerWaalsContact CG-CD1 3.49Å; I1305-L1422 HydrophobicContact CG2-CD2 4.26Å; E1418-L1422 VanDerWaalsContact O-CB 3.3Å; E1418-L1422 WeakPolarHBondContact O-CB 3.21Å; E1418-L1422 PolarHBondContact O-N 3.19Å; K1419-L1422 PolarHBondContact O-N 3.15Å; L1422-K1424 VanDerWaalsContact C-N 3.32Å; L1422-K1424 PolarHBondContact O-N 2.97Å; L1422-K1425 CarbonylContact O-C 3.55Å; L1422-K1425 WeakPolarHBondContact O-CA 3.48Å; L1422-K1425 WeakPolarHBondContact O-CB 3.45Å; L1422-K1425 PolarHBondContact O-N 3.12Å; L1422-K1425 VanDerWaalsContact O-N 3.11Å; L1422-I1426 HydrophobicContact CD2-CD1 3.98Å; L1422-I1426 HydrophobicContact CG-CD1 4Å; L1422-I1426 HydrophobicContact CG-CG1 4.45Å; L1422-I1426 WeakPolarHBondContact O-CB 3.41Å; L1422-I1426 WeakPolarHBondContact O-CD1 3.34Å; L1422-I1426 VanDerWaalsContact O-CG1 3.27Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.36Å; L1422-I1426 PolarHBondContact O-N 3.22Å |
| 1423 | N | 38.7 | Very low | 38 | Very low | 87.6 Ų | 87.6 | 94.9 Ų | 94.9 | 47% | 0.468 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.5 | -78.7 | -1.1 | 0 | 0 | 0 | 112.1 | K1419 K1425 I1426 E1427 | K1419-N1423 VanDerWaalsContact O-CB 3.25Å; K1419-N1423 WeakPolarHBondContact O-CB 3.37Å; K1419-N1423 VanDerWaalsContact O-CG 3.28Å; K1419-N1423 PolarHBondContact O-N 3.1Å; N1423-K1425 VanDerWaalsContact C-N 3.31Å; N1423-K1425 PolarHBondContact O-N 3.43Å; N1423-I1426 CarbonylContact O-C 3.54Å; N1423-I1426 PolarHBondContact O-N 3.18Å; N1423-E1427 WeakPolarHBondContact O-CB 3.3Å; N1423-E1427 WeakPolarHBondContact O-CG 3.17Å; N1423-E1427 PolarHBondContact O-N 3.26Å; N1423-E1427 VanDerWaalsContact O-N 3.09Å |
| 1424 | K | 39.4 | Very low | 38.5 | Very low | 138 Ų | 138 | 92.5 Ų | 92.5 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -35.5 | 172.8 | -79.2 | -177.6 | 174.3 | -175.9 | 0 | 112.7 | M1420 T1421 L1422 I1426 E1427 L1428 | M1420-K1424 WeakPolarHBondContact O-CB 3.35Å; M1420-K1424 WeakPolarHBondContact O-CG 3.34Å; M1420-K1424 PolarHBondContact O-N 3.27Å; M1420-K1424 VanDerWaalsContact O-N 3.1Å; T1421-K1424 PolarHBondContact O-N 2.9Å; L1422-K1424 VanDerWaalsContact C-N 3.32Å; L1422-K1424 PolarHBondContact O-N 2.97Å; K1424-I1426 VanDerWaalsContact C-N 3.32Å; K1424-E1427 PolarHBondContact O-N 3.06Å; K1424-L1428 VanDerWaalsContact O-CB 3.28Å; K1424-L1428 WeakPolarHBondContact O-CB 3.46Å; K1424-L1428 WeakPolarHBondContact O-CD1 3.31Å; K1424-L1428 VanDerWaalsContact O-CG 3.28Å; K1424-L1428 WeakPolarHBondContact O-CG 3.44Å; K1424-L1428 PolarHBondContact O-N 3.03Å |
| 1425 | K | 38.3 | Very low | 39 | Very low | 113.6 Ų | 113.6 | 90.8 Ų | 90.8 | 49% | 0.494 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 174.2 | -78.8 | 176 | 176.8 | -176.4 | 0 | 112 | Y1294 S1297 E1302 T1421 L1422 N1423 L1428 W1429 | Y1294-K1425 HydrophobicContact CE1-CB 3.79Å; Y1294-K1425 HydrophobicContact CE1-CD 3.82Å; Y1294-K1425 HydrophobicContact CE1-CG 4.23Å; Y1294-K1425 WeakPolarHBondContact OH-CB 3.14Å; Y1294-K1425 WeakPolarHBondContact OH-CD 3.15Å; S1297-K1425 PolarHBondContact O-NZ 3.26Å; E1302-K1425 WeakPolarHBondContact OE1-CE 3.17Å; E1302-K1425 IonicContact OE1-NZ 2.7Å; E1302-K1425 PolarHBondContact OE1-NZ 3.3Å; E1302-K1425 IonicContact OE2-NZ 3.95Å; E1302-K1425 PolarHBondContact OE2-NZ 3.28Å; T1421-K1425 VanDerWaalsContact O-CB 3.29Å; T1421-K1425 WeakPolarHBondContact O-CB 3.39Å; T1421-K1425 VanDerWaalsContact O-CG 3.27Å; T1421-K1425 WeakPolarHBondContact O-CG 3.4Å; T1421-K1425 PolarHBondContact O-N 3.18Å; L1422-K1425 CarbonylContact O-C 3.55Å; L1422-K1425 WeakPolarHBondContact O-CA 3.48Å; L1422-K1425 WeakPolarHBondContact O-CB 3.45Å; L1422-K1425 PolarHBondContact O-N 3.12Å; L1422-K1425 VanDerWaalsContact O-N 3.11Å; N1423-K1425 VanDerWaalsContact C-N 3.31Å; N1423-K1425 PolarHBondContact O-N 3.43Å; K1425-L1428 WeakPolarHBondContact O-CB 3.45Å; K1425-L1428 PolarHBondContact O-N 3.47Å; K1425-W1429 HydrophobicContact CB-CH2 4.08Å; K1425-W1429 HydrophobicContact CB-CZ2 4.11Å; K1425-W1429 HydrophobicContact CB-CZ3 4.43Å; K1425-W1429 HydrophobicContact CG-CZ2 4.47Å; K1425-W1429 PolarHBondContact O-N 3.29Å; K1425-W1429 VanDerWaalsContact O-N 3.11Å |
| 1426 | I | 38.3 | Very low | 40 | Very low | 57 Ų | 57 | 86.6 Ų | 86.6 | 29% | 0.292 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.7 | -37 | 178 | -69.5 | 165.6 | 0 | 0 | 0 | 111.4 | P1373 M1387 L1422 N1423 K1424 L1428 W1429 N1430 | P1373-I1426 HydrophobicContact CB-CD1 4.35Å; M1387-I1426 HydrophobicContact CE-CB 4.25Å; M1387-I1426 HydrophobicContact CE-CD1 4.41Å; M1387-I1426 HydrophobicContact CE-CG1 4.15Å; M1387-I1426 HydrophobicContact CE-CG2 3.23Å; L1422-I1426 HydrophobicContact CD2-CD1 3.98Å; L1422-I1426 HydrophobicContact CG-CD1 4Å; L1422-I1426 HydrophobicContact CG-CG1 4.45Å; L1422-I1426 WeakPolarHBondContact O-CB 3.41Å; L1422-I1426 WeakPolarHBondContact O-CD1 3.34Å; L1422-I1426 VanDerWaalsContact O-CG1 3.27Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.36Å; L1422-I1426 PolarHBondContact O-N 3.22Å; N1423-I1426 CarbonylContact O-C 3.54Å; N1423-I1426 PolarHBondContact O-N 3.18Å; K1424-I1426 VanDerWaalsContact C-N 3.32Å; I1426-L1428 VanDerWaalsContact C-N 3.31Å; I1426-L1428 PolarHBondContact O-N 3Å; I1426-W1429 HydrophobicContact CG1-CE3 4.16Å; I1426-W1429 HydrophobicContact CG1-CZ3 4.34Å; I1426-W1429 WeakPolarHBondContact O-CB 2.99Å; I1426-W1429 PolarHBondContact O-N 2.96Å; I1426-N1430 WeakPolarHBondContact O-CB 3.28Å; I1426-N1430 PolarHBondContact O-N 2.69Å; I1426-N1430 PolarHBondContact O-ND2 3.47Å |
| 1427 | E | 35.1 | Very low | 40.6 | Very low | 130.2 Ų | 130.2 | 85.7 Ų | 85.7 | 61% | 0.608 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.5 | -35.7 | 172.1 | -98.6 | 176.9 | 163.3 | 0 | 0 | 111.9 | N1423 K1424 W1429 N1430 L1431 | N1423-E1427 WeakPolarHBondContact O-CB 3.3Å; N1423-E1427 WeakPolarHBondContact O-CG 3.17Å; N1423-E1427 PolarHBondContact O-N 3.26Å; N1423-E1427 VanDerWaalsContact O-N 3.09Å; K1424-E1427 PolarHBondContact O-N 3.06Å; E1427-W1429 VanDerWaalsContact C-N 3.29Å; E1427-W1429 PolarHBondContact O-N 3.23Å; E1427-N1430 WeakPolarHBondContact O-CB 3.2Å; E1427-N1430 PolarHBondContact O-N 3.02Å; E1427-N1430 VanDerWaalsContact O-N 3.14Å; E1427-L1431 WeakPolarHBondContact O-CB 3.14Å; E1427-L1431 WeakPolarHBondContact O-CD1 3.24Å; E1427-L1431 WeakPolarHBondContact O-CG 3.46Å; E1427-L1431 PolarHBondContact O-N 2.99Å |
| 1428 | L | 34.7 | Very low | 41.5 | Very low | 94.2 Ų | 94.2 | 85 Ų | 85 | 49% | 0.493 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -24.5 | 174.8 | -101.9 | 137.9 | 0 | 0 | 0 | 113.5 | R1295 S1393 K1424 K1425 I1426 | R1295-L1428 PolarHBondContact NH1-O 2.62Å; S1393-L1428 PolarHBondContact OG-O 2.87Å; K1424-L1428 VanDerWaalsContact O-CB 3.28Å; K1424-L1428 WeakPolarHBondContact O-CB 3.46Å; K1424-L1428 WeakPolarHBondContact O-CD1 3.31Å; K1424-L1428 VanDerWaalsContact O-CG 3.28Å; K1424-L1428 WeakPolarHBondContact O-CG 3.44Å; K1424-L1428 PolarHBondContact O-N 3.03Å; K1425-L1428 WeakPolarHBondContact O-CB 3.45Å; K1425-L1428 PolarHBondContact O-N 3.47Å; I1426-L1428 VanDerWaalsContact C-N 3.31Å; I1426-L1428 PolarHBondContact O-N 3Å |
| 1429 | W | 34.2 | Very low | 42.1 | Very low | 133.4 Ų | 133.4 | 82.2 Ų | 82.2 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -85.3 | -25.5 | -179.8 | -79 | 25.9 | 0 | 0 | 0 | 113.8 | F1293 Y1294 H1377 K1425 I1426 E1427 L1431 G1432 A1433 | F1293-W1429 HydrophobicContact CB-CH2 3.37Å; F1293-W1429 HydrophobicContact CB-CZ2 3.77Å; F1293-W1429 HydrophobicContact CB-CZ3 4.02Å; F1293-W1429 HydrophobicContact CG-CH2 4.46Å; F1293-W1429 VanDerWaalsContact O-CZ2 3.24Å; F1293-W1429 WeakPolarHBondContact O-CZ2 3.28Å; Y1294-W1429 AromaticContact CD1-NE1 3.88Å; Y1294-W1429 AromaticContact CD2-CE2 3.69Å; Y1294-W1429 HydrophobicContact CD2-CH2 4.24Å; Y1294-W1429 AromaticContact CD2-CZ2 3.26Å; Y1294-W1429 HydrophobicContact CD2-CZ2 3.26Å; Y1294-W1429 AromaticContact CD2-NE1 3.72Å; Y1294-W1429 HydrophobicContact CE2-CZ2 4.1Å; Y1294-W1429 AromaticContact CG-CE2 3.94Å; Y1294-W1429 AromaticContact CG-CZ2 3.66Å; Y1294-W1429 HydrophobicContact CG-CZ2 3.66Å; Y1294-W1429 AromaticContact CG-NE1 3.65Å; H1377-W1429 AromaticContact CE1-CZ2 3.93Å; K1425-W1429 HydrophobicContact CB-CH2 4.08Å; K1425-W1429 HydrophobicContact CB-CZ2 4.11Å; K1425-W1429 HydrophobicContact CB-CZ3 4.43Å; K1425-W1429 HydrophobicContact CG-CZ2 4.47Å; K1425-W1429 PolarHBondContact O-N 3.29Å; K1425-W1429 VanDerWaalsContact O-N 3.11Å; I1426-W1429 HydrophobicContact CG1-CE3 4.16Å; I1426-W1429 HydrophobicContact CG1-CZ3 4.34Å; I1426-W1429 WeakPolarHBondContact O-CB 2.99Å; I1426-W1429 PolarHBondContact O-N 2.96Å; E1427-W1429 VanDerWaalsContact C-N 3.29Å; E1427-W1429 PolarHBondContact O-N 3.23Å; W1429-L1431 PolarHBondContact O-N 3.12Å; W1429-G1432 PolarHBondContact O-N 3.29Å; W1429-A1433 PolarHBondContact O-N 3.42Å |
| 1430 | N | 34.4 | Very low | 42.9 | Very low | 77.2 Ų | 77.2 | 78 Ų | 78 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -81.6 | -1.6 | -179.2 | -75.6 | -25.9 | 0 | 0 | 0 | 113.7 | K1301 N1391 L1394 I1426 E1427 G1432 | K1301-N1430 VanDerWaalsContact CE-CG 3.43Å; K1301-N1430 WeakPolarHBondContact CE-OD1 3.48Å; N1391-N1430 VanDerWaalsContact CG-O 3.27Å; N1391-N1430 PolarHBondContact ND2-O 2.91Å; L1394-N1430 HydrophobicContact CD1-CB 4.24Å; I1426-N1430 WeakPolarHBondContact O-CB 3.28Å; I1426-N1430 PolarHBondContact O-N 2.69Å; I1426-N1430 PolarHBondContact O-ND2 3.47Å; E1427-N1430 WeakPolarHBondContact O-CB 3.2Å; E1427-N1430 PolarHBondContact O-N 3.02Å; E1427-N1430 VanDerWaalsContact O-N 3.14Å; N1430-G1432 VanDerWaalsContact C-N 3.3Å; N1430-G1432 PolarHBondContact O-N 3.29Å |
| 1431 | L | 33.5 | Very low | 43.7 | Very low | 102.8 Ų | 102.8 | 76.2 Ų | 76.2 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.5 | 174.4 | -72.7 | 159.8 | 0 | 0 | 0 | 112.7 | N1391 E1427 W1429 A1433 E1434 | N1391-L1431 WeakPolarHBondContact ND2-CA 3.11Å; E1427-L1431 WeakPolarHBondContact O-CB 3.14Å; E1427-L1431 WeakPolarHBondContact O-CD1 3.24Å; E1427-L1431 WeakPolarHBondContact O-CG 3.46Å; E1427-L1431 PolarHBondContact O-N 2.99Å; W1429-L1431 PolarHBondContact O-N 3.12Å; L1431-A1433 PolarHBondContact O-N 3.26Å; L1431-E1434 HydrophobicContact CD2-CG 4.45Å; L1431-E1434 WeakPolarHBondContact CD2-OE1 3.44Å; L1431-E1434 WeakPolarHBondContact CD2-OE2 3.23Å |
| 1432 | G | 36.7 | Very low | 44.5 | Very low | 27.6 Ų | 27.6 | 75.4 Ų | 75.4 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -9.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R1295 F1390 N1391 S1393 W1429 N1430 E1434 | R1295-G1432 VanDerWaalsContact NH2-CA 3.31Å; F1390-G1432 CarbonylContact C-O 3.3Å; F1390-G1432 VanDerWaalsContact O-O 3.11Å; N1391-G1432 WeakPolarHBondContact CA-O 3.27Å; N1391-G1432 PolarHBondContact ND2-O 2.84Å; N1391-G1432 WeakPolarHBondContact OD1-CA 3.29Å; N1391-G1432 PolarHBondContact OD1-N 3.38Å; N1391-G1432 PolarHBondContact OD1-O 2.79Å; S1393-G1432 PolarHBondContact OG-O 3.01Å; W1429-G1432 PolarHBondContact O-N 3.29Å; N1430-G1432 VanDerWaalsContact C-N 3.3Å; N1430-G1432 PolarHBondContact O-N 3.29Å; G1432-E1434 PolarHBondContact O-N 3.42Å |
| 1433 | A | 40.6 | Very low | 45.4 | Very low | 42.2 Ų | 42.2 | 72.8 Ų | 72.8 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -129 | 44.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1300 I1389 F1390 N1391 K1392 W1429 L1431 N1435 | S1300-A1433 VanDerWaalsContact CB-O 3.32Å; S1300-A1433 WeakPolarHBondContact CB-O 3.35Å; S1300-A1433 PolarHBondContact N-O 3.33Å; S1300-A1433 VanDerWaalsContact N-O 3.17Å; S1300-A1433 PolarHBondContact OG-O 2.9Å; I1389-A1433 HydrophobicContact CG2-CB 3.44Å; I1389-A1433 VanDerWaalsContact CG2-CB 3.44Å; F1390-A1433 CarbonylContact C-O 3.58Å; F1390-A1433 CarbonylContact O-C 3.58Å; F1390-A1433 VanDerWaalsContact O-C 3.23Å; N1391-A1433 WeakPolarHBondContact ND2-CB 3.27Å; N1391-A1433 PolarHBondContact OD1-N 3.41Å; K1392-A1433 HydrophobicContact CB-CB 4.21Å; W1429-A1433 PolarHBondContact O-N 3.42Å; L1431-A1433 PolarHBondContact O-N 3.26Å; A1433-N1435 VanDerWaalsContact C-N 3.28Å; A1433-N1435 PolarHBondContact O-N 3.28Å |
| 1434 | E | 47.9 | Very low | 46.4 | Very low | 79.6 Ų | 79.6 | 71.5 Ų | 71.5 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | trans | -80.8 | 18.9 | -173.9 | -69.9 | -172.3 | 166.3 | 0 | 0 | 113.2 | S1299 S1300 I1389 F1390 K1392 L1431 G1432 | S1299-E1434 CarbonylContact C-O 3.49Å; S1299-E1434 VanDerWaalsContact CA-O 3.3Å; S1299-E1434 WeakPolarHBondContact CA-O 3.37Å; S1299-E1434 WeakPolarHBondContact CB-O 3.48Å; S1300-E1434 PolarHBondContact N-O 3.37Å; I1389-E1434 HydrophobicContact CG2-CB 3.59Å; I1389-E1434 HydrophobicContact CG2-CG 3.27Å; I1389-E1434 WeakPolarHBondContact CG2-OE1 3.46Å; I1389-E1434 VanDerWaalsContact CG2-OE2 3.25Å; I1389-E1434 WeakPolarHBondContact CG2-OE2 3.49Å; F1390-E1434 WeakPolarHBondContact O-CA 3.3Å; F1390-E1434 PolarHBondContact O-N 3.13Å; F1390-E1434 VanDerWaalsContact O-N 3.13Å; K1392-E1434 WeakPolarHBondContact CD-OE2 3.38Å; K1392-E1434 IonicContact NZ-OE2 3.72Å; K1392-E1434 PolarHBondContact NZ-OE2 2.94Å; L1431-E1434 HydrophobicContact CD2-CG 4.45Å; L1431-E1434 WeakPolarHBondContact CD2-OE1 3.44Å; L1431-E1434 WeakPolarHBondContact CD2-OE2 3.23Å; G1432-E1434 PolarHBondContact O-N 3.42Å | ||
| 1435 | N | 50 | Low | 47.4 | Very low | 58.8 Ų | 58.8 | 70.2 Ų | 70.2 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 105.4 | -179.7 | -79.7 | -11.5 | 0 | 0 | 0 | 111.6 | P1053 S1297 L1298 F1390 A1433 | P1053-N1435 HydrophobicContact CB-CB 3.84Å; S1297-N1435 WeakPolarHBondContact CB-OD1 3.46Å; S1297-N1435 PolarHBondContact O-OD1 3.4Å; S1297-N1435 VanDerWaalsContact OG-CB 3.27Å; S1297-N1435 WeakPolarHBondContact OG-CB 3.3Å; S1297-N1435 PolarHBondContact OG-ND2 3.3Å; S1297-N1435 VanDerWaalsContact OG-ND2 3.15Å; S1297-N1435 PolarHBondContact OG-OD1 3.37Å; L1298-N1435 CarbonylContact O-C 3.52Å; L1298-N1435 WeakPolarHBondContact O-CA 3.45Å; F1390-N1435 HydrophobicContact CB-CB 4.31Å; F1390-N1435 HydrophobicContact CD2-CB 3.98Å; F1390-N1435 WeakPolarHBondContact CD2-O 3.3Å; F1390-N1435 PolarHBondContact N-O 3.05Å; A1433-N1435 VanDerWaalsContact C-N 3.28Å; A1433-N1435 PolarHBondContact O-N 3.28Å |
| 1436 | L | 55.4 | Low | 48.5 | Very low | 31.8 Ų | 31.8 | 67 Ų | 67 | 17% | 0.166 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.4 | 178.5 | -65.3 | 166.8 | 0 | 0 | 0 | 109.7 | L1291 S1297 L1298 L1303 H1377 L1380 M1387 I1389 | L1291-L1436 HydrophobicContact CD2-CB 3.95Å; L1291-L1436 HydrophobicContact CD2-CD1 4.46Å; S1297-L1436 CarbonylContact C-O 3.51Å; S1297-L1436 WeakPolarHBondContact CA-O 3.42Å; S1297-L1436 WeakPolarHBondContact CB-O 3.35Å; L1298-L1436 PolarHBondContact N-O 3.34Å; L1298-L1436 WeakPolarHBondContact O-CA 3.43Å; L1298-L1436 VanDerWaalsContact O-CB 3.28Å; L1298-L1436 WeakPolarHBondContact O-CB 3.29Å; L1298-L1436 VanDerWaalsContact O-CG 3.24Å; L1298-L1436 WeakPolarHBondContact O-CG 3.38Å; L1298-L1436 PolarHBondContact O-N 3.07Å; L1303-L1436 HydrophobicContact CB-CD1 4.24Å; L1303-L1436 HydrophobicContact CD2-CD1 3.61Å; L1303-L1436 HydrophobicContact CG-CD1 4.49Å; H1377-L1436 PolarHBondContact NE2-O 3.38Å; L1380-L1436 HydrophobicContact CD1-CD1 4Å; L1380-L1436 HydrophobicContact CD1-CD2 3.98Å; L1380-L1436 HydrophobicContact CD2-CD1 4.16Å; L1380-L1436 HydrophobicContact CD2-CD2 4.27Å; L1380-L1436 HydrophobicContact CG-CD2 4.31Å; M1387-L1436 HydrophobicContact CE-CB 3.67Å; M1387-L1436 HydrophobicContact CE-CD2 3.96Å; M1387-L1436 HydrophobicContact CE-CG 4.29Å; I1389-L1436 HydrophobicContact CD1-CD2 4.35Å; I1389-L1436 HydrophobicContact CG1-CD2 3.92Å |
| 1437 | S | 56.5 | Low | 49.6 | Very low | 35 Ų | 35 | 64.9 Ų | 64.9 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 145.5 | 171.9 | 58 | 0 | 0 | 0 | 0 | 110.7 | P1053 M1387 I1388 F1390 | P1053-S1437 WeakPolarHBondContact CA-OG 3.45Å; P1053-S1437 WeakPolarHBondContact CB-OG 3.13Å; M1387-S1437 CarbonylContact C-O 3.59Å; M1387-S1437 VanDerWaalsContact CA-O 3.3Å; M1387-S1437 WeakPolarHBondContact CA-O 3.42Å; M1387-S1437 VanDerWaalsContact CE-N 3.32Å; M1387-S1437 WeakPolarHBondContact CE-O 2.93Å; I1388-S1437 PolarHBondContact N-O 3.27Å; I1388-S1437 PolarHBondContact O-N 3.08Å; F1390-S1437 VanDerWaalsContact CD2-O 3.27Å; F1390-S1437 WeakPolarHBondContact CD2-O 3.37Å; F1390-S1437 VanDerWaalsContact CE2-OG 3.23Å; F1390-S1437 WeakPolarHBondContact CE2-OG 3.25Å |
| 1438 | F | 57.7 | Low | 50.8 | Low | 49.8 Ų | 49.8 | 62.7 Ų | 62.7 | 22% | 0.218 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 139.1 | 171.4 | -72.6 | -77.2 | 0 | 0 | 0 | 111 | P1053 L1288 L1291 I1292 M1387 S1440 I1443 E1444 | P1053-F1438 VanDerWaalsContact CG-O 3.24Å; P1053-F1438 WeakPolarHBondContact CG-O 3.29Å; L1288-F1438 HydrophobicContact CD2-CE1 4.13Å; L1288-F1438 HydrophobicContact CD2-CZ 4.15Å; L1291-F1438 HydrophobicContact CB-CD2 4.39Å; L1291-F1438 HydrophobicContact CB-CE2 3.64Å; L1291-F1438 HydrophobicContact CB-CZ 3.97Å; L1291-F1438 HydrophobicContact CD1-CZ 4.36Å; I1292-F1438 HydrophobicContact CD1-CE2 4.44Å; I1292-F1438 HydrophobicContact CD1-CZ 4.34Å; I1292-F1438 HydrophobicContact CG1-CD2 4.45Å; I1292-F1438 HydrophobicContact CG1-CE2 3.76Å; I1292-F1438 VanDerWaalsContact CG1-CE2 3.46Å; I1292-F1438 HydrophobicContact CG1-CZ 3.85Å; M1387-F1438 HydrophobicContact SD-CB 4.37Å; M1387-F1438 HydrophobicContact SD-CD1 3.41Å; M1387-F1438 WeakPolarHBondContact SD-CD1 3.29Å; M1387-F1438 HydrophobicContact SD-CD2 4.31Å; M1387-F1438 HydrophobicContact SD-CE1 4.06Å; M1387-F1438 HydrophobicContact SD-CE2 4.48Å; M1387-F1438 HydrophobicContact SD-CG 3.78Å; M1387-F1438 HydrophobicContact SD-CZ 4.17Å; F1438-S1440 VanDerWaalsContact C-N 3.31Å; F1438-S1440 PolarHBondContact O-N 3.32Å; F1438-I1443 HydrophobicContact CD1-CG2 4.25Å; F1438-E1444 HydrophobicContact CB-CB 4.19Å; F1438-E1444 HydrophobicContact CB-CG 4.38Å; F1438-E1444 HydrophobicContact CD2-CB 4.17Å; F1438-E1444 HydrophobicContact CD2-CG 3.97Å; F1438-E1444 HydrophobicContact CE2-CG 4.32Å; F1438-E1444 HydrophobicContact CG-CB 4.25Å; F1438-E1444 HydrophobicContact CG-CG 4.48Å |
| 1439 | L | 52.1 | Low | 52 | Low | 60.6 Ų | 60.6 | 62.2 Ų | 62.2 | 32% | 0.317 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -65.3 | -17.7 | 174.8 | -109.6 | 155.3 | 0 | 0 | 0 | 115.5 | Y1238 M1239 P1385 L1386 I1388 I1389 F1390 I1443 | Y1238-L1439 HydrophobicContact CD1-CD1 3.83Å; Y1238-L1439 HydrophobicContact CD1-CD2 3.82Å; Y1238-L1439 HydrophobicContact CD1-CG 3.96Å; Y1238-L1439 HydrophobicContact CE1-CD1 3.59Å; Y1238-L1439 HydrophobicContact CE1-CD2 3.71Å; Y1238-L1439 HydrophobicContact CE1-CG 4.01Å; M1239-L1439 HydrophobicContact CG-CD1 3.95Å; M1239-L1439 HydrophobicContact SD-CD1 4.35Å; P1385-L1439 WeakPolarHBondContact O-CD1 3.41Å; L1386-L1439 PolarHBondContact O-N 3.05Å; I1388-L1439 HydrophobicContact CD1-CB 4.25Å; I1388-L1439 HydrophobicContact CD1-CD2 3.55Å; I1388-L1439 HydrophobicContact CD1-CG 4.24Å; I1388-L1439 HydrophobicContact CG1-CB 4.04Å; I1388-L1439 HydrophobicContact CG1-CD1 4.24Å; I1388-L1439 HydrophobicContact CG1-CD2 3.47Å; I1388-L1439 VanDerWaalsContact CG1-CD2 3.47Å; I1388-L1439 HydrophobicContact CG1-CG 4.08Å; I1389-L1439 HydrophobicContact CB-CB 3.63Å; I1389-L1439 HydrophobicContact CB-CD1 4.12Å; I1389-L1439 HydrophobicContact CD1-CB 3.94Å; I1389-L1439 HydrophobicContact CG1-CB 4.33Å; I1389-L1439 HydrophobicContact CG2-CB 3.7Å; I1389-L1439 HydrophobicContact CG2-CD1 3.82Å; I1389-L1439 HydrophobicContact CG2-CG 4.33Å; I1389-L1439 WeakPolarHBondContact O-CD1 3.4Å; F1390-L1439 HydrophobicContact CD1-CD1 3.76Å; F1390-L1439 HydrophobicContact CD2-CB 4.11Å; F1390-L1439 HydrophobicContact CD2-CD1 3.94Å; F1390-L1439 HydrophobicContact CD2-CG 4.17Å; F1390-L1439 HydrophobicContact CE1-CD1 3.34Å; F1390-L1439 HydrophobicContact CE1-CG 3.89Å; F1390-L1439 HydrophobicContact CE2-CB 3.57Å; F1390-L1439 HydrophobicContact CE2-CD1 3.57Å; F1390-L1439 HydrophobicContact CE2-CG 3.4Å; F1390-L1439 VanDerWaalsContact CE2-CG 3.4Å; F1390-L1439 HydrophobicContact CG-CD1 4.03Å; F1390-L1439 HydrophobicContact CZ-CB 3.99Å; F1390-L1439 HydrophobicContact CZ-CD1 3.26Å; F1390-L1439 HydrophobicContact CZ-CD2 4.38Å; F1390-L1439 HydrophobicContact CZ-CG 3.24Å; L1439-I1443 HydrophobicContact CB-CD1 3.67Å; L1439-I1443 VanDerWaalsContact CB-CD1 3.48Å; L1439-I1443 HydrophobicContact CD1-CD1 4.36Å; L1439-I1443 HydrophobicContact CD2-CD1 3.58Å; L1439-I1443 HydrophobicContact CG-CD1 4.34Å |
| 1440 | S | 56 | Low | 53.2 | Low | 44.2 Ų | 44.2 | 58.9 Ų | 58.9 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | trans | -160.8 | 147.3 | 167.4 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | F1438 S1442 I1443 E1444 | F1438-S1440 VanDerWaalsContact C-N 3.31Å; F1438-S1440 PolarHBondContact O-N 3.32Å; S1440-S1442 PolarHBondContact O-N 3.15Å; S1440-S1442 VanDerWaalsContact O-N 3.11Å; S1440-S1442 PolarHBondContact OG-OG 3.08Å; S1440-I1443 WeakPolarHBondContact O-CB 3.21Å; S1440-I1443 PolarHBondContact O-N 3.13Å; S1440-I1443 VanDerWaalsContact O-N 3.09Å; S1440-I1443 VanDerWaalsContact OG-CD1 3.31Å; S1440-I1443 WeakPolarHBondContact OG-CD1 3.34Å; S1440-I1443 VanDerWaalsContact OG-CG1 3.27Å; S1440-I1443 WeakPolarHBondContact OG-CG1 3.33Å; S1440-I1443 PolarHBondContact OG-N 3.18Å; S1440-E1444 PolarHBondContact O-N 2.92Å; S1440-E1444 VanDerWaalsContact O-N 3.13Å | ||
| 1441 | H | 56.8 | Low | 54.3 | Low | 89.6 Ų | 89.6 | 57.1 Ų | 57.1 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -23.5 | -175.1 | -162.1 | 12.7 | 0 | 0 | 0 | 112.9 | H1142 I1443 E1444 E1445 F1487 E1492 | H1142-H1441 AromaticContact CE1-CD2 3.56Å; H1142-H1441 PolarHBondContact CE1-CD2 3.02Å; H1142-H1441 AromaticContact CE1-NE2 3.77Å; H1142-H1441 AromaticContact NE2-CD2 3.6Å; H1142-H1441 PolarHBondContact NE2-CD2 3.4Å; H1441-I1443 VanDerWaalsContact C-N 3.3Å; H1441-I1443 PolarHBondContact O-N 3.22Å; H1441-E1444 IonicContact CE1-OE2 3.19Å; H1441-E1444 IonicContact CG-OE2 3.1Å; H1441-E1444 IonicContact ND1-OE2 3.35Å; H1441-E1444 PolarHBondContact ND1-OE2 2.98Å; H1441-E1444 CarbonylContact O-C 3.58Å; H1441-E1444 WeakPolarHBondContact O-CB 3.35Å; H1441-E1444 PolarHBondContact O-N 3.05Å; H1441-E1444 VanDerWaalsContact O-N 3.15Å; H1441-E1445 IonicContact CD2-OE1 3.66Å; H1441-E1445 IonicContact CE1-OE2 2.71Å; H1441-E1445 PolarHBondContact CE1-OE2 3.35Å; H1441-E1445 IonicContact ND1-OE2 3.62Å; H1441-E1445 PolarHBondContact ND1-OE2 2.9Å; H1441-E1445 IonicContact NE2-OE1 2.69Å; H1441-E1445 WeakPolarHBondContact O-CB 3.43Å; H1441-E1445 PolarHBondContact O-N 3.03Å; H1441-F1487 AromaticContact NE2-CE1 3.26Å; H1441-F1487 VanDerWaalsContact NE2-CE1 3.26Å; H1441-F1487 WeakPolarHBondContact NE2-CE1 3.39Å; H1441-E1492 IonicContact CE1-OE1 2.81Å; H1441-E1492 IonicContact CE1-OE2 2.67Å; H1441-E1492 PolarHBondContact CE1-OE2 2.87Å; H1441-E1492 IonicContact ND1-OE1 2.72Å; H1441-E1492 IonicContact NE2-OE2 2.8Å |
| 1442 | S | 58.2 | Low | 55.5 | Low | 53.2 Ų | 53.2 | 55.9 Ų | 55.9 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.4 | -26.3 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 114 | S1440 V1446 | S1440-S1442 PolarHBondContact O-N 3.15Å; S1440-S1442 VanDerWaalsContact O-N 3.11Å; S1440-S1442 PolarHBondContact OG-OG 3.08Å; S1442-V1446 WeakPolarHBondContact O-CB 3.2Å; S1442-V1446 WeakPolarHBondContact O-CG2 3.3Å; S1442-V1446 PolarHBondContact O-N 2.99Å; S1442-V1446 VanDerWaalsContact O-N 3.11Å |
| 1443 | I | 59.4 | Low | 56.4 | Low | 21.6 Ų | 21.6 | 61.6 Ų | 61.6 | 11% | 0.111 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.3 | -34.5 | 179.2 | -65.6 | 172.9 | 0 | 0 | 0 | 110.6 | M1239 I1264 I1268 T1372 L1386 I1389 F1438 L1439 S1440 H1441 E1445 V1446 V1447 | M1239-I1443 HydrophobicContact CE-CD1 4.09Å; M1239-I1443 HydrophobicContact CE-CG1 4.23Å; M1239-I1443 HydrophobicContact CG-CD1 4.42Å; M1239-I1443 HydrophobicContact SD-CD1 4Å; M1239-I1443 HydrophobicContact SD-CG1 4.39Å; I1264-I1443 HydrophobicContact CG2-CD1 4.26Å; I1264-I1443 HydrophobicContact CG2-CG1 4.38Å; I1268-I1443 HydrophobicContact CD1-CB 4.33Å; I1268-I1443 HydrophobicContact CD1-CD1 4.44Å; I1268-I1443 HydrophobicContact CD1-CG1 4.31Å; I1268-I1443 HydrophobicContact CD1-CG2 4Å; T1372-I1443 HydrophobicContact CG2-CD1 4.01Å; L1386-I1443 HydrophobicContact CD2-CG2 4.24Å; I1389-I1443 HydrophobicContact CD1-CD1 3.94Å; I1389-I1443 HydrophobicContact CD1-CG1 4.49Å; F1438-I1443 HydrophobicContact CD1-CG2 4.25Å; L1439-I1443 HydrophobicContact CB-CD1 3.67Å; L1439-I1443 VanDerWaalsContact CB-CD1 3.48Å; L1439-I1443 HydrophobicContact CD1-CD1 4.36Å; L1439-I1443 HydrophobicContact CD2-CD1 3.58Å; L1439-I1443 HydrophobicContact CG-CD1 4.34Å; S1440-I1443 WeakPolarHBondContact O-CB 3.21Å; S1440-I1443 PolarHBondContact O-N 3.13Å; S1440-I1443 VanDerWaalsContact O-N 3.09Å; S1440-I1443 VanDerWaalsContact OG-CD1 3.31Å; S1440-I1443 WeakPolarHBondContact OG-CD1 3.34Å; S1440-I1443 VanDerWaalsContact OG-CG1 3.27Å; S1440-I1443 WeakPolarHBondContact OG-CG1 3.33Å; S1440-I1443 PolarHBondContact OG-N 3.18Å; H1441-I1443 VanDerWaalsContact C-N 3.3Å; H1441-I1443 PolarHBondContact O-N 3.22Å; I1443-E1445 VanDerWaalsContact C-N 3.31Å; I1443-E1445 PolarHBondContact O-N 3.18Å; I1443-V1446 PolarHBondContact O-N 3.12Å; I1443-V1447 HydrophobicContact CG2-CG2 4.27Å; I1443-V1447 WeakPolarHBondContact O-CB 3.38Å; I1443-V1447 VanDerWaalsContact O-CG2 3.24Å; I1443-V1447 WeakPolarHBondContact O-CG2 3.23Å; I1443-V1447 PolarHBondContact O-N 3.13Å |
| 1444 | E | 59.4 | Low | 56.8 | Low | 61 Ų | 61 | 64 Ų | 64 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 176.3 | -157.6 | -173.1 | 164.1 | 0 | 0 | 112.1 | I1292 F1374 F1438 S1440 H1441 V1446 V1447 F1448 | I1292-E1444 HydrophobicContact CG1-CG 4.27Å; I1292-E1444 HydrophobicContact CG2-CG 4.31Å; F1374-E1444 HydrophobicContact CE1-CG 4.42Å; F1438-E1444 HydrophobicContact CB-CB 4.19Å; F1438-E1444 HydrophobicContact CB-CG 4.38Å; F1438-E1444 HydrophobicContact CD2-CB 4.17Å; F1438-E1444 HydrophobicContact CD2-CG 3.97Å; F1438-E1444 HydrophobicContact CE2-CG 4.32Å; F1438-E1444 HydrophobicContact CG-CB 4.25Å; F1438-E1444 HydrophobicContact CG-CG 4.48Å; S1440-E1444 PolarHBondContact O-N 2.92Å; S1440-E1444 VanDerWaalsContact O-N 3.13Å; H1441-E1444 IonicContact CE1-OE2 3.19Å; H1441-E1444 IonicContact CG-OE2 3.1Å; H1441-E1444 IonicContact ND1-OE2 3.35Å; H1441-E1444 PolarHBondContact ND1-OE2 2.98Å; H1441-E1444 CarbonylContact O-C 3.58Å; H1441-E1444 WeakPolarHBondContact O-CB 3.35Å; H1441-E1444 PolarHBondContact O-N 3.05Å; H1441-E1444 VanDerWaalsContact O-N 3.15Å; E1444-V1446 PolarHBondContact O-N 2.7Å; E1444-V1447 PolarHBondContact O-N 2.95Å; E1444-F1448 VanDerWaalsContact O-CB 3.24Å; E1444-F1448 WeakPolarHBondContact O-CB 3.32Å; E1444-F1448 PolarHBondContact O-N 3.23Å; E1444-F1448 VanDerWaalsContact O-N 3.12Å |
| 1445 | E | 60.2 | Low | 56.9 | Low | 111.6 Ų | 111.6 | 64.7 Ų | 64.7 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 179 | -114.9 | -177.7 | 168.2 | 0 | 0 | 113.2 | H1441 I1443 F1448 N1449 | H1441-E1445 IonicContact CD2-OE1 3.66Å; H1441-E1445 IonicContact CE1-OE2 2.71Å; H1441-E1445 PolarHBondContact CE1-OE2 3.35Å; H1441-E1445 IonicContact ND1-OE2 3.62Å; H1441-E1445 PolarHBondContact ND1-OE2 2.9Å; H1441-E1445 IonicContact NE2-OE1 2.69Å; H1441-E1445 WeakPolarHBondContact O-CB 3.43Å; H1441-E1445 PolarHBondContact O-N 3.03Å; I1443-E1445 VanDerWaalsContact C-N 3.31Å; I1443-E1445 PolarHBondContact O-N 3.18Å; E1445-F1448 PolarHBondContact O-N 2.91Å; E1445-N1449 VanDerWaalsContact O-CB 3.28Å; E1445-N1449 WeakPolarHBondContact O-CB 3.3Å; E1445-N1449 PolarHBondContact O-N 3.14Å; E1445-N1449 PolarHBondContact O-ND2 3.21Å; E1445-N1449 VanDerWaalsContact O-ND2 3.16Å; E1445-N1449 PolarHBondContact O-OD1 3.24Å |
| 1446 | V | 60.8 | Low | 56.6 | Low | 44.6 Ų | 44.6 | 64.4 Ų | 64.4 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | D1265 I1268 S1442 I1443 E1444 F1448 N1449 K1450 | D1265-V1446 HydrophobicContact CB-CG1 4.17Å; D1265-V1446 VanDerWaalsContact OD1-CG1 3.29Å; D1265-V1446 WeakPolarHBondContact OD1-CG1 3.41Å; D1265-V1446 VanDerWaalsContact OD1-CG2 3.24Å; D1265-V1446 WeakPolarHBondContact OD1-CG2 3.31Å; I1268-V1446 HydrophobicContact CB-CG1 4.29Å; I1268-V1446 HydrophobicContact CD1-CB 4.13Å; I1268-V1446 HydrophobicContact CD1-CG1 3.72Å; I1268-V1446 HydrophobicContact CG2-CG1 4.17Å; S1442-V1446 WeakPolarHBondContact O-CB 3.2Å; S1442-V1446 WeakPolarHBondContact O-CG2 3.3Å; S1442-V1446 PolarHBondContact O-N 2.99Å; S1442-V1446 VanDerWaalsContact O-N 3.11Å; I1443-V1446 PolarHBondContact O-N 3.12Å; E1444-V1446 PolarHBondContact O-N 2.7Å; V1446-F1448 VanDerWaalsContact C-N 3.31Å; V1446-F1448 PolarHBondContact O-N 3.17Å; V1446-N1449 PolarHBondContact O-N 3.4Å; V1446-K1450 VanDerWaalsContact O-CB 3.29Å; V1446-K1450 WeakPolarHBondContact O-CB 3.45Å; V1446-K1450 WeakPolarHBondContact O-CG 3.38Å; V1446-K1450 PolarHBondContact O-N 3.07Å; V1446-K1450 VanDerWaalsContact O-N 3.14Å |
| 1447 | V | 61.4 | Low | 56 | Low | 14.2 Ų | 14.2 | 70.3 Ų | 70.3 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | I1268 I1272 L1288 I1292 I1443 E1444 N1449 K1450 F1451 | I1268-V1447 HydrophobicContact CG2-CG2 3.92Å; I1272-V1447 HydrophobicContact CD1-CG1 4.49Å; L1288-V1447 HydrophobicContact CB-CG1 4.35Å; L1288-V1447 HydrophobicContact CD1-CG1 4.1Å; L1288-V1447 HydrophobicContact CD2-CG1 4.27Å; L1288-V1447 HydrophobicContact CG-CG1 4.49Å; I1292-V1447 HydrophobicContact CD1-CB 4.29Å; I1292-V1447 HydrophobicContact CD1-CG1 3.8Å; I1292-V1447 HydrophobicContact CG1-CG1 4.34Å; I1443-V1447 HydrophobicContact CG2-CG2 4.27Å; I1443-V1447 WeakPolarHBondContact O-CB 3.38Å; I1443-V1447 VanDerWaalsContact O-CG2 3.24Å; I1443-V1447 WeakPolarHBondContact O-CG2 3.23Å; I1443-V1447 PolarHBondContact O-N 3.13Å; E1444-V1447 PolarHBondContact O-N 2.95Å; V1447-N1449 PolarHBondContact O-N 2.97Å; V1447-K1450 PolarHBondContact O-N 3.21Å; V1447-F1451 HydrophobicContact CG1-CD2 4.1Å; V1447-F1451 HydrophobicContact CG1-CE2 4.34Å; V1447-F1451 VanDerWaalsContact O-CB 3.26Å; V1447-F1451 WeakPolarHBondContact O-CB 3.43Å; V1447-F1451 WeakPolarHBondContact O-CD2 3.49Å; V1447-F1451 PolarHBondContact O-N 3.13Å; V1447-F1451 VanDerWaalsContact O-N 3.08Å |
| 1448 | F | 61.5 | Low | 55.2 | Low | 83.8 Ų | 83.8 | 75.9 Ų | 75.9 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 176 | -167 | -90.7 | 0 | 0 | 0 | 111.8 | I1292 F1293 E1444 E1445 V1446 K1450 F1451 F1452 E1453 | I1292-F1448 HydrophobicContact CD1-CB 4.46Å; I1292-F1448 HydrophobicContact CG2-CB 4.49Å; I1292-F1448 HydrophobicContact CG2-CD2 3.77Å; I1292-F1448 HydrophobicContact CG2-CE2 4.47Å; F1293-F1448 HydrophobicContact CE1-CE2 4.17Å; E1444-F1448 VanDerWaalsContact O-CB 3.24Å; E1444-F1448 WeakPolarHBondContact O-CB 3.32Å; E1444-F1448 PolarHBondContact O-N 3.23Å; E1444-F1448 VanDerWaalsContact O-N 3.12Å; E1445-F1448 PolarHBondContact O-N 2.91Å; V1446-F1448 VanDerWaalsContact C-N 3.31Å; V1446-F1448 PolarHBondContact O-N 3.17Å; F1448-K1450 VanDerWaalsContact C-N 3.32Å; F1448-K1450 PolarHBondContact O-N 3.27Å; F1448-K1450 VanDerWaalsContact O-N 3.16Å; F1448-F1451 WeakPolarHBondContact O-CA 3.2Å; F1448-F1451 VanDerWaalsContact O-CB 3.28Å; F1448-F1451 WeakPolarHBondContact O-CB 3.34Å; F1448-F1451 PolarHBondContact O-N 2.95Å; F1448-F1451 VanDerWaalsContact O-N 3.13Å; F1448-F1452 AromaticContact CD1-CD2 3.87Å; F1448-F1452 HydrophobicContact CD1-CD2 3.92Å; F1448-F1452 AromaticContact CD1-CE2 3.97Å; F1448-F1452 HydrophobicContact CD1-CE2 4.09Å; F1448-F1452 HydrophobicContact CD2-CB 4.07Å; F1448-F1452 AromaticContact CD2-CD2 3.94Å; F1448-F1452 HydrophobicContact CD2-CD2 4.18Å; F1448-F1452 AromaticContact CD2-CE2 3.76Å; F1448-F1452 HydrophobicContact CD2-CE2 3.86Å; F1448-F1452 HydrophobicContact CD2-CG 4.3Å; F1448-F1452 AromaticContact CE1-CD2 3.61Å; F1448-F1452 HydrophobicContact CE1-CD2 3.8Å; F1448-F1452 VanDerWaalsContact CE1-CD2 3.48Å; F1448-F1452 AromaticContact CE1-CE2 3.67Å; F1448-F1452 HydrophobicContact CE1-CE2 3.67Å; F1448-F1452 HydrophobicContact CE1-CG 4.33Å; F1448-F1452 HydrophobicContact CE1-CZ 4.32Å; F1448-F1452 HydrophobicContact CE2-CB 3.93Å; F1448-F1452 AromaticContact CE2-CD2 3.96Å; F1448-F1452 HydrophobicContact CE2-CD2 4.18Å; F1448-F1452 AromaticContact CE2-CE2 3.36Å; F1448-F1452 HydrophobicContact CE2-CE2 3.36Å; F1448-F1452 HydrophobicContact CE2-CG 4.41Å; F1448-F1452 AromaticContact CE2-CZ 3.93Å; F1448-F1452 HydrophobicContact CE2-CZ 4.21Å; F1448-F1452 HydrophobicContact CG-CD2 4.18Å; F1448-F1452 HydrophobicContact CG-CE2 4.23Å; F1448-F1452 HydrophobicContact CZ-CB 4.38Å; F1448-F1452 AromaticContact CZ-CD2 3.74Å; F1448-F1452 HydrophobicContact CZ-CD2 3.74Å; F1448-F1452 AromaticContact CZ-CE2 3.22Å; F1448-F1452 HydrophobicContact CZ-CE2 3.22Å; F1448-F1452 AromaticContact CZ-CZ 3.81Å; F1448-F1452 HydrophobicContact CZ-CZ 3.95Å; F1448-F1452 WeakPolarHBondContact O-CA 2.84Å; F1448-F1452 WeakPolarHBondContact O-CB 3.31Å; F1448-F1452 VanDerWaalsContact O-CD2 3.29Å; F1448-F1452 WeakPolarHBondContact O-CD2 3.31Å; F1448-F1452 PolarHBondContact O-N 3.2Å; F1448-F1452 VanDerWaalsContact O-N 3.11Å; F1448-E1453 HydrophobicContact CD1-CG 4.25Å; F1448-E1453 HydrophobicContact CE1-CG 3.82Å; F1448-E1453 PolarHBondContact O-N 3.21Å |
| 1449 | N | 60.2 | Low | 54.1 | Low | 84.4 Ų | 84.4 | 81.7 Ų | 81.7 | 45% | 0.451 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | -179.2 | -72.3 | -23.1 | 0 | 0 | 0 | 111.9 | E1445 V1446 V1447 F1452 E1453 N1454 | E1445-N1449 VanDerWaalsContact O-CB 3.28Å; E1445-N1449 WeakPolarHBondContact O-CB 3.3Å; E1445-N1449 PolarHBondContact O-N 3.14Å; E1445-N1449 PolarHBondContact O-ND2 3.21Å; E1445-N1449 VanDerWaalsContact O-ND2 3.16Å; E1445-N1449 PolarHBondContact O-OD1 3.24Å; V1446-N1449 PolarHBondContact O-N 3.4Å; V1447-N1449 PolarHBondContact O-N 2.97Å; N1449-F1452 CarbonylContact O-C 3.38Å; N1449-F1452 PolarHBondContact O-N 3.34Å; N1449-E1453 WeakPolarHBondContact O-CB 3.35Å; N1449-E1453 WeakPolarHBondContact O-CG 3.43Å; N1449-E1453 PolarHBondContact O-N 3.05Å; N1449-E1453 PolarHBondContact OD1-OE2 3.25Å; N1449-N1454 PolarHBondContact O-N 2.98Å; N1449-N1454 PolarHBondContact O-ND2 3.18Å |
| 1450 | K | 59.5 | Low | 53.6 | Low | 64.2 Ų | 64.2 | 88.4 Ų | 88.4 | 28% | 0.279 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 178 | -134 | 169.9 | -175.6 | 149.4 | 0 | 113.7 | D1265 D1269 I1272 V1446 V1447 F1448 F1452 E1453 N1454 | D1265-K1450 PolarHBondContact O-NZ 3.28Å; D1269-K1450 HydrophobicContact CB-CD 4.24Å; D1269-K1450 VanDerWaalsContact CG-CE 3.47Å; D1269-K1450 WeakPolarHBondContact OD1-CD 3.1Å; D1269-K1450 VanDerWaalsContact OD1-CE 3.3Å; D1269-K1450 WeakPolarHBondContact OD1-CE 2.97Å; D1269-K1450 IonicContact OD1-NZ 3.42Å; D1269-K1450 PolarHBondContact OD1-NZ 3.29Å; D1269-K1450 WeakPolarHBondContact OD2-CE 3.34Å; D1269-K1450 IonicContact OD2-NZ 3.28Å; D1269-K1450 PolarHBondContact OD2-NZ 3.1Å; I1272-K1450 HydrophobicContact CD1-CD 4.35Å; V1446-K1450 VanDerWaalsContact O-CB 3.29Å; V1446-K1450 WeakPolarHBondContact O-CB 3.45Å; V1446-K1450 WeakPolarHBondContact O-CG 3.38Å; V1446-K1450 PolarHBondContact O-N 3.07Å; V1446-K1450 VanDerWaalsContact O-N 3.14Å; V1447-K1450 PolarHBondContact O-N 3.21Å; F1448-K1450 VanDerWaalsContact C-N 3.32Å; F1448-K1450 PolarHBondContact O-N 3.27Å; F1448-K1450 VanDerWaalsContact O-N 3.16Å; K1450-F1452 PolarHBondContact O-N 3.28Å; K1450-E1453 PolarHBondContact O-N 3.16Å; K1450-N1454 WeakPolarHBondContact CE-ND2 3.33Å; K1450-N1454 WeakPolarHBondContact CE-OD1 3.28Å; K1450-N1454 WeakPolarHBondContact O-CB 3.39Å; K1450-N1454 PolarHBondContact O-N 3.15Å |
| 1451 | F | 57.5 | Low | 53.3 | Low | 38.6 Ų | 38.6 | 89 Ų | 89 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.4 | -32.6 | 178.6 | -149.1 | -84 | 0 | 0 | 0 | 112 | I1272 I1285 L1288 A1289 I1292 F1293 V1447 F1448 H1455 Y1458 F1465 | I1272-F1451 HydrophobicContact CD1-CE2 3.36Å; I1272-F1451 HydrophobicContact CD1-CZ 3.53Å; I1272-F1451 HydrophobicContact CG2-CZ 3.91Å; I1285-F1451 HydrophobicContact CB-CE2 4.47Å; I1285-F1451 HydrophobicContact CD1-CD1 4.39Å; I1285-F1451 HydrophobicContact CG1-CD1 4.06Å; I1285-F1451 HydrophobicContact CG1-CE1 4.18Å; I1285-F1451 HydrophobicContact CG2-CD2 4.31Å; I1285-F1451 HydrophobicContact CG2-CE2 3.48Å; I1285-F1451 VanDerWaalsContact CG2-CE2 3.44Å; I1285-F1451 HydrophobicContact CG2-CZ 4.14Å; L1288-F1451 HydrophobicContact CD1-CE2 4.46Å; A1289-F1451 HydrophobicContact CB-CE2 3.83Å; A1289-F1451 HydrophobicContact CB-CZ 3.95Å; I1292-F1451 HydrophobicContact CD1-CB 4.41Å; I1292-F1451 HydrophobicContact CD1-CG 4.48Å; F1293-F1451 HydrophobicContact CE2-CE1 4.3Å; F1293-F1451 HydrophobicContact CE2-CZ 4.49Å; F1293-F1451 HydrophobicContact CZ-CE1 4.32Å; V1447-F1451 HydrophobicContact CG1-CD2 4.1Å; V1447-F1451 HydrophobicContact CG1-CE2 4.34Å; V1447-F1451 VanDerWaalsContact O-CB 3.26Å; V1447-F1451 WeakPolarHBondContact O-CB 3.43Å; V1447-F1451 WeakPolarHBondContact O-CD2 3.49Å; V1447-F1451 PolarHBondContact O-N 3.13Å; V1447-F1451 VanDerWaalsContact O-N 3.08Å; F1448-F1451 WeakPolarHBondContact O-CA 3.2Å; F1448-F1451 VanDerWaalsContact O-CB 3.28Å; F1448-F1451 WeakPolarHBondContact O-CB 3.34Å; F1448-F1451 PolarHBondContact O-N 2.95Å; F1448-F1451 VanDerWaalsContact O-N 3.13Å; F1451-H1455 PolarHBondContact O-CD2 2.96Å; F1451-Y1458 AromaticContact CD1-CE2 3.98Å; F1451-Y1458 HydrophobicContact CD1-CE2 3.98Å; F1451-Y1458 AromaticContact CD1-CZ 3.96Å; F1451-Y1458 HydrophobicContact CE1-CE2 4.32Å; F1451-Y1458 AromaticContact CE1-CZ 3.87Å; F1451-Y1458 VanDerWaalsContact CE1-OH 3.27Å; F1451-Y1458 WeakPolarHBondContact CE1-OH 3.44Å; F1451-F1465 HydrophobicContact CE2-CE1 4.19Å; F1451-F1465 AromaticContact CZ-CD1 3.93Å; F1451-F1465 HydrophobicContact CZ-CD1 4.04Å; F1451-F1465 AromaticContact CZ-CE1 3.71Å; F1451-F1465 HydrophobicContact CZ-CE1 3.71Å |
| 1452 | F | 57.4 | Low | 52.9 | Low | 77.8 Ų | 77.8 | 88.8 Ų | 88.8 | 34% | 0.341 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -92.1 | -29.4 | -179.7 | -75.4 | -83.3 | 0 | 0 | 0 | 114.6 | A1289 I1292 F1293 F1448 N1449 K1450 E1462 F1465 N1466 | A1289-F1452 HydrophobicContact CB-CE1 4.1Å; A1289-F1452 HydrophobicContact CB-CZ 3.7Å; I1292-F1452 HydrophobicContact CD1-CD2 4.38Å; I1292-F1452 HydrophobicContact CD1-CE2 3.8Å; F1293-F1452 HydrophobicContact CE2-CD1 4.07Å; F1293-F1452 AromaticContact CE2-CE1 3.68Å; F1293-F1452 HydrophobicContact CE2-CE1 3.68Å; F1293-F1452 HydrophobicContact CE2-CZ 4.04Å; F1293-F1452 AromaticContact CZ-CD1 3.74Å; F1293-F1452 HydrophobicContact CZ-CD1 3.74Å; F1293-F1452 AromaticContact CZ-CE1 3.85Å; F1293-F1452 HydrophobicContact CZ-CE1 3.85Å; F1293-F1452 HydrophobicContact CZ-CE2 4.43Å; F1293-F1452 HydrophobicContact CZ-CG 4.11Å; F1293-F1452 HydrophobicContact CZ-CZ 4.26Å; F1448-F1452 AromaticContact CD1-CD2 3.87Å; F1448-F1452 HydrophobicContact CD1-CD2 3.92Å; F1448-F1452 AromaticContact CD1-CE2 3.97Å; F1448-F1452 HydrophobicContact CD1-CE2 4.09Å; F1448-F1452 HydrophobicContact CD2-CB 4.07Å; F1448-F1452 AromaticContact CD2-CD2 3.94Å; F1448-F1452 HydrophobicContact CD2-CD2 4.18Å; F1448-F1452 AromaticContact CD2-CE2 3.76Å; F1448-F1452 HydrophobicContact CD2-CE2 3.86Å; F1448-F1452 HydrophobicContact CD2-CG 4.3Å; F1448-F1452 AromaticContact CE1-CD2 3.61Å; F1448-F1452 HydrophobicContact CE1-CD2 3.8Å; F1448-F1452 VanDerWaalsContact CE1-CD2 3.48Å; F1448-F1452 AromaticContact CE1-CE2 3.67Å; F1448-F1452 HydrophobicContact CE1-CE2 3.67Å; F1448-F1452 HydrophobicContact CE1-CG 4.33Å; F1448-F1452 HydrophobicContact CE1-CZ 4.32Å; F1448-F1452 HydrophobicContact CE2-CB 3.93Å; F1448-F1452 AromaticContact CE2-CD2 3.96Å; F1448-F1452 HydrophobicContact CE2-CD2 4.18Å; F1448-F1452 AromaticContact CE2-CE2 3.36Å; F1448-F1452 HydrophobicContact CE2-CE2 3.36Å; F1448-F1452 HydrophobicContact CE2-CG 4.41Å; F1448-F1452 AromaticContact CE2-CZ 3.93Å; F1448-F1452 HydrophobicContact CE2-CZ 4.21Å; F1448-F1452 HydrophobicContact CG-CD2 4.18Å; F1448-F1452 HydrophobicContact CG-CE2 4.23Å; F1448-F1452 HydrophobicContact CZ-CB 4.38Å; F1448-F1452 AromaticContact CZ-CD2 3.74Å; F1448-F1452 HydrophobicContact CZ-CD2 3.74Å; F1448-F1452 AromaticContact CZ-CE2 3.22Å; F1448-F1452 HydrophobicContact CZ-CE2 3.22Å; F1448-F1452 AromaticContact CZ-CZ 3.81Å; F1448-F1452 HydrophobicContact CZ-CZ 3.95Å; F1448-F1452 WeakPolarHBondContact O-CA 2.84Å; F1448-F1452 WeakPolarHBondContact O-CB 3.31Å; F1448-F1452 VanDerWaalsContact O-CD2 3.29Å; F1448-F1452 WeakPolarHBondContact O-CD2 3.31Å; F1448-F1452 PolarHBondContact O-N 3.2Å; F1448-F1452 VanDerWaalsContact O-N 3.11Å; N1449-F1452 CarbonylContact O-C 3.38Å; N1449-F1452 PolarHBondContact O-N 3.34Å; K1450-F1452 PolarHBondContact O-N 3.28Å; F1452-E1462 WeakPolarHBondContact CD1-OE1 3.41Å; F1452-E1462 WeakPolarHBondContact CE1-OE1 3.15Å; F1452-F1465 HydrophobicContact CE1-CD1 4.32Å; F1452-F1465 HydrophobicContact CE1-CE1 4.12Å; F1452-N1466 VanDerWaalsContact CD1-OD1 3.22Å; F1452-N1466 WeakPolarHBondContact CD1-OD1 3.45Å; F1452-N1466 WeakPolarHBondContact CE1-OD1 3.34Å |
| 1453 | E | 55.1 | Low | 52.7 | Low | 146.4 Ų | 146.4 | 92.6 Ų | 92.6 | 68% | 0.684 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.5 | -36.7 | 179.1 | -77.8 | -170.3 | 157.5 | 0 | 0 | 113.7 | F1448 N1449 K1450 H1455 | F1448-E1453 HydrophobicContact CD1-CG 4.25Å; F1448-E1453 HydrophobicContact CE1-CG 3.82Å; F1448-E1453 PolarHBondContact O-N 3.21Å; N1449-E1453 WeakPolarHBondContact O-CB 3.35Å; N1449-E1453 WeakPolarHBondContact O-CG 3.43Å; N1449-E1453 PolarHBondContact O-N 3.05Å; N1449-E1453 PolarHBondContact OD1-OE2 3.25Å; K1450-E1453 PolarHBondContact O-N 3.16Å; E1453-H1455 VanDerWaalsContact C-N 3.26Å; E1453-H1455 PolarHBondContact O-N 2.93Å |
| 1454 | N | 50.3 | Low | 52.6 | Low | 93.4 Ų | 93.4 | 95 Ų | 95 | 50% | 0.499 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -85.3 | -0.5 | -171.9 | -81.1 | -21 | 0 | 0 | 0 | 114.3 | N1449 K1450 G1456 | N1449-N1454 PolarHBondContact O-N 2.98Å; N1449-N1454 PolarHBondContact O-ND2 3.18Å; K1450-N1454 WeakPolarHBondContact CE-ND2 3.33Å; K1450-N1454 WeakPolarHBondContact CE-OD1 3.28Å; K1450-N1454 WeakPolarHBondContact O-CB 3.39Å; K1450-N1454 PolarHBondContact O-N 3.15Å; N1454-G1456 PolarHBondContact O-N 3.09Å |
| 1455 | H | 49.1 | Very low | 52.8 | Low | 94.4 Ų | 94.4 | 94.8 Ų | 94.8 | 44% | 0.437 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 25.2 | -172.6 | -66.6 | -51.1 | 0 | 0 | 0 | 116.1 | E1276 I1285 F1451 E1453 N1457 Y1458 E1462 | E1276-H1455 IonicContact OE1-CE1 2.97Å; I1285-H1455 VanDerWaalsContact CD1-CE1 3.47Å; I1285-H1455 WeakPolarHBondContact CD1-CE1 3.11Å; I1285-H1455 WeakPolarHBondContact CG1-NE2 3.42Å; F1451-H1455 PolarHBondContact O-CD2 2.96Å; E1453-H1455 VanDerWaalsContact C-N 3.26Å; E1453-H1455 PolarHBondContact O-N 2.93Å; H1455-N1457 PolarHBondContact O-N 3.09Å; H1455-Y1458 PolarHBondContact O-N 3.15Å; H1455-Y1458 VanDerWaalsContact O-N 3.16Å; H1455-E1462 IonicContact CE1-OE2 3.25Å; H1455-E1462 IonicContact CG-OE2 3.97Å; H1455-E1462 IonicContact ND1-OE2 2.55Å; H1455-E1462 PolarHBondContact ND1-OE2 3.19Å |
| 1456 | G | 43.4 | Very low | 53 | Low | 51.2 Ų | 51.2 | 91.7 Ų | 91.7 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | N1454 Y1458 M1459 E1462 | N1454-G1456 PolarHBondContact O-N 3.09Å; G1456-Y1458 PolarHBondContact O-N 3.26Å; G1456-M1459 WeakPolarHBondContact O-CG 3.24Å; G1456-M1459 PolarHBondContact O-N 2.93Å; G1456-E1462 VanDerWaalsContact CA-OE1 3.3Å; G1456-E1462 WeakPolarHBondContact CA-OE1 3.47Å |
| 1457 | N | 42.9 | Very low | 53.2 | Low | 157.4 Ų | 157.4 | 90.9 Ų | 90.9 | 84% | 0.842 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -102.6 | -3.9 | -174.9 | -78.5 | -23.4 | 0 | 0 | 0 | 115.9 | H1455 M1459 | H1455-N1457 PolarHBondContact O-N 3.09Å; N1457-M1459 PolarHBondContact O-N 2.9Å |
| 1458 | Y | 40.2 | Very low | 53.4 | Low | 151.8 Ų | 151.8 | 92.5 Ų | 92.5 | 60% | 0.595 | 46% | 0.455 | S | S | * | . | trans | -105.2 | 80.7 | 177.5 | -83.9 | -78.6 | 0 | 0 | 0 | 111.6 | I1285 F1451 H1455 G1456 Y1460 S1461 E1462 | I1285-Y1458 HydrophobicContact CD1-CD1 3.98Å; I1285-Y1458 HydrophobicContact CD1-CE1 3.92Å; F1451-Y1458 AromaticContact CD1-CE2 3.98Å; F1451-Y1458 HydrophobicContact CD1-CE2 3.98Å; F1451-Y1458 AromaticContact CD1-CZ 3.96Å; F1451-Y1458 HydrophobicContact CE1-CE2 4.32Å; F1451-Y1458 AromaticContact CE1-CZ 3.87Å; F1451-Y1458 VanDerWaalsContact CE1-OH 3.27Å; F1451-Y1458 WeakPolarHBondContact CE1-OH 3.44Å; H1455-Y1458 PolarHBondContact O-N 3.15Å; H1455-Y1458 VanDerWaalsContact O-N 3.16Å; G1456-Y1458 PolarHBondContact O-N 3.26Å; Y1458-Y1460 VanDerWaalsContact C-N 3.35Å; Y1458-Y1460 PolarHBondContact O-N 3.24Å; Y1458-S1461 VanDerWaalsContact CB-OG 3.26Å; Y1458-S1461 WeakPolarHBondContact CB-OG 3.2Å; Y1458-S1461 WeakPolarHBondContact CD1-OG 3.42Å; Y1458-S1461 CarbonylContact O-C 3.56Å; Y1458-S1461 WeakPolarHBondContact O-CA 3.36Å; Y1458-S1461 PolarHBondContact O-N 2.73Å; Y1458-S1461 PolarHBondContact O-OG 3.31Å; Y1458-E1462 PolarHBondContact O-N 3.3Å; Y1458-E1462 VanDerWaalsContact O-N 3.08Å | ||
| 1459 | M | 35.5 | Very low | 53.8 | Low | 172 Ų | 172 | 89.2 Ų | 89.2 | 85% | 0.847 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -59.8 | -0.2 | -178.2 | -101 | -160.6 | 139.5 | 0 | 0 | 114.3 | G1456 N1457 | G1456-M1459 WeakPolarHBondContact O-CG 3.24Å; G1456-M1459 PolarHBondContact O-N 2.93Å; N1457-M1459 PolarHBondContact O-N 2.9Å |
| 1460 | Y | 40.7 | Very low | 54.3 | Low | 200.2 Ų | 200.2 | 85.6 Ų | 85.6 | 79% | 0.785 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -97.8 | 60.9 | 167.9 | -84.8 | -82.8 | 0 | 0 | 0 | 110.7 | Y1458 E1462 | Y1458-Y1460 VanDerWaalsContact C-N 3.35Å; Y1458-Y1460 PolarHBondContact O-N 3.24Å; Y1460-E1462 PolarHBondContact O-N 3.27Å |
| 1461 | S | 48.9 | Very low | 54.8 | Low | 56.8 Ų | 56.8 | 85.6 Ų | 85.6 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | trans | -56.2 | 73.6 | 176 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | Y1458 Y1463 T1464 F1465 | Y1458-S1461 VanDerWaalsContact CB-OG 3.26Å; Y1458-S1461 WeakPolarHBondContact CB-OG 3.2Å; Y1458-S1461 WeakPolarHBondContact CD1-OG 3.42Å; Y1458-S1461 CarbonylContact O-C 3.56Å; Y1458-S1461 WeakPolarHBondContact O-CA 3.36Å; Y1458-S1461 PolarHBondContact O-N 2.73Å; Y1458-S1461 PolarHBondContact O-OG 3.31Å; S1461-Y1463 CarbonylContact O-C 3.55Å; S1461-Y1463 PolarHBondContact O-N 3.01Å; S1461-T1464 VanDerWaalsContact CA-OG1 3.29Å; S1461-T1464 WeakPolarHBondContact CA-OG1 3.1Å; S1461-T1464 WeakPolarHBondContact CB-OG1 3.35Å; S1461-T1464 CarbonylContact O-C 3.48Å; S1461-T1464 PolarHBondContact O-N 3.09Å; S1461-T1464 VanDerWaalsContact O-N 3.12Å; S1461-T1464 PolarHBondContact O-OG1 3.14Å; S1461-T1464 WeakPolarHBondContact OG-CG2 3.31Å; S1461-T1464 PolarHBondContact OG-OG1 3.2Å; S1461-F1465 WeakPolarHBondContact O-CB 3.43Å; S1461-F1465 PolarHBondContact O-N 3.32Å | ||
| 1462 | E | 49.4 | Very low | 55.3 | Low | 85.2 Ų | 85.2 | 84.8 Ų | 84.8 | 40% | 0.398 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -51.8 | -38.3 | 174.8 | -88.3 | 173.4 | 164 | 0 | 0 | 112.3 | F1452 H1455 G1456 Y1458 Y1460 T1464 F1465 N1466 | F1452-E1462 WeakPolarHBondContact CD1-OE1 3.41Å; F1452-E1462 WeakPolarHBondContact CE1-OE1 3.15Å; H1455-E1462 IonicContact CE1-OE2 3.25Å; H1455-E1462 IonicContact CG-OE2 3.97Å; H1455-E1462 IonicContact ND1-OE2 2.55Å; H1455-E1462 PolarHBondContact ND1-OE2 3.19Å; G1456-E1462 VanDerWaalsContact CA-OE1 3.3Å; G1456-E1462 WeakPolarHBondContact CA-OE1 3.47Å; Y1458-E1462 PolarHBondContact O-N 3.3Å; Y1458-E1462 VanDerWaalsContact O-N 3.08Å; Y1460-E1462 PolarHBondContact O-N 3.27Å; E1462-T1464 VanDerWaalsContact C-N 3.31Å; E1462-T1464 PolarHBondContact O-N 3.24Å; E1462-F1465 PolarHBondContact O-N 3.15Å; E1462-F1465 VanDerWaalsContact O-N 3.17Å; E1462-N1466 WeakPolarHBondContact O-CB 3.31Å; E1462-N1466 PolarHBondContact O-N 3.22Å |
| 1463 | Y | 53 | Low | 56 | Low | 134.8 Ų | 134.8 | 81.6 Ų | 81.6 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.6 | -152.8 | -95 | 0 | 0 | 0 | 112.9 | S1461 F1465 T1467 D1491 K1534 | S1461-Y1463 CarbonylContact O-C 3.55Å; S1461-Y1463 PolarHBondContact O-N 3.01Å; Y1463-F1465 VanDerWaalsContact C-N 3.34Å; Y1463-F1465 PolarHBondContact O-N 3.26Å; Y1463-T1467 HydrophobicContact CD1-CG2 4.25Å; Y1463-T1467 HydrophobicContact CD2-CG2 4.32Å; Y1463-T1467 HydrophobicContact CE1-CG2 4.03Å; Y1463-T1467 HydrophobicContact CE2-CG2 4Å; Y1463-T1467 HydrophobicContact CG-CG2 4.44Å; Y1463-T1467 VanDerWaalsContact O-CB 3.29Å; Y1463-T1467 WeakPolarHBondContact O-CB 3.23Å; Y1463-T1467 WeakPolarHBondContact O-CG2 3.3Å; Y1463-T1467 PolarHBondContact O-N 3.21Å; Y1463-T1467 VanDerWaalsContact O-N 3.09Å; Y1463-T1467 PolarHBondContact O-OG1 3.13Å; Y1463-D1491 HydrophobicContact CE1-CB 4.45Å; Y1463-D1491 WeakPolarHBondContact OH-CB 3.34Å; Y1463-D1491 PolarHBondContact OH-OD2 3.04Å; Y1463-D1491 VanDerWaalsContact OH-OD2 3.11Å; Y1463-K1534 PolarHBondContact OH-NZ 3.31Å |
| 1464 | T | 58.8 | Low | 56.6 | Low | 71.2 Ų | 71.2 | 74.6 Ų | 74.6 | 44% | 0.437 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.5 | -33.1 | -179.5 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | S1461 E1462 T1467 T1468 | S1461-T1464 VanDerWaalsContact CA-OG1 3.29Å; S1461-T1464 WeakPolarHBondContact CA-OG1 3.1Å; S1461-T1464 WeakPolarHBondContact CB-OG1 3.35Å; S1461-T1464 CarbonylContact O-C 3.48Å; S1461-T1464 PolarHBondContact O-N 3.09Å; S1461-T1464 VanDerWaalsContact O-N 3.12Å; S1461-T1464 PolarHBondContact O-OG1 3.14Å; S1461-T1464 WeakPolarHBondContact OG-CG2 3.31Å; S1461-T1464 PolarHBondContact OG-OG1 3.2Å; E1462-T1464 VanDerWaalsContact C-N 3.31Å; E1462-T1464 PolarHBondContact O-N 3.24Å; T1464-T1467 WeakPolarHBondContact CA-OG1 3.38Å; T1464-T1467 PolarHBondContact O-OG1 3.16Å; T1464-T1467 VanDerWaalsContact O-OG1 3.07Å; T1464-T1468 VanDerWaalsContact O-CB 3.32Å; T1464-T1468 WeakPolarHBondContact O-CB 3.42Å; T1464-T1468 VanDerWaalsContact O-CG2 3.3Å; T1464-T1468 WeakPolarHBondContact O-CG2 3.26Å; T1464-T1468 PolarHBondContact O-N 3.12Å; T1464-T1468 VanDerWaalsContact O-N 3.12Å; T1464-T1468 PolarHBondContact O-OG1 3.19Å; T1464-T1468 VanDerWaalsContact O-OG1 3.06Å |
| 1465 | F | 62 | Low | 57.3 | Low | 56.4 Ų | 56.4 | 72 Ų | 72 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.2 | -48.7 | 179.9 | -171.4 | -97.8 | 0 | 0 | 0 | 111.5 | I1285 A1286 A1289 W1310 F1451 F1452 S1461 E1462 Y1463 T1467 T1468 I1469 | I1285-F1465 HydrophobicContact CB-CZ 4.45Å; I1285-F1465 HydrophobicContact CG2-CE1 3.67Å; I1285-F1465 HydrophobicContact CG2-CE2 4.41Å; I1285-F1465 HydrophobicContact CG2-CZ 3.62Å; A1286-F1465 HydrophobicContact CB-CZ 4.35Å; A1289-F1465 HydrophobicContact CB-CE1 4.16Å; A1289-F1465 HydrophobicContact CB-CZ 4.32Å; W1310-F1465 HydrophobicContact CZ2-CE2 4.09Å; W1310-F1465 AromaticContact NE1-CE2 3.77Å; F1451-F1465 HydrophobicContact CE2-CE1 4.19Å; F1451-F1465 AromaticContact CZ-CD1 3.93Å; F1451-F1465 HydrophobicContact CZ-CD1 4.04Å; F1451-F1465 AromaticContact CZ-CE1 3.71Å; F1451-F1465 HydrophobicContact CZ-CE1 3.71Å; F1452-F1465 HydrophobicContact CE1-CD1 4.32Å; F1452-F1465 HydrophobicContact CE1-CE1 4.12Å; S1461-F1465 WeakPolarHBondContact O-CB 3.43Å; S1461-F1465 PolarHBondContact O-N 3.32Å; E1462-F1465 PolarHBondContact O-N 3.15Å; E1462-F1465 VanDerWaalsContact O-N 3.17Å; Y1463-F1465 VanDerWaalsContact C-N 3.34Å; Y1463-F1465 PolarHBondContact O-N 3.26Å; F1465-T1467 VanDerWaalsContact C-N 3.33Å; F1465-T1467 PolarHBondContact O-N 3.08Å; F1465-T1468 WeakPolarHBondContact CA-OG1 3.38Å; F1465-T1468 PolarHBondContact O-N 3.23Å; F1465-T1468 VanDerWaalsContact O-N 3.11Å; F1465-T1468 PolarHBondContact O-OG1 2.95Å; F1465-I1469 HydrophobicContact CD1-CD1 3.75Å; F1465-I1469 HydrophobicContact CD1-CG1 4.22Å; F1465-I1469 HydrophobicContact CE1-CD1 3.49Å; F1465-I1469 HydrophobicContact CE1-CG1 4.12Å; F1465-I1469 HydrophobicContact CE2-CD1 4.37Å; F1465-I1469 HydrophobicContact CE2-CG1 4.47Å; F1465-I1469 HydrophobicContact CG-CD1 4.25Å; F1465-I1469 HydrophobicContact CZ-CD1 3.64Å; F1465-I1469 VanDerWaalsContact CZ-CD1 3.5Å; F1465-I1469 HydrophobicContact CZ-CG1 4.25Å; F1465-I1469 WeakPolarHBondContact O-CG1 3.29Å; F1465-I1469 PolarHBondContact O-N 2.9Å; F1465-I1469 VanDerWaalsContact O-N 3.14Å |
| 1466 | N | 64.5 | Low | 58.1 | Low | 47.6 Ų | 47.6 | 69.8 Ų | 69.8 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.9 | -108.1 | -4.7 | 0 | 0 | 0 | 111.5 | F1293 F1452 E1462 T1468 I1469 H1470 | F1293-N1466 WeakPolarHBondContact CZ-OD1 3.41Å; F1452-N1466 VanDerWaalsContact CD1-OD1 3.22Å; F1452-N1466 WeakPolarHBondContact CD1-OD1 3.45Å; F1452-N1466 WeakPolarHBondContact CE1-OD1 3.34Å; E1462-N1466 WeakPolarHBondContact O-CB 3.31Å; E1462-N1466 PolarHBondContact O-N 3.22Å; N1466-T1468 VanDerWaalsContact C-N 3.32Å; N1466-T1468 PolarHBondContact O-N 3.18Å; N1466-I1469 PolarHBondContact O-N 3.17Å; N1466-H1470 WeakPolarHBondContact O-CB 3.08Å; N1466-H1470 PolarHBondContact O-CD2 3.11Å; N1466-H1470 VanDerWaalsContact O-CD2 3.27Å; N1466-H1470 PolarHBondContact O-N 3.04Å; N1466-H1470 PolarHBondContact O-ND1 3.36Å; N1466-H1470 PolarHBondContact OD1-CD2 2.91Å; N1466-H1470 PolarHBondContact OD1-NE2 2.87Å |
| 1467 | T | 65.3 | Low | 59.1 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 176 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | Y1463 T1464 F1465 K1471 A1490 | Y1463-T1467 HydrophobicContact CD1-CG2 4.25Å; Y1463-T1467 HydrophobicContact CD2-CG2 4.32Å; Y1463-T1467 HydrophobicContact CE1-CG2 4.03Å; Y1463-T1467 HydrophobicContact CE2-CG2 4Å; Y1463-T1467 HydrophobicContact CG-CG2 4.44Å; Y1463-T1467 VanDerWaalsContact O-CB 3.29Å; Y1463-T1467 WeakPolarHBondContact O-CB 3.23Å; Y1463-T1467 WeakPolarHBondContact O-CG2 3.3Å; Y1463-T1467 PolarHBondContact O-N 3.21Å; Y1463-T1467 VanDerWaalsContact O-N 3.09Å; Y1463-T1467 PolarHBondContact O-OG1 3.13Å; T1464-T1467 WeakPolarHBondContact CA-OG1 3.38Å; T1464-T1467 PolarHBondContact O-OG1 3.16Å; T1464-T1467 VanDerWaalsContact O-OG1 3.07Å; F1465-T1467 VanDerWaalsContact C-N 3.33Å; F1465-T1467 PolarHBondContact O-N 3.08Å; T1467-K1471 WeakPolarHBondContact O-CB 3.31Å; T1467-K1471 WeakPolarHBondContact O-CG 3.36Å; T1467-K1471 PolarHBondContact O-N 3.19Å; T1467-A1490 WeakPolarHBondContact CG2-O 3.16Å |
| 1468 | T | 65 | Low | 60.1 | Low | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 174.9 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | T1464 F1465 N1466 K1471 I1472 | T1464-T1468 VanDerWaalsContact O-CB 3.32Å; T1464-T1468 WeakPolarHBondContact O-CB 3.42Å; T1464-T1468 VanDerWaalsContact O-CG2 3.3Å; T1464-T1468 WeakPolarHBondContact O-CG2 3.26Å; T1464-T1468 PolarHBondContact O-N 3.12Å; T1464-T1468 VanDerWaalsContact O-N 3.12Å; T1464-T1468 PolarHBondContact O-OG1 3.19Å; T1464-T1468 VanDerWaalsContact O-OG1 3.06Å; F1465-T1468 WeakPolarHBondContact CA-OG1 3.38Å; F1465-T1468 PolarHBondContact O-N 3.23Å; F1465-T1468 VanDerWaalsContact O-N 3.11Å; F1465-T1468 PolarHBondContact O-OG1 2.95Å; N1466-T1468 VanDerWaalsContact C-N 3.32Å; N1466-T1468 PolarHBondContact O-N 3.18Å; T1468-K1471 WeakPolarHBondContact O-CB 3.45Å; T1468-K1471 PolarHBondContact O-N 3.2Å; T1468-I1472 WeakPolarHBondContact O-CD1 3.45Å; T1468-I1472 VanDerWaalsContact O-CG1 3.28Å; T1468-I1472 WeakPolarHBondContact O-CG1 3.36Å; T1468-I1472 PolarHBondContact O-N 3.12Å |
| 1469 | I | 70.5 | Confident | 61.3 | Low | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 176 | -70.4 | -174.8 | 0 | 0 | 0 | 111.1 | A1286 A1289 F1290 F1293 W1310 F1465 N1466 K1471 I1472 L1473 | A1286-I1469 HydrophobicContact CB-CD1 4.36Å; A1289-I1469 HydrophobicContact CB-CD1 3.62Å; A1289-I1469 HydrophobicContact CB-CG1 4.2Å; A1289-I1469 HydrophobicContact CB-CG2 4.21Å; F1290-I1469 HydrophobicContact CD1-CD1 4.37Å; F1290-I1469 HydrophobicContact CD1-CG2 3.82Å; F1290-I1469 HydrophobicContact CD2-CD1 4.38Å; F1290-I1469 HydrophobicContact CE1-CB 4.45Å; F1290-I1469 HydrophobicContact CE1-CD1 3.86Å; F1290-I1469 HydrophobicContact CE1-CG1 4.43Å; F1290-I1469 HydrophobicContact CE1-CG2 3.8Å; F1290-I1469 HydrophobicContact CE2-CD1 3.85Å; F1290-I1469 HydrophobicContact CZ-CD1 3.56Å; F1290-I1469 HydrophobicContact CZ-CG1 4.5Å; F1293-I1469 HydrophobicContact CD2-CB 4.45Å; F1293-I1469 HydrophobicContact CD2-CG2 3.85Å; F1293-I1469 HydrophobicContact CE2-CD1 4.46Å; W1310-I1469 HydrophobicContact CG-CD1 4.5Å; F1465-I1469 HydrophobicContact CD1-CD1 3.75Å; F1465-I1469 HydrophobicContact CD1-CG1 4.22Å; F1465-I1469 HydrophobicContact CE1-CD1 3.49Å; F1465-I1469 HydrophobicContact CE1-CG1 4.12Å; F1465-I1469 HydrophobicContact CE2-CD1 4.37Å; F1465-I1469 HydrophobicContact CE2-CG1 4.47Å; F1465-I1469 HydrophobicContact CG-CD1 4.25Å; F1465-I1469 HydrophobicContact CZ-CD1 3.64Å; F1465-I1469 VanDerWaalsContact CZ-CD1 3.5Å; F1465-I1469 HydrophobicContact CZ-CG1 4.25Å; F1465-I1469 WeakPolarHBondContact O-CG1 3.29Å; F1465-I1469 PolarHBondContact O-N 2.9Å; F1465-I1469 VanDerWaalsContact O-N 3.14Å; N1466-I1469 PolarHBondContact O-N 3.17Å; I1469-K1471 VanDerWaalsContact C-N 3.29Å; I1469-K1471 PolarHBondContact O-N 3.15Å; I1469-I1472 PolarHBondContact O-N 3.23Å; I1469-I1472 VanDerWaalsContact O-N 3.14Å; I1469-L1473 HydrophobicContact CG2-CD1 3.96Å; I1469-L1473 HydrophobicContact CG2-CG 4.37Å; I1469-L1473 WeakPolarHBondContact O-CB 3.28Å; I1469-L1473 WeakPolarHBondContact O-CG 3.36Å; I1469-L1473 PolarHBondContact O-N 3.1Å |
| 1470 | H | 72.1 | Confident | 63 | Low | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.2 | -78.8 | -74.3 | 0 | 0 | 0 | 112.2 | F1293 N1466 I1472 L1473 A1474 H1486 Y1489 A1490 | F1293-H1470 AromaticContact CD1-CE1 3.67Å; F1293-H1470 AromaticContact CD1-NE2 3.58Å; F1293-H1470 AromaticContact CE1-NE2 3.88Å; F1293-H1470 AromaticContact CG-CE1 3.8Å; F1293-H1470 AromaticContact CG-NE2 3.93Å; N1466-H1470 WeakPolarHBondContact O-CB 3.08Å; N1466-H1470 PolarHBondContact O-CD2 3.11Å; N1466-H1470 VanDerWaalsContact O-CD2 3.27Å; N1466-H1470 PolarHBondContact O-N 3.04Å; N1466-H1470 PolarHBondContact O-ND1 3.36Å; N1466-H1470 PolarHBondContact OD1-CD2 2.91Å; N1466-H1470 PolarHBondContact OD1-NE2 2.87Å; H1470-I1472 PolarHBondContact O-N 3.29Å; H1470-L1473 PolarHBondContact O-N 3.19Å; H1470-A1474 WeakPolarHBondContact O-CB 3.3Å; H1470-A1474 PolarHBondContact O-N 3.23Å; H1470-H1486 HydrophobicContact CB-CB 4.44Å; H1470-H1486 WeakPolarHBondContact CB-O 3.36Å; H1470-H1486 AromaticContact CE1-ND1 3.7Å; H1470-H1486 AromaticContact ND1-CE1 3.94Å; H1470-H1486 AromaticContact ND1-CG 3.9Å; H1470-H1486 AromaticContact ND1-ND1 3.08Å; H1470-H1486 PolarHBondContact ND1-ND1 3.07Å; H1470-H1486 VanDerWaalsContact ND1-ND1 3.13Å; H1470-H1486 WeakPolarHBondContact O-CB 3.29Å; H1470-Y1489 VanDerWaalsContact CD2-CB 3.44Å; H1470-Y1489 WeakPolarHBondContact CD2-CB 3.08Å; H1470-Y1489 WeakPolarHBondContact CE1-CB 3.44Å; H1470-Y1489 AromaticContact CE1-CD1 3.99Å; H1470-Y1489 AromaticContact CE1-CG 3.72Å; H1470-Y1489 VanDerWaalsContact ND1-CB 3.33Å; H1470-Y1489 WeakPolarHBondContact ND1-CB 3.27Å; H1470-Y1489 WeakPolarHBondContact NE2-CB 3.17Å; H1470-Y1489 AromaticContact NE2-CD1 3.89Å; H1470-Y1489 AromaticContact NE2-CG 3.98Å; H1470-A1490 HydrophobicContact CB-CB 3.91Å |
| 1471 | K | 68.4 | Low | 64.3 | Low | 63.6 Ų | 63.6 | 44.5 Ų | 44.5 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 173 | -92.8 | 172.7 | -171.3 | -172.7 | 0 | 112.3 | W1331 T1467 T1468 I1469 L1473 A1474 I1475 A1490 E1492 | W1331-K1471 HydrophobicContact CH2-CD 4.35Å; W1331-K1471 HydrophobicContact CZ3-CD 4.43Å; T1467-K1471 WeakPolarHBondContact O-CB 3.31Å; T1467-K1471 WeakPolarHBondContact O-CG 3.36Å; T1467-K1471 PolarHBondContact O-N 3.19Å; T1468-K1471 WeakPolarHBondContact O-CB 3.45Å; T1468-K1471 PolarHBondContact O-N 3.2Å; I1469-K1471 VanDerWaalsContact C-N 3.29Å; I1469-K1471 PolarHBondContact O-N 3.15Å; K1471-L1473 PolarHBondContact O-N 3.44Å; K1471-A1474 PolarHBondContact O-N 3.12Å; K1471-I1475 HydrophobicContact CB-CD1 4.21Å; K1471-I1475 HydrophobicContact CG-CD1 4.34Å; K1471-I1475 WeakPolarHBondContact O-CB 3.2Å; K1471-I1475 VanDerWaalsContact O-CD1 3.29Å; K1471-I1475 WeakPolarHBondContact O-CD1 3.35Å; K1471-I1475 VanDerWaalsContact O-CG1 3.24Å; K1471-I1475 WeakPolarHBondContact O-CG1 3.37Å; K1471-I1475 PolarHBondContact O-N 2.97Å; K1471-I1475 VanDerWaalsContact O-N 3.11Å; K1471-A1490 HydrophobicContact CB-CB 4.1Å; K1471-A1490 HydrophobicContact CG-CB 3.83Å; K1471-E1492 HydrophobicContact CD-CG 4.31Å; K1471-E1492 WeakPolarHBondContact CE-OE1 3.35Å; K1471-E1492 HydrophobicContact CG-CG 4.25Å; K1471-E1492 IonicContact NZ-OE1 3.43Å; K1471-E1492 PolarHBondContact NZ-OE1 3.14Å |
| 1472 | I | 68.7 | Low | 65.2 | Low | 21.8 Ų | 21.8 | 42.9 Ų | 42.9 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 178.3 | -66.2 | 163.1 | 0 | 0 | 0 | 110.7 | F1290 L1306 E1309 W1310 I1313 T1468 I1469 H1470 A1474 I1475 V1476 | F1290-I1472 HydrophobicContact CE1-CB 4.18Å; F1290-I1472 HydrophobicContact CE1-CG2 3.94Å; F1290-I1472 HydrophobicContact CZ-CB 4.33Å; F1290-I1472 HydrophobicContact CZ-CD1 4.14Å; F1290-I1472 HydrophobicContact CZ-CG2 3.93Å; L1306-I1472 HydrophobicContact CD2-CG2 3.78Å; E1309-I1472 HydrophobicContact CB-CG2 4.15Å; W1310-I1472 HydrophobicContact CB-CD1 3.87Å; W1310-I1472 HydrophobicContact CG-CD1 4.26Å; I1313-I1472 HydrophobicContact CD1-CD1 3.76Å; I1313-I1472 HydrophobicContact CD1-CG1 3.56Å; I1313-I1472 VanDerWaalsContact CD1-CG1 3.47Å; T1468-I1472 WeakPolarHBondContact O-CD1 3.45Å; T1468-I1472 VanDerWaalsContact O-CG1 3.28Å; T1468-I1472 WeakPolarHBondContact O-CG1 3.36Å; T1468-I1472 PolarHBondContact O-N 3.12Å; I1469-I1472 PolarHBondContact O-N 3.23Å; I1469-I1472 VanDerWaalsContact O-N 3.14Å; H1470-I1472 PolarHBondContact O-N 3.29Å; I1472-A1474 VanDerWaalsContact C-N 3.32Å; I1472-A1474 PolarHBondContact O-N 3.08Å; I1472-I1475 WeakPolarHBondContact O-CB 3.38Å; I1472-I1475 PolarHBondContact O-N 3.03Å; I1472-I1475 VanDerWaalsContact O-N 3.12Å; I1472-V1476 HydrophobicContact CG2-CG2 4.4Å; I1472-V1476 VanDerWaalsContact O-CB 3.29Å; I1472-V1476 WeakPolarHBondContact O-CB 3.44Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.25Å; I1472-V1476 PolarHBondContact O-N 3.22Å; I1472-V1476 VanDerWaalsContact O-N 3.08Å |
| 1473 | L | 71.2 | Confident | 66.3 | Low | 10.8 Ų | 10.8 | 40 Ų | 40 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.4 | -70.9 | 173.3 | 0 | 0 | 0 | 111.3 | F1290 F1293 Y1294 L1306 I1469 H1470 K1471 I1475 V1476 C1477 H1486 L1499 | F1290-L1473 HydrophobicContact CD1-CD1 4.42Å; F1290-L1473 HydrophobicContact CD1-CD2 3.73Å; F1290-L1473 HydrophobicContact CD1-CG 3.98Å; F1290-L1473 HydrophobicContact CE1-CD2 4.19Å; F1290-L1473 HydrophobicContact CE1-CG 4.19Å; F1293-L1473 HydrophobicContact CB-CD1 3.91Å; Y1294-L1473 HydrophobicContact CD2-CD2 3.71Å; Y1294-L1473 HydrophobicContact CE2-CD2 4.34Å; L1306-L1473 HydrophobicContact CD1-CD2 3.68Å; L1306-L1473 HydrophobicContact CD2-CD2 3.81Å; L1306-L1473 HydrophobicContact CG-CD2 4.43Å; I1469-L1473 HydrophobicContact CG2-CD1 3.96Å; I1469-L1473 HydrophobicContact CG2-CG 4.37Å; I1469-L1473 WeakPolarHBondContact O-CB 3.28Å; I1469-L1473 WeakPolarHBondContact O-CG 3.36Å; I1469-L1473 PolarHBondContact O-N 3.1Å; H1470-L1473 PolarHBondContact O-N 3.19Å; K1471-L1473 PolarHBondContact O-N 3.44Å; L1473-I1475 VanDerWaalsContact C-N 3.27Å; L1473-I1475 PolarHBondContact O-N 2.82Å; L1473-I1475 VanDerWaalsContact O-N 3.1Å; L1473-V1476 PolarHBondContact O-N 3.25Å; L1473-V1476 VanDerWaalsContact O-N 3.13Å; L1473-C1477 VanDerWaalsContact O-CB 3.25Å; L1473-C1477 WeakPolarHBondContact O-CB 3.36Å; L1473-C1477 PolarHBondContact O-N 3Å; L1473-C1477 PolarHBondContact O-SG 3.25Å; L1473-H1486 HydrophobicContact CB-CB 4.25Å; L1473-H1486 WeakPolarHBondContact CD1-CE1 3.35Å; L1473-L1499 HydrophobicContact CB-CD2 4.5Å; L1473-L1499 HydrophobicContact CD1-CD2 4.32Å |
| 1474 | A | 68.2 | Low | 67.3 | Low | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -23.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | W1331 H1470 K1471 I1472 K1483 H1486 F1487 M1504 R1508 | W1331-A1474 HydrophobicContact CH2-CB 4.38Å; H1470-A1474 WeakPolarHBondContact O-CB 3.3Å; H1470-A1474 PolarHBondContact O-N 3.23Å; K1471-A1474 PolarHBondContact O-N 3.12Å; I1472-A1474 VanDerWaalsContact C-N 3.32Å; I1472-A1474 PolarHBondContact O-N 3.08Å; A1474-K1483 WeakPolarHBondContact O-CD 3.3Å; A1474-K1483 VanDerWaalsContact O-CG 3.25Å; A1474-K1483 WeakPolarHBondContact O-CG 3.27Å; A1474-H1486 HydrophobicContact CB-CB 3.76Å; A1474-F1487 HydrophobicContact CB-CD1 3.8Å; A1474-F1487 HydrophobicContact CB-CD2 3.88Å; A1474-F1487 HydrophobicContact CB-CE1 3.56Å; A1474-F1487 HydrophobicContact CB-CE2 3.87Å; A1474-F1487 HydrophobicContact CB-CG 4.01Å; A1474-F1487 HydrophobicContact CB-CZ 3.6Å; A1474-F1487 VanDerWaalsContact CB-CZ 3.42Å; A1474-M1504 HydrophobicContact CB-CB 3.92Å; A1474-M1504 HydrophobicContact CB-CG 3.89Å; A1474-R1508 WeakPolarHBondContact O-CD 3.42Å; A1474-R1508 PolarHBondContact O-NH1 3.05Å |
| 1475 | I | 65.3 | Low | 68 | Low | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.195 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.5 | -44.5 | 176.6 | -66.6 | 162.5 | 0 | 0 | 0 | 110.8 | W1331 K1471 I1472 L1473 R1508 F1595 | W1331-I1475 HydrophobicContact CD2-CD1 4.16Å; W1331-I1475 HydrophobicContact CD2-CG1 4.34Å; W1331-I1475 VanDerWaalsContact CE2-CD1 3.41Å; W1331-I1475 HydrophobicContact CG-CG1 4.39Å; W1331-I1475 HydrophobicContact CH2-CD1 4.23Å; W1331-I1475 HydrophobicContact CH2-CG1 3.93Å; W1331-I1475 HydrophobicContact CZ2-CB 4.24Å; W1331-I1475 HydrophobicContact CZ2-CD1 3.67Å; W1331-I1475 VanDerWaalsContact CZ2-CD1 3.45Å; W1331-I1475 HydrophobicContact CZ2-CG1 4.02Å; K1471-I1475 HydrophobicContact CB-CD1 4.21Å; K1471-I1475 HydrophobicContact CG-CD1 4.34Å; K1471-I1475 WeakPolarHBondContact O-CB 3.2Å; K1471-I1475 VanDerWaalsContact O-CD1 3.29Å; K1471-I1475 WeakPolarHBondContact O-CD1 3.35Å; K1471-I1475 VanDerWaalsContact O-CG1 3.24Å; K1471-I1475 WeakPolarHBondContact O-CG1 3.37Å; K1471-I1475 PolarHBondContact O-N 2.97Å; K1471-I1475 VanDerWaalsContact O-N 3.11Å; I1472-I1475 WeakPolarHBondContact O-CB 3.38Å; I1472-I1475 PolarHBondContact O-N 3.03Å; I1472-I1475 VanDerWaalsContact O-N 3.12Å; L1473-I1475 VanDerWaalsContact C-N 3.27Å; L1473-I1475 PolarHBondContact O-N 2.82Å; L1473-I1475 VanDerWaalsContact O-N 3.1Å; I1475-R1508 PolarHBondContact O-NH1 3.08Å; I1475-F1595 HydrophobicContact CG2-CZ 4.17Å |
| 1476 | V | 65 | Low | 68.6 | Low | 47.6 Ų | 47.6 | 31.6 Ų | 31.6 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -86.9 | -29.8 | -168.5 | 178.9 | 0 | 0 | 0 | 0 | 113 | I1305 L1306 E1309 I1472 L1473 S1478 | I1305-V1476 HydrophobicContact CG2-CG1 4.11Å; I1305-V1476 HydrophobicContact CG2-CG2 4.38Å; L1306-V1476 HydrophobicContact CD2-CB 3.73Å; L1306-V1476 HydrophobicContact CD2-CG1 3.9Å; L1306-V1476 HydrophobicContact CD2-CG2 3.85Å; L1306-V1476 HydrophobicContact CG-CB 4.49Å; L1306-V1476 HydrophobicContact CG-CG1 4.34Å; E1309-V1476 HydrophobicContact CG-CG2 4.32Å; I1472-V1476 HydrophobicContact CG2-CG2 4.4Å; I1472-V1476 VanDerWaalsContact O-CB 3.29Å; I1472-V1476 WeakPolarHBondContact O-CB 3.44Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.25Å; I1472-V1476 PolarHBondContact O-N 3.22Å; I1472-V1476 VanDerWaalsContact O-N 3.08Å; L1473-V1476 PolarHBondContact O-N 3.25Å; L1473-V1476 VanDerWaalsContact O-N 3.13Å; V1476-S1478 PolarHBondContact O-N 3.03Å |
| 1477 | C | 65.3 | Low | 69.1 | Low | 8.6 Ų | 8.6 | 29.5 Ų | 29.5 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | trans | -61.4 | 130.4 | -179.7 | -70 | 0 | 0 | 0 | 0 | 111.6 | Y1294 L1473 D1479 D1482 K1483 R1508 | Y1294-C1477 WeakPolarHBondContact CE2-SG 3.44Å; L1473-C1477 VanDerWaalsContact O-CB 3.25Å; L1473-C1477 WeakPolarHBondContact O-CB 3.36Å; L1473-C1477 PolarHBondContact O-N 3Å; L1473-C1477 PolarHBondContact O-SG 3.25Å; C1477-D1479 VanDerWaalsContact C-N 3.32Å; C1477-D1479 PolarHBondContact O-N 3.45Å; C1477-D1482 HydrophobicContact CB-CB 4.2Å; C1477-K1483 HydrophobicContact CB-CD 4.15Å; C1477-K1483 HydrophobicContact CB-CG 4.11Å; C1477-K1483 WeakPolarHBondContact O-CE 3.39Å; C1477-K1483 PolarHBondContact SG-NZ 2.83Å; C1477-R1508 VanDerWaalsContact O-CZ 3.25Å; C1477-R1508 PolarHBondContact O-NH1 3.35Å; C1477-R1508 PolarHBondContact O-NH2 3.42Å | ||
| 1478 | S | 63 | Low | 69.6 | Low | 98.4 Ų | 98.4 | 28.6 Ų | 28.6 | 69% | 0.688 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -80.4 | -27.8 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | V1476 | V1476-S1478 PolarHBondContact O-N 3.03Š|
| 1479 | D | 67.1 | Low | 70 | Confident | 49.6 Ų | 49.6 | 29.8 Ų | 29.8 | 27% | 0.265 | 15% | 0.154 | S | C | . | . | trans | -87.2 | 121.9 | -177 | -148.5 | -24.7 | 0 | 0 | 0 | 111.7 | C1477 D1481 D1482 K1483 Y1513 | C1477-D1479 VanDerWaalsContact C-N 3.32Å; C1477-D1479 PolarHBondContact O-N 3.45Å; D1479-D1481 VanDerWaalsContact C-N 3.34Å; D1479-D1481 PolarHBondContact O-N 3.15Å; D1479-D1481 PolarHBondContact OD1-N 3.18Å; D1479-D1481 VanDerWaalsContact OD1-N 3.15Å; D1479-D1482 HydrophobicContact CB-CB 4.31Å; D1479-D1482 PolarHBondContact O-N 3.16Å; D1479-K1483 WeakPolarHBondContact O-CD 3.5Å; D1479-K1483 VanDerWaalsContact O-CG 3.26Å; D1479-K1483 WeakPolarHBondContact O-CG 3.39Å; D1479-K1483 PolarHBondContact O-N 2.93Å; D1479-K1483 VanDerWaalsContact O-N 3.12Å; D1479-Y1513 VanDerWaalsContact CG-OH 3.28Å; D1479-Y1513 VanDerWaalsContact OD1-CE2 3.23Å; D1479-Y1513 WeakPolarHBondContact OD1-CE2 3.35Å; D1479-Y1513 PolarHBondContact OD1-OH 3.09Å; D1479-Y1513 PolarHBondContact OD2-OH 3.02Å | ||
| 1480 | L | 69.6 | Low | 70.2 | Confident | 13.6 Ų | 13.6 | 29.8 Ų | 29.8 | 7% | 0.071 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -35.5 | -178.4 | -116.1 | 111.8 | 0 | 0 | 0 | 112.6 | I1358 D1482 K1483 L1484 F1505 R1508 I1509 | I1358-L1480 HydrophobicContact CG1-CD2 4.4Å; I1358-L1480 HydrophobicContact CG2-CD1 3.92Å; I1358-L1480 HydrophobicContact CG2-CD2 4.29Å; L1480-D1482 VanDerWaalsContact C-N 3.32Å; L1480-D1482 PolarHBondContact O-N 2.89Å; L1480-K1483 PolarHBondContact O-N 2.88Å; L1480-L1484 HydrophobicContact CD2-CD1 3.92Å; L1480-L1484 HydrophobicContact CG-CD1 4.25Å; L1480-L1484 WeakPolarHBondContact O-CB 3.46Å; L1480-L1484 WeakPolarHBondContact O-CD1 3.46Å; L1480-L1484 VanDerWaalsContact O-CG 3.22Å; L1480-L1484 WeakPolarHBondContact O-CG 3.43Å; L1480-L1484 PolarHBondContact O-N 3.01Å; L1480-L1484 VanDerWaalsContact O-N 3.11Å; L1480-F1505 HydrophobicContact CD1-CD2 4.1Å; L1480-F1505 HydrophobicContact CD1-CE2 3.87Å; L1480-F1505 HydrophobicContact CD2-CD2 4Å; L1480-F1505 HydrophobicContact CD2-CE2 3.71Å; L1480-F1505 VanDerWaalsContact CD2-CE2 3.42Å; L1480-F1505 HydrophobicContact CD2-CZ 4.26Å; L1480-F1505 HydrophobicContact CG-CD2 4.41Å; L1480-F1505 HydrophobicContact CG-CE2 3.97Å; L1480-R1508 HydrophobicContact CD1-CB 4.14Å; L1480-R1508 HydrophobicContact CD1-CG 3.67Å; L1480-R1508 HydrophobicContact CD2-CB 4.41Å; L1480-R1508 HydrophobicContact CD2-CG 4.36Å; L1480-I1509 HydrophobicContact CB-CG1 4.39Å; L1480-I1509 HydrophobicContact CD1-CG1 4.15Å; L1480-I1509 HydrophobicContact CD2-CD1 4.18Å; L1480-I1509 HydrophobicContact CD2-CG1 3.65Å; L1480-I1509 VanDerWaalsContact CD2-CG1 3.4Å; L1480-I1509 HydrophobicContact CG-CG1 4.46Å |
| 1481 | D | 68.1 | Low | 70.3 | Confident | 32.2 Ų | 32.2 | 32.1 Ų | 32.1 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 179.7 | -134.5 | 31 | 0 | 0 | 0 | 111.1 | R1295 D1479 K1483 L1484 Y1485 Y1513 T1516 F1520 Y1524 | R1295-D1481 IonicContact CZ-OD2 3.72Å; R1295-D1481 IonicContact NH1-OD2 2.85Å; R1295-D1481 PolarHBondContact NH1-OD2 2.84Å; R1295-D1481 IonicContact NH2-OD2 3.83Å; D1479-D1481 VanDerWaalsContact C-N 3.34Å; D1479-D1481 PolarHBondContact O-N 3.15Å; D1479-D1481 PolarHBondContact OD1-N 3.18Å; D1479-D1481 VanDerWaalsContact OD1-N 3.15Å; D1481-K1483 VanDerWaalsContact C-N 3.29Å; D1481-K1483 PolarHBondContact O-N 3.31Å; D1481-L1484 PolarHBondContact O-N 3.11Å; D1481-Y1485 WeakPolarHBondContact O-CB 3.39Å; D1481-Y1485 PolarHBondContact O-N 3.04Å; D1481-Y1513 HydrophobicContact CB-CD1 4.5Å; D1481-Y1513 HydrophobicContact CB-CD2 4.24Å; D1481-Y1513 HydrophobicContact CB-CE2 4.37Å; D1481-Y1513 HydrophobicContact CB-CG 4.15Å; D1481-T1516 VanDerWaalsContact OD1-CB 3.29Å; D1481-T1516 WeakPolarHBondContact OD1-CB 3.4Å; D1481-T1516 WeakPolarHBondContact OD1-CG2 3.41Å; D1481-F1520 WeakPolarHBondContact OD1-CE2 3.19Å; D1481-F1520 WeakPolarHBondContact OD1-CZ 3.18Å; D1481-Y1524 PolarHBondContact O-OH 3.19Å |
| 1482 | D | 68.3 | Low | 70.6 | Confident | 23 Ų | 23 | 31.1 Ų | 31.1 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 176 | -73.5 | -20.7 | 0 | 0 | 0 | 112.1 | R1295 H1296 C1477 D1479 L1480 L1484 Y1485 H1486 | R1295-D1482 WeakPolarHBondContact CD-OD1 3.31Å; R1295-D1482 IonicContact CZ-OD1 2.95Å; R1295-D1482 IonicContact NE-OD1 3.14Å; R1295-D1482 IonicContact NH1-OD1 2.75Å; R1295-D1482 PolarHBondContact NH1-OD1 3.49Å; H1296-D1482 IonicContact CD2-OD2 3.25Å; H1296-D1482 PolarHBondContact CD2-OD2 3.21Å; H1296-D1482 VanDerWaalsContact CD2-OD2 3.24Å; H1296-D1482 IonicContact NE2-OD1 3.39Å; H1296-D1482 IonicContact NE2-OD2 3.17Å; H1296-D1482 PolarHBondContact NE2-OD2 2.96Å; C1477-D1482 HydrophobicContact CB-CB 4.2Å; D1479-D1482 HydrophobicContact CB-CB 4.31Å; D1479-D1482 PolarHBondContact O-N 3.16Å; L1480-D1482 VanDerWaalsContact C-N 3.32Å; L1480-D1482 PolarHBondContact O-N 2.89Å; D1482-L1484 VanDerWaalsContact C-N 3.32Å; D1482-L1484 PolarHBondContact O-N 3.1Å; D1482-Y1485 WeakPolarHBondContact O-CB 3.35Å; D1482-Y1485 PolarHBondContact O-N 3.21Å; D1482-Y1485 VanDerWaalsContact O-N 3.15Å; D1482-H1486 WeakPolarHBondContact O-CB 3.39Å; D1482-H1486 PolarHBondContact O-CD2 3Å; D1482-H1486 PolarHBondContact O-N 3.14Å |
| 1483 | K | 73.3 | Confident | 70.8 | Confident | 24.8 Ų | 24.8 | 30.5 Ų | 30.5 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 174.2 | -71.2 | -167.8 | -178.7 | -169.4 | 0 | 111.4 | F1357 A1474 C1477 D1479 L1480 D1481 Y1485 H1486 F1487 | F1357-K1483 HydrophobicContact CE1-CD 4.22Å; F1357-K1483 HydrophobicContact CZ-CD 4.04Å; F1357-K1483 PolarHBondContact O-NZ 3.31Å; F1357-K1483 VanDerWaalsContact O-NZ 3.09Å; A1474-K1483 WeakPolarHBondContact O-CD 3.3Å; A1474-K1483 VanDerWaalsContact O-CG 3.25Å; A1474-K1483 WeakPolarHBondContact O-CG 3.27Å; C1477-K1483 HydrophobicContact CB-CD 4.15Å; C1477-K1483 HydrophobicContact CB-CG 4.11Å; C1477-K1483 WeakPolarHBondContact O-CE 3.39Å; C1477-K1483 PolarHBondContact SG-NZ 2.83Å; D1479-K1483 WeakPolarHBondContact O-CD 3.5Å; D1479-K1483 VanDerWaalsContact O-CG 3.26Å; D1479-K1483 WeakPolarHBondContact O-CG 3.39Å; D1479-K1483 PolarHBondContact O-N 2.93Å; D1479-K1483 VanDerWaalsContact O-N 3.12Å; L1480-K1483 PolarHBondContact O-N 2.88Å; D1481-K1483 VanDerWaalsContact C-N 3.29Å; D1481-K1483 PolarHBondContact O-N 3.31Å; K1483-Y1485 VanDerWaalsContact C-N 3.3Å; K1483-Y1485 PolarHBondContact O-N 2.82Å; K1483-H1486 PolarHBondContact O-N 3.05Å; K1483-F1487 HydrophobicContact CB-CE2 4.32Å; K1483-F1487 WeakPolarHBondContact O-CD2 3.29Å; K1483-F1487 WeakPolarHBondContact O-CG 3.41Å; K1483-F1487 PolarHBondContact O-N 3.08Å |
| 1484 | L | 73.4 | Confident | 70.9 | Confident | 1.4 Ų | 1.4 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.9 | -74.1 | 168.9 | 0 | 0 | 0 | 112.2 | L1480 D1481 D1482 H1486 F1487 L1488 I1496 L1499 F1505 I1509 F1520 Y1524 | L1480-L1484 HydrophobicContact CD2-CD1 3.92Å; L1480-L1484 HydrophobicContact CG-CD1 4.25Å; L1480-L1484 WeakPolarHBondContact O-CB 3.46Å; L1480-L1484 WeakPolarHBondContact O-CD1 3.46Å; L1480-L1484 VanDerWaalsContact O-CG 3.22Å; L1480-L1484 WeakPolarHBondContact O-CG 3.43Å; L1480-L1484 PolarHBondContact O-N 3.01Å; L1480-L1484 VanDerWaalsContact O-N 3.11Å; D1481-L1484 PolarHBondContact O-N 3.11Å; D1482-L1484 VanDerWaalsContact C-N 3.32Å; D1482-L1484 PolarHBondContact O-N 3.1Å; L1484-H1486 VanDerWaalsContact C-N 3.34Å; L1484-H1486 PolarHBondContact O-N 2.96Å; L1484-F1487 PolarHBondContact O-N 3.13Å; L1484-L1488 WeakPolarHBondContact O-CB 3.31Å; L1484-L1488 PolarHBondContact O-N 2.98Å; L1484-L1488 VanDerWaalsContact O-N 3.12Å; L1484-I1496 HydrophobicContact CD2-CG1 4.38Å; L1484-I1496 HydrophobicContact CD2-CG2 4.13Å; L1484-L1499 HydrophobicContact CD2-CD1 4.16Å; L1484-F1505 HydrophobicContact CD1-CE1 4.32Å; L1484-F1505 HydrophobicContact CD1-CE2 4.19Å; L1484-F1505 HydrophobicContact CD1-CZ 3.7Å; L1484-F1505 HydrophobicContact CD2-CE1 4.41Å; L1484-F1505 HydrophobicContact CD2-CE2 4.19Å; L1484-F1505 HydrophobicContact CD2-CZ 3.7Å; L1484-F1505 HydrophobicContact CG-CE2 4.34Å; L1484-F1505 HydrophobicContact CG-CZ 4.01Å; L1484-I1509 HydrophobicContact CD1-CD1 3.87Å; L1484-I1509 VanDerWaalsContact CD1-CD1 3.43Å; L1484-I1509 HydrophobicContact CG-CD1 4.44Å; L1484-F1520 HydrophobicContact CB-CD1 4.39Å; L1484-F1520 HydrophobicContact CB-CE1 3.9Å; L1484-F1520 VanDerWaalsContact CB-CE1 3.46Å; L1484-F1520 HydrophobicContact CB-CE2 4.16Å; L1484-F1520 HydrophobicContact CB-CZ 4.03Å; L1484-F1520 VanDerWaalsContact CB-CZ 3.49Å; L1484-F1520 HydrophobicContact CD1-CD1 4.19Å; L1484-F1520 HydrophobicContact CD1-CD2 3.91Å; L1484-F1520 HydrophobicContact CD1-CE1 3.69Å; L1484-F1520 HydrophobicContact CD1-CE2 3.87Å; L1484-F1520 HydrophobicContact CD1-CG 4.01Å; L1484-F1520 HydrophobicContact CD1-CZ 3.72Å; L1484-F1520 HydrophobicContact CD2-CZ 4.41Å; L1484-F1520 HydrophobicContact CG-CE1 4.23Å; L1484-F1520 HydrophobicContact CG-CE2 4.41Å; L1484-F1520 HydrophobicContact CG-CZ 4.35Å; L1484-Y1524 HydrophobicContact CB-CE2 4.09Å |
| 1485 | Y | 73.5 | Confident | 71.1 | Confident | 57.6 Ų | 57.6 | 33.4 Ų | 33.4 | 23% | 0.226 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.4 | -51.7 | 173.5 | 179.2 | -99.2 | 0 | 0 | 0 | 110.6 | R1295 D1481 D1482 K1483 F1487 L1488 Y1489 Y1524 T1526 | R1295-Y1485 VanDerWaalsContact CD-CD1 3.43Å; R1295-Y1485 HydrophobicContact CG-CD1 3.97Å; R1295-Y1485 HydrophobicContact CG-CE1 3.83Å; D1481-Y1485 WeakPolarHBondContact O-CB 3.39Å; D1481-Y1485 PolarHBondContact O-N 3.04Å; D1482-Y1485 WeakPolarHBondContact O-CB 3.35Å; D1482-Y1485 PolarHBondContact O-N 3.21Å; D1482-Y1485 VanDerWaalsContact O-N 3.15Å; K1483-Y1485 VanDerWaalsContact C-N 3.3Å; K1483-Y1485 PolarHBondContact O-N 2.82Å; Y1485-F1487 VanDerWaalsContact C-N 3.32Å; Y1485-F1487 PolarHBondContact O-N 2.9Å; Y1485-L1488 WeakPolarHBondContact O-CB 3.42Å; Y1485-L1488 PolarHBondContact O-N 3.11Å; Y1485-L1488 VanDerWaalsContact O-N 3.15Å; Y1485-Y1489 HydrophobicContact CD1-CD2 4.3Å; Y1485-Y1489 HydrophobicContact CD1-CE2 4.38Å; Y1485-Y1489 AromaticContact CD2-CD2 3.83Å; Y1485-Y1489 HydrophobicContact CD2-CD2 4.14Å; Y1485-Y1489 AromaticContact CD2-CE2 3.74Å; Y1485-Y1489 HydrophobicContact CD2-CE2 3.74Å; Y1485-Y1489 VanDerWaalsContact CD2-CE2 3.48Å; Y1485-Y1489 AromaticContact CE1-CD2 3.88Å; Y1485-Y1489 HydrophobicContact CE1-CD2 4.08Å; Y1485-Y1489 AromaticContact CE1-CE2 3.85Å; Y1485-Y1489 HydrophobicContact CE1-CE2 4.07Å; Y1485-Y1489 AromaticContact CE2-CD2 3.89Å; Y1485-Y1489 HydrophobicContact CE2-CD2 3.89Å; Y1485-Y1489 AromaticContact CE2-CE2 3.18Å; Y1485-Y1489 HydrophobicContact CE2-CE2 3.18Å; Y1485-Y1489 AromaticContact CE2-CZ 3.77Å; Y1485-Y1489 HydrophobicContact CG-CD2 4.34Å; Y1485-Y1489 HydrophobicContact CG-CE2 4.37Å; Y1485-Y1489 AromaticContact CZ-CD2 3.84Å; Y1485-Y1489 AromaticContact CZ-CE2 3.35Å; Y1485-Y1489 VanDerWaalsContact CZ-CE2 3.44Å; Y1485-Y1489 AromaticContact CZ-CZ 3.77Å; Y1485-Y1489 VanDerWaalsContact O-CD2 3.3Å; Y1485-Y1489 WeakPolarHBondContact O-CD2 3.34Å; Y1485-Y1489 PolarHBondContact O-N 3.15Å; Y1485-Y1489 VanDerWaalsContact O-N 3.13Å; Y1485-Y1489 WeakPolarHBondContact OH-CE2 3.38Å; Y1485-Y1489 PolarHBondContact OH-OH 3.21Å; Y1485-Y1524 WeakPolarHBondContact CA-OH 3.49Å; Y1485-Y1524 VanDerWaalsContact CB-OH 3.27Å; Y1485-Y1524 WeakPolarHBondContact CB-OH 3.25Å; Y1485-Y1524 AromaticContact CD2-CE1 3.88Å; Y1485-Y1524 HydrophobicContact CD2-CE1 4.08Å; Y1485-Y1524 AromaticContact CD2-CZ 3.72Å; Y1485-Y1524 WeakPolarHBondContact CD2-OH 3.47Å; Y1485-Y1524 HydrophobicContact CE2-CE1 4.45Å; Y1485-T1526 HydrophobicContact CD2-CG2 4.15Å; Y1485-T1526 HydrophobicContact CE2-CG2 4.1Å |
| 1486 | H | 75.1 | Confident | 71.6 | Confident | 25.2 Ų | 25.2 | 31.7 Ų | 31.7 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -36.2 | -178.3 | -70.3 | -56.4 | 0 | 0 | 0 | 113.2 | F1293 Y1294 H1470 L1473 A1474 D1482 K1483 L1484 L1488 Y1489 A1490 | F1293-H1486 PolarHBondContact O-CE1 3.18Å; F1293-H1486 VanDerWaalsContact O-CE1 3.24Å; Y1294-H1486 AromaticContact CD2-NE2 3.98Å; H1470-H1486 HydrophobicContact CB-CB 4.44Å; H1470-H1486 WeakPolarHBondContact CB-O 3.36Å; H1470-H1486 AromaticContact CE1-ND1 3.7Å; H1470-H1486 AromaticContact ND1-CE1 3.94Å; H1470-H1486 AromaticContact ND1-CG 3.9Å; H1470-H1486 AromaticContact ND1-ND1 3.08Å; H1470-H1486 PolarHBondContact ND1-ND1 3.07Å; H1470-H1486 VanDerWaalsContact ND1-ND1 3.13Å; H1470-H1486 WeakPolarHBondContact O-CB 3.29Å; L1473-H1486 HydrophobicContact CB-CB 4.25Å; L1473-H1486 WeakPolarHBondContact CD1-CE1 3.35Å; A1474-H1486 HydrophobicContact CB-CB 3.76Å; D1482-H1486 WeakPolarHBondContact O-CB 3.39Å; D1482-H1486 PolarHBondContact O-CD2 3Å; D1482-H1486 PolarHBondContact O-N 3.14Å; K1483-H1486 PolarHBondContact O-N 3.05Å; L1484-H1486 VanDerWaalsContact C-N 3.34Å; L1484-H1486 PolarHBondContact O-N 2.96Å; H1486-L1488 VanDerWaalsContact C-N 3.28Å; H1486-L1488 PolarHBondContact O-N 3.32Å; H1486-Y1489 PolarHBondContact O-N 3.31Å; H1486-A1490 VanDerWaalsContact O-CB 3.28Å; H1486-A1490 WeakPolarHBondContact O-CB 3.14Å; H1486-A1490 PolarHBondContact O-N 3.25Å |
| 1487 | F | 75.9 | Confident | 72.1 | Confident | 5.2 Ų | 5.2 | 29.5 Ų | 29.5 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 172.5 | -75.7 | -52.9 | 0 | 0 | 0 | 113.3 | W1331 F1357 H1441 A1474 K1483 L1484 Y1485 Y1489 A1490 D1491 E1492 I1495 I1496 L1499 | W1331-F1487 HydrophobicContact CE3-CE1 4.49Å; W1331-F1487 HydrophobicContact CH2-CD1 4.41Å; W1331-F1487 AromaticContact CH2-CE1 3.16Å; W1331-F1487 HydrophobicContact CH2-CE1 3.16Å; W1331-F1487 AromaticContact CH2-CZ 3.34Å; W1331-F1487 HydrophobicContact CH2-CZ 3.34Å; W1331-F1487 HydrophobicContact CZ2-CE1 4.44Å; W1331-F1487 HydrophobicContact CZ2-CZ 4.33Å; W1331-F1487 HydrophobicContact CZ3-CD1 4.14Å; W1331-F1487 AromaticContact CZ3-CE1 3.19Å; W1331-F1487 HydrophobicContact CZ3-CE1 3.19Å; W1331-F1487 AromaticContact CZ3-CZ 3.73Å; W1331-F1487 HydrophobicContact CZ3-CZ 3.73Å; F1357-F1487 HydrophobicContact CE1-CE2 4.12Å; F1357-F1487 HydrophobicContact CE1-CZ 4.45Å; F1357-F1487 HydrophobicContact CE2-CZ 4.33Å; F1357-F1487 AromaticContact CZ-CE2 3.68Å; F1357-F1487 HydrophobicContact CZ-CE2 3.68Å; F1357-F1487 AromaticContact CZ-CZ 3.67Å; F1357-F1487 HydrophobicContact CZ-CZ 3.67Å; H1441-F1487 AromaticContact NE2-CE1 3.26Å; H1441-F1487 VanDerWaalsContact NE2-CE1 3.26Å; H1441-F1487 WeakPolarHBondContact NE2-CE1 3.39Å; A1474-F1487 HydrophobicContact CB-CD1 3.8Å; A1474-F1487 HydrophobicContact CB-CD2 3.88Å; A1474-F1487 HydrophobicContact CB-CE1 3.56Å; A1474-F1487 HydrophobicContact CB-CE2 3.87Å; A1474-F1487 HydrophobicContact CB-CG 4.01Å; A1474-F1487 HydrophobicContact CB-CZ 3.6Å; A1474-F1487 VanDerWaalsContact CB-CZ 3.42Å; K1483-F1487 HydrophobicContact CB-CE2 4.32Å; K1483-F1487 WeakPolarHBondContact O-CD2 3.29Å; K1483-F1487 WeakPolarHBondContact O-CG 3.41Å; K1483-F1487 PolarHBondContact O-N 3.08Å; L1484-F1487 PolarHBondContact O-N 3.13Å; Y1485-F1487 VanDerWaalsContact C-N 3.32Å; Y1485-F1487 PolarHBondContact O-N 2.9Å; F1487-Y1489 VanDerWaalsContact C-N 3.3Å; F1487-Y1489 PolarHBondContact O-N 3.43Å; F1487-A1490 PolarHBondContact O-N 3.22Å; F1487-D1491 PolarHBondContact O-N 3.22Å; F1487-E1492 HydrophobicContact CD1-CB 4.12Å; F1487-E1492 HydrophobicContact CD1-CG 4.45Å; F1487-E1492 PolarHBondContact O-N 3.19Å; F1487-E1492 VanDerWaalsContact O-N 3.11Å; F1487-I1495 HydrophobicContact CD1-CD1 4.16Å; F1487-I1495 HydrophobicContact CD1-CG2 4.48Å; F1487-I1495 HydrophobicContact CD2-CG2 4.3Å; F1487-I1495 HydrophobicContact CE1-CD1 3.92Å; F1487-I1495 HydrophobicContact CE1-CG2 4.37Å; F1487-I1495 HydrophobicContact CE2-CG2 4.33Å; F1487-I1495 HydrophobicContact CG-CG2 4.44Å; F1487-I1495 HydrophobicContact CZ-CD1 4.45Å; F1487-I1495 HydrophobicContact CZ-CG2 4.37Å; F1487-I1496 HydrophobicContact CB-CD1 3.95Å; F1487-I1496 HydrophobicContact CB-CG1 3.87Å; F1487-I1496 HydrophobicContact CG-CG1 4.43Å; F1487-L1499 HydrophobicContact CD2-CD1 4.36Å; F1487-L1499 HydrophobicContact CE2-CD1 4.35Å |
| 1488 | L | 74.8 | Confident | 72.6 | Confident | 6.8 Ų | 6.8 | 29.9 Ų | 29.9 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 179.2 | -166.9 | 82.3 | 0 | 0 | 0 | 111.3 | L1484 Y1485 H1486 A1490 D1491 L1493 I1496 F1520 Y1524 P1525 T1526 I1531 W1535 | L1484-L1488 WeakPolarHBondContact O-CB 3.31Å; L1484-L1488 PolarHBondContact O-N 2.98Å; L1484-L1488 VanDerWaalsContact O-N 3.12Å; Y1485-L1488 WeakPolarHBondContact O-CB 3.42Å; Y1485-L1488 PolarHBondContact O-N 3.11Å; Y1485-L1488 VanDerWaalsContact O-N 3.15Å; H1486-L1488 VanDerWaalsContact C-N 3.28Å; H1486-L1488 PolarHBondContact O-N 3.32Å; L1488-A1490 VanDerWaalsContact C-N 3.31Å; L1488-A1490 PolarHBondContact O-N 3.38Å; L1488-D1491 PolarHBondContact O-N 2.89Å; L1488-L1493 HydrophobicContact CD1-CD2 3.93Å; L1488-L1493 HydrophobicContact CG-CD2 4.27Å; L1488-I1496 HydrophobicContact CB-CD1 4.03Å; L1488-I1496 HydrophobicContact CD1-CD1 3.97Å; L1488-I1496 HydrophobicContact CG-CD1 4.46Å; L1488-F1520 HydrophobicContact CD2-CE1 4.31Å; L1488-F1520 HydrophobicContact CD2-CZ 4.4Å; L1488-Y1524 HydrophobicContact CD1-CD1 4.15Å; L1488-Y1524 HydrophobicContact CD1-CD2 3.86Å; L1488-Y1524 HydrophobicContact CD1-CE2 3.76Å; L1488-Y1524 HydrophobicContact CD1-CG 3.97Å; L1488-Y1524 HydrophobicContact CD2-CD1 3.6Å; L1488-Y1524 VanDerWaalsContact CD2-CD1 3.46Å; L1488-Y1524 HydrophobicContact CD2-CD2 3.92Å; L1488-Y1524 HydrophobicContact CD2-CE1 4.08Å; L1488-Y1524 HydrophobicContact CD2-CE2 4.42Å; L1488-Y1524 HydrophobicContact CD2-CG 3.47Å; L1488-Y1524 VanDerWaalsContact CD2-CG 3.42Å; L1488-Y1524 HydrophobicContact CG-CD1 4.43Å; L1488-Y1524 HydrophobicContact CG-CD2 4.41Å; L1488-Y1524 HydrophobicContact CG-CG 4.35Å; L1488-P1525 HydrophobicContact CD1-CG 4.41Å; L1488-P1525 HydrophobicContact CD2-CB 3.83Å; L1488-P1525 HydrophobicContact CD2-CG 3.6Å; L1488-T1526 HydrophobicContact CD2-CG2 3.82Å; L1488-T1526 VanDerWaalsContact CD2-CG2 3.46Å; L1488-I1531 HydrophobicContact CD1-CG2 4.03Å; L1488-I1531 HydrophobicContact CD2-CG2 3.5Å; L1488-I1531 VanDerWaalsContact CD2-CG2 3.46Å; L1488-I1531 HydrophobicContact CG-CG2 3.68Å; L1488-I1531 VanDerWaalsContact CG-CG2 3.47Å; L1488-W1535 HydrophobicContact CD1-CB 4.16Å; L1488-W1535 HydrophobicContact CD1-CD2 4.34Å; L1488-W1535 HydrophobicContact CD1-CE3 4.3Å; L1488-W1535 HydrophobicContact CD1-CG 4.29Å |
| 1489 | Y | 74.2 | Confident | 73.2 | Confident | 72.6 Ų | 72.6 | 25.4 Ų | 25.4 | 29% | 0.285 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -75.7 | -21.7 | 176.7 | -79.9 | -100.7 | 0 | 0 | 0 | 113.1 | H1470 Y1485 H1486 F1487 D1491 T1526 D1528 I1531 | H1470-Y1489 VanDerWaalsContact CD2-CB 3.44Å; H1470-Y1489 WeakPolarHBondContact CD2-CB 3.08Å; H1470-Y1489 WeakPolarHBondContact CE1-CB 3.44Å; H1470-Y1489 AromaticContact CE1-CD1 3.99Å; H1470-Y1489 AromaticContact CE1-CG 3.72Å; H1470-Y1489 VanDerWaalsContact ND1-CB 3.33Å; H1470-Y1489 WeakPolarHBondContact ND1-CB 3.27Å; H1470-Y1489 WeakPolarHBondContact NE2-CB 3.17Å; H1470-Y1489 AromaticContact NE2-CD1 3.89Å; H1470-Y1489 AromaticContact NE2-CG 3.98Å; Y1485-Y1489 HydrophobicContact CD1-CD2 4.3Å; Y1485-Y1489 HydrophobicContact CD1-CE2 4.38Å; Y1485-Y1489 AromaticContact CD2-CD2 3.83Å; Y1485-Y1489 HydrophobicContact CD2-CD2 4.14Å; Y1485-Y1489 AromaticContact CD2-CE2 3.74Å; Y1485-Y1489 HydrophobicContact CD2-CE2 3.74Å; Y1485-Y1489 VanDerWaalsContact CD2-CE2 3.48Å; Y1485-Y1489 AromaticContact CE1-CD2 3.88Å; Y1485-Y1489 HydrophobicContact CE1-CD2 4.08Å; Y1485-Y1489 AromaticContact CE1-CE2 3.85Å; Y1485-Y1489 HydrophobicContact CE1-CE2 4.07Å; Y1485-Y1489 AromaticContact CE2-CD2 3.89Å; Y1485-Y1489 HydrophobicContact CE2-CD2 3.89Å; Y1485-Y1489 AromaticContact CE2-CE2 3.18Å; Y1485-Y1489 HydrophobicContact CE2-CE2 3.18Å; Y1485-Y1489 AromaticContact CE2-CZ 3.77Å; Y1485-Y1489 HydrophobicContact CG-CD2 4.34Å; Y1485-Y1489 HydrophobicContact CG-CE2 4.37Å; Y1485-Y1489 AromaticContact CZ-CD2 3.84Å; Y1485-Y1489 AromaticContact CZ-CE2 3.35Å; Y1485-Y1489 VanDerWaalsContact CZ-CE2 3.44Å; Y1485-Y1489 AromaticContact CZ-CZ 3.77Å; Y1485-Y1489 VanDerWaalsContact O-CD2 3.3Å; Y1485-Y1489 WeakPolarHBondContact O-CD2 3.34Å; Y1485-Y1489 PolarHBondContact O-N 3.15Å; Y1485-Y1489 VanDerWaalsContact O-N 3.13Å; Y1485-Y1489 WeakPolarHBondContact OH-CE2 3.38Å; Y1485-Y1489 PolarHBondContact OH-OH 3.21Å; H1486-Y1489 PolarHBondContact O-N 3.31Å; F1487-Y1489 VanDerWaalsContact C-N 3.3Å; F1487-Y1489 PolarHBondContact O-N 3.43Å; Y1489-D1491 VanDerWaalsContact C-N 3.34Å; Y1489-D1491 PolarHBondContact O-N 3.14Å; Y1489-T1526 HydrophobicContact CE2-CG2 3.93Å; Y1489-T1526 WeakPolarHBondContact OH-CG2 3.5Å; Y1489-D1528 PolarHBondContact OH-OD2 3.24Å; Y1489-I1531 HydrophobicContact CD1-CD1 3.64Å; Y1489-I1531 VanDerWaalsContact CD1-CD1 3.48Å; Y1489-I1531 HydrophobicContact CD2-CD1 4.24Å; Y1489-I1531 HydrophobicContact CE1-CD1 3.55Å; Y1489-I1531 VanDerWaalsContact CE1-CD1 3.49Å; Y1489-I1531 HydrophobicContact CE2-CD1 3.98Å; Y1489-I1531 HydrophobicContact CG-CD1 4.08Å; Y1489-I1531 VanDerWaalsContact CZ-CD1 3.46Å |
| 1490 | A | 73.5 | Confident | 73.7 | Confident | 14.4 Ų | 14.4 | 23.2 Ų | 23.2 | 12% | 0.119 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1467 H1470 K1471 H1486 F1487 L1488 E1492 | T1467-A1490 WeakPolarHBondContact CG2-O 3.16Å; H1470-A1490 HydrophobicContact CB-CB 3.91Å; K1471-A1490 HydrophobicContact CB-CB 4.1Å; K1471-A1490 HydrophobicContact CG-CB 3.83Å; H1486-A1490 VanDerWaalsContact O-CB 3.28Å; H1486-A1490 WeakPolarHBondContact O-CB 3.14Å; H1486-A1490 PolarHBondContact O-N 3.25Å; F1487-A1490 PolarHBondContact O-N 3.22Å; L1488-A1490 VanDerWaalsContact C-N 3.31Å; L1488-A1490 PolarHBondContact O-N 3.38Å; A1490-E1492 HydrophobicContact CB-CB 4.4Å; A1490-E1492 HydrophobicContact CB-CG 4.12Å; A1490-E1492 PolarHBondContact O-N 3.01Å; A1490-E1492 VanDerWaalsContact O-N 3.12Å |
| 1491 | D | 73.8 | Confident | 74 | Confident | 59.2 Ų | 59.2 | 22.9 Ų | 22.9 | 32% | 0.317 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 19.1 | -172.8 | -134.6 | -3.2 | 0 | 0 | 0 | 113.8 | Y1463 F1487 L1488 Y1489 L1493 K1534 | Y1463-D1491 HydrophobicContact CE1-CB 4.45Å; Y1463-D1491 WeakPolarHBondContact OH-CB 3.34Å; Y1463-D1491 PolarHBondContact OH-OD2 3.04Å; Y1463-D1491 VanDerWaalsContact OH-OD2 3.11Å; F1487-D1491 PolarHBondContact O-N 3.22Å; L1488-D1491 PolarHBondContact O-N 2.89Å; Y1489-D1491 VanDerWaalsContact C-N 3.34Å; Y1489-D1491 PolarHBondContact O-N 3.14Å; D1491-L1493 PolarHBondContact O-N 3.1Å; D1491-L1493 VanDerWaalsContact O-N 3.17Å; D1491-L1493 WeakPolarHBondContact OD1-CD1 3.47Å; D1491-K1534 VanDerWaalsContact CG-NZ 3.26Å; D1491-K1534 IonicContact OD1-NZ 3.24Å; D1491-K1534 PolarHBondContact OD1-NZ 2.97Å; D1491-K1534 IonicContact OD2-NZ 3.09Å; D1491-K1534 PolarHBondContact OD2-NZ 2.97Å |
| 1492 | E | 74.4 | Confident | 74.5 | Confident | 42.8 Ų | 42.8 | 21.4 Ų | 21.4 | 20% | 0.2 | 10% | 0.103 | C | C | . | . | trans | -85.6 | 51.1 | 177.9 | -69.9 | -83.9 | 174.2 | 0 | 0 | 111.3 | H1441 K1471 F1487 A1490 D1494 I1495 | H1441-E1492 IonicContact CE1-OE1 2.81Å; H1441-E1492 IonicContact CE1-OE2 2.67Å; H1441-E1492 PolarHBondContact CE1-OE2 2.87Å; H1441-E1492 IonicContact ND1-OE1 2.72Å; H1441-E1492 IonicContact NE2-OE2 2.8Å; K1471-E1492 HydrophobicContact CD-CG 4.31Å; K1471-E1492 WeakPolarHBondContact CE-OE1 3.35Å; K1471-E1492 HydrophobicContact CG-CG 4.25Å; K1471-E1492 IonicContact NZ-OE1 3.43Å; K1471-E1492 PolarHBondContact NZ-OE1 3.14Å; F1487-E1492 HydrophobicContact CD1-CB 4.12Å; F1487-E1492 HydrophobicContact CD1-CG 4.45Å; F1487-E1492 PolarHBondContact O-N 3.19Å; F1487-E1492 VanDerWaalsContact O-N 3.11Å; A1490-E1492 HydrophobicContact CB-CB 4.4Å; A1490-E1492 HydrophobicContact CB-CG 4.12Å; A1490-E1492 PolarHBondContact O-N 3.01Å; A1490-E1492 VanDerWaalsContact O-N 3.12Å; E1492-D1494 VanDerWaalsContact C-N 3.26Å; E1492-D1494 PolarHBondContact O-N 3.36Å; E1492-D1494 VanDerWaalsContact O-N 3.13Å; E1492-I1495 HydrophobicContact CB-CD1 3.94Å; E1492-I1495 HydrophobicContact CB-CG1 4.27Å; E1492-I1495 HydrophobicContact CG-CD1 4.31Å; E1492-I1495 WeakPolarHBondContact O-CB 3.4Å; E1492-I1495 PolarHBondContact O-N 3.2Å; E1492-I1495 VanDerWaalsContact O-N 3.15Å; E1492-I1495 WeakPolarHBondContact OE2-CD1 3.26Å | ||
| 1493 | L | 73.8 | Confident | 74.8 | Confident | 8.4 Ų | 8.4 | 20.6 Ų | 20.6 | 4% | 0.044 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.1 | -24.7 | -172.4 | -54.9 | -179.1 | 0 | 0 | 0 | 112.8 | L1488 D1491 I1495 I1496 C1497 K1534 W1535 K1538 | L1488-L1493 HydrophobicContact CD1-CD2 3.93Å; L1488-L1493 HydrophobicContact CG-CD2 4.27Å; D1491-L1493 PolarHBondContact O-N 3.1Å; D1491-L1493 VanDerWaalsContact O-N 3.17Å; D1491-L1493 WeakPolarHBondContact OD1-CD1 3.47Å; L1493-I1495 VanDerWaalsContact C-N 3.32Å; L1493-I1495 PolarHBondContact O-N 3.2Å; L1493-I1496 HydrophobicContact CD2-CD1 4.28Å; L1493-I1496 PolarHBondContact O-N 3.09Å; L1493-C1497 PolarHBondContact O-N 3.26Å; L1493-C1497 VanDerWaalsContact O-N 3.12Å; L1493-C1497 PolarHBondContact O-SG 3.06Å; L1493-C1497 VanDerWaalsContact O-SG 3.39Å; L1493-K1534 HydrophobicContact CD1-CB 4.36Å; L1493-W1535 HydrophobicContact CB-CE3 4.24Å; L1493-W1535 HydrophobicContact CB-CZ3 4.11Å; L1493-W1535 HydrophobicContact CD1-CE3 4.3Å; L1493-W1535 HydrophobicContact CD2-CE3 3.83Å; L1493-W1535 VanDerWaalsContact CD2-CE3 3.43Å; L1493-W1535 HydrophobicContact CD2-CZ3 4.17Å; L1493-W1535 HydrophobicContact CG-CE3 4.33Å; L1493-W1535 HydrophobicContact CG-CZ3 4.44Å; L1493-K1538 HydrophobicContact CB-CB 4.36Å; L1493-K1538 HydrophobicContact CB-CD 4.04Å; L1493-K1538 HydrophobicContact CB-CG 3.74Å; L1493-K1538 HydrophobicContact CD1-CB 3.63Å; L1493-K1538 HydrophobicContact CD1-CD 4.17Å; L1493-K1538 HydrophobicContact CD1-CG 3.99Å; L1493-K1538 HydrophobicContact CG-CD 4.26Å; L1493-K1538 HydrophobicContact CG-CG 4.43Å |
| 1494 | D | 73.2 | Confident | 74.8 | Confident | 59.8 Ų | 59.8 | 21.8 Ų | 21.8 | 32% | 0.32 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.2 | -64.9 | -45.2 | 0 | 0 | 0 | 111.7 | E1492 I1496 C1497 H1498 K1538 | E1492-D1494 VanDerWaalsContact C-N 3.26Å; E1492-D1494 PolarHBondContact O-N 3.36Å; E1492-D1494 VanDerWaalsContact O-N 3.13Å; D1494-I1496 VanDerWaalsContact C-N 3.33Å; D1494-I1496 PolarHBondContact O-N 3.03Å; D1494-C1497 WeakPolarHBondContact O-CB 3.49Å; D1494-C1497 PolarHBondContact O-N 3.17Å; D1494-H1498 PolarHBondContact O-CD2 3.14Å; D1494-H1498 VanDerWaalsContact O-CD2 3.23Å; D1494-H1498 PolarHBondContact O-N 3.26Å; D1494-K1538 VanDerWaalsContact CG-NZ 3.27Å; D1494-K1538 WeakPolarHBondContact OD1-CE 3.3Å; D1494-K1538 IonicContact OD1-NZ 3.36Å; D1494-K1538 PolarHBondContact OD1-NZ 3.31Å; D1494-K1538 WeakPolarHBondContact OD2-CE 2.97Å; D1494-K1538 IonicContact OD2-NZ 3.07Å; D1494-K1538 PolarHBondContact OD2-NZ 3.12Å |
| 1495 | I | 73.5 | Confident | 75 | Confident | 12.8 Ų | 12.8 | 21.8 Ų | 21.8 | 7% | 0.066 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.6 | -57.5 | -178 | 0 | 0 | 0 | 110 | W1331 L1334 F1487 E1492 L1493 C1497 H1498 L1499 | W1331-I1495 HydrophobicContact CE3-CD1 3.77Å; W1331-I1495 HydrophobicContact CZ3-CD1 3.71Å; L1334-I1495 HydrophobicContact CB-CG1 4.34Å; L1334-I1495 HydrophobicContact CB-CG2 4.44Å; L1334-I1495 HydrophobicContact CD1-CG2 4.1Å; F1487-I1495 HydrophobicContact CD1-CD1 4.16Å; F1487-I1495 HydrophobicContact CD1-CG2 4.48Å; F1487-I1495 HydrophobicContact CD2-CG2 4.3Å; F1487-I1495 HydrophobicContact CE1-CD1 3.92Å; F1487-I1495 HydrophobicContact CE1-CG2 4.37Å; F1487-I1495 HydrophobicContact CE2-CG2 4.33Å; F1487-I1495 HydrophobicContact CG-CG2 4.44Å; F1487-I1495 HydrophobicContact CZ-CD1 4.45Å; F1487-I1495 HydrophobicContact CZ-CG2 4.37Å; E1492-I1495 HydrophobicContact CB-CD1 3.94Å; E1492-I1495 HydrophobicContact CB-CG1 4.27Å; E1492-I1495 HydrophobicContact CG-CD1 4.31Å; E1492-I1495 WeakPolarHBondContact O-CB 3.4Å; E1492-I1495 PolarHBondContact O-N 3.2Å; E1492-I1495 VanDerWaalsContact O-N 3.15Å; E1492-I1495 WeakPolarHBondContact OE2-CD1 3.26Å; L1493-I1495 VanDerWaalsContact C-N 3.32Å; L1493-I1495 PolarHBondContact O-N 3.2Å; I1495-C1497 VanDerWaalsContact C-N 3.32Å; I1495-C1497 PolarHBondContact O-N 3.19Å; I1495-H1498 PolarHBondContact O-N 3.04Å; I1495-H1498 VanDerWaalsContact O-N 3.17Å; I1495-L1499 HydrophobicContact CG2-CD1 4.06Å; I1495-L1499 HydrophobicContact CG2-CG 4.41Å; I1495-L1499 WeakPolarHBondContact O-CB 3.21Å; I1495-L1499 VanDerWaalsContact O-CG 3.29Å; I1495-L1499 WeakPolarHBondContact O-CG 3.32Å; I1495-L1499 PolarHBondContact O-N 3.37Å |
| 1496 | I | 75.5 | Confident | 75.3 | Confident | 2.2 Ų | 2.2 | 19.1 Ų | 19.1 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.8 | -54.1 | 178.1 | 0 | 0 | 0 | 110.4 | L1484 F1487 L1488 L1493 D1494 H1498 L1499 L1500 F1520 W1535 | L1484-I1496 HydrophobicContact CD2-CG1 4.38Å; L1484-I1496 HydrophobicContact CD2-CG2 4.13Å; F1487-I1496 HydrophobicContact CB-CD1 3.95Å; F1487-I1496 HydrophobicContact CB-CG1 3.87Å; F1487-I1496 HydrophobicContact CG-CG1 4.43Å; L1488-I1496 HydrophobicContact CB-CD1 4.03Å; L1488-I1496 HydrophobicContact CD1-CD1 3.97Å; L1488-I1496 HydrophobicContact CG-CD1 4.46Å; L1493-I1496 HydrophobicContact CD2-CD1 4.28Å; L1493-I1496 PolarHBondContact O-N 3.09Å; D1494-I1496 VanDerWaalsContact C-N 3.33Å; D1494-I1496 PolarHBondContact O-N 3.03Å; I1496-H1498 VanDerWaalsContact C-N 3.32Å; I1496-H1498 PolarHBondContact O-N 3.09Å; I1496-L1499 PolarHBondContact O-N 3.18Å; I1496-L1500 HydrophobicContact CG2-CD1 4.03Å; I1496-L1500 HydrophobicContact CG2-CG 4.27Å; I1496-L1500 WeakPolarHBondContact O-CB 3.31Å; I1496-L1500 VanDerWaalsContact O-CG 3.3Å; I1496-L1500 WeakPolarHBondContact O-CG 3.31Å; I1496-L1500 PolarHBondContact O-N 3.18Å; I1496-F1520 HydrophobicContact CD1-CE1 4.17Å; I1496-F1520 HydrophobicContact CG2-CD1 3.87Å; I1496-F1520 HydrophobicContact CG2-CE1 4.02Å; I1496-W1535 HydrophobicContact CB-CH2 3.87Å; I1496-W1535 HydrophobicContact CB-CZ3 3.93Å; I1496-W1535 HydrophobicContact CD1-CZ3 4.3Å; I1496-W1535 HydrophobicContact CG2-CH2 3.42Å; I1496-W1535 VanDerWaalsContact CG2-CH2 3.45Å; I1496-W1535 HydrophobicContact CG2-CZ2 4.13Å; I1496-W1535 HydrophobicContact CG2-CZ3 3.91Å |
| 1497 | C | 75.9 | Confident | 75.3 | Confident | 0.6 Ų | 0.6 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 174.8 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | L1493 D1494 I1495 L1500 T1501 C1542 F1544 I1548 | L1493-C1497 PolarHBondContact O-N 3.26Å; L1493-C1497 VanDerWaalsContact O-N 3.12Å; L1493-C1497 PolarHBondContact O-SG 3.06Å; L1493-C1497 VanDerWaalsContact O-SG 3.39Å; D1494-C1497 WeakPolarHBondContact O-CB 3.49Å; D1494-C1497 PolarHBondContact O-N 3.17Å; I1495-C1497 VanDerWaalsContact C-N 3.32Å; I1495-C1497 PolarHBondContact O-N 3.19Å; C1497-L1500 PolarHBondContact O-N 2.7Å; C1497-T1501 WeakPolarHBondContact O-CG2 3.39Å; C1497-T1501 PolarHBondContact O-N 3.39Å; C1497-T1501 PolarHBondContact O-OG1 3.06Å; C1497-C1542 PolarHBondContact SG-SG 3.09Å; C1497-F1544 HydrophobicContact CB-CD2 3.97Å; C1497-F1544 HydrophobicContact CB-CE2 3.72Å; C1497-F1544 HydrophobicContact CB-CZ 3.62Å; C1497-F1544 VanDerWaalsContact CB-CZ 3.44Å; C1497-I1548 HydrophobicContact CB-CD1 4.11Å |
| 1498 | H | 74.9 | Confident | 75.2 | Confident | 17.6 Ų | 17.6 | 21.9 Ų | 21.9 | 8% | 0.081 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 175 | -77.8 | -61.2 | 0 | 0 | 0 | 113.1 | L1334 I1337 K1340 D1494 I1495 I1496 L1500 T1501 S1502 F1544 | L1334-H1498 HydrophobicContact CD2-CB 4.07Å; L1334-H1498 PolarHBondContact O-CD2 3.23Å; L1334-H1498 PolarHBondContact O-NE2 3.13Å; I1337-H1498 PolarHBondContact O-CE1 3.18Å; I1337-H1498 PolarHBondContact O-NE2 2.98Å; K1340-H1498 WeakPolarHBondContact CE-ND1 3.27Å; K1340-H1498 PolarHBondContact NZ-O 3.22Å; D1494-H1498 PolarHBondContact O-CD2 3.14Å; D1494-H1498 VanDerWaalsContact O-CD2 3.23Å; D1494-H1498 PolarHBondContact O-N 3.26Å; I1495-H1498 PolarHBondContact O-N 3.04Å; I1495-H1498 VanDerWaalsContact O-N 3.17Å; I1496-H1498 VanDerWaalsContact C-N 3.32Å; I1496-H1498 PolarHBondContact O-N 3.09Å; H1498-L1500 VanDerWaalsContact C-N 3.3Å; H1498-L1500 PolarHBondContact O-N 3.32Å; H1498-T1501 WeakPolarHBondContact CA-OG1 3.38Å; H1498-T1501 PolarHBondContact O-N 3.15Å; H1498-T1501 VanDerWaalsContact O-N 3.16Å; H1498-T1501 PolarHBondContact O-OG1 3.3Å; H1498-S1502 PolarHBondContact O-N 3.08Å; H1498-F1544 AromaticContact CE1-CE1 3.74Å; H1498-F1544 VanDerWaalsContact CE1-CE1 3.49Å; H1498-F1544 WeakPolarHBondContact CE1-CE1 3.49Å; H1498-F1544 AromaticContact CE1-CE2 3.5Å; H1498-F1544 WeakPolarHBondContact CE1-CE2 3.38Å; H1498-F1544 AromaticContact CE1-CZ 3.53Å; H1498-F1544 VanDerWaalsContact CE1-CZ 3.45Å; H1498-F1544 WeakPolarHBondContact CE1-CZ 3.4Å; H1498-F1544 AromaticContact ND1-CE2 3.76Å; H1498-F1544 AromaticContact ND1-CZ 3.74Å; H1498-F1544 AromaticContact NE2-CE2 3.79Å; H1498-F1544 AromaticContact NE2-CZ 3.9Å |
| 1499 | L | 76.1 | Confident | 75.2 | Confident | 2.8 Ų | 2.8 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 175.9 | -71.6 | 170.9 | 0 | 0 | 0 | 111.6 | I1354 F1357 L1473 L1484 F1487 I1495 I1496 T1501 S1502 F1505 | I1354-L1499 HydrophobicContact CG1-CD2 4.44Å; I1354-L1499 HydrophobicContact CG2-CD2 3.94Å; F1357-L1499 HydrophobicContact CD1-CD2 4.37Å; F1357-L1499 HydrophobicContact CE1-CD1 4.38Å; F1357-L1499 HydrophobicContact CE1-CD2 4.4Å; L1473-L1499 HydrophobicContact CB-CD2 4.5Å; L1473-L1499 HydrophobicContact CD1-CD2 4.32Å; L1484-L1499 HydrophobicContact CD2-CD1 4.16Å; F1487-L1499 HydrophobicContact CD2-CD1 4.36Å; F1487-L1499 HydrophobicContact CE2-CD1 4.35Å; I1495-L1499 HydrophobicContact CG2-CD1 4.06Å; I1495-L1499 HydrophobicContact CG2-CG 4.41Å; I1495-L1499 WeakPolarHBondContact O-CB 3.21Å; I1495-L1499 VanDerWaalsContact O-CG 3.29Å; I1495-L1499 WeakPolarHBondContact O-CG 3.32Å; I1495-L1499 PolarHBondContact O-N 3.37Å; I1496-L1499 PolarHBondContact O-N 3.18Å; L1499-T1501 PolarHBondContact O-N 3.16Å; L1499-T1501 VanDerWaalsContact O-N 3.1Å; L1499-S1502 WeakPolarHBondContact O-CB 3.35Å; L1499-S1502 PolarHBondContact O-N 3.25Å; L1499-F1505 VanDerWaalsContact C-CD1 3.46Å; L1499-F1505 HydrophobicContact CB-CD1 3.99Å; L1499-F1505 HydrophobicContact CB-CD2 4.11Å; L1499-F1505 HydrophobicContact CB-CE1 3.88Å; L1499-F1505 HydrophobicContact CB-CE2 4.01Å; L1499-F1505 HydrophobicContact CB-CG 4.06Å; L1499-F1505 HydrophobicContact CB-CZ 3.86Å; L1499-F1505 HydrophobicContact CD1-CD2 4.5Å; L1499-F1505 HydrophobicContact CD1-CE2 4.13Å; L1499-F1505 HydrophobicContact CD1-CZ 4.28Å; L1499-F1505 HydrophobicContact CD2-CD2 3.91Å; L1499-F1505 HydrophobicContact CD2-CE2 4.21Å; L1499-F1505 HydrophobicContact CD2-CG 4.31Å; L1499-F1505 HydrophobicContact CG-CD2 4.35Å; L1499-F1505 HydrophobicContact CG-CE2 4.28Å; L1499-F1505 HydrophobicContact CG-CZ 4.36Å; L1499-F1505 WeakPolarHBondContact O-CB 3.34Å; L1499-F1505 WeakPolarHBondContact O-CD1 3.38Å; L1499-F1505 WeakPolarHBondContact O-CG 3.34Å |
| 1500 | L | 76.7 | Confident | 75.1 | Confident | 3.6 Ų | 3.6 | 18.5 Ų | 18.5 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -16.1 | 176.9 | -71.6 | 172.6 | 0 | 0 | 0 | 113.9 | I1496 C1497 H1498 F1505 I1506 L1517 F1520 L1521 W1535 | I1496-L1500 HydrophobicContact CG2-CD1 4.03Å; I1496-L1500 HydrophobicContact CG2-CG 4.27Å; I1496-L1500 WeakPolarHBondContact O-CB 3.31Å; I1496-L1500 VanDerWaalsContact O-CG 3.3Å; I1496-L1500 WeakPolarHBondContact O-CG 3.31Å; I1496-L1500 PolarHBondContact O-N 3.18Å; C1497-L1500 PolarHBondContact O-N 2.7Å; H1498-L1500 VanDerWaalsContact C-N 3.3Å; H1498-L1500 PolarHBondContact O-N 3.32Å; L1500-F1505 HydrophobicContact CD2-CE1 4.24Å; L1500-F1505 HydrophobicContact CG-CE1 4.48Å; L1500-I1506 VanDerWaalsContact O-CD1 3.31Å; L1500-I1506 WeakPolarHBondContact O-CD1 3.26Å; L1500-L1517 HydrophobicContact CD2-CD1 4Å; L1500-F1520 HydrophobicContact CD1-CB 4.23Å; L1500-F1520 HydrophobicContact CD2-CB 4.17Å; L1500-L1521 HydrophobicContact CD2-CD2 4.23Å; L1500-L1521 HydrophobicContact CD2-CG 4.47Å; L1500-W1535 HydrophobicContact CD1-CH2 3.95Å; L1500-W1535 HydrophobicContact CD1-CZ2 3.74Å |
| 1501 | T | 75.8 | Confident | 74.9 | Confident | 7.2 Ų | 7.2 | 25.6 Ų | 25.6 | 4% | 0.044 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -4 | 173.1 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | K1340 C1497 H1498 L1499 P1503 F1544 K1547 I1548 M1551 W1581 | K1340-T1501 WeakPolarHBondContact CE-OG1 3.4Å; K1340-T1501 VanDerWaalsContact NZ-C 3.3Å; K1340-T1501 PolarHBondContact NZ-O 2.88Å; K1340-T1501 PolarHBondContact NZ-OG1 3.28Å; C1497-T1501 WeakPolarHBondContact O-CG2 3.39Å; C1497-T1501 PolarHBondContact O-N 3.39Å; C1497-T1501 PolarHBondContact O-OG1 3.06Å; H1498-T1501 WeakPolarHBondContact CA-OG1 3.38Å; H1498-T1501 PolarHBondContact O-N 3.15Å; H1498-T1501 VanDerWaalsContact O-N 3.16Å; H1498-T1501 PolarHBondContact O-OG1 3.3Å; L1499-T1501 PolarHBondContact O-N 3.16Å; L1499-T1501 VanDerWaalsContact O-N 3.1Å; T1501-P1503 WeakPolarHBondContact O-CD 3.25Å; T1501-F1544 HydrophobicContact CG2-CB 4.21Å; T1501-F1544 HydrophobicContact CG2-CD1 4.41Å; T1501-F1544 HydrophobicContact CG2-CD2 4.18Å; T1501-F1544 HydrophobicContact CG2-CE2 4.11Å; T1501-F1544 HydrophobicContact CG2-CG 3.97Å; T1501-K1547 HydrophobicContact CG2-CB 4.32Å; T1501-I1548 HydrophobicContact CG2-CB 4.44Å; T1501-I1548 HydrophobicContact CG2-CD1 4.41Å; T1501-I1548 HydrophobicContact CG2-CG1 3.6Å; T1501-M1551 WeakPolarHBondContact O-CE 3.43Å; T1501-W1581 HydrophobicContact CG2-CH2 4.04Å; T1501-W1581 HydrophobicContact CG2-CZ2 4.07Å |
| 1502 | S | 77.9 | Confident | 74.6 | Confident | 0.8 Ų | 0.8 | 25.8 Ų | 25.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -90.3 | 121.2 | 178.3 | 157.1 | 0 | 0 | 0 | 0 | 111.3 | E1351 I1354 H1498 L1499 M1504 F1505 I1506 | E1351-S1502 VanDerWaalsContact CD-OG 3.28Å; E1351-S1502 VanDerWaalsContact OE1-CA 3.23Å; E1351-S1502 WeakPolarHBondContact OE1-CA 3.29Å; E1351-S1502 WeakPolarHBondContact OE1-CB 3.32Å; E1351-S1502 PolarHBondContact OE1-OG 3.06Å; E1351-S1502 VanDerWaalsContact OE1-OG 3.14Å; E1351-S1502 WeakPolarHBondContact OE2-CB 3.37Å; E1351-S1502 PolarHBondContact OE2-OG 3.12Å; I1354-S1502 WeakPolarHBondContact CG2-OG 3.27Å; H1498-S1502 PolarHBondContact O-N 3.08Å; L1499-S1502 WeakPolarHBondContact O-CB 3.35Å; L1499-S1502 PolarHBondContact O-N 3.25Å; S1502-M1504 VanDerWaalsContact C-N 3.31Å; S1502-M1504 PolarHBondContact O-N 3.15Å; S1502-M1504 PolarHBondContact OG-N 3.1Å; S1502-F1505 WeakPolarHBondContact O-CB 3.19Å; S1502-F1505 PolarHBondContact O-N 3.14Å; S1502-F1505 WeakPolarHBondContact OG-CB 3.23Å; S1502-F1505 PolarHBondContact OG-N 3.09Å; S1502-I1506 WeakPolarHBondContact O-CD1 3.32Å; S1502-I1506 WeakPolarHBondContact O-CG1 3.29Å; S1502-I1506 PolarHBondContact O-N 3.01Å; S1502-I1506 VanDerWaalsContact O-N 3.07Å | ||
| 1503 | P | 75.7 | Confident | 74.3 | Confident | 7.6 Ų | 7.6 | 27.8 Ų | 27.8 | 5% | 0.049 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 174.4 | 6.5 | -9.8 | 0 | 0 | 0 | 113 | E1351 T1501 F1505 I1506 C1507 M1551 F1569 A1584 L1585 S1588 L1589 | E1351-P1503 WeakPolarHBondContact OE1-CD 3.11Å; E1351-P1503 WeakPolarHBondContact OE2-CD 3.36Å; T1501-P1503 WeakPolarHBondContact O-CD 3.25Å; P1503-F1505 VanDerWaalsContact C-N 3.32Å; P1503-F1505 PolarHBondContact O-N 3.18Å; P1503-I1506 PolarHBondContact O-N 3.08Å; P1503-C1507 WeakPolarHBondContact O-CB 3.4Å; P1503-C1507 PolarHBondContact O-N 3.23Å; P1503-C1507 PolarHBondContact O-SG 3.03Å; P1503-M1551 HydrophobicContact CB-CE 4.12Å; P1503-M1551 HydrophobicContact CG-CE 4.23Å; P1503-F1569 HydrophobicContact CB-CD1 3.68Å; P1503-F1569 HydrophobicContact CB-CD2 4.45Å; P1503-F1569 HydrophobicContact CB-CE1 3.42Å; P1503-F1569 VanDerWaalsContact CB-CE1 3.41Å; P1503-F1569 HydrophobicContact CB-CE2 4.36Å; P1503-F1569 HydrophobicContact CB-CG 4.31Å; P1503-F1569 HydrophobicContact CB-CZ 3.81Å; P1503-F1569 HydrophobicContact CG-CD1 4.11Å; P1503-F1569 HydrophobicContact CG-CE1 4.11Å; P1503-F1569 VanDerWaalsContact CG-CE1 3.46Å; P1503-F1569 HydrophobicContact CG-CZ 3.83Å; P1503-A1584 HydrophobicContact CB-CB 4.38Å; P1503-A1584 HydrophobicContact CG-CB 3.7Å; P1503-L1585 HydrophobicContact CB-CB 4.45Å; P1503-L1585 HydrophobicContact CG-CB 4.3Å; P1503-L1585 HydrophobicContact CG-CD1 4.24Å; P1503-L1585 HydrophobicContact CG-CD2 4.14Å; P1503-L1585 HydrophobicContact CG-CG 4.32Å; P1503-S1588 WeakPolarHBondContact CB-OG 3.19Å; P1503-L1589 HydrophobicContact CB-CD1 3.48Å; P1503-L1589 VanDerWaalsContact CB-CD1 3.47Å; P1503-L1589 HydrophobicContact CB-CD2 4.19Å; P1503-L1589 HydrophobicContact CB-CG 4.34Å; P1503-L1589 HydrophobicContact CG-CD1 3.51Å; P1503-L1589 VanDerWaalsContact CG-CD1 3.49Å; P1503-L1589 HydrophobicContact CG-CD2 4.01Å; P1503-L1589 HydrophobicContact CG-CG 3.81Å |
| 1504 | M | 74 | Confident | 73.9 | Confident | 48.2 Ų | 48.2 | 29.2 Ų | 29.2 | 24% | 0.237 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 178.1 | -103.4 | 165.8 | 107.6 | 0 | 0 | 112 | E1351 N1355 A1474 S1502 C1507 R1508 S1588 L1589 L1592 | E1351-M1504 WeakPolarHBondContact OE2-CG 3.16Å; E1351-M1504 PolarHBondContact OE2-N 3.14Å; N1355-M1504 HydrophobicContact CB-CE 3.97Å; N1355-M1504 HydrophobicContact CB-CG 4.26Å; N1355-M1504 HydrophobicContact CB-SD 3.71Å; N1355-M1504 VanDerWaalsContact OD1-CE 3.28Å; N1355-M1504 WeakPolarHBondContact OD1-CE 3.24Å; A1474-M1504 HydrophobicContact CB-CB 3.92Å; A1474-M1504 HydrophobicContact CB-CG 3.89Å; S1502-M1504 VanDerWaalsContact C-N 3.31Å; S1502-M1504 PolarHBondContact O-N 3.15Å; S1502-M1504 PolarHBondContact OG-N 3.1Å; M1504-C1507 PolarHBondContact O-N 2.97Å; M1504-R1508 WeakPolarHBondContact O-CB 3.19Å; M1504-R1508 PolarHBondContact O-N 3.28Å; M1504-R1508 VanDerWaalsContact O-N 3.12Å; M1504-S1588 VanDerWaalsContact SD-CB 3.56Å; M1504-L1589 HydrophobicContact CE-CD2 3.35Å; M1504-L1589 HydrophobicContact CG-CD2 3.73Å; M1504-L1589 HydrophobicContact SD-CD2 4.34Å; M1504-L1592 HydrophobicContact CG-CD1 4.26Å; M1504-L1592 HydrophobicContact SD-CD1 3.43Å; M1504-L1592 WeakPolarHBondContact SD-CD1 3.34Å; M1504-L1592 HydrophobicContact SD-CD2 4.07Å; M1504-L1592 HydrophobicContact SD-CG 3.48Å; M1504-L1592 WeakPolarHBondContact SD-CG 3.49Å |
| 1505 | F | 77.1 | Confident | 73.4 | Confident | 2.4 Ų | 2.4 | 29.1 Ų | 29.1 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.1 | 178.4 | -101.5 | 0 | 0 | 0 | 111.9 | I1354 I1358 L1480 L1484 L1499 L1500 S1502 P1503 C1507 R1508 I1509 | I1354-F1505 HydrophobicContact CG2-CB 4.39Å; I1358-F1505 HydrophobicContact CD1-CB 3.87Å; I1358-F1505 HydrophobicContact CD1-CD2 3.96Å; I1358-F1505 HydrophobicContact CD1-CG 4.44Å; I1358-F1505 HydrophobicContact CG1-CD2 4.33Å; L1480-F1505 HydrophobicContact CD1-CD2 4.1Å; L1480-F1505 HydrophobicContact CD1-CE2 3.87Å; L1480-F1505 HydrophobicContact CD2-CD2 4Å; L1480-F1505 HydrophobicContact CD2-CE2 3.71Å; L1480-F1505 VanDerWaalsContact CD2-CE2 3.42Å; L1480-F1505 HydrophobicContact CD2-CZ 4.26Å; L1480-F1505 HydrophobicContact CG-CD2 4.41Å; L1480-F1505 HydrophobicContact CG-CE2 3.97Å; L1484-F1505 HydrophobicContact CD1-CE1 4.32Å; L1484-F1505 HydrophobicContact CD1-CE2 4.19Å; L1484-F1505 HydrophobicContact CD1-CZ 3.7Å; L1484-F1505 HydrophobicContact CD2-CE1 4.41Å; L1484-F1505 HydrophobicContact CD2-CE2 4.19Å; L1484-F1505 HydrophobicContact CD2-CZ 3.7Å; L1484-F1505 HydrophobicContact CG-CE2 4.34Å; L1484-F1505 HydrophobicContact CG-CZ 4.01Å; L1499-F1505 VanDerWaalsContact C-CD1 3.46Å; L1499-F1505 HydrophobicContact CB-CD1 3.99Å; L1499-F1505 HydrophobicContact CB-CD2 4.11Å; L1499-F1505 HydrophobicContact CB-CE1 3.88Å; L1499-F1505 HydrophobicContact CB-CE2 4.01Å; L1499-F1505 HydrophobicContact CB-CG 4.06Å; L1499-F1505 HydrophobicContact CB-CZ 3.86Å; L1499-F1505 HydrophobicContact CD1-CD2 4.5Å; L1499-F1505 HydrophobicContact CD1-CE2 4.13Å; L1499-F1505 HydrophobicContact CD1-CZ 4.28Å; L1499-F1505 HydrophobicContact CD2-CD2 3.91Å; L1499-F1505 HydrophobicContact CD2-CE2 4.21Å; L1499-F1505 HydrophobicContact CD2-CG 4.31Å; L1499-F1505 HydrophobicContact CG-CD2 4.35Å; L1499-F1505 HydrophobicContact CG-CE2 4.28Å; L1499-F1505 HydrophobicContact CG-CZ 4.36Å; L1499-F1505 WeakPolarHBondContact O-CB 3.34Å; L1499-F1505 WeakPolarHBondContact O-CD1 3.38Å; L1499-F1505 WeakPolarHBondContact O-CG 3.34Å; L1500-F1505 HydrophobicContact CD2-CE1 4.24Å; L1500-F1505 HydrophobicContact CG-CE1 4.48Å; S1502-F1505 WeakPolarHBondContact O-CB 3.19Å; S1502-F1505 PolarHBondContact O-N 3.14Å; S1502-F1505 WeakPolarHBondContact OG-CB 3.23Å; S1502-F1505 PolarHBondContact OG-N 3.09Å; P1503-F1505 VanDerWaalsContact C-N 3.32Å; P1503-F1505 PolarHBondContact O-N 3.18Å; F1505-C1507 VanDerWaalsContact C-N 3.32Å; F1505-C1507 PolarHBondContact O-N 3.01Å; F1505-R1508 PolarHBondContact O-N 2.94Å; F1505-I1509 HydrophobicContact CD1-CD1 3.92Å; F1505-I1509 HydrophobicContact CD1-CG1 4.47Å; F1505-I1509 HydrophobicContact CD2-CD1 4.37Å; F1505-I1509 HydrophobicContact CE1-CD1 3.28Å; F1505-I1509 HydrophobicContact CE1-CG1 4.31Å; F1505-I1509 HydrophobicContact CE2-CD1 3.9Å; F1505-I1509 HydrophobicContact CE2-CG1 4.3Å; F1505-I1509 HydrophobicContact CG-CD1 4.4Å; F1505-I1509 HydrophobicContact CZ-CD1 3.29Å; F1505-I1509 VanDerWaalsContact CZ-CD1 3.49Å; F1505-I1509 HydrophobicContact CZ-CG1 4.23Å; F1505-I1509 WeakPolarHBondContact O-CG1 3.43Å; F1505-I1509 PolarHBondContact O-N 3.16Å |
| 1506 | I | 79 | Confident | 73.2 | Confident | 1.2 Ų | 1.2 | 29.6 Ų | 29.6 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 178.4 | -72.4 | 161.2 | 0 | 0 | 0 | 111.6 | L1500 S1502 P1503 R1508 I1509 L1510 L1517 M1551 I1555 F1569 L1585 | L1500-I1506 VanDerWaalsContact O-CD1 3.31Å; L1500-I1506 WeakPolarHBondContact O-CD1 3.26Å; S1502-I1506 WeakPolarHBondContact O-CD1 3.32Å; S1502-I1506 WeakPolarHBondContact O-CG1 3.29Å; S1502-I1506 PolarHBondContact O-N 3.01Å; S1502-I1506 VanDerWaalsContact O-N 3.07Å; P1503-I1506 PolarHBondContact O-N 3.08Å; I1506-R1508 VanDerWaalsContact C-N 3.29Å; I1506-R1508 PolarHBondContact O-N 3.13Å; I1506-I1509 PolarHBondContact O-N 3.09Å; I1506-L1510 HydrophobicContact CG2-CD1 3.74Å; I1506-L1510 HydrophobicContact CG2-CG 4.25Å; I1506-L1510 VanDerWaalsContact O-CB 3.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.34Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.36Å; I1506-L1510 PolarHBondContact O-N 3.16Å; I1506-L1517 HydrophobicContact CG1-CD1 4.3Å; I1506-L1517 HydrophobicContact CG1-CD2 4.34Å; I1506-L1517 HydrophobicContact CG2-CD1 4.24Å; I1506-L1517 HydrophobicContact CG2-CD2 4.1Å; I1506-M1551 HydrophobicContact CD1-CE 3.66Å; I1506-M1551 HydrophobicContact CD1-CG 3.43Å; I1506-M1551 VanDerWaalsContact CD1-CG 3.49Å; I1506-M1551 HydrophobicContact CD1-SD 3.68Å; I1506-M1551 VanDerWaalsContact CD1-SD 3.56Å; I1506-M1551 WeakPolarHBondContact CD1-SD 3.45Å; I1506-M1551 HydrophobicContact CG1-CE 4.49Å; I1506-I1555 HydrophobicContact CD1-CD1 3.87Å; I1506-I1555 HydrophobicContact CG1-CD1 4.23Å; I1506-I1555 HydrophobicContact CG2-CD1 3.94Å; I1506-I1555 HydrophobicContact CG2-CG1 4.26Å; I1506-F1569 HydrophobicContact CG2-CE2 4.4Å; I1506-L1585 HydrophobicContact CB-CD1 4.42Å; I1506-L1585 HydrophobicContact CD1-CD1 4.26Å; I1506-L1585 HydrophobicContact CG2-CD1 3.87Å |
| 1507 | C | 75.3 | Confident | 73.1 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 10% | 0.101 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | P1503 M1504 F1505 R1511 P1566 F1569 S1588 L1589 L1592 | P1503-C1507 WeakPolarHBondContact O-CB 3.4Å; P1503-C1507 PolarHBondContact O-N 3.23Å; P1503-C1507 PolarHBondContact O-SG 3.03Å; M1504-C1507 PolarHBondContact O-N 2.97Å; F1505-C1507 VanDerWaalsContact C-N 3.32Å; F1505-C1507 PolarHBondContact O-N 3.01Å; C1507-R1511 WeakPolarHBondContact O-CB 3.28Å; C1507-R1511 PolarHBondContact O-N 3Å; C1507-R1511 VanDerWaalsContact O-N 3.12Å; C1507-P1566 HydrophobicContact CB-CB 4.23Å; C1507-P1566 WeakPolarHBondContact O-CB 3.43Å; C1507-P1566 PolarHBondContact SG-O 3.26Å; C1507-F1569 VanDerWaalsContact SG-CB 3.54Å; C1507-S1588 PolarHBondContact SG-OG 3.13Å; C1507-L1589 HydrophobicContact CB-CD2 3.71Å; C1507-L1589 HydrophobicContact CB-CG 4.15Å; C1507-L1589 WeakPolarHBondContact SG-CG 3.45Å; C1507-L1592 HydrophobicContact CB-CD1 3.21Å |
| 1508 | R | 73.2 | Confident | 72.8 | Confident | 73.6 Ų | 73.6 | 31.3 Ų | 31.3 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -71.7 | -42 | 177.1 | -166.9 | 149.9 | 179.7 | 173.8 | -9.1 | 112.3 | I1358 L1359 A1474 I1475 C1477 L1480 M1504 F1505 I1506 R1511 D1512 | I1358-R1508 HydrophobicContact CG2-CG 4.33Å; I1358-R1508 PolarHBondContact O-NH1 3.45Å; L1359-R1508 VanDerWaalsContact CD2-NH1 3.28Å; A1474-R1508 WeakPolarHBondContact O-CD 3.42Å; A1474-R1508 PolarHBondContact O-NH1 3.05Å; I1475-R1508 PolarHBondContact O-NH1 3.08Å; C1477-R1508 VanDerWaalsContact O-CZ 3.25Å; C1477-R1508 PolarHBondContact O-NH1 3.35Å; C1477-R1508 PolarHBondContact O-NH2 3.42Å; L1480-R1508 HydrophobicContact CD1-CB 4.14Å; L1480-R1508 HydrophobicContact CD1-CG 3.67Å; L1480-R1508 HydrophobicContact CD2-CB 4.41Å; L1480-R1508 HydrophobicContact CD2-CG 4.36Å; M1504-R1508 WeakPolarHBondContact O-CB 3.19Å; M1504-R1508 PolarHBondContact O-N 3.28Å; M1504-R1508 VanDerWaalsContact O-N 3.12Å; F1505-R1508 PolarHBondContact O-N 2.94Å; I1506-R1508 VanDerWaalsContact C-N 3.29Å; I1506-R1508 PolarHBondContact O-N 3.13Å; R1508-R1511 WeakPolarHBondContact O-CB 3.33Å; R1508-R1511 PolarHBondContact O-N 3.29Å; R1508-D1512 WeakPolarHBondContact CG-OD2 3.33Å; R1508-D1512 IonicContact CZ-OD2 2.74Å; R1508-D1512 IonicContact NE-OD2 3.12Å; R1508-D1512 PolarHBondContact NE-OD2 3.22Å; R1508-D1512 IonicContact NH2-OD1 3.55Å; R1508-D1512 IonicContact NH2-OD2 3.81Å; R1508-D1512 PolarHBondContact NH2-OD2 3.4Å; R1508-D1512 VanDerWaalsContact NH2-OD2 3.09Å; R1508-D1512 WeakPolarHBondContact O-CB 3.33Å; R1508-D1512 PolarHBondContact O-N 3.16Å |
| 1509 | I | 75.6 | Confident | 72.5 | Confident | 2.6 Ų | 2.6 | 34.9 Ų | 34.9 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 173.7 | -65.5 | -175.1 | 0 | 0 | 0 | 111.4 | L1480 L1484 F1505 I1506 R1511 D1512 Y1513 L1517 F1520 | L1480-I1509 HydrophobicContact CB-CG1 4.39Å; L1480-I1509 HydrophobicContact CD1-CG1 4.15Å; L1480-I1509 HydrophobicContact CD2-CD1 4.18Å; L1480-I1509 HydrophobicContact CD2-CG1 3.65Å; L1480-I1509 VanDerWaalsContact CD2-CG1 3.4Å; L1480-I1509 HydrophobicContact CG-CG1 4.46Å; L1484-I1509 HydrophobicContact CD1-CD1 3.87Å; L1484-I1509 VanDerWaalsContact CD1-CD1 3.43Å; L1484-I1509 HydrophobicContact CG-CD1 4.44Å; F1505-I1509 HydrophobicContact CD1-CD1 3.92Å; F1505-I1509 HydrophobicContact CD1-CG1 4.47Å; F1505-I1509 HydrophobicContact CD2-CD1 4.37Å; F1505-I1509 HydrophobicContact CE1-CD1 3.28Å; F1505-I1509 HydrophobicContact CE1-CG1 4.31Å; F1505-I1509 HydrophobicContact CE2-CD1 3.9Å; F1505-I1509 HydrophobicContact CE2-CG1 4.3Å; F1505-I1509 HydrophobicContact CG-CD1 4.4Å; F1505-I1509 HydrophobicContact CZ-CD1 3.29Å; F1505-I1509 VanDerWaalsContact CZ-CD1 3.49Å; F1505-I1509 HydrophobicContact CZ-CG1 4.23Å; F1505-I1509 WeakPolarHBondContact O-CG1 3.43Å; F1505-I1509 PolarHBondContact O-N 3.16Å; I1506-I1509 PolarHBondContact O-N 3.09Å; I1509-R1511 VanDerWaalsContact C-N 3.25Å; I1509-R1511 PolarHBondContact O-N 3.34Å; I1509-D1512 PolarHBondContact O-N 3.22Å; I1509-Y1513 WeakPolarHBondContact CG2-O 3.23Å; I1509-Y1513 CarbonylContact O-C 3.5Å; I1509-Y1513 VanDerWaalsContact O-CA 3.31Å; I1509-Y1513 WeakPolarHBondContact O-CA 3.36Å; I1509-Y1513 PolarHBondContact O-N 2.96Å; I1509-L1517 HydrophobicContact CB-CD1 4.21Å; I1509-L1517 HydrophobicContact CD1-CD1 4.32Å; I1509-L1517 HydrophobicContact CG2-CB 3.72Å; I1509-L1517 HydrophobicContact CG2-CD1 3.91Å; I1509-L1517 HydrophobicContact CG2-CG 4.34Å; I1509-F1520 HydrophobicContact CD1-CD2 4.49Å |
| 1510 | L | 72.8 | Confident | 72.2 | Confident | 5.8 Ų | 5.8 | 35.2 Ų | 35.2 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -33 | 175.9 | -76.1 | 169.4 | 0 | 0 | 0 | 112.4 | I1506 P1514 L1517 Y1559 L1562 V1563 P1566 | I1506-L1510 HydrophobicContact CG2-CD1 3.74Å; I1506-L1510 HydrophobicContact CG2-CG 4.25Å; I1506-L1510 VanDerWaalsContact O-CB 3.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.34Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.36Å; I1506-L1510 PolarHBondContact O-N 3.16Å; L1510-P1514 HydrophobicContact CD2-CB 4.11Å; L1510-P1514 WeakPolarHBondContact O-CB 3.24Å; L1510-L1517 HydrophobicContact CD1-CD2 4.37Å; L1510-L1517 HydrophobicContact CD2-CD2 3.54Å; L1510-L1517 VanDerWaalsContact CD2-CD2 3.41Å; L1510-L1517 HydrophobicContact CG-CD1 4.35Å; L1510-L1517 HydrophobicContact CG-CD2 3.67Å; L1510-Y1559 HydrophobicContact CD2-CD2 4.21Å; L1510-Y1559 HydrophobicContact CD2-CE2 4.1Å; L1510-L1562 HydrophobicContact CD1-CB 3.76Å; L1510-L1562 HydrophobicContact CD1-CD1 4.36Å; L1510-L1562 HydrophobicContact CD2-CB 4.41Å; L1510-V1563 HydrophobicContact CD2-CG2 3.92Å; L1510-P1566 HydrophobicContact CB-CB 4.37Å; L1510-P1566 HydrophobicContact CB-CG 4.28Å |
| 1511 | R | 68.5 | Low | 71.9 | Confident | 163 Ų | 163 | 35.4 Ų | 35.4 | 62% | 0.615 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -75.9 | -48.4 | 176.4 | -173.1 | -175.1 | 134.3 | 173.7 | 0.6 | 112.5 | C1507 R1508 I1509 P1566 L1592 | C1507-R1511 WeakPolarHBondContact O-CB 3.28Å; C1507-R1511 PolarHBondContact O-N 3Å; C1507-R1511 VanDerWaalsContact O-N 3.12Å; R1508-R1511 WeakPolarHBondContact O-CB 3.33Å; R1508-R1511 PolarHBondContact O-N 3.29Å; I1509-R1511 VanDerWaalsContact C-N 3.25Å; I1509-R1511 PolarHBondContact O-N 3.34Å; R1511-P1566 HydrophobicContact CB-CG 4.31Å; R1511-L1592 PolarHBondContact NH1-O 2.73Å |
| 1512 | D | 67.4 | Low | 71.5 | Confident | 63.4 Ų | 63.4 | 39.5 Ų | 39.5 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -89.6 | -39.2 | -169.6 | -60.9 | -17.7 | 0 | 0 | 0 | 111.7 | R1508 I1509 | R1508-D1512 WeakPolarHBondContact CG-OD2 3.33Å; R1508-D1512 IonicContact CZ-OD2 2.74Å; R1508-D1512 IonicContact NE-OD2 3.12Å; R1508-D1512 PolarHBondContact NE-OD2 3.22Å; R1508-D1512 IonicContact NH2-OD1 3.55Å; R1508-D1512 IonicContact NH2-OD2 3.81Å; R1508-D1512 PolarHBondContact NH2-OD2 3.4Å; R1508-D1512 VanDerWaalsContact NH2-OD2 3.09Å; R1508-D1512 WeakPolarHBondContact O-CB 3.33Å; R1508-D1512 PolarHBondContact O-N 3.16Å; I1509-D1512 PolarHBondContact O-N 3.22Å |
| 1513 | Y | 68.1 | Low | 70.9 | Confident | 86 Ų | 86 | 40 Ų | 40 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | trans | -145.4 | 66.4 | -174.6 | -56.6 | -70.1 | 0 | 0 | 0 | 113.9 | D1479 D1481 I1509 S1515 T1516 | D1479-Y1513 VanDerWaalsContact CG-OH 3.28Å; D1479-Y1513 VanDerWaalsContact OD1-CE2 3.23Å; D1479-Y1513 WeakPolarHBondContact OD1-CE2 3.35Å; D1479-Y1513 PolarHBondContact OD1-OH 3.09Å; D1479-Y1513 PolarHBondContact OD2-OH 3.02Å; D1481-Y1513 HydrophobicContact CB-CD1 4.5Å; D1481-Y1513 HydrophobicContact CB-CD2 4.24Å; D1481-Y1513 HydrophobicContact CB-CE2 4.37Å; D1481-Y1513 HydrophobicContact CB-CG 4.15Å; I1509-Y1513 WeakPolarHBondContact CG2-O 3.23Å; I1509-Y1513 CarbonylContact O-C 3.5Å; I1509-Y1513 VanDerWaalsContact O-CA 3.31Å; I1509-Y1513 WeakPolarHBondContact O-CA 3.36Å; I1509-Y1513 PolarHBondContact O-N 2.96Å; Y1513-S1515 VanDerWaalsContact C-N 3.27Å; Y1513-S1515 PolarHBondContact O-N 3.16Å; Y1513-S1515 VanDerWaalsContact O-N 3.11Å; Y1513-T1516 VanDerWaalsContact CB-OG1 3.26Å; Y1513-T1516 WeakPolarHBondContact CB-OG1 3.41Å; Y1513-T1516 PolarHBondContact O-N 3.1Å; Y1513-T1516 VanDerWaalsContact O-N 3.11Å; Y1513-T1516 PolarHBondContact O-OG1 3.11Å | ||
| 1514 | P | 65.3 | Low | 70.4 | Confident | 37.4 Ų | 37.4 | 41.4 Ų | 41.4 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -31.2 | -173.9 | 22.5 | -33.3 | 0 | 0 | 0 | 113.7 | L1510 T1516 L1517 M1518 Y1559 V1563 | L1510-P1514 HydrophobicContact CD2-CB 4.11Å; L1510-P1514 WeakPolarHBondContact O-CB 3.24Å; P1514-T1516 VanDerWaalsContact C-N 3.3Å; P1514-T1516 PolarHBondContact O-N 2.77Å; P1514-L1517 PolarHBondContact O-N 3.06Å; P1514-M1518 PolarHBondContact O-N 3.06Å; P1514-Y1559 HydrophobicContact CB-CE2 4.29Å; P1514-Y1559 WeakPolarHBondContact CB-OH 2.92Å; P1514-Y1559 WeakPolarHBondContact O-CE2 3.04Å; P1514-Y1559 PolarHBondContact O-OH 3Å; P1514-V1563 HydrophobicContact CB-CG1 4.13Å; P1514-V1563 HydrophobicContact CB-CG2 3.95Å; P1514-V1563 HydrophobicContact CG-CG1 4.4Å |
| 1515 | S | 63.9 | Low | 69.8 | Low | 58 Ų | 58 | 42.1 Ų | 42.1 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.7 | -22.6 | -179 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | D1107 Y1513 M1518 K1519 | D1107-S1515 WeakPolarHBondContact OD1-CB 3.24Å; D1107-S1515 WeakPolarHBondContact OD2-CB 3.26Å; Y1513-S1515 VanDerWaalsContact C-N 3.27Å; Y1513-S1515 PolarHBondContact O-N 3.16Å; Y1513-S1515 VanDerWaalsContact O-N 3.11Å; S1515-M1518 PolarHBondContact O-N 2.88Å; S1515-K1519 WeakPolarHBondContact O-CD 3.46Å; S1515-K1519 WeakPolarHBondContact O-CE 3.31Å; S1515-K1519 WeakPolarHBondContact O-CG 3.33Å; S1515-K1519 PolarHBondContact O-N 3.19Å; S1515-K1519 PolarHBondContact O-NZ 2.93Å |
| 1516 | T | 68 | Low | 69.2 | Low | 22.6 Ų | 22.6 | 42.7 Ų | 42.7 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.3 | -32.3 | -178.4 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | D1481 Y1513 P1514 M1518 K1519 F1520 | D1481-T1516 VanDerWaalsContact OD1-CB 3.29Å; D1481-T1516 WeakPolarHBondContact OD1-CB 3.4Å; D1481-T1516 WeakPolarHBondContact OD1-CG2 3.41Å; Y1513-T1516 VanDerWaalsContact CB-OG1 3.26Å; Y1513-T1516 WeakPolarHBondContact CB-OG1 3.41Å; Y1513-T1516 PolarHBondContact O-N 3.1Å; Y1513-T1516 VanDerWaalsContact O-N 3.11Å; Y1513-T1516 PolarHBondContact O-OG1 3.11Å; P1514-T1516 VanDerWaalsContact C-N 3.3Å; P1514-T1516 PolarHBondContact O-N 2.77Å; T1516-M1518 VanDerWaalsContact C-N 3.31Å; T1516-M1518 PolarHBondContact O-N 3.09Å; T1516-K1519 CarbonylContact O-C 3.55Å; T1516-K1519 WeakPolarHBondContact O-CA 3.38Å; T1516-K1519 VanDerWaalsContact O-CB 3.31Å; T1516-K1519 WeakPolarHBondContact O-CB 3.37Å; T1516-K1519 PolarHBondContact O-N 2.95Å; T1516-K1519 VanDerWaalsContact O-N 3.09Å; T1516-F1520 HydrophobicContact CG2-CD2 3.68Å; T1516-F1520 HydrophobicContact CG2-CE2 3.28Å; T1516-F1520 HydrophobicContact CG2-CZ 4.06Å; T1516-F1520 VanDerWaalsContact O-CD2 3.22Å; T1516-F1520 WeakPolarHBondContact O-CD2 3.29Å; T1516-F1520 PolarHBondContact O-N 3.21Å; T1516-F1520 VanDerWaalsContact O-N 3.08Å |
| 1517 | L | 72.9 | Confident | 68.4 | Low | 1.4 Ų | 1.4 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.9 | -47.6 | -179.9 | -173.5 | 76.1 | 0 | 0 | 0 | 113.2 | L1500 I1506 I1509 L1510 P1514 K1519 F1520 L1521 I1555 | L1500-L1517 HydrophobicContact CD2-CD1 4Å; I1506-L1517 HydrophobicContact CG1-CD1 4.3Å; I1506-L1517 HydrophobicContact CG1-CD2 4.34Å; I1506-L1517 HydrophobicContact CG2-CD1 4.24Å; I1506-L1517 HydrophobicContact CG2-CD2 4.1Å; I1509-L1517 HydrophobicContact CB-CD1 4.21Å; I1509-L1517 HydrophobicContact CD1-CD1 4.32Å; I1509-L1517 HydrophobicContact CG2-CB 3.72Å; I1509-L1517 HydrophobicContact CG2-CD1 3.91Å; I1509-L1517 HydrophobicContact CG2-CG 4.34Å; L1510-L1517 HydrophobicContact CD1-CD2 4.37Å; L1510-L1517 HydrophobicContact CD2-CD2 3.54Å; L1510-L1517 VanDerWaalsContact CD2-CD2 3.41Å; L1510-L1517 HydrophobicContact CG-CD1 4.35Å; L1510-L1517 HydrophobicContact CG-CD2 3.67Å; P1514-L1517 PolarHBondContact O-N 3.06Å; L1517-K1519 VanDerWaalsContact C-N 3.3Å; L1517-K1519 PolarHBondContact O-N 3.29Å; L1517-F1520 WeakPolarHBondContact O-CB 3.49Å; L1517-F1520 PolarHBondContact O-N 2.96Å; L1517-L1521 HydrophobicContact CD1-CD1 4.25Å; L1517-L1521 HydrophobicContact CD1-CG 4.43Å; L1517-L1521 HydrophobicContact CD2-CD1 3.69Å; L1517-L1521 HydrophobicContact CG-CD1 4.15Å; L1517-L1521 HydrophobicContact CG-CG 4.47Å; L1517-L1521 WeakPolarHBondContact O-CG 3.46Å; L1517-L1521 PolarHBondContact O-N 3.14Å; L1517-I1555 HydrophobicContact CD2-CB 4.46Å; L1517-I1555 HydrophobicContact CD2-CD1 4.11Å; L1517-I1555 VanDerWaalsContact CD2-CD1 3.5Å; L1517-I1555 HydrophobicContact CD2-CG1 4.46Å; L1517-I1555 HydrophobicContact CD2-CG2 3.95Å |
| 1518 | M | 70.3 | Confident | 68 | Low | 36.6 Ų | 36.6 | 53.2 Ų | 53.2 | 18% | 0.18 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -26 | 179.1 | -72.8 | -54.3 | -60.4 | 0 | 0 | 112.7 | P1514 S1515 T1516 L1521 N1522 I1555 C1556 Y1559 | P1514-M1518 PolarHBondContact O-N 3.06Å; S1515-M1518 PolarHBondContact O-N 2.88Å; T1516-M1518 VanDerWaalsContact C-N 3.31Å; T1516-M1518 PolarHBondContact O-N 3.09Å; M1518-L1521 HydrophobicContact SD-CD1 4.21Å; M1518-N1522 WeakPolarHBondContact O-CB 3.24Å; M1518-N1522 PolarHBondContact O-N 3.15Å; M1518-N1522 PolarHBondContact O-ND2 2.99Å; M1518-N1522 VanDerWaalsContact O-ND2 3.12Å; M1518-I1555 HydrophobicContact SD-CG2 4.08Å; M1518-C1556 VanDerWaalsContact CE-SG 3.58Å; M1518-C1556 WeakPolarHBondContact CE-SG 3.42Å; M1518-Y1559 HydrophobicContact CG-CD2 4.11Å; M1518-Y1559 HydrophobicContact CG-CE2 3.72Å; M1518-Y1559 HydrophobicContact SD-CD2 4.18Å; M1518-Y1559 HydrophobicContact SD-CE2 4.12Å |
| 1519 | K | 68.9 | Low | 67.8 | Low | 94.6 Ų | 94.6 | 58.4 Ų | 58.4 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.2 | -49.3 | 171.4 | -65.6 | 176.2 | -176.2 | 167.9 | 0 | 109.8 | D1107 S1515 T1516 L1517 L1521 N1522 G1523 Y1524 P1525 | D1107-K1519 WeakPolarHBondContact OD2-CE 3.43Å; D1107-K1519 IonicContact OD2-NZ 3.5Å; D1107-K1519 PolarHBondContact OD2-NZ 3.09Å; S1515-K1519 WeakPolarHBondContact O-CD 3.46Å; S1515-K1519 WeakPolarHBondContact O-CE 3.31Å; S1515-K1519 WeakPolarHBondContact O-CG 3.33Å; S1515-K1519 PolarHBondContact O-N 3.19Å; S1515-K1519 PolarHBondContact O-NZ 2.93Å; T1516-K1519 CarbonylContact O-C 3.55Å; T1516-K1519 WeakPolarHBondContact O-CA 3.38Å; T1516-K1519 VanDerWaalsContact O-CB 3.31Å; T1516-K1519 WeakPolarHBondContact O-CB 3.37Å; T1516-K1519 PolarHBondContact O-N 2.95Å; T1516-K1519 VanDerWaalsContact O-N 3.09Å; L1517-K1519 VanDerWaalsContact C-N 3.3Å; L1517-K1519 PolarHBondContact O-N 3.29Å; K1519-L1521 VanDerWaalsContact C-N 3.3Å; K1519-L1521 PolarHBondContact O-N 3.03Å; K1519-N1522 CarbonylContact O-C 3.49Å; K1519-N1522 WeakPolarHBondContact O-CA 3.45Å; K1519-N1522 PolarHBondContact O-N 3.38Å; K1519-G1523 CarbonylContact C-O 3.5Å; K1519-G1523 CarbonylContact O-C 3.52Å; K1519-G1523 VanDerWaalsContact O-C 3.31Å; K1519-G1523 PolarHBondContact O-N 3.14Å; K1519-G1523 VanDerWaalsContact O-N 3.16Å; K1519-Y1524 WeakPolarHBondContact CB-O 3.47Å; K1519-Y1524 CarbonylContact O-C 3.59Å; K1519-Y1524 PolarHBondContact O-N 2.73Å; K1519-P1525 HydrophobicContact CB-CG 4.46Å; K1519-P1525 HydrophobicContact CD-CG 4.08Å |
| 1520 | F | 70.7 | Confident | 67.6 | Low | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.2 | -45.5 | 175.6 | -81 | -77.4 | 0 | 0 | 0 | 113.2 | D1481 L1484 L1488 I1496 L1500 I1509 T1516 L1517 N1522 G1523 Y1524 P1525 W1535 | D1481-F1520 WeakPolarHBondContact OD1-CE2 3.19Å; D1481-F1520 WeakPolarHBondContact OD1-CZ 3.18Å; L1484-F1520 HydrophobicContact CB-CD1 4.39Å; L1484-F1520 HydrophobicContact CB-CE1 3.9Å; L1484-F1520 VanDerWaalsContact CB-CE1 3.46Å; L1484-F1520 HydrophobicContact CB-CE2 4.16Å; L1484-F1520 HydrophobicContact CB-CZ 4.03Å; L1484-F1520 VanDerWaalsContact CB-CZ 3.49Å; L1484-F1520 HydrophobicContact CD1-CD1 4.19Å; L1484-F1520 HydrophobicContact CD1-CD2 3.91Å; L1484-F1520 HydrophobicContact CD1-CE1 3.69Å; L1484-F1520 HydrophobicContact CD1-CE2 3.87Å; L1484-F1520 HydrophobicContact CD1-CG 4.01Å; L1484-F1520 HydrophobicContact CD1-CZ 3.72Å; L1484-F1520 HydrophobicContact CD2-CZ 4.41Å; L1484-F1520 HydrophobicContact CG-CE1 4.23Å; L1484-F1520 HydrophobicContact CG-CE2 4.41Å; L1484-F1520 HydrophobicContact CG-CZ 4.35Å; L1488-F1520 HydrophobicContact CD2-CE1 4.31Å; L1488-F1520 HydrophobicContact CD2-CZ 4.4Å; I1496-F1520 HydrophobicContact CD1-CE1 4.17Å; I1496-F1520 HydrophobicContact CG2-CD1 3.87Å; I1496-F1520 HydrophobicContact CG2-CE1 4.02Å; L1500-F1520 HydrophobicContact CD1-CB 4.23Å; L1500-F1520 HydrophobicContact CD2-CB 4.17Å; I1509-F1520 HydrophobicContact CD1-CD2 4.49Å; T1516-F1520 HydrophobicContact CG2-CD2 3.68Å; T1516-F1520 HydrophobicContact CG2-CE2 3.28Å; T1516-F1520 HydrophobicContact CG2-CZ 4.06Å; T1516-F1520 VanDerWaalsContact O-CD2 3.22Å; T1516-F1520 WeakPolarHBondContact O-CD2 3.29Å; T1516-F1520 PolarHBondContact O-N 3.21Å; T1516-F1520 VanDerWaalsContact O-N 3.08Å; L1517-F1520 WeakPolarHBondContact O-CB 3.49Å; L1517-F1520 PolarHBondContact O-N 2.96Å; F1520-N1522 VanDerWaalsContact C-N 3.32Å; F1520-N1522 PolarHBondContact O-N 3.17Å; F1520-G1523 PolarHBondContact O-N 3.1Å; F1520-G1523 VanDerWaalsContact O-N 3.12Å; F1520-Y1524 AromaticContact CD1-CD2 3.76Å; F1520-Y1524 HydrophobicContact CD1-CD2 3.83Å; F1520-Y1524 HydrophobicContact CD1-CE2 4.29Å; F1520-Y1524 HydrophobicContact CD1-CG 4.47Å; F1520-Y1524 AromaticContact CE1-CD2 3.3Å; F1520-Y1524 HydrophobicContact CE1-CD2 3.3Å; F1520-Y1524 VanDerWaalsContact CE1-CD2 3.45Å; F1520-Y1524 AromaticContact CE1-CE2 3.33Å; F1520-Y1524 HydrophobicContact CE1-CE2 3.33Å; F1520-Y1524 VanDerWaalsContact CE1-CE2 3.46Å; F1520-Y1524 HydrophobicContact CE1-CG 4.33Å; F1520-Y1524 AromaticContact CZ-CD2 3.86Å; F1520-Y1524 HydrophobicContact CZ-CD2 3.97Å; F1520-Y1524 AromaticContact CZ-CE2 3.6Å; F1520-Y1524 HydrophobicContact CZ-CE2 3.74Å; F1520-P1525 HydrophobicContact CD1-CB 3.74Å; F1520-P1525 HydrophobicContact CD1-CG 4.38Å; F1520-P1525 HydrophobicContact CD2-CB 4.05Å; F1520-P1525 HydrophobicContact CE1-CB 3.58Å; F1520-P1525 HydrophobicContact CE1-CG 4.27Å; F1520-P1525 HydrophobicContact CE2-CB 3.89Å; F1520-P1525 HydrophobicContact CG-CB 3.97Å; F1520-P1525 HydrophobicContact CZ-CB 3.66Å; F1520-W1535 HydrophobicContact CD1-CZ2 4.3Å; F1520-W1535 PolarHBondContact O-NE1 3.41Å |
| 1521 | L | 69.2 | Low | 67.5 | Low | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.3 | -19 | 177.8 | -69.8 | 170.6 | 0 | 0 | 0 | 114.4 | L1500 L1517 M1518 K1519 G1523 I1548 K1552 I1555 | L1500-L1521 HydrophobicContact CD2-CD2 4.23Å; L1500-L1521 HydrophobicContact CD2-CG 4.47Å; L1517-L1521 HydrophobicContact CD1-CD1 4.25Å; L1517-L1521 HydrophobicContact CD1-CG 4.43Å; L1517-L1521 HydrophobicContact CD2-CD1 3.69Å; L1517-L1521 HydrophobicContact CG-CD1 4.15Å; L1517-L1521 HydrophobicContact CG-CG 4.47Å; L1517-L1521 WeakPolarHBondContact O-CG 3.46Å; L1517-L1521 PolarHBondContact O-N 3.14Å; M1518-L1521 HydrophobicContact SD-CD1 4.21Å; K1519-L1521 VanDerWaalsContact C-N 3.3Å; K1519-L1521 PolarHBondContact O-N 3.03Å; L1521-G1523 VanDerWaalsContact C-N 3.32Å; L1521-I1548 HydrophobicContact CD2-CG2 4.2Å; L1521-K1552 HydrophobicContact CB-CD 4.43Å; L1521-K1552 HydrophobicContact CB-CG 4.37Å; L1521-K1552 HydrophobicContact CD1-CB 4.46Å; L1521-K1552 HydrophobicContact CD1-CG 4.39Å; L1521-K1552 HydrophobicContact CD2-CB 4.38Å; L1521-K1552 WeakPolarHBondContact O-CD 3.34Å; L1521-K1552 WeakPolarHBondContact O-CE 3.28Å; L1521-K1552 PolarHBondContact O-NZ 3.16Å; L1521-K1552 VanDerWaalsContact O-NZ 3.07Å; L1521-I1555 HydrophobicContact CD1-CD1 3.9Å; L1521-I1555 HydrophobicContact CD1-CG2 4.45Å |
| 1522 | N | 67.8 | Low | 67.6 | Low | 93.8 Ų | 93.8 | 58.1 Ų | 58.1 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -100.4 | -10.3 | 176.4 | -74.2 | -37.2 | 0 | 0 | 0 | 113.3 | M1518 K1519 F1520 Y1524 K1552 | M1518-N1522 WeakPolarHBondContact O-CB 3.24Å; M1518-N1522 PolarHBondContact O-N 3.15Å; M1518-N1522 PolarHBondContact O-ND2 2.99Å; M1518-N1522 VanDerWaalsContact O-ND2 3.12Å; K1519-N1522 CarbonylContact O-C 3.49Å; K1519-N1522 WeakPolarHBondContact O-CA 3.45Å; K1519-N1522 PolarHBondContact O-N 3.38Å; F1520-N1522 VanDerWaalsContact C-N 3.32Å; F1520-N1522 PolarHBondContact O-N 3.17Å; N1522-Y1524 HydrophobicContact CB-CD2 4.4Å; N1522-Y1524 VanDerWaalsContact O-CD2 3.31Å; N1522-Y1524 WeakPolarHBondContact O-CD2 3.44Å; N1522-Y1524 WeakPolarHBondContact O-CE2 3.36Å; N1522-K1552 WeakPolarHBondContact OD1-CE 3.44Å; N1522-K1552 PolarHBondContact OD1-NZ 3.34Å |
| 1523 | G | 64.6 | Low | 68 | Low | 11 Ų | 11 | 58.5 Ų | 58.5 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | trans | 123.1 | 119.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K1519 F1520 L1521 P1525 K1536 | K1519-G1523 CarbonylContact C-O 3.5Å; K1519-G1523 CarbonylContact O-C 3.52Å; K1519-G1523 VanDerWaalsContact O-C 3.31Å; K1519-G1523 PolarHBondContact O-N 3.14Å; K1519-G1523 VanDerWaalsContact O-N 3.16Å; F1520-G1523 PolarHBondContact O-N 3.1Å; F1520-G1523 VanDerWaalsContact O-N 3.12Å; L1521-G1523 VanDerWaalsContact C-N 3.32Å; G1523-P1525 VanDerWaalsContact C-CD 3.41Å; G1523-K1536 WeakPolarHBondContact O-CE 3.49Å | ||
| 1524 | Y | 65.2 | Low | 68.4 | Low | 38 Ų | 38 | 57.9 Ų | 57.9 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | trans | -68.4 | 123.2 | 178.5 | -151.9 | -80.5 | 0 | 0 | 0 | 111 | D1481 L1484 Y1485 L1488 K1519 F1520 N1522 T1526 Q1532 K1536 | D1481-Y1524 PolarHBondContact O-OH 3.19Å; L1484-Y1524 HydrophobicContact CB-CE2 4.09Å; Y1485-Y1524 WeakPolarHBondContact CA-OH 3.49Å; Y1485-Y1524 VanDerWaalsContact CB-OH 3.27Å; Y1485-Y1524 WeakPolarHBondContact CB-OH 3.25Å; Y1485-Y1524 AromaticContact CD2-CE1 3.88Å; Y1485-Y1524 HydrophobicContact CD2-CE1 4.08Å; Y1485-Y1524 AromaticContact CD2-CZ 3.72Å; Y1485-Y1524 WeakPolarHBondContact CD2-OH 3.47Å; Y1485-Y1524 HydrophobicContact CE2-CE1 4.45Å; L1488-Y1524 HydrophobicContact CD1-CD1 4.15Å; L1488-Y1524 HydrophobicContact CD1-CD2 3.86Å; L1488-Y1524 HydrophobicContact CD1-CE2 3.76Å; L1488-Y1524 HydrophobicContact CD1-CG 3.97Å; L1488-Y1524 HydrophobicContact CD2-CD1 3.6Å; L1488-Y1524 VanDerWaalsContact CD2-CD1 3.46Å; L1488-Y1524 HydrophobicContact CD2-CD2 3.92Å; L1488-Y1524 HydrophobicContact CD2-CE1 4.08Å; L1488-Y1524 HydrophobicContact CD2-CE2 4.42Å; L1488-Y1524 HydrophobicContact CD2-CG 3.47Å; L1488-Y1524 VanDerWaalsContact CD2-CG 3.42Å; L1488-Y1524 HydrophobicContact CG-CD1 4.43Å; L1488-Y1524 HydrophobicContact CG-CD2 4.41Å; L1488-Y1524 HydrophobicContact CG-CG 4.35Å; K1519-Y1524 WeakPolarHBondContact CB-O 3.47Å; K1519-Y1524 CarbonylContact O-C 3.59Å; K1519-Y1524 PolarHBondContact O-N 2.73Å; F1520-Y1524 AromaticContact CD1-CD2 3.76Å; F1520-Y1524 HydrophobicContact CD1-CD2 3.83Å; F1520-Y1524 HydrophobicContact CD1-CE2 4.29Å; F1520-Y1524 HydrophobicContact CD1-CG 4.47Å; F1520-Y1524 AromaticContact CE1-CD2 3.3Å; F1520-Y1524 HydrophobicContact CE1-CD2 3.3Å; F1520-Y1524 VanDerWaalsContact CE1-CD2 3.45Å; F1520-Y1524 AromaticContact CE1-CE2 3.33Å; F1520-Y1524 HydrophobicContact CE1-CE2 3.33Å; F1520-Y1524 VanDerWaalsContact CE1-CE2 3.46Å; F1520-Y1524 HydrophobicContact CE1-CG 4.33Å; F1520-Y1524 AromaticContact CZ-CD2 3.86Å; F1520-Y1524 HydrophobicContact CZ-CD2 3.97Å; F1520-Y1524 AromaticContact CZ-CE2 3.6Å; F1520-Y1524 HydrophobicContact CZ-CE2 3.74Å; N1522-Y1524 HydrophobicContact CB-CD2 4.4Å; N1522-Y1524 VanDerWaalsContact O-CD2 3.31Å; N1522-Y1524 WeakPolarHBondContact O-CD2 3.44Å; N1522-Y1524 WeakPolarHBondContact O-CE2 3.36Å; Y1524-T1526 VanDerWaalsContact C-N 3.26Å; Y1524-T1526 HydrophobicContact CD1-CG2 3.37Å; Y1524-T1526 HydrophobicContact CE1-CG2 3.7Å; Y1524-T1526 HydrophobicContact CG-CG2 4.25Å; Y1524-T1526 PolarHBondContact O-N 3.21Å; Y1524-T1526 PolarHBondContact O-OG1 3.11Å; Y1524-Q1532 PolarHBondContact O-NE2 3.33Å; Y1524-K1536 PolarHBondContact OH-NZ 2.93Å | ||
| 1525 | P | 62 | Low | 69 | Low | 63.6 Ų | 63.6 | 56.4 Ų | 56.4 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | trans | -74.4 | 54 | 179.4 | 31.8 | -35.8 | 0 | 0 | 0 | 111.8 | L1488 K1519 F1520 G1523 W1535 | L1488-P1525 HydrophobicContact CD1-CG 4.41Å; L1488-P1525 HydrophobicContact CD2-CB 3.83Å; L1488-P1525 HydrophobicContact CD2-CG 3.6Å; K1519-P1525 HydrophobicContact CB-CG 4.46Å; K1519-P1525 HydrophobicContact CD-CG 4.08Å; F1520-P1525 HydrophobicContact CD1-CB 3.74Å; F1520-P1525 HydrophobicContact CD1-CG 4.38Å; F1520-P1525 HydrophobicContact CD2-CB 4.05Å; F1520-P1525 HydrophobicContact CE1-CB 3.58Å; F1520-P1525 HydrophobicContact CE1-CG 4.27Å; F1520-P1525 HydrophobicContact CE2-CB 3.89Å; F1520-P1525 HydrophobicContact CG-CB 3.97Å; F1520-P1525 HydrophobicContact CZ-CB 3.66Å; G1523-P1525 VanDerWaalsContact C-CD 3.41Å; P1525-W1535 HydrophobicContact CG-CG 4.25Å | ||
| 1526 | T | 63.6 | Low | 69.5 | Low | 14.2 Ų | 14.2 | 58.2 Ų | 58.2 | 9% | 0.087 | 29% | 0.289 | C | S | . | . | trans | -105.9 | 149 | 172 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | Y1485 L1488 Y1489 Y1524 D1528 I1531 Q1532 | Y1485-T1526 HydrophobicContact CD2-CG2 4.15Å; Y1485-T1526 HydrophobicContact CE2-CG2 4.1Å; L1488-T1526 HydrophobicContact CD2-CG2 3.82Å; L1488-T1526 VanDerWaalsContact CD2-CG2 3.46Å; Y1489-T1526 HydrophobicContact CE2-CG2 3.93Å; Y1489-T1526 WeakPolarHBondContact OH-CG2 3.5Å; Y1524-T1526 VanDerWaalsContact C-N 3.26Å; Y1524-T1526 HydrophobicContact CD1-CG2 3.37Å; Y1524-T1526 HydrophobicContact CE1-CG2 3.7Å; Y1524-T1526 HydrophobicContact CG-CG2 4.25Å; Y1524-T1526 PolarHBondContact O-N 3.21Å; Y1524-T1526 PolarHBondContact O-OG1 3.11Å; T1526-D1528 VanDerWaalsContact C-N 3.31Å; T1526-D1528 PolarHBondContact O-N 3.44Å; T1526-D1528 PolarHBondContact OG1-O 3.1Å; T1526-I1531 HydrophobicContact CG2-CG2 4.38Å; T1526-Q1532 WeakPolarHBondContact O-CG 3.27Å; T1526-Q1532 PolarHBondContact O-NE2 3.33Å | ||
| 1527 | N | 62.5 | Low | 70 | Confident | 163.8 Ų | 163.8 | 64.1 Ų | 64.1 | 88% | 0.876 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -75.2 | -14.6 | 168.2 | -67.8 | -19.2 | 0 | 0 | 0 | 112.2 | D1144 R1529 | D1144-N1527 PolarHBondContact OD1-ND2 3.48Å; N1527-R1529 PolarHBondContact O-N 3.06Å |
| 1528 | D | 67.3 | Low | 70.2 | Confident | 72.8 Ų | 72.8 | 66.7 Ų | 66.7 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | trans | -76.5 | 107.9 | 178.5 | -138.7 | -23.9 | 0 | 0 | 0 | 111.7 | Y1489 T1526 C1530 I1531 Q1532 | Y1489-D1528 PolarHBondContact OH-OD2 3.24Å; T1526-D1528 VanDerWaalsContact C-N 3.31Å; T1526-D1528 PolarHBondContact O-N 3.44Å; T1526-D1528 PolarHBondContact OG1-O 3.1Å; D1528-C1530 VanDerWaalsContact C-N 3.29Å; D1528-C1530 PolarHBondContact O-N 3.26Å; D1528-C1530 WeakPolarHBondContact OD1-CA 3.43Å; D1528-C1530 VanDerWaalsContact OD1-CB 3.27Å; D1528-C1530 WeakPolarHBondContact OD1-CB 3.4Å; D1528-C1530 PolarHBondContact OD1-N 3.19Å; D1528-I1531 HydrophobicContact CB-CB 4.23Å; D1528-I1531 HydrophobicContact CB-CD1 3.98Å; D1528-I1531 HydrophobicContact CB-CG1 4.16Å; D1528-I1531 PolarHBondContact O-N 3.05Å; D1528-I1531 PolarHBondContact OD1-N 3Å; D1528-I1531 WeakPolarHBondContact OD2-CD1 3.45Å; D1528-I1531 WeakPolarHBondContact OD2-CG1 3.24Å; D1528-Q1532 WeakPolarHBondContact O-CG 3.13Å; D1528-Q1532 PolarHBondContact O-N 3.06Å; D1528-Q1532 VanDerWaalsContact O-N 3.08Å | ||
| 1529 | R | 69.9 | Low | 70.3 | Confident | 183.6 Ų | 183.6 | 66.9 Ų | 66.9 | 69% | 0.693 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | 179.2 | -170.7 | 177.2 | 176.9 | 170 | 3 | 112.8 | N1527 I1531 Q1532 E1533 | N1527-R1529 PolarHBondContact O-N 3.06Å; R1529-I1531 VanDerWaalsContact C-N 3.34Å; R1529-I1531 PolarHBondContact O-N 3.49Å; R1529-Q1532 PolarHBondContact O-N 3.14Å; R1529-E1533 HydrophobicContact CG-CG 4.41Å; R1529-E1533 WeakPolarHBondContact CG-OE1 3.33Å; R1529-E1533 IonicContact CZ-OE1 3.09Å; R1529-E1533 IonicContact NE-OE1 3.43Å; R1529-E1533 PolarHBondContact NE-OE1 3.2Å; R1529-E1533 VanDerWaalsContact NE-OE1 3.17Å; R1529-E1533 IonicContact NH2-OE1 3.33Å; R1529-E1533 PolarHBondContact NH2-OE1 2.88Å; R1529-E1533 WeakPolarHBondContact O-CB 3.37Å; R1529-E1533 WeakPolarHBondContact O-CG 3.35Å; R1529-E1533 PolarHBondContact O-N 3.12Å |
| 1530 | C | 70.2 | Confident | 70.6 | Confident | 78.4 Ų | 78.4 | 70.2 Ų | 70.2 | 53% | 0.53 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | D1528 Q1532 E1533 K1534 | D1528-C1530 VanDerWaalsContact C-N 3.29Å; D1528-C1530 PolarHBondContact O-N 3.26Å; D1528-C1530 WeakPolarHBondContact OD1-CA 3.43Å; D1528-C1530 VanDerWaalsContact OD1-CB 3.27Å; D1528-C1530 WeakPolarHBondContact OD1-CB 3.4Å; D1528-C1530 PolarHBondContact OD1-N 3.19Å; C1530-Q1532 VanDerWaalsContact C-N 3.34Å; C1530-Q1532 PolarHBondContact O-N 3.41Å; C1530-E1533 PolarHBondContact O-N 3.2Å; C1530-K1534 WeakPolarHBondContact O-CG 3.26Å; C1530-K1534 PolarHBondContact O-N 3.12Å; C1530-K1534 VanDerWaalsContact O-N 3.1Å |
| 1531 | I | 71.3 | Confident | 70.8 | Confident | 23.4 Ų | 23.4 | 73.9 Ų | 73.9 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 177.5 | -64.1 | 175.9 | 0 | 0 | 0 | 110.6 | L1488 Y1489 T1526 D1528 R1529 E1533 K1534 W1535 | L1488-I1531 HydrophobicContact CD1-CG2 4.03Å; L1488-I1531 HydrophobicContact CD2-CG2 3.5Å; L1488-I1531 VanDerWaalsContact CD2-CG2 3.46Å; L1488-I1531 HydrophobicContact CG-CG2 3.68Å; L1488-I1531 VanDerWaalsContact CG-CG2 3.47Å; Y1489-I1531 HydrophobicContact CD1-CD1 3.64Å; Y1489-I1531 VanDerWaalsContact CD1-CD1 3.48Å; Y1489-I1531 HydrophobicContact CD2-CD1 4.24Å; Y1489-I1531 HydrophobicContact CE1-CD1 3.55Å; Y1489-I1531 VanDerWaalsContact CE1-CD1 3.49Å; Y1489-I1531 HydrophobicContact CE2-CD1 3.98Å; Y1489-I1531 HydrophobicContact CG-CD1 4.08Å; Y1489-I1531 VanDerWaalsContact CZ-CD1 3.46Å; T1526-I1531 HydrophobicContact CG2-CG2 4.38Å; D1528-I1531 HydrophobicContact CB-CB 4.23Å; D1528-I1531 HydrophobicContact CB-CD1 3.98Å; D1528-I1531 HydrophobicContact CB-CG1 4.16Å; D1528-I1531 PolarHBondContact O-N 3.05Å; D1528-I1531 PolarHBondContact OD1-N 3Å; D1528-I1531 WeakPolarHBondContact OD2-CD1 3.45Å; D1528-I1531 WeakPolarHBondContact OD2-CG1 3.24Å; R1529-I1531 VanDerWaalsContact C-N 3.34Å; R1529-I1531 PolarHBondContact O-N 3.49Å; I1531-E1533 VanDerWaalsContact C-N 3.32Å; I1531-E1533 PolarHBondContact O-N 3.12Å; I1531-K1534 PolarHBondContact O-N 3Å; I1531-W1535 WeakPolarHBondContact O-CB 3.3Å; I1531-W1535 PolarHBondContact O-N 3.09Å |
| 1532 | Q | 71.2 | Confident | 71 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.2 | -114.7 | -174.2 | 17.1 | 0 | 0 | 112.3 | Y1524 T1526 D1528 R1529 C1530 W1535 K1536 | Y1524-Q1532 PolarHBondContact O-NE2 3.33Å; T1526-Q1532 WeakPolarHBondContact O-CG 3.27Å; T1526-Q1532 PolarHBondContact O-NE2 3.33Å; D1528-Q1532 WeakPolarHBondContact O-CG 3.13Å; D1528-Q1532 PolarHBondContact O-N 3.06Å; D1528-Q1532 VanDerWaalsContact O-N 3.08Å; R1529-Q1532 PolarHBondContact O-N 3.14Å; C1530-Q1532 VanDerWaalsContact C-N 3.34Å; C1530-Q1532 PolarHBondContact O-N 3.41Å; Q1532-W1535 PolarHBondContact O-N 2.89Å; Q1532-K1536 WeakPolarHBondContact O-CB 3.36Å; Q1532-K1536 VanDerWaalsContact O-CG 3.31Å; Q1532-K1536 WeakPolarHBondContact O-CG 3.4Å; Q1532-K1536 PolarHBondContact O-N 3.1Å |
| 1533 | E | 75.5 | Confident | 71.1 | Confident | 72.8 Ų | 72.8 | 74.5 Ų | 74.5 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 176.5 | -76.7 | -178.4 | -166.7 | 0 | 0 | 112.2 | R1529 C1530 I1531 K1536 R1537 | R1529-E1533 HydrophobicContact CG-CG 4.41Å; R1529-E1533 WeakPolarHBondContact CG-OE1 3.33Å; R1529-E1533 IonicContact CZ-OE1 3.09Å; R1529-E1533 IonicContact NE-OE1 3.43Å; R1529-E1533 PolarHBondContact NE-OE1 3.2Å; R1529-E1533 VanDerWaalsContact NE-OE1 3.17Å; R1529-E1533 IonicContact NH2-OE1 3.33Å; R1529-E1533 PolarHBondContact NH2-OE1 2.88Å; R1529-E1533 WeakPolarHBondContact O-CB 3.37Å; R1529-E1533 WeakPolarHBondContact O-CG 3.35Å; R1529-E1533 PolarHBondContact O-N 3.12Å; C1530-E1533 PolarHBondContact O-N 3.2Å; I1531-E1533 VanDerWaalsContact C-N 3.32Å; I1531-E1533 PolarHBondContact O-N 3.12Å; E1533-K1536 PolarHBondContact O-N 3.18Å; E1533-R1537 WeakPolarHBondContact O-CB 3.36Å; E1533-R1537 VanDerWaalsContact O-CG 3.29Å; E1533-R1537 WeakPolarHBondContact O-CG 3.4Å; E1533-R1537 PolarHBondContact O-N 3.06Å; E1533-R1537 PolarHBondContact O-NE 3.26Å; E1533-R1537 IonicContact OE2-CZ 3.13Å; E1533-R1537 IonicContact OE2-NH2 2.89Å; E1533-R1537 PolarHBondContact OE2-NH2 3.01Å |
| 1534 | K | 77 | Confident | 71.5 | Confident | 73.6 Ų | 73.6 | 74.9 Ų | 74.9 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.2 | -78.6 | -175.7 | 172.7 | -166.2 | 0 | 111.7 | Y1463 D1491 L1493 C1530 I1531 K1536 R1537 K1538 | Y1463-K1534 PolarHBondContact OH-NZ 3.31Å; D1491-K1534 VanDerWaalsContact CG-NZ 3.26Å; D1491-K1534 IonicContact OD1-NZ 3.24Å; D1491-K1534 PolarHBondContact OD1-NZ 2.97Å; D1491-K1534 IonicContact OD2-NZ 3.09Å; D1491-K1534 PolarHBondContact OD2-NZ 2.97Å; L1493-K1534 HydrophobicContact CD1-CB 4.36Å; C1530-K1534 WeakPolarHBondContact O-CG 3.26Å; C1530-K1534 PolarHBondContact O-N 3.12Å; C1530-K1534 VanDerWaalsContact O-N 3.1Å; I1531-K1534 PolarHBondContact O-N 3Å; K1534-K1536 PolarHBondContact O-N 3.05Å; K1534-R1537 PolarHBondContact O-N 2.9Å; K1534-K1538 WeakPolarHBondContact O-CB 3.36Å; K1534-K1538 PolarHBondContact O-N 3.08Å |
| 1535 | W | 76.2 | Confident | 71.9 | Confident | 4.8 Ų | 4.8 | 73.9 Ų | 73.9 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 178.4 | 179.5 | -115.1 | 0 | 0 | 0 | 111.9 | L1488 L1493 I1496 L1500 F1520 P1525 I1531 Q1532 K1538 L1539 | L1488-W1535 HydrophobicContact CD1-CB 4.16Å; L1488-W1535 HydrophobicContact CD1-CD2 4.34Å; L1488-W1535 HydrophobicContact CD1-CE3 4.3Å; L1488-W1535 HydrophobicContact CD1-CG 4.29Å; L1493-W1535 HydrophobicContact CB-CE3 4.24Å; L1493-W1535 HydrophobicContact CB-CZ3 4.11Å; L1493-W1535 HydrophobicContact CD1-CE3 4.3Å; L1493-W1535 HydrophobicContact CD2-CE3 3.83Å; L1493-W1535 VanDerWaalsContact CD2-CE3 3.43Å; L1493-W1535 HydrophobicContact CD2-CZ3 4.17Å; L1493-W1535 HydrophobicContact CG-CE3 4.33Å; L1493-W1535 HydrophobicContact CG-CZ3 4.44Å; I1496-W1535 HydrophobicContact CB-CH2 3.87Å; I1496-W1535 HydrophobicContact CB-CZ3 3.93Å; I1496-W1535 HydrophobicContact CD1-CZ3 4.3Å; I1496-W1535 HydrophobicContact CG2-CH2 3.42Å; I1496-W1535 VanDerWaalsContact CG2-CH2 3.45Å; I1496-W1535 HydrophobicContact CG2-CZ2 4.13Å; I1496-W1535 HydrophobicContact CG2-CZ3 3.91Å; L1500-W1535 HydrophobicContact CD1-CH2 3.95Å; L1500-W1535 HydrophobicContact CD1-CZ2 3.74Å; F1520-W1535 HydrophobicContact CD1-CZ2 4.3Å; F1520-W1535 PolarHBondContact O-NE1 3.41Å; P1525-W1535 HydrophobicContact CG-CG 4.25Å; I1531-W1535 WeakPolarHBondContact O-CB 3.3Å; I1531-W1535 PolarHBondContact O-N 3.09Å; Q1532-W1535 PolarHBondContact O-N 2.89Å; W1535-K1538 PolarHBondContact O-N 3.26Å; W1535-L1539 HydrophobicContact CD2-CD1 4.25Å; W1535-L1539 VanDerWaalsContact CE2-CD1 3.44Å; W1535-L1539 HydrophobicContact CG-CD1 4.33Å; W1535-L1539 HydrophobicContact CH2-CD1 4.29Å; W1535-L1539 HydrophobicContact CZ2-CD1 4.01Å; W1535-L1539 HydrophobicContact CZ2-CG 4.47Å; W1535-L1539 VanDerWaalsContact NE1-CD1 3.33Å; W1535-L1539 WeakPolarHBondContact O-CB 3.33Å; W1535-L1539 PolarHBondContact O-N 3.3Å |
| 1536 | K | 76.2 | Confident | 72.6 | Confident | 96.8 Ų | 96.8 | 77.7 Ų | 77.7 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 175.8 | -77 | 178.4 | 178.7 | 178.4 | 0 | 112.3 | G1523 Y1524 Q1532 E1533 K1534 K1538 L1539 E1540 | G1523-K1536 WeakPolarHBondContact O-CE 3.49Å; Y1524-K1536 PolarHBondContact OH-NZ 2.93Å; Q1532-K1536 WeakPolarHBondContact O-CB 3.36Å; Q1532-K1536 VanDerWaalsContact O-CG 3.31Å; Q1532-K1536 WeakPolarHBondContact O-CG 3.4Å; Q1532-K1536 PolarHBondContact O-N 3.1Å; E1533-K1536 PolarHBondContact O-N 3.18Å; K1534-K1536 PolarHBondContact O-N 3.05Å; K1536-K1538 VanDerWaalsContact C-N 3.31Å; K1536-K1538 PolarHBondContact O-N 3.14Å; K1536-L1539 PolarHBondContact O-N 3.21Å; K1536-E1540 WeakPolarHBondContact O-CG 3.21Å; K1536-E1540 PolarHBondContact O-N 3.05Å |
| 1537 | R | 78.1 | Confident | 73.3 | Confident | 146.8 Ų | 146.8 | 78.9 Ų | 78.9 | 55% | 0.554 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 176.8 | -74 | 179 | -150.1 | 146.4 | 5.7 | 112.1 | E1533 K1534 E1540 S1541 | E1533-R1537 WeakPolarHBondContact O-CB 3.36Å; E1533-R1537 VanDerWaalsContact O-CG 3.29Å; E1533-R1537 WeakPolarHBondContact O-CG 3.4Å; E1533-R1537 PolarHBondContact O-N 3.06Å; E1533-R1537 PolarHBondContact O-NE 3.26Å; E1533-R1537 IonicContact OE2-CZ 3.13Å; E1533-R1537 IonicContact OE2-NH2 2.89Å; E1533-R1537 PolarHBondContact OE2-NH2 3.01Å; K1534-R1537 PolarHBondContact O-N 2.9Å; R1537-E1540 PolarHBondContact O-N 2.97Å; R1537-S1541 WeakPolarHBondContact O-CB 3.38Å; R1537-S1541 PolarHBondContact O-N 3.21Å; R1537-S1541 VanDerWaalsContact O-N 3.11Å; R1537-S1541 PolarHBondContact O-OG 3.16Å |
| 1538 | K | 75.5 | Confident | 74 | Confident | 54.2 Ų | 54.2 | 71.3 Ų | 71.3 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 177.3 | -158.2 | 96.5 | 174.9 | -167.4 | 0 | 111.8 | L1493 D1494 K1534 W1535 K1536 E1540 S1541 C1542 | L1493-K1538 HydrophobicContact CB-CB 4.36Å; L1493-K1538 HydrophobicContact CB-CD 4.04Å; L1493-K1538 HydrophobicContact CB-CG 3.74Å; L1493-K1538 HydrophobicContact CD1-CB 3.63Å; L1493-K1538 HydrophobicContact CD1-CD 4.17Å; L1493-K1538 HydrophobicContact CD1-CG 3.99Å; L1493-K1538 HydrophobicContact CG-CD 4.26Å; L1493-K1538 HydrophobicContact CG-CG 4.43Å; D1494-K1538 VanDerWaalsContact CG-NZ 3.27Å; D1494-K1538 WeakPolarHBondContact OD1-CE 3.3Å; D1494-K1538 IonicContact OD1-NZ 3.36Å; D1494-K1538 PolarHBondContact OD1-NZ 3.31Å; D1494-K1538 WeakPolarHBondContact OD2-CE 2.97Å; D1494-K1538 IonicContact OD2-NZ 3.07Å; D1494-K1538 PolarHBondContact OD2-NZ 3.12Å; K1534-K1538 WeakPolarHBondContact O-CB 3.36Å; K1534-K1538 PolarHBondContact O-N 3.08Å; W1535-K1538 PolarHBondContact O-N 3.26Å; K1536-K1538 VanDerWaalsContact C-N 3.31Å; K1536-K1538 PolarHBondContact O-N 3.14Å; K1538-E1540 VanDerWaalsContact C-N 3.3Å; K1538-E1540 PolarHBondContact O-N 3.12Å; K1538-S1541 WeakPolarHBondContact CA-OG 3.38Å; K1538-S1541 CarbonylContact O-C 3.5Å; K1538-S1541 WeakPolarHBondContact O-CA 3.32Å; K1538-S1541 PolarHBondContact O-N 3.12Å; K1538-S1541 VanDerWaalsContact O-N 3.14Å; K1538-S1541 PolarHBondContact O-OG 3.19Å; K1538-S1541 VanDerWaalsContact O-OG 3.12Å; K1538-C1542 WeakPolarHBondContact O-CA 3.44Å; K1538-C1542 VanDerWaalsContact O-CB 3.29Å; K1538-C1542 WeakPolarHBondContact O-CB 3.39Å; K1538-C1542 PolarHBondContact O-N 3.06Å; K1538-C1542 VanDerWaalsContact O-N 3.08Å; K1538-C1542 PolarHBondContact O-SG 2.96Å |
| 1539 | L | 73.7 | Confident | 74.6 | Confident | 41.4 Ų | 41.4 | 71.7 Ų | 71.7 | 22% | 0.217 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.4 | -141.9 | 98.7 | 0 | 0 | 0 | 111.6 | W1535 K1536 S1541 C1542 I1548 | W1535-L1539 HydrophobicContact CD2-CD1 4.25Å; W1535-L1539 VanDerWaalsContact CE2-CD1 3.44Å; W1535-L1539 HydrophobicContact CG-CD1 4.33Å; W1535-L1539 HydrophobicContact CH2-CD1 4.29Å; W1535-L1539 HydrophobicContact CZ2-CD1 4.01Å; W1535-L1539 HydrophobicContact CZ2-CG 4.47Å; W1535-L1539 VanDerWaalsContact NE1-CD1 3.33Å; W1535-L1539 WeakPolarHBondContact O-CB 3.33Å; W1535-L1539 PolarHBondContact O-N 3.3Å; K1536-L1539 PolarHBondContact O-N 3.21Å; L1539-S1541 VanDerWaalsContact C-N 3.3Å; L1539-S1541 PolarHBondContact O-N 3.16Å; L1539-C1542 WeakPolarHBondContact O-CB 3.44Å; L1539-C1542 PolarHBondContact O-N 2.83Å; L1539-I1548 HydrophobicContact CD1-CD1 4.01Å; L1539-I1548 HydrophobicContact CD1-CG2 4.24Å; L1539-I1548 HydrophobicContact CD2-CD1 3.89Å; L1539-I1548 HydrophobicContact CD2-CG2 4.29Å |
| 1540 | E | 75.1 | Confident | 75.1 | Confident | 164.6 Ų | 164.6 | 64 Ų | 64 | 77% | 0.769 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.7 | -30.6 | 175.8 | -72 | 171.5 | -176.1 | 0 | 0 | 113.2 | K1536 R1537 K1538 | K1536-E1540 WeakPolarHBondContact O-CG 3.21Å; K1536-E1540 PolarHBondContact O-N 3.05Å; R1537-E1540 PolarHBondContact O-N 2.97Å; K1538-E1540 VanDerWaalsContact C-N 3.3Å; K1538-E1540 PolarHBondContact O-N 3.12Å |
| 1541 | S | 75.4 | Confident | 75.6 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -95 | -1 | 179.2 | 64 | 0 | 0 | 0 | 0 | 114.4 | R1537 K1538 L1539 | R1537-S1541 WeakPolarHBondContact O-CB 3.38Å; R1537-S1541 PolarHBondContact O-N 3.21Å; R1537-S1541 VanDerWaalsContact O-N 3.11Å; R1537-S1541 PolarHBondContact O-OG 3.16Å; K1538-S1541 WeakPolarHBondContact CA-OG 3.38Å; K1538-S1541 CarbonylContact O-C 3.5Å; K1538-S1541 WeakPolarHBondContact O-CA 3.32Å; K1538-S1541 PolarHBondContact O-N 3.12Å; K1538-S1541 VanDerWaalsContact O-N 3.14Å; K1538-S1541 PolarHBondContact O-OG 3.19Å; K1538-S1541 VanDerWaalsContact O-OG 3.12Å; L1539-S1541 VanDerWaalsContact C-N 3.3Å; L1539-S1541 PolarHBondContact O-N 3.16Å |
| 1542 | C | 72.2 | Confident | 76.1 | Confident | 12.4 Ų | 12.4 | 61.7 Ų | 61.7 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -72.8 | 130.3 | -172.5 | -156.2 | 0 | 0 | 0 | 0 | 110.9 | C1497 K1538 L1539 F1544 G1545 I1548 | C1497-C1542 PolarHBondContact SG-SG 3.09Å; K1538-C1542 WeakPolarHBondContact O-CA 3.44Å; K1538-C1542 VanDerWaalsContact O-CB 3.29Å; K1538-C1542 WeakPolarHBondContact O-CB 3.39Å; K1538-C1542 PolarHBondContact O-N 3.06Å; K1538-C1542 VanDerWaalsContact O-N 3.08Å; K1538-C1542 PolarHBondContact O-SG 2.96Å; L1539-C1542 WeakPolarHBondContact O-CB 3.44Å; L1539-C1542 PolarHBondContact O-N 2.83Å; C1542-F1544 PolarHBondContact O-N 2.97Å; C1542-F1544 VanDerWaalsContact O-N 3.14Å; C1542-F1544 WeakPolarHBondContact SG-CD2 3.41Å; C1542-F1544 PolarHBondContact SG-N 3.42Å; C1542-G1545 PolarHBondContact O-N 2.93Å; C1542-G1545 VanDerWaalsContact O-N 3.1Å; C1542-I1548 HydrophobicContact CB-CD1 4.36Å | ||
| 1543 | P | 70.9 | Confident | 76.5 | Confident | 99.4 Ų | 99.4 | 65.7 Ų | 65.7 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.4 | 177.1 | 24.4 | -32.8 | 0 | 0 | 0 | 113.2 | Q1338 | Q1338-P1543 WeakPolarHBondContact O-CG 3.43Š|
| 1544 | F | 71.8 | Confident | 76.7 | Confident | 20.8 Ų | 20.8 | 62.9 Ų | 62.9 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 14.6 | 176.9 | -11.3 | -78.2 | 0 | 0 | 0 | 113.7 | D1339 K1340 P1341 C1497 H1498 T1501 C1542 D1546 K1547 I1548 | D1339-F1544 WeakPolarHBondContact OD1-CB 3.17Å; K1340-F1544 HydrophobicContact CB-CG 4.45Å; K1340-F1544 HydrophobicContact CG-CD2 4.32Å; K1340-F1544 HydrophobicContact CG-CG 4.4Å; P1341-F1544 HydrophobicContact CB-CE1 4.34Å; C1497-F1544 HydrophobicContact CB-CD2 3.97Å; C1497-F1544 HydrophobicContact CB-CE2 3.72Å; C1497-F1544 HydrophobicContact CB-CZ 3.62Å; C1497-F1544 VanDerWaalsContact CB-CZ 3.44Å; H1498-F1544 AromaticContact CE1-CE1 3.74Å; H1498-F1544 VanDerWaalsContact CE1-CE1 3.49Å; H1498-F1544 WeakPolarHBondContact CE1-CE1 3.49Å; H1498-F1544 AromaticContact CE1-CE2 3.5Å; H1498-F1544 WeakPolarHBondContact CE1-CE2 3.38Å; H1498-F1544 AromaticContact CE1-CZ 3.53Å; H1498-F1544 VanDerWaalsContact CE1-CZ 3.45Å; H1498-F1544 WeakPolarHBondContact CE1-CZ 3.4Å; H1498-F1544 AromaticContact ND1-CE2 3.76Å; H1498-F1544 AromaticContact ND1-CZ 3.74Å; H1498-F1544 AromaticContact NE2-CE2 3.79Å; H1498-F1544 AromaticContact NE2-CZ 3.9Å; T1501-F1544 HydrophobicContact CG2-CB 4.21Å; T1501-F1544 HydrophobicContact CG2-CD1 4.41Å; T1501-F1544 HydrophobicContact CG2-CD2 4.18Å; T1501-F1544 HydrophobicContact CG2-CE2 4.11Å; T1501-F1544 HydrophobicContact CG2-CG 3.97Å; C1542-F1544 PolarHBondContact O-N 2.97Å; C1542-F1544 VanDerWaalsContact O-N 3.14Å; C1542-F1544 WeakPolarHBondContact SG-CD2 3.41Å; C1542-F1544 PolarHBondContact SG-N 3.42Å; F1544-D1546 VanDerWaalsContact C-N 3.33Å; F1544-D1546 PolarHBondContact O-N 3.03Å; F1544-K1547 HydrophobicContact CB-CB 4.34Å; F1544-K1547 HydrophobicContact CB-CD 4.08Å; F1544-K1547 HydrophobicContact CB-CG 4.42Å; F1544-K1547 HydrophobicContact CD1-CD 4.19Å; F1544-K1547 WeakPolarHBondContact O-CA 3.38Å; F1544-K1547 WeakPolarHBondContact O-CB 3.33Å; F1544-K1547 PolarHBondContact O-N 3.14Å; F1544-I1548 HydrophobicContact CB-CD1 4.41Å; F1544-I1548 HydrophobicContact CD2-CD1 4.23Å; F1544-I1548 HydrophobicContact CD2-CG1 4.21Å; F1544-I1548 HydrophobicContact CE2-CD1 4.09Å; F1544-I1548 HydrophobicContact CE2-CG1 4.14Å; F1544-I1548 WeakPolarHBondContact O-CG1 3.44Å; F1544-I1548 PolarHBondContact O-N 3.03Å |
| 1545 | G | 73.8 | Confident | 76.9 | Confident | 17.2 Ų | 17.2 | 59.4 Ų | 59.4 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51 | -45.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1542 K1547 I1548 D1549 | C1542-G1545 PolarHBondContact O-N 2.93Å; C1542-G1545 VanDerWaalsContact O-N 3.1Å; G1545-K1547 VanDerWaalsContact C-N 3.3Å; G1545-K1547 PolarHBondContact O-N 2.97Å; G1545-I1548 WeakPolarHBondContact O-CB 3.4Å; G1545-I1548 PolarHBondContact O-N 3.08Å; G1545-I1548 VanDerWaalsContact O-N 3.08Å; G1545-D1549 PolarHBondContact O-N 3.09Å |
| 1546 | D | 77.1 | Confident | 77 | Confident | 142.6 Ų | 142.6 | 62.4 Ų | 62.4 | 76% | 0.763 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.6 | -35.7 | 177.3 | -64.8 | -22.3 | 0 | 0 | 0 | 113 | F1544 A1550 | F1544-D1546 VanDerWaalsContact C-N 3.33Å; F1544-D1546 PolarHBondContact O-N 3.03Å; D1546-A1550 WeakPolarHBondContact O-CB 3.37Å; D1546-A1550 PolarHBondContact O-N 3.2Å |
| 1547 | K | 78.1 | Confident | 77 | Confident | 40.2 Ų | 40.2 | 62.4 Ų | 62.4 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.6 | -72.7 | -179 | 178.6 | -178.5 | 0 | 111.1 | D1339 K1340 P1341 N1342 T1501 F1544 G1545 D1549 A1550 M1551 W1581 | D1339-K1547 IonicContact OD1-NZ 2.73Å; D1339-K1547 PolarHBondContact OD1-NZ 3.48Å; D1339-K1547 IonicContact OD2-NZ 2.77Å; K1340-K1547 HydrophobicContact CB-CD 4Å; K1340-K1547 HydrophobicContact CD-CD 4.36Å; K1340-K1547 HydrophobicContact CG-CD 4.37Å; K1340-K1547 PolarHBondContact O-NZ 3.19Å; P1341-K1547 PolarHBondContact O-NZ 3.48Å; N1342-K1547 WeakPolarHBondContact OD1-CE 3.48Å; N1342-K1547 PolarHBondContact OD1-NZ 3.04Å; N1342-K1547 VanDerWaalsContact OD1-NZ 3.15Å; T1501-K1547 HydrophobicContact CG2-CB 4.32Å; F1544-K1547 HydrophobicContact CB-CB 4.34Å; F1544-K1547 HydrophobicContact CB-CD 4.08Å; F1544-K1547 HydrophobicContact CB-CG 4.42Å; F1544-K1547 HydrophobicContact CD1-CD 4.19Å; F1544-K1547 WeakPolarHBondContact O-CA 3.38Å; F1544-K1547 WeakPolarHBondContact O-CB 3.33Å; F1544-K1547 PolarHBondContact O-N 3.14Å; G1545-K1547 VanDerWaalsContact C-N 3.3Å; G1545-K1547 PolarHBondContact O-N 2.97Å; K1547-D1549 VanDerWaalsContact C-N 3.33Å; K1547-D1549 PolarHBondContact O-N 2.77Å; K1547-A1550 PolarHBondContact O-N 3.2Å; K1547-M1551 WeakPolarHBondContact O-CB 3.3Å; K1547-M1551 VanDerWaalsContact O-CG 3.25Å; K1547-M1551 WeakPolarHBondContact O-CG 3.37Å; K1547-M1551 PolarHBondContact O-N 3.11Å; K1547-W1581 HydrophobicContact CB-CD2 4.06Å; K1547-W1581 HydrophobicContact CB-CE3 3.91Å; K1547-W1581 HydrophobicContact CB-CG 4.34Å; K1547-W1581 HydrophobicContact CB-CH2 3.87Å; K1547-W1581 HydrophobicContact CB-CZ2 4Å; K1547-W1581 HydrophobicContact CB-CZ3 3.83Å; K1547-W1581 HydrophobicContact CD-CD2 3.99Å; K1547-W1581 HydrophobicContact CD-CE3 4.21Å; K1547-W1581 HydrophobicContact CD-CG 4.28Å; K1547-W1581 HydrophobicContact CD-CH2 4.35Å; K1547-W1581 HydrophobicContact CD-CZ2 4.13Å; K1547-W1581 HydrophobicContact CD-CZ3 4.26Å; K1547-W1581 HydrophobicContact CG-CD2 3.9Å; K1547-W1581 HydrophobicContact CG-CE3 4.14Å; K1547-W1581 HydrophobicContact CG-CG 4.15Å; K1547-W1581 HydrophobicContact CG-CH2 4.48Å; K1547-W1581 HydrophobicContact CG-CZ2 4.35Å; K1547-W1581 HydrophobicContact CG-CZ3 4.35Å; K1547-W1581 VanDerWaalsContact O-CZ3 3.25Å; K1547-W1581 WeakPolarHBondContact O-CZ3 3.24Å |
| 1548 | I | 77.9 | Confident | 76.8 | Confident | 4.2 Ų | 4.2 | 56.4 Ų | 56.4 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.1 | -64 | 170.4 | 0 | 0 | 0 | 110.1 | C1497 T1501 L1521 L1539 C1542 F1544 G1545 A1550 M1551 K1552 | C1497-I1548 HydrophobicContact CB-CD1 4.11Å; T1501-I1548 HydrophobicContact CG2-CB 4.44Å; T1501-I1548 HydrophobicContact CG2-CD1 4.41Å; T1501-I1548 HydrophobicContact CG2-CG1 3.6Å; L1521-I1548 HydrophobicContact CD2-CG2 4.2Å; L1539-I1548 HydrophobicContact CD1-CD1 4.01Å; L1539-I1548 HydrophobicContact CD1-CG2 4.24Å; L1539-I1548 HydrophobicContact CD2-CD1 3.89Å; L1539-I1548 HydrophobicContact CD2-CG2 4.29Å; C1542-I1548 HydrophobicContact CB-CD1 4.36Å; F1544-I1548 HydrophobicContact CB-CD1 4.41Å; F1544-I1548 HydrophobicContact CD2-CD1 4.23Å; F1544-I1548 HydrophobicContact CD2-CG1 4.21Å; F1544-I1548 HydrophobicContact CE2-CD1 4.09Å; F1544-I1548 HydrophobicContact CE2-CG1 4.14Å; F1544-I1548 WeakPolarHBondContact O-CG1 3.44Å; F1544-I1548 PolarHBondContact O-N 3.03Å; G1545-I1548 WeakPolarHBondContact O-CB 3.4Å; G1545-I1548 PolarHBondContact O-N 3.08Å; G1545-I1548 VanDerWaalsContact O-N 3.08Å; I1548-A1550 PolarHBondContact O-N 3.16Å; I1548-M1551 PolarHBondContact O-N 3.16Å; I1548-K1552 VanDerWaalsContact O-CB 3.29Å; I1548-K1552 WeakPolarHBondContact O-CB 3.35Å; I1548-K1552 PolarHBondContact O-N 3.32Å |
| 1549 | D | 79.5 | Confident | 76.7 | Confident | 79.8 Ų | 79.8 | 56.5 Ų | 56.5 | 43% | 0.427 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 177.3 | -90 | -8.8 | 0 | 0 | 0 | 112.8 | G1545 K1547 K1552 K1553 | G1545-D1549 PolarHBondContact O-N 3.09Å; K1547-D1549 VanDerWaalsContact C-N 3.33Å; K1547-D1549 PolarHBondContact O-N 2.77Å; D1549-K1552 PolarHBondContact O-N 2.98Å; D1549-K1553 WeakPolarHBondContact O-CB 3.33Å; D1549-K1553 WeakPolarHBondContact O-CD 3.2Å; D1549-K1553 VanDerWaalsContact O-CG 3.3Å; D1549-K1553 WeakPolarHBondContact O-CG 3.36Å; D1549-K1553 PolarHBondContact O-N 2.84Å |
| 1550 | A | 80.1 | Confident | 76.3 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1546 K1547 I1548 K1552 K1553 F1554 S1579 W1581 I1582 | D1546-A1550 WeakPolarHBondContact O-CB 3.37Å; D1546-A1550 PolarHBondContact O-N 3.2Å; K1547-A1550 PolarHBondContact O-N 3.2Å; I1548-A1550 PolarHBondContact O-N 3.16Å; A1550-K1552 VanDerWaalsContact C-N 3.33Å; A1550-K1552 PolarHBondContact O-N 3.02Å; A1550-K1553 PolarHBondContact O-N 3.05Å; A1550-F1554 WeakPolarHBondContact O-CB 3.47Å; A1550-F1554 PolarHBondContact O-N 3.32Å; A1550-S1579 WeakPolarHBondContact CB-OG 3.48Å; A1550-W1581 HydrophobicContact CB-CE3 4.18Å; A1550-W1581 HydrophobicContact CB-CZ3 4.45Å; A1550-I1582 VanDerWaalsContact C-CD1 3.48Å; A1550-I1582 HydrophobicContact CB-CD1 4.07Å; A1550-I1582 HydrophobicContact CB-CG1 4.46Å; A1550-I1582 VanDerWaalsContact O-CD1 3.23Å; A1550-I1582 WeakPolarHBondContact O-CD1 3.38Å |
| 1551 | M | 81.4 | Confident | 76 | Confident | 1.8 Ų | 1.8 | 57.1 Ų | 57.1 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.1 | -157 | 75 | 109.7 | 0 | 0 | 111.7 | T1501 P1503 I1506 K1547 I1548 K1553 F1554 I1555 F1569 W1581 L1585 | T1501-M1551 WeakPolarHBondContact O-CE 3.43Å; P1503-M1551 HydrophobicContact CB-CE 4.12Å; P1503-M1551 HydrophobicContact CG-CE 4.23Å; I1506-M1551 HydrophobicContact CD1-CE 3.66Å; I1506-M1551 HydrophobicContact CD1-CG 3.43Å; I1506-M1551 VanDerWaalsContact CD1-CG 3.49Å; I1506-M1551 HydrophobicContact CD1-SD 3.68Å; I1506-M1551 VanDerWaalsContact CD1-SD 3.56Å; I1506-M1551 WeakPolarHBondContact CD1-SD 3.45Å; I1506-M1551 HydrophobicContact CG1-CE 4.49Å; K1547-M1551 WeakPolarHBondContact O-CB 3.3Å; K1547-M1551 VanDerWaalsContact O-CG 3.25Å; K1547-M1551 WeakPolarHBondContact O-CG 3.37Å; K1547-M1551 PolarHBondContact O-N 3.11Å; I1548-M1551 PolarHBondContact O-N 3.16Å; M1551-K1553 PolarHBondContact O-N 3.2Å; M1551-F1554 WeakPolarHBondContact O-CB 3.37Å; M1551-F1554 PolarHBondContact O-N 2.79Å; M1551-I1555 HydrophobicContact CG-CD1 3.81Å; M1551-I1555 HydrophobicContact CG-CG1 4.46Å; M1551-I1555 WeakPolarHBondContact O-CB 3.33Å; M1551-I1555 VanDerWaalsContact O-CG1 3.3Å; M1551-I1555 WeakPolarHBondContact O-CG1 3.26Å; M1551-I1555 PolarHBondContact O-N 3.11Å; M1551-I1555 HydrophobicContact SD-CD1 4.16Å; M1551-I1555 HydrophobicContact SD-CG1 4.4Å; M1551-F1569 HydrophobicContact CE-CE1 4.36Å; M1551-F1569 HydrophobicContact CE-CE2 4.14Å; M1551-F1569 HydrophobicContact CE-CZ 3.81Å; M1551-F1569 VanDerWaalsContact CE-CZ 3.44Å; M1551-F1569 HydrophobicContact SD-CE2 3.93Å; M1551-F1569 HydrophobicContact SD-CZ 3.7Å; M1551-W1581 HydrophobicContact CB-CH2 4.24Å; M1551-W1581 HydrophobicContact CB-CZ3 4.27Å; M1551-W1581 HydrophobicContact CE-CB 4.03Å; M1551-W1581 HydrophobicContact CE-CD2 3.81Å; M1551-W1581 HydrophobicContact CE-CE3 3.56Å; M1551-W1581 HydrophobicContact CE-CG 4.04Å; M1551-W1581 HydrophobicContact CE-CH2 4.08Å; M1551-W1581 HydrophobicContact CE-CZ3 4.22Å; M1551-W1581 HydrophobicContact CG-CD2 3.95Å; M1551-W1581 HydrophobicContact CG-CE3 3.75Å; M1551-W1581 HydrophobicContact CG-CH2 3.75Å; M1551-W1581 HydrophobicContact CG-CZ2 3.96Å; M1551-W1581 HydrophobicContact CG-CZ3 3.64Å; M1551-W1581 HydrophobicContact SD-CE3 4.49Å; M1551-L1585 HydrophobicContact CE-CD1 3.74Å |
| 1552 | K | 80.4 | Confident | 75.7 | Confident | 50.4 Ų | 50.4 | 53.1 Ų | 53.1 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 176.6 | -177.3 | 176.1 | -178.6 | 168.5 | 0 | 111.9 | L1521 N1522 I1548 D1549 A1550 F1554 I1555 C1556 | L1521-K1552 HydrophobicContact CB-CD 4.43Å; L1521-K1552 HydrophobicContact CB-CG 4.37Å; L1521-K1552 HydrophobicContact CD1-CB 4.46Å; L1521-K1552 HydrophobicContact CD1-CG 4.39Å; L1521-K1552 HydrophobicContact CD2-CB 4.38Å; L1521-K1552 WeakPolarHBondContact O-CD 3.34Å; L1521-K1552 WeakPolarHBondContact O-CE 3.28Å; L1521-K1552 PolarHBondContact O-NZ 3.16Å; L1521-K1552 VanDerWaalsContact O-NZ 3.07Å; N1522-K1552 WeakPolarHBondContact OD1-CE 3.44Å; N1522-K1552 PolarHBondContact OD1-NZ 3.34Å; I1548-K1552 VanDerWaalsContact O-CB 3.29Å; I1548-K1552 WeakPolarHBondContact O-CB 3.35Å; I1548-K1552 PolarHBondContact O-N 3.32Å; D1549-K1552 PolarHBondContact O-N 2.98Å; A1550-K1552 VanDerWaalsContact C-N 3.33Å; A1550-K1552 PolarHBondContact O-N 3.02Å; K1552-F1554 VanDerWaalsContact C-N 3.32Å; K1552-F1554 PolarHBondContact O-N 3.1Å; K1552-I1555 PolarHBondContact O-N 3.09Å; K1552-C1556 WeakPolarHBondContact O-CB 3.34Å; K1552-C1556 PolarHBondContact O-N 3.04Å; K1552-C1556 PolarHBondContact O-SG 3.13Å |
| 1553 | K | 80.5 | Confident | 75.6 | Confident | 147.8 Ų | 147.8 | 55 Ų | 55 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 175.7 | -74.8 | 171.5 | -176.5 | 169.1 | 0 | 111.5 | D1549 A1550 M1551 C1556 V1557 | D1549-K1553 WeakPolarHBondContact O-CB 3.33Å; D1549-K1553 WeakPolarHBondContact O-CD 3.2Å; D1549-K1553 VanDerWaalsContact O-CG 3.3Å; D1549-K1553 WeakPolarHBondContact O-CG 3.36Å; D1549-K1553 PolarHBondContact O-N 2.84Å; A1550-K1553 PolarHBondContact O-N 3.05Å; M1551-K1553 PolarHBondContact O-N 3.2Å; K1553-C1556 PolarHBondContact O-N 3.36Å; K1553-V1557 VanDerWaalsContact O-CG2 3.3Å; K1553-V1557 WeakPolarHBondContact O-CG2 3.3Å; K1553-V1557 PolarHBondContact O-N 3.01Å; K1553-V1557 VanDerWaalsContact O-N 3.1Å |
| 1554 | F | 80.9 | Confident | 75.2 | Confident | 12.8 Ų | 12.8 | 56.6 Ų | 56.6 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.8 | -179.7 | -96 | 0 | 0 | 0 | 112.7 | A1550 M1551 K1552 C1556 V1557 N1558 L1562 F1569 L1572 A1573 Q1576 W1581 I1582 | A1550-F1554 WeakPolarHBondContact O-CB 3.47Å; A1550-F1554 PolarHBondContact O-N 3.32Å; M1551-F1554 WeakPolarHBondContact O-CB 3.37Å; M1551-F1554 PolarHBondContact O-N 2.79Å; K1552-F1554 VanDerWaalsContact C-N 3.32Å; K1552-F1554 PolarHBondContact O-N 3.1Å; F1554-C1556 PolarHBondContact O-N 3.35Å; F1554-V1557 PolarHBondContact O-N 3.05Å; F1554-N1558 WeakPolarHBondContact CD2-ND2 3.32Å; F1554-N1558 HydrophobicContact CE1-CB 4.46Å; F1554-N1558 VanDerWaalsContact CE2-ND2 3.32Å; F1554-N1558 WeakPolarHBondContact CE2-ND2 3.4Å; F1554-N1558 HydrophobicContact CZ-CB 4.29Å; F1554-N1558 VanDerWaalsContact CZ-ND2 3.32Å; F1554-N1558 WeakPolarHBondContact CZ-ND2 3.33Å; F1554-N1558 WeakPolarHBondContact O-CB 3.31Å; F1554-N1558 PolarHBondContact O-N 3.15Å; F1554-N1558 VanDerWaalsContact O-N 3.1Å; F1554-N1558 PolarHBondContact O-ND2 3.12Å; F1554-N1558 VanDerWaalsContact O-ND2 3.11Å; F1554-L1562 HydrophobicContact CD1-CD1 4.45Å; F1554-L1562 HydrophobicContact CE1-CD1 4.13Å; F1554-L1562 HydrophobicContact CE1-CD2 4.4Å; F1554-F1569 HydrophobicContact CD1-CD2 4.37Å; F1554-F1569 AromaticContact CD1-CE2 3.71Å; F1554-F1569 HydrophobicContact CD1-CE2 3.71Å; F1554-F1569 AromaticContact CD1-CZ 3.96Å; F1554-F1569 HydrophobicContact CD1-CZ 4Å; F1554-F1569 AromaticContact CE1-CD2 3.75Å; F1554-F1569 HydrophobicContact CE1-CD2 3.75Å; F1554-F1569 HydrophobicContact CE1-CE1 4.27Å; F1554-F1569 AromaticContact CE1-CE2 3.47Å; F1554-F1569 HydrophobicContact CE1-CE2 3.47Å; F1554-F1569 VanDerWaalsContact CE1-CE2 3.48Å; F1554-F1569 HydrophobicContact CE1-CG 4.38Å; F1554-F1569 AromaticContact CE1-CZ 3.69Å; F1554-F1569 HydrophobicContact CE1-CZ 3.78Å; F1554-F1569 HydrophobicContact CZ-CD2 4.27Å; F1554-F1569 AromaticContact CZ-CE2 3.46Å; F1554-F1569 HydrophobicContact CZ-CE2 4.21Å; F1554-F1569 VanDerWaalsContact CZ-CE2 3.46Å; F1554-F1569 HydrophobicContact CZ-CZ 4.15Å; F1554-L1572 HydrophobicContact CE2-CB 4.28Å; F1554-L1572 HydrophobicContact CZ-CB 3.7Å; F1554-A1573 HydrophobicContact CE2-CB 4.35Å; F1554-A1573 HydrophobicContact CZ-CB 4.05Å; F1554-Q1576 VanDerWaalsContact CD2-OE1 3.23Å; F1554-Q1576 HydrophobicContact CE2-CB 4.48Å; F1554-Q1576 VanDerWaalsContact CE2-OE1 3.25Å; F1554-W1581 HydrophobicContact CB-CH2 3.66Å; F1554-W1581 HydrophobicContact CB-CZ2 3.95Å; F1554-W1581 AromaticContact CD1-CH2 3.58Å; F1554-W1581 HydrophobicContact CD1-CH2 3.58Å; F1554-W1581 HydrophobicContact CD1-CZ3 4.29Å; F1554-W1581 HydrophobicContact CD2-CH2 4.42Å; F1554-W1581 HydrophobicContact CE1-CH2 4.42Å; F1554-W1581 AromaticContact CG-CH2 3.61Å; F1554-W1581 HydrophobicContact CG-CH2 3.61Å; F1554-W1581 HydrophobicContact CG-CZ2 4.11Å; F1554-I1582 HydrophobicContact CB-CD1 3.58Å; F1554-I1582 VanDerWaalsContact CB-CD1 3.5Å; F1554-I1582 HydrophobicContact CD2-CD1 4.22Å; F1554-I1582 HydrophobicContact CD2-CG2 3.91Å; F1554-I1582 HydrophobicContact CE2-CD1 3.95Å; F1554-I1582 HydrophobicContact CE2-CG2 4Å; F1554-I1582 HydrophobicContact CG-CD1 4.06Å; F1554-I1582 HydrophobicContact CG-CG2 4.2Å; F1554-I1582 HydrophobicContact CZ-CG2 4.35Å |
| 1555 | I | 79.9 | Confident | 74.9 | Confident | 0.6 Ų | 0.6 | 61.2 Ų | 61.2 | 0% | 0.003 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.4 | -65.7 | 164.8 | 0 | 0 | 0 | 110.3 | I1506 L1517 M1518 L1521 M1551 K1552 V1557 N1558 Y1559 L1562 | I1506-I1555 HydrophobicContact CD1-CD1 3.87Å; I1506-I1555 HydrophobicContact CG1-CD1 4.23Å; I1506-I1555 HydrophobicContact CG2-CD1 3.94Å; I1506-I1555 HydrophobicContact CG2-CG1 4.26Å; L1517-I1555 HydrophobicContact CD2-CB 4.46Å; L1517-I1555 HydrophobicContact CD2-CD1 4.11Å; L1517-I1555 VanDerWaalsContact CD2-CD1 3.5Å; L1517-I1555 HydrophobicContact CD2-CG1 4.46Å; L1517-I1555 HydrophobicContact CD2-CG2 3.95Å; M1518-I1555 HydrophobicContact SD-CG2 4.08Å; L1521-I1555 HydrophobicContact CD1-CD1 3.9Å; L1521-I1555 HydrophobicContact CD1-CG2 4.45Å; M1551-I1555 HydrophobicContact CG-CD1 3.81Å; M1551-I1555 HydrophobicContact CG-CG1 4.46Å; M1551-I1555 WeakPolarHBondContact O-CB 3.33Å; M1551-I1555 VanDerWaalsContact O-CG1 3.3Å; M1551-I1555 WeakPolarHBondContact O-CG1 3.26Å; M1551-I1555 PolarHBondContact O-N 3.11Å; M1551-I1555 HydrophobicContact SD-CD1 4.16Å; M1551-I1555 HydrophobicContact SD-CG1 4.4Å; K1552-I1555 PolarHBondContact O-N 3.09Å; I1555-V1557 VanDerWaalsContact C-N 3.29Å; I1555-V1557 PolarHBondContact O-N 2.98Å; I1555-N1558 CarbonylContact O-C 3.51Å; I1555-N1558 PolarHBondContact O-N 3.05Å; I1555-N1558 VanDerWaalsContact O-N 3.15Å; I1555-Y1559 HydrophobicContact CG2-CD2 4.16Å; I1555-Y1559 VanDerWaalsContact O-CA 3.28Å; I1555-Y1559 WeakPolarHBondContact O-CA 3.41Å; I1555-Y1559 VanDerWaalsContact O-CB 3.26Å; I1555-Y1559 WeakPolarHBondContact O-CB 3.37Å; I1555-Y1559 PolarHBondContact O-N 3.16Å; I1555-L1562 HydrophobicContact CG1-CD1 4.43Å |
| 1556 | C | 77.7 | Confident | 74.6 | Confident | 68.4 Ų | 68.4 | 61.5 Ų | 61.5 | 46% | 0.462 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58 | -40 | 177.5 | -75.3 | 0 | 0 | 0 | 0 | 113 | M1518 K1552 K1553 F1554 | M1518-C1556 VanDerWaalsContact CE-SG 3.58Å; M1518-C1556 WeakPolarHBondContact CE-SG 3.42Å; K1552-C1556 WeakPolarHBondContact O-CB 3.34Å; K1552-C1556 PolarHBondContact O-N 3.04Å; K1552-C1556 PolarHBondContact O-SG 3.13Å; K1553-C1556 PolarHBondContact O-N 3.36Å; F1554-C1556 PolarHBondContact O-N 3.35Å |
| 1557 | V | 76.3 | Confident | 74.1 | Confident | 95.8 Ų | 95.8 | 60.7 Ų | 60.7 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -73 | -36.5 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | K1553 F1554 I1555 Q1576 V1633 | K1553-V1557 VanDerWaalsContact O-CG2 3.3Å; K1553-V1557 WeakPolarHBondContact O-CG2 3.3Å; K1553-V1557 PolarHBondContact O-N 3.01Å; K1553-V1557 VanDerWaalsContact O-N 3.1Å; F1554-V1557 PolarHBondContact O-N 3.05Å; I1555-V1557 VanDerWaalsContact C-N 3.29Å; I1555-V1557 PolarHBondContact O-N 2.98Å; V1557-Q1576 VanDerWaalsContact CG1-NE2 3.28Å; V1557-V1633 VanDerWaalsContact O-CG1 3.29Å; V1557-V1633 WeakPolarHBondContact O-CG1 3.29Å |
| 1558 | N | 74 | Confident | 73.7 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -106.9 | 10.3 | -172.9 | -60.5 | -49.3 | 0 | 0 | 0 | 114.2 | F1554 I1555 E1560 F1561 L1562 L1572 Q1576 | F1554-N1558 WeakPolarHBondContact CD2-ND2 3.32Å; F1554-N1558 HydrophobicContact CE1-CB 4.46Å; F1554-N1558 VanDerWaalsContact CE2-ND2 3.32Å; F1554-N1558 WeakPolarHBondContact CE2-ND2 3.4Å; F1554-N1558 HydrophobicContact CZ-CB 4.29Å; F1554-N1558 VanDerWaalsContact CZ-ND2 3.32Å; F1554-N1558 WeakPolarHBondContact CZ-ND2 3.33Å; F1554-N1558 WeakPolarHBondContact O-CB 3.31Å; F1554-N1558 PolarHBondContact O-N 3.15Å; F1554-N1558 VanDerWaalsContact O-N 3.1Å; F1554-N1558 PolarHBondContact O-ND2 3.12Å; F1554-N1558 VanDerWaalsContact O-ND2 3.11Å; I1555-N1558 CarbonylContact O-C 3.51Å; I1555-N1558 PolarHBondContact O-N 3.05Å; I1555-N1558 VanDerWaalsContact O-N 3.15Å; N1558-E1560 VanDerWaalsContact C-N 3.33Å; N1558-E1560 PolarHBondContact O-N 3.15Å; N1558-F1561 WeakPolarHBondContact O-CB 3.14Å; N1558-F1561 PolarHBondContact O-N 3.29Å; N1558-F1561 VanDerWaalsContact O-N 3.09Å; N1558-L1562 HydrophobicContact CB-CD1 3.86Å; N1558-L1562 HydrophobicContact CB-CG 4.03Å; N1558-L1562 WeakPolarHBondContact O-CB 3.09Å; N1558-L1562 WeakPolarHBondContact O-CG 3.34Å; N1558-L1562 PolarHBondContact O-N 3.04Å; N1558-L1572 HydrophobicContact CB-CD1 4Å; N1558-Q1576 PolarHBondContact ND2-OE1 3.05Å; N1558-Q1576 PolarHBondContact OD1-NE2 3.08Å; N1558-Q1576 PolarHBondContact OD1-OE1 3.1Å |
| 1559 | Y | 73.1 | Confident | 73.7 | Confident | 55.4 Ų | 55.4 | 59.9 Ų | 59.9 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | -168 | -178.2 | -101.8 | 0 | 0 | 0 | 112.5 | T1104 L1510 P1514 M1518 I1555 F1561 L1562 V1563 | T1104-Y1559 VanDerWaalsContact O-CE1 3.26Å; T1104-Y1559 WeakPolarHBondContact O-CE1 3.31Å; L1510-Y1559 HydrophobicContact CD2-CD2 4.21Å; L1510-Y1559 HydrophobicContact CD2-CE2 4.1Å; P1514-Y1559 HydrophobicContact CB-CE2 4.29Å; P1514-Y1559 WeakPolarHBondContact CB-OH 2.92Å; P1514-Y1559 WeakPolarHBondContact O-CE2 3.04Å; P1514-Y1559 PolarHBondContact O-OH 3Å; M1518-Y1559 HydrophobicContact CG-CD2 4.11Å; M1518-Y1559 HydrophobicContact CG-CE2 3.72Å; M1518-Y1559 HydrophobicContact SD-CD2 4.18Å; M1518-Y1559 HydrophobicContact SD-CE2 4.12Å; I1555-Y1559 HydrophobicContact CG2-CD2 4.16Å; I1555-Y1559 VanDerWaalsContact O-CA 3.28Å; I1555-Y1559 WeakPolarHBondContact O-CA 3.41Å; I1555-Y1559 VanDerWaalsContact O-CB 3.26Å; I1555-Y1559 WeakPolarHBondContact O-CB 3.37Å; I1555-Y1559 PolarHBondContact O-N 3.16Å; Y1559-F1561 VanDerWaalsContact C-N 3.32Å; Y1559-F1561 PolarHBondContact O-N 3.08Å; Y1559-L1562 PolarHBondContact O-N 3.1Å; Y1559-V1563 HydrophobicContact CD1-CG2 4.27Å; Y1559-V1563 HydrophobicContact CD2-CG2 4.24Å; Y1559-V1563 HydrophobicContact CE1-CG2 4.07Å; Y1559-V1563 HydrophobicContact CE2-CG2 4.01Å; Y1559-V1563 HydrophobicContact CG-CG2 4.4Å; Y1559-V1563 WeakPolarHBondContact O-CB 3.3Å; Y1559-V1563 VanDerWaalsContact O-CG2 3.26Å; Y1559-V1563 WeakPolarHBondContact O-CG2 3.33Å; Y1559-V1563 PolarHBondContact O-N 3.13Å |
| 1560 | E | 67.2 | Low | 73.3 | Confident | 139.2 Ų | 139.2 | 56.7 Ų | 56.7 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.6 | -35.9 | -179.6 | -66.2 | -167.6 | 165.8 | 0 | 0 | 112.8 | N1558 V1563 K1564 S1638 M1639 | N1558-E1560 VanDerWaalsContact C-N 3.33Å; N1558-E1560 PolarHBondContact O-N 3.15Å; E1560-V1563 PolarHBondContact O-N 2.82Å; E1560-K1564 WeakPolarHBondContact O-CB 3.48Å; E1560-K1564 VanDerWaalsContact O-CG 3.32Å; E1560-K1564 WeakPolarHBondContact O-CG 3.32Å; E1560-K1564 PolarHBondContact O-N 3.09Å; E1560-K1564 IonicContact OE2-NZ 3.61Å; E1560-K1564 PolarHBondContact OE2-NZ 3.41Å; E1560-S1638 VanDerWaalsContact OE2-C 3.3Å; E1560-S1638 PolarHBondContact OE2-N 3.25Å; E1560-M1639 PolarHBondContact OE2-N 3.23Å |
| 1561 | F | 67.4 | Low | 72.7 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.8 | -45.1 | 179.4 | -174.9 | -93.8 | 0 | 0 | 0 | 111.7 | N1558 Y1559 V1563 K1564 Y1565 S1568 F1569 L1572 | N1558-F1561 WeakPolarHBondContact O-CB 3.14Å; N1558-F1561 PolarHBondContact O-N 3.29Å; N1558-F1561 VanDerWaalsContact O-N 3.09Å; Y1559-F1561 VanDerWaalsContact C-N 3.32Å; Y1559-F1561 PolarHBondContact O-N 3.08Å; F1561-V1563 VanDerWaalsContact C-N 3.31Å; F1561-V1563 PolarHBondContact O-N 3.16Å; F1561-K1564 CarbonylContact O-C 3.54Å; F1561-K1564 PolarHBondContact O-N 3.16Å; F1561-K1564 VanDerWaalsContact O-N 3.1Å; F1561-Y1565 AromaticContact CD2-CD2 3.93Å; F1561-Y1565 HydrophobicContact CD2-CD2 4.02Å; F1561-Y1565 HydrophobicContact CD2-CE2 4.46Å; F1561-Y1565 HydrophobicContact CE1-CD2 4.39Å; F1561-Y1565 AromaticContact CE2-CD2 3.74Å; F1561-Y1565 HydrophobicContact CE2-CD2 3.81Å; F1561-Y1565 HydrophobicContact CE2-CE2 4.21Å; F1561-Y1565 HydrophobicContact CE2-CG 4.42Å; F1561-Y1565 HydrophobicContact CG-CD2 4.44Å; F1561-Y1565 AromaticContact CZ-CD2 3.9Å; F1561-Y1565 HydrophobicContact CZ-CD2 3.93Å; F1561-Y1565 HydrophobicContact CZ-CG 4.43Å; F1561-Y1565 CarbonylContact O-C 3.59Å; F1561-Y1565 WeakPolarHBondContact O-CA 3.4Å; F1561-Y1565 PolarHBondContact O-N 3.08Å; F1561-S1568 WeakPolarHBondContact CE1-OG 3.39Å; F1561-F1569 HydrophobicContact CD1-CB 4.19Å; F1561-F1569 HydrophobicContact CE1-CB 3.76Å; F1561-F1569 HydrophobicContact CE1-CD2 4.36Å; F1561-L1572 HydrophobicContact CD1-CD1 3.49Å; F1561-L1572 VanDerWaalsContact CD1-CD1 3.44Å; F1561-L1572 HydrophobicContact CD1-CD2 4.48Å; F1561-L1572 HydrophobicContact CD1-CG 4.36Å; F1561-L1572 HydrophobicContact CE1-CD1 3.84Å; F1561-L1572 HydrophobicContact CE1-CD2 4.45Å; F1561-L1572 HydrophobicContact CE1-CG 4.24Å; F1561-L1572 HydrophobicContact CG-CD1 4.43Å; F1561-L1572 HydrophobicContact CZ-CD1 3.64Å |
| 1562 | L | 70.4 | Confident | 72.2 | Confident | 2.4 Ų | 2.4 | 61.4 Ų | 61.4 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.2 | -29.4 | 179.9 | -72 | 171.5 | 0 | 0 | 0 | 112.9 | L1510 F1554 I1555 N1558 Y1559 K1564 Y1565 P1566 F1569 L1572 | L1510-L1562 HydrophobicContact CD1-CB 3.76Å; L1510-L1562 HydrophobicContact CD1-CD1 4.36Å; L1510-L1562 HydrophobicContact CD2-CB 4.41Å; F1554-L1562 HydrophobicContact CD1-CD1 4.45Å; F1554-L1562 HydrophobicContact CE1-CD1 4.13Å; F1554-L1562 HydrophobicContact CE1-CD2 4.4Å; I1555-L1562 HydrophobicContact CG1-CD1 4.43Å; N1558-L1562 HydrophobicContact CB-CD1 3.86Å; N1558-L1562 HydrophobicContact CB-CG 4.03Å; N1558-L1562 WeakPolarHBondContact O-CB 3.09Å; N1558-L1562 WeakPolarHBondContact O-CG 3.34Å; N1558-L1562 PolarHBondContact O-N 3.04Å; Y1559-L1562 PolarHBondContact O-N 3.1Å; L1562-K1564 VanDerWaalsContact C-N 3.32Å; L1562-K1564 PolarHBondContact O-N 2.87Å; L1562-Y1565 CarbonylContact O-C 3.56Å; L1562-P1566 VanDerWaalsContact O-CA 3.27Å; L1562-P1566 WeakPolarHBondContact O-CA 3.29Å; L1562-P1566 WeakPolarHBondContact O-CB 3.03Å; L1562-P1566 WeakPolarHBondContact O-CD 3.45Å; L1562-P1566 WeakPolarHBondContact O-CG 3.22Å; L1562-F1569 HydrophobicContact CD1-CD2 4.24Å; L1562-F1569 HydrophobicContact CD2-CB 4.04Å; L1562-F1569 HydrophobicContact CD2-CD1 3.5Å; L1562-F1569 HydrophobicContact CD2-CD2 4.09Å; L1562-F1569 HydrophobicContact CD2-CE1 3.72Å; L1562-F1569 HydrophobicContact CD2-CE2 3.84Å; L1562-F1569 HydrophobicContact CD2-CG 3.94Å; L1562-F1569 VanDerWaalsContact CD2-CG 3.41Å; L1562-F1569 HydrophobicContact CD2-CZ 3.87Å; L1562-L1572 HydrophobicContact CD2-CD1 3.81Å; L1562-L1572 HydrophobicContact CG-CD1 4.09Å |
| 1563 | V | 68.3 | Low | 71.9 | Confident | 51.6 Ų | 51.6 | 59 Ų | 59 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 172.9 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L1510 P1514 Y1559 E1560 F1561 | L1510-V1563 HydrophobicContact CD2-CG2 3.92Å; P1514-V1563 HydrophobicContact CB-CG1 4.13Å; P1514-V1563 HydrophobicContact CB-CG2 3.95Å; P1514-V1563 HydrophobicContact CG-CG1 4.4Å; Y1559-V1563 HydrophobicContact CD1-CG2 4.27Å; Y1559-V1563 HydrophobicContact CD2-CG2 4.24Å; Y1559-V1563 HydrophobicContact CE1-CG2 4.07Å; Y1559-V1563 HydrophobicContact CE2-CG2 4.01Å; Y1559-V1563 HydrophobicContact CG-CG2 4.4Å; Y1559-V1563 WeakPolarHBondContact O-CB 3.3Å; Y1559-V1563 VanDerWaalsContact O-CG2 3.26Å; Y1559-V1563 WeakPolarHBondContact O-CG2 3.33Å; Y1559-V1563 PolarHBondContact O-N 3.13Å; E1560-V1563 PolarHBondContact O-N 2.82Å; F1561-V1563 VanDerWaalsContact C-N 3.31Å; F1561-V1563 PolarHBondContact O-N 3.16Å |
| 1564 | K | 62.6 | Low | 71.3 | Confident | 132.8 Ų | 132.8 | 53 Ų | 53 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -79.7 | -37 | 178.6 | -104.8 | 178.4 | -179.9 | -175.2 | 0 | 112.8 | E1560 F1561 L1562 E1673 | E1560-K1564 WeakPolarHBondContact O-CB 3.48Å; E1560-K1564 VanDerWaalsContact O-CG 3.32Å; E1560-K1564 WeakPolarHBondContact O-CG 3.32Å; E1560-K1564 PolarHBondContact O-N 3.09Å; E1560-K1564 IonicContact OE2-NZ 3.61Å; E1560-K1564 PolarHBondContact OE2-NZ 3.41Å; F1561-K1564 CarbonylContact O-C 3.54Å; F1561-K1564 PolarHBondContact O-N 3.16Å; F1561-K1564 VanDerWaalsContact O-N 3.1Å; L1562-K1564 VanDerWaalsContact C-N 3.32Å; L1562-K1564 PolarHBondContact O-N 2.87Å; K1564-E1673 VanDerWaalsContact NZ-CD 3.35Å; K1564-E1673 IonicContact NZ-OE1 3.51Å; K1564-E1673 PolarHBondContact NZ-OE1 3.37Å; K1564-E1673 IonicContact NZ-OE2 3.35Å; K1564-E1673 PolarHBondContact NZ-OE2 3.04Å; K1564-E1673 VanDerWaalsContact NZ-OE2 3.15Å |
| 1565 | Y | 66.7 | Low | 70.3 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | trans | -133.1 | 69.5 | -174.7 | -53.5 | -71.4 | 0 | 0 | 0 | 111.3 | F1561 L1562 N1567 S1568 F1569 E1673 | F1561-Y1565 AromaticContact CD2-CD2 3.93Å; F1561-Y1565 HydrophobicContact CD2-CD2 4.02Å; F1561-Y1565 HydrophobicContact CD2-CE2 4.46Å; F1561-Y1565 HydrophobicContact CE1-CD2 4.39Å; F1561-Y1565 AromaticContact CE2-CD2 3.74Å; F1561-Y1565 HydrophobicContact CE2-CD2 3.81Å; F1561-Y1565 HydrophobicContact CE2-CE2 4.21Å; F1561-Y1565 HydrophobicContact CE2-CG 4.42Å; F1561-Y1565 HydrophobicContact CG-CD2 4.44Å; F1561-Y1565 AromaticContact CZ-CD2 3.9Å; F1561-Y1565 HydrophobicContact CZ-CD2 3.93Å; F1561-Y1565 HydrophobicContact CZ-CG 4.43Å; F1561-Y1565 CarbonylContact O-C 3.59Å; F1561-Y1565 WeakPolarHBondContact O-CA 3.4Å; F1561-Y1565 PolarHBondContact O-N 3.08Å; L1562-Y1565 CarbonylContact O-C 3.56Å; Y1565-N1567 VanDerWaalsContact C-N 3.31Å; Y1565-N1567 PolarHBondContact O-N 3.11Å; Y1565-N1567 VanDerWaalsContact O-N 3.15Å; Y1565-S1568 WeakPolarHBondContact CB-OG 3.36Å; Y1565-S1568 WeakPolarHBondContact O-CB 3.46Å; Y1565-S1568 PolarHBondContact O-N 2.96Å; Y1565-S1568 VanDerWaalsContact O-N 3.11Å; Y1565-S1568 PolarHBondContact O-OG 3.47Å; Y1565-F1569 PolarHBondContact O-N 2.99Å; Y1565-E1673 PolarHBondContact OH-OE2 3.42Å | ||
| 1566 | P | 66.8 | Low | 69.6 | Low | 23 Ų | 23 | 58.6 Ų | 58.6 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -60.5 | -33.2 | -176.8 | 12.8 | -20.3 | 0 | 0 | 0 | 112.7 | C1507 L1510 R1511 L1562 S1568 F1569 C1570 | C1507-P1566 HydrophobicContact CB-CB 4.23Å; C1507-P1566 WeakPolarHBondContact O-CB 3.43Å; C1507-P1566 PolarHBondContact SG-O 3.26Å; L1510-P1566 HydrophobicContact CB-CB 4.37Å; L1510-P1566 HydrophobicContact CB-CG 4.28Å; R1511-P1566 HydrophobicContact CB-CG 4.31Å; L1562-P1566 VanDerWaalsContact O-CA 3.27Å; L1562-P1566 WeakPolarHBondContact O-CA 3.29Å; L1562-P1566 WeakPolarHBondContact O-CB 3.03Å; L1562-P1566 WeakPolarHBondContact O-CD 3.45Å; L1562-P1566 WeakPolarHBondContact O-CG 3.22Å; P1566-S1568 VanDerWaalsContact C-N 3.26Å; P1566-S1568 PolarHBondContact O-N 3.13Å; P1566-F1569 WeakPolarHBondContact O-CB 3.28Å; P1566-F1569 PolarHBondContact O-N 3.23Å; P1566-C1570 PolarHBondContact O-N 2.8Å; P1566-C1570 PolarHBondContact O-SG 3.21Å |
| 1567 | N | 68 | Low | 68.9 | Low | 125 Ų | 125 | 62.3 Ų | 62.3 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.9 | -22.5 | -179.6 | -64.8 | -16 | 0 | 0 | 0 | 113.5 | Y1565 F1569 C1570 E1571 N1593 I1608 | Y1565-N1567 VanDerWaalsContact C-N 3.31Å; Y1565-N1567 PolarHBondContact O-N 3.11Å; Y1565-N1567 VanDerWaalsContact O-N 3.15Å; N1567-F1569 VanDerWaalsContact C-N 3.33Å; N1567-F1569 PolarHBondContact O-N 3.07Å; N1567-C1570 WeakPolarHBondContact O-CB 3.12Å; N1567-C1570 PolarHBondContact O-N 2.78Å; N1567-E1571 PolarHBondContact O-N 2.86Å; N1567-N1593 PolarHBondContact OD1-ND2 3.38Å; N1567-I1608 HydrophobicContact CB-CD1 4.22Å |
| 1568 | S | 69.4 | Low | 68.5 | Low | 26.4 Ų | 26.4 | 59.5 Ų | 59.5 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -78.5 | -0.5 | 177.5 | -50.6 | 0 | 0 | 0 | 0 | 113.1 | F1561 Y1565 P1566 C1570 E1571 L1572 | F1561-S1568 WeakPolarHBondContact CE1-OG 3.39Å; Y1565-S1568 WeakPolarHBondContact CB-OG 3.36Å; Y1565-S1568 WeakPolarHBondContact O-CB 3.46Å; Y1565-S1568 PolarHBondContact O-N 2.96Å; Y1565-S1568 VanDerWaalsContact O-N 3.11Å; Y1565-S1568 PolarHBondContact O-OG 3.47Å; P1566-S1568 VanDerWaalsContact C-N 3.26Å; P1566-S1568 PolarHBondContact O-N 3.13Å; S1568-C1570 VanDerWaalsContact C-N 3.28Å; S1568-C1570 PolarHBondContact O-N 3.03Å; S1568-E1571 WeakPolarHBondContact CB-OE2 3.44Å; S1568-E1571 PolarHBondContact O-N 2.95Å; S1568-E1571 PolarHBondContact OG-OE2 2.82Å; S1568-L1572 WeakPolarHBondContact O-CB 3.4Å; S1568-L1572 VanDerWaalsContact O-CG 3.3Å; S1568-L1572 WeakPolarHBondContact O-CG 3.42Å; S1568-L1572 PolarHBondContact O-N 3.29Å; S1568-L1572 VanDerWaalsContact O-N 3.09Å |
| 1569 | F | 76.5 | Confident | 68.5 | Low | 2.4 Ų | 2.4 | 60.6 Ų | 60.6 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55 | -45 | 172.9 | -177.7 | -81.4 | 0 | 0 | 0 | 112.1 | P1503 I1506 C1507 M1551 F1554 F1561 L1562 Y1565 P1566 N1567 E1571 L1572 A1573 I1582 L1585 L1589 | P1503-F1569 HydrophobicContact CB-CD1 3.68Å; P1503-F1569 HydrophobicContact CB-CD2 4.45Å; P1503-F1569 HydrophobicContact CB-CE1 3.42Å; P1503-F1569 VanDerWaalsContact CB-CE1 3.41Å; P1503-F1569 HydrophobicContact CB-CE2 4.36Å; P1503-F1569 HydrophobicContact CB-CG 4.31Å; P1503-F1569 HydrophobicContact CB-CZ 3.81Å; P1503-F1569 HydrophobicContact CG-CD1 4.11Å; P1503-F1569 HydrophobicContact CG-CE1 4.11Å; P1503-F1569 VanDerWaalsContact CG-CE1 3.46Å; P1503-F1569 HydrophobicContact CG-CZ 3.83Å; I1506-F1569 HydrophobicContact CG2-CE2 4.4Å; C1507-F1569 VanDerWaalsContact SG-CB 3.54Å; M1551-F1569 HydrophobicContact CE-CE1 4.36Å; M1551-F1569 HydrophobicContact CE-CE2 4.14Å; M1551-F1569 HydrophobicContact CE-CZ 3.81Å; M1551-F1569 VanDerWaalsContact CE-CZ 3.44Å; M1551-F1569 HydrophobicContact SD-CE2 3.93Å; M1551-F1569 HydrophobicContact SD-CZ 3.7Å; F1554-F1569 HydrophobicContact CD1-CD2 4.37Å; F1554-F1569 AromaticContact CD1-CE2 3.71Å; F1554-F1569 HydrophobicContact CD1-CE2 3.71Å; F1554-F1569 AromaticContact CD1-CZ 3.96Å; F1554-F1569 HydrophobicContact CD1-CZ 4Å; F1554-F1569 AromaticContact CE1-CD2 3.75Å; F1554-F1569 HydrophobicContact CE1-CD2 3.75Å; F1554-F1569 HydrophobicContact CE1-CE1 4.27Å; F1554-F1569 AromaticContact CE1-CE2 3.47Å; F1554-F1569 HydrophobicContact CE1-CE2 3.47Å; F1554-F1569 VanDerWaalsContact CE1-CE2 3.48Å; F1554-F1569 HydrophobicContact CE1-CG 4.38Å; F1554-F1569 AromaticContact CE1-CZ 3.69Å; F1554-F1569 HydrophobicContact CE1-CZ 3.78Å; F1554-F1569 HydrophobicContact CZ-CD2 4.27Å; F1554-F1569 AromaticContact CZ-CE2 3.46Å; F1554-F1569 HydrophobicContact CZ-CE2 4.21Å; F1554-F1569 VanDerWaalsContact CZ-CE2 3.46Å; F1554-F1569 HydrophobicContact CZ-CZ 4.15Å; F1561-F1569 HydrophobicContact CD1-CB 4.19Å; F1561-F1569 HydrophobicContact CE1-CB 3.76Å; F1561-F1569 HydrophobicContact CE1-CD2 4.36Å; L1562-F1569 HydrophobicContact CD1-CD2 4.24Å; L1562-F1569 HydrophobicContact CD2-CB 4.04Å; L1562-F1569 HydrophobicContact CD2-CD1 3.5Å; L1562-F1569 HydrophobicContact CD2-CD2 4.09Å; L1562-F1569 HydrophobicContact CD2-CE1 3.72Å; L1562-F1569 HydrophobicContact CD2-CE2 3.84Å; L1562-F1569 HydrophobicContact CD2-CG 3.94Å; L1562-F1569 VanDerWaalsContact CD2-CG 3.41Å; L1562-F1569 HydrophobicContact CD2-CZ 3.87Å; Y1565-F1569 PolarHBondContact O-N 2.99Å; P1566-F1569 WeakPolarHBondContact O-CB 3.28Å; P1566-F1569 PolarHBondContact O-N 3.23Å; N1567-F1569 VanDerWaalsContact C-N 3.33Å; N1567-F1569 PolarHBondContact O-N 3.07Å; F1569-E1571 VanDerWaalsContact C-N 3.33Å; F1569-E1571 PolarHBondContact O-N 3.32Å; F1569-L1572 PolarHBondContact O-N 3.17Å; F1569-A1573 HydrophobicContact CD1-CB 4.27Å; F1569-A1573 HydrophobicContact CE1-CB 4.02Å; F1569-A1573 HydrophobicContact CE2-CB 4.05Å; F1569-A1573 HydrophobicContact CZ-CB 3.84Å; F1569-A1573 VanDerWaalsContact O-CB 3.24Å; F1569-A1573 WeakPolarHBondContact O-CB 3.36Å; F1569-A1573 PolarHBondContact O-N 3.07Å; F1569-I1582 HydrophobicContact CE2-CG2 4.2Å; F1569-I1582 HydrophobicContact CZ-CG2 4.09Å; F1569-L1585 HydrophobicContact CE1-CD2 3.53Å; F1569-L1585 HydrophobicContact CZ-CD2 4.03Å; F1569-L1589 HydrophobicContact CD1-CD1 3.87Å; F1569-L1589 HydrophobicContact CE1-CD1 4.04Å |
| 1570 | C | 72.3 | Confident | 68.5 | Low | 11.4 Ų | 11.4 | 65.9 Ų | 65.9 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | -179.5 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | P1566 N1567 S1568 A1573 I1574 L1589 L1590 F1610 | P1566-C1570 PolarHBondContact O-N 2.8Å; P1566-C1570 PolarHBondContact O-SG 3.21Å; N1567-C1570 WeakPolarHBondContact O-CB 3.12Å; N1567-C1570 PolarHBondContact O-N 2.78Å; S1568-C1570 VanDerWaalsContact C-N 3.28Å; S1568-C1570 PolarHBondContact O-N 3.03Å; C1570-A1573 PolarHBondContact O-N 3.24Å; C1570-I1574 WeakPolarHBondContact O-CB 3.26Å; C1570-I1574 VanDerWaalsContact O-CD1 3.29Å; C1570-I1574 WeakPolarHBondContact O-CD1 3.16Å; C1570-I1574 VanDerWaalsContact O-CG1 3.26Å; C1570-I1574 WeakPolarHBondContact O-CG1 3.31Å; C1570-I1574 PolarHBondContact O-N 3.17Å; C1570-I1574 VanDerWaalsContact O-N 3.12Å; C1570-L1589 HydrophobicContact CB-CB 4.37Å; C1570-L1589 HydrophobicContact CB-CD1 4.45Å; C1570-L1589 VanDerWaalsContact SG-CB 3.57Å; C1570-L1589 WeakPolarHBondContact SG-CB 3.27Å; C1570-L1589 VanDerWaalsContact SG-CD1 3.57Å; C1570-L1589 WeakPolarHBondContact SG-CD1 3.22Å; C1570-L1590 HydrophobicContact CB-CD2 3.61Å; C1570-L1590 HydrophobicContact CB-CG 3.81Å; C1570-F1610 HydrophobicContact CB-CD1 4.25Å; C1570-F1610 HydrophobicContact CB-CE1 3.93Å |
| 1571 | E | 66.1 | Low | 69 | Low | 84.6 Ų | 84.6 | 60.7 Ų | 60.7 | 40% | 0.395 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | -179.1 | -64.2 | 177.8 | 160.5 | 0 | 0 | 111.4 | N1567 S1568 F1569 I1574 N1575 F1610 | N1567-E1571 PolarHBondContact O-N 2.86Å; S1568-E1571 WeakPolarHBondContact CB-OE2 3.44Å; S1568-E1571 PolarHBondContact O-N 2.95Å; S1568-E1571 PolarHBondContact OG-OE2 2.82Å; F1569-E1571 VanDerWaalsContact C-N 3.33Å; F1569-E1571 PolarHBondContact O-N 3.32Å; E1571-I1574 PolarHBondContact O-N 3.11Å; E1571-N1575 VanDerWaalsContact O-CB 3.3Å; E1571-N1575 WeakPolarHBondContact O-CB 3.37Å; E1571-N1575 VanDerWaalsContact O-CG 3.27Å; E1571-N1575 PolarHBondContact O-N 3.2Å; E1571-N1575 VanDerWaalsContact O-N 3.09Å; E1571-N1575 PolarHBondContact O-ND2 3.06Å; E1571-N1575 VanDerWaalsContact O-ND2 3.16Å; E1571-F1610 HydrophobicContact CG-CD1 3.69Å; E1571-F1610 HydrophobicContact CG-CE1 4.08Å |
| 1572 | L | 71.2 | Confident | 69.6 | Low | 38.4 Ų | 38.4 | 57.2 Ų | 57.2 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.4 | -73.4 | 174.3 | 0 | 0 | 0 | 112.1 | F1554 N1558 F1561 L1562 S1568 F1569 I1574 N1575 Q1576 P1631 | F1554-L1572 HydrophobicContact CE2-CB 4.28Å; F1554-L1572 HydrophobicContact CZ-CB 3.7Å; N1558-L1572 HydrophobicContact CB-CD1 4Å; F1561-L1572 HydrophobicContact CD1-CD1 3.49Å; F1561-L1572 VanDerWaalsContact CD1-CD1 3.44Å; F1561-L1572 HydrophobicContact CD1-CD2 4.48Å; F1561-L1572 HydrophobicContact CD1-CG 4.36Å; F1561-L1572 HydrophobicContact CE1-CD1 3.84Å; F1561-L1572 HydrophobicContact CE1-CD2 4.45Å; F1561-L1572 HydrophobicContact CE1-CG 4.24Å; F1561-L1572 HydrophobicContact CG-CD1 4.43Å; F1561-L1572 HydrophobicContact CZ-CD1 3.64Å; L1562-L1572 HydrophobicContact CD2-CD1 3.81Å; L1562-L1572 HydrophobicContact CG-CD1 4.09Å; S1568-L1572 WeakPolarHBondContact O-CB 3.4Å; S1568-L1572 VanDerWaalsContact O-CG 3.3Å; S1568-L1572 WeakPolarHBondContact O-CG 3.42Å; S1568-L1572 PolarHBondContact O-N 3.29Å; S1568-L1572 VanDerWaalsContact O-N 3.09Å; F1569-L1572 PolarHBondContact O-N 3.17Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.31Å; L1572-N1575 PolarHBondContact O-N 2.89Å; L1572-Q1576 WeakPolarHBondContact O-CB 3.36Å; L1572-Q1576 PolarHBondContact O-N 3.11Å; L1572-P1631 HydrophobicContact CD2-CG 3.43Å; L1572-P1631 VanDerWaalsContact CD2-CG 3.43Å |
| 1573 | A | 74.7 | Confident | 69.7 | Low | 0.4 Ų | 0.4 | 59.4 Ų | 59.4 | 0% | 0.003 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -32.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1554 F1569 C1570 S1578 I1582 H1583 | F1554-A1573 HydrophobicContact CE2-CB 4.35Å; F1554-A1573 HydrophobicContact CZ-CB 4.05Å; F1569-A1573 HydrophobicContact CD1-CB 4.27Å; F1569-A1573 HydrophobicContact CE1-CB 4.02Å; F1569-A1573 HydrophobicContact CE2-CB 4.05Å; F1569-A1573 HydrophobicContact CZ-CB 3.84Å; F1569-A1573 VanDerWaalsContact O-CB 3.24Å; F1569-A1573 WeakPolarHBondContact O-CB 3.36Å; F1569-A1573 PolarHBondContact O-N 3.07Å; C1570-A1573 PolarHBondContact O-N 3.24Å; A1573-S1578 PolarHBondContact O-OG 3.08Å; A1573-I1582 HydrophobicContact CB-CG2 3.69Å; A1573-H1583 WeakPolarHBondContact O-CA 3.28Å; A1573-H1583 PolarHBondContact O-CD2 3.27Å; A1573-H1583 VanDerWaalsContact O-CD2 3.27Å; A1573-H1583 PolarHBondContact O-CE1 3.34Å; A1573-H1583 PolarHBondContact O-ND1 3.18Å; A1573-H1583 VanDerWaalsContact O-ND1 3.11Å |
| 1574 | I | 68.8 | Low | 69.9 | Low | 21.6 Ų | 21.6 | 58.2 Ų | 58.2 | 11% | 0.111 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81.5 | -37.7 | 177.9 | -67.4 | 167.9 | 0 | 0 | 0 | 111.9 | C1570 E1571 L1572 H1583 L1587 L1590 V1612 | C1570-I1574 WeakPolarHBondContact O-CB 3.26Å; C1570-I1574 VanDerWaalsContact O-CD1 3.29Å; C1570-I1574 WeakPolarHBondContact O-CD1 3.16Å; C1570-I1574 VanDerWaalsContact O-CG1 3.26Å; C1570-I1574 WeakPolarHBondContact O-CG1 3.31Å; C1570-I1574 PolarHBondContact O-N 3.17Å; C1570-I1574 VanDerWaalsContact O-N 3.12Å; E1571-I1574 PolarHBondContact O-N 3.11Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.31Å; I1574-H1583 PolarHBondContact O-CD2 3.08Å; I1574-H1583 PolarHBondContact O-CE1 3.04Å; I1574-H1583 VanDerWaalsContact O-CE1 3.26Å; I1574-H1583 PolarHBondContact O-ND1 3.19Å; I1574-H1583 PolarHBondContact O-NE2 3.39Å; I1574-H1583 VanDerWaalsContact O-NE2 3.16Å; I1574-L1587 HydrophobicContact CD1-CD2 4.28Å; I1574-L1587 HydrophobicContact CD1-CG 4.4Å; I1574-L1587 HydrophobicContact CG1-CD2 4.36Å; I1574-L1587 HydrophobicContact CG1-CG 4.39Å; I1574-L1590 HydrophobicContact CD1-CB 4.46Å; I1574-L1590 HydrophobicContact CD1-CD1 3.37Å; I1574-L1590 VanDerWaalsContact CD1-CD1 3.43Å; I1574-L1590 HydrophobicContact CD1-CG 4.01Å; I1574-V1612 HydrophobicContact CD1-CG2 4.07Å; I1574-V1612 HydrophobicContact CG2-CB 4.34Å; I1574-V1612 HydrophobicContact CG2-CG1 3.83Å; I1574-V1612 HydrophobicContact CG2-CG2 4.04Å |
| 1575 | N | 59.6 | Low | 70.6 | Confident | 69.8 Ų | 69.8 | 52 Ų | 52 | 37% | 0.373 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -92.7 | -19.5 | -171.2 | -70.4 | -45.5 | 0 | 0 | 0 | 114.5 | E1571 L1572 R1611 N1613 I1628 K1630 | E1571-N1575 VanDerWaalsContact O-CB 3.3Å; E1571-N1575 WeakPolarHBondContact O-CB 3.37Å; E1571-N1575 VanDerWaalsContact O-CG 3.27Å; E1571-N1575 PolarHBondContact O-N 3.2Å; E1571-N1575 VanDerWaalsContact O-N 3.09Å; E1571-N1575 PolarHBondContact O-ND2 3.06Å; E1571-N1575 VanDerWaalsContact O-ND2 3.16Å; L1572-N1575 PolarHBondContact O-N 2.89Å; N1575-R1611 PolarHBondContact OD1-O 2.94Å; N1575-R1611 VanDerWaalsContact OD1-O 3.05Å; N1575-N1613 WeakPolarHBondContact CB-ND2 3.32Å; N1575-N1613 PolarHBondContact O-ND2 2.9Å; N1575-N1613 WeakPolarHBondContact OD1-CB 3.38Å; N1575-N1613 PolarHBondContact OD1-N 3.33Å; N1575-N1613 PolarHBondContact OD1-ND2 2.93Å; N1575-N1613 VanDerWaalsContact OD1-ND2 3.13Å; N1575-N1613 PolarHBondContact OD1-OD1 2.91Å; N1575-I1628 PolarHBondContact ND2-O 2.93Å; N1575-I1628 VanDerWaalsContact ND2-O 3.08Å; N1575-K1630 HydrophobicContact CB-CB 4.48Å |
| 1576 | Q | 65.5 | Low | 70.9 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -95 | 139.5 | -179.6 | -153 | 179.8 | 11.8 | 0 | 0 | 111.6 | F1554 V1557 N1558 L1572 S1578 H1583 | F1554-Q1576 VanDerWaalsContact CD2-OE1 3.23Å; F1554-Q1576 HydrophobicContact CE2-CB 4.48Å; F1554-Q1576 VanDerWaalsContact CE2-OE1 3.25Å; V1557-Q1576 VanDerWaalsContact CG1-NE2 3.28Å; N1558-Q1576 PolarHBondContact ND2-OE1 3.05Å; N1558-Q1576 PolarHBondContact OD1-NE2 3.08Å; N1558-Q1576 PolarHBondContact OD1-OE1 3.1Å; L1572-Q1576 WeakPolarHBondContact O-CB 3.36Å; L1572-Q1576 PolarHBondContact O-N 3.11Å; Q1576-S1578 VanDerWaalsContact C-N 3.28Å; Q1576-S1578 PolarHBondContact O-N 2.9Å; Q1576-S1578 PolarHBondContact O-OG 3.17Å; Q1576-H1583 PolarHBondContact O-CE1 2.81Å; Q1576-H1583 PolarHBondContact O-NE2 3.25Å |
| 1577 | D | 61.6 | Low | 71.1 | Confident | 146.2 Ų | 146.2 | 48 Ų | 48 | 78% | 0.782 | 26% | 0.255 | S | S | * | . | trans | -65.7 | 78.2 | 170.4 | -72.6 | -32 | 0 | 0 | 0 | 110.6 | K1630 | D1577-K1630 IonicContact OD2-NZ 3.47Å; D1577-K1630 PolarHBondContact OD2-NZ 3.47Å | ||
| 1578 | S | 67.5 | Low | 71.1 | Confident | 37.2 Ų | 37.2 | 42.1 Ų | 42.1 | 26% | 0.26 | 22% | 0.223 | S | C | . | . | trans | -108.3 | -172.4 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | A1573 Q1576 I1582 H1583 | A1573-S1578 PolarHBondContact O-OG 3.08Å; Q1576-S1578 VanDerWaalsContact C-N 3.28Å; Q1576-S1578 PolarHBondContact O-N 2.9Å; Q1576-S1578 PolarHBondContact O-OG 3.17Å; S1578-I1582 WeakPolarHBondContact OG-CB 3.38Å; S1578-I1582 WeakPolarHBondContact OG-CG2 3.4Å; S1578-H1583 PolarHBondContact N-NE2 2.71Å; S1578-H1583 PolarHBondContact O-CD2 3.18Å; S1578-H1583 VanDerWaalsContact O-CD2 3.26Å; S1578-H1583 PolarHBondContact OG-CD2 3.43Å; S1578-H1583 VanDerWaalsContact OG-CD2 3.24Å; S1578-H1583 PolarHBondContact OG-ND1 3.48Å; S1578-H1583 PolarHBondContact OG-NE2 2.92Å | ||
| 1579 | S | 74.9 | Confident | 71.1 | Confident | 43.8 Ų | 43.8 | 41.3 Ų | 41.3 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | trans | -76.9 | 148.4 | 174.9 | 64.5 | 0 | 0 | 0 | 0 | 111 | A1550 W1581 I1582 H1583 | A1550-S1579 WeakPolarHBondContact CB-OG 3.48Å; S1579-W1581 PolarHBondContact O-N 3.18Å; S1579-W1581 VanDerWaalsContact O-N 3.09Å; S1579-W1581 VanDerWaalsContact OG-CD1 3.24Å; S1579-W1581 PolarHBondContact OG-NE1 3.21Å; S1579-I1582 WeakPolarHBondContact O-CA 3.17Å; S1579-I1582 WeakPolarHBondContact O-CB 3.48Å; S1579-I1582 PolarHBondContact O-N 3.06Å; S1579-I1582 VanDerWaalsContact OG-CB 3.29Å; S1579-I1582 WeakPolarHBondContact OG-CB 3.49Å; S1579-I1582 VanDerWaalsContact OG-CD1 3.27Å; S1579-I1582 WeakPolarHBondContact OG-CD1 3.34Å; S1579-I1582 VanDerWaalsContact OG-CG1 3.3Å; S1579-I1582 WeakPolarHBondContact OG-CG1 3.34Å; S1579-I1582 PolarHBondContact OG-N 3.31Å; S1579-I1582 VanDerWaalsContact OG-N 3.07Å; S1579-H1583 PolarHBondContact O-N 3.15Å; S1579-H1583 VanDerWaalsContact O-N 3.11Å | ||
| 1580 | E | 73.7 | Confident | 70.7 | Confident | 167.6 Ų | 167.6 | 42.9 Ų | 42.9 | 78% | 0.783 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -52.5 | -33.7 | 178.4 | -105.5 | -176 | 171.5 | 0 | 0 | 112.9 | H1583 A1584 | E1580-H1583 WeakPolarHBondContact O-CB 3.3Å; E1580-H1583 PolarHBondContact O-N 2.99Å; E1580-A1584 WeakPolarHBondContact O-CB 3.12Å; E1580-A1584 PolarHBondContact O-N 3.16Å; E1580-A1584 VanDerWaalsContact O-N 3.11Å |
| 1581 | W | 77.1 | Confident | 70.3 | Confident | 28.6 Ų | 28.6 | 47.6 Ų | 47.6 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.9 | 162.2 | 52 | 0 | 0 | 0 | 113.5 | K1340 I1347 T1501 K1547 A1550 M1551 F1554 S1579 H1583 A1584 L1585 | K1340-W1581 HydrophobicContact CD-CH2 3.66Å; K1340-W1581 HydrophobicContact CD-CZ2 3.64Å; K1340-W1581 HydrophobicContact CG-CH2 3.98Å; K1340-W1581 HydrophobicContact CG-CZ2 4.4Å; I1347-W1581 HydrophobicContact CD1-CH2 4.06Å; I1347-W1581 HydrophobicContact CD1-CZ3 3.62Å; I1347-W1581 HydrophobicContact CG1-CH2 4.2Å; I1347-W1581 HydrophobicContact CG1-CZ3 4.17Å; T1501-W1581 HydrophobicContact CG2-CH2 4.04Å; T1501-W1581 HydrophobicContact CG2-CZ2 4.07Å; K1547-W1581 HydrophobicContact CB-CD2 4.06Å; K1547-W1581 HydrophobicContact CB-CE3 3.91Å; K1547-W1581 HydrophobicContact CB-CG 4.34Å; K1547-W1581 HydrophobicContact CB-CH2 3.87Å; K1547-W1581 HydrophobicContact CB-CZ2 4Å; K1547-W1581 HydrophobicContact CB-CZ3 3.83Å; K1547-W1581 HydrophobicContact CD-CD2 3.99Å; K1547-W1581 HydrophobicContact CD-CE3 4.21Å; K1547-W1581 HydrophobicContact CD-CG 4.28Å; K1547-W1581 HydrophobicContact CD-CH2 4.35Å; K1547-W1581 HydrophobicContact CD-CZ2 4.13Å; K1547-W1581 HydrophobicContact CD-CZ3 4.26Å; K1547-W1581 HydrophobicContact CG-CD2 3.9Å; K1547-W1581 HydrophobicContact CG-CE3 4.14Å; K1547-W1581 HydrophobicContact CG-CG 4.15Å; K1547-W1581 HydrophobicContact CG-CH2 4.48Å; K1547-W1581 HydrophobicContact CG-CZ2 4.35Å; K1547-W1581 HydrophobicContact CG-CZ3 4.35Å; K1547-W1581 VanDerWaalsContact O-CZ3 3.25Å; K1547-W1581 WeakPolarHBondContact O-CZ3 3.24Å; A1550-W1581 HydrophobicContact CB-CE3 4.18Å; A1550-W1581 HydrophobicContact CB-CZ3 4.45Å; M1551-W1581 HydrophobicContact CB-CH2 4.24Å; M1551-W1581 HydrophobicContact CB-CZ3 4.27Å; M1551-W1581 HydrophobicContact CE-CB 4.03Å; M1551-W1581 HydrophobicContact CE-CD2 3.81Å; M1551-W1581 HydrophobicContact CE-CE3 3.56Å; M1551-W1581 HydrophobicContact CE-CG 4.04Å; M1551-W1581 HydrophobicContact CE-CH2 4.08Å; M1551-W1581 HydrophobicContact CE-CZ3 4.22Å; M1551-W1581 HydrophobicContact CG-CD2 3.95Å; M1551-W1581 HydrophobicContact CG-CE3 3.75Å; M1551-W1581 HydrophobicContact CG-CH2 3.75Å; M1551-W1581 HydrophobicContact CG-CZ2 3.96Å; M1551-W1581 HydrophobicContact CG-CZ3 3.64Å; M1551-W1581 HydrophobicContact SD-CE3 4.49Å; F1554-W1581 HydrophobicContact CB-CH2 3.66Å; F1554-W1581 HydrophobicContact CB-CZ2 3.95Å; F1554-W1581 AromaticContact CD1-CH2 3.58Å; F1554-W1581 HydrophobicContact CD1-CH2 3.58Å; F1554-W1581 HydrophobicContact CD1-CZ3 4.29Å; F1554-W1581 HydrophobicContact CD2-CH2 4.42Å; F1554-W1581 HydrophobicContact CE1-CH2 4.42Å; F1554-W1581 AromaticContact CG-CH2 3.61Å; F1554-W1581 HydrophobicContact CG-CH2 3.61Å; F1554-W1581 HydrophobicContact CG-CZ2 4.11Å; S1579-W1581 PolarHBondContact O-N 3.18Å; S1579-W1581 VanDerWaalsContact O-N 3.09Å; S1579-W1581 VanDerWaalsContact OG-CD1 3.24Å; S1579-W1581 PolarHBondContact OG-NE1 3.21Å; W1581-H1583 VanDerWaalsContact C-N 3.3Å; W1581-H1583 PolarHBondContact O-N 3.24Å; W1581-A1584 PolarHBondContact O-N 3.15Å; W1581-L1585 HydrophobicContact CD2-CD1 4.13Å; W1581-L1585 HydrophobicContact CD2-CG 4.42Å; W1581-L1585 HydrophobicContact CE3-CD1 4Å; W1581-L1585 HydrophobicContact CH2-CD1 3.43Å; W1581-L1585 VanDerWaalsContact CH2-CD1 3.47Å; W1581-L1585 HydrophobicContact CH2-CD2 3.93Å; W1581-L1585 HydrophobicContact CH2-CG 4.37Å; W1581-L1585 HydrophobicContact CZ2-CD1 3.54Å; W1581-L1585 VanDerWaalsContact CZ2-CD1 3.43Å; W1581-L1585 HydrophobicContact CZ2-CD2 4.19Å; W1581-L1585 HydrophobicContact CZ2-CG 4.04Å; W1581-L1585 HydrophobicContact CZ3-CD1 3.69Å; W1581-L1585 VanDerWaalsContact NE1-CD1 3.35Å; W1581-L1585 WeakPolarHBondContact O-CB 3.15Å; W1581-L1585 WeakPolarHBondContact O-CG 3.4Å; W1581-L1585 PolarHBondContact O-N 3.16Å |
| 1582 | I | 79.8 | Confident | 70.2 | Confident | 6.2 Ų | 6.2 | 45.5 Ų | 45.5 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 175.4 | -68.9 | 166.2 | 0 | 0 | 0 | 110.3 | A1550 F1554 F1569 A1573 S1578 S1579 A1584 L1585 G1586 | A1550-I1582 VanDerWaalsContact C-CD1 3.48Å; A1550-I1582 HydrophobicContact CB-CD1 4.07Å; A1550-I1582 HydrophobicContact CB-CG1 4.46Å; A1550-I1582 VanDerWaalsContact O-CD1 3.23Å; A1550-I1582 WeakPolarHBondContact O-CD1 3.38Å; F1554-I1582 HydrophobicContact CB-CD1 3.58Å; F1554-I1582 VanDerWaalsContact CB-CD1 3.5Å; F1554-I1582 HydrophobicContact CD2-CD1 4.22Å; F1554-I1582 HydrophobicContact CD2-CG2 3.91Å; F1554-I1582 HydrophobicContact CE2-CD1 3.95Å; F1554-I1582 HydrophobicContact CE2-CG2 4Å; F1554-I1582 HydrophobicContact CG-CD1 4.06Å; F1554-I1582 HydrophobicContact CG-CG2 4.2Å; F1554-I1582 HydrophobicContact CZ-CG2 4.35Å; F1569-I1582 HydrophobicContact CE2-CG2 4.2Å; F1569-I1582 HydrophobicContact CZ-CG2 4.09Å; A1573-I1582 HydrophobicContact CB-CG2 3.69Å; S1578-I1582 WeakPolarHBondContact OG-CB 3.38Å; S1578-I1582 WeakPolarHBondContact OG-CG2 3.4Å; S1579-I1582 WeakPolarHBondContact O-CA 3.17Å; S1579-I1582 WeakPolarHBondContact O-CB 3.48Å; S1579-I1582 PolarHBondContact O-N 3.06Å; S1579-I1582 VanDerWaalsContact OG-CB 3.29Å; S1579-I1582 WeakPolarHBondContact OG-CB 3.49Å; S1579-I1582 VanDerWaalsContact OG-CD1 3.27Å; S1579-I1582 WeakPolarHBondContact OG-CD1 3.34Å; S1579-I1582 VanDerWaalsContact OG-CG1 3.3Å; S1579-I1582 WeakPolarHBondContact OG-CG1 3.34Å; S1579-I1582 PolarHBondContact OG-N 3.31Å; S1579-I1582 VanDerWaalsContact OG-N 3.07Å; I1582-A1584 VanDerWaalsContact C-N 3.34Å; I1582-A1584 PolarHBondContact O-N 3.02Å; I1582-L1585 WeakPolarHBondContact O-CB 3.35Å; I1582-L1585 PolarHBondContact O-N 3.13Å; I1582-L1585 VanDerWaalsContact O-N 3.14Å; I1582-G1586 PolarHBondContact O-N 3.04Å |
| 1583 | H | 73.3 | Confident | 69.6 | Low | 50.4 Ų | 50.4 | 48.2 Ų | 48.2 | 23% | 0.233 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 172.9 | -113.2 | 66 | 0 | 0 | 0 | 111.7 | A1573 I1574 Q1576 S1578 S1579 E1580 W1581 L1585 G1586 L1587 | A1573-H1583 WeakPolarHBondContact O-CA 3.28Å; A1573-H1583 PolarHBondContact O-CD2 3.27Å; A1573-H1583 VanDerWaalsContact O-CD2 3.27Å; A1573-H1583 PolarHBondContact O-CE1 3.34Å; A1573-H1583 PolarHBondContact O-ND1 3.18Å; A1573-H1583 VanDerWaalsContact O-ND1 3.11Å; I1574-H1583 PolarHBondContact O-CD2 3.08Å; I1574-H1583 PolarHBondContact O-CE1 3.04Å; I1574-H1583 VanDerWaalsContact O-CE1 3.26Å; I1574-H1583 PolarHBondContact O-ND1 3.19Å; I1574-H1583 PolarHBondContact O-NE2 3.39Å; I1574-H1583 VanDerWaalsContact O-NE2 3.16Å; Q1576-H1583 PolarHBondContact O-CE1 2.81Å; Q1576-H1583 PolarHBondContact O-NE2 3.25Å; S1578-H1583 PolarHBondContact N-NE2 2.71Å; S1578-H1583 PolarHBondContact O-CD2 3.18Å; S1578-H1583 VanDerWaalsContact O-CD2 3.26Å; S1578-H1583 PolarHBondContact OG-CD2 3.43Å; S1578-H1583 VanDerWaalsContact OG-CD2 3.24Å; S1578-H1583 PolarHBondContact OG-ND1 3.48Å; S1578-H1583 PolarHBondContact OG-NE2 2.92Å; S1579-H1583 PolarHBondContact O-N 3.15Å; S1579-H1583 VanDerWaalsContact O-N 3.11Å; E1580-H1583 WeakPolarHBondContact O-CB 3.3Å; E1580-H1583 PolarHBondContact O-N 2.99Å; W1581-H1583 VanDerWaalsContact C-N 3.3Å; W1581-H1583 PolarHBondContact O-N 3.24Å; H1583-L1585 VanDerWaalsContact C-N 3.31Å; H1583-L1585 PolarHBondContact O-N 3.01Å; H1583-G1586 PolarHBondContact O-N 3.05Å; H1583-L1587 WeakPolarHBondContact O-CB 3.45Å; H1583-L1587 WeakPolarHBondContact O-CG 3.37Å; H1583-L1587 PolarHBondContact O-N 3.05Å |
| 1584 | A | 72.6 | Confident | 68.6 | Low | 25.8 Ų | 25.8 | 52.3 Ų | 52.3 | 21% | 0.213 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1347 P1503 E1580 W1581 I1582 L1587 S1588 | I1347-A1584 HydrophobicContact CD1-CB 4.19Å; P1503-A1584 HydrophobicContact CB-CB 4.38Å; P1503-A1584 HydrophobicContact CG-CB 3.7Å; E1580-A1584 WeakPolarHBondContact O-CB 3.12Å; E1580-A1584 PolarHBondContact O-N 3.16Å; E1580-A1584 VanDerWaalsContact O-N 3.11Å; W1581-A1584 PolarHBondContact O-N 3.15Å; I1582-A1584 VanDerWaalsContact C-N 3.34Å; I1582-A1584 PolarHBondContact O-N 3.02Å; A1584-L1587 PolarHBondContact O-N 2.86Å; A1584-S1588 WeakPolarHBondContact O-CB 3.45Å; A1584-S1588 PolarHBondContact O-N 3.06Å; A1584-S1588 PolarHBondContact O-OG 3.1Å |
| 1585 | L | 76.5 | Confident | 67.4 | Low | 1.6 Ų | 1.6 | 58.4 Ų | 58.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.7 | -90.5 | 170.7 | 0 | 0 | 0 | 112.4 | I1347 P1503 I1506 M1551 F1569 W1581 I1582 H1583 L1587 S1588 L1589 | I1347-L1585 HydrophobicContact CG2-CD2 3.74Å; P1503-L1585 HydrophobicContact CB-CB 4.45Å; P1503-L1585 HydrophobicContact CG-CB 4.3Å; P1503-L1585 HydrophobicContact CG-CD1 4.24Å; P1503-L1585 HydrophobicContact CG-CD2 4.14Å; P1503-L1585 HydrophobicContact CG-CG 4.32Å; I1506-L1585 HydrophobicContact CB-CD1 4.42Å; I1506-L1585 HydrophobicContact CD1-CD1 4.26Å; I1506-L1585 HydrophobicContact CG2-CD1 3.87Å; M1551-L1585 HydrophobicContact CE-CD1 3.74Å; F1569-L1585 HydrophobicContact CE1-CD2 3.53Å; F1569-L1585 HydrophobicContact CZ-CD2 4.03Å; W1581-L1585 HydrophobicContact CD2-CD1 4.13Å; W1581-L1585 HydrophobicContact CD2-CG 4.42Å; W1581-L1585 HydrophobicContact CE3-CD1 4Å; W1581-L1585 HydrophobicContact CH2-CD1 3.43Å; W1581-L1585 VanDerWaalsContact CH2-CD1 3.47Å; W1581-L1585 HydrophobicContact CH2-CD2 3.93Å; W1581-L1585 HydrophobicContact CH2-CG 4.37Å; W1581-L1585 HydrophobicContact CZ2-CD1 3.54Å; W1581-L1585 VanDerWaalsContact CZ2-CD1 3.43Å; W1581-L1585 HydrophobicContact CZ2-CD2 4.19Å; W1581-L1585 HydrophobicContact CZ2-CG 4.04Å; W1581-L1585 HydrophobicContact CZ3-CD1 3.69Å; W1581-L1585 VanDerWaalsContact NE1-CD1 3.35Å; W1581-L1585 WeakPolarHBondContact O-CB 3.15Å; W1581-L1585 WeakPolarHBondContact O-CG 3.4Å; W1581-L1585 PolarHBondContact O-N 3.16Å; I1582-L1585 WeakPolarHBondContact O-CB 3.35Å; I1582-L1585 PolarHBondContact O-N 3.13Å; I1582-L1585 VanDerWaalsContact O-N 3.14Å; H1583-L1585 VanDerWaalsContact C-N 3.31Å; H1583-L1585 PolarHBondContact O-N 3.01Å; L1585-L1587 VanDerWaalsContact C-N 3.31Å; L1585-L1587 PolarHBondContact O-N 3.13Å; L1585-S1588 VanDerWaalsContact CA-OG 3.29Å; L1585-S1588 WeakPolarHBondContact CA-OG 3.33Å; L1585-S1588 PolarHBondContact O-N 3.33Å; L1585-S1588 PolarHBondContact O-OG 2.93Å; L1585-L1589 HydrophobicContact CD2-CD1 3.72Å; L1585-L1589 HydrophobicContact CD2-CG 4.16Å; L1585-L1589 WeakPolarHBondContact O-CD1 3.44Å; L1585-L1589 VanDerWaalsContact O-CG 3.29Å; L1585-L1589 WeakPolarHBondContact O-CG 3.39Å; L1585-L1589 PolarHBondContact O-N 3.24Å; L1585-L1589 VanDerWaalsContact O-N 3.08Å |
| 1586 | G | 73.8 | Confident | 66.6 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1582 H1583 L1589 L1590 | I1582-G1586 PolarHBondContact O-N 3.04Å; H1583-G1586 PolarHBondContact O-N 3.05Å; G1586-L1589 PolarHBondContact O-N 3.31Å; G1586-L1590 WeakPolarHBondContact O-CB 3.46Å; G1586-L1590 WeakPolarHBondContact O-CG 3.45Å; G1586-L1590 PolarHBondContact O-N 2.96Å; G1586-L1590 VanDerWaalsContact O-N 3.16Å |
| 1587 | L | 69.6 | Low | 65.3 | Low | 58.2 Ų | 58.2 | 59.1 Ų | 59.1 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.8 | -72.7 | 166 | 0 | 0 | 0 | 112.2 | L1344 I1574 H1583 A1584 L1585 L1589 L1590 Y1591 F1610 | L1344-L1587 HydrophobicContact CD1-CB 4.09Å; I1574-L1587 HydrophobicContact CD1-CD2 4.28Å; I1574-L1587 HydrophobicContact CD1-CG 4.4Å; I1574-L1587 HydrophobicContact CG1-CD2 4.36Å; I1574-L1587 HydrophobicContact CG1-CG 4.39Å; H1583-L1587 WeakPolarHBondContact O-CB 3.45Å; H1583-L1587 WeakPolarHBondContact O-CG 3.37Å; H1583-L1587 PolarHBondContact O-N 3.05Å; A1584-L1587 PolarHBondContact O-N 2.86Å; L1585-L1587 VanDerWaalsContact C-N 3.31Å; L1585-L1587 PolarHBondContact O-N 3.13Å; L1587-L1589 VanDerWaalsContact C-N 3.33Å; L1587-L1589 PolarHBondContact O-N 3.1Å; L1587-L1590 WeakPolarHBondContact O-CB 3.42Å; L1587-L1590 PolarHBondContact O-N 3.11Å; L1587-L1590 VanDerWaalsContact O-N 3.11Å; L1587-Y1591 HydrophobicContact CB-CE2 4.22Å; L1587-Y1591 VanDerWaalsContact O-CD2 3.3Å; L1587-Y1591 WeakPolarHBondContact O-CD2 3.27Å; L1587-Y1591 PolarHBondContact O-N 3.21Å; L1587-Y1591 VanDerWaalsContact O-N 3.08Å; L1587-F1610 HydrophobicContact CD2-CE1 4.42Å; L1587-F1610 HydrophobicContact CD2-CE2 4.16Å; L1587-F1610 HydrophobicContact CD2-CZ 4.04Å |
| 1588 | S | 68.5 | Low | 64.1 | Low | 0.8 Ų | 0.8 | 59.3 Ų | 59.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | -179 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | I1347 C1348 P1503 M1504 C1507 A1584 L1585 L1590 Y1591 L1592 | I1347-S1588 VanDerWaalsContact CG2-OG 3.28Å; I1347-S1588 WeakPolarHBondContact CG2-OG 3.43Å; C1348-S1588 VanDerWaalsContact SG-CB 3.58Å; P1503-S1588 WeakPolarHBondContact CB-OG 3.19Å; M1504-S1588 VanDerWaalsContact SD-CB 3.56Å; C1507-S1588 PolarHBondContact SG-OG 3.13Å; A1584-S1588 WeakPolarHBondContact O-CB 3.45Å; A1584-S1588 PolarHBondContact O-N 3.06Å; A1584-S1588 PolarHBondContact O-OG 3.1Å; L1585-S1588 VanDerWaalsContact CA-OG 3.29Å; L1585-S1588 WeakPolarHBondContact CA-OG 3.33Å; L1585-S1588 PolarHBondContact O-N 3.33Å; L1585-S1588 PolarHBondContact O-OG 2.93Å; S1588-L1590 VanDerWaalsContact C-N 3.32Å; S1588-L1590 PolarHBondContact O-N 2.98Å; S1588-Y1591 WeakPolarHBondContact O-CB 3.41Å; S1588-Y1591 PolarHBondContact O-N 3.13Å; S1588-L1592 WeakPolarHBondContact O-CG 3.29Å; S1588-L1592 PolarHBondContact O-N 3.25Å |
| 1589 | L | 70.6 | Confident | 62.6 | Low | 9.8 Ų | 9.8 | 62.2 Ų | 62.2 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 174.7 | -71.9 | 170.2 | 0 | 0 | 0 | 112.2 | E1351 P1503 M1504 C1507 F1569 C1570 L1585 G1586 L1587 Y1591 L1592 N1593 | E1351-L1589 HydrophobicContact CG-CD2 4.2Å; P1503-L1589 HydrophobicContact CB-CD1 3.48Å; P1503-L1589 VanDerWaalsContact CB-CD1 3.47Å; P1503-L1589 HydrophobicContact CB-CD2 4.19Å; P1503-L1589 HydrophobicContact CB-CG 4.34Å; P1503-L1589 HydrophobicContact CG-CD1 3.51Å; P1503-L1589 VanDerWaalsContact CG-CD1 3.49Å; P1503-L1589 HydrophobicContact CG-CD2 4.01Å; P1503-L1589 HydrophobicContact CG-CG 3.81Å; M1504-L1589 HydrophobicContact CE-CD2 3.35Å; M1504-L1589 HydrophobicContact CG-CD2 3.73Å; M1504-L1589 HydrophobicContact SD-CD2 4.34Å; C1507-L1589 HydrophobicContact CB-CD2 3.71Å; C1507-L1589 HydrophobicContact CB-CG 4.15Å; C1507-L1589 WeakPolarHBondContact SG-CG 3.45Å; F1569-L1589 HydrophobicContact CD1-CD1 3.87Å; F1569-L1589 HydrophobicContact CE1-CD1 4.04Å; C1570-L1589 HydrophobicContact CB-CB 4.37Å; C1570-L1589 HydrophobicContact CB-CD1 4.45Å; C1570-L1589 VanDerWaalsContact SG-CB 3.57Å; C1570-L1589 WeakPolarHBondContact SG-CB 3.27Å; C1570-L1589 VanDerWaalsContact SG-CD1 3.57Å; C1570-L1589 WeakPolarHBondContact SG-CD1 3.22Å; L1585-L1589 HydrophobicContact CD2-CD1 3.72Å; L1585-L1589 HydrophobicContact CD2-CG 4.16Å; L1585-L1589 WeakPolarHBondContact O-CD1 3.44Å; L1585-L1589 VanDerWaalsContact O-CG 3.29Å; L1585-L1589 WeakPolarHBondContact O-CG 3.39Å; L1585-L1589 PolarHBondContact O-N 3.24Å; L1585-L1589 VanDerWaalsContact O-N 3.08Å; G1586-L1589 PolarHBondContact O-N 3.31Å; L1587-L1589 VanDerWaalsContact C-N 3.33Å; L1587-L1589 PolarHBondContact O-N 3.1Å; L1589-Y1591 VanDerWaalsContact C-N 3.33Å; L1589-L1592 HydrophobicContact CD2-CD1 4.39Å; L1589-L1592 PolarHBondContact O-N 3.17Å; L1589-N1593 WeakPolarHBondContact O-CB 3.28Å; L1589-N1593 PolarHBondContact O-N 3.06Å; L1589-N1593 VanDerWaalsContact O-N 3.07Å; L1589-N1593 PolarHBondContact O-ND2 3.33Å |
| 1590 | L | 66.5 | Low | 60.6 | Low | 37.2 Ų | 37.2 | 68.3 Ų | 68.3 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.7 | -136.1 | 157.7 | 0 | 0 | 0 | 110.6 | C1570 I1574 G1586 L1587 S1588 L1592 N1593 D1594 F1610 V1612 M1627 | C1570-L1590 HydrophobicContact CB-CD2 3.61Å; C1570-L1590 HydrophobicContact CB-CG 3.81Å; I1574-L1590 HydrophobicContact CD1-CB 4.46Å; I1574-L1590 HydrophobicContact CD1-CD1 3.37Å; I1574-L1590 VanDerWaalsContact CD1-CD1 3.43Å; I1574-L1590 HydrophobicContact CD1-CG 4.01Å; G1586-L1590 WeakPolarHBondContact O-CB 3.46Å; G1586-L1590 WeakPolarHBondContact O-CG 3.45Å; G1586-L1590 PolarHBondContact O-N 2.96Å; G1586-L1590 VanDerWaalsContact O-N 3.16Å; L1587-L1590 WeakPolarHBondContact O-CB 3.42Å; L1587-L1590 PolarHBondContact O-N 3.11Å; L1587-L1590 VanDerWaalsContact O-N 3.11Å; S1588-L1590 VanDerWaalsContact C-N 3.32Å; S1588-L1590 PolarHBondContact O-N 2.98Å; L1590-L1592 VanDerWaalsContact C-N 3.34Å; L1590-L1592 PolarHBondContact O-N 3.31Å; L1590-N1593 PolarHBondContact O-N 3.15Å; L1590-D1594 PolarHBondContact O-N 3.02Å; L1590-D1594 VanDerWaalsContact O-N 3.13Å; L1590-F1610 HydrophobicContact CD1-CB 4.06Å; L1590-F1610 HydrophobicContact CD1-CD1 3.78Å; L1590-F1610 HydrophobicContact CD1-CD2 3.81Å; L1590-F1610 HydrophobicContact CD1-CE1 4.03Å; L1590-F1610 HydrophobicContact CD1-CE2 4.02Å; L1590-F1610 HydrophobicContact CD1-CG 4.04Å; L1590-F1610 HydrophobicContact CD1-CZ 4.15Å; L1590-F1610 HydrophobicContact CD2-CB 4.35Å; L1590-F1610 HydrophobicContact CD2-CD1 3.96Å; L1590-F1610 HydrophobicContact CD2-CD2 4.45Å; L1590-F1610 HydrophobicContact CD2-CE1 3.34Å; L1590-F1610 HydrophobicContact CD2-CE2 3.88Å; L1590-F1610 HydrophobicContact CD2-CG 4.48Å; L1590-F1610 HydrophobicContact CD2-CZ 3.3Å; L1590-F1610 HydrophobicContact CG-CB 4.03Å; L1590-F1610 HydrophobicContact CG-CE1 4.33Å; L1590-F1610 HydrophobicContact CG-CE2 4.39Å; L1590-F1610 HydrophobicContact CG-CG 4.35Å; L1590-F1610 HydrophobicContact CG-CZ 4.25Å; L1590-V1612 HydrophobicContact CD1-CG2 3.52Å; L1590-M1627 HydrophobicContact CD1-CE 4.1Å |
| 1591 | Y | 64.9 | Low | 58.4 | Low | 109 Ų | 109 | 67.1 Ų | 67.1 | 43% | 0.427 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 172.8 | -84.4 | -71.2 | 0 | 0 | 0 | 113.5 | L1344 L1587 S1588 L1589 N1593 D1594 F1595 V1597 | L1344-Y1591 HydrophobicContact CD1-CD2 4.4Å; L1344-Y1591 HydrophobicContact CD2-CD2 3.84Å; L1344-Y1591 HydrophobicContact CD2-CE2 3.88Å; L1344-Y1591 HydrophobicContact CD2-CG 4.38Å; L1587-Y1591 HydrophobicContact CB-CE2 4.22Å; L1587-Y1591 VanDerWaalsContact O-CD2 3.3Å; L1587-Y1591 WeakPolarHBondContact O-CD2 3.27Å; L1587-Y1591 PolarHBondContact O-N 3.21Å; L1587-Y1591 VanDerWaalsContact O-N 3.08Å; S1588-Y1591 WeakPolarHBondContact O-CB 3.41Å; S1588-Y1591 PolarHBondContact O-N 3.13Å; L1589-Y1591 VanDerWaalsContact C-N 3.33Å; Y1591-N1593 VanDerWaalsContact C-N 3.33Å; Y1591-D1594 PolarHBondContact O-N 3.23Å; Y1591-F1595 PolarHBondContact O-N 3.01Å; Y1591-V1597 HydrophobicContact CD1-CB 4.4Å; Y1591-V1597 HydrophobicContact CD1-CG1 3.76Å; Y1591-V1597 HydrophobicContact CE1-CG1 3.74Å |
| 1592 | L | 63.1 | Low | 56.2 | Low | 41.2 Ų | 41.2 | 72.9 Ų | 72.9 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.6 | -30 | 178.4 | -76.5 | 168.4 | 0 | 0 | 0 | 113.1 | C1348 E1351 M1504 C1507 R1511 S1588 L1589 L1590 D1594 F1595 G1596 | C1348-L1592 HydrophobicContact CB-CD1 4.49Å; C1348-L1592 HydrophobicContact CB-CD2 4.28Å; C1348-L1592 HydrophobicContact CB-CG 4.31Å; E1351-L1592 HydrophobicContact CB-CD1 3.63Å; E1351-L1592 VanDerWaalsContact CB-CD1 3.45Å; E1351-L1592 HydrophobicContact CG-CD1 4.43Å; M1504-L1592 HydrophobicContact CG-CD1 4.26Å; M1504-L1592 HydrophobicContact SD-CD1 3.43Å; M1504-L1592 WeakPolarHBondContact SD-CD1 3.34Å; M1504-L1592 HydrophobicContact SD-CD2 4.07Å; M1504-L1592 HydrophobicContact SD-CG 3.48Å; M1504-L1592 WeakPolarHBondContact SD-CG 3.49Å; C1507-L1592 HydrophobicContact CB-CD1 3.21Å; R1511-L1592 PolarHBondContact NH1-O 2.73Å; S1588-L1592 WeakPolarHBondContact O-CG 3.29Å; S1588-L1592 PolarHBondContact O-N 3.25Å; L1589-L1592 HydrophobicContact CD2-CD1 4.39Å; L1589-L1592 PolarHBondContact O-N 3.17Å; L1590-L1592 VanDerWaalsContact C-N 3.34Å; L1590-L1592 PolarHBondContact O-N 3.31Å; L1592-D1594 VanDerWaalsContact C-N 3.3Å; L1592-F1595 HydrophobicContact CD2-CE2 4.22Å; L1592-F1595 VanDerWaalsContact O-CD2 3.27Å; L1592-F1595 WeakPolarHBondContact O-CD2 3.47Å; L1592-G1596 PolarHBondContact O-N 2.93Å |
| 1593 | N | 59.6 | Low | 53.7 | Low | 93.8 Ų | 93.8 | 80.4 Ų | 80.4 | 50% | 0.502 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78.5 | -22.7 | 176.7 | -76.7 | -16.7 | 0 | 0 | 0 | 112.9 | N1567 L1589 L1590 Y1591 F1595 G1596 V1597 F1610 | N1567-N1593 PolarHBondContact OD1-ND2 3.38Å; L1589-N1593 WeakPolarHBondContact O-CB 3.28Å; L1589-N1593 PolarHBondContact O-N 3.06Å; L1589-N1593 VanDerWaalsContact O-N 3.07Å; L1589-N1593 PolarHBondContact O-ND2 3.33Å; L1590-N1593 PolarHBondContact O-N 3.15Å; Y1591-N1593 VanDerWaalsContact C-N 3.33Å; N1593-F1595 VanDerWaalsContact C-N 3.33Å; N1593-F1595 PolarHBondContact O-N 3.22Å; N1593-F1595 VanDerWaalsContact O-N 3.16Å; N1593-G1596 PolarHBondContact O-N 2.65Å; N1593-V1597 WeakPolarHBondContact O-CG2 3.24Å; N1593-F1610 WeakPolarHBondContact ND2-CE2 3.5Å |
| 1594 | D | 52.4 | Low | 51.7 | Low | 87 Ų | 87 | 84.8 Ų | 84.8 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | trans | -83.1 | 32.8 | -178.3 | -132.5 | -8.6 | 0 | 0 | 0 | 113.2 | L1590 Y1591 L1592 G1596 V1597 I1608 | L1590-D1594 PolarHBondContact O-N 3.02Å; L1590-D1594 VanDerWaalsContact O-N 3.13Å; Y1591-D1594 PolarHBondContact O-N 3.23Å; L1592-D1594 VanDerWaalsContact C-N 3.3Å; D1594-G1596 PolarHBondContact O-N 3.22Å; D1594-G1596 VanDerWaalsContact O-N 3.12Å; D1594-G1596 PolarHBondContact OD1-N 2.84Å; D1594-V1597 HydrophobicContact CB-CG2 4.11Å; D1594-V1597 PolarHBondContact O-N 3.34Å; D1594-V1597 VanDerWaalsContact O-N 3.14Å; D1594-I1608 WeakPolarHBondContact OD1-CD1 3.48Å | ||
| 1595 | F | 44.2 | Very low | 49.7 | Very low | 150.4 Ų | 150.4 | 90.8 Ų | 90.8 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -6.3 | -179.5 | -84.5 | -86.4 | 0 | 0 | 0 | 114.3 | I1475 Y1591 L1592 N1593 V1597 | I1475-F1595 HydrophobicContact CG2-CZ 4.17Å; Y1591-F1595 PolarHBondContact O-N 3.01Å; L1592-F1595 HydrophobicContact CD2-CE2 4.22Å; L1592-F1595 VanDerWaalsContact O-CD2 3.27Å; L1592-F1595 WeakPolarHBondContact O-CD2 3.47Å; N1593-F1595 VanDerWaalsContact C-N 3.33Å; N1593-F1595 PolarHBondContact O-N 3.22Å; N1593-F1595 VanDerWaalsContact O-N 3.16Å; F1595-V1597 PolarHBondContact O-N 3.43Å; F1595-V1597 VanDerWaalsContact O-N 3.09Å |
| 1596 | G | 42.7 | Very low | 47.4 | Very low | 59 Ų | 59 | 95 Ų | 95 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1592 N1593 D1594 Q1598 S1599 | L1592-G1596 PolarHBondContact O-N 2.93Å; N1593-G1596 PolarHBondContact O-N 2.65Å; D1594-G1596 PolarHBondContact O-N 3.22Å; D1594-G1596 VanDerWaalsContact O-N 3.12Å; D1594-G1596 PolarHBondContact OD1-N 2.84Å; G1596-Q1598 VanDerWaalsContact C-N 3.31Å; G1596-Q1598 PolarHBondContact O-N 3.5Å; G1596-S1599 PolarHBondContact O-OG 2.78Å |
| 1597 | V | 39.5 | Very low | 45.2 | Very low | 87.8 Ų | 87.8 | 102.7 Ų | 102.7 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -9.5 | -170.8 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | Y1591 N1593 D1594 F1595 S1599 Q1600 | Y1591-V1597 HydrophobicContact CD1-CB 4.4Å; Y1591-V1597 HydrophobicContact CD1-CG1 3.76Å; Y1591-V1597 HydrophobicContact CE1-CG1 3.74Å; N1593-V1597 WeakPolarHBondContact O-CG2 3.24Å; D1594-V1597 HydrophobicContact CB-CG2 4.11Å; D1594-V1597 PolarHBondContact O-N 3.34Å; D1594-V1597 VanDerWaalsContact O-N 3.14Å; F1595-V1597 PolarHBondContact O-N 3.43Å; F1595-V1597 VanDerWaalsContact O-N 3.09Å; V1597-S1599 PolarHBondContact O-N 3.28Å; V1597-S1599 VanDerWaalsContact O-N 3.08Å; V1597-Q1600 PolarHBondContact O-N 3.14Å |
| 1598 | Q | 35.7 | Very low | 43.5 | Very low | 149.2 Ų | 149.2 | 104.5 Ų | 104.5 | 70% | 0.697 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 3.8 | 178.6 | -73 | -172 | -7.3 | 0 | 0 | 114.4 | G1596 | G1596-Q1598 VanDerWaalsContact C-N 3.31Å; G1596-Q1598 PolarHBondContact O-N 3.5Å |
| 1599 | S | 35.5 | Very low | 41.6 | Very low | 98.4 Ų | 98.4 | 110.7 Ų | 110.7 | 69% | 0.688 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 32.3 | 174.1 | 63.5 | 0 | 0 | 0 | 0 | 116.1 | G1596 V1597 L1601 | G1596-S1599 PolarHBondContact O-OG 2.78Å; V1597-S1599 PolarHBondContact O-N 3.28Å; V1597-S1599 VanDerWaalsContact O-N 3.08Å; S1599-L1601 PolarHBondContact O-N 3.09Å |
| 1600 | Q | 32.5 | Very low | 39.8 | Very low | 172.6 Ų | 172.6 | 114.5 Ų | 114.5 | 81% | 0.807 | 60% | 0.604 | S | S | * | * | trans | -114.5 | 91.3 | 165.5 | -69.8 | -173.2 | -17.4 | 0 | 0 | 113.9 | V1597 D1602 | V1597-Q1600 PolarHBondContact O-N 3.14Å; Q1600-D1602 PolarHBondContact O-N 3.38Å | ||
| 1601 | L | 28.8 | Very low | 38.1 | Very low | 141.6 Ų | 141.6 | 120 Ų | 120 | 74% | 0.741 | 62% | 0.622 | S | S | * | * | trans | -99.3 | 70.8 | 164.3 | -88.4 | 150.2 | 0 | 0 | 0 | 112.2 | S1599 M1603 | S1599-L1601 PolarHBondContact O-N 3.09Å; L1601-M1603 VanDerWaalsContact C-N 3.33Å; L1601-M1603 HydrophobicContact CD2-CG 4.24Å; L1601-M1603 PolarHBondContact O-N 3.22Å | ||
| 1602 | D | 30 | Very low | 36.5 | Very low | 150.8 Ų | 150.8 | 118.9 Ų | 118.9 | 81% | 0.806 | 63% | 0.626 | S | S | * | * | trans | -122.2 | 103.3 | 149.5 | -85.1 | -22.9 | 0 | 0 | 0 | 112 | Q1600 N1604 | Q1600-D1602 PolarHBondContact O-N 3.38Å; D1602-N1604 VanDerWaalsContact C-N 3.28Å; D1602-N1604 PolarHBondContact O-N 3.23Å; D1602-N1604 VanDerWaalsContact O-N 3.11Å | ||
| 1603 | M | 28.3 | Very low | 35 | Very low | 163.8 Ų | 163.8 | 121.6 Ų | 121.6 | 81% | 0.807 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 76 | -179.6 | -73.5 | -79.2 | -92.5 | 0 | 0 | 113.4 | L1601 N1605 | L1601-M1603 VanDerWaalsContact C-N 3.33Å; L1601-M1603 HydrophobicContact CD2-CG 4.24Å; L1601-M1603 PolarHBondContact O-N 3.22Å; M1603-N1605 PolarHBondContact O-N 2.91Å |
| 1604 | N | 31.2 | Very low | 33.5 | Very low | 142.4 Ų | 142.4 | 123.3 Ų | 123.3 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 73.5 | 176.7 | -79.7 | -21.6 | 0 | 0 | 0 | 115.1 | D1602 S1606 | D1602-N1604 VanDerWaalsContact C-N 3.28Å; D1602-N1604 PolarHBondContact O-N 3.23Å; D1602-N1604 VanDerWaalsContact O-N 3.11Å; N1604-S1606 VanDerWaalsContact C-N 3.31Å; N1604-S1606 PolarHBondContact O-N 2.96Å |
| 1605 | N | 30.2 | Very low | 32.6 | Very low | 151.2 Ų | 151.2 | 125.2 Ų | 125.2 | 81% | 0.809 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -138 | 73 | 163.1 | -79 | -24 | 0 | 0 | 0 | 115.3 | M1603 Q1607 | M1603-N1605 PolarHBondContact O-N 2.91Å; N1605-Q1607 PolarHBondContact O-N 2.86Å; N1605-Q1607 VanDerWaalsContact O-N 3.13Å |
| 1606 | S | 27.4 | Very low | 32 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | trans | -64.6 | 97.8 | 166.7 | 57.1 | 0 | 0 | 0 | 0 | 112 | N1604 I1608 | N1604-S1606 VanDerWaalsContact C-N 3.31Å; N1604-S1606 PolarHBondContact O-N 2.96Å; S1606-I1608 VanDerWaalsContact C-N 3.3Å; S1606-I1608 PolarHBondContact O-N 3.19Å; S1606-I1608 VanDerWaalsContact O-N 3.11Å | ||
| 1607 | Q | 28.7 | Very low | 31.3 | Very low | 163.4 Ų | 163.4 | 128.8 Ų | 128.8 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | trans | -65.1 | 102.3 | 166 | -75 | -178.7 | -12 | 0 | 0 | 109.2 | N1605 L1609 | N1605-Q1607 PolarHBondContact O-N 2.86Å; N1605-Q1607 VanDerWaalsContact O-N 3.13Å; Q1607-L1609 PolarHBondContact O-N 3.17Å; Q1607-L1609 VanDerWaalsContact O-N 3.09Å | ||
| 1608 | I | 32.3 | Very low | 30.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | trans | -80.6 | 109.9 | 170.1 | -54.2 | 177 | 0 | 0 | 0 | 107.4 | N1567 D1594 S1606 F1610 | N1567-I1608 HydrophobicContact CB-CD1 4.22Å; D1594-I1608 WeakPolarHBondContact OD1-CD1 3.48Å; S1606-I1608 VanDerWaalsContact C-N 3.3Å; S1606-I1608 PolarHBondContact O-N 3.19Å; S1606-I1608 VanDerWaalsContact O-N 3.11Å; I1608-F1610 HydrophobicContact CB-CD2 4.5Å; I1608-F1610 HydrophobicContact CB-CE2 4.04Å; I1608-F1610 HydrophobicContact CB-CZ 4.17Å; I1608-F1610 HydrophobicContact CG2-CD1 4.22Å; I1608-F1610 HydrophobicContact CG2-CD2 4.16Å; I1608-F1610 HydrophobicContact CG2-CE1 4.06Å; I1608-F1610 HydrophobicContact CG2-CE2 3.55Å; I1608-F1610 HydrophobicContact CG2-CG 4.46Å; I1608-F1610 HydrophobicContact CG2-CZ 3.57Å; I1608-F1610 WeakPolarHBondContact O-CD2 3.49Å; I1608-F1610 PolarHBondContact O-N 3.3Å | ||
| 1609 | L | 28.6 | Very low | 30.5 | Very low | 129.6 Ų | 129.6 | 128.7 Ų | 128.7 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | -85.7 | 115.1 | 178.9 | -77.4 | 156.8 | 0 | 0 | 0 | 110.1 | Q1607 K1621 | Q1607-L1609 PolarHBondContact O-N 3.17Å; Q1607-L1609 VanDerWaalsContact O-N 3.09Å; L1609-K1621 HydrophobicContact CD1-CB 4.34Å; L1609-K1621 HydrophobicContact CD1-CD 3.87Å; L1609-K1621 HydrophobicContact CD2-CD 4.21Å | ||
| 1610 | F | 33.8 | Very low | 30.4 | Very low | 89.2 Ų | 89.2 | 130 Ų | 130 | 39% | 0.391 | 68% | 0.678 | S | S | . | * | trans | -98.8 | 135 | 175.2 | -62.4 | -78.9 | 0 | 0 | 0 | 111.3 | C1570 E1571 L1587 L1590 N1593 I1608 V1612 M1627 | C1570-F1610 HydrophobicContact CB-CD1 4.25Å; C1570-F1610 HydrophobicContact CB-CE1 3.93Å; E1571-F1610 HydrophobicContact CG-CD1 3.69Å; E1571-F1610 HydrophobicContact CG-CE1 4.08Å; L1587-F1610 HydrophobicContact CD2-CE1 4.42Å; L1587-F1610 HydrophobicContact CD2-CE2 4.16Å; L1587-F1610 HydrophobicContact CD2-CZ 4.04Å; L1590-F1610 HydrophobicContact CD1-CB 4.06Å; L1590-F1610 HydrophobicContact CD1-CD1 3.78Å; L1590-F1610 HydrophobicContact CD1-CD2 3.81Å; L1590-F1610 HydrophobicContact CD1-CE1 4.03Å; L1590-F1610 HydrophobicContact CD1-CE2 4.02Å; L1590-F1610 HydrophobicContact CD1-CG 4.04Å; L1590-F1610 HydrophobicContact CD1-CZ 4.15Å; L1590-F1610 HydrophobicContact CD2-CB 4.35Å; L1590-F1610 HydrophobicContact CD2-CD1 3.96Å; L1590-F1610 HydrophobicContact CD2-CD2 4.45Å; L1590-F1610 HydrophobicContact CD2-CE1 3.34Å; L1590-F1610 HydrophobicContact CD2-CE2 3.88Å; L1590-F1610 HydrophobicContact CD2-CG 4.48Å; L1590-F1610 HydrophobicContact CD2-CZ 3.3Å; L1590-F1610 HydrophobicContact CG-CB 4.03Å; L1590-F1610 HydrophobicContact CG-CE1 4.33Å; L1590-F1610 HydrophobicContact CG-CE2 4.39Å; L1590-F1610 HydrophobicContact CG-CG 4.35Å; L1590-F1610 HydrophobicContact CG-CZ 4.25Å; N1593-F1610 WeakPolarHBondContact ND2-CE2 3.5Å; I1608-F1610 HydrophobicContact CB-CD2 4.5Å; I1608-F1610 HydrophobicContact CB-CE2 4.04Å; I1608-F1610 HydrophobicContact CB-CZ 4.17Å; I1608-F1610 HydrophobicContact CG2-CD1 4.22Å; I1608-F1610 HydrophobicContact CG2-CD2 4.16Å; I1608-F1610 HydrophobicContact CG2-CE1 4.06Å; I1608-F1610 HydrophobicContact CG2-CE2 3.55Å; I1608-F1610 HydrophobicContact CG2-CG 4.46Å; I1608-F1610 HydrophobicContact CG2-CZ 3.57Å; I1608-F1610 WeakPolarHBondContact O-CD2 3.49Å; I1608-F1610 PolarHBondContact O-N 3.3Å; F1610-V1612 PolarHBondContact O-N 3.37Å; F1610-M1627 HydrophobicContact CE1-CE 4.27Å | ||
| 1611 | R | 29.8 | Very low | 30.3 | Very low | 153.8 Ų | 153.8 | 129.9 Ų | 129.9 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | trans | -89.6 | 113.1 | 173.5 | -157.6 | -179.1 | -178.2 | 170.6 | 1.2 | 109.8 | N1575 N1613 C1617 T1618 L1619 | N1575-R1611 PolarHBondContact OD1-O 2.94Å; N1575-R1611 VanDerWaalsContact OD1-O 3.05Å; R1611-N1613 PolarHBondContact NE-OD1 3.15Å; R1611-N1613 PolarHBondContact NH2-OD1 2.98Å; R1611-N1613 PolarHBondContact O-N 3.2Å; R1611-N1613 VanDerWaalsContact O-N 3.09Å; R1611-C1617 PolarHBondContact NH2-O 3.27Å; R1611-T1618 VanDerWaalsContact NH1-C 3.31Å; R1611-T1618 PolarHBondContact NH1-O 2.98Å; R1611-T1618 PolarHBondContact NH2-O 3.5Å; R1611-L1619 HydrophobicContact CB-CD1 4.24Å; R1611-L1619 VanDerWaalsContact NH1-CA 3.3Å | ||
| 1612 | V | 31.8 | Very low | 30.5 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 52% | 0.521 | 67% | 0.672 | S | S | . | * | trans | -91 | 116 | 169.6 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | I1574 L1590 F1610 L1614 Y2077 | I1574-V1612 HydrophobicContact CD1-CG2 4.07Å; I1574-V1612 HydrophobicContact CG2-CB 4.34Å; I1574-V1612 HydrophobicContact CG2-CG1 3.83Å; I1574-V1612 HydrophobicContact CG2-CG2 4.04Å; L1590-V1612 HydrophobicContact CD1-CG2 3.52Å; F1610-V1612 PolarHBondContact O-N 3.37Å; V1612-L1614 VanDerWaalsContact C-N 3.35Å; V1612-L1614 HydrophobicContact CB-CD1 4.43Å; V1612-L1614 HydrophobicContact CG1-CB 4.34Å; V1612-L1614 HydrophobicContact CG1-CD1 3.79Å; V1612-L1614 HydrophobicContact CG1-CG 3.87Å; V1612-L1614 PolarHBondContact O-N 3.01Å; V1612-Y2077 HydrophobicContact CG2-CE1 4.35Å | ||
| 1613 | N | 31.2 | Very low | 30.6 | Very low | 96.8 Ų | 96.8 | 127.6 Ų | 127.6 | 52% | 0.518 | 67% | 0.666 | S | S | . | * | trans | -70.6 | 97.8 | 171.6 | -83.6 | -21.3 | 0 | 0 | 0 | 110.8 | N1575 R1611 P1615 | N1575-N1613 WeakPolarHBondContact CB-ND2 3.32Å; N1575-N1613 PolarHBondContact O-ND2 2.9Å; N1575-N1613 WeakPolarHBondContact OD1-CB 3.38Å; N1575-N1613 PolarHBondContact OD1-N 3.33Å; N1575-N1613 PolarHBondContact OD1-ND2 2.93Å; N1575-N1613 VanDerWaalsContact OD1-ND2 3.13Å; N1575-N1613 PolarHBondContact OD1-OD1 2.91Å; R1611-N1613 PolarHBondContact NE-OD1 3.15Å; R1611-N1613 PolarHBondContact NH2-OD1 2.98Å; R1611-N1613 PolarHBondContact O-N 3.2Å; R1611-N1613 VanDerWaalsContact O-N 3.09Å; N1613-P1615 WeakPolarHBondContact O-CD 3.49Å | ||
| 1614 | L | 29.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 68% | 0.681 | 66% | 0.664 | S | S | * | * | trans | -83.6 | 134.9 | 159.5 | -86.4 | 146.7 | 0 | 0 | 0 | 107.6 | V1612 K1616 C1617 | V1612-L1614 VanDerWaalsContact C-N 3.35Å; V1612-L1614 HydrophobicContact CB-CD1 4.43Å; V1612-L1614 HydrophobicContact CG1-CB 4.34Å; V1612-L1614 HydrophobicContact CG1-CD1 3.79Å; V1612-L1614 HydrophobicContact CG1-CG 3.87Å; V1612-L1614 PolarHBondContact O-N 3.01Å; L1614-K1616 VanDerWaalsContact C-N 3.26Å; L1614-K1616 PolarHBondContact O-N 3.16Å; L1614-C1617 PolarHBondContact O-N 2.96Å; L1614-C1617 VanDerWaalsContact O-N 3.08Å | ||
| 1615 | P | 32.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69.5 | 39.1 | -172.2 | 26.7 | -32.8 | 0 | 0 | 0 | 113 | N1613 | N1613-P1615 WeakPolarHBondContact O-CD 3.49Š|
| 1616 | K | 31.3 | Very low | 31.2 | Very low | 193.6 Ų | 193.6 | 127 Ų | 127 | 84% | 0.842 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.4 | 54.7 | 168.7 | -81.2 | 177.6 | -178.9 | -179.3 | 0 | 112.8 | L1614 | L1614-K1616 VanDerWaalsContact C-N 3.26Å; L1614-K1616 PolarHBondContact O-N 3.16Å |
| 1617 | C | 28.8 | Very low | 31.8 | Very low | 91.6 Ų | 91.6 | 128 Ų | 128 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | trans | -159 | 109.8 | 169.8 | -88 | 0 | 0 | 0 | 0 | 113.4 | R1611 L1614 L1619 | R1611-C1617 PolarHBondContact NH2-O 3.27Å; L1614-C1617 PolarHBondContact O-N 2.96Å; L1614-C1617 VanDerWaalsContact O-N 3.08Å; C1617-L1619 PolarHBondContact O-N 3.48Å | ||
| 1618 | T | 31.1 | Very low | 32.5 | Very low | 106.6 Ų | 106.6 | 125.2 Ų | 125.2 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | trans | -49.6 | 91.6 | 159.5 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | R1611 I1620 A1963 T1964 Y1965 | R1611-T1618 VanDerWaalsContact NH1-C 3.31Å; R1611-T1618 PolarHBondContact NH1-O 2.98Å; R1611-T1618 PolarHBondContact NH2-O 3.5Å; T1618-I1620 PolarHBondContact O-N 2.93Å; T1618-A1963 HydrophobicContact CG2-CB 3.34Å; T1618-T1964 WeakPolarHBondContact CB-O 3.43Å; T1618-T1964 VanDerWaalsContact CG2-N 3.31Å; T1618-T1964 WeakPolarHBondContact CG2-O 3.07Å; T1618-T1964 PolarHBondContact OG1-O 2.93Å; T1618-Y1965 PolarHBondContact OG1-O 2.72Å | ||
| 1619 | L | 28.1 | Very low | 33 | Very low | 128.8 Ų | 128.8 | 125 Ų | 125 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | trans | -108.3 | 107.7 | 171.4 | -102.5 | 152 | 0 | 0 | 0 | 109.9 | R1611 C1617 K1621 Y1965 | R1611-L1619 HydrophobicContact CB-CD1 4.24Å; R1611-L1619 VanDerWaalsContact NH1-CA 3.3Å; C1617-L1619 PolarHBondContact O-N 3.48Å; L1619-K1621 PolarHBondContact O-N 3Å; L1619-Y1965 HydrophobicContact CB-CE1 4.25Å; L1619-Y1965 WeakPolarHBondContact O-CE1 3.36Å; L1619-Y1965 PolarHBondContact O-OH 2.89Å | ||
| 1620 | I | 32.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 65% | 0.646 | 62% | 0.618 | S | S | * | * | trans | -81.4 | 122.6 | 167.9 | -56.2 | 169.8 | 0 | 0 | 0 | 107.5 | T1618 Y1940 Y1965 | T1618-I1620 PolarHBondContact O-N 2.93Å; I1620-Y1940 HydrophobicContact CD1-CD1 4.1Å; I1620-Y1940 HydrophobicContact CD1-CE1 3.48Å; I1620-Y1940 VanDerWaalsContact CD1-CE1 3.48Å; I1620-Y1940 HydrophobicContact CD1-CE2 4.24Å; I1620-Y1965 HydrophobicContact CB-CD1 4.33Å; I1620-Y1965 HydrophobicContact CB-CE1 4.25Å; I1620-Y1965 HydrophobicContact CD1-CD1 3.94Å; I1620-Y1965 HydrophobicContact CD1-CD2 3.21Å; I1620-Y1965 HydrophobicContact CD1-CE1 3.92Å; I1620-Y1965 HydrophobicContact CD1-CE2 3.14Å; I1620-Y1965 HydrophobicContact CD1-CG 3.54Å; I1620-Y1965 VanDerWaalsContact CD1-CZ 3.42Å; I1620-Y1965 HydrophobicContact CG1-CD1 3.33Å; I1620-Y1965 HydrophobicContact CG1-CD2 3.6Å; I1620-Y1965 HydrophobicContact CG1-CE1 3.12Å; I1620-Y1965 HydrophobicContact CG1-CE2 3.36Å; I1620-Y1965 HydrophobicContact CG1-CG 3.5Å; I1620-Y1965 VanDerWaalsContact CG1-CG 3.5Å; I1620-Y1965 WeakPolarHBondContact CG1-OH 3.42Å | ||
| 1621 | K | 30.9 | Very low | 34.4 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 74% | 0.739 | 61% | 0.612 | S | S | * | * | trans | -78.5 | 136.4 | 166 | -77.4 | -177.6 | 175.3 | -179.1 | 0 | 109.2 | L1609 L1619 M1623 | L1609-K1621 HydrophobicContact CD1-CB 4.34Å; L1609-K1621 HydrophobicContact CD1-CD 3.87Å; L1609-K1621 HydrophobicContact CD2-CD 4.21Å; L1619-K1621 PolarHBondContact O-N 3Å; K1621-M1623 VanDerWaalsContact C-N 3.28Å; K1621-M1623 WeakPolarHBondContact O-CA 3.49Å; K1621-M1623 PolarHBondContact O-N 3.3Å; K1621-M1623 VanDerWaalsContact O-N 3.08Å | ||
| 1622 | P | 33.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | trans | -68.4 | 124.1 | -173.6 | 14.9 | -12.5 | 0 | 0 | 0 | 110.1 | Q1624 | P1622-Q1624 PolarHBondContact O-N 3.07Š| ||
| 1623 | M | 31.8 | Very low | 35.9 | Very low | 138.8 Ų | 138.8 | 116.5 Ų | 116.5 | 68% | 0.684 | 60% | 0.595 | S | S | * | * | trans | -75.7 | 131.6 | 173.3 | -90.7 | -179.2 | 89.6 | 0 | 0 | 108.8 | K1621 R1625 L1671 | K1621-M1623 VanDerWaalsContact C-N 3.28Å; K1621-M1623 WeakPolarHBondContact O-CA 3.49Å; K1621-M1623 PolarHBondContact O-N 3.3Å; K1621-M1623 VanDerWaalsContact O-N 3.08Å; M1623-R1625 HydrophobicContact CB-CG 4.29Å; M1623-R1625 PolarHBondContact O-N 2.92Å; M1623-L1671 HydrophobicContact CE-CD1 3.67Å; M1623-L1671 HydrophobicContact CE-CD2 3.57Å; M1623-L1671 HydrophobicContact CE-CG 4.27Å; M1623-L1671 HydrophobicContact CG-CD1 4.23Å; M1623-L1671 HydrophobicContact SD-CD1 4.26Å | ||
| 1624 | Q | 32.6 | Very low | 36.5 | Very low | 159.6 Ų | 159.6 | 113.5 Ų | 113.5 | 75% | 0.746 | 58% | 0.58 | S | S | * | * | trans | -70.4 | 127.6 | 169.4 | -105.9 | 178.7 | -4.9 | 0 | 0 | 109.7 | P1622 N1626 | P1622-Q1624 PolarHBondContact O-N 3.07Å; Q1624-N1626 PolarHBondContact O-N 2.93Å | ||
| 1625 | R | 33.7 | Very low | 37.2 | Very low | 159.8 Ų | 159.8 | 113.1 Ų | 113.1 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | trans | -78.9 | 77.3 | -173.3 | -90.3 | -177.6 | 176.9 | 173.2 | -1.7 | 113.4 | M1623 V1797 W1968 D2012 | M1623-R1625 HydrophobicContact CB-CG 4.29Å; M1623-R1625 PolarHBondContact O-N 2.92Å; R1625-V1797 HydrophobicContact CG-CG1 3.92Å; R1625-V1797 VanDerWaalsContact CZ-C 3.44Å; R1625-V1797 VanDerWaalsContact CZ-CA 3.45Å; R1625-V1797 PolarHBondContact NE-O 3.28Å; R1625-V1797 PolarHBondContact NH2-O 2.77Å; R1625-W1968 VanDerWaalsContact NH2-CZ3 3.28Å; R1625-D2012 PolarHBondContact NH1-O 3.37Å | ||
| 1626 | N | 36.7 | Very low | 37.7 | Very low | 125.4 Ų | 125.4 | 113.7 Ų | 113.7 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | -173.8 | 51.9 | 177.7 | -71.4 | -4.4 | 0 | 0 | 0 | 114.2 | Q1624 | Q1624-N1626 PolarHBondContact O-N 2.93Š| ||
| 1627 | M | 39.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 106.7 Ų | 106.7 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | trans | -103.7 | 96.2 | 144.1 | -70.8 | -169.7 | 133.5 | 0 | 0 | 110.1 | L1590 F1610 Y1629 T1670 L1671 W1724 Q1745 | L1590-M1627 HydrophobicContact CD1-CE 4.1Å; F1610-M1627 HydrophobicContact CE1-CE 4.27Å; M1627-Y1629 PolarHBondContact O-N 3.16Å; M1627-T1670 WeakPolarHBondContact CE-O 3.37Å; M1627-L1671 HydrophobicContact CB-CB 4.04Å; M1627-L1671 HydrophobicContact CB-CD1 3.16Å; M1627-L1671 HydrophobicContact CB-CG 4.15Å; M1627-L1671 HydrophobicContact CG-CB 4.18Å; M1627-L1671 HydrophobicContact CG-CD1 3.86Å; M1627-L1671 HydrophobicContact SD-CB 3.43Å; M1627-L1671 WeakPolarHBondContact SD-CB 3.49Å; M1627-L1671 HydrophobicContact SD-CD1 3.53Å; M1627-L1671 VanDerWaalsContact SD-CD1 3.53Å; M1627-L1671 HydrophobicContact SD-CG 3.7Å; M1627-W1724 HydrophobicContact CE-CE3 4.47Å; M1627-W1724 HydrophobicContact CE-CH2 4.02Å; M1627-W1724 HydrophobicContact CE-CZ3 3.49Å; M1627-W1724 VanDerWaalsContact CE-CZ3 3.49Å; M1627-Q1745 HydrophobicContact CE-CB 3.45Å; M1627-Q1745 VanDerWaalsContact CE-CB 3.45Å; M1627-Q1745 HydrophobicContact SD-CB 4.42Å | ||
| 1628 | I | 43.1 | Very low | 39.1 | Very low | 104.2 Ų | 104.2 | 104.8 Ų | 104.8 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | trans | -84.4 | 116.1 | 159.5 | -63.1 | 176.1 | 0 | 0 | 0 | 106.5 | N1575 K1630 L1671 T1678 | N1575-I1628 PolarHBondContact ND2-O 2.93Å; N1575-I1628 VanDerWaalsContact ND2-O 3.08Å; I1628-K1630 VanDerWaalsContact C-N 3.29Å; I1628-K1630 WeakPolarHBondContact O-CA 3.46Å; I1628-K1630 PolarHBondContact O-N 3.01Å; I1628-K1630 VanDerWaalsContact O-N 3.13Å; I1628-L1671 HydrophobicContact CG2-CD1 4.26Å; I1628-T1678 WeakPolarHBondContact CD1-OG1 3.07Å; I1628-T1678 WeakPolarHBondContact CG1-OG1 3.23Å | ||
| 1629 | Y | 43.7 | Very low | 40.1 | Very low | 91.2 Ų | 91.2 | 105 Ų | 105 | 36% | 0.358 | 55% | 0.55 | S | S | . | . | trans | -71.2 | 130.8 | 172 | -163.6 | -98.6 | 0 | 0 | 0 | 109.2 | M1627 P1631 M1639 D1640 P1642 Y1656 H1681 | M1627-Y1629 PolarHBondContact O-N 3.16Å; Y1629-P1631 VanDerWaalsContact C-N 3.34Å; Y1629-P1631 HydrophobicContact CD1-CB 4.37Å; Y1629-P1631 HydrophobicContact CE1-CB 4.16Å; Y1629-P1631 HydrophobicContact CE1-CG 4.26Å; Y1629-P1631 WeakPolarHBondContact O-CD 3.39Å; Y1629-P1631 VanDerWaalsContact O-N 3.12Å; Y1629-M1639 WeakPolarHBondContact OH-CE 3.27Å; Y1629-D1640 WeakPolarHBondContact CE1-O 3.46Å; Y1629-P1642 HydrophobicContact CD1-CG 4.47Å; Y1629-P1642 HydrophobicContact CE1-CB 4.48Å; Y1629-P1642 HydrophobicContact CE1-CG 3.91Å; Y1629-Y1656 HydrophobicContact CD2-CE1 4.27Å; Y1629-Y1656 AromaticContact CD2-CE2 3.73Å; Y1629-Y1656 HydrophobicContact CD2-CE2 3.73Å; Y1629-Y1656 AromaticContact CD2-CZ 3.7Å; Y1629-Y1656 HydrophobicContact CE1-CE2 4.41Å; Y1629-Y1656 HydrophobicContact CE2-CD2 4.48Å; Y1629-Y1656 AromaticContact CE2-CE1 3.9Å; Y1629-Y1656 HydrophobicContact CE2-CE1 3.9Å; Y1629-Y1656 AromaticContact CE2-CE2 3.51Å; Y1629-Y1656 HydrophobicContact CE2-CE2 3.51Å; Y1629-Y1656 AromaticContact CE2-CZ 3.4Å; Y1629-Y1656 WeakPolarHBondContact CE2-OH 3.41Å; Y1629-Y1656 AromaticContact CZ-CE2 3.48Å; Y1629-Y1656 VanDerWaalsContact CZ-CE2 3.48Å; Y1629-Y1656 AromaticContact CZ-CZ 3.61Å; Y1629-Y1656 WeakPolarHBondContact OH-CE2 3.43Å; Y1629-H1681 WeakPolarHBondContact CB-NE2 3.25Å; Y1629-H1681 AromaticContact CD1-CE1 3.65Å; Y1629-H1681 AromaticContact CD1-NE2 3.07Å; Y1629-H1681 WeakPolarHBondContact CD1-NE2 3.36Å; Y1629-H1681 AromaticContact CE1-NE2 3.91Å; Y1629-H1681 AromaticContact CG-CE1 3.69Å; Y1629-H1681 AromaticContact CG-NE2 3.39Å | ||
| 1630 | K | 45.9 | Very low | 41.7 | Very low | 108.2 Ų | 108.2 | 100 Ų | 100 | 47% | 0.47 | 52% | 0.524 | S | S | . | . | trans | -73.7 | 111.3 | 179.9 | -153.8 | -176.5 | -178.4 | 178.7 | 0 | 108.6 | N1575 D1577 I1628 I1632 L1671 | N1575-K1630 HydrophobicContact CB-CB 4.48Å; D1577-K1630 IonicContact OD2-NZ 3.47Å; D1577-K1630 PolarHBondContact OD2-NZ 3.47Å; I1628-K1630 VanDerWaalsContact C-N 3.29Å; I1628-K1630 WeakPolarHBondContact O-CA 3.46Å; I1628-K1630 PolarHBondContact O-N 3.01Å; I1628-K1630 VanDerWaalsContact O-N 3.13Å; K1630-I1632 PolarHBondContact O-N 3.06Å; K1630-L1671 PolarHBondContact NZ-O 3.19Å | ||
| 1631 | P | 45.2 | Very low | 43.4 | Very low | 38.4 Ų | 38.4 | 96 Ų | 96 | 25% | 0.249 | 51% | 0.505 | C | S | . | . | trans | -63.4 | 129.6 | 176 | 26 | -32.6 | 0 | 0 | 0 | 109 | L1572 Y1629 V1633 M1639 | L1572-P1631 HydrophobicContact CD2-CG 3.43Å; L1572-P1631 VanDerWaalsContact CD2-CG 3.43Å; Y1629-P1631 VanDerWaalsContact C-N 3.34Å; Y1629-P1631 HydrophobicContact CD1-CB 4.37Å; Y1629-P1631 HydrophobicContact CE1-CB 4.16Å; Y1629-P1631 HydrophobicContact CE1-CG 4.26Å; Y1629-P1631 WeakPolarHBondContact O-CD 3.39Å; Y1629-P1631 VanDerWaalsContact O-N 3.12Å; P1631-V1633 HydrophobicContact CB-CG2 4.49Å; P1631-V1633 PolarHBondContact O-N 3.22Å; P1631-V1633 VanDerWaalsContact O-N 3.13Å; P1631-M1639 HydrophobicContact CB-CE 3.74Å; P1631-M1639 HydrophobicContact CB-SD 3.84Å; P1631-M1639 VanDerWaalsContact CB-SD 3.52Å; P1631-M1639 HydrophobicContact CG-CE 3.31Å; P1631-M1639 HydrophobicContact CG-SD 3.62Å; P1631-M1639 VanDerWaalsContact CG-SD 3.57Å | ||
| 1632 | I | 48.6 | Very low | 45.2 | Very low | 67.6 Ų | 67.6 | 89.1 Ų | 89.1 | 35% | 0.347 | 48% | 0.478 | S | S | . | . | trans | -76.9 | 109.1 | 173.9 | -60.1 | 169.7 | 0 | 0 | 0 | 106.3 | K1630 T1634 M1639 D1640 P1642 Y1656 T1658 C1660 H1681 | K1630-I1632 PolarHBondContact O-N 3.06Å; I1632-T1634 PolarHBondContact O-N 3.18Å; I1632-M1639 WeakPolarHBondContact O-CA 3.34Å; I1632-D1640 HydrophobicContact CB-CB 4.42Å; I1632-D1640 HydrophobicContact CG2-CB 4.02Å; I1632-D1640 WeakPolarHBondContact O-CB 3.48Å; I1632-D1640 PolarHBondContact O-N 2.87Å; I1632-P1642 HydrophobicContact CD1-CB 3.82Å; I1632-P1642 HydrophobicContact CD1-CG 3.96Å; I1632-Y1656 HydrophobicContact CD1-CD2 3.98Å; I1632-Y1656 HydrophobicContact CD1-CE1 4.46Å; I1632-Y1656 HydrophobicContact CD1-CE2 3.68Å; I1632-Y1656 HydrophobicContact CG1-CE2 4.19Å; I1632-Y1656 HydrophobicContact CG2-CE2 3.98Å; I1632-T1658 HydrophobicContact CG2-CG2 4.23Å; I1632-C1660 HydrophobicContact CB-CB 4.37Å; I1632-C1660 PolarHBondContact N-O 2.83Å; I1632-C1660 VanDerWaalsContact O-CB 3.27Å; I1632-C1660 WeakPolarHBondContact O-CB 3.37Å; I1632-H1681 WeakPolarHBondContact CD1-O 3.48Å; I1632-H1681 WeakPolarHBondContact CG1-O 3.23Å | ||
| 1633 | V | 44.2 | Very low | 47.2 | Very low | 67.6 Ų | 67.6 | 84.8 Ų | 84.8 | 41% | 0.41 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 119.3 | 172.3 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | V1557 P1631 S1635 S1638 M1639 | V1557-V1633 VanDerWaalsContact O-CG1 3.29Å; V1557-V1633 WeakPolarHBondContact O-CG1 3.29Å; P1631-V1633 HydrophobicContact CB-CG2 4.49Å; P1631-V1633 PolarHBondContact O-N 3.22Å; P1631-V1633 VanDerWaalsContact O-N 3.13Å; V1633-S1635 PolarHBondContact O-N 3.13Å; V1633-S1638 CarbonylContact C-O 3.57Å; V1633-S1638 WeakPolarHBondContact CA-O 3.37Å; V1633-M1639 HydrophobicContact CG2-SD 4.19Å |
| 1634 | T | 44.5 | Very low | 49.4 | Very low | 33.6 Ų | 33.6 | 78.3 Ų | 78.3 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | trans | -60.6 | 153.5 | 175.2 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | I1632 N1636 G1637 S1638 D1640 C1660 | I1632-T1634 PolarHBondContact O-N 3.18Å; T1634-N1636 PolarHBondContact O-N 3.19Å; T1634-N1636 PolarHBondContact OG1-N 3.36Å; T1634-G1637 PolarHBondContact O-N 3.33Å; T1634-G1637 VanDerWaalsContact O-N 3.09Å; T1634-S1638 WeakPolarHBondContact CG2-OG 3.36Å; T1634-S1638 PolarHBondContact N-O 3.25Å; T1634-S1638 PolarHBondContact OG1-N 3.28Å; T1634-S1638 PolarHBondContact OG1-O 3.07Å; T1634-S1638 PolarHBondContact OG1-OG 3.2Å; T1634-S1638 VanDerWaalsContact OG1-OG 3.06Å; T1634-D1640 HydrophobicContact CG2-CB 4.13Å; T1634-C1660 HydrophobicContact CG2-CB 4.45Å; T1634-C1660 WeakPolarHBondContact CG2-SG 3.47Å | ||
| 1635 | S | 43.2 | Very low | 51.7 | Low | 121.2 Ų | 121.2 | 72.3 Ų | 72.3 | 85% | 0.848 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -19.4 | 176.2 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | V1633 | V1633-S1635 PolarHBondContact O-N 3.13Š|
| 1636 | N | 43.8 | Very low | 54 | Low | 140.4 Ų | 140.4 | 66.2 Ų | 66.2 | 75% | 0.751 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.1 | -177.8 | -63.3 | -0.7 | 0 | 0 | 0 | 113.3 | T1634 S1638 | T1634-N1636 PolarHBondContact O-N 3.19Å; T1634-N1636 PolarHBondContact OG1-N 3.36Å; N1636-S1638 VanDerWaalsContact C-N 3.29Å; N1636-S1638 PolarHBondContact O-N 3.14Å |
| 1637 | G | 42 | Very low | 56 | Low | 46 Ų | 46 | 61.5 Ų | 61.5 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 69.6 | 19.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1634 | T1634-G1637 PolarHBondContact O-N 3.33Å; T1634-G1637 VanDerWaalsContact O-N 3.09Å |
| 1638 | S | 47.1 | Very low | 57.8 | Low | 51.8 Ų | 51.8 | 56.5 Ų | 56.5 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | trans | -91.1 | 136.1 | 175.4 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | E1560 V1633 T1634 N1636 D1640 D2514 | E1560-S1638 VanDerWaalsContact OE2-C 3.3Å; E1560-S1638 PolarHBondContact OE2-N 3.25Å; V1633-S1638 CarbonylContact C-O 3.57Å; V1633-S1638 WeakPolarHBondContact CA-O 3.37Å; T1634-S1638 WeakPolarHBondContact CG2-OG 3.36Å; T1634-S1638 PolarHBondContact N-O 3.25Å; T1634-S1638 PolarHBondContact OG1-N 3.28Å; T1634-S1638 PolarHBondContact OG1-O 3.07Å; T1634-S1638 PolarHBondContact OG1-OG 3.2Å; T1634-S1638 VanDerWaalsContact OG1-OG 3.06Å; N1636-S1638 VanDerWaalsContact C-N 3.29Å; N1636-S1638 PolarHBondContact O-N 3.14Å; S1638-D1640 PolarHBondContact O-N 3.09Å; S1638-D2514 WeakPolarHBondContact CB-O 3.39Å | ||
| 1639 | M | 52.9 | Low | 59 | Low | 110.8 Ų | 110.8 | 54.5 Ų | 54.5 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -54 | 126.5 | 170.9 | -70.7 | -121.2 | -30.5 | 0 | 0 | 110.2 | E1560 Y1629 P1631 I1632 V1633 V1641 N1952 C2517 | E1560-M1639 PolarHBondContact OE2-N 3.23Å; Y1629-M1639 WeakPolarHBondContact OH-CE 3.27Å; P1631-M1639 HydrophobicContact CB-CE 3.74Å; P1631-M1639 HydrophobicContact CB-SD 3.84Å; P1631-M1639 VanDerWaalsContact CB-SD 3.52Å; P1631-M1639 HydrophobicContact CG-CE 3.31Å; P1631-M1639 HydrophobicContact CG-SD 3.62Å; P1631-M1639 VanDerWaalsContact CG-SD 3.57Å; I1632-M1639 WeakPolarHBondContact O-CA 3.34Å; V1633-M1639 HydrophobicContact CG2-SD 4.19Å; M1639-V1641 PolarHBondContact O-N 2.96Å; M1639-N1952 WeakPolarHBondContact CB-ND2 3.41Å; M1639-C2517 WeakPolarHBondContact CE-SG 3.36Å |
| 1640 | D | 61.7 | Low | 60.2 | Low | 22.8 Ų | 22.8 | 53.6 Ų | 53.6 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | trans | -78.5 | 132.5 | 178.3 | -160.4 | 5.4 | 0 | 0 | 0 | 110.5 | Y1629 I1632 T1634 S1638 T1658 R1659 C1660 C2517 | Y1629-D1640 WeakPolarHBondContact CE1-O 3.46Å; I1632-D1640 HydrophobicContact CB-CB 4.42Å; I1632-D1640 HydrophobicContact CG2-CB 4.02Å; I1632-D1640 WeakPolarHBondContact O-CB 3.48Å; I1632-D1640 PolarHBondContact O-N 2.87Å; T1634-D1640 HydrophobicContact CG2-CB 4.13Å; S1638-D1640 PolarHBondContact O-N 3.09Å; D1640-T1658 VanDerWaalsContact CG-CB 3.45Å; D1640-T1658 VanDerWaalsContact CG-OG1 3.32Å; D1640-T1658 VanDerWaalsContact OD1-CB 3.26Å; D1640-T1658 WeakPolarHBondContact OD1-CB 3.32Å; D1640-T1658 PolarHBondContact OD1-OG1 3.18Å; D1640-T1658 VanDerWaalsContact OD1-OG1 3.09Å; D1640-T1658 WeakPolarHBondContact OD2-CB 3.31Å; D1640-T1658 WeakPolarHBondContact OD2-CG2 3.32Å; D1640-T1658 PolarHBondContact OD2-OG1 3.07Å; D1640-R1659 WeakPolarHBondContact OD1-CA 3.31Å; D1640-R1659 WeakPolarHBondContact OD1-CB 3.31Å; D1640-R1659 PolarHBondContact OD1-N 3.06Å; D1640-R1659 VanDerWaalsContact OD1-N 3.1Å; D1640-C1660 VanDerWaalsContact CG-SG 3.52Å; D1640-C1660 WeakPolarHBondContact OD1-CB 3.39Å; D1640-C1660 PolarHBondContact OD1-N 3.24Å; D1640-C1660 VanDerWaalsContact OD1-N 3.07Å; D1640-C1660 PolarHBondContact OD1-SG 3.37Å; D1640-C1660 VanDerWaalsContact OD2-CB 3.3Å; D1640-C1660 WeakPolarHBondContact OD2-CB 3.32Å; D1640-C1660 PolarHBondContact OD2-N 3.02Å; D1640-C1660 PolarHBondContact OD2-SG 2.82Å; D1640-C2517 WeakPolarHBondContact O-CB 3.47Å; D1640-C2517 PolarHBondContact O-SG 3.18Å | ||
| 1641 | V | 66.5 | Low | 61.2 | Low | 41.6 Ų | 41.6 | 49.8 Ų | 49.8 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | trans | -95.8 | 127.3 | -174.3 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | M1639 T1643 T1658 R1659 L1950 G2509 | M1639-V1641 PolarHBondContact O-N 2.96Å; V1641-T1643 HydrophobicContact CG1-CG2 4.46Å; V1641-T1643 PolarHBondContact O-N 3.24Å; V1641-T1658 CarbonylContact O-C 3.54Å; V1641-T1658 WeakPolarHBondContact O-CA 3.39Å; V1641-R1659 HydrophobicContact CB-CB 4.42Å; V1641-R1659 PolarHBondContact O-N 2.99Å; V1641-L1950 HydrophobicContact CG1-CB 4.46Å; V1641-L1950 HydrophobicContact CG1-CD2 4.02Å; V1641-G2509 VanDerWaalsContact CG1-CA 3.45Å | ||
| 1642 | P | 69.8 | Low | 62.5 | Low | 26.6 Ų | 26.6 | 53.1 Ų | 53.1 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 118.1 | 173.1 | 28.9 | -32.6 | 0 | 0 | 0 | 109.3 | Y1629 I1632 Y1656 G1657 A2507 C2517 V2519 | Y1629-P1642 HydrophobicContact CD1-CG 4.47Å; Y1629-P1642 HydrophobicContact CE1-CB 4.48Å; Y1629-P1642 HydrophobicContact CE1-CG 3.91Å; I1632-P1642 HydrophobicContact CD1-CB 3.82Å; I1632-P1642 HydrophobicContact CD1-CG 3.96Å; P1642-Y1656 HydrophobicContact CB-CD2 3.95Å; P1642-Y1656 HydrophobicContact CB-CG 4.42Å; P1642-G1657 CarbonylContact C-O 3.58Å; P1642-G1657 WeakPolarHBondContact CA-O 3.32Å; P1642-A2507 HydrophobicContact CB-CB 3.82Å; P1642-A2507 HydrophobicContact CG-CB 3.96Å; P1642-C2517 HydrophobicContact CG-CB 3.97Å; P1642-V2519 HydrophobicContact CB-CG2 4.12Å; P1642-V2519 HydrophobicContact CG-CG2 3.95Å |
| 1643 | T | 74.6 | Confident | 63.9 | Low | 14.4 Ų | 14.4 | 49.9 Ų | 49.9 | 9% | 0.088 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -20 | -175.1 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | V1641 G1657 T1658 R1659 S1683 V1684 | V1641-T1643 HydrophobicContact CG1-CG2 4.46Å; V1641-T1643 PolarHBondContact O-N 3.24Å; T1643-G1657 PolarHBondContact N-O 3.14Å; T1643-G1657 PolarHBondContact OG1-O 3.1Å; T1643-T1658 VanDerWaalsContact OG1-C 3.3Å; T1643-T1658 PolarHBondContact OG1-O 2.81Å; T1643-R1659 HydrophobicContact CG2-CB 4.07Å; T1643-S1683 WeakPolarHBondContact CB-OG 3.47Å; T1643-S1683 WeakPolarHBondContact CG2-OG 3.39Å; T1643-S1683 PolarHBondContact OG1-OG 2.99Å; T1643-V1684 WeakPolarHBondContact CB-O 3.34Å; T1643-V1684 PolarHBondContact OG1-O 2.99Å |
| 1644 | S | 77.5 | Confident | 65.6 | Low | 2.4 Ų | 2.4 | 47.7 Ų | 47.7 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 149.4 | 174.3 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | Y1656 G1657 V1684 | S1644-Y1656 CarbonylContact O-C 3.49Å; S1644-Y1656 VanDerWaalsContact O-CA 3.26Å; S1644-Y1656 WeakPolarHBondContact O-CA 3.36Å; S1644-Y1656 WeakPolarHBondContact O-CB 3.4Å; S1644-G1657 PolarHBondContact N-O 3.18Å; S1644-G1657 PolarHBondContact O-N 3.02Å; S1644-G1657 WeakPolarHBondContact OG-CA 3.37Å; S1644-V1684 WeakPolarHBondContact CB-O 3.42Å; S1644-V1684 WeakPolarHBondContact OG-CG1 3Å; S1644-V1684 PolarHBondContact OG-O 3.01Å |
| 1645 | V | 81.3 | Confident | 67.4 | Low | 32.6 Ų | 32.6 | 46.1 Ų | 46.1 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.8 | 177.8 | 140.7 | 0 | 0 | 0 | 0 | 108.8 | L1654 V1655 I1954 A2489 T2491 A2505 A2507 | V1645-L1654 HydrophobicContact CG1-CD1 3.57Å; V1645-L1654 VanDerWaalsContact CG1-CD1 3.46Å; V1645-L1654 HydrophobicContact CG1-CG 4.35Å; V1645-L1654 HydrophobicContact CG2-CD1 3.59Å; V1645-L1654 HydrophobicContact CG2-CD2 4.41Å; V1645-L1654 HydrophobicContact CG2-CG 4.16Å; V1645-V1655 CarbonylContact C-O 3.49Å; V1645-V1655 VanDerWaalsContact CA-O 3.31Å; V1645-V1655 WeakPolarHBondContact CA-O 3.33Å; V1645-I1954 HydrophobicContact CG2-CD1 4.36Å; V1645-A2489 HydrophobicContact CB-CB 4.45Å; V1645-A2489 HydrophobicContact CG1-CB 3.77Å; V1645-T2491 HydrophobicContact CG1-CG2 4.13Å; V1645-T2491 HydrophobicContact CG2-CG2 4.3Å; V1645-A2505 HydrophobicContact CG2-CB 4.18Å; V1645-A2507 HydrophobicContact CB-CB 4.06Å; V1645-A2507 HydrophobicContact CG1-CB 4.22Å |
| 1646 | E | 81.1 | Confident | 69.2 | Low | 32 Ų | 32 | 41.6 Ų | 41.6 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.1 | 172.1 | -163 | 136.1 | 166.5 | 0 | 0 | 110.9 | V1655 L1687 C1688 F1689 K1935 T2491 | E1646-V1655 PolarHBondContact N-O 3.32Å; E1646-V1655 PolarHBondContact O-N 3.16Å; E1646-V1655 VanDerWaalsContact O-O 3.08Å; E1646-L1687 HydrophobicContact CB-CB 3.93Å; E1646-L1687 VanDerWaalsContact OE2-C 3.29Å; E1646-L1687 VanDerWaalsContact OE2-O 3.11Å; E1646-C1688 VanDerWaalsContact CD-CA 3.45Å; E1646-C1688 VanDerWaalsContact OE1-CA 3.29Å; E1646-C1688 WeakPolarHBondContact OE1-CA 3.3Å; E1646-C1688 WeakPolarHBondContact OE2-CA 3.42Å; E1646-C1688 PolarHBondContact OE2-N 3.22Å; E1646-F1689 HydrophobicContact CB-CD2 4.38Å; E1646-F1689 HydrophobicContact CB-CE2 4.39Å; E1646-F1689 VanDerWaalsContact CD-N 3.26Å; E1646-F1689 HydrophobicContact CG-CD2 3.83Å; E1646-F1689 HydrophobicContact CG-CE2 4.14Å; E1646-F1689 PolarHBondContact OE1-N 3.16Å; E1646-F1689 PolarHBondContact OE2-N 2.99Å; E1646-K1935 IonicContact OE1-NZ 3.71Å; E1646-K1935 PolarHBondContact OE1-NZ 2.75Å; E1646-T2491 WeakPolarHBondContact OE2-CB 3.4Å; E1646-T2491 PolarHBondContact OE2-OG1 3.19Å |
| 1647 | M | 78.8 | Confident | 71 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.7 | -175.1 | -178.5 | 178.1 | 60.9 | 0 | 0 | 110.7 | A1651 L1654 L1668 F1942 T2491 A2493 I2503 L2521 | M1647-A1651 HydrophobicContact CE-CB 3.79Å; M1647-A1651 HydrophobicContact CG-CB 4.47Å; M1647-A1651 HydrophobicContact SD-CB 3.87Å; M1647-L1654 HydrophobicContact CB-CD1 4.22Å; M1647-L1654 HydrophobicContact CG-CD1 4.46Å; M1647-L1668 HydrophobicContact CG-CD1 3.72Å; M1647-L1668 VanDerWaalsContact CG-CD1 3.5Å; M1647-L1668 HydrophobicContact CG-CD2 3.98Å; M1647-L1668 HydrophobicContact CG-CG 4.45Å; M1647-L1668 HydrophobicContact SD-CD1 3.72Å; M1647-L1668 WeakPolarHBondContact SD-CD1 3.31Å; M1647-L1668 HydrophobicContact SD-CD2 4.03Å; M1647-L1668 VanDerWaalsContact SD-CD2 3.53Å; M1647-L1668 HydrophobicContact SD-CG 4.4Å; M1647-F1942 HydrophobicContact CE-CE2 4.14Å; M1647-F1942 HydrophobicContact SD-CE2 4.21Å; M1647-F1942 HydrophobicContact SD-CZ 4.35Å; M1647-T2491 HydrophobicContact CB-CG2 3.72Å; M1647-A2493 HydrophobicContact CE-CB 3.44Å; M1647-A2493 VanDerWaalsContact CE-CB 3.44Å; M1647-A2493 HydrophobicContact CG-CB 4.46Å; M1647-I2503 HydrophobicContact CE-CB 4.12Å; M1647-I2503 HydrophobicContact CE-CG2 3.95Å; M1647-I2503 WeakPolarHBondContact CE-O 3.47Å; M1647-I2503 HydrophobicContact SD-CG2 4Å; M1647-L2521 HydrophobicContact SD-CD2 4.34Å |
| 1648 | N | 77.5 | Confident | 72.7 | Confident | 5.2 Ų | 5.2 | 32.8 Ų | 32.8 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.7 | 171.4 | 150.5 | -35.4 | 0 | 0 | 0 | 110.8 | A1650 A1651 K1652 V1653 F1689 E1691 L1710 | N1648-A1650 PolarHBondContact O-N 3.19Å; N1648-A1650 WeakPolarHBondContact OD1-CA 3.35Å; N1648-A1650 WeakPolarHBondContact OD1-CB 3.43Å; N1648-A1650 PolarHBondContact OD1-N 3.2Å; N1648-A1651 HydrophobicContact CB-CB 4.16Å; N1648-A1651 PolarHBondContact O-N 3.26Å; N1648-A1651 WeakPolarHBondContact OD1-CA 3.32Å; N1648-A1651 WeakPolarHBondContact OD1-CB 3.45Å; N1648-A1651 PolarHBondContact OD1-N 3.13Å; N1648-A1651 VanDerWaalsContact OD1-N 3.13Å; N1648-K1652 WeakPolarHBondContact O-CA 3.14Å; N1648-K1652 PolarHBondContact O-N 3.13Å; N1648-K1652 VanDerWaalsContact O-N 3.11Å; N1648-K1652 PolarHBondContact OD1-N 3.02Å; N1648-V1653 PolarHBondContact N-O 2.99Å; N1648-V1653 VanDerWaalsContact N-O 3.14Å; N1648-V1653 PolarHBondContact O-N 3.1Å; N1648-V1653 VanDerWaalsContact O-N 3.1Å; N1648-V1653 PolarHBondContact OD1-N 3.26Å; N1648-V1653 PolarHBondContact OD1-O 2.9Å; N1648-F1689 HydrophobicContact CB-CD1 4.39Å; N1648-F1689 HydrophobicContact CB-CD2 4.06Å; N1648-F1689 HydrophobicContact CB-CE1 4.28Å; N1648-F1689 HydrophobicContact CB-CE2 3.85Å; N1648-F1689 HydrophobicContact CB-CG 4.26Å; N1648-F1689 HydrophobicContact CB-CZ 4.03Å; N1648-F1689 VanDerWaalsContact N-CE2 3.31Å; N1648-E1691 WeakPolarHBondContact CA-OE1 3.49Å; N1648-E1691 VanDerWaalsContact CB-OE1 3.27Å; N1648-E1691 WeakPolarHBondContact CB-OE1 3.05Å; N1648-E1691 VanDerWaalsContact CG-OE1 3.27Å; N1648-E1691 PolarHBondContact ND2-OE1 2.99Å; N1648-E1691 PolarHBondContact OD1-OE1 3.08Å; N1648-L1710 HydrophobicContact CB-CD1 4.45Å; N1648-L1710 VanDerWaalsContact ND2-CD1 3.27Å; N1648-L1710 WeakPolarHBondContact ND2-CD1 3.34Å |
| 1649 | S | 68.9 | Low | 74 | Confident | 61.6 Ų | 61.6 | 35.9 Ų | 35.9 | 43% | 0.431 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.4 | 179.9 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | A1651 K1652 E1691 C2494 | S1649-A1651 PolarHBondContact O-N 3.48Å; S1649-K1652 PolarHBondContact O-N 3.16Å; S1649-E1691 VanDerWaalsContact CB-CD 3.48Å; S1649-E1691 WeakPolarHBondContact CB-OE1 3.49Å; S1649-E1691 VanDerWaalsContact CB-OE2 3.23Å; S1649-E1691 WeakPolarHBondContact CB-OE2 3.21Å; S1649-E1691 PolarHBondContact N-OE1 3.14Å; S1649-E1691 PolarHBondContact N-OE2 2.69Å; S1649-E1691 VanDerWaalsContact OG-CD 3.28Å; S1649-E1691 PolarHBondContact OG-OE1 3.32Å; S1649-E1691 PolarHBondContact OG-OE2 3.38Å; S1649-C2494 WeakPolarHBondContact CB-O 3.43Å; S1649-C2494 PolarHBondContact OG-O 2.98Å |
| 1650 | A | 68.7 | Low | 75 | Confident | 73 Ų | 73 | 32.7 Ų | 32.7 | 60% | 0.603 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -30.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | N1648 K1652 | N1648-A1650 PolarHBondContact O-N 3.19Å; N1648-A1650 WeakPolarHBondContact OD1-CA 3.35Å; N1648-A1650 WeakPolarHBondContact OD1-CB 3.43Å; N1648-A1650 PolarHBondContact OD1-N 3.2Å; A1650-K1652 VanDerWaalsContact C-N 3.29Å; A1650-K1652 HydrophobicContact CB-CD 4.45Å; A1650-K1652 HydrophobicContact CB-CG 4.23Å; A1650-K1652 PolarHBondContact O-N 2.99Å |
| 1651 | A | 66.8 | Low | 75.7 | Confident | 27.6 Ų | 27.6 | 31.6 Ų | 31.6 | 23% | 0.228 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -35.2 | 5.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1647 N1648 S1649 V1653 L1668 L1710 T1730 | M1647-A1651 HydrophobicContact CE-CB 3.79Å; M1647-A1651 HydrophobicContact CG-CB 4.47Å; M1647-A1651 HydrophobicContact SD-CB 3.87Å; N1648-A1651 HydrophobicContact CB-CB 4.16Å; N1648-A1651 PolarHBondContact O-N 3.26Å; N1648-A1651 WeakPolarHBondContact OD1-CA 3.32Å; N1648-A1651 WeakPolarHBondContact OD1-CB 3.45Å; N1648-A1651 PolarHBondContact OD1-N 3.13Å; N1648-A1651 VanDerWaalsContact OD1-N 3.13Å; S1649-A1651 PolarHBondContact O-N 3.48Å; A1651-V1653 VanDerWaalsContact C-N 3.32Å; A1651-V1653 HydrophobicContact CB-CB 4.42Å; A1651-V1653 HydrophobicContact CB-CG2 4.15Å; A1651-V1653 WeakPolarHBondContact O-CG2 3.39Å; A1651-V1653 PolarHBondContact O-N 2.75Å; A1651-L1668 VanDerWaalsContact O-CD1 3.25Å; A1651-L1668 WeakPolarHBondContact O-CD1 3.35Å; A1651-L1710 HydrophobicContact CB-CD2 4.13Å; A1651-T1730 HydrophobicContact CB-CG2 4.1Å |
| 1652 | K | 73.2 | Confident | 76.4 | Confident | 108 Ų | 108 | 30.8 Ų | 30.8 | 47% | 0.47 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 24.7 | 14.4 | -175.3 | -62.7 | -180 | -177.4 | 173.9 | 0 | 113.1 | N1648 S1649 A1650 E1667 L1668 E1734 | N1648-K1652 WeakPolarHBondContact O-CA 3.14Å; N1648-K1652 PolarHBondContact O-N 3.13Å; N1648-K1652 VanDerWaalsContact O-N 3.11Å; N1648-K1652 PolarHBondContact OD1-N 3.02Å; S1649-K1652 PolarHBondContact O-N 3.16Å; A1650-K1652 VanDerWaalsContact C-N 3.29Å; A1650-K1652 HydrophobicContact CB-CD 4.45Å; A1650-K1652 HydrophobicContact CB-CG 4.23Å; A1650-K1652 PolarHBondContact O-N 2.99Å; K1652-E1667 CarbonylContact O-C 3.43Å; K1652-E1667 WeakPolarHBondContact O-CA 3.15Å; K1652-L1668 VanDerWaalsContact C-CB 3.5Å; K1652-L1668 VanDerWaalsContact C-CD1 3.45Å; K1652-L1668 HydrophobicContact CB-CB 4.43Å; K1652-L1668 WeakPolarHBondContact O-CB 3.39Å; K1652-L1668 PolarHBondContact O-N 3.07Å; K1652-E1734 IonicContact NZ-OE1 3.28Å; K1652-E1734 PolarHBondContact NZ-OE1 3.32Å |
| 1653 | V | 77 | Confident | 77.1 | Confident | 1.4 Ų | 1.4 | 29.6 Ų | 29.6 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.8 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | N1648 A1651 V1655 F1665 V1666 L1674 V1729 V1733 | N1648-V1653 PolarHBondContact N-O 2.99Å; N1648-V1653 VanDerWaalsContact N-O 3.14Å; N1648-V1653 PolarHBondContact O-N 3.1Å; N1648-V1653 VanDerWaalsContact O-N 3.1Å; N1648-V1653 PolarHBondContact OD1-N 3.26Å; N1648-V1653 PolarHBondContact OD1-O 2.9Å; A1651-V1653 VanDerWaalsContact C-N 3.32Å; A1651-V1653 HydrophobicContact CB-CB 4.42Å; A1651-V1653 HydrophobicContact CB-CG2 4.15Å; A1651-V1653 WeakPolarHBondContact O-CG2 3.39Å; A1651-V1653 PolarHBondContact O-N 2.75Å; V1653-V1655 HydrophobicContact CG1-CG2 4.13Å; V1653-F1665 HydrophobicContact CG1-CB 4.34Å; V1653-F1665 HydrophobicContact CG1-CD1 3.95Å; V1653-V1666 CarbonylContact C-O 3.55Å; V1653-V1666 WeakPolarHBondContact CA-O 3.27Å; V1653-V1666 WeakPolarHBondContact CG1-O 3.24Å; V1653-L1674 HydrophobicContact CG1-CD1 4.3Å; V1653-L1674 HydrophobicContact CG2-CD1 4.32Å; V1653-V1729 HydrophobicContact CG1-CG1 4.42Å; V1653-V1729 HydrophobicContact CG2-CG1 4.17Å; V1653-V1733 HydrophobicContact CG2-CG2 4.35Å |
| 1654 | L | 79.5 | Confident | 77.4 | Confident | 21.4 Ų | 21.4 | 29 Ų | 29 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.7 | 169.1 | -178.3 | 73.1 | 0 | 0 | 0 | 108.3 | V1645 M1647 F1665 V1666 L1668 L1671 I1954 A2505 V2519 L2521 | V1645-L1654 HydrophobicContact CG1-CD1 3.57Å; V1645-L1654 VanDerWaalsContact CG1-CD1 3.46Å; V1645-L1654 HydrophobicContact CG1-CG 4.35Å; V1645-L1654 HydrophobicContact CG2-CD1 3.59Å; V1645-L1654 HydrophobicContact CG2-CD2 4.41Å; V1645-L1654 HydrophobicContact CG2-CG 4.16Å; M1647-L1654 HydrophobicContact CB-CD1 4.22Å; M1647-L1654 HydrophobicContact CG-CD1 4.46Å; L1654-F1665 CarbonylContact O-C 3.51Å; L1654-V1666 HydrophobicContact CB-CB 4.32Å; L1654-V1666 PolarHBondContact N-O 3.1Å; L1654-V1666 PolarHBondContact O-N 3.11Å; L1654-L1668 HydrophobicContact CB-CD1 4.31Å; L1654-L1668 HydrophobicContact CB-CD2 4.05Å; L1654-L1668 HydrophobicContact CB-CG 4.13Å; L1654-L1671 HydrophobicContact CD2-CD2 4.43Å; L1654-I1954 HydrophobicContact CD2-CD1 3.96Å; L1654-A2505 HydrophobicContact CD1-CB 3.48Å; L1654-A2505 VanDerWaalsContact CD1-CB 3.48Å; L1654-V2519 HydrophobicContact CD2-CG1 3.77Å; L1654-L2521 HydrophobicContact CD2-CD2 4.3Å |
| 1655 | V | 82.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.9 | 174.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | V1645 E1646 V1653 I1663 T1664 F1665 L1687 F1689 L1712 | V1645-V1655 CarbonylContact C-O 3.49Å; V1645-V1655 VanDerWaalsContact CA-O 3.31Å; V1645-V1655 WeakPolarHBondContact CA-O 3.33Å; E1646-V1655 PolarHBondContact N-O 3.32Å; E1646-V1655 PolarHBondContact O-N 3.16Å; E1646-V1655 VanDerWaalsContact O-O 3.08Å; V1653-V1655 HydrophobicContact CG1-CG2 4.13Å; V1655-I1663 HydrophobicContact CG1-CG2 3.43Å; V1655-I1663 VanDerWaalsContact CG1-CG2 3.44Å; V1655-T1664 CarbonylContact C-O 3.57Å; V1655-T1664 VanDerWaalsContact CA-O 3.28Å; V1655-T1664 WeakPolarHBondContact CA-O 3.33Å; V1655-T1664 WeakPolarHBondContact CG1-O 3.25Å; V1655-F1665 HydrophobicContact CG1-CE1 4.4Å; V1655-F1665 HydrophobicContact CG1-CE2 4.44Å; V1655-F1665 HydrophobicContact CG1-CZ 4.4Å; V1655-F1665 HydrophobicContact CG2-CB 4.46Å; V1655-F1665 HydrophobicContact CG2-CD1 3.36Å; V1655-F1665 VanDerWaalsContact CG2-CD1 3.46Å; V1655-F1665 HydrophobicContact CG2-CE1 3.55Å; V1655-F1665 VanDerWaalsContact CG2-CE1 3.45Å; V1655-F1665 HydrophobicContact CG2-CG 3.96Å; V1655-F1665 HydrophobicContact CG2-CZ 4.29Å; V1655-L1687 HydrophobicContact CB-CD1 4.36Å; V1655-L1687 HydrophobicContact CG1-CD1 3.85Å; V1655-L1687 HydrophobicContact CG1-CD2 4.43Å; V1655-F1689 HydrophobicContact CB-CE2 4.46Å; V1655-F1689 HydrophobicContact CB-CZ 4.32Å; V1655-F1689 HydrophobicContact CG2-CE1 4.38Å; V1655-F1689 HydrophobicContact CG2-CE2 4.12Å; V1655-F1689 HydrophobicContact CG2-CZ 3.48Å; V1655-F1689 VanDerWaalsContact CG2-CZ 3.44Å; V1655-L1712 HydrophobicContact CG1-CD1 4.46Å; V1655-L1712 HydrophobicContact CG1-CD2 3.87Å; V1655-L1712 HydrophobicContact CG2-CD2 4.49Å |
| 1656 | Y | 81.9 | Confident | 77.4 | Confident | 26.6 Ų | 26.6 | 27.8 Ų | 27.8 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.6 | 171.7 | 68 | -93.8 | 0 | 0 | 0 | 111.5 | Y1629 I1632 P1642 S1644 T1658 I1663 T1664 V1666 E1673 V2519 | Y1629-Y1656 HydrophobicContact CD2-CE1 4.27Å; Y1629-Y1656 AromaticContact CD2-CE2 3.73Å; Y1629-Y1656 HydrophobicContact CD2-CE2 3.73Å; Y1629-Y1656 AromaticContact CD2-CZ 3.7Å; Y1629-Y1656 HydrophobicContact CE1-CE2 4.41Å; Y1629-Y1656 HydrophobicContact CE2-CD2 4.48Å; Y1629-Y1656 AromaticContact CE2-CE1 3.9Å; Y1629-Y1656 HydrophobicContact CE2-CE1 3.9Å; Y1629-Y1656 AromaticContact CE2-CE2 3.51Å; Y1629-Y1656 HydrophobicContact CE2-CE2 3.51Å; Y1629-Y1656 AromaticContact CE2-CZ 3.4Å; Y1629-Y1656 WeakPolarHBondContact CE2-OH 3.41Å; Y1629-Y1656 AromaticContact CZ-CE2 3.48Å; Y1629-Y1656 VanDerWaalsContact CZ-CE2 3.48Å; Y1629-Y1656 AromaticContact CZ-CZ 3.61Å; Y1629-Y1656 WeakPolarHBondContact OH-CE2 3.43Å; I1632-Y1656 HydrophobicContact CD1-CD2 3.98Å; I1632-Y1656 HydrophobicContact CD1-CE1 4.46Å; I1632-Y1656 HydrophobicContact CD1-CE2 3.68Å; I1632-Y1656 HydrophobicContact CG1-CE2 4.19Å; I1632-Y1656 HydrophobicContact CG2-CE2 3.98Å; P1642-Y1656 HydrophobicContact CB-CD2 3.95Å; P1642-Y1656 HydrophobicContact CB-CG 4.42Å; S1644-Y1656 CarbonylContact O-C 3.49Å; S1644-Y1656 VanDerWaalsContact O-CA 3.26Å; S1644-Y1656 WeakPolarHBondContact O-CA 3.36Å; S1644-Y1656 WeakPolarHBondContact O-CB 3.4Å; Y1656-T1658 HydrophobicContact CD2-CG2 3.82Å; Y1656-T1658 HydrophobicContact CE2-CG2 3.72Å; Y1656-I1663 CarbonylContact O-C 3.49Å; Y1656-I1663 WeakPolarHBondContact O-CA 3.39Å; Y1656-T1664 WeakPolarHBondContact CD1-OG1 3.29Å; Y1656-T1664 VanDerWaalsContact CD2-OG1 3.22Å; Y1656-T1664 WeakPolarHBondContact CD2-OG1 3.26Å; Y1656-T1664 HydrophobicContact CE1-CG2 4.16Å; Y1656-T1664 WeakPolarHBondContact CE1-OG1 3.41Å; Y1656-T1664 HydrophobicContact CE2-CG2 4.18Å; Y1656-T1664 WeakPolarHBondContact CE2-OG1 3.45Å; Y1656-T1664 VanDerWaalsContact CG-OG1 3.26Å; Y1656-T1664 VanDerWaalsContact CZ-CB 3.44Å; Y1656-T1664 PolarHBondContact N-O 3.09Å; Y1656-T1664 PolarHBondContact O-N 3Å; Y1656-T1664 PolarHBondContact O-OG1 3.13Å; Y1656-T1664 VanDerWaalsContact O-OG1 3.07Å; Y1656-T1664 WeakPolarHBondContact OH-CG2 3.26Å; Y1656-T1664 PolarHBondContact OH-OG1 2.98Å; Y1656-V1666 HydrophobicContact CD1-CG2 4.12Å; Y1656-V1666 HydrophobicContact CE1-CG2 3.64Å; Y1656-E1673 PolarHBondContact OH-OE1 2.81Å; Y1656-V2519 HydrophobicContact CD1-CG2 4.29Å; Y1656-V2519 HydrophobicContact CD2-CG2 4.43Å; Y1656-V2519 HydrophobicContact CG-CG2 4.22Å |
| 1657 | G | 80.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1642 T1643 S1644 T1662 L1687 | P1642-G1657 CarbonylContact C-O 3.58Å; P1642-G1657 WeakPolarHBondContact CA-O 3.32Å; T1643-G1657 PolarHBondContact N-O 3.14Å; T1643-G1657 PolarHBondContact OG1-O 3.1Å; S1644-G1657 PolarHBondContact N-O 3.18Å; S1644-G1657 PolarHBondContact O-N 3.02Å; S1644-G1657 WeakPolarHBondContact OG-CA 3.37Å; G1657-T1662 CarbonylContact C-O 3.35Å; G1657-T1662 VanDerWaalsContact CA-O 3.28Å; G1657-T1662 WeakPolarHBondContact CA-O 3.38Å; G1657-L1687 VanDerWaalsContact N-CD1 3.33Å |
| 1658 | T | 78.6 | Confident | 76.7 | Confident | 1.6 Ų | 1.6 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 165.6 | -174.4 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | I1632 D1640 V1641 T1643 Y1656 C1660 G1661 T1662 S1683 V1684 | I1632-T1658 HydrophobicContact CG2-CG2 4.23Å; D1640-T1658 VanDerWaalsContact CG-CB 3.45Å; D1640-T1658 VanDerWaalsContact CG-OG1 3.32Å; D1640-T1658 VanDerWaalsContact OD1-CB 3.26Å; D1640-T1658 WeakPolarHBondContact OD1-CB 3.32Å; D1640-T1658 PolarHBondContact OD1-OG1 3.18Å; D1640-T1658 VanDerWaalsContact OD1-OG1 3.09Å; D1640-T1658 WeakPolarHBondContact OD2-CB 3.31Å; D1640-T1658 WeakPolarHBondContact OD2-CG2 3.32Å; D1640-T1658 PolarHBondContact OD2-OG1 3.07Å; V1641-T1658 CarbonylContact O-C 3.54Å; V1641-T1658 WeakPolarHBondContact O-CA 3.39Å; T1643-T1658 VanDerWaalsContact OG1-C 3.3Å; T1643-T1658 PolarHBondContact OG1-O 2.81Å; Y1656-T1658 HydrophobicContact CD2-CG2 3.82Å; Y1656-T1658 HydrophobicContact CE2-CG2 3.72Å; T1658-C1660 VanDerWaalsContact C-N 3.28Å; T1658-C1660 PolarHBondContact O-N 3.06Å; T1658-C1660 PolarHBondContact OG1-N 2.72Å; T1658-G1661 PolarHBondContact O-N 3Å; T1658-G1661 VanDerWaalsContact O-N 3.11Å; T1658-T1662 VanDerWaalsContact CG2-OG1 3.25Å; T1658-T1662 WeakPolarHBondContact CG2-OG1 3.35Å; T1658-T1662 PolarHBondContact N-O 3.06Å; T1658-T1662 PolarHBondContact OG1-N 3.05Å; T1658-T1662 VanDerWaalsContact OG1-N 3.15Å; T1658-T1662 PolarHBondContact OG1-O 2.96Å; T1658-T1662 PolarHBondContact OG1-OG1 3.03Å; T1658-S1683 WeakPolarHBondContact O-CA 3.39Å; T1658-V1684 PolarHBondContact O-N 2.87Å; T1658-V1684 VanDerWaalsContact O-N 3.12Å |
| 1659 | R | 74.8 | Confident | 76.2 | Confident | 116.8 Ų | 116.8 | 32.6 Ų | 32.6 | 44% | 0.441 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.1 | 177 | -170.6 | 174.3 | 178.4 | 176 | -1.7 | 112.7 | D1640 V1641 T1643 G1661 S1683 D2514 | D1640-R1659 WeakPolarHBondContact OD1-CA 3.31Å; D1640-R1659 WeakPolarHBondContact OD1-CB 3.31Å; D1640-R1659 PolarHBondContact OD1-N 3.06Å; D1640-R1659 VanDerWaalsContact OD1-N 3.1Å; V1641-R1659 HydrophobicContact CB-CB 4.42Å; V1641-R1659 PolarHBondContact O-N 2.99Å; T1643-R1659 HydrophobicContact CG2-CB 4.07Å; R1659-G1661 VanDerWaalsContact C-N 3.27Å; R1659-G1661 PolarHBondContact O-N 3.1Å; R1659-S1683 WeakPolarHBondContact CA-OG 3.4Å; R1659-S1683 VanDerWaalsContact O-CA 3.3Å; R1659-S1683 WeakPolarHBondContact O-CA 3.39Å; R1659-S1683 WeakPolarHBondContact O-CB 3.28Å; R1659-S1683 PolarHBondContact O-N 3.06Å; R1659-D2514 VanDerWaalsContact NH1-CG 3.34Å; R1659-D2514 IonicContact NH1-OD1 3.37Å; R1659-D2514 PolarHBondContact NH1-OD1 3.45Å; R1659-D2514 IonicContact NH1-OD2 2.82Å; R1659-D2514 PolarHBondContact NH1-OD2 3.45Å |
| 1660 | C | 72.7 | Confident | 76 | Confident | 42.6 Ų | 42.6 | 33.4 Ų | 33.4 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.5 | 175.9 | -27.8 | 0 | 0 | 0 | 0 | 114.6 | I1632 T1634 D1640 T1658 T1662 | I1632-C1660 HydrophobicContact CB-CB 4.37Å; I1632-C1660 PolarHBondContact N-O 2.83Å; I1632-C1660 VanDerWaalsContact O-CB 3.27Å; I1632-C1660 WeakPolarHBondContact O-CB 3.37Å; T1634-C1660 HydrophobicContact CG2-CB 4.45Å; T1634-C1660 WeakPolarHBondContact CG2-SG 3.47Å; D1640-C1660 VanDerWaalsContact CG-SG 3.52Å; D1640-C1660 WeakPolarHBondContact OD1-CB 3.39Å; D1640-C1660 PolarHBondContact OD1-N 3.24Å; D1640-C1660 VanDerWaalsContact OD1-N 3.07Å; D1640-C1660 PolarHBondContact OD1-SG 3.37Å; D1640-C1660 VanDerWaalsContact OD2-CB 3.3Å; D1640-C1660 WeakPolarHBondContact OD2-CB 3.32Å; D1640-C1660 PolarHBondContact OD2-N 3.02Å; D1640-C1660 PolarHBondContact OD2-SG 2.82Å; T1658-C1660 VanDerWaalsContact C-N 3.28Å; T1658-C1660 PolarHBondContact O-N 3.06Å; T1658-C1660 PolarHBondContact OG1-N 2.72Å; C1660-T1662 VanDerWaalsContact C-N 3.35Å; C1660-T1662 HydrophobicContact CB-CG2 4.47Å; C1660-T1662 WeakPolarHBondContact SG-CG2 3.36Å |
| 1661 | G | 77.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 87.9 | 11.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1658 R1659 S1682 | T1658-G1661 PolarHBondContact O-N 3Å; T1658-G1661 VanDerWaalsContact O-N 3.11Å; R1659-G1661 VanDerWaalsContact C-N 3.27Å; R1659-G1661 PolarHBondContact O-N 3.1Å; G1661-S1682 WeakPolarHBondContact CA-O 3.33Å; G1661-S1682 PolarHBondContact N-O 2.99Å |
| 1662 | T | 81.1 | Confident | 75.8 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 144.4 | 175.7 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | G1657 T1658 C1660 L1677 T1678 | G1657-T1662 CarbonylContact C-O 3.35Å; G1657-T1662 VanDerWaalsContact CA-O 3.28Å; G1657-T1662 WeakPolarHBondContact CA-O 3.38Å; T1658-T1662 VanDerWaalsContact CG2-OG1 3.25Å; T1658-T1662 WeakPolarHBondContact CG2-OG1 3.35Å; T1658-T1662 PolarHBondContact N-O 3.06Å; T1658-T1662 PolarHBondContact OG1-N 3.05Å; T1658-T1662 VanDerWaalsContact OG1-N 3.15Å; T1658-T1662 PolarHBondContact OG1-O 2.96Å; T1658-T1662 PolarHBondContact OG1-OG1 3.03Å; C1660-T1662 VanDerWaalsContact C-N 3.35Å; C1660-T1662 HydrophobicContact CB-CG2 4.47Å; C1660-T1662 WeakPolarHBondContact SG-CG2 3.36Å; T1662-L1677 CarbonylContact C-O 3.56Å; T1662-L1677 VanDerWaalsContact CA-O 3.32Å; T1662-L1677 WeakPolarHBondContact CA-O 3.29Å; T1662-T1678 HydrophobicContact CG2-CG2 4.04Å |
| 1663 | I | 84.6 | Confident | 75.6 | Confident | 0.8 Ų | 0.8 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.9 | 174.9 | -55.9 | 163.8 | 0 | 0 | 0 | 107.6 | V1655 Y1656 F1665 S1676 L1677 V1684 L1687 L1712 S1714 W1724 | V1655-I1663 HydrophobicContact CG1-CG2 3.43Å; V1655-I1663 VanDerWaalsContact CG1-CG2 3.44Å; Y1656-I1663 CarbonylContact O-C 3.49Å; Y1656-I1663 WeakPolarHBondContact O-CA 3.39Å; I1663-F1665 HydrophobicContact CG2-CE2 4.19Å; I1663-S1676 CarbonylContact O-C 3.34Å; I1663-S1676 VanDerWaalsContact O-CA 3.31Å; I1663-S1676 WeakPolarHBondContact O-CA 3.43Å; I1663-L1677 HydrophobicContact CB-CB 4.25Å; I1663-L1677 HydrophobicContact CB-CD1 4.46Å; I1663-L1677 PolarHBondContact N-O 2.99Å; I1663-L1677 PolarHBondContact O-N 2.89Å; I1663-V1684 HydrophobicContact CG1-CG1 4.4Å; I1663-V1684 HydrophobicContact CG1-CG2 4Å; I1663-L1687 HydrophobicContact CD1-CD2 4.4Å; I1663-L1687 HydrophobicContact CG1-CD2 4.34Å; I1663-L1687 HydrophobicContact CG2-CD1 4.45Å; I1663-L1687 HydrophobicContact CG2-CD2 4.05Å; I1663-L1712 HydrophobicContact CG2-CD2 3.93Å; I1663-S1714 VanDerWaalsContact CD1-CB 3.44Å; I1663-S1714 VanDerWaalsContact CD1-OG 3.28Å; I1663-S1714 WeakPolarHBondContact CD1-OG 3.33Å; I1663-W1724 HydrophobicContact CD1-CZ2 4.27Å |
| 1664 | T | 81.2 | Confident | 75.4 | Confident | 3.2 Ų | 3.2 | 39.8 Ų | 39.8 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133 | -171.9 | 37.3 | 0 | 0 | 0 | 0 | 110.7 | V1655 Y1656 V1666 E1673 W1675 S1676 | V1655-T1664 CarbonylContact C-O 3.57Å; V1655-T1664 VanDerWaalsContact CA-O 3.28Å; V1655-T1664 WeakPolarHBondContact CA-O 3.33Å; V1655-T1664 WeakPolarHBondContact CG1-O 3.25Å; Y1656-T1664 WeakPolarHBondContact CD1-OG1 3.29Å; Y1656-T1664 VanDerWaalsContact CD2-OG1 3.22Å; Y1656-T1664 WeakPolarHBondContact CD2-OG1 3.26Å; Y1656-T1664 HydrophobicContact CE1-CG2 4.16Å; Y1656-T1664 WeakPolarHBondContact CE1-OG1 3.41Å; Y1656-T1664 HydrophobicContact CE2-CG2 4.18Å; Y1656-T1664 WeakPolarHBondContact CE2-OG1 3.45Å; Y1656-T1664 VanDerWaalsContact CG-OG1 3.26Å; Y1656-T1664 VanDerWaalsContact CZ-CB 3.44Å; Y1656-T1664 PolarHBondContact N-O 3.09Å; Y1656-T1664 PolarHBondContact O-N 3Å; Y1656-T1664 PolarHBondContact O-OG1 3.13Å; Y1656-T1664 VanDerWaalsContact O-OG1 3.07Å; Y1656-T1664 WeakPolarHBondContact OH-CG2 3.26Å; Y1656-T1664 PolarHBondContact OH-OG1 2.98Å; T1664-V1666 HydrophobicContact CG2-CG2 4.16Å; T1664-E1673 HydrophobicContact CG2-CG 3.58Å; T1664-W1675 CarbonylContact C-O 3.39Å; T1664-W1675 VanDerWaalsContact CA-O 3.3Å; T1664-W1675 WeakPolarHBondContact CA-O 3.39Å; T1664-S1676 VanDerWaalsContact CG2-OG 3.28Å; T1664-S1676 WeakPolarHBondContact CG2-OG 3.42Å; T1664-S1676 PolarHBondContact OG1-OG 2.93Å |
| 1665 | F | 81.8 | Confident | 75 | Confident | 0.6 Ų | 0.6 | 43.2 Ų | 43.2 | 0% | 0.003 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.4 | 177 | -67.2 | -104.4 | 0 | 0 | 0 | 109.1 | V1653 L1654 V1655 I1663 E1673 L1674 W1675 L1677 L1712 A1726 V1729 I1743 | V1653-F1665 HydrophobicContact CG1-CB 4.34Å; V1653-F1665 HydrophobicContact CG1-CD1 3.95Å; L1654-F1665 CarbonylContact O-C 3.51Å; V1655-F1665 HydrophobicContact CG1-CE1 4.4Å; V1655-F1665 HydrophobicContact CG1-CE2 4.44Å; V1655-F1665 HydrophobicContact CG1-CZ 4.4Å; V1655-F1665 HydrophobicContact CG2-CB 4.46Å; V1655-F1665 HydrophobicContact CG2-CD1 3.36Å; V1655-F1665 VanDerWaalsContact CG2-CD1 3.46Å; V1655-F1665 HydrophobicContact CG2-CE1 3.55Å; V1655-F1665 VanDerWaalsContact CG2-CE1 3.45Å; V1655-F1665 HydrophobicContact CG2-CG 3.96Å; V1655-F1665 HydrophobicContact CG2-CZ 4.29Å; I1663-F1665 HydrophobicContact CG2-CE2 4.19Å; F1665-E1673 CarbonylContact O-C 3.19Å; F1665-E1673 WeakPolarHBondContact O-CA 3.45Å; F1665-L1674 HydrophobicContact CB-CB 4.3Å; F1665-L1674 PolarHBondContact O-N 3.07Å; F1665-W1675 HydrophobicContact CB-CB 4.46Å; F1665-W1675 HydrophobicContact CD2-CB 4.36Å; F1665-W1675 PolarHBondContact N-O 3.08Å; F1665-W1675 PolarHBondContact O-N 3.13Å; F1665-L1677 HydrophobicContact CE2-CD1 3.6Å; F1665-L1677 VanDerWaalsContact CE2-CD1 3.48Å; F1665-L1677 HydrophobicContact CE2-CG 4.07Å; F1665-L1677 HydrophobicContact CZ-CD1 4.21Å; F1665-L1712 HydrophobicContact CE1-CD2 4.09Å; F1665-L1712 HydrophobicContact CE2-CD2 4.24Å; F1665-L1712 HydrophobicContact CZ-CB 4.48Å; F1665-L1712 HydrophobicContact CZ-CD2 3.49Å; F1665-L1712 VanDerWaalsContact CZ-CD2 3.49Å; F1665-A1726 HydrophobicContact CE1-CB 3.89Å; F1665-A1726 HydrophobicContact CZ-CB 4.17Å; F1665-V1729 HydrophobicContact CB-CG1 4.45Å; F1665-V1729 HydrophobicContact CD1-CG1 4.33Å; F1665-V1729 HydrophobicContact CD1-CG2 4.28Å; F1665-V1729 HydrophobicContact CE1-CG2 4.31Å; F1665-V1729 HydrophobicContact CG-CG1 4.46Å; F1665-I1743 HydrophobicContact CD2-CD1 4.07Å; F1665-I1743 HydrophobicContact CE2-CD1 4.2Å; F1665-I1743 HydrophobicContact CZ-CD1 4.11Å |
| 1666 | V | 76.8 | Confident | 74.6 | Confident | 8.6 Ų | 8.6 | 46.1 Ų | 46.1 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.2 | -176.9 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | V1653 L1654 Y1656 T1664 L1668 L1671 R1672 E1673 | V1653-V1666 CarbonylContact C-O 3.55Å; V1653-V1666 WeakPolarHBondContact CA-O 3.27Å; V1653-V1666 WeakPolarHBondContact CG1-O 3.24Å; L1654-V1666 HydrophobicContact CB-CB 4.32Å; L1654-V1666 PolarHBondContact N-O 3.1Å; L1654-V1666 PolarHBondContact O-N 3.11Å; Y1656-V1666 HydrophobicContact CD1-CG2 4.12Å; Y1656-V1666 HydrophobicContact CE1-CG2 3.64Å; T1664-V1666 HydrophobicContact CG2-CG2 4.16Å; V1666-L1668 PolarHBondContact O-N 3.02Å; V1666-L1671 VanDerWaalsContact CG1-C 3.47Å; V1666-L1671 HydrophobicContact CG1-CB 4.35Å; V1666-L1671 HydrophobicContact CG1-CD2 4.11Å; V1666-L1671 HydrophobicContact CG1-CG 4.49Å; V1666-R1672 CarbonylContact C-O 3.57Å; V1666-R1672 VanDerWaalsContact CA-O 3.27Å; V1666-R1672 WeakPolarHBondContact CA-O 3.32Å; V1666-E1673 HydrophobicContact CG2-CG 4.24Å |
| 1667 | E | 74.4 | Confident | 74.3 | Confident | 32.4 Ų | 32.4 | 45.6 Ų | 45.6 | 15% | 0.151 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125 | 172.7 | -167.8 | -166.6 | 166.5 | 0 | 0 | 110.1 | K1652 S1669 T1670 L1671 R1672 L1674 V1733 | K1652-E1667 CarbonylContact O-C 3.43Å; K1652-E1667 WeakPolarHBondContact O-CA 3.15Å; E1667-S1669 VanDerWaalsContact C-N 3.33Å; E1667-S1669 VanDerWaalsContact CD-OG 3.3Å; E1667-S1669 VanDerWaalsContact CG-OG 3.31Å; E1667-S1669 WeakPolarHBondContact CG-OG 3.4Å; E1667-S1669 PolarHBondContact O-N 2.99Å; E1667-S1669 PolarHBondContact OE1-OG 3.12Å; E1667-T1670 WeakPolarHBondContact CB-OG1 3.32Å; E1667-T1670 VanDerWaalsContact CD-OG1 3.29Å; E1667-T1670 PolarHBondContact O-N 3.06Å; E1667-T1670 PolarHBondContact OE1-OG1 2.87Å; E1667-T1670 WeakPolarHBondContact OE2-CB 3.31Å; E1667-T1670 VanDerWaalsContact OE2-CG2 3.23Å; E1667-T1670 WeakPolarHBondContact OE2-CG2 3.34Å; E1667-T1670 PolarHBondContact OE2-OG1 3.2Å; E1667-L1671 VanDerWaalsContact O-CA 3.27Å; E1667-L1671 WeakPolarHBondContact O-CA 3.22Å; E1667-L1671 PolarHBondContact O-N 3.09Å; E1667-R1672 HydrophobicContact CB-CG 4.25Å; E1667-R1672 PolarHBondContact N-O 3.04Å; E1667-R1672 IonicContact OE2-CZ 2.77Å; E1667-R1672 IonicContact OE2-NE 3.72Å; E1667-R1672 PolarHBondContact OE2-NE 2.79Å; E1667-R1672 IonicContact OE2-NH2 2.69Å; E1667-R1672 PolarHBondContact OE2-NH2 3.02Å; E1667-L1674 HydrophobicContact CB-CD1 4.08Å; E1667-L1674 HydrophobicContact CB-CD2 4.11Å; E1667-L1674 HydrophobicContact CB-CG 4.1Å; E1667-V1733 HydrophobicContact CG-CG1 4.39Å; E1667-V1733 HydrophobicContact CG-CG2 4.39Å |
| 1668 | L | 70.4 | Confident | 73.9 | Confident | 48.2 Ų | 48.2 | 49.6 Ų | 49.6 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.9 | -175.5 | -97.6 | 157 | 0 | 0 | 0 | 113.6 | M1647 A1651 K1652 L1654 V1666 L2521 | M1647-L1668 HydrophobicContact CG-CD1 3.72Å; M1647-L1668 VanDerWaalsContact CG-CD1 3.5Å; M1647-L1668 HydrophobicContact CG-CD2 3.98Å; M1647-L1668 HydrophobicContact CG-CG 4.45Å; M1647-L1668 HydrophobicContact SD-CD1 3.72Å; M1647-L1668 WeakPolarHBondContact SD-CD1 3.31Å; M1647-L1668 HydrophobicContact SD-CD2 4.03Å; M1647-L1668 VanDerWaalsContact SD-CD2 3.53Å; M1647-L1668 HydrophobicContact SD-CG 4.4Å; A1651-L1668 VanDerWaalsContact O-CD1 3.25Å; A1651-L1668 WeakPolarHBondContact O-CD1 3.35Å; K1652-L1668 VanDerWaalsContact C-CB 3.5Å; K1652-L1668 VanDerWaalsContact C-CD1 3.45Å; K1652-L1668 HydrophobicContact CB-CB 4.43Å; K1652-L1668 WeakPolarHBondContact O-CB 3.39Å; K1652-L1668 PolarHBondContact O-N 3.07Å; L1654-L1668 HydrophobicContact CB-CD1 4.31Å; L1654-L1668 HydrophobicContact CB-CD2 4.05Å; L1654-L1668 HydrophobicContact CB-CG 4.13Å; V1666-L1668 PolarHBondContact O-N 3.02Å; L1668-L2521 HydrophobicContact CD2-CD1 3.87Å; L1668-L2521 HydrophobicContact CD2-CD2 3.94Å |
| 1669 | S | 66.3 | Low | 73.4 | Confident | 85.6 Ų | 85.6 | 50.5 Ų | 50.5 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -38.4 | -178.4 | 41 | 0 | 0 | 0 | 0 | 112.9 | E1667 | E1667-S1669 VanDerWaalsContact C-N 3.33Å; E1667-S1669 VanDerWaalsContact CD-OG 3.3Å; E1667-S1669 VanDerWaalsContact CG-OG 3.31Å; E1667-S1669 WeakPolarHBondContact CG-OG 3.4Å; E1667-S1669 PolarHBondContact O-N 2.99Å; E1667-S1669 PolarHBondContact OE1-OG 3.12Å |
| 1670 | T | 65.5 | Low | 73.7 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -11.7 | -173.6 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | M1627 E1667 R1672 | M1627-T1670 WeakPolarHBondContact CE-O 3.37Å; E1667-T1670 WeakPolarHBondContact CB-OG1 3.32Å; E1667-T1670 VanDerWaalsContact CD-OG1 3.29Å; E1667-T1670 PolarHBondContact O-N 3.06Å; E1667-T1670 PolarHBondContact OE1-OG1 2.87Å; E1667-T1670 WeakPolarHBondContact OE2-CB 3.31Å; E1667-T1670 VanDerWaalsContact OE2-CG2 3.23Å; E1667-T1670 WeakPolarHBondContact OE2-CG2 3.34Å; E1667-T1670 PolarHBondContact OE2-OG1 3.2Å; T1670-R1672 PolarHBondContact O-N 2.92Å; T1670-R1672 VanDerWaalsContact O-N 3.15Å; T1670-R1672 VanDerWaalsContact OG1-CB 3.26Å; T1670-R1672 WeakPolarHBondContact OG1-CB 3.27Å; T1670-R1672 WeakPolarHBondContact OG1-CD 3.15Å; T1670-R1672 VanDerWaalsContact OG1-CG 3.3Å; T1670-R1672 WeakPolarHBondContact OG1-CG 3.33Å; T1670-R1672 PolarHBondContact OG1-N 3.02Å; T1670-R1672 PolarHBondContact OG1-NE 2.8Å |
| 1671 | L | 64.2 | Low | 73.8 | Confident | 81.6 Ų | 81.6 | 49.7 Ų | 49.7 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | trans | 50.9 | 24.4 | -167.8 | -68 | 166.3 | 0 | 0 | 0 | 113.8 | M1623 M1627 I1628 K1630 L1654 V1666 E1667 L2521 | M1623-L1671 HydrophobicContact CE-CD1 3.67Å; M1623-L1671 HydrophobicContact CE-CD2 3.57Å; M1623-L1671 HydrophobicContact CE-CG 4.27Å; M1623-L1671 HydrophobicContact CG-CD1 4.23Å; M1623-L1671 HydrophobicContact SD-CD1 4.26Å; M1627-L1671 HydrophobicContact CB-CB 4.04Å; M1627-L1671 HydrophobicContact CB-CD1 3.16Å; M1627-L1671 HydrophobicContact CB-CG 4.15Å; M1627-L1671 HydrophobicContact CG-CB 4.18Å; M1627-L1671 HydrophobicContact CG-CD1 3.86Å; M1627-L1671 HydrophobicContact SD-CB 3.43Å; M1627-L1671 WeakPolarHBondContact SD-CB 3.49Å; M1627-L1671 HydrophobicContact SD-CD1 3.53Å; M1627-L1671 VanDerWaalsContact SD-CD1 3.53Å; M1627-L1671 HydrophobicContact SD-CG 3.7Å; I1628-L1671 HydrophobicContact CG2-CD1 4.26Å; K1630-L1671 PolarHBondContact NZ-O 3.19Å; L1654-L1671 HydrophobicContact CD2-CD2 4.43Å; V1666-L1671 VanDerWaalsContact CG1-C 3.47Å; V1666-L1671 HydrophobicContact CG1-CB 4.35Å; V1666-L1671 HydrophobicContact CG1-CD2 4.11Å; V1666-L1671 HydrophobicContact CG1-CG 4.49Å; E1667-L1671 VanDerWaalsContact O-CA 3.27Å; E1667-L1671 WeakPolarHBondContact O-CA 3.22Å; E1667-L1671 PolarHBondContact O-N 3.09Å; L1671-L2521 HydrophobicContact CD1-CD1 4.45Å; L1671-L2521 HydrophobicContact CD2-CD1 3.61Å; L1671-L2521 HydrophobicContact CD2-CG 4.13Å; L1671-L2521 HydrophobicContact CG-CD1 4.22Å | ||
| 1672 | R | 66.3 | Low | 73.9 | Confident | 131.2 Ų | 131.2 | 51.2 Ų | 51.2 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -80 | 133.5 | 175.1 | 172.1 | -179.3 | 173.4 | -177.4 | -3.1 | 109.8 | V1666 E1667 T1670 L1674 H1738 | V1666-R1672 CarbonylContact C-O 3.57Å; V1666-R1672 VanDerWaalsContact CA-O 3.27Å; V1666-R1672 WeakPolarHBondContact CA-O 3.32Å; E1667-R1672 HydrophobicContact CB-CG 4.25Å; E1667-R1672 PolarHBondContact N-O 3.04Å; E1667-R1672 IonicContact OE2-CZ 2.77Å; E1667-R1672 IonicContact OE2-NE 3.72Å; E1667-R1672 PolarHBondContact OE2-NE 2.79Å; E1667-R1672 IonicContact OE2-NH2 2.69Å; E1667-R1672 PolarHBondContact OE2-NH2 3.02Å; T1670-R1672 PolarHBondContact O-N 2.92Å; T1670-R1672 VanDerWaalsContact O-N 3.15Å; T1670-R1672 VanDerWaalsContact OG1-CB 3.26Å; T1670-R1672 WeakPolarHBondContact OG1-CB 3.27Å; T1670-R1672 WeakPolarHBondContact OG1-CD 3.15Å; T1670-R1672 VanDerWaalsContact OG1-CG 3.3Å; T1670-R1672 WeakPolarHBondContact OG1-CG 3.33Å; T1670-R1672 PolarHBondContact OG1-N 3.02Å; T1670-R1672 PolarHBondContact OG1-NE 2.8Å; R1672-L1674 HydrophobicContact CG-CD2 4.18Å; R1672-L1674 PolarHBondContact O-N 2.92Å; R1672-L1674 VanDerWaalsContact O-N 3.16Å; R1672-H1738 PolarHBondContact NH1-CE1 3.17Å; R1672-H1738 PolarHBondContact NH1-NE2 2.97Å; R1672-H1738 PolarHBondContact NH2-NE2 3.3Å; R1672-H1738 VanDerWaalsContact NH2-NE2 3.2Å | ||
| 1673 | E | 69.4 | Low | 74 | Confident | 88.2 Ų | 88.2 | 50.1 Ų | 50.1 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 120.2 | 168.2 | -105.9 | 178.8 | 170 | 0 | 0 | 109.1 | K1564 Y1565 Y1656 T1664 F1665 V1666 S1676 | K1564-E1673 VanDerWaalsContact NZ-CD 3.35Å; K1564-E1673 IonicContact NZ-OE1 3.51Å; K1564-E1673 PolarHBondContact NZ-OE1 3.37Å; K1564-E1673 IonicContact NZ-OE2 3.35Å; K1564-E1673 PolarHBondContact NZ-OE2 3.04Å; K1564-E1673 VanDerWaalsContact NZ-OE2 3.15Å; Y1565-E1673 PolarHBondContact OH-OE2 3.42Å; Y1656-E1673 PolarHBondContact OH-OE1 2.81Å; T1664-E1673 HydrophobicContact CG2-CG 3.58Å; F1665-E1673 CarbonylContact O-C 3.19Å; F1665-E1673 WeakPolarHBondContact O-CA 3.45Å; V1666-E1673 HydrophobicContact CG2-CG 4.24Å; E1673-S1676 WeakPolarHBondContact OE1-CB 3.37Å; E1673-S1676 PolarHBondContact OE1-OG 3.16Å |
| 1674 | L | 72.4 | Confident | 74 | Confident | 45.2 Ų | 45.2 | 50.1 Ų | 50.1 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -48.3 | 176.1 | -64 | 174 | 0 | 0 | 0 | 109.8 | V1653 F1665 E1667 R1672 V1729 V1733 | V1653-L1674 HydrophobicContact CG1-CD1 4.3Å; V1653-L1674 HydrophobicContact CG2-CD1 4.32Å; F1665-L1674 HydrophobicContact CB-CB 4.3Å; F1665-L1674 PolarHBondContact O-N 3.07Å; E1667-L1674 HydrophobicContact CB-CD1 4.08Å; E1667-L1674 HydrophobicContact CB-CD2 4.11Å; E1667-L1674 HydrophobicContact CB-CG 4.1Å; R1672-L1674 HydrophobicContact CG-CD2 4.18Å; R1672-L1674 PolarHBondContact O-N 2.92Å; R1672-L1674 VanDerWaalsContact O-N 3.16Å; L1674-V1729 HydrophobicContact CB-CG1 4.14Å; L1674-V1729 HydrophobicContact CD1-CG1 3.86Å; L1674-V1729 HydrophobicContact CG-CG1 4.5Å; L1674-V1733 HydrophobicContact CD1-CG2 3.83Å; L1674-V1733 HydrophobicContact CD2-CG2 4.29Å |
| 1675 | W | 71.6 | Confident | 74.2 | Confident | 92.4 Ų | 92.4 | 50.1 Ų | 50.1 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 154.5 | -173.8 | -94.6 | 92.6 | 0 | 0 | 0 | 112.2 | T1664 F1665 L1677 T1741 I1743 | T1664-W1675 CarbonylContact C-O 3.39Å; T1664-W1675 VanDerWaalsContact CA-O 3.3Å; T1664-W1675 WeakPolarHBondContact CA-O 3.39Å; F1665-W1675 HydrophobicContact CB-CB 4.46Å; F1665-W1675 HydrophobicContact CD2-CB 4.36Å; F1665-W1675 PolarHBondContact N-O 3.08Å; F1665-W1675 PolarHBondContact O-N 3.13Å; W1675-L1677 HydrophobicContact CE3-CB 4.47Å; W1675-L1677 HydrophobicContact CE3-CD2 3.73Å; W1675-L1677 HydrophobicContact CE3-CG 3.77Å; W1675-L1677 HydrophobicContact CH2-CD2 4.07Å; W1675-L1677 HydrophobicContact CZ3-CB 4.21Å; W1675-L1677 HydrophobicContact CZ3-CD2 3.17Å; W1675-L1677 HydrophobicContact CZ3-CG 3.66Å; W1675-T1741 WeakPolarHBondContact CZ2-O 3.34Å; W1675-I1743 HydrophobicContact CB-CD1 4.16Å; W1675-I1743 HydrophobicContact CD2-CD1 3.9Å; W1675-I1743 HydrophobicContact CD2-CG1 4.25Å; W1675-I1743 HydrophobicContact CE3-CD1 3.57Å; W1675-I1743 HydrophobicContact CE3-CG1 4.38Å; W1675-I1743 HydrophobicContact CG-CD1 3.94Å; W1675-I1743 HydrophobicContact CH2-CB 4.33Å; W1675-I1743 HydrophobicContact CZ3-CB 4.36Å; W1675-I1743 HydrophobicContact CZ3-CD1 4.21Å |
| 1676 | S | 74.9 | Confident | 74.4 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.8 | 169.7 | 5.7 | 0 | 0 | 0 | 0 | 110.8 | I1663 T1664 E1673 | I1663-S1676 CarbonylContact O-C 3.34Å; I1663-S1676 VanDerWaalsContact O-CA 3.31Å; I1663-S1676 WeakPolarHBondContact O-CA 3.43Å; T1664-S1676 VanDerWaalsContact CG2-OG 3.28Å; T1664-S1676 WeakPolarHBondContact CG2-OG 3.42Å; T1664-S1676 PolarHBondContact OG1-OG 2.93Å; E1673-S1676 WeakPolarHBondContact OE1-CB 3.37Å; E1673-S1676 PolarHBondContact OE1-OG 3.16Å |
| 1677 | L | 75.8 | Confident | 75 | Confident | 15.8 Ų | 15.8 | 50.4 Ų | 50.4 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.4 | 174.3 | -59.3 | 172 | 0 | 0 | 0 | 109.8 | T1662 I1663 F1665 W1675 W1724 I1743 | T1662-L1677 CarbonylContact C-O 3.56Å; T1662-L1677 VanDerWaalsContact CA-O 3.32Å; T1662-L1677 WeakPolarHBondContact CA-O 3.29Å; I1663-L1677 HydrophobicContact CB-CB 4.25Å; I1663-L1677 HydrophobicContact CB-CD1 4.46Å; I1663-L1677 PolarHBondContact N-O 2.99Å; I1663-L1677 PolarHBondContact O-N 2.89Å; F1665-L1677 HydrophobicContact CE2-CD1 3.6Å; F1665-L1677 VanDerWaalsContact CE2-CD1 3.48Å; F1665-L1677 HydrophobicContact CE2-CG 4.07Å; F1665-L1677 HydrophobicContact CZ-CD1 4.21Å; W1675-L1677 HydrophobicContact CE3-CB 4.47Å; W1675-L1677 HydrophobicContact CE3-CD2 3.73Å; W1675-L1677 HydrophobicContact CE3-CG 3.77Å; W1675-L1677 HydrophobicContact CH2-CD2 4.07Å; W1675-L1677 HydrophobicContact CZ3-CB 4.21Å; W1675-L1677 HydrophobicContact CZ3-CD2 3.17Å; W1675-L1677 HydrophobicContact CZ3-CG 3.66Å; L1677-W1724 HydrophobicContact CD1-CB 4.32Å; L1677-W1724 HydrophobicContact CD1-CD2 3.88Å; L1677-W1724 HydrophobicContact CD1-CE3 3.93Å; L1677-W1724 HydrophobicContact CD1-CG 4.14Å; L1677-W1724 HydrophobicContact CD1-CZ3 4.38Å; L1677-W1724 HydrophobicContact CD2-CD2 4.32Å; L1677-W1724 HydrophobicContact CD2-CE3 3.7Å; L1677-W1724 HydrophobicContact CD2-CH2 4.49Å; L1677-W1724 HydrophobicContact CD2-CZ3 3.78Å; L1677-W1724 HydrophobicContact CG-CE3 4.38Å; L1677-I1743 HydrophobicContact CD1-CD1 4.35Å; L1677-I1743 HydrophobicContact CD1-CG2 4.02Å; L1677-I1743 HydrophobicContact CD2-CB 3.9Å; L1677-I1743 HydrophobicContact CD2-CD1 4.03Å; L1677-I1743 HydrophobicContact CD2-CG1 4.43Å; L1677-I1743 HydrophobicContact CD2-CG2 3.68Å; L1677-I1743 VanDerWaalsContact CD2-CG2 3.49Å; L1677-I1743 HydrophobicContact CG-CD1 4.43Å; L1677-I1743 HydrophobicContact CG-CG2 4.43Å |
| 1678 | T | 72.7 | Confident | 75.6 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.1 | 171.3 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | I1628 T1662 | I1628-T1678 WeakPolarHBondContact CD1-OG1 3.07Å; I1628-T1678 WeakPolarHBondContact CG1-OG1 3.23Å; T1662-T1678 HydrophobicContact CG2-CG2 4.04Å |
| 1679 | G | 67.8 | Low | 76.4 | Confident | 19.4 Ų | 19.4 | 47.5 Ų | 47.5 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | trans | -141.5 | -35 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1722 | G1679-F1722 WeakPolarHBondContact O-CE2 3.45Š| ||
| 1680 | H | 79.9 | Confident | 77.1 | Confident | 8.6 Ų | 8.6 | 43.7 Ų | 43.7 | 4% | 0.04 | 23% | 0.227 | C | C | . | . | trans | -82.2 | 148.7 | 175.3 | -71.9 | -64.9 | 0 | 0 | 0 | 111.5 | V1684 S1714 S1716 D1718 D1720 F1722 | H1680-V1684 HydrophobicContact CB-CG2 4.39Å; H1680-S1714 PolarHBondContact CD2-OG 3.4Å; H1680-S1714 WeakPolarHBondContact NE2-CB 3.34Å; H1680-S1714 PolarHBondContact NE2-O 3.1Å; H1680-S1714 PolarHBondContact NE2-OG 3.09Å; H1680-S1716 VanDerWaalsContact CG-CB 3.46Å; H1680-S1716 WeakPolarHBondContact ND1-CB 3.43Å; H1680-D1718 WeakPolarHBondContact CA-OD2 3.29Å; H1680-D1718 WeakPolarHBondContact CB-OD2 3.31Å; H1680-D1718 IonicContact CG-OD2 2.86Å; H1680-D1718 IonicContact ND1-OD1 3.55Å; H1680-D1718 PolarHBondContact ND1-OD1 3.13Å; H1680-D1718 IonicContact ND1-OD2 2.86Å; H1680-D1718 PolarHBondContact ND1-OD2 3.25Å; H1680-D1720 PolarHBondContact CE1-O 3.3Å; H1680-D1720 VanDerWaalsContact CE1-O 3.29Å; H1680-F1722 AromaticContact CD2-CD2 3.95Å; H1680-F1722 AromaticContact CE1-CD2 3.22Å; H1680-F1722 WeakPolarHBondContact CE1-CD2 3.32Å; H1680-F1722 AromaticContact CE1-CE2 3.54Å; H1680-F1722 VanDerWaalsContact CE1-CE2 3.46Å; H1680-F1722 WeakPolarHBondContact CE1-CE2 3.36Å; H1680-F1722 AromaticContact CE1-CG 3.96Å; H1680-F1722 AromaticContact ND1-CD2 3.62Å; H1680-F1722 AromaticContact ND1-CE2 3.47Å; H1680-F1722 WeakPolarHBondContact ND1-CE2 3.33Å; H1680-F1722 AromaticContact NE2-CD2 3.52Å; H1680-F1722 WeakPolarHBondContact NE2-CD2 3.45Å | ||
| 1681 | H | 75.7 | Confident | 77.4 | Confident | 135.8 Ų | 135.8 | 43 Ų | 43 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -95.8 | -7.7 | 179.2 | -61.2 | 75.2 | 0 | 0 | 0 | 112.5 | Y1629 I1632 D1718 | Y1629-H1681 WeakPolarHBondContact CB-NE2 3.25Å; Y1629-H1681 AromaticContact CD1-CE1 3.65Å; Y1629-H1681 AromaticContact CD1-NE2 3.07Å; Y1629-H1681 WeakPolarHBondContact CD1-NE2 3.36Å; Y1629-H1681 AromaticContact CE1-NE2 3.91Å; Y1629-H1681 AromaticContact CG-CE1 3.69Å; Y1629-H1681 AromaticContact CG-NE2 3.39Å; I1632-H1681 WeakPolarHBondContact CD1-O 3.48Å; I1632-H1681 WeakPolarHBondContact CG1-O 3.23Å; H1681-D1718 WeakPolarHBondContact CA-OD2 3.25Å; H1681-D1718 HydrophobicContact CB-CB 4.34Å; H1681-D1718 PolarHBondContact N-OD2 3.08Å; H1681-D1718 IonicContact ND1-OD2 3.89Å |
| 1682 | S | 79.5 | Confident | 77.4 | Confident | 32.2 Ų | 32.2 | 45.7 Ų | 45.7 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -144.3 | -178.5 | 178 | -158.9 | 0 | 0 | 0 | 0 | 111.1 | G1661 V1684 S1716 E1717 D1718 | G1661-S1682 WeakPolarHBondContact CA-O 3.33Å; G1661-S1682 PolarHBondContact N-O 2.99Å; S1682-V1684 PolarHBondContact O-N 3.08Å; S1682-S1716 PolarHBondContact O-OG 3.22Å; S1682-S1716 VanDerWaalsContact O-OG 3.05Å; S1682-E1717 WeakPolarHBondContact OG-CB 3.3Å; S1682-E1717 PolarHBondContact OG-OE2 3.23Å; S1682-E1717 VanDerWaalsContact OG-OE2 3.04Å; S1682-D1718 VanDerWaalsContact CB-CG 3.46Å; S1682-D1718 WeakPolarHBondContact CB-OD1 3.49Å; S1682-D1718 PolarHBondContact N-OD1 3.28Å; S1682-D1718 PolarHBondContact N-OD2 2.74Å |
| 1683 | S | 82.8 | Confident | 76.9 | Confident | 0.6 Ų | 0.6 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | trans | -53.2 | 129.4 | -174.9 | 177.7 | 0 | 0 | 0 | 0 | 113.7 | T1643 T1658 R1659 Q1685 S1716 E1717 | T1643-S1683 WeakPolarHBondContact CB-OG 3.47Å; T1643-S1683 WeakPolarHBondContact CG2-OG 3.39Å; T1643-S1683 PolarHBondContact OG1-OG 2.99Å; T1658-S1683 WeakPolarHBondContact O-CA 3.39Å; R1659-S1683 WeakPolarHBondContact CA-OG 3.4Å; R1659-S1683 VanDerWaalsContact O-CA 3.3Å; R1659-S1683 WeakPolarHBondContact O-CA 3.39Å; R1659-S1683 WeakPolarHBondContact O-CB 3.28Å; R1659-S1683 PolarHBondContact O-N 3.06Å; S1683-Q1685 VanDerWaalsContact CB-NE2 3.28Å; S1683-Q1685 PolarHBondContact O-N 3.13Å; S1683-Q1685 PolarHBondContact O-NE2 3.44Å; S1683-Q1685 PolarHBondContact OG-NE2 3.09Å; S1683-Q1685 VanDerWaalsContact OG-NE2 3.13Å; S1683-S1716 CarbonylContact O-C 3.4Å; S1683-S1716 VanDerWaalsContact O-CA 3.29Å; S1683-S1716 WeakPolarHBondContact O-CA 3.34Å; S1683-S1716 WeakPolarHBondContact O-CB 3.43Å; S1683-S1716 PolarHBondContact O-OG 3.02Å; S1683-E1717 VanDerWaalsContact CB-CD 3.41Å; S1683-E1717 VanDerWaalsContact CB-OE1 3.23Å; S1683-E1717 WeakPolarHBondContact CB-OE1 3.32Å; S1683-E1717 WeakPolarHBondContact CB-OE2 3.35Å; S1683-E1717 PolarHBondContact O-N 3.17Å; S1683-E1717 PolarHBondContact OG-OE1 3.15Å | ||
| 1684 | V | 85.3 | Confident | 76 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 108.3 | 176.2 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | T1643 S1644 T1658 I1663 H1680 S1682 L1687 A1715 | T1643-V1684 WeakPolarHBondContact CB-O 3.34Å; T1643-V1684 PolarHBondContact OG1-O 2.99Å; S1644-V1684 WeakPolarHBondContact CB-O 3.42Å; S1644-V1684 WeakPolarHBondContact OG-CG1 3Å; S1644-V1684 PolarHBondContact OG-O 3.01Å; T1658-V1684 PolarHBondContact O-N 2.87Å; T1658-V1684 VanDerWaalsContact O-N 3.12Å; I1663-V1684 HydrophobicContact CG1-CG1 4.4Å; I1663-V1684 HydrophobicContact CG1-CG2 4Å; H1680-V1684 HydrophobicContact CB-CG2 4.39Å; S1682-V1684 PolarHBondContact O-N 3.08Å; V1684-L1687 HydrophobicContact CG1-CD2 4.03Å; V1684-L1687 HydrophobicContact CG1-CG 4.18Å; V1684-A1715 CarbonylContact C-O 3.57Å |
| 1685 | Q | 84.9 | Confident | 74.6 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -26.9 | -173.4 | -63.3 | -63.3 | -29.8 | 0 | 0 | 113.3 | S1683 A1715 E1717 V1757 T1758 N1926 K1930 | S1683-Q1685 VanDerWaalsContact CB-NE2 3.28Å; S1683-Q1685 PolarHBondContact O-N 3.13Å; S1683-Q1685 PolarHBondContact O-NE2 3.44Å; S1683-Q1685 PolarHBondContact OG-NE2 3.09Å; S1683-Q1685 VanDerWaalsContact OG-NE2 3.13Å; Q1685-A1715 PolarHBondContact N-O 2.83Å; Q1685-E1717 HydrophobicContact CG-CB 4.45Å; Q1685-E1717 HydrophobicContact CG-CG 3.89Å; Q1685-E1717 VanDerWaalsContact NE2-CD 3.32Å; Q1685-E1717 VanDerWaalsContact NE2-CG 3.25Å; Q1685-E1717 PolarHBondContact NE2-OE1 3.13Å; Q1685-V1757 VanDerWaalsContact CB-O 3.25Å; Q1685-V1757 WeakPolarHBondContact CB-O 3.34Å; Q1685-T1758 CarbonylContact C-O 3.48Å; Q1685-T1758 VanDerWaalsContact CB-O 3.28Å; Q1685-T1758 WeakPolarHBondContact CB-O 3.47Å; Q1685-N1926 PolarHBondContact OE1-ND2 2.73Å; Q1685-K1930 PolarHBondContact O-NZ 3.19Å; Q1685-K1930 VanDerWaalsContact O-NZ 3.14Å |
| 1686 | S | 86.4 | Confident | 73.1 | Confident | 7.2 Ų | 7.2 | 50.6 Ų | 50.6 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 142.6 | 179.7 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S1714 A1715 S1760 K1930 | S1686-S1714 CarbonylContact O-C 3.58Å; S1686-S1714 WeakPolarHBondContact O-CA 3.33Å; S1686-A1715 PolarHBondContact N-O 3.12Å; S1686-A1715 VanDerWaalsContact N-O 3.16Å; S1686-A1715 PolarHBondContact O-N 3.32Å; S1686-A1715 WeakPolarHBondContact OG-CB 3.17Å; S1686-S1760 WeakPolarHBondContact CB-OG 3.18Å; S1686-S1760 WeakPolarHBondContact OG-CB 3.31Å; S1686-S1760 PolarHBondContact OG-N 3.05Å; S1686-S1760 VanDerWaalsContact OG-N 3.14Å; S1686-S1760 PolarHBondContact OG-OG 3.1Å; S1686-K1930 VanDerWaalsContact CB-NZ 3.31Å; S1686-K1930 PolarHBondContact OG-NZ 3.09Å; S1686-K1930 VanDerWaalsContact OG-NZ 3.1Å |
| 1687 | L | 88.1 | Confident | 71.4 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.3 | 171.9 | -70.5 | 169.7 | 0 | 0 | 0 | 107.7 | E1646 V1655 G1657 I1663 V1684 L1712 M1713 | E1646-L1687 HydrophobicContact CB-CB 3.93Å; E1646-L1687 VanDerWaalsContact OE2-C 3.29Å; E1646-L1687 VanDerWaalsContact OE2-O 3.11Å; V1655-L1687 HydrophobicContact CB-CD1 4.36Å; V1655-L1687 HydrophobicContact CG1-CD1 3.85Å; V1655-L1687 HydrophobicContact CG1-CD2 4.43Å; G1657-L1687 VanDerWaalsContact N-CD1 3.33Å; I1663-L1687 HydrophobicContact CD1-CD2 4.4Å; I1663-L1687 HydrophobicContact CG1-CD2 4.34Å; I1663-L1687 HydrophobicContact CG2-CD1 4.45Å; I1663-L1687 HydrophobicContact CG2-CD2 4.05Å; V1684-L1687 HydrophobicContact CG1-CD2 4.03Å; V1684-L1687 HydrophobicContact CG1-CG 4.18Å; L1687-L1712 HydrophobicContact CB-CD1 4.38Å; L1687-L1712 HydrophobicContact CD2-CD1 4.34Å; L1687-L1712 HydrophobicContact CD2-CD2 4.25Å; L1687-L1712 HydrophobicContact CD2-CG 4.43Å; L1687-M1713 CarbonylContact C-O 3.45Å; L1687-M1713 WeakPolarHBondContact CA-O 3.37Å |
| 1688 | C | 87.4 | Confident | 69.5 | Low | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 126.5 | 175.7 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | E1646 M1713 W1762 | E1646-C1688 VanDerWaalsContact CD-CA 3.45Å; E1646-C1688 VanDerWaalsContact OE1-CA 3.29Å; E1646-C1688 WeakPolarHBondContact OE1-CA 3.3Å; E1646-C1688 WeakPolarHBondContact OE2-CA 3.42Å; E1646-C1688 PolarHBondContact OE2-N 3.22Å; C1688-M1713 HydrophobicContact CB-CB 4.47Å; C1688-M1713 HydrophobicContact CB-CE 3.71Å; C1688-M1713 PolarHBondContact N-O 2.91Å; C1688-M1713 WeakPolarHBondContact O-CB 3.17Å; C1688-M1713 PolarHBondContact O-N 3.18Å; C1688-W1762 VanDerWaalsContact SG-CB 3.53Å; C1688-W1762 WeakPolarHBondContact SG-CB 3.39Å; C1688-W1762 PolarHBondContact SG-N 3.03Å; C1688-W1762 VanDerWaalsContact SG-N 3.45Å |
| 1689 | F | 86.5 | Confident | 67.8 | Low | 7.2 Ų | 7.2 | 63 Ų | 63 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.5 | 173 | -78.7 | -69.9 | 0 | 0 | 0 | 111.2 | E1646 N1648 V1655 E1691 L1710 L1712 | E1646-F1689 HydrophobicContact CB-CD2 4.38Å; E1646-F1689 HydrophobicContact CB-CE2 4.39Å; E1646-F1689 VanDerWaalsContact CD-N 3.26Å; E1646-F1689 HydrophobicContact CG-CD2 3.83Å; E1646-F1689 HydrophobicContact CG-CE2 4.14Å; E1646-F1689 PolarHBondContact OE1-N 3.16Å; E1646-F1689 PolarHBondContact OE2-N 2.99Å; N1648-F1689 HydrophobicContact CB-CD1 4.39Å; N1648-F1689 HydrophobicContact CB-CD2 4.06Å; N1648-F1689 HydrophobicContact CB-CE1 4.28Å; N1648-F1689 HydrophobicContact CB-CE2 3.85Å; N1648-F1689 HydrophobicContact CB-CG 4.26Å; N1648-F1689 HydrophobicContact CB-CZ 4.03Å; N1648-F1689 VanDerWaalsContact N-CE2 3.31Å; V1655-F1689 HydrophobicContact CB-CE2 4.46Å; V1655-F1689 HydrophobicContact CB-CZ 4.32Å; V1655-F1689 HydrophobicContact CG2-CE1 4.38Å; V1655-F1689 HydrophobicContact CG2-CE2 4.12Å; V1655-F1689 HydrophobicContact CG2-CZ 3.48Å; V1655-F1689 VanDerWaalsContact CG2-CZ 3.44Å; F1689-E1691 VanDerWaalsContact C-N 3.28Å; F1689-E1691 HydrophobicContact CB-CG 4.18Å; F1689-E1691 PolarHBondContact O-N 3.15Å; F1689-E1691 VanDerWaalsContact O-N 3.11Å; F1689-L1710 HydrophobicContact CD1-CD1 3.91Å; F1689-L1710 HydrophobicContact CD1-CD2 4.13Å; F1689-L1710 HydrophobicContact CD1-CG 4.18Å; F1689-L1710 HydrophobicContact CE1-CD1 4.1Å; F1689-L1710 HydrophobicContact CE1-CD2 3.94Å; F1689-L1710 HydrophobicContact CE1-CG 4.19Å; F1689-L1710 HydrophobicContact CZ-CD2 4.38Å; F1689-L1712 HydrophobicContact CD1-CB 4.31Å; F1689-L1712 HydrophobicContact CD1-CD1 3.91Å; F1689-L1712 HydrophobicContact CD2-CD1 4.43Å; F1689-L1712 HydrophobicContact CE1-CB 4.25Å; F1689-L1712 HydrophobicContact CE1-CD1 3.86Å; F1689-L1712 HydrophobicContact CE1-CG 4.45Å; F1689-L1712 HydrophobicContact CE2-CD1 4.4Å; F1689-L1712 HydrophobicContact CG-CD1 4.24Å; F1689-L1712 HydrophobicContact CZ-CD1 4.14Å |
| 1690 | L | 81.7 | Confident | 66.4 | Low | 6.6 Ų | 6.6 | 67.4 Ų | 67.4 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 72.6 | 178.8 | -48.9 | 174.8 | 0 | 0 | 0 | 109.5 | W1711 M1713 I1723 W1762 V1769 V1783 | L1690-W1711 HydrophobicContact CB-CB 4.11Å; L1690-W1711 HydrophobicContact CD1-CB 4.09Å; L1690-W1711 HydrophobicContact CD1-CE3 4.32Å; L1690-W1711 HydrophobicContact CG-CB 4.42Å; L1690-W1711 PolarHBondContact N-O 3.23Å; L1690-M1713 HydrophobicContact CD1-CB 4.43Å; L1690-M1713 HydrophobicContact CD2-CB 4.29Å; L1690-M1713 HydrophobicContact CD2-CE 4.43Å; L1690-M1713 HydrophobicContact CG-CB 4.37Å; L1690-I1723 HydrophobicContact CD1-CD1 4.21Å; L1690-I1723 HydrophobicContact CD1-CG1 4.23Å; L1690-I1723 HydrophobicContact CD1-CG2 3.93Å; L1690-W1762 HydrophobicContact CB-CD2 4.27Å; L1690-W1762 HydrophobicContact CB-CH2 4.3Å; L1690-W1762 HydrophobicContact CB-CZ2 4.09Å; L1690-W1762 HydrophobicContact CD2-CB 4.04Å; L1690-W1762 HydrophobicContact CD2-CD2 3.51Å; L1690-W1762 VanDerWaalsContact CD2-CD2 3.46Å; L1690-W1762 HydrophobicContact CD2-CE3 3.45Å; L1690-W1762 VanDerWaalsContact CD2-CE3 3.43Å; L1690-W1762 HydrophobicContact CD2-CG 3.82Å; L1690-W1762 HydrophobicContact CD2-CH2 4.42Å; L1690-W1762 HydrophobicContact CD2-CZ2 4.46Å; L1690-W1762 HydrophobicContact CD2-CZ3 3.94Å; L1690-W1762 HydrophobicContact CG-CD2 4.45Å; L1690-V1769 HydrophobicContact CD2-CG2 3.77Å; L1690-V1783 HydrophobicContact CD1-CG1 4.33Å |
| 1691 | E | 71.8 | Confident | 64.2 | Low | 61.2 Ų | 61.2 | 77.2 Ų | 77.2 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 139.7 | 179.3 | -63.8 | 179 | 160.2 | 0 | 0 | 111 | N1648 S1649 F1689 L1710 W1762 P1764 K1935 | N1648-E1691 WeakPolarHBondContact CA-OE1 3.49Å; N1648-E1691 VanDerWaalsContact CB-OE1 3.27Å; N1648-E1691 WeakPolarHBondContact CB-OE1 3.05Å; N1648-E1691 VanDerWaalsContact CG-OE1 3.27Å; N1648-E1691 PolarHBondContact ND2-OE1 2.99Å; N1648-E1691 PolarHBondContact OD1-OE1 3.08Å; S1649-E1691 VanDerWaalsContact CB-CD 3.48Å; S1649-E1691 WeakPolarHBondContact CB-OE1 3.49Å; S1649-E1691 VanDerWaalsContact CB-OE2 3.23Å; S1649-E1691 WeakPolarHBondContact CB-OE2 3.21Å; S1649-E1691 PolarHBondContact N-OE1 3.14Å; S1649-E1691 PolarHBondContact N-OE2 2.69Å; S1649-E1691 VanDerWaalsContact OG-CD 3.28Å; S1649-E1691 PolarHBondContact OG-OE1 3.32Å; S1649-E1691 PolarHBondContact OG-OE2 3.38Å; F1689-E1691 VanDerWaalsContact C-N 3.28Å; F1689-E1691 HydrophobicContact CB-CG 4.18Å; F1689-E1691 PolarHBondContact O-N 3.15Å; F1689-E1691 VanDerWaalsContact O-N 3.11Å; E1691-L1710 HydrophobicContact CG-CD1 3.75Å; E1691-L1710 WeakPolarHBondContact OE1-CD1 3.16Å; E1691-W1762 PolarHBondContact O-NE1 3.11Å; E1691-P1764 VanDerWaalsContact O-CB 3.29Å; E1691-P1764 WeakPolarHBondContact O-CB 3.38Å; E1691-K1935 IonicContact OE2-NZ 2.69Å; E1691-K1935 PolarHBondContact OE2-NZ 2.73Å |
| 1692 | E | 64 | Low | 62.3 | Low | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 142.2 | 170.1 | -72.1 | -162.7 | 140.1 | 0 | 0 | 111.3 | ||
| 1693 | F | 55.6 | Low | 60.1 | Low | 88.6 Ų | 88.6 | 79 Ų | 79 | 39% | 0.389 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 130.4 | 169.7 | -135.7 | -89.6 | 0 | 0 | 0 | 109 | S1695 P1764 R1765 V1825 | F1693-S1695 PolarHBondContact O-N 3.03Å; F1693-P1764 HydrophobicContact CB-CB 4.31Å; F1693-P1764 HydrophobicContact CD2-CB 3.85Å; F1693-P1764 HydrophobicContact CD2-CG 3.67Å; F1693-P1764 VanDerWaalsContact CD2-CG 3.45Å; F1693-P1764 HydrophobicContact CE2-CB 4.16Å; F1693-P1764 HydrophobicContact CE2-CG 3.57Å; F1693-P1764 VanDerWaalsContact CE2-CG 3.48Å; F1693-P1764 HydrophobicContact CZ-CG 4.43Å; F1693-R1765 HydrophobicContact CD2-CB 4.21Å; F1693-R1765 HydrophobicContact CE2-CB 4.49Å; F1693-R1765 HydrophobicContact CG-CB 4.38Å; F1693-V1825 HydrophobicContact CE1-CG2 4.1Å; F1693-V1825 HydrophobicContact CZ-CG2 4.46Å |
| 1694 | P | 51.1 | Low | 57.6 | Low | 112 Ų | 112 | 86.8 Ų | 86.8 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | trans | -62.4 | 103.6 | 175.4 | 24.2 | -31.9 | 0 | 0 | 0 | 109.2 | K1696 | P1694-K1696 PolarHBondContact O-N 3.03Š| ||
| 1695 | S | 43.2 | Very low | 55.2 | Low | 99 Ų | 99 | 94.7 Ų | 94.7 | 69% | 0.692 | 50% | 0.495 | S | S | * | . | trans | -68.5 | 134.2 | 172 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | F1693 S1697 | F1693-S1695 PolarHBondContact O-N 3.03Å; S1695-S1697 VanDerWaalsContact C-N 3.31Å; S1695-S1697 PolarHBondContact O-N 3.13Å | ||
| 1696 | K | 40.5 | Very low | 52.8 | Low | 158.6 Ų | 158.6 | 103.1 Ų | 103.1 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | trans | -65.2 | 90.2 | 173.8 | -73.9 | -179 | 178.4 | 175 | 0 | 108.8 | P1694 E1698 N1828 E1831 | P1694-K1696 PolarHBondContact O-N 3.03Å; K1696-E1698 VanDerWaalsContact C-N 3.3Å; K1696-E1698 PolarHBondContact O-N 3.14Å; K1696-E1698 VanDerWaalsContact O-N 3.13Å; K1696-N1828 PolarHBondContact NZ-ND2 3.1Å; K1696-N1828 VanDerWaalsContact NZ-ND2 3.15Å; K1696-N1828 PolarHBondContact NZ-OD1 2.97Å; K1696-E1831 IonicContact NZ-OE1 3.59Å; K1696-E1831 PolarHBondContact NZ-OE1 3.21Å | ||
| 1697 | S | 37.5 | Very low | 50.7 | Low | 95.6 Ų | 95.6 | 107 Ų | 107 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | trans | -82.6 | 84.3 | 167.4 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | S1695 D1699 | S1695-S1697 VanDerWaalsContact C-N 3.31Å; S1695-S1697 PolarHBondContact O-N 3.13Å; S1697-D1699 VanDerWaalsContact C-N 3.25Å; S1697-D1699 PolarHBondContact O-N 2.9Å | ||
| 1698 | E | 37.7 | Very low | 48.9 | Very low | 174.8 Ų | 174.8 | 110.6 Ų | 110.6 | 82% | 0.817 | 58% | 0.577 | S | S | * | * | trans | -71 | 58.5 | 162.3 | -74.8 | -173.8 | 165.9 | 0 | 0 | 110 | K1696 | K1696-E1698 VanDerWaalsContact C-N 3.3Å; K1696-E1698 PolarHBondContact O-N 3.14Å; K1696-E1698 VanDerWaalsContact O-N 3.13Å | ||
| 1699 | D | 36.7 | Very low | 47.7 | Very low | 151.4 Ų | 151.4 | 115.1 Ų | 115.1 | 81% | 0.81 | 60% | 0.598 | S | S | * | * | trans | -160.6 | 113.7 | 163.4 | -84.9 | -33.7 | 0 | 0 | 0 | 115.1 | S1697 | S1697-D1699 VanDerWaalsContact C-N 3.25Å; S1697-D1699 PolarHBondContact O-N 2.9Å | ||
| 1700 | V | 37.5 | Very low | 47 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | trans | 150.2 | 107.6 | 156.7 | -179.5 | 0 | 0 | 0 | 0 | 113.5 | S1702 | V1700-S1702 VanDerWaalsContact C-N 3.26Å; V1700-S1702 WeakPolarHBondContact CG1-OG 3.46Å; V1700-S1702 PolarHBondContact O-N 3.21Å; V1700-S1702 PolarHBondContact O-OG 2.84Å | ||
| 1701 | K | 35.1 | Very low | 47.1 | Very low | 214.4 Ų | 214.4 | 116.7 Ų | 116.7 | 93% | 0.932 | 60% | 0.604 | S | S | * | * | trans | -35.8 | 66.7 | 158.4 | -67.6 | 174.2 | 179.6 | 176.9 | 0 | 114.5 | ||||
| 1702 | S | 34.4 | Very low | 47.8 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | trans | -153.1 | 129.2 | 153.2 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | V1700 K1704 | V1700-S1702 VanDerWaalsContact C-N 3.26Å; V1700-S1702 WeakPolarHBondContact CG1-OG 3.46Å; V1700-S1702 PolarHBondContact O-N 3.21Å; V1700-S1702 PolarHBondContact O-OG 2.84Å; S1702-K1704 VanDerWaalsContact C-N 3.26Å; S1702-K1704 PolarHBondContact O-N 3.13Å | ||
| 1703 | P | 32.9 | Very low | 49 | Very low | 136.2 Ų | 136.2 | 107.1 Ų | 107.1 | 88% | 0.884 | 56% | 0.559 | S | S | * | * | trans | -78.4 | 72 | 177.4 | 34.4 | -32.6 | 0 | 0 | 0 | 108.4 | K1705 | P1703-K1705 PolarHBondContact O-N 2.93Å; P1703-K1705 VanDerWaalsContact O-N 3.14Å | ||
| 1704 | K | 31.9 | Very low | 50.6 | Low | 164.4 Ų | 164.4 | 102.9 Ų | 102.9 | 72% | 0.715 | 54% | 0.54 | S | S | * | . | trans | -75.4 | 108.8 | 164.6 | -77.5 | -174.4 | 176.2 | -178.5 | 0 | 106.4 | S1702 F1706 | S1702-K1704 VanDerWaalsContact C-N 3.26Å; S1702-K1704 PolarHBondContact O-N 3.13Å; K1704-F1706 VanDerWaalsContact C-N 3.33Å; K1704-F1706 HydrophobicContact CB-CD2 4.18Å; K1704-F1706 HydrophobicContact CB-CE2 4.19Å; K1704-F1706 HydrophobicContact CD-CE2 4.33Å; K1704-F1706 WeakPolarHBondContact O-CD2 3.42Å; K1704-F1706 PolarHBondContact O-N 2.9Å | ||
| 1705 | K | 33.7 | Very low | 52.4 | Low | 166 Ų | 166 | 97.5 Ų | 97.5 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | trans | -45.5 | 101.3 | 167.4 | -85.1 | 179.9 | 166.6 | -171.9 | 0 | 108.7 | P1703 I1707 E1734 Y1735 | P1703-K1705 PolarHBondContact O-N 2.93Å; P1703-K1705 VanDerWaalsContact O-N 3.14Å; K1705-I1707 VanDerWaalsContact C-N 3.29Å; K1705-I1707 PolarHBondContact O-N 3.08Å; K1705-E1734 VanDerWaalsContact NZ-CD 3.26Å; K1705-E1734 IonicContact NZ-OE1 2.73Å; K1705-E1734 PolarHBondContact NZ-OE1 2.63Å; K1705-E1734 IonicContact NZ-OE2 2.85Å; K1705-E1734 PolarHBondContact NZ-OE2 3.17Å; K1705-Y1735 WeakPolarHBondContact CE-OH 3.35Å; K1705-Y1735 PolarHBondContact NZ-OH 3.27Å | ||
| 1706 | F | 35.4 | Very low | 54.5 | Low | 181.8 Ų | 181.8 | 92.8 Ų | 92.8 | 80% | 0.797 | 47% | 0.473 | S | S | * | . | trans | -74 | 109.7 | 162.6 | -84.2 | -89.5 | 0 | 0 | 0 | 106.4 | K1704 S1708 | K1704-F1706 VanDerWaalsContact C-N 3.33Å; K1704-F1706 HydrophobicContact CB-CD2 4.18Å; K1704-F1706 HydrophobicContact CB-CE2 4.19Å; K1704-F1706 HydrophobicContact CD-CE2 4.33Å; K1704-F1706 WeakPolarHBondContact O-CD2 3.42Å; K1704-F1706 PolarHBondContact O-N 2.9Å; F1706-S1708 VanDerWaalsContact C-N 3.28Å; F1706-S1708 PolarHBondContact O-N 3.16Å | ||
| 1707 | I | 41.1 | Very low | 56.6 | Low | 87.8 Ų | 87.8 | 88 Ų | 88 | 45% | 0.45 | 45% | 0.453 | S | S | . | . | trans | -62.6 | 101 | 166.6 | -56.5 | 167 | 0 | 0 | 0 | 105.3 | K1705 E1709 T1730 E1734 Y1735 | K1705-I1707 VanDerWaalsContact C-N 3.29Å; K1705-I1707 PolarHBondContact O-N 3.08Å; I1707-E1709 VanDerWaalsContact C-N 3.35Å; I1707-E1709 PolarHBondContact O-N 3.19Å; I1707-E1709 VanDerWaalsContact O-N 3.14Å; I1707-T1730 HydrophobicContact CG2-CG2 4.02Å; I1707-T1730 VanDerWaalsContact CG2-OG1 3.29Å; I1707-T1730 WeakPolarHBondContact CG2-OG1 3.38Å; I1707-E1734 WeakPolarHBondContact CD1-OE2 3.38Å; I1707-Y1735 HydrophobicContact CD1-CE2 4.44Å | ||
| 1708 | S | 51 | Low | 58.7 | Low | 84.4 Ų | 84.4 | 85.9 Ų | 85.9 | 59% | 0.59 | 43% | 0.434 | S | S | * | . | trans | -72.3 | 101.9 | 174 | -12.2 | 0 | 0 | 0 | 0 | 109.2 | F1706 L1710 S1727 | F1706-S1708 VanDerWaalsContact C-N 3.28Å; F1706-S1708 PolarHBondContact O-N 3.16Å; S1708-L1710 PolarHBondContact O-N 3.28Å; S1708-L1710 VanDerWaalsContact O-N 3.1Å; S1708-S1727 WeakPolarHBondContact O-CB 3.34Å | ||
| 1709 | E | 62.2 | Low | 60.8 | Low | 106.4 Ų | 106.4 | 77.7 Ų | 77.7 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | trans | -74 | 117.6 | 177.4 | -64.9 | -179.6 | -171.8 | 0 | 0 | 108.8 | I1707 W1711 | I1707-E1709 VanDerWaalsContact C-N 3.35Å; I1707-E1709 PolarHBondContact O-N 3.19Å; I1707-E1709 VanDerWaalsContact O-N 3.14Å; E1709-W1711 WeakPolarHBondContact OE2-CZ2 3.37Å | ||
| 1710 | L | 71.4 | Confident | 63.1 | Low | 12.8 Ų | 12.8 | 72.4 Ų | 72.4 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | trans | -109.4 | 109 | 178.2 | -176.4 | 75.4 | 0 | 0 | 0 | 108 | N1648 A1651 F1689 E1691 S1708 A1726 S1727 T1730 | N1648-L1710 HydrophobicContact CB-CD1 4.45Å; N1648-L1710 VanDerWaalsContact ND2-CD1 3.27Å; N1648-L1710 WeakPolarHBondContact ND2-CD1 3.34Å; A1651-L1710 HydrophobicContact CB-CD2 4.13Å; F1689-L1710 HydrophobicContact CD1-CD1 3.91Å; F1689-L1710 HydrophobicContact CD1-CD2 4.13Å; F1689-L1710 HydrophobicContact CD1-CG 4.18Å; F1689-L1710 HydrophobicContact CE1-CD1 4.1Å; F1689-L1710 HydrophobicContact CE1-CD2 3.94Å; F1689-L1710 HydrophobicContact CE1-CG 4.19Å; F1689-L1710 HydrophobicContact CZ-CD2 4.38Å; E1691-L1710 HydrophobicContact CG-CD1 3.75Å; E1691-L1710 WeakPolarHBondContact OE1-CD1 3.16Å; S1708-L1710 PolarHBondContact O-N 3.28Å; S1708-L1710 VanDerWaalsContact O-N 3.1Å; L1710-A1726 HydrophobicContact CD2-CB 4.07Å; L1710-A1726 HydrophobicContact CG-CB 4.21Å; L1710-A1726 CarbonylContact O-C 3.52Å; L1710-A1726 VanDerWaalsContact O-C 3.28Å; L1710-A1726 VanDerWaalsContact O-CA 3.28Å; L1710-A1726 WeakPolarHBondContact O-CA 3.38Å; L1710-A1726 WeakPolarHBondContact O-CB 3.37Å; L1710-A1726 PolarHBondContact O-N 3.25Å; L1710-S1727 PolarHBondContact O-N 2.99Å; L1710-S1727 VanDerWaalsContact O-N 3.12Å; L1710-T1730 HydrophobicContact CB-CG2 4.08Å; L1710-T1730 HydrophobicContact CD2-CG2 3.68Å; L1710-T1730 VanDerWaalsContact CD2-CG2 3.44Å; L1710-T1730 HydrophobicContact CG-CG2 4.43Å | ||
| 1711 | W | 84.2 | Confident | 65.5 | Low | 33.4 Ų | 33.4 | 67 Ų | 67 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.4 | 174.6 | -55.7 | -18 | 0 | 0 | 0 | 111 | L1690 E1709 I1723 W1724 L1746 V1783 I1786 D1787 V1788 | L1690-W1711 HydrophobicContact CB-CB 4.11Å; L1690-W1711 HydrophobicContact CD1-CB 4.09Å; L1690-W1711 HydrophobicContact CD1-CE3 4.32Å; L1690-W1711 HydrophobicContact CG-CB 4.42Å; L1690-W1711 PolarHBondContact N-O 3.23Å; E1709-W1711 WeakPolarHBondContact OE2-CZ2 3.37Å; W1711-I1723 HydrophobicContact CB-CG2 4.25Å; W1711-W1724 VanDerWaalsContact CA-O 3.32Å; W1711-W1724 WeakPolarHBondContact CA-O 3.31Å; W1711-L1746 VanDerWaalsContact CD1-CD1 3.46Å; W1711-L1746 HydrophobicContact CD2-CD1 3.98Å; W1711-L1746 HydrophobicContact CG-CD1 3.88Å; W1711-L1746 HydrophobicContact CZ2-CD1 4.42Å; W1711-V1783 HydrophobicContact CE3-CG1 4.17Å; W1711-V1783 HydrophobicContact CZ3-CG1 3.8Å; W1711-I1786 HydrophobicContact CH2-CB 4.27Å; W1711-I1786 HydrophobicContact CH2-CG2 4.29Å; W1711-I1786 HydrophobicContact CZ3-CB 4.39Å; W1711-I1786 HydrophobicContact CZ3-CD1 4.29Å; W1711-D1787 WeakPolarHBondContact CH2-OD1 3.22Å; W1711-V1788 HydrophobicContact CH2-CG2 4.21Å; W1711-V1788 HydrophobicContact CZ2-CB 4.47Å; W1711-V1788 HydrophobicContact CZ2-CG2 3.84Å |
| 1712 | L | 86.8 | Confident | 68 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133 | 175.6 | 176.6 | 73.4 | 0 | 0 | 0 | 108.9 | V1655 I1663 F1665 L1687 F1689 I1723 W1724 | V1655-L1712 HydrophobicContact CG1-CD1 4.46Å; V1655-L1712 HydrophobicContact CG1-CD2 3.87Å; V1655-L1712 HydrophobicContact CG2-CD2 4.49Å; I1663-L1712 HydrophobicContact CG2-CD2 3.93Å; F1665-L1712 HydrophobicContact CE1-CD2 4.09Å; F1665-L1712 HydrophobicContact CE2-CD2 4.24Å; F1665-L1712 HydrophobicContact CZ-CB 4.48Å; F1665-L1712 HydrophobicContact CZ-CD2 3.49Å; F1665-L1712 VanDerWaalsContact CZ-CD2 3.49Å; L1687-L1712 HydrophobicContact CB-CD1 4.38Å; L1687-L1712 HydrophobicContact CD2-CD1 4.34Å; L1687-L1712 HydrophobicContact CD2-CD2 4.25Å; L1687-L1712 HydrophobicContact CD2-CG 4.43Å; F1689-L1712 HydrophobicContact CD1-CB 4.31Å; F1689-L1712 HydrophobicContact CD1-CD1 3.91Å; F1689-L1712 HydrophobicContact CD2-CD1 4.43Å; F1689-L1712 HydrophobicContact CE1-CB 4.25Å; F1689-L1712 HydrophobicContact CE1-CD1 3.86Å; F1689-L1712 HydrophobicContact CE1-CG 4.45Å; F1689-L1712 HydrophobicContact CE2-CD1 4.4Å; F1689-L1712 HydrophobicContact CG-CD1 4.24Å; F1689-L1712 HydrophobicContact CZ-CD1 4.14Å; L1712-I1723 CarbonylContact O-C 3.55Å; L1712-I1723 WeakPolarHBondContact O-CA 3.21Å; L1712-W1724 HydrophobicContact CB-CB 4.43Å; L1712-W1724 PolarHBondContact N-O 3.09Å; L1712-W1724 VanDerWaalsContact O-CD1 3.31Å; L1712-W1724 PolarHBondContact O-N 3.24Å |
| 1713 | M | 88.6 | Confident | 70.4 | Confident | 0.2 Ų | 0.2 | 54.4 Ų | 54.4 | 0% | 0.001 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.4 | 169.1 | -177 | -179.9 | 53.3 | 0 | 0 | 110.4 | L1687 C1688 L1690 I1721 F1722 I1723 L1749 S1760 V1769 T1771 | L1687-M1713 CarbonylContact C-O 3.45Å; L1687-M1713 WeakPolarHBondContact CA-O 3.37Å; C1688-M1713 HydrophobicContact CB-CB 4.47Å; C1688-M1713 HydrophobicContact CB-CE 3.71Å; C1688-M1713 PolarHBondContact N-O 2.91Å; C1688-M1713 WeakPolarHBondContact O-CB 3.17Å; C1688-M1713 PolarHBondContact O-N 3.18Å; L1690-M1713 HydrophobicContact CD1-CB 4.43Å; L1690-M1713 HydrophobicContact CD2-CB 4.29Å; L1690-M1713 HydrophobicContact CD2-CE 4.43Å; L1690-M1713 HydrophobicContact CG-CB 4.37Å; M1713-I1721 HydrophobicContact CG-CG2 3.73Å; M1713-I1721 HydrophobicContact SD-CG2 3.88Å; M1713-F1722 CarbonylContact C-O 3.56Å; M1713-F1722 VanDerWaalsContact CA-O 3.29Å; M1713-F1722 WeakPolarHBondContact CA-O 3.43Å; M1713-I1723 HydrophobicContact CB-CG1 4.27Å; M1713-I1723 HydrophobicContact CG-CG1 4.31Å; M1713-L1749 HydrophobicContact SD-CD1 4.49Å; M1713-S1760 VanDerWaalsContact CE-CB 3.45Å; M1713-S1760 WeakPolarHBondContact CE-OG 3.33Å; M1713-V1769 HydrophobicContact CE-CB 4.46Å; M1713-V1769 HydrophobicContact CE-CG1 3.55Å; M1713-V1769 VanDerWaalsContact CE-CG1 3.47Å; M1713-V1769 HydrophobicContact CE-CG2 4.03Å; M1713-V1769 HydrophobicContact SD-CB 4.33Å; M1713-V1769 HydrophobicContact SD-CG1 3.45Å; M1713-V1769 VanDerWaalsContact SD-CG1 3.54Å; M1713-V1769 WeakPolarHBondContact SD-CG1 3.49Å; M1713-V1769 HydrophobicContact SD-CG2 3.94Å; M1713-T1771 HydrophobicContact SD-CG2 4.44Å |
| 1714 | S | 89.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.3 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | I1663 H1680 S1686 I1721 F1722 W1724 | I1663-S1714 VanDerWaalsContact CD1-CB 3.44Å; I1663-S1714 VanDerWaalsContact CD1-OG 3.28Å; I1663-S1714 WeakPolarHBondContact CD1-OG 3.33Å; H1680-S1714 PolarHBondContact CD2-OG 3.4Å; H1680-S1714 WeakPolarHBondContact NE2-CB 3.34Å; H1680-S1714 PolarHBondContact NE2-O 3.1Å; H1680-S1714 PolarHBondContact NE2-OG 3.09Å; S1686-S1714 CarbonylContact O-C 3.58Å; S1686-S1714 WeakPolarHBondContact O-CA 3.33Å; S1714-I1721 CarbonylContact O-C 3.56Å; S1714-I1721 VanDerWaalsContact O-CA 3.27Å; S1714-I1721 WeakPolarHBondContact O-CA 3.39Å; S1714-I1721 VanDerWaalsContact O-CG2 3.3Å; S1714-I1721 WeakPolarHBondContact O-CG2 3.33Å; S1714-F1722 PolarHBondContact N-O 3.2Å; S1714-F1722 PolarHBondContact O-N 2.95Å; S1714-F1722 VanDerWaalsContact O-N 3.12Å; S1714-W1724 PolarHBondContact OG-NE1 3.24Å |
| 1715 | A | 89.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1684 Q1685 S1686 I1721 V1757 | V1684-A1715 CarbonylContact C-O 3.57Å; Q1685-A1715 PolarHBondContact N-O 2.83Å; S1686-A1715 PolarHBondContact N-O 3.12Å; S1686-A1715 VanDerWaalsContact N-O 3.16Å; S1686-A1715 PolarHBondContact O-N 3.32Å; S1686-A1715 WeakPolarHBondContact OG-CB 3.17Å; A1715-I1721 HydrophobicContact CB-CG1 4.12Å; A1715-I1721 HydrophobicContact CB-CG2 4.35Å; A1715-V1757 HydrophobicContact CB-CB 4.02Å; A1715-V1757 HydrophobicContact CB-CG1 3.68Å |
| 1716 | S | 87.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.1 | -168.5 | 169.1 | 0 | 0 | 0 | 0 | 113.3 | H1680 S1682 S1683 D1718 G1719 D1720 V1757 | H1680-S1716 VanDerWaalsContact CG-CB 3.46Å; H1680-S1716 WeakPolarHBondContact ND1-CB 3.43Å; S1682-S1716 PolarHBondContact O-OG 3.22Å; S1682-S1716 VanDerWaalsContact O-OG 3.05Å; S1683-S1716 CarbonylContact O-C 3.4Å; S1683-S1716 VanDerWaalsContact O-CA 3.29Å; S1683-S1716 WeakPolarHBondContact O-CA 3.34Å; S1683-S1716 WeakPolarHBondContact O-CB 3.43Å; S1683-S1716 PolarHBondContact O-OG 3.02Å; S1716-D1718 WeakPolarHBondContact CB-OD1 3.34Å; S1716-D1718 PolarHBondContact O-N 3.08Å; S1716-D1718 VanDerWaalsContact OG-CG 3.25Å; S1716-D1718 PolarHBondContact OG-N 2.96Å; S1716-D1718 PolarHBondContact OG-OD1 2.79Å; S1716-D1718 PolarHBondContact OG-OD2 3.23Å; S1716-D1718 VanDerWaalsContact OG-OD2 3.07Å; S1716-G1719 PolarHBondContact O-N 3.04Å; S1716-D1720 PolarHBondContact N-O 3.26Å; S1716-D1720 VanDerWaalsContact N-O 3.13Å; S1716-V1757 PolarHBondContact O-N 3.07Å; S1716-V1757 VanDerWaalsContact O-N 3.13Å |
| 1717 | E | 84.3 | Confident | 79 | Confident | 57.8 Ų | 57.8 | 26.7 Ų | 26.7 | 27% | 0.27 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | 171 | -121.1 | 173 | -165 | 0 | 0 | 114 | S1682 S1683 Q1685 G1719 C1756 I1924 Q1927 | S1682-E1717 WeakPolarHBondContact OG-CB 3.3Å; S1682-E1717 PolarHBondContact OG-OE2 3.23Å; S1682-E1717 VanDerWaalsContact OG-OE2 3.04Å; S1683-E1717 VanDerWaalsContact CB-CD 3.41Å; S1683-E1717 VanDerWaalsContact CB-OE1 3.23Å; S1683-E1717 WeakPolarHBondContact CB-OE1 3.32Å; S1683-E1717 WeakPolarHBondContact CB-OE2 3.35Å; S1683-E1717 PolarHBondContact O-N 3.17Å; S1683-E1717 PolarHBondContact OG-OE1 3.15Å; Q1685-E1717 HydrophobicContact CG-CB 4.45Å; Q1685-E1717 HydrophobicContact CG-CG 3.89Å; Q1685-E1717 VanDerWaalsContact NE2-CD 3.32Å; Q1685-E1717 VanDerWaalsContact NE2-CG 3.25Å; Q1685-E1717 PolarHBondContact NE2-OE1 3.13Å; E1717-G1719 PolarHBondContact O-N 3.11Å; E1717-G1719 VanDerWaalsContact O-N 3.17Å; E1717-C1756 VanDerWaalsContact CA-SG 3.55Å; E1717-C1756 HydrophobicContact CB-CB 4.29Å; E1717-C1756 HydrophobicContact CG-CB 4.1Å; E1717-C1756 VanDerWaalsContact CG-SG 3.59Å; E1717-C1756 VanDerWaalsContact O-CA 3.28Å; E1717-C1756 WeakPolarHBondContact O-CA 3.18Å; E1717-C1756 WeakPolarHBondContact O-CB 3.41Å; E1717-I1924 VanDerWaalsContact CD-CD1 3.48Å; E1717-I1924 HydrophobicContact CG-CD1 3.71Å; E1717-I1924 VanDerWaalsContact OE1-CD1 3.25Å; E1717-I1924 WeakPolarHBondContact OE1-CD1 3.35Å; E1717-Q1927 PolarHBondContact OE1-NE2 2.99Å |
| 1718 | D | 82.3 | Confident | 80.2 | Confident | 50.4 Ų | 50.4 | 24.1 Ų | 24.1 | 27% | 0.27 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.2 | 175.3 | 41 | 8.8 | 0 | 0 | 0 | 113.6 | H1680 H1681 S1682 S1716 D1720 | H1680-D1718 WeakPolarHBondContact CA-OD2 3.29Å; H1680-D1718 WeakPolarHBondContact CB-OD2 3.31Å; H1680-D1718 IonicContact CG-OD2 2.86Å; H1680-D1718 IonicContact ND1-OD1 3.55Å; H1680-D1718 PolarHBondContact ND1-OD1 3.13Å; H1680-D1718 IonicContact ND1-OD2 2.86Å; H1680-D1718 PolarHBondContact ND1-OD2 3.25Å; H1681-D1718 WeakPolarHBondContact CA-OD2 3.25Å; H1681-D1718 HydrophobicContact CB-CB 4.34Å; H1681-D1718 PolarHBondContact N-OD2 3.08Å; H1681-D1718 IonicContact ND1-OD2 3.89Å; S1682-D1718 VanDerWaalsContact CB-CG 3.46Å; S1682-D1718 WeakPolarHBondContact CB-OD1 3.49Å; S1682-D1718 PolarHBondContact N-OD1 3.28Å; S1682-D1718 PolarHBondContact N-OD2 2.74Å; S1716-D1718 WeakPolarHBondContact CB-OD1 3.34Å; S1716-D1718 PolarHBondContact O-N 3.08Å; S1716-D1718 VanDerWaalsContact OG-CG 3.25Å; S1716-D1718 PolarHBondContact OG-N 2.96Å; S1716-D1718 PolarHBondContact OG-OD1 2.79Å; S1716-D1718 PolarHBondContact OG-OD2 3.23Å; S1716-D1718 VanDerWaalsContact OG-OD2 3.07Å; D1718-D1720 VanDerWaalsContact C-N 3.3Å; D1718-D1720 HydrophobicContact CB-CB 4.48Å; D1718-D1720 WeakPolarHBondContact OD1-CA 3.12Å; D1718-D1720 VanDerWaalsContact OD1-CB 3.32Å; D1718-D1720 WeakPolarHBondContact OD1-CB 3.27Å; D1718-D1720 PolarHBondContact OD1-N 3.26Å |
| 1719 | G | 81.5 | Confident | 80.8 | Confident | 3.8 Ų | 3.8 | 20.3 Ų | 20.3 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 87.8 | -1.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1716 E1717 R1755 | S1716-G1719 PolarHBondContact O-N 3.04Å; E1717-G1719 PolarHBondContact O-N 3.11Å; E1717-G1719 VanDerWaalsContact O-N 3.17Å; G1719-R1755 WeakPolarHBondContact CA-O 3.46Å |
| 1720 | D | 85.6 | Confident | 80.8 | Confident | 39.6 Ų | 39.6 | 16.1 Ų | 16.1 | 21% | 0.212 | 9% | 0.085 | C | C | . | . | trans | -93.1 | 148.5 | -179.1 | -69.8 | -33.2 | 0 | 0 | 0 | 111.8 | H1680 S1716 D1718 F1722 C1750 | H1680-D1720 PolarHBondContact CE1-O 3.3Å; H1680-D1720 VanDerWaalsContact CE1-O 3.29Å; S1716-D1720 PolarHBondContact N-O 3.26Å; S1716-D1720 VanDerWaalsContact N-O 3.13Å; D1718-D1720 VanDerWaalsContact C-N 3.3Å; D1718-D1720 HydrophobicContact CB-CB 4.48Å; D1718-D1720 WeakPolarHBondContact OD1-CA 3.12Å; D1718-D1720 VanDerWaalsContact OD1-CB 3.32Å; D1718-D1720 WeakPolarHBondContact OD1-CB 3.27Å; D1718-D1720 PolarHBondContact OD1-N 3.26Å; D1720-F1722 HydrophobicContact CB-CE1 4.32Å; D1720-F1722 HydrophobicContact CB-CE2 4.32Å; D1720-F1722 HydrophobicContact CB-CZ 3.93Å; D1720-C1750 WeakPolarHBondContact CB-SG 3.11Å; D1720-C1750 VanDerWaalsContact CG-SG 3.52Å; D1720-C1750 WeakPolarHBondContact OD1-CA 3.46Å; D1720-C1750 VanDerWaalsContact OD1-CB 3.3Å; D1720-C1750 WeakPolarHBondContact OD1-CB 3.29Å; D1720-C1750 PolarHBondContact OD1-SG 3.05Å | ||
| 1721 | I | 87.4 | Confident | 80.3 | Confident | 0.2 Ų | 0.2 | 19.3 Ų | 19.3 | 0% | 0.001 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.1 | 175.8 | -54 | 156.5 | 0 | 0 | 0 | 107.8 | M1713 S1714 A1715 L1749 H1753 V1757 T1771 W1781 | M1713-I1721 HydrophobicContact CG-CG2 3.73Å; M1713-I1721 HydrophobicContact SD-CG2 3.88Å; S1714-I1721 CarbonylContact O-C 3.56Å; S1714-I1721 VanDerWaalsContact O-CA 3.27Å; S1714-I1721 WeakPolarHBondContact O-CA 3.39Å; S1714-I1721 VanDerWaalsContact O-CG2 3.3Å; S1714-I1721 WeakPolarHBondContact O-CG2 3.33Å; A1715-I1721 HydrophobicContact CB-CG1 4.12Å; A1715-I1721 HydrophobicContact CB-CG2 4.35Å; I1721-L1749 HydrophobicContact CB-CB 4.1Å; I1721-L1749 HydrophobicContact CB-CD1 4.11Å; I1721-L1749 HydrophobicContact CB-CG 4.39Å; I1721-L1749 HydrophobicContact CD1-CB 4.41Å; I1721-L1749 HydrophobicContact CD1-CD1 4.49Å; I1721-L1749 HydrophobicContact CG2-CB 4.28Å; I1721-L1749 HydrophobicContact CG2-CD1 3.78Å; I1721-L1749 HydrophobicContact CG2-CG 4.35Å; I1721-L1749 WeakPolarHBondContact O-CD1 3.39Å; I1721-L1749 PolarHBondContact O-N 2.97Å; I1721-H1753 VanDerWaalsContact CD1-CD2 3.42Å; I1721-H1753 WeakPolarHBondContact CD1-CD2 2.91Å; I1721-H1753 VanDerWaalsContact CD1-NE2 3.34Å; I1721-H1753 WeakPolarHBondContact CD1-NE2 3.23Å; I1721-V1757 HydrophobicContact CD1-CG1 4.24Å; I1721-V1757 HydrophobicContact CD1-CG2 4.19Å; I1721-V1757 HydrophobicContact CG1-CB 4.48Å; I1721-V1757 HydrophobicContact CG1-CG1 4.25Å; I1721-V1757 HydrophobicContact CG1-CG2 4.12Å; I1721-T1771 HydrophobicContact CD1-CG2 3.61Å; I1721-T1771 VanDerWaalsContact CD1-CG2 3.48Å; I1721-T1771 HydrophobicContact CG1-CG2 4.26Å; I1721-W1781 HydrophobicContact CD1-CZ2 4.23Å |
| 1722 | F | 86.9 | Confident | 79.1 | Confident | 17 Ų | 17 | 19.1 Ų | 19.1 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.7 | -179.5 | -60.5 | -45.3 | 0 | 0 | 0 | 111.1 | G1679 H1680 M1713 S1714 D1720 W1724 Q1745 C1750 | G1679-F1722 WeakPolarHBondContact O-CE2 3.45Å; H1680-F1722 AromaticContact CD2-CD2 3.95Å; H1680-F1722 AromaticContact CE1-CD2 3.22Å; H1680-F1722 WeakPolarHBondContact CE1-CD2 3.32Å; H1680-F1722 AromaticContact CE1-CE2 3.54Å; H1680-F1722 VanDerWaalsContact CE1-CE2 3.46Å; H1680-F1722 WeakPolarHBondContact CE1-CE2 3.36Å; H1680-F1722 AromaticContact CE1-CG 3.96Å; H1680-F1722 AromaticContact ND1-CD2 3.62Å; H1680-F1722 AromaticContact ND1-CE2 3.47Å; H1680-F1722 WeakPolarHBondContact ND1-CE2 3.33Å; H1680-F1722 AromaticContact NE2-CD2 3.52Å; H1680-F1722 WeakPolarHBondContact NE2-CD2 3.45Å; M1713-F1722 CarbonylContact C-O 3.56Å; M1713-F1722 VanDerWaalsContact CA-O 3.29Å; M1713-F1722 WeakPolarHBondContact CA-O 3.43Å; S1714-F1722 PolarHBondContact N-O 3.2Å; S1714-F1722 PolarHBondContact O-N 2.95Å; S1714-F1722 VanDerWaalsContact O-N 3.12Å; D1720-F1722 HydrophobicContact CB-CE1 4.32Å; D1720-F1722 HydrophobicContact CB-CE2 4.32Å; D1720-F1722 HydrophobicContact CB-CZ 3.93Å; F1722-W1724 HydrophobicContact CB-CD2 4.44Å; F1722-W1724 HydrophobicContact CB-CH2 4.49Å; F1722-W1724 HydrophobicContact CB-CZ2 3.73Å; F1722-W1724 HydrophobicContact CD2-CH2 4.37Å; F1722-W1724 AromaticContact CD2-CZ2 3.71Å; F1722-W1724 HydrophobicContact CD2-CZ2 3.71Å; F1722-W1724 AromaticContact CG-CZ2 3.95Å; F1722-W1724 HydrophobicContact CG-CZ2 4.04Å; F1722-Q1745 VanDerWaalsContact CE1-NE2 3.33Å; F1722-C1750 WeakPolarHBondContact CE1-SG 3.42Å |
| 1723 | I | 86.4 | Confident | 77.6 | Confident | 0.4 Ų | 0.4 | 20.6 Ų | 20.6 | 0% | 0.002 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.6 | 169.4 | -59.8 | 174.8 | 0 | 0 | 0 | 107.8 | L1690 W1711 L1712 M1713 Q1745 L1746 A1747 L1749 V1783 I1786 L1802 | L1690-I1723 HydrophobicContact CD1-CD1 4.21Å; L1690-I1723 HydrophobicContact CD1-CG1 4.23Å; L1690-I1723 HydrophobicContact CD1-CG2 3.93Å; W1711-I1723 HydrophobicContact CB-CG2 4.25Å; L1712-I1723 CarbonylContact O-C 3.55Å; L1712-I1723 WeakPolarHBondContact O-CA 3.21Å; M1713-I1723 HydrophobicContact CB-CG1 4.27Å; M1713-I1723 HydrophobicContact CG-CG1 4.31Å; I1723-Q1745 CarbonylContact O-C 3.54Å; I1723-L1746 HydrophobicContact CG2-CB 4.39Å; I1723-L1746 HydrophobicContact CG2-CD1 4.32Å; I1723-L1746 PolarHBondContact O-N 3.13Å; I1723-A1747 HydrophobicContact CB-CB 4.19Å; I1723-A1747 HydrophobicContact CD1-CB 4.28Å; I1723-A1747 HydrophobicContact CG1-CB 4.42Å; I1723-A1747 PolarHBondContact N-O 2.94Å; I1723-A1747 VanDerWaalsContact N-O 3.11Å; I1723-A1747 PolarHBondContact O-N 3.1Å; I1723-L1749 HydrophobicContact CD1-CD1 4.01Å; I1723-L1749 HydrophobicContact CD1-CD2 4.39Å; I1723-L1749 HydrophobicContact CG1-CD1 3.89Å; I1723-V1783 HydrophobicContact CD1-CG2 4.36Å; I1723-I1786 HydrophobicContact CD1-CD1 3.94Å; I1723-I1786 HydrophobicContact CG2-CD1 4.47Å; I1723-L1802 HydrophobicContact CD1-CD1 4.25Å |
| 1724 | W | 84.8 | Confident | 76.1 | Confident | 12.6 Ų | 12.6 | 26.1 Ų | 26.1 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | -174.3 | -52.1 | 92.6 | 0 | 0 | 0 | 110.5 | M1627 I1663 L1677 W1711 L1712 S1714 F1722 A1726 I1743 S1744 Q1745 | M1627-W1724 HydrophobicContact CE-CE3 4.47Å; M1627-W1724 HydrophobicContact CE-CH2 4.02Å; M1627-W1724 HydrophobicContact CE-CZ3 3.49Å; M1627-W1724 VanDerWaalsContact CE-CZ3 3.49Å; I1663-W1724 HydrophobicContact CD1-CZ2 4.27Å; L1677-W1724 HydrophobicContact CD1-CB 4.32Å; L1677-W1724 HydrophobicContact CD1-CD2 3.88Å; L1677-W1724 HydrophobicContact CD1-CE3 3.93Å; L1677-W1724 HydrophobicContact CD1-CG 4.14Å; L1677-W1724 HydrophobicContact CD1-CZ3 4.38Å; L1677-W1724 HydrophobicContact CD2-CD2 4.32Å; L1677-W1724 HydrophobicContact CD2-CE3 3.7Å; L1677-W1724 HydrophobicContact CD2-CH2 4.49Å; L1677-W1724 HydrophobicContact CD2-CZ3 3.78Å; L1677-W1724 HydrophobicContact CG-CE3 4.38Å; W1711-W1724 VanDerWaalsContact CA-O 3.32Å; W1711-W1724 WeakPolarHBondContact CA-O 3.31Å; L1712-W1724 HydrophobicContact CB-CB 4.43Å; L1712-W1724 PolarHBondContact N-O 3.09Å; L1712-W1724 VanDerWaalsContact O-CD1 3.31Å; L1712-W1724 PolarHBondContact O-N 3.24Å; S1714-W1724 PolarHBondContact OG-NE1 3.24Å; F1722-W1724 HydrophobicContact CB-CD2 4.44Å; F1722-W1724 HydrophobicContact CB-CH2 4.49Å; F1722-W1724 HydrophobicContact CB-CZ2 3.73Å; F1722-W1724 HydrophobicContact CD2-CH2 4.37Å; F1722-W1724 AromaticContact CD2-CZ2 3.71Å; F1722-W1724 HydrophobicContact CD2-CZ2 3.71Å; F1722-W1724 AromaticContact CG-CZ2 3.95Å; F1722-W1724 HydrophobicContact CG-CZ2 4.04Å; W1724-A1726 PolarHBondContact O-N 3.27Å; W1724-I1743 HydrophobicContact CB-CG2 4.29Å; W1724-I1743 HydrophobicContact CE3-CG2 4.38Å; W1724-S1744 WeakPolarHBondContact CA-O 3.48Å; W1724-Q1745 HydrophobicContact CE3-CB 4.1Å; W1724-Q1745 HydrophobicContact CE3-CG 4.43Å; W1724-Q1745 HydrophobicContact CZ3-CB 3.99Å; W1724-Q1745 HydrophobicContact CZ3-CG 4.36Å |
| 1725 | D | 80.5 | Confident | 74.5 | Confident | 34.6 Ų | 34.6 | 32.3 Ų | 32.3 | 19% | 0.185 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 105.1 | 168.7 | -173.5 | 4.7 | 0 | 0 | 0 | 110.6 | S1727 I1743 S1744 L1746 | D1725-S1727 VanDerWaalsContact CG-OG 3.25Å; D1725-S1727 VanDerWaalsContact OD1-CB 3.23Å; D1725-S1727 WeakPolarHBondContact OD1-CB 3.24Å; D1725-S1727 PolarHBondContact OD1-N 3Å; D1725-S1727 VanDerWaalsContact OD1-N 3.08Å; D1725-S1727 PolarHBondContact OD1-OG 3.13Å; D1725-S1727 PolarHBondContact OD2-OG 3.16Å; D1725-S1727 VanDerWaalsContact OD2-OG 3.13Å; D1725-I1743 WeakPolarHBondContact O-CG2 3.35Å; D1725-S1744 PolarHBondContact N-O 3.02Å; D1725-L1746 HydrophobicContact CB-CD1 3.81Å; D1725-L1746 HydrophobicContact CB-CD2 4Å; D1725-L1746 HydrophobicContact CB-CG 3.79Å |
| 1726 | A | 75.7 | Confident | 72.7 | Confident | 0.2 Ų | 0.2 | 38.3 Ų | 38.3 | 0% | 0.002 | 19% | 0.191 | C | C | . | . | trans | -101.9 | 11 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1665 L1710 W1724 T1728 V1729 | F1665-A1726 HydrophobicContact CE1-CB 3.89Å; F1665-A1726 HydrophobicContact CZ-CB 4.17Å; L1710-A1726 HydrophobicContact CD2-CB 4.07Å; L1710-A1726 HydrophobicContact CG-CB 4.21Å; L1710-A1726 CarbonylContact O-C 3.52Å; L1710-A1726 VanDerWaalsContact O-C 3.28Å; L1710-A1726 VanDerWaalsContact O-CA 3.28Å; L1710-A1726 WeakPolarHBondContact O-CA 3.38Å; L1710-A1726 WeakPolarHBondContact O-CB 3.37Å; L1710-A1726 PolarHBondContact O-N 3.25Å; W1724-A1726 PolarHBondContact O-N 3.27Å; A1726-T1728 VanDerWaalsContact C-N 3.27Å; A1726-T1728 PolarHBondContact O-N 3.08Å; A1726-V1729 HydrophobicContact CB-CG2 4.23Å; A1726-V1729 VanDerWaalsContact O-CB 3.32Å; A1726-V1729 WeakPolarHBondContact O-CB 3.27Å; A1726-V1729 PolarHBondContact O-N 3.06Å; A1726-V1729 VanDerWaalsContact O-N 3.12Å | ||
| 1727 | S | 72.2 | Confident | 70.9 | Confident | 19.6 Ų | 19.6 | 41.5 Ų | 41.5 | 14% | 0.137 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -36.2 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | S1708 L1710 D1725 V1729 T1730 H1731 | S1708-S1727 WeakPolarHBondContact O-CB 3.34Å; L1710-S1727 PolarHBondContact O-N 2.99Å; L1710-S1727 VanDerWaalsContact O-N 3.12Å; D1725-S1727 VanDerWaalsContact CG-OG 3.25Å; D1725-S1727 VanDerWaalsContact OD1-CB 3.23Å; D1725-S1727 WeakPolarHBondContact OD1-CB 3.24Å; D1725-S1727 PolarHBondContact OD1-N 3Å; D1725-S1727 VanDerWaalsContact OD1-N 3.08Å; D1725-S1727 PolarHBondContact OD1-OG 3.13Å; D1725-S1727 PolarHBondContact OD2-OG 3.16Å; D1725-S1727 VanDerWaalsContact OD2-OG 3.13Å; S1727-V1729 VanDerWaalsContact C-N 3.28Å; S1727-V1729 PolarHBondContact O-N 2.82Å; S1727-T1730 WeakPolarHBondContact O-CB 3.4Å; S1727-T1730 PolarHBondContact O-N 2.98Å; S1727-T1730 VanDerWaalsContact O-N 3.12Å; S1727-T1730 PolarHBondContact O-OG1 3.21Å; S1727-H1731 PolarHBondContact O-N 3.22Å |
| 1728 | T | 66.1 | Low | 69.1 | Low | 33.6 Ų | 33.6 | 45.9 Ų | 45.9 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -29.1 | 178.2 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | A1726 T1730 H1731 N1732 T1741 | A1726-T1728 VanDerWaalsContact C-N 3.27Å; A1726-T1728 PolarHBondContact O-N 3.08Å; T1728-T1730 VanDerWaalsContact C-N 3.32Å; T1728-T1730 PolarHBondContact O-N 2.93Å; T1728-H1731 PolarHBondContact O-N 3.21Å; T1728-N1732 PolarHBondContact O-N 2.91Å; T1728-N1732 VanDerWaalsContact O-N 3.13Å; T1728-T1741 HydrophobicContact CG2-CG2 4.41Å; T1728-T1741 VanDerWaalsContact CG2-OG1 3.24Å; T1728-T1741 WeakPolarHBondContact CG2-OG1 3.06Å |
| 1729 | V | 64.9 | Low | 67.3 | Low | 3.2 Ų | 3.2 | 49 Ų | 49 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 179.9 | -176 | 0 | 0 | 0 | 0 | 110.6 | V1653 F1665 L1674 A1726 S1727 H1731 N1732 V1733 I1743 | V1653-V1729 HydrophobicContact CG1-CG1 4.42Å; V1653-V1729 HydrophobicContact CG2-CG1 4.17Å; F1665-V1729 HydrophobicContact CB-CG1 4.45Å; F1665-V1729 HydrophobicContact CD1-CG1 4.33Å; F1665-V1729 HydrophobicContact CD1-CG2 4.28Å; F1665-V1729 HydrophobicContact CE1-CG2 4.31Å; F1665-V1729 HydrophobicContact CG-CG1 4.46Å; L1674-V1729 HydrophobicContact CB-CG1 4.14Å; L1674-V1729 HydrophobicContact CD1-CG1 3.86Å; L1674-V1729 HydrophobicContact CG-CG1 4.5Å; A1726-V1729 HydrophobicContact CB-CG2 4.23Å; A1726-V1729 VanDerWaalsContact O-CB 3.32Å; A1726-V1729 WeakPolarHBondContact O-CB 3.27Å; A1726-V1729 PolarHBondContact O-N 3.06Å; A1726-V1729 VanDerWaalsContact O-N 3.12Å; S1727-V1729 VanDerWaalsContact C-N 3.28Å; S1727-V1729 PolarHBondContact O-N 2.82Å; V1729-H1731 VanDerWaalsContact C-N 3.33Å; V1729-H1731 PolarHBondContact O-N 3.1Å; V1729-N1732 PolarHBondContact O-N 3.23Å; V1729-V1733 WeakPolarHBondContact O-CG2 3.44Å; V1729-V1733 PolarHBondContact O-N 3.18Å; V1729-I1743 HydrophobicContact CG2-CD1 3.81Å; V1729-I1743 HydrophobicContact CG2-CG1 4.24Å |
| 1730 | T | 61.8 | Low | 65.6 | Low | 18.8 Ų | 18.8 | 58.5 Ų | 58.5 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.2 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | A1651 I1707 L1710 S1727 T1728 N1732 V1733 E1734 | A1651-T1730 HydrophobicContact CB-CG2 4.1Å; I1707-T1730 HydrophobicContact CG2-CG2 4.02Å; I1707-T1730 VanDerWaalsContact CG2-OG1 3.29Å; I1707-T1730 WeakPolarHBondContact CG2-OG1 3.38Å; L1710-T1730 HydrophobicContact CB-CG2 4.08Å; L1710-T1730 HydrophobicContact CD2-CG2 3.68Å; L1710-T1730 VanDerWaalsContact CD2-CG2 3.44Å; L1710-T1730 HydrophobicContact CG-CG2 4.43Å; S1727-T1730 WeakPolarHBondContact O-CB 3.4Å; S1727-T1730 PolarHBondContact O-N 2.98Å; S1727-T1730 VanDerWaalsContact O-N 3.12Å; S1727-T1730 PolarHBondContact O-OG1 3.21Å; T1728-T1730 VanDerWaalsContact C-N 3.32Å; T1728-T1730 PolarHBondContact O-N 2.93Å; T1730-N1732 VanDerWaalsContact C-N 3.31Å; T1730-N1732 PolarHBondContact O-N 3.05Å; T1730-V1733 PolarHBondContact O-N 3.1Å; T1730-E1734 WeakPolarHBondContact O-CG 3.19Å; T1730-E1734 PolarHBondContact O-N 2.87Å; T1730-E1734 VanDerWaalsContact O-N 3.12Å |
| 1731 | H | 60 | Low | 63.8 | Low | 80.8 Ų | 80.8 | 58.6 Ų | 58.6 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 176.3 | -99.8 | -55.1 | 0 | 0 | 0 | 112.4 | S1727 T1728 V1729 V1733 E1734 Y1735 | S1727-H1731 PolarHBondContact O-N 3.22Å; T1728-H1731 PolarHBondContact O-N 3.21Å; V1729-H1731 VanDerWaalsContact C-N 3.33Å; V1729-H1731 PolarHBondContact O-N 3.1Å; H1731-V1733 VanDerWaalsContact C-N 3.33Å; H1731-V1733 PolarHBondContact O-N 3.22Å; H1731-E1734 PolarHBondContact O-N 3.1Å; H1731-Y1735 AromaticContact CD2-CD2 3.71Å; H1731-Y1735 AromaticContact CD2-CE2 3.81Å; H1731-Y1735 AromaticContact CE1-CD2 3.46Å; H1731-Y1735 VanDerWaalsContact CE1-CD2 3.46Å; H1731-Y1735 WeakPolarHBondContact CE1-CD2 3.36Å; H1731-Y1735 AromaticContact CE1-CE2 3.81Å; H1731-Y1735 AromaticContact CE1-CG 3.9Å; H1731-Y1735 AromaticContact CG-CD2 3.91Å; H1731-Y1735 AromaticContact ND1-CD2 3.73Å; H1731-Y1735 AromaticContact ND1-CE2 3.55Å; H1731-Y1735 WeakPolarHBondContact ND1-CE2 3.29Å; H1731-Y1735 AromaticContact NE2-CD2 3.42Å; H1731-Y1735 WeakPolarHBondContact NE2-CD2 3.28Å; H1731-Y1735 AromaticContact NE2-CE2 3.59Å; H1731-Y1735 WeakPolarHBondContact O-CB 3.45Å; H1731-Y1735 WeakPolarHBondContact O-CD2 3.33Å; H1731-Y1735 PolarHBondContact O-N 3.02Å |
| 1732 | N | 58.6 | Low | 62.1 | Low | 28.6 Ų | 28.6 | 64.1 Ų | 64.1 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.8 | -77.6 | -15 | 0 | 0 | 0 | 112.4 | T1728 V1729 T1730 E1734 N1736 V1737 T1741 | T1728-N1732 PolarHBondContact O-N 2.91Å; T1728-N1732 VanDerWaalsContact O-N 3.13Å; V1729-N1732 PolarHBondContact O-N 3.23Å; T1730-N1732 VanDerWaalsContact C-N 3.31Å; T1730-N1732 PolarHBondContact O-N 3.05Å; N1732-E1734 VanDerWaalsContact C-N 3.33Å; N1732-N1736 WeakPolarHBondContact O-CA 3.29Å; N1732-N1736 PolarHBondContact O-N 3.25Å; N1732-V1737 PolarHBondContact OD1-O 3.01Å; N1732-T1741 WeakPolarHBondContact ND2-CG2 3.24Å; N1732-T1741 PolarHBondContact ND2-OG1 3.17Å; N1732-T1741 WeakPolarHBondContact OD1-CG2 3.34Å |
| 1733 | V | 56.9 | Low | 60.8 | Low | 31.6 Ų | 31.6 | 64.2 Ų | 64.2 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | V1653 E1667 L1674 V1729 T1730 H1731 | V1653-V1733 HydrophobicContact CG2-CG2 4.35Å; E1667-V1733 HydrophobicContact CG-CG1 4.39Å; E1667-V1733 HydrophobicContact CG-CG2 4.39Å; L1674-V1733 HydrophobicContact CD1-CG2 3.83Å; L1674-V1733 HydrophobicContact CD2-CG2 4.29Å; V1729-V1733 WeakPolarHBondContact O-CG2 3.44Å; V1729-V1733 PolarHBondContact O-N 3.18Å; T1730-V1733 PolarHBondContact O-N 3.1Å; H1731-V1733 VanDerWaalsContact C-N 3.33Å; H1731-V1733 PolarHBondContact O-N 3.22Å |
| 1734 | E | 56.2 | Low | 59.8 | Low | 114.6 Ų | 114.6 | 66.3 Ų | 66.3 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77.2 | -36.8 | 179.7 | -73.1 | -163.2 | 157.4 | 0 | 0 | 113.8 | K1652 K1705 I1707 T1730 H1731 N1732 | K1652-E1734 IonicContact NZ-OE1 3.28Å; K1652-E1734 PolarHBondContact NZ-OE1 3.32Å; K1705-E1734 VanDerWaalsContact NZ-CD 3.26Å; K1705-E1734 IonicContact NZ-OE1 2.73Å; K1705-E1734 PolarHBondContact NZ-OE1 2.63Å; K1705-E1734 IonicContact NZ-OE2 2.85Å; K1705-E1734 PolarHBondContact NZ-OE2 3.17Å; I1707-E1734 WeakPolarHBondContact CD1-OE2 3.38Å; T1730-E1734 WeakPolarHBondContact O-CG 3.19Å; T1730-E1734 PolarHBondContact O-N 2.87Å; T1730-E1734 VanDerWaalsContact O-N 3.12Å; H1731-E1734 PolarHBondContact O-N 3.1Å; N1732-E1734 VanDerWaalsContact C-N 3.33Å |
| 1735 | Y | 54.8 | Low | 59 | Low | 130 Ų | 130 | 68.6 Ų | 68.6 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -108.8 | -3.8 | -171.1 | -66.8 | -83 | 0 | 0 | 0 | 114.9 | K1705 I1707 H1731 V1737 | K1705-Y1735 WeakPolarHBondContact CE-OH 3.35Å; K1705-Y1735 PolarHBondContact NZ-OH 3.27Å; I1707-Y1735 HydrophobicContact CD1-CE2 4.44Å; H1731-Y1735 AromaticContact CD2-CD2 3.71Å; H1731-Y1735 AromaticContact CD2-CE2 3.81Å; H1731-Y1735 AromaticContact CE1-CD2 3.46Å; H1731-Y1735 VanDerWaalsContact CE1-CD2 3.46Å; H1731-Y1735 WeakPolarHBondContact CE1-CD2 3.36Å; H1731-Y1735 AromaticContact CE1-CE2 3.81Å; H1731-Y1735 AromaticContact CE1-CG 3.9Å; H1731-Y1735 AromaticContact CG-CD2 3.91Å; H1731-Y1735 AromaticContact ND1-CD2 3.73Å; H1731-Y1735 AromaticContact ND1-CE2 3.55Å; H1731-Y1735 WeakPolarHBondContact ND1-CE2 3.29Å; H1731-Y1735 AromaticContact NE2-CD2 3.42Å; H1731-Y1735 WeakPolarHBondContact NE2-CD2 3.28Å; H1731-Y1735 AromaticContact NE2-CE2 3.59Å; H1731-Y1735 WeakPolarHBondContact O-CB 3.45Å; H1731-Y1735 WeakPolarHBondContact O-CD2 3.33Å; H1731-Y1735 PolarHBondContact O-N 3.02Å; Y1735-V1737 WeakPolarHBondContact O-CG2 3.42Å; Y1735-V1737 PolarHBondContact O-N 3.21Å; Y1735-V1737 VanDerWaalsContact O-N 3.12Å |
| 1736 | N | 51.7 | Low | 58.6 | Low | 126.6 Ų | 126.6 | 68.5 Ų | 68.5 | 68% | 0.677 | 35% | 0.35 | S | S | * | . | trans | 51.6 | 31 | -175.7 | -78.9 | -28.6 | 0 | 0 | 0 | 113.4 | N1732 H1738 | N1732-N1736 WeakPolarHBondContact O-CA 3.29Å; N1732-N1736 PolarHBondContact O-N 3.25Å; N1736-H1738 PolarHBondContact O-N 2.82Å | ||
| 1737 | V | 49.9 | Very low | 58.5 | Low | 67.8 Ų | 67.8 | 68.5 Ų | 68.5 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | trans | -93.1 | 118.2 | 177.9 | -178 | 0 | 0 | 0 | 0 | 108.7 | N1732 Y1735 D1739 | N1732-V1737 PolarHBondContact OD1-O 3.01Å; Y1735-V1737 WeakPolarHBondContact O-CG2 3.42Å; Y1735-V1737 PolarHBondContact O-N 3.21Å; Y1735-V1737 VanDerWaalsContact O-N 3.12Å; V1737-D1739 VanDerWaalsContact C-N 3.33Å; V1737-D1739 HydrophobicContact CG1-CB 4.23Å; V1737-D1739 PolarHBondContact O-N 2.89Å; V1737-D1739 VanDerWaalsContact O-N 3.17Å | ||
| 1738 | H | 47.1 | Very low | 58.9 | Low | 150.8 Ų | 150.8 | 68.3 Ų | 68.3 | 70% | 0.698 | 35% | 0.348 | S | S | * | . | trans | -90.2 | 47.9 | 179 | -69.4 | -43.9 | 0 | 0 | 0 | 112.4 | R1672 N1736 | R1672-H1738 PolarHBondContact NH1-CE1 3.17Å; R1672-H1738 PolarHBondContact NH1-NE2 2.97Å; R1672-H1738 PolarHBondContact NH2-NE2 3.3Å; R1672-H1738 VanDerWaalsContact NH2-NE2 3.2Å; N1736-H1738 PolarHBondContact O-N 2.82Å | ||
| 1739 | D | 43.2 | Very low | 59.5 | Low | 115.4 Ų | 115.4 | 66.8 Ų | 66.8 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | trans | -81.2 | 146.2 | 172.6 | -88.9 | -28.8 | 0 | 0 | 0 | 111.2 | V1737 T1741 | V1737-D1739 VanDerWaalsContact C-N 3.33Å; V1737-D1739 HydrophobicContact CG1-CB 4.23Å; V1737-D1739 PolarHBondContact O-N 2.89Å; V1737-D1739 VanDerWaalsContact O-N 3.17Å; D1739-T1741 VanDerWaalsContact C-N 3.3Å; D1739-T1741 PolarHBondContact O-N 2.9Å | ||
| 1740 | K | 45.7 | Very low | 60.1 | Low | 201.6 Ų | 201.6 | 67.8 Ų | 67.8 | 88% | 0.877 | 35% | 0.346 | S | S | * | . | trans | -69.3 | 74.6 | 179.5 | -70.5 | -179.9 | 176.4 | 179.1 | 0 | 110.8 | V1742 | K1740-V1742 PolarHBondContact O-N 2.96Š| ||
| 1741 | T | 48.2 | Very low | 60.6 | Low | 43 Ų | 43 | 70.2 Ų | 70.2 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | trans | -78.3 | 126.6 | 176.6 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | W1675 T1728 N1732 D1739 I1743 | W1675-T1741 WeakPolarHBondContact CZ2-O 3.34Å; T1728-T1741 HydrophobicContact CG2-CG2 4.41Å; T1728-T1741 VanDerWaalsContact CG2-OG1 3.24Å; T1728-T1741 WeakPolarHBondContact CG2-OG1 3.06Å; N1732-T1741 WeakPolarHBondContact ND2-CG2 3.24Å; N1732-T1741 PolarHBondContact ND2-OG1 3.17Å; N1732-T1741 WeakPolarHBondContact OD1-CG2 3.34Å; D1739-T1741 VanDerWaalsContact C-N 3.3Å; D1739-T1741 PolarHBondContact O-N 2.9Å; T1741-I1743 PolarHBondContact O-N 3.26Å | ||
| 1742 | V | 53.1 | Low | 61.5 | Low | 115.4 Ų | 115.4 | 69.4 Ų | 69.4 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | trans | -85.3 | 113.4 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | K1740 S1744 | K1740-V1742 PolarHBondContact O-N 2.96Å; V1742-S1744 PolarHBondContact O-N 3.19Å | ||
| 1743 | I | 58.3 | Low | 62.6 | Low | 19.6 Ų | 19.6 | 68.6 Ų | 68.6 | 10% | 0.101 | 36% | 0.364 | C | S | . | . | trans | -70.5 | 122.4 | 164.7 | -66.5 | 168.9 | 0 | 0 | 0 | 107.2 | F1665 W1675 L1677 W1724 D1725 V1729 T1741 | F1665-I1743 HydrophobicContact CD2-CD1 4.07Å; F1665-I1743 HydrophobicContact CE2-CD1 4.2Å; F1665-I1743 HydrophobicContact CZ-CD1 4.11Å; W1675-I1743 HydrophobicContact CB-CD1 4.16Å; W1675-I1743 HydrophobicContact CD2-CD1 3.9Å; W1675-I1743 HydrophobicContact CD2-CG1 4.25Å; W1675-I1743 HydrophobicContact CE3-CD1 3.57Å; W1675-I1743 HydrophobicContact CE3-CG1 4.38Å; W1675-I1743 HydrophobicContact CG-CD1 3.94Å; W1675-I1743 HydrophobicContact CH2-CB 4.33Å; W1675-I1743 HydrophobicContact CZ3-CB 4.36Å; W1675-I1743 HydrophobicContact CZ3-CD1 4.21Å; L1677-I1743 HydrophobicContact CD1-CD1 4.35Å; L1677-I1743 HydrophobicContact CD1-CG2 4.02Å; L1677-I1743 HydrophobicContact CD2-CB 3.9Å; L1677-I1743 HydrophobicContact CD2-CD1 4.03Å; L1677-I1743 HydrophobicContact CD2-CG1 4.43Å; L1677-I1743 HydrophobicContact CD2-CG2 3.68Å; L1677-I1743 VanDerWaalsContact CD2-CG2 3.49Å; L1677-I1743 HydrophobicContact CG-CD1 4.43Å; L1677-I1743 HydrophobicContact CG-CG2 4.43Å; W1724-I1743 HydrophobicContact CB-CG2 4.29Å; W1724-I1743 HydrophobicContact CE3-CG2 4.38Å; D1725-I1743 WeakPolarHBondContact O-CG2 3.35Å; V1729-I1743 HydrophobicContact CG2-CD1 3.81Å; V1729-I1743 HydrophobicContact CG2-CG1 4.24Å; T1741-I1743 PolarHBondContact O-N 3.26Å | ||
| 1744 | S | 65.3 | Low | 63.4 | Low | 44.4 Ų | 44.4 | 78.1 Ų | 78.1 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | trans | -105.6 | 143.7 | -180 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | W1724 D1725 V1742 L1746 | W1724-S1744 WeakPolarHBondContact CA-O 3.48Å; D1725-S1744 PolarHBondContact N-O 3.02Å; V1742-S1744 PolarHBondContact O-N 3.19Å; S1744-L1746 PolarHBondContact O-N 3.02Å | ||
| 1745 | Q | 69.5 | Low | 64.7 | Low | 60.8 Ų | 60.8 | 79 Ų | 79 | 28% | 0.284 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.8 | 167.3 | -178.2 | -175.6 | -10.2 | 0 | 0 | 108.9 | M1627 F1722 I1723 W1724 A1747 S1748 | M1627-Q1745 HydrophobicContact CE-CB 3.45Å; M1627-Q1745 VanDerWaalsContact CE-CB 3.45Å; M1627-Q1745 HydrophobicContact SD-CB 4.42Å; F1722-Q1745 VanDerWaalsContact CE1-NE2 3.33Å; I1723-Q1745 CarbonylContact O-C 3.54Å; W1724-Q1745 HydrophobicContact CE3-CB 4.1Å; W1724-Q1745 HydrophobicContact CE3-CG 4.43Å; W1724-Q1745 HydrophobicContact CZ3-CB 3.99Å; W1724-Q1745 HydrophobicContact CZ3-CG 4.36Å; Q1745-A1747 WeakPolarHBondContact CG-O 3.28Å; Q1745-A1747 PolarHBondContact NE2-O 3.12Å; Q1745-A1747 VanDerWaalsContact NE2-O 3.14Å; Q1745-S1748 VanDerWaalsContact NE2-CB 3.28Å |
| 1746 | L | 71.1 | Confident | 66.1 | Low | 32.8 Ų | 32.8 | 73.3 Ų | 73.3 | 17% | 0.172 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -46.7 | 179.7 | -68 | 172.7 | 0 | 0 | 0 | 111.3 | W1711 I1723 D1725 S1744 S1799 V1800 | W1711-L1746 VanDerWaalsContact CD1-CD1 3.46Å; W1711-L1746 HydrophobicContact CD2-CD1 3.98Å; W1711-L1746 HydrophobicContact CG-CD1 3.88Å; W1711-L1746 HydrophobicContact CZ2-CD1 4.42Å; I1723-L1746 HydrophobicContact CG2-CB 4.39Å; I1723-L1746 HydrophobicContact CG2-CD1 4.32Å; I1723-L1746 PolarHBondContact O-N 3.13Å; D1725-L1746 HydrophobicContact CB-CD1 3.81Å; D1725-L1746 HydrophobicContact CB-CD2 4Å; D1725-L1746 HydrophobicContact CB-CG 3.79Å; S1744-L1746 PolarHBondContact O-N 3.02Å; L1746-S1799 WeakPolarHBondContact O-CA 3.37Å; L1746-V1800 PolarHBondContact O-N 3.21Å; L1746-V1800 VanDerWaalsContact O-N 3.09Å |
| 1747 | A | 74.6 | Confident | 67.8 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1723 Q1745 L1749 I1786 V1800 L1802 | I1723-A1747 HydrophobicContact CB-CB 4.19Å; I1723-A1747 HydrophobicContact CD1-CB 4.28Å; I1723-A1747 HydrophobicContact CG1-CB 4.42Å; I1723-A1747 PolarHBondContact N-O 2.94Å; I1723-A1747 VanDerWaalsContact N-O 3.11Å; I1723-A1747 PolarHBondContact O-N 3.1Å; Q1745-A1747 WeakPolarHBondContact CG-O 3.28Å; Q1745-A1747 PolarHBondContact NE2-O 3.12Å; Q1745-A1747 VanDerWaalsContact NE2-O 3.14Å; A1747-L1749 HydrophobicContact CB-CD1 4.5Å; A1747-I1786 HydrophobicContact CB-CD1 4.13Å; A1747-I1786 HydrophobicContact CB-CG1 4.31Å; A1747-V1800 CarbonylContact C-O 3.5Å; A1747-V1800 VanDerWaalsContact CA-O 3.26Å; A1747-V1800 WeakPolarHBondContact CA-O 3.32Å; A1747-V1800 HydrophobicContact CB-CB 4.35Å; A1747-V1800 VanDerWaalsContact CB-O 3.28Å; A1747-V1800 WeakPolarHBondContact CB-O 3.43Å; A1747-L1802 HydrophobicContact CB-CD1 4.18Å |
| 1748 | S | 79.7 | Confident | 69.5 | Low | 14.6 Ų | 14.6 | 64.1 Ų | 64.1 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.5 | 171.4 | 76.6 | 0 | 0 | 0 | 0 | 109.5 | Q1745 C1750 S1799 V1800 K1801 L1802 | Q1745-S1748 VanDerWaalsContact NE2-CB 3.28Å; S1748-C1750 VanDerWaalsContact C-N 3.35Å; S1748-C1750 PolarHBondContact O-N 3.13Å; S1748-C1750 WeakPolarHBondContact OG-CB 3.31Å; S1748-C1750 PolarHBondContact OG-SG 3.27Å; S1748-S1799 PolarHBondContact OG-OG 3.28Å; S1748-V1800 PolarHBondContact N-O 3.16Å; S1748-V1800 VanDerWaalsContact N-O 3.16Å; S1748-K1801 WeakPolarHBondContact O-CA 3.35Å; S1748-L1802 PolarHBondContact O-N 3.12Å |
| 1749 | L | 78.5 | Confident | 71.4 | Confident | 2.2 Ų | 2.2 | 57.2 Ų | 57.2 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | trans | -105 | 43.6 | 178.5 | -48.5 | 115.5 | 0 | 0 | 0 | 110.6 | M1713 I1721 I1723 A1747 W1781 L1802 | M1713-L1749 HydrophobicContact SD-CD1 4.49Å; I1721-L1749 HydrophobicContact CB-CB 4.1Å; I1721-L1749 HydrophobicContact CB-CD1 4.11Å; I1721-L1749 HydrophobicContact CB-CG 4.39Å; I1721-L1749 HydrophobicContact CD1-CB 4.41Å; I1721-L1749 HydrophobicContact CD1-CD1 4.49Å; I1721-L1749 HydrophobicContact CG2-CB 4.28Å; I1721-L1749 HydrophobicContact CG2-CD1 3.78Å; I1721-L1749 HydrophobicContact CG2-CG 4.35Å; I1721-L1749 WeakPolarHBondContact O-CD1 3.39Å; I1721-L1749 PolarHBondContact O-N 2.97Å; I1723-L1749 HydrophobicContact CD1-CD1 4.01Å; I1723-L1749 HydrophobicContact CD1-CD2 4.39Å; I1723-L1749 HydrophobicContact CG1-CD1 3.89Å; A1747-L1749 HydrophobicContact CB-CD1 4.5Å; L1749-W1781 HydrophobicContact CB-CD2 4.34Å; L1749-W1781 HydrophobicContact CB-CE3 4.14Å; L1749-W1781 HydrophobicContact CB-CH2 3.97Å; L1749-W1781 HydrophobicContact CB-CZ2 4.35Å; L1749-W1781 HydrophobicContact CB-CZ3 3.8Å; L1749-W1781 HydrophobicContact CD1-CD2 3.99Å; L1749-W1781 HydrophobicContact CD1-CE3 4.19Å; L1749-W1781 HydrophobicContact CD1-CG 4.24Å; L1749-W1781 HydrophobicContact CD2-CB 4Å; L1749-W1781 HydrophobicContact CD2-CD2 3.73Å; L1749-W1781 HydrophobicContact CD2-CE3 3.45Å; L1749-W1781 VanDerWaalsContact CD2-CE3 3.46Å; L1749-W1781 HydrophobicContact CD2-CG 3.84Å; L1749-W1781 HydrophobicContact CD2-CH2 4.42Å; L1749-W1781 HydrophobicContact CD2-CZ3 3.96Å; L1749-W1781 HydrophobicContact CG-CD2 4.43Å; L1749-W1781 HydrophobicContact CG-CE3 4.24Å; L1749-W1781 HydrophobicContact CG-CZ3 4.38Å; L1749-W1781 WeakPolarHBondContact O-CH2 3.29Å; L1749-L1802 HydrophobicContact CD2-CB 3.67Å; L1749-L1802 VanDerWaalsContact CD2-CB 3.41Å; L1749-L1802 HydrophobicContact CD2-CD1 3.88Å; L1749-L1802 HydrophobicContact CD2-CG 4.3Å; L1749-L1802 HydrophobicContact CG-CB 4.16Å; L1749-L1802 HydrophobicContact CG-CD1 4.34Å | ||
| 1750 | C | 77 | Confident | 73.6 | Confident | 25.2 Ų | 25.2 | 52.2 Ų | 52.2 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | trans | -87.3 | 147.2 | -170.7 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | D1720 F1722 S1748 K1801 | D1720-C1750 WeakPolarHBondContact CB-SG 3.11Å; D1720-C1750 VanDerWaalsContact CG-SG 3.52Å; D1720-C1750 WeakPolarHBondContact OD1-CA 3.46Å; D1720-C1750 VanDerWaalsContact OD1-CB 3.3Å; D1720-C1750 WeakPolarHBondContact OD1-CB 3.29Å; D1720-C1750 PolarHBondContact OD1-SG 3.05Å; F1722-C1750 WeakPolarHBondContact CE1-SG 3.42Å; S1748-C1750 VanDerWaalsContact C-N 3.35Å; S1748-C1750 PolarHBondContact O-N 3.13Å; S1748-C1750 WeakPolarHBondContact OG-CB 3.31Å; S1748-C1750 PolarHBondContact OG-SG 3.27Å; C1750-K1801 VanDerWaalsContact O-CE 3.32Å; C1750-K1801 WeakPolarHBondContact O-CE 3.45Å; C1750-K1801 PolarHBondContact O-NZ 2.76Å | ||
| 1751 | G | 72.1 | Confident | 75.6 | Confident | 67.4 Ų | 67.4 | 43.1 Ų | 43.1 | 70% | 0.695 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 95.7 | 7.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1752 | Y | 79.9 | Confident | 77.5 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -100.1 | -48.2 | 175.2 | -70.4 | -79.8 | 0 | 0 | 0 | 112.7 | Y1779 W1781 L1802 H1803 P1804 | Y1752-Y1779 HydrophobicContact CD1-CE1 4.39Å; Y1752-Y1779 PolarHBondContact O-OH 3.11Å; Y1752-W1781 AromaticContact CD2-CH2 3.57Å; Y1752-W1781 HydrophobicContact CD2-CH2 3.57Å; Y1752-W1781 VanDerWaalsContact CD2-CH2 3.48Å; Y1752-W1781 AromaticContact CD2-CZ3 3.8Å; Y1752-W1781 HydrophobicContact CD2-CZ3 3.8Å; Y1752-W1781 HydrophobicContact CE2-CH2 4.29Å; Y1752-W1781 HydrophobicContact CE2-CZ3 4.21Å; Y1752-W1781 AromaticContact CG-CH2 3.86Å; Y1752-W1781 HydrophobicContact CG-CH2 3.89Å; Y1752-W1781 HydrophobicContact CG-CZ3 4.36Å; Y1752-L1802 WeakPolarHBondContact CE2-O 2.78Å; Y1752-H1803 AromaticContact CE2-ND1 3.68Å; Y1752-H1803 AromaticContact CZ-ND1 3.58Å; Y1752-H1803 PolarHBondContact OH-CE1 2.9Å; Y1752-H1803 VanDerWaalsContact OH-CE1 3.29Å; Y1752-H1803 PolarHBondContact OH-ND1 3Å; Y1752-H1803 PolarHBondContact OH-NE2 2.81Å; Y1752-P1804 HydrophobicContact CD1-CG 3.62Å; Y1752-P1804 VanDerWaalsContact CD1-CG 3.49Å; Y1752-P1804 HydrophobicContact CD2-CG 4.24Å; Y1752-P1804 VanDerWaalsContact CE1-CD 3.48Å; Y1752-P1804 HydrophobicContact CE1-CG 3.81Å; Y1752-P1804 VanDerWaalsContact CE2-CD 3.44Å; Y1752-P1804 HydrophobicContact CE2-CG 4.36Å; Y1752-P1804 HydrophobicContact CG-CG 3.9Å; Y1752-P1804 VanDerWaalsContact CZ-CD 3.42Å |
| 1753 | H | 80.5 | Confident | 79 | Confident | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | trans | -73 | 131.8 | 170.7 | -63.6 | -74.6 | 0 | 0 | 0 | 109.2 | I1721 V1757 T1771 D1773 Y1779 W1781 | I1721-H1753 VanDerWaalsContact CD1-CD2 3.42Å; I1721-H1753 WeakPolarHBondContact CD1-CD2 2.91Å; I1721-H1753 VanDerWaalsContact CD1-NE2 3.34Å; I1721-H1753 WeakPolarHBondContact CD1-NE2 3.23Å; H1753-V1757 HydrophobicContact CB-CG2 3.76Å; H1753-V1757 VanDerWaalsContact CD2-CG2 3.42Å; H1753-V1757 WeakPolarHBondContact CD2-CG2 3.29Å; H1753-V1757 VanDerWaalsContact CG-CG2 3.46Å; H1753-T1771 PolarHBondContact CE1-OG1 3.18Å; H1753-T1771 VanDerWaalsContact CE1-OG1 3.29Å; H1753-T1771 WeakPolarHBondContact NE2-CB 3.41Å; H1753-T1771 PolarHBondContact NE2-OG1 3.01Å; H1753-D1773 HydrophobicContact CB-CB 4.47Å; H1753-D1773 IonicContact CE1-OD2 3.13Å; H1753-D1773 IonicContact CG-OD2 3.3Å; H1753-D1773 VanDerWaalsContact ND1-CB 3.3Å; H1753-D1773 WeakPolarHBondContact ND1-CB 3.34Å; H1753-D1773 VanDerWaalsContact ND1-CG 3.34Å; H1753-D1773 IonicContact ND1-OD2 3.52Å; H1753-D1773 PolarHBondContact ND1-OD2 2.99Å; H1753-Y1779 AromaticContact CE1-CD2 3.29Å; H1753-Y1779 VanDerWaalsContact CE1-CD2 3.44Å; H1753-Y1779 WeakPolarHBondContact CE1-CD2 3.4Å; H1753-Y1779 AromaticContact CE1-CE2 3.83Å; H1753-Y1779 AromaticContact ND1-CD2 3.63Å; H1753-Y1779 AromaticContact ND1-CE2 3.74Å; H1753-Y1779 AromaticContact NE2-CD2 3.8Å; H1753-W1781 AromaticContact NE2-CZ2 3.74Å | ||
| 1754 | R | 75.3 | Confident | 79.9 | Confident | 230.8 Ų | 230.8 | 37.1 Ų | 37.1 | 87% | 0.871 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -96.4 | -16.5 | 178.3 | -59.5 | -179.4 | 176.6 | -178.6 | -0.8 | 112 | D1775 | R1754-D1775 VanDerWaalsContact CA-OD2 3.28Å; R1754-D1775 WeakPolarHBondContact CA-OD2 3.34Å; R1754-D1775 VanDerWaalsContact CB-OD2 3.3Å; R1754-D1775 WeakPolarHBondContact CB-OD2 3.27Å; R1754-D1775 PolarHBondContact N-OD2 3.25Å |
| 1755 | R | 82.2 | Confident | 80.4 | Confident | 134.4 Ų | 134.4 | 40.9 Ų | 40.9 | 51% | 0.507 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -128.6 | 176.9 | 177.3 | -62.5 | -177.4 | 78.1 | 176.9 | 4.4 | 110.8 | G1719 V1757 L1774 D1775 | G1719-R1755 WeakPolarHBondContact CA-O 3.46Å; R1755-V1757 PolarHBondContact O-N 3.15Å; R1755-L1774 HydrophobicContact CB-CB 4.03Å; R1755-L1774 PolarHBondContact NH1-O 3.24Å; R1755-D1775 WeakPolarHBondContact CB-OD2 3.45Å; R1755-D1775 WeakPolarHBondContact CD-OD1 3.36Å; R1755-D1775 VanDerWaalsContact CG-OD1 3.25Å; R1755-D1775 WeakPolarHBondContact CG-OD1 3.41Å; R1755-D1775 WeakPolarHBondContact CG-OD2 3.28Å; R1755-D1775 PolarHBondContact N-OD2 3.08Å; R1755-D1775 VanDerWaalsContact N-OD2 3.11Å |
| 1756 | C | 84.7 | Confident | 80.7 | Confident | 8.8 Ų | 8.8 | 42.2 Ų | 42.2 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | trans | -43.6 | 126.8 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 112.8 | E1717 T1758 D1773 L1774 I1924 | E1717-C1756 VanDerWaalsContact CA-SG 3.55Å; E1717-C1756 HydrophobicContact CB-CB 4.29Å; E1717-C1756 HydrophobicContact CG-CB 4.1Å; E1717-C1756 VanDerWaalsContact CG-SG 3.59Å; E1717-C1756 VanDerWaalsContact O-CA 3.28Å; E1717-C1756 WeakPolarHBondContact O-CA 3.18Å; E1717-C1756 WeakPolarHBondContact O-CB 3.41Å; C1756-T1758 PolarHBondContact O-N 3.19Å; C1756-D1773 CarbonylContact O-C 3.47Å; C1756-D1773 VanDerWaalsContact O-CA 3.25Å; C1756-D1773 WeakPolarHBondContact O-CA 3.36Å; C1756-D1773 WeakPolarHBondContact O-CB 3.44Å; C1756-L1774 HydrophobicContact CB-CD1 3.71Å; C1756-L1774 HydrophobicContact CB-CG 4.07Å; C1756-L1774 PolarHBondContact O-N 3.11Å; C1756-L1774 VanDerWaalsContact O-N 3.14Å; C1756-I1924 HydrophobicContact CB-CD1 4.42Å | ||
| 1757 | V | 87.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.3 | 169.5 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | Q1685 A1715 S1716 I1721 H1753 R1755 T1771 G1772 | Q1685-V1757 VanDerWaalsContact CB-O 3.25Å; Q1685-V1757 WeakPolarHBondContact CB-O 3.34Å; A1715-V1757 HydrophobicContact CB-CB 4.02Å; A1715-V1757 HydrophobicContact CB-CG1 3.68Å; S1716-V1757 PolarHBondContact O-N 3.07Å; S1716-V1757 VanDerWaalsContact O-N 3.13Å; I1721-V1757 HydrophobicContact CD1-CG1 4.24Å; I1721-V1757 HydrophobicContact CD1-CG2 4.19Å; I1721-V1757 HydrophobicContact CG1-CB 4.48Å; I1721-V1757 HydrophobicContact CG1-CG1 4.25Å; I1721-V1757 HydrophobicContact CG1-CG2 4.12Å; H1753-V1757 HydrophobicContact CB-CG2 3.76Å; H1753-V1757 VanDerWaalsContact CD2-CG2 3.42Å; H1753-V1757 WeakPolarHBondContact CD2-CG2 3.29Å; H1753-V1757 VanDerWaalsContact CG-CG2 3.46Å; R1755-V1757 PolarHBondContact O-N 3.15Å; V1757-T1771 HydrophobicContact CG1-CG2 4.45Å; V1757-G1772 CarbonylContact C-O 3.32Å; V1757-G1772 WeakPolarHBondContact CA-O 3.18Å; V1757-G1772 VanDerWaalsContact CG1-O 3.3Å; V1757-G1772 WeakPolarHBondContact CG1-O 3.41Å |
| 1758 | T | 84.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -30.7 | -172.3 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | Q1685 C1756 G1772 L1774 I1815 I1924 N1926 | Q1685-T1758 CarbonylContact C-O 3.48Å; Q1685-T1758 VanDerWaalsContact CB-O 3.28Å; Q1685-T1758 WeakPolarHBondContact CB-O 3.47Å; C1756-T1758 PolarHBondContact O-N 3.19Å; T1758-G1772 PolarHBondContact N-O 3.12Å; T1758-G1772 PolarHBondContact OG1-O 2.98Å; T1758-L1774 HydrophobicContact CG2-CD2 3.53Å; T1758-L1774 VanDerWaalsContact CG2-CD2 3.45Å; T1758-L1774 HydrophobicContact CG2-CG 3.84Å; T1758-I1815 WeakPolarHBondContact CB-O 3.2Å; T1758-I1815 PolarHBondContact OG1-O 3Å; T1758-I1924 HydrophobicContact CG2-CG2 4.2Å; T1758-N1926 PolarHBondContact O-ND2 2.98Å |
| 1759 | T | 87.6 | Confident | 82.1 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 151.9 | -169.4 | -169.1 | 0 | 0 | 0 | 0 | 112 | T1771 G1772 I1815 V1816 I1818 | T1759-T1771 WeakPolarHBondContact O-CA 3.38Å; T1759-G1772 PolarHBondContact N-O 3.09Å; T1759-G1772 PolarHBondContact O-N 3.18Å; T1759-I1815 HydrophobicContact CG2-CG2 4.08Å; T1759-V1816 WeakPolarHBondContact CB-O 3.19Å; T1759-I1818 HydrophobicContact CG2-CB 4.01Å; T1759-I1818 HydrophobicContact CG2-CD1 3.76Å; T1759-I1818 HydrophobicContact CG2-CG1 3.59Å; T1759-I1818 PolarHBondContact OG1-N 2.89Å |
| 1760 | S | 89.6 | Confident | 82.6 | Confident | 10.2 Ų | 10.2 | 43.7 Ų | 43.7 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 147.3 | 175.8 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | S1686 M1713 A1770 | S1686-S1760 WeakPolarHBondContact CB-OG 3.18Å; S1686-S1760 WeakPolarHBondContact OG-CB 3.31Å; S1686-S1760 PolarHBondContact OG-N 3.05Å; S1686-S1760 VanDerWaalsContact OG-N 3.14Å; S1686-S1760 PolarHBondContact OG-OG 3.1Å; M1713-S1760 VanDerWaalsContact CE-CB 3.45Å; M1713-S1760 WeakPolarHBondContact CE-OG 3.33Å; S1760-A1770 CarbonylContact C-O 3.56Å; S1760-A1770 VanDerWaalsContact CA-O 3.26Å; S1760-A1770 WeakPolarHBondContact CA-O 3.31Å |
| 1761 | A | 88.5 | Confident | 83.3 | Confident | 9.8 Ų | 9.8 | 42.5 Ų | 42.5 | 8% | 0.081 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | V1769 A1770 I1818 F1820 | A1761-V1769 CarbonylContact O-C 3.54Å; A1761-V1769 WeakPolarHBondContact O-CA 3.38Å; A1761-A1770 PolarHBondContact N-O 3.05Å; A1761-A1770 PolarHBondContact O-N 3.07Å; A1761-I1818 HydrophobicContact CB-CB 4.47Å; A1761-I1818 HydrophobicContact CB-CG2 4.11Å; A1761-F1820 HydrophobicContact CB-CD2 3.75Å; A1761-F1820 HydrophobicContact CB-CE2 3.85Å; A1761-F1820 WeakPolarHBondContact O-CE2 3.39Å |
| 1762 | W | 87.5 | Confident | 84.1 | Confident | 30.4 Ų | 30.4 | 39.3 Ų | 39.3 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.7 | 179.9 | 174.4 | -125.5 | 0 | 0 | 0 | 112 | C1688 L1690 E1691 P1764 Q1767 V1769 V1783 F1820 | C1688-W1762 VanDerWaalsContact SG-CB 3.53Å; C1688-W1762 WeakPolarHBondContact SG-CB 3.39Å; C1688-W1762 PolarHBondContact SG-N 3.03Å; C1688-W1762 VanDerWaalsContact SG-N 3.45Å; L1690-W1762 HydrophobicContact CB-CD2 4.27Å; L1690-W1762 HydrophobicContact CB-CH2 4.3Å; L1690-W1762 HydrophobicContact CB-CZ2 4.09Å; L1690-W1762 HydrophobicContact CD2-CB 4.04Å; L1690-W1762 HydrophobicContact CD2-CD2 3.51Å; L1690-W1762 VanDerWaalsContact CD2-CD2 3.46Å; L1690-W1762 HydrophobicContact CD2-CE3 3.45Å; L1690-W1762 VanDerWaalsContact CD2-CE3 3.43Å; L1690-W1762 HydrophobicContact CD2-CG 3.82Å; L1690-W1762 HydrophobicContact CD2-CH2 4.42Å; L1690-W1762 HydrophobicContact CD2-CZ2 4.46Å; L1690-W1762 HydrophobicContact CD2-CZ3 3.94Å; L1690-W1762 HydrophobicContact CG-CD2 4.45Å; E1691-W1762 PolarHBondContact O-NE1 3.11Å; W1762-P1764 WeakPolarHBondContact O-CD 3.32Å; W1762-Q1767 VanDerWaalsContact CH2-C 3.47Å; W1762-Q1767 HydrophobicContact CH2-CB 3.73Å; W1762-Q1767 HydrophobicContact CH2-CG 4.18Å; W1762-Q1767 HydrophobicContact CZ2-CB 4.4Å; W1762-Q1767 HydrophobicContact CZ2-CG 4.4Å; W1762-Q1767 HydrophobicContact CZ3-CB 4.42Å; W1762-Q1767 WeakPolarHBondContact CZ3-O 3.27Å; W1762-V1769 HydrophobicContact CE3-CB 4.49Å; W1762-V1769 HydrophobicContact CE3-CG2 3.51Å; W1762-V1769 VanDerWaalsContact CE3-CG2 3.46Å; W1762-V1769 HydrophobicContact CZ3-CG2 3.78Å; W1762-V1783 HydrophobicContact CH2-CB 3.93Å; W1762-V1783 HydrophobicContact CH2-CG1 4.18Å; W1762-V1783 HydrophobicContact CH2-CG2 4.2Å; W1762-V1783 HydrophobicContact CZ3-CB 3.86Å; W1762-V1783 HydrophobicContact CZ3-CG1 4.42Å; W1762-V1783 HydrophobicContact CZ3-CG2 3.64Å; W1762-F1820 VanDerWaalsContact C-CD2 3.44Å; W1762-F1820 WeakPolarHBondContact O-CD2 3.32Å |
| 1763 | H | 85.4 | Confident | 84.5 | Confident | 0.2 Ų | 0.2 | 36.2 Ų | 36.2 | 0% | 0.001 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 94.1 | 172.9 | -171 | -70.9 | 0 | 0 | 0 | 110.3 | R1765 R1766 Q1767 L1768 F1820 D1836 | H1763-R1765 VanDerWaalsContact C-N 3.32Å; H1763-R1765 PolarHBondContact O-N 3.15Å; H1763-R1765 VanDerWaalsContact O-N 3.16Å; H1763-R1766 WeakPolarHBondContact ND1-CB 3.34Å; H1763-R1766 PolarHBondContact ND1-N 3.4Å; H1763-R1766 VanDerWaalsContact ND1-N 3.17Å; H1763-R1766 PolarHBondContact O-N 3.22Å; H1763-R1766 VanDerWaalsContact O-N 3.08Å; H1763-Q1767 WeakPolarHBondContact O-CA 3.43Å; H1763-Q1767 PolarHBondContact O-N 3.14Å; H1763-Q1767 VanDerWaalsContact O-N 3.07Å; H1763-L1768 HydrophobicContact CB-CB 4.28Å; H1763-L1768 WeakPolarHBondContact CB-O 3.29Å; H1763-L1768 PolarHBondContact N-O 3.06Å; H1763-L1768 PolarHBondContact O-N 3.17Å; H1763-L1768 VanDerWaalsContact O-N 3.16Å; H1763-F1820 HydrophobicContact CB-CD1 4.15Å; H1763-F1820 HydrophobicContact CB-CD2 3.82Å; H1763-F1820 HydrophobicContact CB-CE1 4.17Å; H1763-F1820 HydrophobicContact CB-CE2 3.83Å; H1763-F1820 HydrophobicContact CB-CG 3.97Å; H1763-F1820 HydrophobicContact CB-CZ 4.01Å; H1763-F1820 AromaticContact CD2-CD1 3.84Å; H1763-F1820 AromaticContact CD2-CG 3.96Å; H1763-D1836 IonicContact CE1-OD1 3.66Å; H1763-D1836 IonicContact NE2-OD1 3.53Å; H1763-D1836 PolarHBondContact NE2-OD1 2.98Å |
| 1764 | P | 76.9 | Confident | 84.7 | Confident | 21.2 Ų | 21.2 | 36.8 Ų | 36.8 | 14% | 0.138 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.1 | -168.3 | 24.4 | -36.3 | 0 | 0 | 0 | 114.3 | E1691 F1693 W1762 R1766 Q1767 L1822 | E1691-P1764 VanDerWaalsContact O-CB 3.29Å; E1691-P1764 WeakPolarHBondContact O-CB 3.38Å; F1693-P1764 HydrophobicContact CB-CB 4.31Å; F1693-P1764 HydrophobicContact CD2-CB 3.85Å; F1693-P1764 HydrophobicContact CD2-CG 3.67Å; F1693-P1764 VanDerWaalsContact CD2-CG 3.45Å; F1693-P1764 HydrophobicContact CE2-CB 4.16Å; F1693-P1764 HydrophobicContact CE2-CG 3.57Å; F1693-P1764 VanDerWaalsContact CE2-CG 3.48Å; F1693-P1764 HydrophobicContact CZ-CG 4.43Å; W1762-P1764 WeakPolarHBondContact O-CD 3.32Å; P1764-R1766 VanDerWaalsContact C-N 3.31Å; P1764-R1766 PolarHBondContact O-N 3.23Å; P1764-Q1767 PolarHBondContact O-N 3.15Å; P1764-L1822 HydrophobicContact CG-CD2 4.12Å |
| 1765 | R | 74.6 | Confident | 85 | Confident | 126 Ų | 126 | 28.4 Ų | 28.4 | 48% | 0.475 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.8 | -177.5 | -174.5 | -179.8 | 96 | 103.6 | -3.7 | 114 | F1693 H1763 I1834 D1836 | F1693-R1765 HydrophobicContact CD2-CB 4.21Å; F1693-R1765 HydrophobicContact CE2-CB 4.49Å; F1693-R1765 HydrophobicContact CG-CB 4.38Å; H1763-R1765 VanDerWaalsContact C-N 3.32Å; H1763-R1765 PolarHBondContact O-N 3.15Å; H1763-R1765 VanDerWaalsContact O-N 3.16Å; R1765-I1834 VanDerWaalsContact CZ-CD1 3.49Å; R1765-I1834 VanDerWaalsContact NH1-CD1 3.31Å; R1765-D1836 IonicContact CZ-OD1 3.92Å; R1765-D1836 IonicContact CZ-OD2 2.77Å; R1765-D1836 IonicContact NE-OD1 3.13Å; R1765-D1836 VanDerWaalsContact NH2-CG 3.27Å; R1765-D1836 IonicContact NH2-OD1 3.36Å; R1765-D1836 PolarHBondContact NH2-OD1 3.02Å; R1765-D1836 IonicContact NH2-OD2 3.43Å; R1765-D1836 PolarHBondContact NH2-OD2 3.17Å |
| 1766 | R | 76.2 | Confident | 85.2 | Confident | 88 Ų | 88 | 22.8 Ų | 22.8 | 33% | 0.332 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -2.4 | 179.8 | -68.3 | -176.9 | 179.1 | -138.2 | 5.1 | 112.3 | H1763 P1764 L1768 D1836 L1852 | H1763-R1766 WeakPolarHBondContact ND1-CB 3.34Å; H1763-R1766 PolarHBondContact ND1-N 3.4Å; H1763-R1766 VanDerWaalsContact ND1-N 3.17Å; H1763-R1766 PolarHBondContact O-N 3.22Å; H1763-R1766 VanDerWaalsContact O-N 3.08Å; P1764-R1766 VanDerWaalsContact C-N 3.31Å; P1764-R1766 PolarHBondContact O-N 3.23Å; R1766-L1768 HydrophobicContact CB-CB 4.39Å; R1766-L1768 HydrophobicContact CB-CD1 3.9Å; R1766-L1768 HydrophobicContact CB-CG 3.78Å; R1766-L1768 HydrophobicContact CG-CD1 4.47Å; R1766-L1768 WeakPolarHBondContact O-CG 3.28Å; R1766-L1768 PolarHBondContact O-N 3.19Å; R1766-D1836 IonicContact CZ-OD2 3.48Å; R1766-D1836 IonicContact NE-OD2 3.62Å; R1766-D1836 PolarHBondContact NE-OD2 3.05Å; R1766-D1836 IonicContact NH2-OD2 3.43Å; R1766-D1836 PolarHBondContact NH2-OD2 3.09Å; R1766-L1852 PolarHBondContact NH1-O 3.01Å |
| 1767 | Q | 81.1 | Confident | 85.4 | Confident | 63.2 Ų | 63.2 | 24.1 Ų | 24.1 | 30% | 0.295 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 39.7 | -171.5 | -60.9 | -176.7 | -3.5 | 0 | 0 | 113.5 | W1762 H1763 P1764 V1783 S1784 | W1762-Q1767 VanDerWaalsContact CH2-C 3.47Å; W1762-Q1767 HydrophobicContact CH2-CB 3.73Å; W1762-Q1767 HydrophobicContact CH2-CG 4.18Å; W1762-Q1767 HydrophobicContact CZ2-CB 4.4Å; W1762-Q1767 HydrophobicContact CZ2-CG 4.4Å; W1762-Q1767 HydrophobicContact CZ3-CB 4.42Å; W1762-Q1767 WeakPolarHBondContact CZ3-O 3.27Å; H1763-Q1767 WeakPolarHBondContact O-CA 3.43Å; H1763-Q1767 PolarHBondContact O-N 3.14Å; H1763-Q1767 VanDerWaalsContact O-N 3.07Å; P1764-Q1767 PolarHBondContact O-N 3.15Å; Q1767-V1783 WeakPolarHBondContact O-CB 3.37Å; Q1767-V1783 PolarHBondContact O-N 2.98Å; Q1767-V1783 VanDerWaalsContact O-N 3.09Å; Q1767-S1784 VanDerWaalsContact OE1-CA 3.3Å; Q1767-S1784 VanDerWaalsContact OE1-CB 3.3Å |
| 1768 | L | 85.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 24.1 Ų | 24.1 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.7 | -178.8 | -65.3 | 180 | 0 | 0 | 0 | 111.4 | H1763 R1766 W1781 D1782 F1805 L1852 | H1763-L1768 HydrophobicContact CB-CB 4.28Å; H1763-L1768 WeakPolarHBondContact CB-O 3.29Å; H1763-L1768 PolarHBondContact N-O 3.06Å; H1763-L1768 PolarHBondContact O-N 3.17Å; H1763-L1768 VanDerWaalsContact O-N 3.16Å; R1766-L1768 HydrophobicContact CB-CB 4.39Å; R1766-L1768 HydrophobicContact CB-CD1 3.9Å; R1766-L1768 HydrophobicContact CB-CG 3.78Å; R1766-L1768 HydrophobicContact CG-CD1 4.47Å; R1766-L1768 WeakPolarHBondContact O-CG 3.28Å; R1766-L1768 PolarHBondContact O-N 3.19Å; L1768-W1781 WeakPolarHBondContact CA-O 3.24Å; L1768-D1782 HydrophobicContact CD2-CB 4.14Å; L1768-F1805 HydrophobicContact CD1-CE1 4.38Å; L1768-F1805 HydrophobicContact CD1-CZ 4.33Å; L1768-F1805 HydrophobicContact CD2-CD1 4.32Å; L1768-F1805 HydrophobicContact CD2-CE1 3.56Å; L1768-F1805 VanDerWaalsContact CD2-CE1 3.49Å; L1768-F1805 HydrophobicContact CD2-CZ 4.15Å; L1768-F1805 HydrophobicContact CG-CE1 4.45Å; L1768-L1852 HydrophobicContact CD1-CD2 3.99Å |
| 1769 | V | 88.4 | Confident | 85.7 | Confident | 0.8 Ų | 0.8 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.4 | 166.9 | 166.8 | 0 | 0 | 0 | 0 | 109.3 | L1690 M1713 A1761 W1762 T1771 L1780 W1781 V1783 | L1690-V1769 HydrophobicContact CD2-CG2 3.77Å; M1713-V1769 HydrophobicContact CE-CB 4.46Å; M1713-V1769 HydrophobicContact CE-CG1 3.55Å; M1713-V1769 VanDerWaalsContact CE-CG1 3.47Å; M1713-V1769 HydrophobicContact CE-CG2 4.03Å; M1713-V1769 HydrophobicContact SD-CB 4.33Å; M1713-V1769 HydrophobicContact SD-CG1 3.45Å; M1713-V1769 VanDerWaalsContact SD-CG1 3.54Å; M1713-V1769 WeakPolarHBondContact SD-CG1 3.49Å; M1713-V1769 HydrophobicContact SD-CG2 3.94Å; A1761-V1769 CarbonylContact O-C 3.54Å; A1761-V1769 WeakPolarHBondContact O-CA 3.38Å; W1762-V1769 HydrophobicContact CE3-CB 4.49Å; W1762-V1769 HydrophobicContact CE3-CG2 3.51Å; W1762-V1769 VanDerWaalsContact CE3-CG2 3.46Å; W1762-V1769 HydrophobicContact CZ3-CG2 3.78Å; V1769-T1771 HydrophobicContact CG1-CG2 3.86Å; V1769-L1780 CarbonylContact O-C 3.57Å; V1769-L1780 VanDerWaalsContact O-CA 3.31Å; V1769-L1780 WeakPolarHBondContact O-CA 3.39Å; V1769-W1781 HydrophobicContact CB-CB 4.18Å; V1769-W1781 HydrophobicContact CB-CG 4.47Å; V1769-W1781 HydrophobicContact CG1-CG 4.44Å; V1769-W1781 PolarHBondContact N-O 3.15Å; V1769-W1781 PolarHBondContact O-N 3.1Å; V1769-V1783 HydrophobicContact CB-CG2 4.4Å; V1769-V1783 HydrophobicContact CG2-CG2 3.66Å |
| 1770 | A | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1760 A1761 V1778 Y1779 L1780 I1818 F1820 L1838 | S1760-A1770 CarbonylContact C-O 3.56Å; S1760-A1770 VanDerWaalsContact CA-O 3.26Å; S1760-A1770 WeakPolarHBondContact CA-O 3.31Å; A1761-A1770 PolarHBondContact N-O 3.05Å; A1761-A1770 PolarHBondContact O-N 3.07Å; A1770-V1778 HydrophobicContact CB-CG1 4.38Å; A1770-Y1779 CarbonylContact C-O 3.52Å; A1770-Y1779 WeakPolarHBondContact CA-O 3.35Å; A1770-L1780 HydrophobicContact CB-CD2 3.57Å; A1770-I1818 HydrophobicContact CB-CG2 3.99Å; A1770-F1820 HydrophobicContact CB-CE1 4.33Å; A1770-F1820 HydrophobicContact CB-CE2 3.86Å; A1770-F1820 HydrophobicContact CB-CZ 3.59Å; A1770-F1820 VanDerWaalsContact CB-CZ 3.43Å; A1770-L1838 HydrophobicContact CB-CD1 4.39Å; A1770-L1838 HydrophobicContact CB-CD2 4.22Å |
| 1771 | T | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.9 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | M1713 I1721 H1753 V1757 T1759 V1769 V1778 Y1779 W1781 | M1713-T1771 HydrophobicContact SD-CG2 4.44Å; I1721-T1771 HydrophobicContact CD1-CG2 3.61Å; I1721-T1771 VanDerWaalsContact CD1-CG2 3.48Å; I1721-T1771 HydrophobicContact CG1-CG2 4.26Å; H1753-T1771 PolarHBondContact CE1-OG1 3.18Å; H1753-T1771 VanDerWaalsContact CE1-OG1 3.29Å; H1753-T1771 WeakPolarHBondContact NE2-CB 3.41Å; H1753-T1771 PolarHBondContact NE2-OG1 3.01Å; V1757-T1771 HydrophobicContact CG1-CG2 4.45Å; T1759-T1771 WeakPolarHBondContact O-CA 3.38Å; V1769-T1771 HydrophobicContact CG1-CG2 3.86Å; T1771-V1778 CarbonylContact O-C 3.53Å; T1771-V1778 VanDerWaalsContact O-CA 3.25Å; T1771-V1778 WeakPolarHBondContact O-CA 3.26Å; T1771-Y1779 PolarHBondContact N-O 2.97Å; T1771-Y1779 PolarHBondContact O-N 3.27Å; T1771-W1781 PolarHBondContact OG1-NE1 3Å |
| 1772 | G | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1757 T1758 T1759 | V1757-G1772 CarbonylContact C-O 3.32Å; V1757-G1772 WeakPolarHBondContact CA-O 3.18Å; V1757-G1772 VanDerWaalsContact CG1-O 3.3Å; V1757-G1772 WeakPolarHBondContact CG1-O 3.41Å; T1758-G1772 PolarHBondContact N-O 3.12Å; T1758-G1772 PolarHBondContact OG1-O 2.98Å; T1759-G1772 PolarHBondContact N-O 3.09Å; T1759-G1772 PolarHBondContact O-N 3.18Å |
| 1773 | D | 87.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 174.6 | -175.3 | 62.5 | 25.3 | 0 | 0 | 0 | 114.3 | H1753 C1756 D1775 C1776 M1777 I1815 | H1753-D1773 HydrophobicContact CB-CB 4.47Å; H1753-D1773 IonicContact CE1-OD2 3.13Å; H1753-D1773 IonicContact CG-OD2 3.3Å; H1753-D1773 VanDerWaalsContact ND1-CB 3.3Å; H1753-D1773 WeakPolarHBondContact ND1-CB 3.34Å; H1753-D1773 VanDerWaalsContact ND1-CG 3.34Å; H1753-D1773 IonicContact ND1-OD2 3.52Å; H1753-D1773 PolarHBondContact ND1-OD2 2.99Å; C1756-D1773 CarbonylContact O-C 3.47Å; C1756-D1773 VanDerWaalsContact O-CA 3.25Å; C1756-D1773 WeakPolarHBondContact O-CA 3.36Å; C1756-D1773 WeakPolarHBondContact O-CB 3.44Å; D1773-D1775 VanDerWaalsContact C-N 3.26Å; D1773-D1775 PolarHBondContact O-N 3.1Å; D1773-D1775 VanDerWaalsContact OD1-C 3.26Å; D1773-D1775 VanDerWaalsContact OD1-CA 3.28Å; D1773-D1775 WeakPolarHBondContact OD1-CA 3.36Å; D1773-D1775 WeakPolarHBondContact OD1-CB 3.27Å; D1773-D1775 PolarHBondContact OD1-N 2.99Å; D1773-C1776 PolarHBondContact O-N 3.28Å; D1773-C1776 PolarHBondContact OD1-N 3.12Å; D1773-C1776 VanDerWaalsContact OD1-N 3.12Å; D1773-M1777 PolarHBondContact N-O 3.3Å; D1773-M1777 PolarHBondContact OD1-N 3.11Å; D1773-I1815 PolarHBondContact O-N 2.84Å; D1773-I1815 VanDerWaalsContact O-N 3.17Å |
| 1774 | L | 84.5 | Confident | 84.7 | Confident | 23.8 Ų | 23.8 | 27.7 Ų | 27.7 | 13% | 0.125 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.9 | 169.3 | -62.7 | -177 | 0 | 0 | 0 | 113.9 | R1755 C1756 T1758 C1776 P1814 I1924 | R1755-L1774 HydrophobicContact CB-CB 4.03Å; R1755-L1774 PolarHBondContact NH1-O 3.24Å; C1756-L1774 HydrophobicContact CB-CD1 3.71Å; C1756-L1774 HydrophobicContact CB-CG 4.07Å; C1756-L1774 PolarHBondContact O-N 3.11Å; C1756-L1774 VanDerWaalsContact O-N 3.14Å; T1758-L1774 HydrophobicContact CG2-CD2 3.53Å; T1758-L1774 VanDerWaalsContact CG2-CD2 3.45Å; T1758-L1774 HydrophobicContact CG2-CG 3.84Å; L1774-C1776 VanDerWaalsContact C-N 3.26Å; L1774-C1776 PolarHBondContact O-N 3.36Å; L1774-P1814 HydrophobicContact CD2-CB 3.75Å; L1774-P1814 HydrophobicContact CD2-CG 4.43Å; L1774-I1924 HydrophobicContact CD1-CD1 4.47Å; L1774-I1924 HydrophobicContact CD1-CG1 4.39Å |
| 1775 | D | 82.9 | Confident | 84.3 | Confident | 53.6 Ų | 53.6 | 31 Ų | 31 | 29% | 0.287 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.8 | 173.1 | -66.8 | -47.6 | 0 | 0 | 0 | 112.4 | R1754 R1755 D1773 M1777 | R1754-D1775 VanDerWaalsContact CA-OD2 3.28Å; R1754-D1775 WeakPolarHBondContact CA-OD2 3.34Å; R1754-D1775 VanDerWaalsContact CB-OD2 3.3Å; R1754-D1775 WeakPolarHBondContact CB-OD2 3.27Å; R1754-D1775 PolarHBondContact N-OD2 3.25Å; R1755-D1775 WeakPolarHBondContact CB-OD2 3.45Å; R1755-D1775 WeakPolarHBondContact CD-OD1 3.36Å; R1755-D1775 VanDerWaalsContact CG-OD1 3.25Å; R1755-D1775 WeakPolarHBondContact CG-OD1 3.41Å; R1755-D1775 WeakPolarHBondContact CG-OD2 3.28Å; R1755-D1775 PolarHBondContact N-OD2 3.08Å; R1755-D1775 VanDerWaalsContact N-OD2 3.11Å; D1773-D1775 VanDerWaalsContact C-N 3.26Å; D1773-D1775 PolarHBondContact O-N 3.1Å; D1773-D1775 VanDerWaalsContact OD1-C 3.26Å; D1773-D1775 VanDerWaalsContact OD1-CA 3.28Å; D1773-D1775 WeakPolarHBondContact OD1-CA 3.36Å; D1773-D1775 WeakPolarHBondContact OD1-CB 3.27Å; D1773-D1775 PolarHBondContact OD1-N 2.99Å; D1775-M1777 VanDerWaalsContact C-N 3.3Å; D1775-M1777 HydrophobicContact CB-CG 4.43Å; D1775-M1777 PolarHBondContact O-N 2.83Å |
| 1776 | C | 86.3 | Confident | 83.9 | Confident | 17.8 Ų | 17.8 | 25.7 Ų | 25.7 | 12% | 0.12 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 68.7 | 20.5 | -178.9 | -35.5 | 0 | 0 | 0 | 0 | 113.5 | D1773 L1774 V1810 S1811 S1812 H1813 | D1773-C1776 PolarHBondContact O-N 3.28Å; D1773-C1776 PolarHBondContact OD1-N 3.12Å; D1773-C1776 VanDerWaalsContact OD1-N 3.12Å; L1774-C1776 VanDerWaalsContact C-N 3.26Å; L1774-C1776 PolarHBondContact O-N 3.36Å; C1776-V1810 PolarHBondContact O-N 3.1Å; C1776-S1811 VanDerWaalsContact CB-O 3.24Å; C1776-S1811 WeakPolarHBondContact CB-O 3.45Å; C1776-S1812 VanDerWaalsContact SG-C 3.53Å; C1776-H1813 VanDerWaalsContact CB-O 3.3Å; C1776-H1813 WeakPolarHBondContact CB-O 3.31Å; C1776-H1813 PolarHBondContact SG-N 2.96Å; C1776-H1813 PolarHBondContact SG-O 2.99Å |
| 1777 | M | 88 | Confident | 83 | Confident | 36.6 Ų | 36.6 | 26.5 Ų | 26.5 | 18% | 0.18 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.1 | -180 | -64.8 | -64.7 | -76.2 | 0 | 0 | 111.9 | D1773 D1775 Y1779 I1808 N1809 I1815 | D1773-M1777 PolarHBondContact N-O 3.3Å; D1773-M1777 PolarHBondContact OD1-N 3.11Å; D1775-M1777 VanDerWaalsContact C-N 3.3Å; D1775-M1777 HydrophobicContact CB-CG 4.43Å; D1775-M1777 PolarHBondContact O-N 2.83Å; M1777-Y1779 HydrophobicContact CB-CD2 4.35Å; M1777-Y1779 HydrophobicContact CB-CE2 3.81Å; M1777-Y1779 HydrophobicContact CG-CE2 4.48Å; M1777-I1808 WeakPolarHBondContact CA-O 3.37Å; M1777-N1809 HydrophobicContact CE-CB 4.19Å; M1777-N1809 VanDerWaalsContact SD-CA 3.54Å; M1777-N1809 HydrophobicContact SD-CB 3.58Å; M1777-N1809 VanDerWaalsContact SD-CB 3.58Å; M1777-N1809 WeakPolarHBondContact SD-CB 3.21Å; M1777-I1815 WeakPolarHBondContact O-CD1 3.41Å |
| 1778 | V | 89.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.5 | 165 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | A1770 T1771 L1780 S1807 I1808 V1810 I1815 I1818 L1838 I1840 | A1770-V1778 HydrophobicContact CB-CG1 4.38Å; T1771-V1778 CarbonylContact O-C 3.53Å; T1771-V1778 VanDerWaalsContact O-CA 3.25Å; T1771-V1778 WeakPolarHBondContact O-CA 3.26Å; V1778-L1780 HydrophobicContact CG1-CD2 4.32Å; V1778-S1807 CarbonylContact O-C 3.5Å; V1778-S1807 WeakPolarHBondContact O-CA 3.23Å; V1778-I1808 HydrophobicContact CB-CB 4.32Å; V1778-I1808 HydrophobicContact CG1-CD1 4.33Å; V1778-I1808 PolarHBondContact N-O 3.08Å; V1778-I1808 PolarHBondContact O-N 2.85Å; V1778-V1810 HydrophobicContact CB-CG2 4.37Å; V1778-V1810 HydrophobicContact CG2-CG2 3.95Å; V1778-I1815 HydrophobicContact CB-CD1 4.43Å; V1778-I1815 HydrophobicContact CG2-CD1 3.44Å; V1778-I1815 VanDerWaalsContact CG2-CD1 3.44Å; V1778-I1815 HydrophobicContact CG2-CG1 4.32Å; V1778-I1815 HydrophobicContact CG2-CG2 4.48Å; V1778-I1818 HydrophobicContact CB-CD1 4.43Å; V1778-I1818 HydrophobicContact CG1-CD1 3.98Å; V1778-I1818 HydrophobicContact CG2-CD1 3.68Å; V1778-I1818 HydrophobicContact CG2-CG1 4.47Å; V1778-L1838 HydrophobicContact CG1-CD2 4.42Å; V1778-I1840 HydrophobicContact CB-CD1 4.39Å; V1778-I1840 HydrophobicContact CG2-CD1 3.96Å; V1778-I1840 HydrophobicContact CG2-CG1 4.34Å; V1778-I1840 HydrophobicContact CG2-CG2 4.09Å |
| 1779 | Y | 90 | Very high | 79.7 | Confident | 34.4 Ų | 34.4 | 33.7 Ų | 33.7 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.3 | 171.5 | -69.4 | -88.3 | 0 | 0 | 0 | 110.4 | Y1752 H1753 A1770 T1771 M1777 W1781 P1804 K1806 S1807 | Y1752-Y1779 HydrophobicContact CD1-CE1 4.39Å; Y1752-Y1779 PolarHBondContact O-OH 3.11Å; H1753-Y1779 AromaticContact CE1-CD2 3.29Å; H1753-Y1779 VanDerWaalsContact CE1-CD2 3.44Å; H1753-Y1779 WeakPolarHBondContact CE1-CD2 3.4Å; H1753-Y1779 AromaticContact CE1-CE2 3.83Å; H1753-Y1779 AromaticContact ND1-CD2 3.63Å; H1753-Y1779 AromaticContact ND1-CE2 3.74Å; H1753-Y1779 AromaticContact NE2-CD2 3.8Å; A1770-Y1779 CarbonylContact C-O 3.52Å; A1770-Y1779 WeakPolarHBondContact CA-O 3.35Å; T1771-Y1779 PolarHBondContact N-O 2.97Å; T1771-Y1779 PolarHBondContact O-N 3.27Å; M1777-Y1779 HydrophobicContact CB-CD2 4.35Å; M1777-Y1779 HydrophobicContact CB-CE2 3.81Å; M1777-Y1779 HydrophobicContact CG-CE2 4.48Å; Y1779-W1781 HydrophobicContact CG-CZ2 4.22Å; Y1779-W1781 PolarHBondContact O-NE1 3.14Å; Y1779-P1804 HydrophobicContact CD1-CB 3.7Å; Y1779-P1804 HydrophobicContact CD1-CG 3.71Å; Y1779-P1804 HydrophobicContact CE1-CG 4.19Å; Y1779-P1804 HydrophobicContact CG-CB 4.32Å; Y1779-K1806 WeakPolarHBondContact CA-O 3.35Å; Y1779-S1807 VanDerWaalsContact CE1-CB 3.42Å |
| 1780 | L | 89.2 | Confident | 77.4 | Confident | 0.4 Ų | 0.4 | 38 Ų | 38 | 0% | 0.002 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.1 | 173 | -58.4 | 177.7 | 0 | 0 | 0 | 109.6 | V1769 A1770 V1778 P1804 F1805 K1806 I1808 F1820 L1838 Y1850 L1852 L1855 | V1769-L1780 CarbonylContact O-C 3.57Å; V1769-L1780 VanDerWaalsContact O-CA 3.31Å; V1769-L1780 WeakPolarHBondContact O-CA 3.39Å; A1770-L1780 HydrophobicContact CB-CD2 3.57Å; V1778-L1780 HydrophobicContact CG1-CD2 4.32Å; L1780-P1804 CarbonylContact O-C 3.54Å; L1780-P1804 WeakPolarHBondContact O-CA 3.22Å; L1780-F1805 HydrophobicContact CB-CD1 4.04Å; L1780-F1805 HydrophobicContact CB-CE1 3.32Å; L1780-F1805 HydrophobicContact CB-CZ 3.68Å; L1780-F1805 HydrophobicContact CD1-CE1 4.26Å; L1780-F1805 HydrophobicContact CD1-CZ 3.94Å; L1780-F1805 HydrophobicContact CG-CE1 4.4Å; L1780-F1805 HydrophobicContact CG-CZ 4.47Å; L1780-F1805 VanDerWaalsContact O-CD1 3.22Å; L1780-F1805 WeakPolarHBondContact O-CD1 3.35Å; L1780-F1805 PolarHBondContact O-N 3Å; L1780-F1805 VanDerWaalsContact O-N 3.14Å; L1780-K1806 HydrophobicContact CB-CB 4.32Å; L1780-K1806 HydrophobicContact CD1-CB 4.41Å; L1780-K1806 PolarHBondContact N-O 3.11Å; L1780-K1806 PolarHBondContact O-N 3.05Å; L1780-I1808 HydrophobicContact CD1-CD1 4.08Å; L1780-I1808 HydrophobicContact CG-CD1 4.33Å; L1780-F1820 HydrophobicContact CD2-CZ 4.41Å; L1780-L1838 HydrophobicContact CD2-CD2 4.26Å; L1780-Y1850 HydrophobicContact CD1-CE1 4.38Å; L1780-L1852 HydrophobicContact CD1-CD2 4.28Å; L1780-L1855 HydrophobicContact CD1-CD2 3.62Å |
| 1781 | W | 87.9 | Confident | 75 | Confident | 1.2 Ų | 1.2 | 42.4 Ų | 42.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.1 | -174.6 | -41.5 | 80.3 | 0 | 0 | 0 | 109.2 | I1721 L1749 Y1752 H1753 L1768 V1769 T1771 Y1779 P1804 | I1721-W1781 HydrophobicContact CD1-CZ2 4.23Å; L1749-W1781 HydrophobicContact CB-CD2 4.34Å; L1749-W1781 HydrophobicContact CB-CE3 4.14Å; L1749-W1781 HydrophobicContact CB-CH2 3.97Å; L1749-W1781 HydrophobicContact CB-CZ2 4.35Å; L1749-W1781 HydrophobicContact CB-CZ3 3.8Å; L1749-W1781 HydrophobicContact CD1-CD2 3.99Å; L1749-W1781 HydrophobicContact CD1-CE3 4.19Å; L1749-W1781 HydrophobicContact CD1-CG 4.24Å; L1749-W1781 HydrophobicContact CD2-CB 4Å; L1749-W1781 HydrophobicContact CD2-CD2 3.73Å; L1749-W1781 HydrophobicContact CD2-CE3 3.45Å; L1749-W1781 VanDerWaalsContact CD2-CE3 3.46Å; L1749-W1781 HydrophobicContact CD2-CG 3.84Å; L1749-W1781 HydrophobicContact CD2-CH2 4.42Å; L1749-W1781 HydrophobicContact CD2-CZ3 3.96Å; L1749-W1781 HydrophobicContact CG-CD2 4.43Å; L1749-W1781 HydrophobicContact CG-CE3 4.24Å; L1749-W1781 HydrophobicContact CG-CZ3 4.38Å; L1749-W1781 WeakPolarHBondContact O-CH2 3.29Å; Y1752-W1781 AromaticContact CD2-CH2 3.57Å; Y1752-W1781 HydrophobicContact CD2-CH2 3.57Å; Y1752-W1781 VanDerWaalsContact CD2-CH2 3.48Å; Y1752-W1781 AromaticContact CD2-CZ3 3.8Å; Y1752-W1781 HydrophobicContact CD2-CZ3 3.8Å; Y1752-W1781 HydrophobicContact CE2-CH2 4.29Å; Y1752-W1781 HydrophobicContact CE2-CZ3 4.21Å; Y1752-W1781 AromaticContact CG-CH2 3.86Å; Y1752-W1781 HydrophobicContact CG-CH2 3.89Å; Y1752-W1781 HydrophobicContact CG-CZ3 4.36Å; H1753-W1781 AromaticContact NE2-CZ2 3.74Å; L1768-W1781 WeakPolarHBondContact CA-O 3.24Å; V1769-W1781 HydrophobicContact CB-CB 4.18Å; V1769-W1781 HydrophobicContact CB-CG 4.47Å; V1769-W1781 HydrophobicContact CG1-CG 4.44Å; V1769-W1781 PolarHBondContact N-O 3.15Å; V1769-W1781 PolarHBondContact O-N 3.1Å; T1771-W1781 PolarHBondContact OG1-NE1 3Å; Y1779-W1781 HydrophobicContact CG-CZ2 4.22Å; Y1779-W1781 PolarHBondContact O-NE1 3.14Å; W1781-P1804 HydrophobicContact CD2-CB 4.04Å; W1781-P1804 HydrophobicContact CE3-CB 3.73Å; W1781-P1804 HydrophobicContact CE3-CG 4.37Å; W1781-P1804 HydrophobicContact CH2-CB 4.07Å; W1781-P1804 HydrophobicContact CH2-CG 4.11Å; W1781-P1804 HydrophobicContact CZ2-CB 4.3Å; W1781-P1804 HydrophobicContact CZ3-CB 3.78Å; W1781-P1804 VanDerWaalsContact CZ3-CD 3.42Å; W1781-P1804 HydrophobicContact CZ3-CG 3.93Å |
| 1782 | D | 84.6 | Confident | 72.5 | Confident | 40.8 Ų | 40.8 | 50.6 Ų | 50.6 | 22% | 0.218 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110 | 177.3 | -176.4 | 1.3 | 0 | 0 | 0 | 108.8 | L1768 S1784 Q1785 F1805 | L1768-D1782 HydrophobicContact CD2-CB 4.14Å; D1782-S1784 VanDerWaalsContact C-N 3.32Å; D1782-S1784 VanDerWaalsContact CG-OG 3.27Å; D1782-S1784 VanDerWaalsContact OD1-CB 3.31Å; D1782-S1784 WeakPolarHBondContact OD1-CB 3.27Å; D1782-S1784 PolarHBondContact OD1-N 3.04Å; D1782-S1784 VanDerWaalsContact OD1-N 3.12Å; D1782-S1784 PolarHBondContact OD1-OG 3.16Å; D1782-S1784 PolarHBondContact OD2-OG 3.01Å; D1782-Q1785 HydrophobicContact CB-CG 4.38Å; D1782-Q1785 PolarHBondContact OD2-NE2 3.4Å; D1782-F1805 HydrophobicContact CB-CD1 4.18Å |
| 1783 | V | 80.7 | Confident | 69.8 | Low | 2.6 Ų | 2.6 | 57 Ų | 57 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -81.6 | -16.1 | -175.8 | 178 | 0 | 0 | 0 | 0 | 111.2 | L1690 W1711 I1723 W1762 Q1767 V1769 Q1785 I1786 | L1690-V1783 HydrophobicContact CD1-CG1 4.33Å; W1711-V1783 HydrophobicContact CE3-CG1 4.17Å; W1711-V1783 HydrophobicContact CZ3-CG1 3.8Å; I1723-V1783 HydrophobicContact CD1-CG2 4.36Å; W1762-V1783 HydrophobicContact CH2-CB 3.93Å; W1762-V1783 HydrophobicContact CH2-CG1 4.18Å; W1762-V1783 HydrophobicContact CH2-CG2 4.2Å; W1762-V1783 HydrophobicContact CZ3-CB 3.86Å; W1762-V1783 HydrophobicContact CZ3-CG1 4.42Å; W1762-V1783 HydrophobicContact CZ3-CG2 3.64Å; Q1767-V1783 WeakPolarHBondContact O-CB 3.37Å; Q1767-V1783 PolarHBondContact O-N 2.98Å; Q1767-V1783 VanDerWaalsContact O-N 3.09Å; V1769-V1783 HydrophobicContact CB-CG2 4.4Å; V1769-V1783 HydrophobicContact CG2-CG2 3.66Å; V1783-Q1785 PolarHBondContact O-N 2.97Å; V1783-I1786 HydrophobicContact CG1-CD1 3.87Å; V1783-I1786 HydrophobicContact CG1-CG1 4.42Å; V1783-I1786 WeakPolarHBondContact O-CB 3.27Å; V1783-I1786 WeakPolarHBondContact O-CG1 3.34Å; V1783-I1786 PolarHBondContact O-N 3.06Å |
| 1784 | S | 74.6 | Confident | 67.4 | Low | 53.8 Ų | 53.8 | 61.4 Ų | 61.4 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -60.4 | -18.1 | 177 | 71 | 0 | 0 | 0 | 0 | 113.5 | Q1767 D1782 I1786 D1787 V1788 | Q1767-S1784 VanDerWaalsContact OE1-CA 3.3Å; Q1767-S1784 VanDerWaalsContact OE1-CB 3.3Å; D1782-S1784 VanDerWaalsContact C-N 3.32Å; D1782-S1784 VanDerWaalsContact CG-OG 3.27Å; D1782-S1784 VanDerWaalsContact OD1-CB 3.31Å; D1782-S1784 WeakPolarHBondContact OD1-CB 3.27Å; D1782-S1784 PolarHBondContact OD1-N 3.04Å; D1782-S1784 VanDerWaalsContact OD1-N 3.12Å; D1782-S1784 PolarHBondContact OD1-OG 3.16Å; D1782-S1784 PolarHBondContact OD2-OG 3.01Å; S1784-I1786 VanDerWaalsContact C-N 3.29Å; S1784-I1786 PolarHBondContact O-N 3.16Å; S1784-D1787 PolarHBondContact O-N 2.95Å; S1784-V1788 PolarHBondContact O-N 2.99Å |
| 1785 | Q | 68.4 | Low | 65.2 | Low | 91.4 Ų | 91.4 | 67.4 Ų | 67.4 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -72.3 | -13.1 | 176.4 | -62.3 | -176.7 | 12.4 | 0 | 0 | 113.9 | D1782 V1783 D1787 K1789 L1802 | D1782-Q1785 HydrophobicContact CB-CG 4.38Å; D1782-Q1785 PolarHBondContact OD2-NE2 3.4Å; V1783-Q1785 PolarHBondContact O-N 2.97Å; Q1785-D1787 PolarHBondContact O-N 3.05Å; Q1785-D1787 VanDerWaalsContact O-N 3.13Å; Q1785-K1789 WeakPolarHBondContact O-CB 3.15Å; Q1785-K1789 VanDerWaalsContact O-CG 3.3Å; Q1785-K1789 WeakPolarHBondContact O-CG 2.86Å; Q1785-K1789 PolarHBondContact O-N 2.77Å; Q1785-L1802 HydrophobicContact CB-CD2 3.76Å |
| 1786 | I | 67.7 | Low | 63 | Low | 15.2 Ų | 15.2 | 68.6 Ų | 68.6 | 8% | 0.078 | 39% | 0.389 | C | S | . | . | trans | -76.8 | 45.2 | 175.7 | -55.6 | 178.8 | 0 | 0 | 0 | 109.3 | W1711 I1723 A1747 V1783 S1784 V1788 K1789 S1790 L1802 | W1711-I1786 HydrophobicContact CH2-CB 4.27Å; W1711-I1786 HydrophobicContact CH2-CG2 4.29Å; W1711-I1786 HydrophobicContact CZ3-CB 4.39Å; W1711-I1786 HydrophobicContact CZ3-CD1 4.29Å; I1723-I1786 HydrophobicContact CD1-CD1 3.94Å; I1723-I1786 HydrophobicContact CG2-CD1 4.47Å; A1747-I1786 HydrophobicContact CB-CD1 4.13Å; A1747-I1786 HydrophobicContact CB-CG1 4.31Å; V1783-I1786 HydrophobicContact CG1-CD1 3.87Å; V1783-I1786 HydrophobicContact CG1-CG1 4.42Å; V1783-I1786 WeakPolarHBondContact O-CB 3.27Å; V1783-I1786 WeakPolarHBondContact O-CG1 3.34Å; V1783-I1786 PolarHBondContact O-N 3.06Å; S1784-I1786 VanDerWaalsContact C-N 3.29Å; S1784-I1786 PolarHBondContact O-N 3.16Å; I1786-V1788 VanDerWaalsContact C-N 3.31Å; I1786-V1788 HydrophobicContact CG2-CG2 3.98Å; I1786-V1788 PolarHBondContact O-N 3.05Å; I1786-V1788 VanDerWaalsContact O-N 3.1Å; I1786-K1789 PolarHBondContact O-N 3.22Å; I1786-K1789 VanDerWaalsContact O-N 3.16Å; I1786-S1790 VanDerWaalsContact O-CB 3.24Å; I1786-S1790 WeakPolarHBondContact O-CB 3.41Å; I1786-S1790 PolarHBondContact O-N 2.97Å; I1786-S1790 PolarHBondContact O-OG 3.14Å; I1786-L1802 HydrophobicContact CD1-CD1 3.77Å; I1786-L1802 HydrophobicContact CG1-CD1 3.76Å; I1786-L1802 HydrophobicContact CG1-CD2 4.36Å; I1786-L1802 HydrophobicContact CG1-CG 4.36Å | ||
| 1787 | D | 57 | Low | 61 | Low | 103.2 Ų | 103.2 | 72.8 Ų | 72.8 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | trans | -72.5 | 50.5 | -180 | -105.7 | -14.8 | 0 | 0 | 0 | 111.8 | W1711 S1784 Q1785 K1789 S1790 S1791 | W1711-D1787 WeakPolarHBondContact CH2-OD1 3.22Å; S1784-D1787 PolarHBondContact O-N 2.95Å; Q1785-D1787 PolarHBondContact O-N 3.05Å; Q1785-D1787 VanDerWaalsContact O-N 3.13Å; D1787-K1789 VanDerWaalsContact C-N 3.3Å; D1787-K1789 PolarHBondContact O-N 3.07Å; D1787-K1789 VanDerWaalsContact O-N 3.16Å; D1787-S1790 PolarHBondContact O-N 2.81Å; D1787-S1790 PolarHBondContact O-OG 3.11Å; D1787-S1790 VanDerWaalsContact O-OG 3.13Å; D1787-S1791 PolarHBondContact O-N 3.5Å | ||
| 1788 | V | 53.2 | Low | 59 | Low | 82.6 Ų | 82.6 | 75.8 Ų | 75.8 | 50% | 0.501 | 44% | 0.437 | S | S | . | . | trans | -72.1 | -18.3 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | W1711 S1784 I1786 S1790 S1791 E1792 | W1711-V1788 HydrophobicContact CH2-CG2 4.21Å; W1711-V1788 HydrophobicContact CZ2-CB 4.47Å; W1711-V1788 HydrophobicContact CZ2-CG2 3.84Å; S1784-V1788 PolarHBondContact O-N 2.99Å; I1786-V1788 VanDerWaalsContact C-N 3.31Å; I1786-V1788 HydrophobicContact CG2-CG2 3.98Å; I1786-V1788 PolarHBondContact O-N 3.05Å; I1786-V1788 VanDerWaalsContact O-N 3.1Å; V1788-S1790 VanDerWaalsContact C-N 3.31Å; V1788-S1790 PolarHBondContact O-N 3.38Å; V1788-S1791 PolarHBondContact O-N 3.15Å; V1788-S1791 PolarHBondContact O-OG 3.27Å; V1788-E1792 PolarHBondContact O-N 3Å | ||
| 1789 | K | 44.1 | Very low | 57.3 | Low | 149.2 Ų | 149.2 | 78.4 Ų | 78.4 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -79.4 | -4.1 | -173.9 | -73.2 | 178.6 | 179.4 | 168.2 | 0 | 115 | Q1785 I1786 D1787 S1791 E1792 L1793 V1800 | Q1785-K1789 WeakPolarHBondContact O-CB 3.15Å; Q1785-K1789 VanDerWaalsContact O-CG 3.3Å; Q1785-K1789 WeakPolarHBondContact O-CG 2.86Å; Q1785-K1789 PolarHBondContact O-N 2.77Å; I1786-K1789 PolarHBondContact O-N 3.22Å; I1786-K1789 VanDerWaalsContact O-N 3.16Å; D1787-K1789 VanDerWaalsContact C-N 3.3Å; D1787-K1789 PolarHBondContact O-N 3.07Å; D1787-K1789 VanDerWaalsContact O-N 3.16Å; K1789-S1791 VanDerWaalsContact C-N 3.28Å; K1789-S1791 PolarHBondContact O-N 3.24Å; K1789-E1792 PolarHBondContact O-N 3.04Å; K1789-L1793 WeakPolarHBondContact O-CB 3.08Å; K1789-L1793 PolarHBondContact O-N 2.93Å; K1789-V1800 HydrophobicContact CB-CG1 4.44Å; K1789-V1800 HydrophobicContact CB-CG2 4.33Å; K1789-V1800 HydrophobicContact CD-CG1 3.94Å |
| 1790 | S | 40.1 | Very low | 56.2 | Low | 89.4 Ų | 89.4 | 79.3 Ų | 79.3 | 63% | 0.625 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -100.1 | 26.3 | -179.3 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | I1786 D1787 V1788 E1792 L1793 S1794 | I1786-S1790 VanDerWaalsContact O-CB 3.24Å; I1786-S1790 WeakPolarHBondContact O-CB 3.41Å; I1786-S1790 PolarHBondContact O-N 2.97Å; I1786-S1790 PolarHBondContact O-OG 3.14Å; D1787-S1790 PolarHBondContact O-N 2.81Å; D1787-S1790 PolarHBondContact O-OG 3.11Å; D1787-S1790 VanDerWaalsContact O-OG 3.13Å; V1788-S1790 VanDerWaalsContact C-N 3.31Å; V1788-S1790 PolarHBondContact O-N 3.38Å; S1790-E1792 VanDerWaalsContact C-N 3.31Å; S1790-E1792 PolarHBondContact O-N 3.04Å; S1790-E1792 VanDerWaalsContact O-N 3.13Å; S1790-L1793 PolarHBondContact O-N 2.97Å; S1790-S1794 PolarHBondContact O-N 3.14Å |
| 1791 | S | 39 | Very low | 55.1 | Low | 93.2 Ų | 93.2 | 85.4 Ų | 85.4 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | trans | -105.4 | 36.6 | 165.5 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | D1787 V1788 K1789 L1793 | D1787-S1791 PolarHBondContact O-N 3.5Å; V1788-S1791 PolarHBondContact O-N 3.15Å; V1788-S1791 PolarHBondContact O-OG 3.27Å; K1789-S1791 VanDerWaalsContact C-N 3.28Å; K1789-S1791 PolarHBondContact O-N 3.24Å; S1791-L1793 VanDerWaalsContact C-N 3.26Å; S1791-L1793 PolarHBondContact O-N 2.97Å | ||
| 1792 | E | 37.3 | Very low | 54.4 | Low | 171.6 Ų | 171.6 | 85.5 Ų | 85.5 | 80% | 0.802 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -93.9 | 21.2 | 174.7 | -75.4 | -178.8 | 174.3 | 0 | 0 | 112.6 | V1788 K1789 S1790 | V1788-E1792 PolarHBondContact O-N 3Å; K1789-E1792 PolarHBondContact O-N 3.04Å; S1790-E1792 VanDerWaalsContact C-N 3.31Å; S1790-E1792 PolarHBondContact O-N 3.04Å; S1790-E1792 VanDerWaalsContact O-N 3.13Å |
| 1793 | L | 34.3 | Very low | 54.1 | Low | 135.8 Ų | 135.8 | 89 Ų | 89 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -88.9 | 60.7 | 170.7 | -92.1 | 91.5 | 0 | 0 | 0 | 115.9 | K1789 S1790 S1791 T1795 S1796 | K1789-L1793 WeakPolarHBondContact O-CB 3.08Å; K1789-L1793 PolarHBondContact O-N 2.93Å; S1790-L1793 PolarHBondContact O-N 2.97Å; S1791-L1793 VanDerWaalsContact C-N 3.26Å; S1791-L1793 PolarHBondContact O-N 2.97Å; L1793-T1795 PolarHBondContact O-N 3.28Å; L1793-S1796 PolarHBondContact O-N 3.4Å |
| 1794 | S | 36.3 | Very low | 54.1 | Low | 93.4 Ų | 93.4 | 90.1 Ų | 90.1 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | trans | -124.7 | 82.9 | 162 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | S1790 S1796 | S1790-S1794 PolarHBondContact O-N 3.14Å; S1794-S1796 PolarHBondContact O-N 3.03Å | ||
| 1795 | T | 38.9 | Very low | 54.5 | Low | 149.6 Ų | 149.6 | 92.2 Ų | 92.2 | 92% | 0.918 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -95 | 20.4 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | L1793 | L1793-T1795 PolarHBondContact O-N 3.28Š|
| 1796 | S | 35.6 | Very low | 55.2 | Low | 78.4 Ų | 78.4 | 92.3 Ų | 92.3 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | trans | -143.2 | 94.7 | 179.9 | 139.5 | 0 | 0 | 0 | 0 | 111.3 | L1793 S1794 C1798 | L1793-S1796 PolarHBondContact O-N 3.4Å; S1794-S1796 PolarHBondContact O-N 3.03Å; S1796-C1798 VanDerWaalsContact C-N 3.29Å; S1796-C1798 PolarHBondContact O-N 3.05Å | ||
| 1797 | V | 44.9 | Very low | 56.1 | Low | 105.2 Ų | 105.2 | 94.6 Ų | 94.6 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | trans | -75.4 | 82.9 | 179 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | R1625 S1799 | R1625-V1797 HydrophobicContact CG-CG1 3.92Å; R1625-V1797 VanDerWaalsContact CZ-C 3.44Å; R1625-V1797 VanDerWaalsContact CZ-CA 3.45Å; R1625-V1797 PolarHBondContact NE-O 3.28Å; R1625-V1797 PolarHBondContact NH2-O 2.77Å; V1797-S1799 PolarHBondContact O-N 2.73Å | ||
| 1798 | C | 45.3 | Very low | 57.5 | Low | 100.2 Ų | 100.2 | 90.4 Ų | 90.4 | 68% | 0.677 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 129.8 | 171.7 | -70 | 0 | 0 | 0 | 0 | 109.7 | S1796 V1800 | S1796-C1798 VanDerWaalsContact C-N 3.29Å; S1796-C1798 PolarHBondContact O-N 3.05Å; C1798-V1800 PolarHBondContact O-N 3.15Å |
| 1799 | S | 54.7 | Low | 58.9 | Low | 54.8 Ų | 54.8 | 91.8 Ų | 91.8 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 131.3 | 175 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | L1746 S1748 V1797 K1801 | L1746-S1799 WeakPolarHBondContact O-CA 3.37Å; S1748-S1799 PolarHBondContact OG-OG 3.28Å; V1797-S1799 PolarHBondContact O-N 2.73Å; S1799-K1801 PolarHBondContact O-N 3.15Å |
| 1800 | V | 66.4 | Low | 60.6 | Low | 52.6 Ų | 52.6 | 85.4 Ų | 85.4 | 32% | 0.319 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.2 | 177 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | L1746 A1747 S1748 K1789 C1798 L1802 | L1746-V1800 PolarHBondContact O-N 3.21Å; L1746-V1800 VanDerWaalsContact O-N 3.09Å; A1747-V1800 CarbonylContact C-O 3.5Å; A1747-V1800 VanDerWaalsContact CA-O 3.26Å; A1747-V1800 WeakPolarHBondContact CA-O 3.32Å; A1747-V1800 HydrophobicContact CB-CB 4.35Å; A1747-V1800 VanDerWaalsContact CB-O 3.28Å; A1747-V1800 WeakPolarHBondContact CB-O 3.43Å; S1748-V1800 PolarHBondContact N-O 3.16Å; S1748-V1800 VanDerWaalsContact N-O 3.16Å; K1789-V1800 HydrophobicContact CB-CG1 4.44Å; K1789-V1800 HydrophobicContact CB-CG2 4.33Å; K1789-V1800 HydrophobicContact CD-CG1 3.94Å; C1798-V1800 PolarHBondContact O-N 3.15Å; V1800-L1802 HydrophobicContact CG1-CG 4.44Å; V1800-L1802 PolarHBondContact O-N 3.02Å |
| 1801 | K | 65.7 | Low | 62.1 | Low | 128.6 Ų | 128.6 | 82.2 Ų | 82.2 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 109.8 | 170.6 | -132.4 | 178 | -178.3 | 177.1 | 0 | 109.1 | S1748 C1750 S1799 | S1748-K1801 WeakPolarHBondContact O-CA 3.35Å; C1750-K1801 VanDerWaalsContact O-CE 3.32Å; C1750-K1801 WeakPolarHBondContact O-CE 3.45Å; C1750-K1801 PolarHBondContact O-NZ 2.76Å; S1799-K1801 PolarHBondContact O-N 3.15Å |
| 1802 | L | 73 | Confident | 63.8 | Low | 4.4 Ų | 4.4 | 82.6 Ų | 82.6 | 2% | 0.023 | 47% | 0.468 | C | S | . | . | trans | -86.1 | 144.2 | 175.4 | -76.6 | 159.7 | 0 | 0 | 0 | 110.3 | I1723 A1747 S1748 L1749 Y1752 Q1785 I1786 V1800 | I1723-L1802 HydrophobicContact CD1-CD1 4.25Å; A1747-L1802 HydrophobicContact CB-CD1 4.18Å; S1748-L1802 PolarHBondContact O-N 3.12Å; L1749-L1802 HydrophobicContact CD2-CB 3.67Å; L1749-L1802 VanDerWaalsContact CD2-CB 3.41Å; L1749-L1802 HydrophobicContact CD2-CD1 3.88Å; L1749-L1802 HydrophobicContact CD2-CG 4.3Å; L1749-L1802 HydrophobicContact CG-CB 4.16Å; L1749-L1802 HydrophobicContact CG-CD1 4.34Å; Y1752-L1802 WeakPolarHBondContact CE2-O 2.78Å; Q1785-L1802 HydrophobicContact CB-CD2 3.76Å; I1786-L1802 HydrophobicContact CD1-CD1 3.77Å; I1786-L1802 HydrophobicContact CG1-CD1 3.76Å; I1786-L1802 HydrophobicContact CG1-CD2 4.36Å; I1786-L1802 HydrophobicContact CG1-CG 4.36Å; V1800-L1802 HydrophobicContact CG1-CG 4.44Å; V1800-L1802 PolarHBondContact O-N 3.02Å | ||
| 1803 | H | 78 | Confident | 66 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | trans | -104.7 | 139.8 | 174.3 | -69.3 | -80.9 | 0 | 0 | 0 | 109 | Y1752 F1805 | Y1752-H1803 AromaticContact CE2-ND1 3.68Å; Y1752-H1803 AromaticContact CZ-ND1 3.58Å; Y1752-H1803 PolarHBondContact OH-CE1 2.9Å; Y1752-H1803 VanDerWaalsContact OH-CE1 3.29Å; Y1752-H1803 PolarHBondContact OH-ND1 3Å; Y1752-H1803 PolarHBondContact OH-NE2 2.81Å; H1803-F1805 PolarHBondContact O-N 2.73Å | ||
| 1804 | P | 81.3 | Confident | 68.4 | Low | 26.6 Ų | 26.6 | 73.1 Ų | 73.1 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | trans | -67.7 | 131.5 | 176.2 | 28.6 | -30.6 | 0 | 0 | 0 | 108.6 | Y1752 Y1779 L1780 W1781 K1806 | Y1752-P1804 HydrophobicContact CD1-CG 3.62Å; Y1752-P1804 VanDerWaalsContact CD1-CG 3.49Å; Y1752-P1804 HydrophobicContact CD2-CG 4.24Å; Y1752-P1804 VanDerWaalsContact CE1-CD 3.48Å; Y1752-P1804 HydrophobicContact CE1-CG 3.81Å; Y1752-P1804 VanDerWaalsContact CE2-CD 3.44Å; Y1752-P1804 HydrophobicContact CE2-CG 4.36Å; Y1752-P1804 HydrophobicContact CG-CG 3.9Å; Y1752-P1804 VanDerWaalsContact CZ-CD 3.42Å; Y1779-P1804 HydrophobicContact CD1-CB 3.7Å; Y1779-P1804 HydrophobicContact CD1-CG 3.71Å; Y1779-P1804 HydrophobicContact CE1-CG 4.19Å; Y1779-P1804 HydrophobicContact CG-CB 4.32Å; L1780-P1804 CarbonylContact O-C 3.54Å; L1780-P1804 WeakPolarHBondContact O-CA 3.22Å; W1781-P1804 HydrophobicContact CD2-CB 4.04Å; W1781-P1804 HydrophobicContact CE3-CB 3.73Å; W1781-P1804 HydrophobicContact CE3-CG 4.37Å; W1781-P1804 HydrophobicContact CH2-CB 4.07Å; W1781-P1804 HydrophobicContact CH2-CG 4.11Å; W1781-P1804 HydrophobicContact CZ2-CB 4.3Å; W1781-P1804 HydrophobicContact CZ3-CB 3.78Å; W1781-P1804 VanDerWaalsContact CZ3-CD 3.42Å; W1781-P1804 HydrophobicContact CZ3-CG 3.93Å; P1804-K1806 VanDerWaalsContact C-N 3.29Å; P1804-K1806 PolarHBondContact O-N 2.94Å | ||
| 1805 | F | 82.6 | Confident | 70.8 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -77.9 | -22.7 | 177.9 | 82.9 | -90 | 0 | 0 | 0 | 111.3 | L1768 L1780 D1782 H1803 L1855 | L1768-F1805 HydrophobicContact CD1-CE1 4.38Å; L1768-F1805 HydrophobicContact CD1-CZ 4.33Å; L1768-F1805 HydrophobicContact CD2-CD1 4.32Å; L1768-F1805 HydrophobicContact CD2-CE1 3.56Å; L1768-F1805 VanDerWaalsContact CD2-CE1 3.49Å; L1768-F1805 HydrophobicContact CD2-CZ 4.15Å; L1768-F1805 HydrophobicContact CG-CE1 4.45Å; L1780-F1805 HydrophobicContact CB-CD1 4.04Å; L1780-F1805 HydrophobicContact CB-CE1 3.32Å; L1780-F1805 HydrophobicContact CB-CZ 3.68Å; L1780-F1805 HydrophobicContact CD1-CE1 4.26Å; L1780-F1805 HydrophobicContact CD1-CZ 3.94Å; L1780-F1805 HydrophobicContact CG-CE1 4.4Å; L1780-F1805 HydrophobicContact CG-CZ 4.47Å; L1780-F1805 VanDerWaalsContact O-CD1 3.22Å; L1780-F1805 WeakPolarHBondContact O-CD1 3.35Å; L1780-F1805 PolarHBondContact O-N 3Å; L1780-F1805 VanDerWaalsContact O-N 3.14Å; D1782-F1805 HydrophobicContact CB-CD1 4.18Å; H1803-F1805 PolarHBondContact O-N 2.73Å; F1805-L1855 HydrophobicContact CE2-CD1 4.24Å; F1805-L1855 HydrophobicContact CE2-CD2 4.42Å |
| 1806 | K | 84.5 | Confident | 73.1 | Confident | 94.6 Ų | 94.6 | 61.6 Ų | 61.6 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142.4 | 177.3 | -166.6 | 69.8 | 177.9 | -177.6 | 0 | 112.2 | Y1779 L1780 P1804 I1808 L1855 | Y1779-K1806 WeakPolarHBondContact CA-O 3.35Å; L1780-K1806 HydrophobicContact CB-CB 4.32Å; L1780-K1806 HydrophobicContact CD1-CB 4.41Å; L1780-K1806 PolarHBondContact N-O 3.11Å; L1780-K1806 PolarHBondContact O-N 3.05Å; P1804-K1806 VanDerWaalsContact C-N 3.29Å; P1804-K1806 PolarHBondContact O-N 2.94Å; K1806-I1808 HydrophobicContact CG-CG1 4.18Å; K1806-L1855 HydrophobicContact CB-CD1 4.33Å; K1806-L1855 HydrophobicContact CD-CD1 4.09Å; K1806-L1855 HydrophobicContact CD-CD2 4.48Å; K1806-L1855 HydrophobicContact CG-CD1 3.85Å; K1806-L1855 HydrophobicContact CG-CD2 4.4Å |
| 1807 | S | 86.6 | Confident | 75.5 | Confident | 62.8 Ų | 62.8 | 58.2 Ų | 58.2 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.8 | 166 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | V1778 Y1779 | V1778-S1807 CarbonylContact O-C 3.5Å; V1778-S1807 WeakPolarHBondContact O-CA 3.23Å; Y1779-S1807 VanDerWaalsContact CE1-CB 3.42Å |
| 1808 | I | 85.4 | Confident | 77.7 | Confident | 14.4 Ų | 14.4 | 53.5 Ų | 53.5 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.8 | -179.3 | -52.3 | 171.1 | 0 | 0 | 0 | 107.2 | M1777 V1778 L1780 K1806 V1810 Y1850 L1855 | M1777-I1808 WeakPolarHBondContact CA-O 3.37Å; V1778-I1808 HydrophobicContact CB-CB 4.32Å; V1778-I1808 HydrophobicContact CG1-CD1 4.33Å; V1778-I1808 PolarHBondContact N-O 3.08Å; V1778-I1808 PolarHBondContact O-N 2.85Å; L1780-I1808 HydrophobicContact CD1-CD1 4.08Å; L1780-I1808 HydrophobicContact CG-CD1 4.33Å; K1806-I1808 HydrophobicContact CG-CG1 4.18Å; I1808-V1810 HydrophobicContact CB-CG2 4.39Å; I1808-V1810 HydrophobicContact CG2-CG2 3.78Å; I1808-Y1850 HydrophobicContact CD1-CD1 4.14Å; I1808-Y1850 HydrophobicContact CD1-CD2 4.23Å; I1808-Y1850 HydrophobicContact CD1-CE1 3.99Å; I1808-Y1850 HydrophobicContact CD1-CE2 3.85Å; I1808-Y1850 HydrophobicContact CD1-CG 4.32Å; I1808-Y1850 HydrophobicContact CG1-CE2 4.23Å; I1808-Y1850 HydrophobicContact CG2-CD1 4.27Å; I1808-Y1850 HydrophobicContact CG2-CD2 4.27Å; I1808-Y1850 HydrophobicContact CG2-CE1 3.63Å; I1808-Y1850 VanDerWaalsContact CG2-CE1 3.41Å; I1808-Y1850 HydrophobicContact CG2-CE2 4.23Å; I1808-Y1850 WeakPolarHBondContact CG2-OH 3.25Å; I1808-L1855 HydrophobicContact CD1-CD2 3.99Å |
| 1809 | N | 84 | Confident | 79.8 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.1 | 167.9 | -171.6 | -19.3 | 0 | 0 | 0 | 107.7 | M1777 S1811 | M1777-N1809 HydrophobicContact CE-CB 4.19Å; M1777-N1809 VanDerWaalsContact SD-CA 3.54Å; M1777-N1809 HydrophobicContact SD-CB 3.58Å; M1777-N1809 VanDerWaalsContact SD-CB 3.58Å; M1777-N1809 WeakPolarHBondContact SD-CB 3.21Å; N1809-S1811 PolarHBondContact OD1-O 3.04Å |
| 1810 | V | 78.7 | Confident | 81.4 | Confident | 15.4 Ų | 15.4 | 47.3 Ų | 47.3 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | trans | -93 | -48.9 | -167.5 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | C1776 V1778 I1808 I1815 I1840 H1848 Y1850 I1857 | C1776-V1810 PolarHBondContact O-N 3.1Å; V1778-V1810 HydrophobicContact CB-CG2 4.37Å; V1778-V1810 HydrophobicContact CG2-CG2 3.95Å; I1808-V1810 HydrophobicContact CB-CG2 4.39Å; I1808-V1810 HydrophobicContact CG2-CG2 3.78Å; V1810-I1815 HydrophobicContact CB-CD1 4.11Å; V1810-I1815 HydrophobicContact CG1-CD1 4.41Å; V1810-I1815 HydrophobicContact CG2-CD1 4.49Å; V1810-I1840 HydrophobicContact CG1-CB 4.46Å; V1810-I1840 HydrophobicContact CG1-CD1 4.42Å; V1810-I1840 HydrophobicContact CG1-CG2 4.14Å; V1810-I1840 HydrophobicContact CG2-CD1 3.7Å; V1810-I1840 HydrophobicContact CG2-CG2 4.3Å; V1810-H1848 HydrophobicContact CG1-CB 3.84Å; V1810-H1848 VanDerWaalsContact CG1-CD2 3.42Å; V1810-H1848 WeakPolarHBondContact CG1-CD2 3.32Å; V1810-H1848 VanDerWaalsContact CG1-CG 3.42Å; V1810-Y1850 HydrophobicContact CG1-CE2 4.1Å; V1810-Y1850 HydrophobicContact CG2-CE2 4.23Å; V1810-I1857 HydrophobicContact CG1-CD1 4.22Å | ||
| 1811 | S | 72 | Confident | 82.2 | Confident | 22.4 Ų | 22.4 | 45.9 Ų | 45.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | trans | -153.6 | -179.2 | -173.9 | 79.3 | 0 | 0 | 0 | 0 | 111.4 | C1776 N1809 H1813 C1842 | C1776-S1811 VanDerWaalsContact CB-O 3.24Å; C1776-S1811 WeakPolarHBondContact CB-O 3.45Å; N1809-S1811 PolarHBondContact OD1-O 3.04Å; S1811-H1813 VanDerWaalsContact C-N 3.29Å; S1811-H1813 PolarHBondContact OG-N 3.08Å; S1811-H1813 VanDerWaalsContact OG-N 3.12Å; S1811-H1813 PolarHBondContact OG-O 3.06Å; S1811-H1813 VanDerWaalsContact OG-O 3.1Å; S1811-C1842 PolarHBondContact OG-SG 2.95Å; S1811-C1842 VanDerWaalsContact OG-SG 3.34Å | ||
| 1812 | S | 74.9 | Confident | 82.6 | Confident | 100.4 Ų | 100.4 | 42.5 Ų | 42.5 | 70% | 0.702 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -87.9 | 4.6 | 171.1 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | C1776 | C1776-S1812 VanDerWaalsContact SG-C 3.53Š|
| 1813 | H | 82.5 | Confident | 82.2 | Confident | 73.6 Ų | 73.6 | 44.3 Ų | 44.3 | 34% | 0.341 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -120.6 | 148.2 | -174.4 | -63.7 | 110 | 0 | 0 | 0 | 111.9 | C1776 S1811 I1815 C1842 D1844 | C1776-H1813 VanDerWaalsContact CB-O 3.3Å; C1776-H1813 WeakPolarHBondContact CB-O 3.31Å; C1776-H1813 PolarHBondContact SG-N 2.96Å; C1776-H1813 PolarHBondContact SG-O 2.99Å; S1811-H1813 VanDerWaalsContact C-N 3.29Å; S1811-H1813 PolarHBondContact OG-N 3.08Å; S1811-H1813 VanDerWaalsContact OG-N 3.12Å; S1811-H1813 PolarHBondContact OG-O 3.06Å; S1811-H1813 VanDerWaalsContact OG-O 3.1Å; H1813-I1815 PolarHBondContact O-N 2.93Å; H1813-C1842 HydrophobicContact CB-CB 4.38Å; H1813-D1844 HydrophobicContact CB-CB 4.3Å; H1813-D1844 IonicContact CE1-OD2 3.38Å; H1813-D1844 PolarHBondContact CE1-OD2 3.32Å; H1813-D1844 IonicContact CG-OD2 2.99Å; H1813-D1844 WeakPolarHBondContact ND1-CB 3.45Å; H1813-D1844 VanDerWaalsContact ND1-CG 3.33Å; H1813-D1844 IonicContact ND1-OD2 2.92Å; H1813-D1844 PolarHBondContact ND1-OD2 3.04Å |
| 1814 | P | 84.7 | Confident | 81.4 | Confident | 34.8 Ų | 34.8 | 40.8 Ų | 40.8 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | trans | -55.3 | 140.3 | -178 | -18.1 | 23.1 | 0 | 0 | 0 | 112.6 | L1774 C1842 W1843 | L1774-P1814 HydrophobicContact CD2-CB 3.75Å; L1774-P1814 HydrophobicContact CD2-CG 4.43Å; P1814-C1842 WeakPolarHBondContact O-CA 3.27Å; P1814-W1843 HydrophobicContact CB-CB 4.39Å; P1814-W1843 HydrophobicContact CG-CB 3.81Å; P1814-W1843 HydrophobicContact CG-CE3 4.4Å; P1814-W1843 PolarHBondContact O-N 2.99Å | ||
| 1815 | I | 87.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.5 | 173.8 | -60.4 | 155.5 | 0 | 0 | 0 | 108.1 | T1758 T1759 D1773 M1777 V1778 V1810 H1813 I1818 I1840 | T1758-I1815 WeakPolarHBondContact CB-O 3.2Å; T1758-I1815 PolarHBondContact OG1-O 3Å; T1759-I1815 HydrophobicContact CG2-CG2 4.08Å; D1773-I1815 PolarHBondContact O-N 2.84Å; D1773-I1815 VanDerWaalsContact O-N 3.17Å; M1777-I1815 WeakPolarHBondContact O-CD1 3.41Å; V1778-I1815 HydrophobicContact CB-CD1 4.43Å; V1778-I1815 HydrophobicContact CG2-CD1 3.44Å; V1778-I1815 VanDerWaalsContact CG2-CD1 3.44Å; V1778-I1815 HydrophobicContact CG2-CG1 4.32Å; V1778-I1815 HydrophobicContact CG2-CG2 4.48Å; V1810-I1815 HydrophobicContact CB-CD1 4.11Å; V1810-I1815 HydrophobicContact CG1-CD1 4.41Å; V1810-I1815 HydrophobicContact CG2-CD1 4.49Å; H1813-I1815 PolarHBondContact O-N 2.93Å; I1815-I1818 HydrophobicContact CG2-CD1 4.01Å; I1815-I1818 HydrophobicContact CG2-CG1 3.81Å; I1815-I1840 HydrophobicContact CD1-CG2 3.81Å; I1815-I1840 HydrophobicContact CG1-CG2 4.2Å; I1815-I1840 HydrophobicContact CG2-CG2 3.87Å |
| 1816 | V | 86.2 | Confident | 78.7 | Confident | 1.2 Ų | 1.2 | 47.7 Ų | 47.7 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -41.1 | -172.9 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | T1759 G1841 W1843 L1867 C1868 P1925 N1926 K1930 | T1759-V1816 WeakPolarHBondContact CB-O 3.19Å; V1816-G1841 PolarHBondContact N-O 3Å; V1816-W1843 HydrophobicContact CG2-CB 3.77Å; V1816-W1843 HydrophobicContact CG2-CE3 4.07Å; V1816-L1867 HydrophobicContact CB-CD2 4.49Å; V1816-L1867 WeakPolarHBondContact CG1-O 3.26Å; V1816-L1867 WeakPolarHBondContact CG2-O 3.36Å; V1816-C1868 VanDerWaalsContact CG1-C 3.49Å; V1816-C1868 WeakPolarHBondContact CG1-O 3.24Å; V1816-P1925 HydrophobicContact CB-CB 4.38Å; V1816-P1925 HydrophobicContact CB-CG 4.43Å; V1816-P1925 HydrophobicContact CG1-CB 3.79Å; V1816-P1925 HydrophobicContact CG1-CG 4.21Å; V1816-P1925 HydrophobicContact CG2-CB 3.96Å; V1816-P1925 HydrophobicContact CG2-CG 3.95Å; V1816-N1926 VanDerWaalsContact CG1-OD1 3.23Å; V1816-N1926 WeakPolarHBondContact CG1-OD1 3.32Å; V1816-N1926 PolarHBondContact O-ND2 2.84Å; V1816-N1926 VanDerWaalsContact O-ND2 3.17Å; V1816-N1926 PolarHBondContact O-OD1 2.87Å; V1816-K1930 PolarHBondContact O-NZ 2.98Å |
| 1817 | S | 87.5 | Confident | 76.9 | Confident | 6.4 Ų | 6.4 | 49 Ų | 49 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.9 | -177.5 | -161.6 | 0 | 0 | 0 | 0 | 110.7 | G1841 L1870 | S1817-G1841 PolarHBondContact N-O 3Å; S1817-G1841 PolarHBondContact O-N 3.09Å; S1817-L1870 VanDerWaalsContact CB-N 3.3Å; S1817-L1870 VanDerWaalsContact O-CD2 3.23Å; S1817-L1870 WeakPolarHBondContact O-CD2 3.17Å; S1817-L1870 PolarHBondContact OG-N 3.12Å; S1817-L1870 PolarHBondContact OG-O 3.14Å |
| 1818 | I | 90.4 | Very high | 75 | Confident | 7.6 Ų | 7.6 | 51.3 Ų | 51.3 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.4 | 176.8 | -64.9 | 172.2 | 0 | 0 | 0 | 107.8 | T1759 A1761 A1770 V1778 I1815 L1838 A1839 I1840 | T1759-I1818 HydrophobicContact CG2-CB 4.01Å; T1759-I1818 HydrophobicContact CG2-CD1 3.76Å; T1759-I1818 HydrophobicContact CG2-CG1 3.59Å; T1759-I1818 PolarHBondContact OG1-N 2.89Å; A1761-I1818 HydrophobicContact CB-CB 4.47Å; A1761-I1818 HydrophobicContact CB-CG2 4.11Å; A1770-I1818 HydrophobicContact CB-CG2 3.99Å; V1778-I1818 HydrophobicContact CB-CD1 4.43Å; V1778-I1818 HydrophobicContact CG1-CD1 3.98Å; V1778-I1818 HydrophobicContact CG2-CD1 3.68Å; V1778-I1818 HydrophobicContact CG2-CG1 4.47Å; I1815-I1818 HydrophobicContact CG2-CD1 4.01Å; I1815-I1818 HydrophobicContact CG2-CG1 3.81Å; I1818-L1838 HydrophobicContact CG2-CD1 3.28Å; I1818-L1838 HydrophobicContact CG2-CD2 4.18Å; I1818-L1838 HydrophobicContact CG2-CG 4.26Å; I1818-A1839 CarbonylContact C-O 3.43Å; I1818-A1839 WeakPolarHBondContact CA-O 3.26Å; I1818-I1840 HydrophobicContact CG1-CG1 4.35Å; I1818-I1840 HydrophobicContact CG1-CG2 4.32Å |
| 1819 | A | 89.2 | Confident | 73.1 | Confident | 11.8 Ų | 11.8 | 60.3 Ų | 60.3 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1838 A1839 L1870 Y1872 | A1819-L1838 WeakPolarHBondContact O-CD1 3.4Å; A1819-A1839 PolarHBondContact N-O 2.91Å; A1819-A1839 PolarHBondContact O-N 3.1Å; A1819-L1870 HydrophobicContact CB-CD1 3.62Å; A1819-L1870 HydrophobicContact CB-CD2 3.81Å; A1819-Y1872 HydrophobicContact CB-CD2 3.77Å; A1819-Y1872 HydrophobicContact CB-CE2 4.42Å |
| 1820 | F | 87.8 | Confident | 71.2 | Confident | 12.6 Ų | 12.6 | 62.5 Ų | 62.5 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.8 | 171.7 | -71.4 | -71.6 | 0 | 0 | 0 | 111 | A1761 W1762 H1763 A1770 L1780 L1822 L1838 L1852 Y1872 | A1761-F1820 HydrophobicContact CB-CD2 3.75Å; A1761-F1820 HydrophobicContact CB-CE2 3.85Å; A1761-F1820 WeakPolarHBondContact O-CE2 3.39Å; W1762-F1820 VanDerWaalsContact C-CD2 3.44Å; W1762-F1820 WeakPolarHBondContact O-CD2 3.32Å; H1763-F1820 HydrophobicContact CB-CD1 4.15Å; H1763-F1820 HydrophobicContact CB-CD2 3.82Å; H1763-F1820 HydrophobicContact CB-CE1 4.17Å; H1763-F1820 HydrophobicContact CB-CE2 3.83Å; H1763-F1820 HydrophobicContact CB-CG 3.97Å; H1763-F1820 HydrophobicContact CB-CZ 4.01Å; H1763-F1820 AromaticContact CD2-CD1 3.84Å; H1763-F1820 AromaticContact CD2-CG 3.96Å; A1770-F1820 HydrophobicContact CB-CE1 4.33Å; A1770-F1820 HydrophobicContact CB-CE2 3.86Å; A1770-F1820 HydrophobicContact CB-CZ 3.59Å; A1770-F1820 VanDerWaalsContact CB-CZ 3.43Å; L1780-F1820 HydrophobicContact CD2-CZ 4.41Å; F1820-L1822 HydrophobicContact CB-CD2 4.34Å; F1820-L1822 PolarHBondContact O-N 3.13Å; F1820-L1838 HydrophobicContact CD1-CB 4.23Å; F1820-L1838 HydrophobicContact CD1-CD1 3.63Å; F1820-L1838 VanDerWaalsContact CD1-CD1 3.47Å; F1820-L1838 HydrophobicContact CD1-CG 4.33Å; F1820-L1838 HydrophobicContact CD2-CD1 4.23Å; F1820-L1838 HydrophobicContact CE1-CB 4.24Å; F1820-L1838 HydrophobicContact CE1-CD1 3.55Å; F1820-L1838 VanDerWaalsContact CE1-CD1 3.42Å; F1820-L1838 HydrophobicContact CE1-CD2 4.22Å; F1820-L1838 HydrophobicContact CE1-CG 4.26Å; F1820-L1838 HydrophobicContact CE2-CD1 4.24Å; F1820-L1838 HydrophobicContact CG-CD1 4.16Å; F1820-L1838 HydrophobicContact CZ-CD1 4.03Å; F1820-L1838 HydrophobicContact CZ-CD2 4.37Å; F1820-L1852 HydrophobicContact CD1-CD1 3.73Å; F1820-L1852 HydrophobicContact CD1-CD2 4.42Å; F1820-L1852 HydrophobicContact CD1-CG 4.48Å; F1820-L1852 HydrophobicContact CE1-CD1 3.71Å; F1820-L1852 HydrophobicContact CE1-CD2 3.84Å; F1820-L1852 HydrophobicContact CE1-CG 4.3Å; F1820-Y1872 WeakPolarHBondContact O-CD2 3.42Å |
| 1821 | R | 83.1 | Confident | 69.6 | Low | 23.8 Ų | 23.8 | 69.6 Ų | 69.6 | 9% | 0.09 | 37% | 0.369 | C | S | . | . | trans | -80.3 | 107 | 166.7 | -167.7 | -179.7 | 175.1 | 166.2 | -5.7 | 108.5 | D1837 Y1872 G1876 G1877 D1894 D1895 | R1821-D1837 HydrophobicContact CB-CB 4.24Å; R1821-D1837 WeakPolarHBondContact CB-O 3.39Å; R1821-D1837 PolarHBondContact N-O 3.07Å; R1821-Y1872 HydrophobicContact CB-CD1 4.44Å; R1821-Y1872 HydrophobicContact CB-CD2 4.26Å; R1821-Y1872 HydrophobicContact CB-CE1 4.29Å; R1821-Y1872 HydrophobicContact CB-CE2 3.98Å; R1821-Y1872 HydrophobicContact CB-CG 4.46Å; R1821-Y1872 HydrophobicContact CG-CD1 4.34Å; R1821-Y1872 HydrophobicContact CG-CE1 4.25Å; R1821-G1876 PolarHBondContact NE-O 3.09Å; R1821-G1877 PolarHBondContact NE-O 3.07Å; R1821-G1877 VanDerWaalsContact NE-O 3.16Å; R1821-D1894 WeakPolarHBondContact CD-OD2 3.41Å; R1821-D1894 IonicContact CZ-OD2 3.3Å; R1821-D1894 IonicContact NE-OD2 3.14Å; R1821-D1894 IonicContact NH1-OD2 3.17Å; R1821-D1894 PolarHBondContact NH1-OD2 3Å; R1821-D1895 IonicContact CZ-OD1 3.01Å; R1821-D1895 VanDerWaalsContact CZ-OD1 3.27Å; R1821-D1895 IonicContact NH1-OD1 3.6Å; R1821-D1895 PolarHBondContact NH1-OD1 3.25Å; R1821-D1895 VanDerWaalsContact NH1-OD1 3.11Å; R1821-D1895 IonicContact NH2-OD1 3.12Å; R1821-D1895 PolarHBondContact NH2-OD1 3.17Å; R1821-D1895 IonicContact NH2-OD2 3.36Å; R1821-D1895 PolarHBondContact NH2-OD2 3.49Å | ||
| 1822 | L | 74.5 | Confident | 68.3 | Low | 55.8 Ų | 55.8 | 75.6 Ų | 75.6 | 29% | 0.292 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 142 | -179.7 | -62.8 | 172.6 | 0 | 0 | 0 | 110.8 | P1764 F1820 G1876 | P1764-L1822 HydrophobicContact CG-CD2 4.12Å; F1820-L1822 HydrophobicContact CB-CD2 4.34Å; F1820-L1822 PolarHBondContact O-N 3.13Å; L1822-G1876 CarbonylContact O-C 3.51Å; L1822-G1876 VanDerWaalsContact O-CA 3.22Å; L1822-G1876 WeakPolarHBondContact O-CA 3.35Å |
| 1823 | P | 64.7 | Low | 67.1 | Low | 42.4 Ų | 42.4 | 77.2 Ų | 77.2 | 28% | 0.275 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 146.8 | 177 | 25.5 | -32.6 | 0 | 0 | 0 | 112 | V1825 I1834 | P1823-V1825 PolarHBondContact O-N 3.15Å; P1823-I1834 HydrophobicContact CB-CD1 3.98Å; P1823-I1834 HydrophobicContact CB-CG2 3.85Å; P1823-I1834 HydrophobicContact CG-CG2 4.05Å |
| 1824 | S | 60.7 | Low | 65.6 | Low | 41 Ų | 41 | 77 Ų | 77 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 131.2 | 177.2 | 110.3 | 0 | 0 | 0 | 0 | 111.1 | L1826 N1827 | S1824-L1826 PolarHBondContact O-N 3.29Å; S1824-L1826 VanDerWaalsContact O-N 3.1Å; S1824-L1826 PolarHBondContact OG-N 3.45Å; S1824-N1827 PolarHBondContact O-N 2.88Å |
| 1825 | V | 57.2 | Low | 64.5 | Low | 112.6 Ų | 112.6 | 80.6 Ų | 80.6 | 68% | 0.682 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20 | 178 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | F1693 P1823 | F1693-V1825 HydrophobicContact CE1-CG2 4.1Å; F1693-V1825 HydrophobicContact CZ-CG2 4.46Å; P1823-V1825 PolarHBondContact O-N 3.15Å |
| 1826 | L | 50.6 | Low | 63.8 | Low | 154.4 Ų | 154.4 | 80.8 Ų | 80.8 | 81% | 0.808 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -23.1 | -172.3 | -96.6 | 105.4 | 0 | 0 | 0 | 114.7 | S1824 N1828 | S1824-L1826 PolarHBondContact O-N 3.29Å; S1824-L1826 VanDerWaalsContact O-N 3.1Å; S1824-L1826 PolarHBondContact OG-N 3.45Å; L1826-N1828 VanDerWaalsContact C-N 3.33Å; L1826-N1828 PolarHBondContact O-N 3.08Å; L1826-N1828 VanDerWaalsContact O-N 3.1Å |
| 1827 | N | 46.9 | Very low | 63.7 | Low | 123.6 Ų | 123.6 | 81.1 Ų | 81.1 | 66% | 0.661 | 42% | 0.416 | S | S | * | . | trans | -93.9 | 71.3 | -172.8 | -80.1 | -4.6 | 0 | 0 | 0 | 112.5 | S1824 K1829 Q1830 | S1824-N1827 PolarHBondContact O-N 2.88Å; N1827-K1829 VanDerWaalsContact C-N 3.28Å; N1827-K1829 PolarHBondContact O-N 3.11Å; N1827-K1829 VanDerWaalsContact O-N 3.15Å; N1827-Q1830 PolarHBondContact O-N 2.83Å | ||
| 1828 | N | 46 | Very low | 63.7 | Low | 109.2 Ų | 109.2 | 80.8 Ų | 80.8 | 58% | 0.584 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 7.6 | 179.5 | -87.8 | -15.3 | 0 | 0 | 0 | 115.5 | K1696 L1826 | K1696-N1828 PolarHBondContact NZ-ND2 3.1Å; K1696-N1828 VanDerWaalsContact NZ-ND2 3.15Å; K1696-N1828 PolarHBondContact NZ-OD1 2.97Å; L1826-N1828 VanDerWaalsContact C-N 3.33Å; L1826-N1828 PolarHBondContact O-N 3.08Å; L1826-N1828 VanDerWaalsContact O-N 3.1Å |
| 1829 | K | 47.1 | Very low | 63.6 | Low | 203.4 Ų | 203.4 | 80.4 Ų | 80.4 | 88% | 0.884 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 1.4 | -170.1 | -71.5 | -169 | 177.1 | -178.1 | 0 | 117.1 | N1827 | N1827-K1829 VanDerWaalsContact C-N 3.28Å; N1827-K1829 PolarHBondContact O-N 3.11Å; N1827-K1829 VanDerWaalsContact O-N 3.15Å |
| 1830 | Q | 43.4 | Very low | 63.7 | Low | 159.2 Ų | 159.2 | 79.8 Ų | 79.8 | 74% | 0.744 | 41% | 0.407 | S | S | * | . | trans | -136.4 | 89.3 | 172.9 | -82.7 | 177.1 | -19.1 | 0 | 0 | 109.4 | N1827 D1832 | N1827-Q1830 PolarHBondContact O-N 2.83Å; Q1830-D1832 VanDerWaalsContact C-N 3.27Å; Q1830-D1832 HydrophobicContact CB-CB 4.32Å; Q1830-D1832 WeakPolarHBondContact CB-OD2 3.4Å; Q1830-D1832 WeakPolarHBondContact CG-OD2 3.12Å; Q1830-D1832 PolarHBondContact O-N 3.15Å; Q1830-D1832 VanDerWaalsContact O-N 3.12Å | ||
| 1831 | E | 45.3 | Very low | 63.7 | Low | 165.8 Ų | 165.8 | 79.2 Ų | 79.2 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -1.6 | 178.5 | -71.9 | -175.9 | 149.6 | 0 | 0 | 113.1 | K1696 L1833 | K1696-E1831 IonicContact NZ-OE1 3.59Å; K1696-E1831 PolarHBondContact NZ-OE1 3.21Å; E1831-L1833 PolarHBondContact O-N 3.4Å |
| 1832 | D | 43.8 | Very low | 63.9 | Low | 147.8 Ų | 147.8 | 78.1 Ų | 78.1 | 79% | 0.79 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 9.9 | -167.4 | -71.2 | -25.7 | 0 | 0 | 0 | 115.2 | Q1830 I1834 | Q1830-D1832 VanDerWaalsContact C-N 3.27Å; Q1830-D1832 HydrophobicContact CB-CB 4.32Å; Q1830-D1832 WeakPolarHBondContact CB-OD2 3.4Å; Q1830-D1832 WeakPolarHBondContact CG-OD2 3.12Å; Q1830-D1832 PolarHBondContact O-N 3.15Å; Q1830-D1832 VanDerWaalsContact O-N 3.12Å; D1832-I1834 PolarHBondContact O-N 2.9Å |
| 1833 | L | 49.3 | Very low | 64.4 | Low | 134.2 Ų | 134.2 | 78.6 Ų | 78.6 | 70% | 0.703 | 40% | 0.398 | S | S | * | . | trans | -123.5 | 52.4 | 175.4 | -75.4 | 153 | 0 | 0 | 0 | 113 | E1831 H1835 | E1831-L1833 PolarHBondContact O-N 3.4Å; L1833-H1835 PolarHBondContact O-CD2 3.28Å; L1833-H1835 PolarHBondContact O-N 3.1Å; L1833-H1835 VanDerWaalsContact O-N 3.08Å | ||
| 1834 | I | 52.4 | Low | 65.2 | Low | 70.4 Ų | 70.4 | 78.7 Ų | 78.7 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | trans | -72.6 | 103.1 | 173.7 | -54.4 | 173.5 | 0 | 0 | 0 | 108.2 | R1765 P1823 D1832 D1836 | R1765-I1834 VanDerWaalsContact CZ-CD1 3.49Å; R1765-I1834 VanDerWaalsContact NH1-CD1 3.31Å; P1823-I1834 HydrophobicContact CB-CD1 3.98Å; P1823-I1834 HydrophobicContact CB-CG2 3.85Å; P1823-I1834 HydrophobicContact CG-CG2 4.05Å; D1832-I1834 PolarHBondContact O-N 2.9Å; I1834-D1836 HydrophobicContact CG2-CB 4.42Å; I1834-D1836 VanDerWaalsContact CG2-CG 3.45Å; I1834-D1836 WeakPolarHBondContact CG2-OD1 3.3Å; I1834-D1836 PolarHBondContact O-N 3.26Å | ||
| 1835 | H | 60.8 | Low | 66.2 | Low | 110.4 Ų | 110.4 | 76.7 Ų | 76.7 | 51% | 0.511 | 38% | 0.383 | S | S | . | . | trans | -72 | 86.3 | 170.5 | -66.7 | -68 | 0 | 0 | 0 | 109.7 | L1833 D1837 | L1833-H1835 PolarHBondContact O-CD2 3.28Å; L1833-H1835 PolarHBondContact O-N 3.1Å; L1833-H1835 VanDerWaalsContact O-N 3.08Å; H1835-D1837 VanDerWaalsContact C-N 3.27Å; H1835-D1837 PolarHBondContact O-N 3.1Å | ||
| 1836 | D | 73.4 | Confident | 67.5 | Low | 3.8 Ų | 3.8 | 72.7 Ų | 72.7 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | trans | -75.2 | 84.8 | 170.6 | -74.9 | -23.1 | 0 | 0 | 0 | 108.4 | H1763 R1765 R1766 I1834 L1852 | H1763-D1836 IonicContact CE1-OD1 3.66Å; H1763-D1836 IonicContact NE2-OD1 3.53Å; H1763-D1836 PolarHBondContact NE2-OD1 2.98Å; R1765-D1836 IonicContact CZ-OD1 3.92Å; R1765-D1836 IonicContact CZ-OD2 2.77Å; R1765-D1836 IonicContact NE-OD1 3.13Å; R1765-D1836 VanDerWaalsContact NH2-CG 3.27Å; R1765-D1836 IonicContact NH2-OD1 3.36Å; R1765-D1836 PolarHBondContact NH2-OD1 3.02Å; R1765-D1836 IonicContact NH2-OD2 3.43Å; R1765-D1836 PolarHBondContact NH2-OD2 3.17Å; R1766-D1836 IonicContact CZ-OD2 3.48Å; R1766-D1836 IonicContact NE-OD2 3.62Å; R1766-D1836 PolarHBondContact NE-OD2 3.05Å; R1766-D1836 IonicContact NH2-OD2 3.43Å; R1766-D1836 PolarHBondContact NH2-OD2 3.09Å; I1834-D1836 HydrophobicContact CG2-CB 4.42Å; I1834-D1836 VanDerWaalsContact CG2-CG 3.45Å; I1834-D1836 WeakPolarHBondContact CG2-OD1 3.3Å; I1834-D1836 PolarHBondContact O-N 3.26Å; D1836-L1852 HydrophobicContact CB-CB 4.07Å; D1836-L1852 HydrophobicContact CB-CD1 3.82Å; D1836-L1852 HydrophobicContact CB-CG 4.45Å; D1836-L1852 VanDerWaalsContact O-CB 3.3Å; D1836-L1852 WeakPolarHBondContact O-CB 3.33Å; D1836-L1852 WeakPolarHBondContact O-CD1 3.49Å; D1836-L1852 WeakPolarHBondContact O-CG 3.4Å; D1836-L1852 PolarHBondContact O-N 3.19Å | ||
| 1837 | D | 83.1 | Confident | 69.3 | Low | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 146.1 | -179.4 | -74.4 | -9.5 | 0 | 0 | 0 | 111.6 | R1821 H1835 Y1850 N1851 R1859 | R1821-D1837 HydrophobicContact CB-CB 4.24Å; R1821-D1837 WeakPolarHBondContact CB-O 3.39Å; R1821-D1837 PolarHBondContact N-O 3.07Å; H1835-D1837 VanDerWaalsContact C-N 3.27Å; H1835-D1837 PolarHBondContact O-N 3.1Å; D1837-Y1850 CarbonylContact C-O 3.55Å; D1837-Y1850 WeakPolarHBondContact CA-O 3.27Å; D1837-N1851 WeakPolarHBondContact OD1-CA 3.44Å; D1837-N1851 WeakPolarHBondContact OD1-CB 3.44Å; D1837-R1859 IonicContact OD2-NH2 3.5Å; D1837-R1859 PolarHBondContact OD2-NH2 3.3Å |
| 1838 | L | 88.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.4 | 176.9 | 174.3 | 63.4 | 0 | 0 | 0 | 109 | A1770 V1778 L1780 I1818 A1819 F1820 I1840 F1849 Y1850 L1852 | A1770-L1838 HydrophobicContact CB-CD1 4.39Å; A1770-L1838 HydrophobicContact CB-CD2 4.22Å; V1778-L1838 HydrophobicContact CG1-CD2 4.42Å; L1780-L1838 HydrophobicContact CD2-CD2 4.26Å; I1818-L1838 HydrophobicContact CG2-CD1 3.28Å; I1818-L1838 HydrophobicContact CG2-CD2 4.18Å; I1818-L1838 HydrophobicContact CG2-CG 4.26Å; A1819-L1838 WeakPolarHBondContact O-CD1 3.4Å; F1820-L1838 HydrophobicContact CD1-CB 4.23Å; F1820-L1838 HydrophobicContact CD1-CD1 3.63Å; F1820-L1838 VanDerWaalsContact CD1-CD1 3.47Å; F1820-L1838 HydrophobicContact CD1-CG 4.33Å; F1820-L1838 HydrophobicContact CD2-CD1 4.23Å; F1820-L1838 HydrophobicContact CE1-CB 4.24Å; F1820-L1838 HydrophobicContact CE1-CD1 3.55Å; F1820-L1838 VanDerWaalsContact CE1-CD1 3.42Å; F1820-L1838 HydrophobicContact CE1-CD2 4.22Å; F1820-L1838 HydrophobicContact CE1-CG 4.26Å; F1820-L1838 HydrophobicContact CE2-CD1 4.24Å; F1820-L1838 HydrophobicContact CG-CD1 4.16Å; F1820-L1838 HydrophobicContact CZ-CD1 4.03Å; F1820-L1838 HydrophobicContact CZ-CD2 4.37Å; L1838-I1840 HydrophobicContact CD2-CD1 4.11Å; L1838-I1840 HydrophobicContact CD2-CG1 4.25Å; L1838-I1840 HydrophobicContact CG-CD1 4.35Å; L1838-I1840 HydrophobicContact CG-CG1 4.01Å; L1838-F1849 CarbonylContact O-C 3.51Å; L1838-F1849 VanDerWaalsContact O-CA 3.29Å; L1838-F1849 WeakPolarHBondContact O-CA 3.39Å; L1838-Y1850 WeakPolarHBondContact CB-O 3.36Å; L1838-Y1850 PolarHBondContact N-O 3.16Å; L1838-Y1850 PolarHBondContact O-N 3.04Å; L1838-L1852 HydrophobicContact CB-CD2 4.22Å; L1838-L1852 HydrophobicContact CB-CG 4.4Å; L1838-L1852 HydrophobicContact CD2-CD2 4.43Å |
| 1839 | A | 89.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1818 A1819 I1847 H1848 F1849 L1870 Y1872 L1880 | I1818-A1839 CarbonylContact C-O 3.43Å; I1818-A1839 WeakPolarHBondContact CA-O 3.26Å; A1819-A1839 PolarHBondContact N-O 2.91Å; A1819-A1839 PolarHBondContact O-N 3.1Å; A1839-I1847 HydrophobicContact CB-CG2 4.32Å; A1839-H1848 CarbonylContact C-O 3.53Å; A1839-H1848 WeakPolarHBondContact CA-O 3.42Å; A1839-F1849 HydrophobicContact CB-CD1 4Å; A1839-F1849 HydrophobicContact CB-CE1 3.96Å; A1839-L1870 HydrophobicContact CB-CD1 3.87Å; A1839-L1870 HydrophobicContact CB-CD2 4.01Å; A1839-Y1872 HydrophobicContact CB-CD2 4.42Å; A1839-Y1872 HydrophobicContact CB-CE2 3.46Å; A1839-Y1872 VanDerWaalsContact CB-CE2 3.45Å; A1839-L1880 HydrophobicContact CB-CD1 4.33Å |
| 1840 | I | 90.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 116.1 | -177.8 | -54.7 | 170.3 | 0 | 0 | 0 | 107.8 | V1778 V1810 I1815 I1818 L1838 I1847 H1848 Y1850 | V1778-I1840 HydrophobicContact CB-CD1 4.39Å; V1778-I1840 HydrophobicContact CG2-CD1 3.96Å; V1778-I1840 HydrophobicContact CG2-CG1 4.34Å; V1778-I1840 HydrophobicContact CG2-CG2 4.09Å; V1810-I1840 HydrophobicContact CG1-CB 4.46Å; V1810-I1840 HydrophobicContact CG1-CD1 4.42Å; V1810-I1840 HydrophobicContact CG1-CG2 4.14Å; V1810-I1840 HydrophobicContact CG2-CD1 3.7Å; V1810-I1840 HydrophobicContact CG2-CG2 4.3Å; I1815-I1840 HydrophobicContact CD1-CG2 3.81Å; I1815-I1840 HydrophobicContact CG1-CG2 4.2Å; I1815-I1840 HydrophobicContact CG2-CG2 3.87Å; I1818-I1840 HydrophobicContact CG1-CG1 4.35Å; I1818-I1840 HydrophobicContact CG1-CG2 4.32Å; L1838-I1840 HydrophobicContact CD2-CD1 4.11Å; L1838-I1840 HydrophobicContact CD2-CG1 4.25Å; L1838-I1840 HydrophobicContact CG-CD1 4.35Å; L1838-I1840 HydrophobicContact CG-CG1 4.01Å; I1840-I1847 CarbonylContact O-C 3.55Å; I1840-I1847 VanDerWaalsContact O-CA 3.29Å; I1840-I1847 WeakPolarHBondContact O-CA 3.31Å; I1840-H1848 HydrophobicContact CB-CB 4.43Å; I1840-H1848 PolarHBondContact N-O 3.06Å; I1840-H1848 PolarHBondContact O-N 3.16Å; I1840-Y1850 HydrophobicContact CD1-CD2 3.5Å; I1840-Y1850 VanDerWaalsContact CD1-CD2 3.44Å; I1840-Y1850 HydrophobicContact CD1-CE2 3.65Å; I1840-Y1850 HydrophobicContact CD1-CG 4.39Å; I1840-Y1850 HydrophobicContact CG1-CD2 4.35Å |
| 1841 | G | 88.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1816 S1817 L1867 | V1816-G1841 PolarHBondContact N-O 3Å; S1817-G1841 PolarHBondContact N-O 3Å; S1817-G1841 PolarHBondContact O-N 3.09Å; G1841-L1867 VanDerWaalsContact CA-CD2 3.45Å |
| 1842 | C | 87.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.8 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 111 | S1811 H1813 P1814 D1844 G1845 T1846 H1848 L1867 | S1811-C1842 PolarHBondContact OG-SG 2.95Å; S1811-C1842 VanDerWaalsContact OG-SG 3.34Å; H1813-C1842 HydrophobicContact CB-CB 4.38Å; P1814-C1842 WeakPolarHBondContact O-CA 3.27Å; C1842-D1844 VanDerWaalsContact CB-OD1 3.24Å; C1842-D1844 WeakPolarHBondContact CB-OD1 3.28Å; C1842-D1844 PolarHBondContact O-N 3.1Å; C1842-D1844 VanDerWaalsContact O-N 3.16Å; C1842-G1845 PolarHBondContact O-N 3.19Å; C1842-G1845 VanDerWaalsContact O-N 3.11Å; C1842-T1846 WeakPolarHBondContact CB-OG1 3.46Å; C1842-T1846 PolarHBondContact N-O 3.02Å; C1842-H1848 VanDerWaalsContact SG-CD2 3.57Å; C1842-L1867 WeakPolarHBondContact O-CB 3.33Å |
| 1843 | W | 83 | Confident | 80.5 | Confident | 66 Ų | 66 | 30 Ų | 30 | 25% | 0.25 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.3 | -178.8 | 179.5 | -98.5 | 0 | 0 | 0 | 113.8 | P1814 V1816 G1845 S1866 L1867 K1885 P1925 Y1928 | P1814-W1843 HydrophobicContact CB-CB 4.39Å; P1814-W1843 HydrophobicContact CG-CB 3.81Å; P1814-W1843 HydrophobicContact CG-CE3 4.4Å; P1814-W1843 PolarHBondContact O-N 2.99Å; V1816-W1843 HydrophobicContact CG2-CB 3.77Å; V1816-W1843 HydrophobicContact CG2-CE3 4.07Å; W1843-G1845 PolarHBondContact O-N 3.14Å; W1843-G1845 VanDerWaalsContact O-N 3.11Å; W1843-S1866 VanDerWaalsContact CE2-OG 3.26Å; W1843-S1866 WeakPolarHBondContact CZ2-OG 3.09Å; W1843-S1866 PolarHBondContact NE1-OG 3.26Å; W1843-S1866 VanDerWaalsContact O-CA 3.24Å; W1843-S1866 WeakPolarHBondContact O-CA 3.28Å; W1843-S1866 PolarHBondContact O-OG 2.97Å; W1843-S1866 VanDerWaalsContact O-OG 3.14Å; W1843-L1867 PolarHBondContact O-N 3.11Å; W1843-K1885 HydrophobicContact CH2-CB 4.18Å; W1843-K1885 HydrophobicContact CH2-CD 4.16Å; W1843-K1885 HydrophobicContact CH2-CG 4.37Å; W1843-K1885 HydrophobicContact CZ2-CD 4.23Å; W1843-P1925 HydrophobicContact CB-CG 4.44Å; W1843-P1925 HydrophobicContact CD2-CB 4.16Å; W1843-P1925 HydrophobicContact CD2-CG 4.03Å; W1843-P1925 HydrophobicContact CE3-CB 3.49Å; W1843-P1925 VanDerWaalsContact CE3-CB 3.44Å; W1843-P1925 HydrophobicContact CE3-CG 3.41Å; W1843-P1925 HydrophobicContact CG-CG 4.21Å; W1843-P1925 HydrophobicContact CH2-CB 4.06Å; W1843-P1925 HydrophobicContact CH2-CG 4.21Å; W1843-P1925 HydrophobicContact CZ2-CB 4.13Å; W1843-P1925 VanDerWaalsContact CZ3-CA 3.49Å; W1843-P1925 HydrophobicContact CZ3-CB 3.45Å; W1843-P1925 VanDerWaalsContact CZ3-CB 3.41Å; W1843-P1925 HydrophobicContact CZ3-CG 3.67Å; W1843-Y1928 AromaticContact CH2-CD2 3.67Å; W1843-Y1928 HydrophobicContact CH2-CD2 3.78Å; W1843-Y1928 AromaticContact CH2-CE2 3.69Å; W1843-Y1928 HydrophobicContact CH2-CE2 3.69Å; W1843-Y1928 HydrophobicContact CH2-CG 4.32Å; W1843-Y1928 HydrophobicContact CZ2-CE2 4.34Å; W1843-Y1928 HydrophobicContact CZ3-CD2 4.21Å; W1843-Y1928 HydrophobicContact CZ3-CE2 4.33Å |
| 1844 | D | 82 | Confident | 81.9 | Confident | 44.8 Ų | 44.8 | 26.6 Ų | 26.6 | 24% | 0.24 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2.3 | 176.1 | 63.4 | -1.5 | 0 | 0 | 0 | 113.9 | H1813 C1842 T1846 T1865 | H1813-D1844 HydrophobicContact CB-CB 4.3Å; H1813-D1844 IonicContact CE1-OD2 3.38Å; H1813-D1844 PolarHBondContact CE1-OD2 3.32Å; H1813-D1844 IonicContact CG-OD2 2.99Å; H1813-D1844 WeakPolarHBondContact ND1-CB 3.45Å; H1813-D1844 VanDerWaalsContact ND1-CG 3.33Å; H1813-D1844 IonicContact ND1-OD2 2.92Å; H1813-D1844 PolarHBondContact ND1-OD2 3.04Å; C1842-D1844 VanDerWaalsContact CB-OD1 3.24Å; C1842-D1844 WeakPolarHBondContact CB-OD1 3.28Å; C1842-D1844 PolarHBondContact O-N 3.1Å; C1842-D1844 VanDerWaalsContact O-N 3.16Å; D1844-T1846 VanDerWaalsContact C-N 3.35Å; D1844-T1846 VanDerWaalsContact CG-OG1 3.31Å; D1844-T1846 VanDerWaalsContact OD1-CB 3.32Å; D1844-T1846 WeakPolarHBondContact OD1-CB 3.36Å; D1844-T1846 WeakPolarHBondContact OD1-CG2 3.32Å; D1844-T1846 PolarHBondContact OD1-N 3.25Å; D1844-T1846 PolarHBondContact OD1-OG1 3.04Å; D1844-T1846 PolarHBondContact OD2-OG1 2.92Å; D1844-T1865 CarbonylContact C-O 3.55Å; D1844-T1865 VanDerWaalsContact C-O 3.31Å; D1844-T1865 CarbonylContact O-C 3.56Å; D1844-T1865 VanDerWaalsContact O-O 3.14Å |
| 1845 | G | 81.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 89.1 | 5.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1842 W1843 A1863 S1864 | C1842-G1845 PolarHBondContact O-N 3.19Å; C1842-G1845 VanDerWaalsContact O-N 3.11Å; W1843-G1845 PolarHBondContact O-N 3.14Å; W1843-G1845 VanDerWaalsContact O-N 3.11Å; G1845-A1863 PolarHBondContact O-N 3.23Å; G1845-S1864 CarbonylContact C-O 3.45Å; G1845-S1864 VanDerWaalsContact CA-O 3.29Å; G1845-S1864 WeakPolarHBondContact CA-O 3.32Å; G1845-S1864 PolarHBondContact O-N 3.01Å |
| 1846 | T | 85.6 | Confident | 84.2 | Confident | 28.6 Ų | 28.6 | 23.3 Ų | 23.3 | 18% | 0.175 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 148 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 112 | C1842 D1844 H1848 L1861 | C1842-T1846 WeakPolarHBondContact CB-OG1 3.46Å; C1842-T1846 PolarHBondContact N-O 3.02Å; D1844-T1846 VanDerWaalsContact C-N 3.35Å; D1844-T1846 VanDerWaalsContact CG-OG1 3.31Å; D1844-T1846 VanDerWaalsContact OD1-CB 3.32Å; D1844-T1846 WeakPolarHBondContact OD1-CB 3.36Å; D1844-T1846 WeakPolarHBondContact OD1-CG2 3.32Å; D1844-T1846 PolarHBondContact OD1-N 3.25Å; D1844-T1846 PolarHBondContact OD1-OG1 3.04Å; D1844-T1846 PolarHBondContact OD2-OG1 2.92Å; T1846-H1848 PolarHBondContact OG1-NE2 3.31Å; T1846-L1861 CarbonylContact C-O 3.55Å; T1846-L1861 VanDerWaalsContact CA-O 3.3Å; T1846-L1861 WeakPolarHBondContact CA-O 3.12Å |
| 1847 | I | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.8 | 178.4 | -55.6 | 169.9 | 0 | 0 | 0 | 107.3 | A1839 I1840 F1849 S1860 L1861 A1863 L1867 L1870 L1880 T1882 | A1839-I1847 HydrophobicContact CB-CG2 4.32Å; I1840-I1847 CarbonylContact O-C 3.55Å; I1840-I1847 VanDerWaalsContact O-CA 3.29Å; I1840-I1847 WeakPolarHBondContact O-CA 3.31Å; I1847-F1849 HydrophobicContact CB-CE2 4.17Å; I1847-F1849 HydrophobicContact CB-CZ 4.37Å; I1847-F1849 HydrophobicContact CG2-CD2 4.3Å; I1847-F1849 HydrophobicContact CG2-CE1 4.26Å; I1847-F1849 HydrophobicContact CG2-CE2 3.76Å; I1847-F1849 VanDerWaalsContact CG2-CE2 3.42Å; I1847-F1849 HydrophobicContact CG2-CZ 3.69Å; I1847-F1849 WeakPolarHBondContact O-CE2 3.27Å; I1847-S1860 CarbonylContact O-C 3.53Å; I1847-S1860 VanDerWaalsContact O-CA 3.26Å; I1847-S1860 WeakPolarHBondContact O-CA 3.25Å; I1847-L1861 HydrophobicContact CB-CB 4.46Å; I1847-L1861 HydrophobicContact CD1-CD2 4.44Å; I1847-L1861 PolarHBondContact N-O 3.21Å; I1847-L1861 PolarHBondContact O-N 3.22Å; I1847-A1863 HydrophobicContact CD1-CB 3.64Å; I1847-A1863 HydrophobicContact CG1-CB 4.37Å; I1847-L1867 HydrophobicContact CD1-CD1 4.06Å; I1847-L1867 HydrophobicContact CD1-CD2 4.37Å; I1847-L1867 HydrophobicContact CG1-CD1 4.09Å; I1847-L1867 HydrophobicContact CG1-CD2 4.19Å; I1847-L1870 HydrophobicContact CB-CD1 4.25Å; I1847-L1870 HydrophobicContact CD1-CD1 3.75Å; I1847-L1870 HydrophobicContact CG1-CD1 3.88Å; I1847-L1870 HydrophobicContact CG2-CD1 3.63Å; I1847-L1880 HydrophobicContact CD1-CD2 4.32Å; I1847-L1880 HydrophobicContact CG2-CD2 4.39Å; I1847-T1882 HydrophobicContact CD1-CG2 3.36Å; I1847-T1882 VanDerWaalsContact CD1-CG2 3.45Å |
| 1848 | H | 88.2 | Confident | 84.5 | Confident | 25.6 Ų | 25.6 | 30 Ų | 30 | 12% | 0.119 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.1 | 177.6 | -61.9 | -86 | 0 | 0 | 0 | 110 | V1810 A1839 I1840 C1842 T1846 Y1850 I1857 S1860 | V1810-H1848 HydrophobicContact CG1-CB 3.84Å; V1810-H1848 VanDerWaalsContact CG1-CD2 3.42Å; V1810-H1848 WeakPolarHBondContact CG1-CD2 3.32Å; V1810-H1848 VanDerWaalsContact CG1-CG 3.42Å; A1839-H1848 CarbonylContact C-O 3.53Å; A1839-H1848 WeakPolarHBondContact CA-O 3.42Å; I1840-H1848 HydrophobicContact CB-CB 4.43Å; I1840-H1848 PolarHBondContact N-O 3.06Å; I1840-H1848 PolarHBondContact O-N 3.16Å; C1842-H1848 VanDerWaalsContact SG-CD2 3.57Å; T1846-H1848 PolarHBondContact OG1-NE2 3.31Å; H1848-Y1850 HydrophobicContact CB-CD2 4.3Å; H1848-Y1850 HydrophobicContact CB-CE2 3.77Å; H1848-I1857 HydrophobicContact CB-CD1 4.11Å; H1848-I1857 HydrophobicContact CB-CG2 4.39Å; H1848-I1857 WeakPolarHBondContact ND1-CD1 3.47Å; H1848-S1860 PolarHBondContact ND1-OG 2.87Å |
| 1849 | F | 88.2 | Confident | 84.2 | Confident | 1.2 Ų | 1.2 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.5 | 178.7 | -59.6 | -94.6 | 0 | 0 | 0 | 108.9 | L1838 A1839 I1847 I1857 V1858 R1859 L1861 Y1872 L1880 D1894 L1897 | L1838-F1849 CarbonylContact O-C 3.51Å; L1838-F1849 VanDerWaalsContact O-CA 3.29Å; L1838-F1849 WeakPolarHBondContact O-CA 3.39Å; A1839-F1849 HydrophobicContact CB-CD1 4Å; A1839-F1849 HydrophobicContact CB-CE1 3.96Å; I1847-F1849 HydrophobicContact CB-CE2 4.17Å; I1847-F1849 HydrophobicContact CB-CZ 4.37Å; I1847-F1849 HydrophobicContact CG2-CD2 4.3Å; I1847-F1849 HydrophobicContact CG2-CE1 4.26Å; I1847-F1849 HydrophobicContact CG2-CE2 3.76Å; I1847-F1849 VanDerWaalsContact CG2-CE2 3.42Å; I1847-F1849 HydrophobicContact CG2-CZ 3.69Å; I1847-F1849 WeakPolarHBondContact O-CE2 3.27Å; F1849-I1857 CarbonylContact O-C 3.57Å; F1849-I1857 WeakPolarHBondContact O-CA 3.27Å; F1849-I1857 WeakPolarHBondContact O-CG1 3.18Å; F1849-V1858 HydrophobicContact CB-CB 4.45Å; F1849-V1858 PolarHBondContact O-N 3.11Å; F1849-R1859 HydrophobicContact CB-CB 4.35Å; F1849-R1859 HydrophobicContact CB-CG 3.6Å; F1849-R1859 HydrophobicContact CD2-CB 3.94Å; F1849-R1859 HydrophobicContact CD2-CG 3.75Å; F1849-R1859 HydrophobicContact CG-CB 4.43Å; F1849-R1859 HydrophobicContact CG-CG 3.82Å; F1849-R1859 PolarHBondContact N-O 3.12Å; F1849-R1859 PolarHBondContact O-N 3.1Å; F1849-L1861 HydrophobicContact CE2-CB 4.06Å; F1849-Y1872 VanDerWaalsContact CD1-OH 3.29Å; F1849-Y1872 WeakPolarHBondContact CD1-OH 3.31Å; F1849-Y1872 VanDerWaalsContact CE1-OH 3.23Å; F1849-Y1872 WeakPolarHBondContact CE1-OH 3.35Å; F1849-L1880 HydrophobicContact CE1-CD2 3.95Å; F1849-L1880 HydrophobicContact CZ-CD2 3.76Å; F1849-D1894 VanDerWaalsContact CE1-OD1 3.27Å; F1849-D1894 WeakPolarHBondContact CE1-OD1 3.4Å; F1849-L1897 HydrophobicContact CE1-CD2 4.37Å; F1849-L1897 HydrophobicContact CE2-CD1 4.12Å; F1849-L1897 HydrophobicContact CE2-CD2 4.03Å; F1849-L1897 HydrophobicContact CZ-CD2 3.96Å |
| 1850 | Y | 86.9 | Confident | 84 | Confident | 12.6 Ų | 12.6 | 36.9 Ų | 36.9 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132 | -179.5 | -92.1 | -99 | 0 | 0 | 0 | 110.2 | L1780 I1808 V1810 D1837 L1838 I1840 H1848 L1855 S1856 I1857 | L1780-Y1850 HydrophobicContact CD1-CE1 4.38Å; I1808-Y1850 HydrophobicContact CD1-CD1 4.14Å; I1808-Y1850 HydrophobicContact CD1-CD2 4.23Å; I1808-Y1850 HydrophobicContact CD1-CE1 3.99Å; I1808-Y1850 HydrophobicContact CD1-CE2 3.85Å; I1808-Y1850 HydrophobicContact CD1-CG 4.32Å; I1808-Y1850 HydrophobicContact CG1-CE2 4.23Å; I1808-Y1850 HydrophobicContact CG2-CD1 4.27Å; I1808-Y1850 HydrophobicContact CG2-CD2 4.27Å; I1808-Y1850 HydrophobicContact CG2-CE1 3.63Å; I1808-Y1850 VanDerWaalsContact CG2-CE1 3.41Å; I1808-Y1850 HydrophobicContact CG2-CE2 4.23Å; I1808-Y1850 WeakPolarHBondContact CG2-OH 3.25Å; V1810-Y1850 HydrophobicContact CG1-CE2 4.1Å; V1810-Y1850 HydrophobicContact CG2-CE2 4.23Å; D1837-Y1850 CarbonylContact C-O 3.55Å; D1837-Y1850 WeakPolarHBondContact CA-O 3.27Å; L1838-Y1850 WeakPolarHBondContact CB-O 3.36Å; L1838-Y1850 PolarHBondContact N-O 3.16Å; L1838-Y1850 PolarHBondContact O-N 3.04Å; I1840-Y1850 HydrophobicContact CD1-CD2 3.5Å; I1840-Y1850 VanDerWaalsContact CD1-CD2 3.44Å; I1840-Y1850 HydrophobicContact CD1-CE2 3.65Å; I1840-Y1850 HydrophobicContact CD1-CG 4.39Å; I1840-Y1850 HydrophobicContact CG1-CD2 4.35Å; H1848-Y1850 HydrophobicContact CB-CD2 4.3Å; H1848-Y1850 HydrophobicContact CB-CE2 3.77Å; Y1850-L1855 WeakPolarHBondContact CD1-O 3.25Å; Y1850-L1855 VanDerWaalsContact CE2-C 3.48Å; Y1850-L1855 WeakPolarHBondContact CE2-O 3.38Å; Y1850-L1855 WeakPolarHBondContact OH-CA 3.45Å; Y1850-L1855 WeakPolarHBondContact OH-CB 3.43Å; Y1850-L1855 PolarHBondContact OH-O 2.9Å; Y1850-S1856 WeakPolarHBondContact CA-O 3.21Å; Y1850-I1857 HydrophobicContact CD1-CB 4.41Å; Y1850-I1857 HydrophobicContact CD1-CG1 4.14Å; Y1850-I1857 HydrophobicContact CD2-CG1 4.18Å; Y1850-I1857 HydrophobicContact CE1-CB 4.02Å; Y1850-I1857 HydrophobicContact CE1-CD1 4.41Å; Y1850-I1857 HydrophobicContact CE1-CG1 3.48Å; Y1850-I1857 VanDerWaalsContact CE1-CG1 3.43Å; Y1850-I1857 HydrophobicContact CE2-CB 4.46Å; Y1850-I1857 HydrophobicContact CE2-CD1 4.46Å; Y1850-I1857 HydrophobicContact CE2-CG1 4.09Å; Y1850-I1857 WeakPolarHBondContact OH-CD1 3.28Å; Y1850-I1857 WeakPolarHBondContact OH-CG1 3.42Å |
| 1851 | N | 84.9 | Confident | 83.6 | Confident | 32.2 Ų | 32.2 | 38.2 Ų | 38.2 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.9 | 172.7 | 176.2 | -29.8 | 0 | 0 | 0 | 108.4 | D1837 S1853 S1854 L1855 S1856 V1858 | D1837-N1851 WeakPolarHBondContact OD1-CA 3.44Å; D1837-N1851 WeakPolarHBondContact OD1-CB 3.44Å; N1851-S1853 VanDerWaalsContact C-N 3.29Å; N1851-S1853 VanDerWaalsContact CG-OG 3.27Å; N1851-S1853 PolarHBondContact ND2-OG 3Å; N1851-S1853 PolarHBondContact O-N 3.09Å; N1851-S1853 WeakPolarHBondContact OD1-CA 3.39Å; N1851-S1853 WeakPolarHBondContact OD1-CB 3.39Å; N1851-S1853 PolarHBondContact OD1-N 3.16Å; N1851-S1853 PolarHBondContact OD1-OG 3.14Å; N1851-S1854 WeakPolarHBondContact CB-OG 3.32Å; N1851-S1854 PolarHBondContact O-N 3.1Å; N1851-S1854 PolarHBondContact OD1-N 3.05Å; N1851-S1854 PolarHBondContact OD1-OG 2.89Å; N1851-L1855 WeakPolarHBondContact O-CA 3.4Å; N1851-L1855 PolarHBondContact O-N 3.2Å; N1851-S1856 PolarHBondContact N-O 3.13Å; N1851-S1856 VanDerWaalsContact N-O 3.14Å; N1851-V1858 HydrophobicContact CB-CG2 3.41Å; N1851-V1858 VanDerWaalsContact CB-CG2 3.46Å; N1851-V1858 VanDerWaalsContact N-CG2 3.32Å |
| 1852 | L | 81.1 | Confident | 83.2 | Confident | 10.6 Ų | 10.6 | 41.7 Ų | 41.7 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.5 | -176.6 | -73.3 | 165 | 0 | 0 | 0 | 114 | R1766 L1768 L1780 F1820 D1836 L1838 | R1766-L1852 PolarHBondContact NH1-O 3.01Å; L1768-L1852 HydrophobicContact CD1-CD2 3.99Å; L1780-L1852 HydrophobicContact CD1-CD2 4.28Å; F1820-L1852 HydrophobicContact CD1-CD1 3.73Å; F1820-L1852 HydrophobicContact CD1-CD2 4.42Å; F1820-L1852 HydrophobicContact CD1-CG 4.48Å; F1820-L1852 HydrophobicContact CE1-CD1 3.71Å; F1820-L1852 HydrophobicContact CE1-CD2 3.84Å; F1820-L1852 HydrophobicContact CE1-CG 4.3Å; D1836-L1852 HydrophobicContact CB-CB 4.07Å; D1836-L1852 HydrophobicContact CB-CD1 3.82Å; D1836-L1852 HydrophobicContact CB-CG 4.45Å; D1836-L1852 VanDerWaalsContact O-CB 3.3Å; D1836-L1852 WeakPolarHBondContact O-CB 3.33Å; D1836-L1852 WeakPolarHBondContact O-CD1 3.49Å; D1836-L1852 WeakPolarHBondContact O-CG 3.4Å; D1836-L1852 PolarHBondContact O-N 3.19Å; L1838-L1852 HydrophobicContact CB-CD2 4.22Å; L1838-L1852 HydrophobicContact CB-CG 4.4Å; L1838-L1852 HydrophobicContact CD2-CD2 4.43Å |
| 1853 | S | 78.9 | Confident | 82.4 | Confident | 83.8 Ų | 83.8 | 42.2 Ų | 42.2 | 59% | 0.586 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -43.2 | 177.7 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | N1851 | N1851-S1853 VanDerWaalsContact C-N 3.29Å; N1851-S1853 VanDerWaalsContact CG-OG 3.27Å; N1851-S1853 PolarHBondContact ND2-OG 3Å; N1851-S1853 PolarHBondContact O-N 3.09Å; N1851-S1853 WeakPolarHBondContact OD1-CA 3.39Å; N1851-S1853 WeakPolarHBondContact OD1-CB 3.39Å; N1851-S1853 PolarHBondContact OD1-N 3.16Å; N1851-S1853 PolarHBondContact OD1-OG 3.14Å |
| 1854 | S | 78.6 | Confident | 81.8 | Confident | 62.8 Ų | 62.8 | 40 Ų | 40 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -16.3 | -179 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | N1851 S1856 | N1851-S1854 WeakPolarHBondContact CB-OG 3.32Å; N1851-S1854 PolarHBondContact O-N 3.1Å; N1851-S1854 PolarHBondContact OD1-N 3.05Å; N1851-S1854 PolarHBondContact OD1-OG 2.89Å; S1854-S1856 WeakPolarHBondContact CB-OG 3.47Å; S1854-S1856 PolarHBondContact O-N 3.27Å; S1854-S1856 VanDerWaalsContact O-N 3.08Å; S1854-S1856 PolarHBondContact OG-N 3.29Å; S1854-S1856 PolarHBondContact OG-OG 3.12Å |
| 1855 | L | 78.1 | Confident | 81.3 | Confident | 52.6 Ų | 52.6 | 42.6 Ų | 42.6 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | trans | 51.2 | 27 | -169.9 | -66.4 | 156 | 0 | 0 | 0 | 113 | L1780 F1805 K1806 I1808 Y1850 N1851 | L1780-L1855 HydrophobicContact CD1-CD2 3.62Å; F1805-L1855 HydrophobicContact CE2-CD1 4.24Å; F1805-L1855 HydrophobicContact CE2-CD2 4.42Å; K1806-L1855 HydrophobicContact CB-CD1 4.33Å; K1806-L1855 HydrophobicContact CD-CD1 4.09Å; K1806-L1855 HydrophobicContact CD-CD2 4.48Å; K1806-L1855 HydrophobicContact CG-CD1 3.85Å; K1806-L1855 HydrophobicContact CG-CD2 4.4Å; I1808-L1855 HydrophobicContact CD1-CD2 3.99Å; Y1850-L1855 WeakPolarHBondContact CD1-O 3.25Å; Y1850-L1855 VanDerWaalsContact CE2-C 3.48Å; Y1850-L1855 WeakPolarHBondContact CE2-O 3.38Å; Y1850-L1855 WeakPolarHBondContact OH-CA 3.45Å; Y1850-L1855 WeakPolarHBondContact OH-CB 3.43Å; Y1850-L1855 PolarHBondContact OH-O 2.9Å; N1851-L1855 WeakPolarHBondContact O-CA 3.4Å; N1851-L1855 PolarHBondContact O-N 3.2Å | ||
| 1856 | S | 81.9 | Confident | 81.2 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | trans | -103 | 148.4 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | Y1850 N1851 S1854 V1858 | Y1850-S1856 WeakPolarHBondContact CA-O 3.21Å; N1851-S1856 PolarHBondContact N-O 3.13Å; N1851-S1856 VanDerWaalsContact N-O 3.14Å; S1854-S1856 WeakPolarHBondContact CB-OG 3.47Å; S1854-S1856 PolarHBondContact O-N 3.27Å; S1854-S1856 VanDerWaalsContact O-N 3.08Å; S1854-S1856 PolarHBondContact OG-N 3.29Å; S1854-S1856 PolarHBondContact OG-OG 3.12Å; S1856-V1858 PolarHBondContact O-N 3.31Å; S1856-V1858 VanDerWaalsContact O-N 3.1Å | ||
| 1857 | I | 81.9 | Confident | 81.1 | Confident | 81.6 Ų | 81.6 | 41.9 Ų | 41.9 | 42% | 0.418 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 118.6 | 170.1 | -98.3 | 167.1 | 0 | 0 | 0 | 107.6 | V1810 H1848 F1849 Y1850 R1859 S1860 | V1810-I1857 HydrophobicContact CG1-CD1 4.22Å; H1848-I1857 HydrophobicContact CB-CD1 4.11Å; H1848-I1857 HydrophobicContact CB-CG2 4.39Å; H1848-I1857 WeakPolarHBondContact ND1-CD1 3.47Å; F1849-I1857 CarbonylContact O-C 3.57Å; F1849-I1857 WeakPolarHBondContact O-CA 3.27Å; F1849-I1857 WeakPolarHBondContact O-CG1 3.18Å; Y1850-I1857 HydrophobicContact CD1-CB 4.41Å; Y1850-I1857 HydrophobicContact CD1-CG1 4.14Å; Y1850-I1857 HydrophobicContact CD2-CG1 4.18Å; Y1850-I1857 HydrophobicContact CE1-CB 4.02Å; Y1850-I1857 HydrophobicContact CE1-CD1 4.41Å; Y1850-I1857 HydrophobicContact CE1-CG1 3.48Å; Y1850-I1857 VanDerWaalsContact CE1-CG1 3.43Å; Y1850-I1857 HydrophobicContact CE2-CB 4.46Å; Y1850-I1857 HydrophobicContact CE2-CD1 4.46Å; Y1850-I1857 HydrophobicContact CE2-CG1 4.09Å; Y1850-I1857 WeakPolarHBondContact OH-CD1 3.28Å; Y1850-I1857 WeakPolarHBondContact OH-CG1 3.42Å; I1857-R1859 WeakPolarHBondContact CG1-O 3.49Å; I1857-R1859 WeakPolarHBondContact CG2-O 3.49Å; I1857-S1860 WeakPolarHBondContact CD1-OG 3.33Å |
| 1858 | V | 81.7 | Confident | 80.8 | Confident | 68.8 Ų | 68.8 | 41.9 Ų | 41.9 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -44.4 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | F1849 N1851 S1856 | F1849-V1858 HydrophobicContact CB-CB 4.45Å; F1849-V1858 PolarHBondContact O-N 3.11Å; N1851-V1858 HydrophobicContact CB-CG2 3.41Å; N1851-V1858 VanDerWaalsContact CB-CG2 3.46Å; N1851-V1858 VanDerWaalsContact N-CG2 3.32Å; S1856-V1858 PolarHBondContact O-N 3.31Å; S1856-V1858 VanDerWaalsContact O-N 3.1Å |
| 1859 | R | 82.2 | Confident | 80.6 | Confident | 69.6 Ų | 69.6 | 40.8 Ų | 40.8 | 26% | 0.263 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 160.5 | -170.7 | 8.9 | -170.5 | -160.2 | 174.3 | 3.4 | 111.9 | D1837 F1849 I1857 D1894 L1897 | D1837-R1859 IonicContact OD2-NH2 3.5Å; D1837-R1859 PolarHBondContact OD2-NH2 3.3Å; F1849-R1859 HydrophobicContact CB-CB 4.35Å; F1849-R1859 HydrophobicContact CB-CG 3.6Å; F1849-R1859 HydrophobicContact CD2-CB 3.94Å; F1849-R1859 HydrophobicContact CD2-CG 3.75Å; F1849-R1859 HydrophobicContact CG-CB 4.43Å; F1849-R1859 HydrophobicContact CG-CG 3.82Å; F1849-R1859 PolarHBondContact N-O 3.12Å; F1849-R1859 PolarHBondContact O-N 3.1Å; I1857-R1859 WeakPolarHBondContact CG1-O 3.49Å; I1857-R1859 WeakPolarHBondContact CG2-O 3.49Å; R1859-D1894 IonicContact CZ-OD1 3.42Å; R1859-D1894 PolarHBondContact NH1-O 2.86Å; R1859-D1894 VanDerWaalsContact NH1-O 3.13Å; R1859-D1894 PolarHBondContact NH2-O 3.07Å; R1859-D1894 IonicContact NH2-OD1 3.64Å; R1859-D1894 PolarHBondContact NH2-OD1 2.92Å; R1859-D1894 VanDerWaalsContact NH2-OD1 3.11Å; R1859-D1894 IonicContact NH2-OD2 3.42Å; R1859-D1894 PolarHBondContact NH2-OD2 3.37Å; R1859-L1897 HydrophobicContact CB-CD1 4.19Å; R1859-L1897 VanDerWaalsContact CZ-CD1 3.41Å; R1859-L1897 VanDerWaalsContact NH1-CD1 3.3Å |
| 1860 | S | 83.4 | Confident | 80.7 | Confident | 76.4 Ų | 76.4 | 40.9 Ų | 40.9 | 53% | 0.534 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141 | 170.2 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | I1847 H1848 I1857 | I1847-S1860 CarbonylContact O-C 3.53Å; I1847-S1860 VanDerWaalsContact O-CA 3.26Å; I1847-S1860 WeakPolarHBondContact O-CA 3.25Å; H1848-S1860 PolarHBondContact ND1-OG 2.87Å; I1857-S1860 WeakPolarHBondContact CD1-OG 3.33Å |
| 1861 | L | 82 | Confident | 80.7 | Confident | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.1 | 179.8 | 177.8 | 74.3 | 0 | 0 | 0 | 109.2 | T1846 I1847 F1849 A1863 W1892 L1897 | T1846-L1861 CarbonylContact C-O 3.55Å; T1846-L1861 VanDerWaalsContact CA-O 3.3Å; T1846-L1861 WeakPolarHBondContact CA-O 3.12Å; I1847-L1861 HydrophobicContact CB-CB 4.46Å; I1847-L1861 HydrophobicContact CD1-CD2 4.44Å; I1847-L1861 PolarHBondContact N-O 3.21Å; I1847-L1861 PolarHBondContact O-N 3.22Å; F1849-L1861 HydrophobicContact CE2-CB 4.06Å; L1861-A1863 HydrophobicContact CD2-CB 4.4Å; L1861-A1863 PolarHBondContact O-N 3.44Å; L1861-W1892 HydrophobicContact CD1-CE3 4.36Å; L1861-W1892 HydrophobicContact CD1-CZ3 4.2Å; L1861-W1892 HydrophobicContact CD2-CD2 3.91Å; L1861-W1892 HydrophobicContact CD2-CE3 3.77Å; L1861-W1892 HydrophobicContact CD2-CG 4.41Å; L1861-W1892 HydrophobicContact CD2-CH2 4.22Å; L1861-W1892 HydrophobicContact CD2-CZ2 4.23Å; L1861-W1892 HydrophobicContact CD2-CZ3 3.96Å; L1861-W1892 HydrophobicContact CG-CZ3 4.4Å; L1861-L1897 HydrophobicContact CB-CD2 4.38Å; L1861-L1897 HydrophobicContact CD2-CD2 4.25Å |
| 1862 | S | 80.3 | Confident | 80.8 | Confident | 71.8 Ų | 71.8 | 40.4 Ų | 40.4 | 50% | 0.502 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 101.1 | 167.8 | -177 | 0 | 0 | 0 | 0 | 108.5 | R2432 | S1862-R2432 PolarHBondContact OG-NH2 2.83Å |
| 1863 | A | 71.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | trans | -85.6 | -39.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1845 I1847 L1861 T1882 M1890 W1892 | G1845-A1863 PolarHBondContact O-N 3.23Å; I1847-A1863 HydrophobicContact CD1-CB 3.64Å; I1847-A1863 HydrophobicContact CG1-CB 4.37Å; L1861-A1863 HydrophobicContact CD2-CB 4.4Å; L1861-A1863 PolarHBondContact O-N 3.44Å; A1863-T1882 HydrophobicContact CB-CG2 4.44Å; A1863-M1890 HydrophobicContact CB-CE 4.16Å; A1863-M1890 WeakPolarHBondContact O-CE 3.29Å; A1863-M1890 VanDerWaalsContact O-SD 3.4Å; A1863-W1892 HydrophobicContact CB-CH2 4.19Å; A1863-W1892 HydrophobicContact CB-CZ2 3.51Å; A1863-W1892 VanDerWaalsContact CB-CZ2 3.49Å | ||
| 1864 | S | 70.2 | Confident | 80.6 | Confident | 18.8 Ų | 18.8 | 38.1 Ų | 38.1 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | trans | -153.2 | -168.6 | -178.6 | 83.6 | 0 | 0 | 0 | 0 | 110.9 | G1845 S1866 N1884 | G1845-S1864 CarbonylContact C-O 3.45Å; G1845-S1864 VanDerWaalsContact CA-O 3.29Å; G1845-S1864 WeakPolarHBondContact CA-O 3.32Å; G1845-S1864 PolarHBondContact O-N 3.01Å; S1864-S1866 PolarHBondContact OG-N 3.12Å; S1864-N1884 VanDerWaalsContact CB-ND2 3.32Å; S1864-N1884 WeakPolarHBondContact CB-ND2 3.41Å; S1864-N1884 VanDerWaalsContact OG-CB 3.29Å; S1864-N1884 WeakPolarHBondContact OG-CB 3.34Å; S1864-N1884 PolarHBondContact OG-ND2 3.17Å; S1864-N1884 VanDerWaalsContact OG-ND2 3.15Å | ||
| 1865 | T | 71.5 | Confident | 80.2 | Confident | 100 Ų | 100 | 38.6 Ų | 38.6 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -94.2 | -18.2 | 174 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | D1844 | D1844-T1865 CarbonylContact C-O 3.55Å; D1844-T1865 VanDerWaalsContact C-O 3.31Å; D1844-T1865 CarbonylContact O-C 3.56Å; D1844-T1865 VanDerWaalsContact O-O 3.14Å |
| 1866 | S | 78.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -157 | 89.4 | -178.1 | -77.6 | 0 | 0 | 0 | 0 | 112.5 | W1843 S1864 N1884 K1885 | W1843-S1866 VanDerWaalsContact CE2-OG 3.26Å; W1843-S1866 WeakPolarHBondContact CZ2-OG 3.09Å; W1843-S1866 PolarHBondContact NE1-OG 3.26Å; W1843-S1866 VanDerWaalsContact O-CA 3.24Å; W1843-S1866 WeakPolarHBondContact O-CA 3.28Å; W1843-S1866 PolarHBondContact O-OG 2.97Å; W1843-S1866 VanDerWaalsContact O-OG 3.14Å; S1864-S1866 PolarHBondContact OG-N 3.12Å; S1866-N1884 CarbonylContact O-C 3.56Å; S1866-N1884 VanDerWaalsContact O-CA 3.24Å; S1866-N1884 WeakPolarHBondContact O-CA 3.34Å; S1866-N1884 VanDerWaalsContact O-CB 3.24Å; S1866-N1884 WeakPolarHBondContact O-CB 3.39Å; S1866-K1885 VanDerWaalsContact CB-CD 3.43Å; S1866-K1885 PolarHBondContact O-N 3.12Å; S1866-K1885 WeakPolarHBondContact OG-CD 3.24Å; S1866-K1885 VanDerWaalsContact OG-CE 3.3Å; S1866-K1885 WeakPolarHBondContact OG-CE 3.35Å; S1866-K1885 PolarHBondContact OG-NZ 3.25Å; S1866-K1885 VanDerWaalsContact OG-NZ 3.1Å |
| 1867 | L | 84.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.4 | -178.3 | -169.4 | 88 | 0 | 0 | 0 | 111 | V1816 G1841 C1842 W1843 I1847 L1870 T1882 F1883 | V1816-L1867 HydrophobicContact CB-CD2 4.49Å; V1816-L1867 WeakPolarHBondContact CG1-O 3.26Å; V1816-L1867 WeakPolarHBondContact CG2-O 3.36Å; G1841-L1867 VanDerWaalsContact CA-CD2 3.45Å; C1842-L1867 WeakPolarHBondContact O-CB 3.33Å; W1843-L1867 PolarHBondContact O-N 3.11Å; I1847-L1867 HydrophobicContact CD1-CD1 4.06Å; I1847-L1867 HydrophobicContact CD1-CD2 4.37Å; I1847-L1867 HydrophobicContact CG1-CD1 4.09Å; I1847-L1867 HydrophobicContact CG1-CD2 4.19Å; L1867-L1870 HydrophobicContact CD2-CB 4.36Å; L1867-L1870 HydrophobicContact CD2-CD1 4.4Å; L1867-L1870 HydrophobicContact CD2-CD2 3.87Å; L1867-T1882 HydrophobicContact CD1-CG2 4.2Å; L1867-F1883 WeakPolarHBondContact CD1-O 3.49Å |
| 1868 | C | 81.6 | Confident | 78.8 | Confident | 0.4 Ų | 0.4 | 33 Ų | 33 | 0% | 0.003 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -29 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | V1816 F1883 N1884 K1885 P1925 N1926 Y1928 | V1816-C1868 VanDerWaalsContact CG1-C 3.49Å; V1816-C1868 WeakPolarHBondContact CG1-O 3.24Å; C1868-F1883 HydrophobicContact CB-CD1 3.9Å; C1868-F1883 HydrophobicContact CB-CE1 4.36Å; C1868-F1883 PolarHBondContact N-O 3.09Å; C1868-N1884 VanDerWaalsContact SG-C 3.58Å; C1868-K1885 VanDerWaalsContact SG-CA 3.54Å; C1868-K1885 WeakPolarHBondContact SG-CA 3.35Å; C1868-K1885 PolarHBondContact SG-N 3.12Å; C1868-P1925 PolarHBondContact SG-O 2.93Å; C1868-N1926 PolarHBondContact O-OD1 3.1Å; C1868-Y1928 VanDerWaalsContact SG-CB 3.52Å; C1868-Y1928 WeakPolarHBondContact SG-CB 3.2Å |
| 1869 | S | 84.3 | Confident | 78.7 | Confident | 2.2 Ų | 2.2 | 31.2 Ų | 31.2 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 152.3 | 179.5 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | T1882 F1883 K1930 I1931 | S1869-T1882 CarbonylContact O-C 3.49Å; S1869-T1882 WeakPolarHBondContact O-CA 3.16Å; S1869-F1883 PolarHBondContact N-O 3.08Å; S1869-F1883 VanDerWaalsContact N-O 3.1Å; S1869-F1883 PolarHBondContact O-N 3.23Å; S1869-K1930 WeakPolarHBondContact OG-CD 3.39Å; S1869-K1930 WeakPolarHBondContact OG-CG 3.13Å; S1869-I1931 VanDerWaalsContact OG-CG1 3.24Å; S1869-I1931 WeakPolarHBondContact OG-CG1 3.38Å; S1869-I1931 PolarHBondContact OG-N 3.08Å; S1869-I1931 VanDerWaalsContact OG-N 3.1Å |
| 1870 | L | 89.3 | Confident | 78.9 | Confident | 4.4 Ų | 4.4 | 27.9 Ų | 27.9 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.1 | 175.2 | 129.5 | 134.7 | 0 | 0 | 0 | 110.4 | S1817 A1819 A1839 I1847 L1867 L1880 A1881 T1882 | S1817-L1870 VanDerWaalsContact CB-N 3.3Å; S1817-L1870 VanDerWaalsContact O-CD2 3.23Å; S1817-L1870 WeakPolarHBondContact O-CD2 3.17Å; S1817-L1870 PolarHBondContact OG-N 3.12Å; S1817-L1870 PolarHBondContact OG-O 3.14Å; A1819-L1870 HydrophobicContact CB-CD1 3.62Å; A1819-L1870 HydrophobicContact CB-CD2 3.81Å; A1839-L1870 HydrophobicContact CB-CD1 3.87Å; A1839-L1870 HydrophobicContact CB-CD2 4.01Å; I1847-L1870 HydrophobicContact CB-CD1 4.25Å; I1847-L1870 HydrophobicContact CD1-CD1 3.75Å; I1847-L1870 HydrophobicContact CG1-CD1 3.88Å; I1847-L1870 HydrophobicContact CG2-CD1 3.63Å; L1867-L1870 HydrophobicContact CD2-CB 4.36Å; L1867-L1870 HydrophobicContact CD2-CD1 4.4Å; L1867-L1870 HydrophobicContact CD2-CD2 3.87Å; L1870-L1880 HydrophobicContact CB-CD1 4.49Å; L1870-L1880 HydrophobicContact CD1-CD1 4.01Å; L1870-L1880 HydrophobicContact CD1-CD2 4.21Å; L1870-L1880 HydrophobicContact CD1-CG 4.07Å; L1870-L1880 HydrophobicContact CD2-CD1 3.51Å; L1870-L1880 HydrophobicContact CD2-CG 4.45Å; L1870-L1880 HydrophobicContact CG-CD1 3.85Å; L1870-L1880 HydrophobicContact CG-CG 4.38Å; L1870-A1881 CarbonylContact C-O 3.53Å; L1870-A1881 VanDerWaalsContact CA-O 3.27Å; L1870-A1881 WeakPolarHBondContact CA-O 3.36Å; L1870-T1882 HydrophobicContact CD1-CG2 4.08Å; L1870-T1882 HydrophobicContact CG-CG2 4.3Å |
| 1871 | A | 87.4 | Confident | 79 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1881 I1931 F1933 | A1871-A1881 PolarHBondContact N-O 3.11Å; A1871-A1881 VanDerWaalsContact N-O 3.08Å; A1871-A1881 PolarHBondContact O-N 3.09Å; A1871-I1931 HydrophobicContact CB-CD1 4.41Å; A1871-I1931 HydrophobicContact CB-CG1 4.31Å; A1871-F1933 HydrophobicContact CB-CD2 3.88Å; A1871-F1933 HydrophobicContact CB-CE2 4.05Å; A1871-F1933 WeakPolarHBondContact O-CE2 3.39Å |
| 1872 | Y | 87.5 | Confident | 79.2 | Confident | 20.4 Ų | 20.4 | 23 Ų | 23 | 8% | 0.08 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148.6 | 169.6 | -86.1 | -69.3 | 0 | 0 | 0 | 111.5 | A1819 F1820 R1821 A1839 F1849 G1877 L1880 D1894 F1933 | A1819-Y1872 HydrophobicContact CB-CD2 3.77Å; A1819-Y1872 HydrophobicContact CB-CE2 4.42Å; F1820-Y1872 WeakPolarHBondContact O-CD2 3.42Å; R1821-Y1872 HydrophobicContact CB-CD1 4.44Å; R1821-Y1872 HydrophobicContact CB-CD2 4.26Å; R1821-Y1872 HydrophobicContact CB-CE1 4.29Å; R1821-Y1872 HydrophobicContact CB-CE2 3.98Å; R1821-Y1872 HydrophobicContact CB-CG 4.46Å; R1821-Y1872 HydrophobicContact CG-CD1 4.34Å; R1821-Y1872 HydrophobicContact CG-CE1 4.25Å; A1839-Y1872 HydrophobicContact CB-CD2 4.42Å; A1839-Y1872 HydrophobicContact CB-CE2 3.46Å; A1839-Y1872 VanDerWaalsContact CB-CE2 3.45Å; F1849-Y1872 VanDerWaalsContact CD1-OH 3.29Å; F1849-Y1872 WeakPolarHBondContact CD1-OH 3.31Å; F1849-Y1872 VanDerWaalsContact CE1-OH 3.23Å; F1849-Y1872 WeakPolarHBondContact CE1-OH 3.35Å; Y1872-G1877 WeakPolarHBondContact CD1-O 3.31Å; Y1872-G1877 WeakPolarHBondContact CE1-O 3.28Å; Y1872-L1880 HydrophobicContact CD1-CB 4.16Å; Y1872-L1880 HydrophobicContact CD1-CD1 3.92Å; Y1872-L1880 HydrophobicContact CD2-CD1 4.13Å; Y1872-L1880 HydrophobicContact CE1-CB 3.94Å; Y1872-L1880 HydrophobicContact CE1-CD1 3.8Å; Y1872-L1880 HydrophobicContact CE1-CG 4.4Å; Y1872-L1880 HydrophobicContact CE2-CD1 4.02Å; Y1872-L1880 HydrophobicContact CG-CD1 4.09Å; Y1872-D1894 HydrophobicContact CE1-CB 3.97Å; Y1872-D1894 WeakPolarHBondContact CE1-OD1 2.92Å; Y1872-D1894 VanDerWaalsContact OH-CG 3.24Å; Y1872-D1894 PolarHBondContact OH-OD1 3.16Å; Y1872-D1894 PolarHBondContact OH-OD2 3.13Å; Y1872-D1894 VanDerWaalsContact OH-OD2 3.07Å; Y1872-F1933 VanDerWaalsContact O-CD2 3.29Å; Y1872-F1933 WeakPolarHBondContact O-CD2 3.33Å |
| 1873 | S | 82.5 | Confident | 79.3 | Confident | 4.6 Ų | 4.6 | 19.6 Ų | 19.6 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | trans | -68.2 | 136.8 | 171 | 63 | 0 | 0 | 0 | 0 | 111.3 | N1875 G1877 N1878 I1879 | S1873-N1875 WeakPolarHBondContact CB-OD1 3.39Å; S1873-N1875 PolarHBondContact O-N 3.14Å; S1873-N1875 VanDerWaalsContact O-N 3.16Å; S1873-N1875 PolarHBondContact OG-OD1 3.27Å; S1873-G1877 VanDerWaalsContact O-CA 3.25Å; S1873-G1877 WeakPolarHBondContact O-CA 3.28Å; S1873-G1877 PolarHBondContact O-N 3.09Å; S1873-G1877 VanDerWaalsContact O-N 3.1Å; S1873-N1878 PolarHBondContact OG-N 3.39Å; S1873-I1879 WeakPolarHBondContact CB-O 3.31Å; S1873-I1879 PolarHBondContact N-O 3.1Å; S1873-I1879 WeakPolarHBondContact OG-CA 3.22Å; S1873-I1879 PolarHBondContact OG-N 3.19Å; S1873-I1879 VanDerWaalsContact OG-N 3.14Å; S1873-I1879 PolarHBondContact OG-O 3.16Å | ||
| 1874 | P | 74.1 | Confident | 79.6 | Confident | 40.4 Ų | 40.4 | 19.2 Ų | 19.2 | 26% | 0.262 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.4 | -176.2 | 25.9 | -35 | 0 | 0 | 0 | 114.5 | G1876 F1933 K1935 P1936 | P1874-G1876 VanDerWaalsContact C-N 3.31Å; P1874-G1876 PolarHBondContact O-N 3.23Å; P1874-G1876 VanDerWaalsContact O-N 3.11Å; P1874-F1933 HydrophobicContact CG-CB 4.44Å; P1874-K1935 HydrophobicContact CB-CG 4.39Å; P1874-P1936 VanDerWaalsContact CB-O 3.27Å; P1874-P1936 WeakPolarHBondContact CB-O 3.39Å; P1874-P1936 VanDerWaalsContact CG-O 3.27Å; P1874-P1936 WeakPolarHBondContact CG-O 3.4Å |
| 1875 | N | 69.6 | Low | 79.6 | Confident | 73 Ų | 73 | 22 Ų | 22 | 39% | 0.39 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 40.1 | -178 | 53.5 | -12.4 | 0 | 0 | 0 | 113.9 | S1873 G1877 P1936 N1937 | S1873-N1875 WeakPolarHBondContact CB-OD1 3.39Å; S1873-N1875 PolarHBondContact O-N 3.14Å; S1873-N1875 VanDerWaalsContact O-N 3.16Å; S1873-N1875 PolarHBondContact OG-OD1 3.27Å; N1875-G1877 VanDerWaalsContact C-N 3.3Å; N1875-G1877 PolarHBondContact O-N 3.22Å; N1875-P1936 PolarHBondContact OD1-O 3.23Å; N1875-N1937 PolarHBondContact ND2-O 3.46Å |
| 1876 | G | 68.5 | Low | 79.3 | Confident | 4.4 Ų | 4.4 | 21 Ų | 21 | 5% | 0.045 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1821 L1822 P1874 N1878 | R1821-G1876 PolarHBondContact NE-O 3.09Å; L1822-G1876 CarbonylContact O-C 3.51Å; L1822-G1876 VanDerWaalsContact O-CA 3.22Å; L1822-G1876 WeakPolarHBondContact O-CA 3.35Å; P1874-G1876 VanDerWaalsContact C-N 3.31Å; P1874-G1876 PolarHBondContact O-N 3.23Å; P1874-G1876 VanDerWaalsContact O-N 3.11Å; G1876-N1878 VanDerWaalsContact C-N 3.34Å; G1876-N1878 PolarHBondContact O-N 3.05Å |
| 1877 | G | 68.9 | Low | 78.8 | Confident | 0.4 Ų | 0.4 | 20.5 Ų | 20.5 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 69.9 | 27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R1821 Y1872 S1873 N1875 I1879 D1894 | R1821-G1877 PolarHBondContact NE-O 3.07Å; R1821-G1877 VanDerWaalsContact NE-O 3.16Å; Y1872-G1877 WeakPolarHBondContact CD1-O 3.31Å; Y1872-G1877 WeakPolarHBondContact CE1-O 3.28Å; S1873-G1877 VanDerWaalsContact O-CA 3.25Å; S1873-G1877 WeakPolarHBondContact O-CA 3.28Å; S1873-G1877 PolarHBondContact O-N 3.09Å; S1873-G1877 VanDerWaalsContact O-N 3.1Å; N1875-G1877 VanDerWaalsContact C-N 3.3Å; N1875-G1877 PolarHBondContact O-N 3.22Å; G1877-I1879 VanDerWaalsContact C-N 3.28Å; G1877-I1879 PolarHBondContact O-N 3.16Å; G1877-D1894 WeakPolarHBondContact O-CB 3.46Å |
| 1878 | N | 75.2 | Confident | 78.1 | Confident | 69.4 Ų | 69.4 | 22.7 Ų | 22.7 | 37% | 0.371 | 12% | 0.121 | S | C | . | . | trans | -65.9 | -29.5 | 178.6 | -64.3 | 5.3 | 0 | 0 | 0 | 112.4 | S1873 G1876 N1893 D1894 | S1873-N1878 PolarHBondContact OG-N 3.39Å; G1876-N1878 VanDerWaalsContact C-N 3.34Å; G1876-N1878 PolarHBondContact O-N 3.05Å; N1878-N1893 CarbonylContact O-C 3.43Å; N1878-N1893 WeakPolarHBondContact O-CA 3.11Å; N1878-D1894 PolarHBondContact O-N 3.01Å | ||
| 1879 | I | 79.7 | Confident | 77.9 | Confident | 31.2 Ų | 31.2 | 22.9 Ų | 22.9 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.4 | 179.9 | -55 | 171.8 | 0 | 0 | 0 | 108.9 | S1873 G1877 L1891 W1892 F1933 | S1873-I1879 WeakPolarHBondContact CB-O 3.31Å; S1873-I1879 PolarHBondContact N-O 3.1Å; S1873-I1879 WeakPolarHBondContact OG-CA 3.22Å; S1873-I1879 PolarHBondContact OG-N 3.19Å; S1873-I1879 VanDerWaalsContact OG-N 3.14Å; S1873-I1879 PolarHBondContact OG-O 3.16Å; G1877-I1879 VanDerWaalsContact C-N 3.28Å; G1877-I1879 PolarHBondContact O-N 3.16Å; I1879-L1891 HydrophobicContact CG2-CB 4.15Å; I1879-L1891 HydrophobicContact CG2-CD2 4.19Å; I1879-L1891 HydrophobicContact CG2-CG 4.49Å; I1879-W1892 CarbonylContact C-O 3.54Å; I1879-W1892 WeakPolarHBondContact CA-O 3.31Å; I1879-F1933 HydrophobicContact CG2-CZ 4.33Å |
| 1880 | L | 85.4 | Confident | 77.6 | Confident | 0.6 Ų | 0.6 | 24 Ų | 24 | 0% | 0.003 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.5 | 167.6 | 178.8 | 75.7 | 0 | 0 | 0 | 108.5 | A1839 I1847 F1849 L1870 Y1872 T1882 L1891 W1892 D1894 | A1839-L1880 HydrophobicContact CB-CD1 4.33Å; I1847-L1880 HydrophobicContact CD1-CD2 4.32Å; I1847-L1880 HydrophobicContact CG2-CD2 4.39Å; F1849-L1880 HydrophobicContact CE1-CD2 3.95Å; F1849-L1880 HydrophobicContact CZ-CD2 3.76Å; L1870-L1880 HydrophobicContact CB-CD1 4.49Å; L1870-L1880 HydrophobicContact CD1-CD1 4.01Å; L1870-L1880 HydrophobicContact CD1-CD2 4.21Å; L1870-L1880 HydrophobicContact CD1-CG 4.07Å; L1870-L1880 HydrophobicContact CD2-CD1 3.51Å; L1870-L1880 HydrophobicContact CD2-CG 4.45Å; L1870-L1880 HydrophobicContact CG-CD1 3.85Å; L1870-L1880 HydrophobicContact CG-CG 4.38Å; Y1872-L1880 HydrophobicContact CD1-CB 4.16Å; Y1872-L1880 HydrophobicContact CD1-CD1 3.92Å; Y1872-L1880 HydrophobicContact CD2-CD1 4.13Å; Y1872-L1880 HydrophobicContact CE1-CB 3.94Å; Y1872-L1880 HydrophobicContact CE1-CD1 3.8Å; Y1872-L1880 HydrophobicContact CE1-CG 4.4Å; Y1872-L1880 HydrophobicContact CE2-CD1 4.02Å; Y1872-L1880 HydrophobicContact CG-CD1 4.09Å; L1880-T1882 HydrophobicContact CD2-CG2 4.31Å; L1880-T1882 HydrophobicContact CG-CG2 4.32Å; L1880-L1891 CarbonylContact O-C 3.47Å; L1880-L1891 WeakPolarHBondContact O-CA 3.35Å; L1880-W1892 HydrophobicContact CB-CB 4.25Å; L1880-W1892 PolarHBondContact N-O 3.18Å; L1880-W1892 VanDerWaalsContact O-CD1 3.3Å; L1880-W1892 PolarHBondContact O-N 3.02Å; L1880-D1894 HydrophobicContact CB-CB 4.42Å |
| 1881 | A | 85.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1870 A1871 L1889 M1890 L1891 I1931 F1933 I1941 | L1870-A1881 CarbonylContact C-O 3.53Å; L1870-A1881 VanDerWaalsContact CA-O 3.27Å; L1870-A1881 WeakPolarHBondContact CA-O 3.36Å; A1871-A1881 PolarHBondContact N-O 3.11Å; A1871-A1881 VanDerWaalsContact N-O 3.08Å; A1871-A1881 PolarHBondContact O-N 3.09Å; A1881-L1889 HydrophobicContact CB-CD1 4.49Å; A1881-M1890 CarbonylContact C-O 3.45Å; A1881-M1890 WeakPolarHBondContact CA-O 3.36Å; A1881-L1891 HydrophobicContact CB-CD2 3.62Å; A1881-I1931 HydrophobicContact CB-CD1 3.63Å; A1881-I1931 WeakPolarHBondContact O-CD1 3.29Å; A1881-F1933 HydrophobicContact CB-CE2 3.58Å; A1881-F1933 HydrophobicContact CB-CZ 3.63Å; A1881-I1941 HydrophobicContact CB-CD1 4Å |
| 1882 | T | 86.4 | Confident | 76.7 | Confident | 2.2 Ų | 2.2 | 24.6 Ų | 24.6 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.9 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | I1847 A1863 L1867 S1869 L1870 L1880 L1889 M1890 W1892 | I1847-T1882 HydrophobicContact CD1-CG2 3.36Å; I1847-T1882 VanDerWaalsContact CD1-CG2 3.45Å; A1863-T1882 HydrophobicContact CB-CG2 4.44Å; L1867-T1882 HydrophobicContact CD1-CG2 4.2Å; S1869-T1882 CarbonylContact O-C 3.49Å; S1869-T1882 WeakPolarHBondContact O-CA 3.16Å; L1870-T1882 HydrophobicContact CD1-CG2 4.08Å; L1870-T1882 HydrophobicContact CG-CG2 4.3Å; L1880-T1882 HydrophobicContact CD2-CG2 4.31Å; L1880-T1882 HydrophobicContact CG-CG2 4.32Å; T1882-L1889 CarbonylContact O-C 3.54Å; T1882-L1889 WeakPolarHBondContact O-CA 3.35Å; T1882-M1890 PolarHBondContact N-O 3.11Å; T1882-M1890 PolarHBondContact O-N 3.08Å; T1882-M1890 WeakPolarHBondContact OG1-CB 3.41Å; T1882-M1890 WeakPolarHBondContact OG1-CE 3.35Å; T1882-M1890 PolarHBondContact OG1-O 2.92Å; T1882-W1892 VanDerWaalsContact CG2-CD1 3.5Å; T1882-W1892 VanDerWaalsContact CG2-NE1 3.31Å; T1882-W1892 PolarHBondContact OG1-NE1 3.15Å |
| 1883 | F | 82.2 | Confident | 76 | Confident | 0.4 Ų | 0.4 | 24.8 Ų | 24.8 | 0% | 0.002 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.6 | -179.3 | -178.8 | -111.9 | 0 | 0 | 0 | 110.5 | L1867 C1868 S1869 E1888 L1889 I1931 Q1943 G1945 | L1867-F1883 WeakPolarHBondContact CD1-O 3.49Å; C1868-F1883 HydrophobicContact CB-CD1 3.9Å; C1868-F1883 HydrophobicContact CB-CE1 4.36Å; C1868-F1883 PolarHBondContact N-O 3.09Å; S1869-F1883 PolarHBondContact N-O 3.08Å; S1869-F1883 VanDerWaalsContact N-O 3.1Å; S1869-F1883 PolarHBondContact O-N 3.23Å; F1883-E1888 WeakPolarHBondContact CA-O 3.38Å; F1883-L1889 HydrophobicContact CB-CD1 4.34Å; F1883-L1889 HydrophobicContact CD2-CB 4.35Å; F1883-L1889 HydrophobicContact CD2-CD1 4.44Å; F1883-I1931 HydrophobicContact CB-CD1 4.14Å; F1883-I1931 HydrophobicContact CB-CG1 4.29Å; F1883-I1931 HydrophobicContact CB-CG2 3.7Å; F1883-I1931 HydrophobicContact CD1-CG2 4.39Å; F1883-I1931 HydrophobicContact CD2-CG2 4.39Å; F1883-I1931 HydrophobicContact CG-CG2 3.98Å; F1883-Q1943 HydrophobicContact CD2-CG 4.24Å; F1883-Q1943 VanDerWaalsContact CE2-CD 3.42Å; F1883-Q1943 HydrophobicContact CE2-CG 4.13Å; F1883-Q1943 VanDerWaalsContact CE2-NE2 3.25Å; F1883-Q1943 HydrophobicContact CZ-CG 4.18Å; F1883-G1945 WeakPolarHBondContact CZ-O 3.34Å |
| 1884 | N | 78.1 | Confident | 75.3 | Confident | 2.6 Ų | 2.6 | 24.7 Ų | 24.7 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 170.6 | -177.1 | 78.3 | 8.9 | 0 | 0 | 0 | 113.3 | S1864 S1866 C1868 N1886 G1887 E1888 | S1864-N1884 VanDerWaalsContact CB-ND2 3.32Å; S1864-N1884 WeakPolarHBondContact CB-ND2 3.41Å; S1864-N1884 VanDerWaalsContact OG-CB 3.29Å; S1864-N1884 WeakPolarHBondContact OG-CB 3.34Å; S1864-N1884 PolarHBondContact OG-ND2 3.17Å; S1864-N1884 VanDerWaalsContact OG-ND2 3.15Å; S1866-N1884 CarbonylContact O-C 3.56Å; S1866-N1884 VanDerWaalsContact O-CA 3.24Å; S1866-N1884 WeakPolarHBondContact O-CA 3.34Å; S1866-N1884 VanDerWaalsContact O-CB 3.24Å; S1866-N1884 WeakPolarHBondContact O-CB 3.39Å; C1868-N1884 VanDerWaalsContact SG-C 3.58Å; N1884-N1886 PolarHBondContact O-N 3.18Å; N1884-N1886 VanDerWaalsContact O-N 3.15Å; N1884-N1886 WeakPolarHBondContact OD1-CA 3.39Å; N1884-N1886 WeakPolarHBondContact OD1-CB 3.32Å; N1884-N1886 PolarHBondContact OD1-N 3.13Å; N1884-N1886 VanDerWaalsContact OD1-N 3.07Å; N1884-G1887 PolarHBondContact O-N 3.1Å; N1884-G1887 VanDerWaalsContact O-N 3.11Å; N1884-G1887 PolarHBondContact OD1-N 3.12Å; N1884-G1887 VanDerWaalsContact OD1-N 3.13Å; N1884-E1888 PolarHBondContact N-O 2.93Å; N1884-E1888 VanDerWaalsContact N-O 3.13Å; N1884-E1888 WeakPolarHBondContact ND2-CB 3.32Å; N1884-E1888 VanDerWaalsContact ND2-CD 3.31Å; N1884-E1888 PolarHBondContact ND2-OE2 2.96Å; N1884-E1888 WeakPolarHBondContact OD1-CA 3.3Å; N1884-E1888 VanDerWaalsContact OD1-CB 3.31Å; N1884-E1888 WeakPolarHBondContact OD1-CB 3.39Å; N1884-E1888 PolarHBondContact OD1-N 2.89Å |
| 1885 | K | 70.6 | Confident | 74.9 | Confident | 77.8 Ų | 77.8 | 27 Ų | 27 | 34% | 0.338 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.6 | -179.2 | 115.7 | 179.2 | 173.8 | -174.9 | 0 | 113.6 | W1843 S1866 C1868 G1887 Y1928 G1947 | W1843-K1885 HydrophobicContact CH2-CB 4.18Å; W1843-K1885 HydrophobicContact CH2-CD 4.16Å; W1843-K1885 HydrophobicContact CH2-CG 4.37Å; W1843-K1885 HydrophobicContact CZ2-CD 4.23Å; S1866-K1885 VanDerWaalsContact CB-CD 3.43Å; S1866-K1885 PolarHBondContact O-N 3.12Å; S1866-K1885 WeakPolarHBondContact OG-CD 3.24Å; S1866-K1885 VanDerWaalsContact OG-CE 3.3Å; S1866-K1885 WeakPolarHBondContact OG-CE 3.35Å; S1866-K1885 PolarHBondContact OG-NZ 3.25Å; S1866-K1885 VanDerWaalsContact OG-NZ 3.1Å; C1868-K1885 VanDerWaalsContact SG-CA 3.54Å; C1868-K1885 WeakPolarHBondContact SG-CA 3.35Å; C1868-K1885 PolarHBondContact SG-N 3.12Å; K1885-G1887 VanDerWaalsContact C-N 3.26Å; K1885-G1887 PolarHBondContact O-N 3.05Å; K1885-Y1928 HydrophobicContact CB-CD1 4.39Å; K1885-Y1928 HydrophobicContact CB-CG 4.46Å; K1885-Y1928 HydrophobicContact CD-CE1 4.37Å; K1885-Y1928 HydrophobicContact CD-CE2 3.9Å; K1885-Y1928 VanDerWaalsContact CE-CZ 3.49Å; K1885-Y1928 WeakPolarHBondContact CE-OH 3.46Å; K1885-Y1928 HydrophobicContact CG-CD1 4.12Å; K1885-Y1928 HydrophobicContact CG-CD2 4.21Å; K1885-Y1928 HydrophobicContact CG-CE1 4.05Å; K1885-Y1928 HydrophobicContact CG-CE2 4.05Å; K1885-Y1928 HydrophobicContact CG-CG 4.28Å; K1885-Y1928 PolarHBondContact NZ-OH 3.38Å; K1885-G1947 VanDerWaalsContact O-CA 3.27Å; K1885-G1947 WeakPolarHBondContact O-CA 3.4Å; K1885-G1947 PolarHBondContact O-N 2.9Å; K1885-G1947 VanDerWaalsContact O-N 3.1Å |
| 1886 | N | 66.3 | Low | 74.5 | Confident | 80.4 Ų | 80.4 | 27.9 Ų | 27.9 | 43% | 0.43 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -1.6 | -179.1 | -62 | -7.8 | 0 | 0 | 0 | 112.3 | N1884 E1888 Y1907 | N1884-N1886 PolarHBondContact O-N 3.18Å; N1884-N1886 VanDerWaalsContact O-N 3.15Å; N1884-N1886 WeakPolarHBondContact OD1-CA 3.39Å; N1884-N1886 WeakPolarHBondContact OD1-CB 3.32Å; N1884-N1886 PolarHBondContact OD1-N 3.13Å; N1884-N1886 VanDerWaalsContact OD1-N 3.07Å; N1886-E1888 VanDerWaalsContact C-N 3.29Å; N1886-E1888 HydrophobicContact CB-CG 4.2Å; N1886-E1888 PolarHBondContact O-N 3.22Å; N1886-Y1907 WeakPolarHBondContact O-CE2 3.29Å; N1886-Y1907 PolarHBondContact O-OH 3.32Å |
| 1887 | G | 67.4 | Low | 74.1 | Confident | 1.6 Ų | 1.6 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 83.9 | 13.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1884 K1885 L1889 Q1905 Y1907 | N1884-G1887 PolarHBondContact O-N 3.1Å; N1884-G1887 VanDerWaalsContact O-N 3.11Å; N1884-G1887 PolarHBondContact OD1-N 3.12Å; N1884-G1887 VanDerWaalsContact OD1-N 3.13Å; K1885-G1887 VanDerWaalsContact C-N 3.26Å; K1885-G1887 PolarHBondContact O-N 3.05Å; G1887-L1889 PolarHBondContact O-N 3.06Å; G1887-Q1905 WeakPolarHBondContact O-CB 3.45Å; G1887-Q1905 PolarHBondContact O-N 3.09Å; G1887-Y1907 WeakPolarHBondContact CA-OH 3.12Å; G1887-Y1907 PolarHBondContact N-OH 3.08Å |
| 1888 | E | 70.5 | Confident | 73.5 | Confident | 46.6 Ų | 46.6 | 35.7 Ų | 35.7 | 22% | 0.218 | 17% | 0.172 | C | C | . | . | trans | -85.9 | 122 | 178.5 | -51.9 | 170.6 | 171.1 | 0 | 0 | 109.8 | F1883 N1884 N1886 M1890 V1903 I1904 | F1883-E1888 WeakPolarHBondContact CA-O 3.38Å; N1884-E1888 PolarHBondContact N-O 2.93Å; N1884-E1888 VanDerWaalsContact N-O 3.13Å; N1884-E1888 WeakPolarHBondContact ND2-CB 3.32Å; N1884-E1888 VanDerWaalsContact ND2-CD 3.31Å; N1884-E1888 PolarHBondContact ND2-OE2 2.96Å; N1884-E1888 WeakPolarHBondContact OD1-CA 3.3Å; N1884-E1888 VanDerWaalsContact OD1-CB 3.31Å; N1884-E1888 WeakPolarHBondContact OD1-CB 3.39Å; N1884-E1888 PolarHBondContact OD1-N 2.89Å; N1886-E1888 VanDerWaalsContact C-N 3.29Å; N1886-E1888 HydrophobicContact CB-CG 4.2Å; N1886-E1888 PolarHBondContact O-N 3.22Å; E1888-M1890 HydrophobicContact CB-CE 4.1Å; E1888-M1890 WeakPolarHBondContact OE2-CE 3.34Å; E1888-V1903 WeakPolarHBondContact CA-O 3.27Å; E1888-I1904 HydrophobicContact CB-CG1 4.48Å; E1888-I1904 HydrophobicContact CG-CG1 4.37Å; E1888-I1904 HydrophobicContact CG-CG2 4.27Å | ||
| 1889 | L | 76.3 | Confident | 72.7 | Confident | 3.8 Ų | 3.8 | 36.7 Ų | 36.7 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.2 | 172.1 | -177.9 | 83 | 0 | 0 | 0 | 108.7 | A1881 T1882 F1883 G1887 L1891 G1902 V1903 I1931 I1941 W1957 L2473 | A1881-L1889 HydrophobicContact CB-CD1 4.49Å; T1882-L1889 CarbonylContact O-C 3.54Å; T1882-L1889 WeakPolarHBondContact O-CA 3.35Å; F1883-L1889 HydrophobicContact CB-CD1 4.34Å; F1883-L1889 HydrophobicContact CD2-CB 4.35Å; F1883-L1889 HydrophobicContact CD2-CD1 4.44Å; G1887-L1889 PolarHBondContact O-N 3.06Å; L1889-L1891 HydrophobicContact CD2-CD2 4.5Å; L1889-G1902 CarbonylContact O-C 3.52Å; L1889-G1902 VanDerWaalsContact O-C 3.27Å; L1889-G1902 WeakPolarHBondContact O-CA 3.38Å; L1889-V1903 WeakPolarHBondContact CA-O 3.46Å; L1889-V1903 WeakPolarHBondContact CB-O 3.31Å; L1889-V1903 HydrophobicContact CD2-CG2 4.42Å; L1889-V1903 PolarHBondContact N-O 3.11Å; L1889-V1903 VanDerWaalsContact N-O 3.17Å; L1889-V1903 PolarHBondContact O-N 2.96Å; L1889-I1931 HydrophobicContact CD1-CD1 3.98Å; L1889-I1931 HydrophobicContact CD1-CG2 3.91Å; L1889-I1941 HydrophobicContact CD1-CG2 4.29Å; L1889-I1941 HydrophobicContact CD2-CD1 4.13Å; L1889-I1941 HydrophobicContact CD2-CG2 4.35Å; L1889-W1957 HydrophobicContact CD2-CB 4.36Å; L1889-W1957 HydrophobicContact CD2-CD2 3.95Å; L1889-W1957 HydrophobicContact CD2-CE3 3.98Å; L1889-W1957 HydrophobicContact CD2-CG 3.8Å; L1889-L2473 HydrophobicContact CD2-CD1 4.45Å |
| 1890 | M | 77.7 | Confident | 71.4 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139.9 | 179.9 | -52.3 | 178 | -171.3 | 0 | 0 | 110.3 | A1863 A1881 T1882 E1888 W1892 Y1899 | A1863-M1890 HydrophobicContact CB-CE 4.16Å; A1863-M1890 WeakPolarHBondContact O-CE 3.29Å; A1863-M1890 VanDerWaalsContact O-SD 3.4Å; A1881-M1890 CarbonylContact C-O 3.45Å; A1881-M1890 WeakPolarHBondContact CA-O 3.36Å; T1882-M1890 PolarHBondContact N-O 3.11Å; T1882-M1890 PolarHBondContact O-N 3.08Å; T1882-M1890 WeakPolarHBondContact OG1-CB 3.41Å; T1882-M1890 WeakPolarHBondContact OG1-CE 3.35Å; T1882-M1890 PolarHBondContact OG1-O 2.92Å; E1888-M1890 HydrophobicContact CB-CE 4.1Å; E1888-M1890 WeakPolarHBondContact OE2-CE 3.34Å; M1890-W1892 HydrophobicContact CB-CZ2 4.06Å; M1890-W1892 HydrophobicContact CE-CH2 3.68Å; M1890-W1892 HydrophobicContact CE-CZ2 3.65Å; M1890-W1892 VanDerWaalsContact CE-CZ2 3.43Å; M1890-W1892 HydrophobicContact CG-CZ2 4.41Å; M1890-W1892 HydrophobicContact SD-CH2 4.35Å; M1890-W1892 HydrophobicContact SD-CZ2 3.72Å; M1890-W1892 VanDerWaalsContact SD-CZ2 3.57Å; M1890-Y1899 HydrophobicContact CB-CD2 4.27Å; M1890-Y1899 HydrophobicContact CB-CE2 3.86Å; M1890-Y1899 HydrophobicContact CE-CD2 3.75Å; M1890-Y1899 HydrophobicContact CE-CE2 3.57Å; M1890-Y1899 HydrophobicContact CG-CE2 3.96Å; M1890-Y1899 HydrophobicContact SD-CE2 4.26Å |
| 1891 | L | 80 | Confident | 70 | Confident | 7.4 Ų | 7.4 | 38.6 Ų | 38.6 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.2 | 176.5 | -56.7 | 178.8 | 0 | 0 | 0 | 109.5 | I1879 L1880 A1881 L1889 E1900 G1901 F1933 I1941 L2473 | I1879-L1891 HydrophobicContact CG2-CB 4.15Å; I1879-L1891 HydrophobicContact CG2-CD2 4.19Å; I1879-L1891 HydrophobicContact CG2-CG 4.49Å; L1880-L1891 CarbonylContact O-C 3.47Å; L1880-L1891 WeakPolarHBondContact O-CA 3.35Å; A1881-L1891 HydrophobicContact CB-CD2 3.62Å; L1889-L1891 HydrophobicContact CD2-CD2 4.5Å; L1891-E1900 HydrophobicContact CB-CB 4.35Å; L1891-E1900 PolarHBondContact O-N 2.95Å; L1891-E1900 VanDerWaalsContact O-N 3.1Å; L1891-G1901 WeakPolarHBondContact CA-O 3.25Å; L1891-G1901 VanDerWaalsContact CB-O 3.27Å; L1891-G1901 WeakPolarHBondContact CB-O 3.38Å; L1891-G1901 PolarHBondContact N-O 2.92Å; L1891-G1901 PolarHBondContact O-N 3.05Å; L1891-F1933 HydrophobicContact CD2-CZ 4.43Å; L1891-I1941 HydrophobicContact CD1-CD1 4.41Å; L1891-I1941 HydrophobicContact CD2-CD1 3.5Å; L1891-I1941 VanDerWaalsContact CD2-CD1 3.4Å; L1891-I1941 HydrophobicContact CG-CD1 4.5Å; L1891-L2473 HydrophobicContact CD1-CD1 3.67Å; L1891-L2473 HydrophobicContact CD1-CD2 3.74Å; L1891-L2473 HydrophobicContact CD1-CG 4.28Å; L1891-L2473 HydrophobicContact CG-CD1 3.86Å |
| 1892 | W | 77.5 | Confident | 68.5 | Low | 24.4 Ų | 24.4 | 39.2 Ų | 39.2 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.8 | -177.4 | -48.1 | 83.6 | 0 | 0 | 0 | 108.5 | L1861 A1863 I1879 L1880 T1882 M1890 D1894 W1898 Y1899 | L1861-W1892 HydrophobicContact CD1-CE3 4.36Å; L1861-W1892 HydrophobicContact CD1-CZ3 4.2Å; L1861-W1892 HydrophobicContact CD2-CD2 3.91Å; L1861-W1892 HydrophobicContact CD2-CE3 3.77Å; L1861-W1892 HydrophobicContact CD2-CG 4.41Å; L1861-W1892 HydrophobicContact CD2-CH2 4.22Å; L1861-W1892 HydrophobicContact CD2-CZ2 4.23Å; L1861-W1892 HydrophobicContact CD2-CZ3 3.96Å; L1861-W1892 HydrophobicContact CG-CZ3 4.4Å; A1863-W1892 HydrophobicContact CB-CH2 4.19Å; A1863-W1892 HydrophobicContact CB-CZ2 3.51Å; A1863-W1892 VanDerWaalsContact CB-CZ2 3.49Å; I1879-W1892 CarbonylContact C-O 3.54Å; I1879-W1892 WeakPolarHBondContact CA-O 3.31Å; L1880-W1892 HydrophobicContact CB-CB 4.25Å; L1880-W1892 PolarHBondContact N-O 3.18Å; L1880-W1892 VanDerWaalsContact O-CD1 3.3Å; L1880-W1892 PolarHBondContact O-N 3.02Å; T1882-W1892 VanDerWaalsContact CG2-CD1 3.5Å; T1882-W1892 VanDerWaalsContact CG2-NE1 3.31Å; T1882-W1892 PolarHBondContact OG1-NE1 3.15Å; M1890-W1892 HydrophobicContact CB-CZ2 4.06Å; M1890-W1892 HydrophobicContact CE-CH2 3.68Å; M1890-W1892 HydrophobicContact CE-CZ2 3.65Å; M1890-W1892 VanDerWaalsContact CE-CZ2 3.43Å; M1890-W1892 HydrophobicContact CG-CZ2 4.41Å; M1890-W1892 HydrophobicContact SD-CH2 4.35Å; M1890-W1892 HydrophobicContact SD-CZ2 3.72Å; M1890-W1892 VanDerWaalsContact SD-CZ2 3.57Å; W1892-D1894 PolarHBondContact O-N 3.08Å; W1892-W1898 WeakPolarHBondContact CA-O 3.31Å; W1892-Y1899 HydrophobicContact CH2-CD2 4.31Å; W1892-Y1899 HydrophobicContact CZ2-CD2 4.43Å; W1892-Y1899 HydrophobicContact CZ3-CD2 4.41Å |
| 1893 | N | 74.3 | Confident | 67 | Low | 24.4 Ų | 24.4 | 40.2 Ų | 40.2 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118 | 164.3 | -169 | -51.5 | 0 | 0 | 0 | 107.9 | N1878 D1895 I1896 L1897 W1898 E1900 | N1878-N1893 CarbonylContact O-C 3.43Å; N1878-N1893 WeakPolarHBondContact O-CA 3.11Å; N1893-D1895 VanDerWaalsContact C-N 3.3Å; N1893-D1895 PolarHBondContact O-N 2.87Å; N1893-D1895 WeakPolarHBondContact OD1-CA 3.04Å; N1893-D1895 VanDerWaalsContact OD1-CB 3.29Å; N1893-D1895 WeakPolarHBondContact OD1-CB 3.21Å; N1893-D1895 PolarHBondContact OD1-N 2.96Å; N1893-D1895 VanDerWaalsContact OD1-N 3.09Å; N1893-I1896 HydrophobicContact CB-CB 4.49Å; N1893-I1896 PolarHBondContact OD1-N 2.97Å; N1893-I1896 VanDerWaalsContact OD1-N 3.11Å; N1893-L1897 CarbonylContact O-C 3.49Å; N1893-L1897 WeakPolarHBondContact O-CA 3.35Å; N1893-L1897 PolarHBondContact O-N 3.13Å; N1893-W1898 VanDerWaalsContact CB-NE1 3.29Å; N1893-W1898 PolarHBondContact N-O 2.96Å; N1893-W1898 PolarHBondContact O-N 3.25Å; N1893-E1900 HydrophobicContact CB-CG 3.72Å; N1893-E1900 VanDerWaalsContact CB-OE1 3.3Å; N1893-E1900 WeakPolarHBondContact CB-OE1 3.43Å; N1893-E1900 PolarHBondContact ND2-OE1 3.12Å |
| 1894 | D | 67.7 | Low | 65.4 | Low | 1.4 Ų | 1.4 | 44.3 Ų | 44.3 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27.1 | -175.7 | -168.6 | 56.8 | 0 | 0 | 0 | 113 | R1821 F1849 R1859 Y1872 G1877 N1878 L1880 W1892 I1896 | R1821-D1894 WeakPolarHBondContact CD-OD2 3.41Å; R1821-D1894 IonicContact CZ-OD2 3.3Å; R1821-D1894 IonicContact NE-OD2 3.14Å; R1821-D1894 IonicContact NH1-OD2 3.17Å; R1821-D1894 PolarHBondContact NH1-OD2 3Å; F1849-D1894 VanDerWaalsContact CE1-OD1 3.27Å; F1849-D1894 WeakPolarHBondContact CE1-OD1 3.4Å; R1859-D1894 IonicContact CZ-OD1 3.42Å; R1859-D1894 PolarHBondContact NH1-O 2.86Å; R1859-D1894 VanDerWaalsContact NH1-O 3.13Å; R1859-D1894 PolarHBondContact NH2-O 3.07Å; R1859-D1894 IonicContact NH2-OD1 3.64Å; R1859-D1894 PolarHBondContact NH2-OD1 2.92Å; R1859-D1894 VanDerWaalsContact NH2-OD1 3.11Å; R1859-D1894 IonicContact NH2-OD2 3.42Å; R1859-D1894 PolarHBondContact NH2-OD2 3.37Å; Y1872-D1894 HydrophobicContact CE1-CB 3.97Å; Y1872-D1894 WeakPolarHBondContact CE1-OD1 2.92Å; Y1872-D1894 VanDerWaalsContact OH-CG 3.24Å; Y1872-D1894 PolarHBondContact OH-OD1 3.16Å; Y1872-D1894 PolarHBondContact OH-OD2 3.13Å; Y1872-D1894 VanDerWaalsContact OH-OD2 3.07Å; G1877-D1894 WeakPolarHBondContact O-CB 3.46Å; N1878-D1894 PolarHBondContact O-N 3.01Å; L1880-D1894 HydrophobicContact CB-CB 4.42Å; W1892-D1894 PolarHBondContact O-N 3.08Å; D1894-I1896 VanDerWaalsContact C-N 3.34Å; D1894-I1896 PolarHBondContact O-N 3.21Å |
| 1895 | D | 65.7 | Low | 64 | Low | 88.8 Ų | 88.8 | 46.4 Ų | 46.4 | 48% | 0.475 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -41.3 | 178.9 | -65.9 | -27.3 | 0 | 0 | 0 | 111.1 | R1821 N1893 | R1821-D1895 IonicContact CZ-OD1 3.01Å; R1821-D1895 VanDerWaalsContact CZ-OD1 3.27Å; R1821-D1895 IonicContact NH1-OD1 3.6Å; R1821-D1895 PolarHBondContact NH1-OD1 3.25Å; R1821-D1895 VanDerWaalsContact NH1-OD1 3.11Å; R1821-D1895 IonicContact NH2-OD1 3.12Å; R1821-D1895 PolarHBondContact NH2-OD1 3.17Å; R1821-D1895 IonicContact NH2-OD2 3.36Å; R1821-D1895 PolarHBondContact NH2-OD2 3.49Å; N1893-D1895 VanDerWaalsContact C-N 3.3Å; N1893-D1895 PolarHBondContact O-N 2.87Å; N1893-D1895 WeakPolarHBondContact OD1-CA 3.04Å; N1893-D1895 VanDerWaalsContact OD1-CB 3.29Å; N1893-D1895 WeakPolarHBondContact OD1-CB 3.21Å; N1893-D1895 PolarHBondContact OD1-N 2.96Å; N1893-D1895 VanDerWaalsContact OD1-N 3.09Å |
| 1896 | I | 61.1 | Low | 62.4 | Low | 91.4 Ų | 91.4 | 49.7 Ų | 49.7 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -16 | -174.5 | -45.1 | 171.3 | 0 | 0 | 0 | 112 | N1893 D1894 W1898 D2563 | N1893-I1896 HydrophobicContact CB-CB 4.49Å; N1893-I1896 PolarHBondContact OD1-N 2.97Å; N1893-I1896 VanDerWaalsContact OD1-N 3.11Å; D1894-I1896 VanDerWaalsContact C-N 3.34Å; D1894-I1896 PolarHBondContact O-N 3.21Å; I1896-W1898 HydrophobicContact CB-CB 4.44Å; I1896-W1898 VanDerWaalsContact CB-CD1 3.42Å; I1896-W1898 HydrophobicContact CB-CD2 4.41Å; I1896-W1898 HydrophobicContact CB-CG 4.14Å; I1896-W1898 HydrophobicContact CG2-CB 4.35Å; I1896-W1898 HydrophobicContact CG2-CD2 3.99Å; I1896-W1898 VanDerWaalsContact CG2-CD2 3.48Å; I1896-W1898 VanDerWaalsContact CG2-CE2 3.49Å; I1896-W1898 HydrophobicContact CG2-CE3 4.24Å; I1896-W1898 HydrophobicContact CG2-CG 3.91Å; I1896-W1898 HydrophobicContact CG2-CZ2 4.03Å; I1896-W1898 HydrophobicContact CG2-CZ3 4.49Å; I1896-W1898 PolarHBondContact O-N 3.11Å; I1896-W1898 VanDerWaalsContact O-N 3.13Å; I1896-W1898 PolarHBondContact O-NE1 3.45Å; I1896-D2563 HydrophobicContact CG2-CB 3.68Å |
| 1897 | L | 59.1 | Low | 61.2 | Low | 40 Ų | 40 | 51.2 Ų | 51.2 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.2 | -171.6 | -68.9 | 158.1 | 0 | 0 | 0 | 114.2 | F1849 R1859 L1861 N1893 | F1849-L1897 HydrophobicContact CE1-CD2 4.37Å; F1849-L1897 HydrophobicContact CE2-CD1 4.12Å; F1849-L1897 HydrophobicContact CE2-CD2 4.03Å; F1849-L1897 HydrophobicContact CZ-CD2 3.96Å; R1859-L1897 HydrophobicContact CB-CD1 4.19Å; R1859-L1897 VanDerWaalsContact CZ-CD1 3.41Å; R1859-L1897 VanDerWaalsContact NH1-CD1 3.3Å; L1861-L1897 HydrophobicContact CB-CD2 4.38Å; L1861-L1897 HydrophobicContact CD2-CD2 4.25Å; N1893-L1897 CarbonylContact O-C 3.49Å; N1893-L1897 WeakPolarHBondContact O-CA 3.35Å; N1893-L1897 PolarHBondContact O-N 3.13Å |
| 1898 | W | 57.4 | Low | 59.6 | Low | 128.4 Ų | 128.4 | 56.4 Ų | 56.4 | 49% | 0.486 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.2 | 175.8 | -69.4 | 14.3 | 0 | 0 | 0 | 110.1 | W1892 N1893 I1896 E1900 W1962 K2277 D2279 | W1892-W1898 WeakPolarHBondContact CA-O 3.31Å; N1893-W1898 VanDerWaalsContact CB-NE1 3.29Å; N1893-W1898 PolarHBondContact N-O 2.96Å; N1893-W1898 PolarHBondContact O-N 3.25Å; I1896-W1898 HydrophobicContact CB-CB 4.44Å; I1896-W1898 VanDerWaalsContact CB-CD1 3.42Å; I1896-W1898 HydrophobicContact CB-CD2 4.41Å; I1896-W1898 HydrophobicContact CB-CG 4.14Å; I1896-W1898 HydrophobicContact CG2-CB 4.35Å; I1896-W1898 HydrophobicContact CG2-CD2 3.99Å; I1896-W1898 VanDerWaalsContact CG2-CD2 3.48Å; I1896-W1898 VanDerWaalsContact CG2-CE2 3.49Å; I1896-W1898 HydrophobicContact CG2-CE3 4.24Å; I1896-W1898 HydrophobicContact CG2-CG 3.91Å; I1896-W1898 HydrophobicContact CG2-CZ2 4.03Å; I1896-W1898 HydrophobicContact CG2-CZ3 4.49Å; I1896-W1898 PolarHBondContact O-N 3.11Å; I1896-W1898 VanDerWaalsContact O-N 3.13Å; I1896-W1898 PolarHBondContact O-NE1 3.45Å; W1898-E1900 HydrophobicContact CD2-CG 3.95Å; W1898-E1900 VanDerWaalsContact CE2-CG 3.46Å; W1898-E1900 HydrophobicContact CG-CG 4.42Å; W1898-E1900 HydrophobicContact CH2-CG 4.27Å; W1898-E1900 HydrophobicContact CZ2-CB 4.37Å; W1898-E1900 HydrophobicContact CZ2-CG 3.65Å; W1898-E1900 PolarHBondContact NE1-OE1 2.99Å; W1898-E1900 PolarHBondContact O-N 3.02Å; W1898-E1900 VanDerWaalsContact O-N 3.11Å; W1898-W1962 AromaticContact CH2-CH2 3.99Å; W1898-W1962 HydrophobicContact CH2-CH2 3.99Å; W1898-W1962 AromaticContact CH2-CZ3 3.75Å; W1898-W1962 HydrophobicContact CH2-CZ3 3.75Å; W1898-W1962 HydrophobicContact CZ2-CH2 4.13Å; W1898-W1962 HydrophobicContact CZ2-CZ3 4.34Å; W1898-K2277 HydrophobicContact CD2-CD 4.46Å; W1898-K2277 VanDerWaalsContact CD2-NZ 3.31Å; W1898-K2277 HydrophobicContact CE3-CD 3.46Å; W1898-K2277 VanDerWaalsContact CE3-CD 3.46Å; W1898-K2277 HydrophobicContact CE3-CG 4.33Å; W1898-K2277 HydrophobicContact CH2-CD 4.07Å; W1898-K2277 HydrophobicContact CH2-CG 4.12Å; W1898-K2277 HydrophobicContact CZ3-CB 4.19Å; W1898-K2277 HydrophobicContact CZ3-CD 3.23Å; W1898-K2277 HydrophobicContact CZ3-CG 3.6Å; W1898-D2279 HydrophobicContact CH2-CB 3.95Å; W1898-D2279 HydrophobicContact CZ2-CB 4.29Å |
| 1899 | Y | 57.5 | Low | 57.6 | Low | 90.8 Ų | 90.8 | 58.9 Ų | 58.9 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 109.3 | 167.5 | 179.2 | -95.8 | 0 | 0 | 0 | 108.2 | M1890 W1892 G1901 G1902 | M1890-Y1899 HydrophobicContact CB-CD2 4.27Å; M1890-Y1899 HydrophobicContact CB-CE2 3.86Å; M1890-Y1899 HydrophobicContact CE-CD2 3.75Å; M1890-Y1899 HydrophobicContact CE-CE2 3.57Å; M1890-Y1899 HydrophobicContact CG-CE2 3.96Å; M1890-Y1899 HydrophobicContact SD-CE2 4.26Å; W1892-Y1899 HydrophobicContact CH2-CD2 4.31Å; W1892-Y1899 HydrophobicContact CZ2-CD2 4.43Å; W1892-Y1899 HydrophobicContact CZ3-CD2 4.41Å; Y1899-G1901 VanDerWaalsContact CE1-C 3.47Å; Y1899-G1901 VanDerWaalsContact CE1-CA 3.44Å; Y1899-G1901 WeakPolarHBondContact CE2-O 3.23Å; Y1899-G1901 VanDerWaalsContact CZ-C 3.45Å; Y1899-G1901 VanDerWaalsContact CZ-O 3.31Å; Y1899-G1901 PolarHBondContact O-N 3.19Å; Y1899-G1902 VanDerWaalsContact CZ-N 3.29Å; Y1899-G1902 VanDerWaalsContact OH-C 3.3Å; Y1899-G1902 VanDerWaalsContact OH-CA 3.24Å; Y1899-G1902 WeakPolarHBondContact OH-CA 3.2Å; Y1899-G1902 PolarHBondContact OH-N 3.12Å; Y1899-G1902 PolarHBondContact OH-O 3.19Å; Y1899-G1902 VanDerWaalsContact OH-O 3.09Å |
| 1900 | E | 53.3 | Low | 55.5 | Low | 65.2 Ų | 65.2 | 68.4 Ų | 68.4 | 31% | 0.305 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -31.3 | 176.6 | -71.4 | -154.1 | 152.2 | 0 | 0 | 111 | L1891 N1893 W1898 W1962 | L1891-E1900 HydrophobicContact CB-CB 4.35Å; L1891-E1900 PolarHBondContact O-N 2.95Å; L1891-E1900 VanDerWaalsContact O-N 3.1Å; N1893-E1900 HydrophobicContact CB-CG 3.72Å; N1893-E1900 VanDerWaalsContact CB-OE1 3.3Å; N1893-E1900 WeakPolarHBondContact CB-OE1 3.43Å; N1893-E1900 PolarHBondContact ND2-OE1 3.12Å; W1898-E1900 HydrophobicContact CD2-CG 3.95Å; W1898-E1900 VanDerWaalsContact CE2-CG 3.46Å; W1898-E1900 HydrophobicContact CG-CG 4.42Å; W1898-E1900 HydrophobicContact CH2-CG 4.27Å; W1898-E1900 HydrophobicContact CZ2-CB 4.37Å; W1898-E1900 HydrophobicContact CZ2-CG 3.65Å; W1898-E1900 PolarHBondContact NE1-OE1 2.99Å; W1898-E1900 PolarHBondContact O-N 3.02Å; W1898-E1900 VanDerWaalsContact O-N 3.11Å; E1900-W1962 HydrophobicContact CB-CH2 4.14Å; E1900-W1962 HydrophobicContact CB-CZ2 4.31Å; E1900-W1962 HydrophobicContact CB-CZ3 3.88Å; E1900-W1962 HydrophobicContact CG-CH2 4.25Å; E1900-W1962 HydrophobicContact CG-CZ3 4.37Å; E1900-W1962 WeakPolarHBondContact O-CH2 3.33Å; E1900-W1962 WeakPolarHBondContact O-CZ3 3.39Å |
| 1901 | G | 56 | Low | 53.4 | Low | 7.8 Ų | 7.8 | 71.1 Ų | 71.1 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1891 Y1899 | L1891-G1901 WeakPolarHBondContact CA-O 3.25Å; L1891-G1901 VanDerWaalsContact CB-O 3.27Å; L1891-G1901 WeakPolarHBondContact CB-O 3.38Å; L1891-G1901 PolarHBondContact N-O 2.92Å; L1891-G1901 PolarHBondContact O-N 3.05Å; Y1899-G1901 VanDerWaalsContact CE1-C 3.47Å; Y1899-G1901 VanDerWaalsContact CE1-CA 3.44Å; Y1899-G1901 WeakPolarHBondContact CE2-O 3.23Å; Y1899-G1901 VanDerWaalsContact CZ-C 3.45Å; Y1899-G1901 VanDerWaalsContact CZ-O 3.31Å; Y1899-G1901 PolarHBondContact O-N 3.19Å |
| 1902 | G | 53.8 | Low | 51 | Low | 11.6 Ų | 11.6 | 75.6 Ų | 75.6 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | 155 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110 | L1889 Y1899 N2471 | L1889-G1902 CarbonylContact O-C 3.52Å; L1889-G1902 VanDerWaalsContact O-C 3.27Å; L1889-G1902 WeakPolarHBondContact O-CA 3.38Å; Y1899-G1902 VanDerWaalsContact CZ-N 3.29Å; Y1899-G1902 VanDerWaalsContact OH-C 3.3Å; Y1899-G1902 VanDerWaalsContact OH-CA 3.24Å; Y1899-G1902 WeakPolarHBondContact OH-CA 3.2Å; Y1899-G1902 PolarHBondContact OH-N 3.12Å; Y1899-G1902 PolarHBondContact OH-O 3.19Å; Y1899-G1902 VanDerWaalsContact OH-O 3.09Å; G1902-N2471 PolarHBondContact N-O 2.79Å |
| 1903 | V | 55.4 | Low | 48.7 | Very low | 23.6 Ų | 23.6 | 82.3 Ų | 82.3 | 14% | 0.143 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | E1888 L1889 W1957 W1962 I2472 L2473 | E1888-V1903 WeakPolarHBondContact CA-O 3.27Å; L1889-V1903 WeakPolarHBondContact CA-O 3.46Å; L1889-V1903 WeakPolarHBondContact CB-O 3.31Å; L1889-V1903 HydrophobicContact CD2-CG2 4.42Å; L1889-V1903 PolarHBondContact N-O 3.11Å; L1889-V1903 VanDerWaalsContact N-O 3.17Å; L1889-V1903 PolarHBondContact O-N 2.96Å; V1903-W1957 HydrophobicContact CB-CE3 4.12Å; V1903-W1957 HydrophobicContact CB-CH2 4.22Å; V1903-W1957 HydrophobicContact CB-CZ3 3.87Å; V1903-W1957 VanDerWaalsContact CB-CZ3 3.45Å; V1903-W1957 HydrophobicContact CG1-CE3 3.55Å; V1903-W1957 HydrophobicContact CG1-CH2 4.07Å; V1903-W1957 HydrophobicContact CG1-CZ3 3.74Å; V1903-W1957 HydrophobicContact CG2-CE3 4.18Å; V1903-W1957 HydrophobicContact CG2-CH2 4.16Å; V1903-W1957 HydrophobicContact CG2-CZ3 3.96Å; V1903-W1962 WeakPolarHBondContact CG2-O 3.16Å; V1903-I2472 HydrophobicContact CG2-CG2 4.34Å; V1903-L2473 HydrophobicContact CG2-CB 4.09Å; V1903-L2473 HydrophobicContact CG2-CD1 4.46Å; V1903-L2473 HydrophobicContact CG2-CG 4.48Å |
| 1904 | I | 48.8 | Very low | 46.6 | Very low | 86.8 Ų | 86.8 | 91.2 Ų | 91.2 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | trans | -89 | 120.3 | 167.5 | -56.4 | 171 | 0 | 0 | 0 | 105.5 | E1888 E1906 A2438 | E1888-I1904 HydrophobicContact CB-CG1 4.48Å; E1888-I1904 HydrophobicContact CG-CG1 4.37Å; E1888-I1904 HydrophobicContact CG-CG2 4.27Å; I1904-E1906 HydrophobicContact CG2-CB 4.38Å; I1904-E1906 HydrophobicContact CG2-CG 4.33Å; I1904-E1906 PolarHBondContact O-N 3.25Å; I1904-A2438 HydrophobicContact CB-CB 4.26Å; I1904-A2438 HydrophobicContact CD1-CB 3.78Å; I1904-A2438 HydrophobicContact CG1-CB 3.93Å | ||
| 1905 | Q | 46.8 | Very low | 44.7 | Very low | 45.4 Ų | 45.4 | 100 Ų | 100 | 21% | 0.212 | 49% | 0.494 | C | S | . | . | trans | -71.3 | 94 | 169 | -162.4 | 170.6 | 9.6 | 0 | 0 | 107.6 | G1887 Y1907 G1946 N1955 W1957 | G1887-Q1905 WeakPolarHBondContact O-CB 3.45Å; G1887-Q1905 PolarHBondContact O-N 3.09Å; Q1905-Y1907 HydrophobicContact CB-CD2 4.31Å; Q1905-Y1907 HydrophobicContact CB-CE2 4.16Å; Q1905-Y1907 HydrophobicContact CG-CD2 3.88Å; Q1905-Y1907 HydrophobicContact CG-CE1 4.48Å; Q1905-Y1907 HydrophobicContact CG-CE2 3.66Å; Q1905-Y1907 PolarHBondContact NE2-OH 3.16Å; Q1905-Y1907 WeakPolarHBondContact O-CD2 3.2Å; Q1905-Y1907 PolarHBondContact O-N 3.13Å; Q1905-Y1907 VanDerWaalsContact O-N 3.1Å; Q1905-Y1907 PolarHBondContact OE1-OH 2.86Å; Q1905-G1946 PolarHBondContact OE1-O 2.92Å; Q1905-N1955 PolarHBondContact NE2-ND2 2.92Å; Q1905-W1957 HydrophobicContact CB-CH2 4.39Å | ||
| 1906 | E | 38.4 | Very low | 43 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | trans | -66.8 | 106.4 | 177.2 | -129.9 | -179.6 | -170.1 | 0 | 0 | 108.9 | I1904 | I1904-E1906 HydrophobicContact CG2-CB 4.38Å; I1904-E1906 HydrophobicContact CG2-CG 4.33Å; I1904-E1906 PolarHBondContact O-N 3.25Å | ||
| 1907 | Y | 40.9 | Very low | 41.6 | Very low | 113.2 Ų | 113.2 | 107.6 Ų | 107.6 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | trans | -94.3 | 121.3 | 170 | -75.4 | -77.2 | 0 | 0 | 0 | 109.8 | N1886 G1887 Q1905 C1909 G1947 F1949 L1950 N1951 | N1886-Y1907 WeakPolarHBondContact O-CE2 3.29Å; N1886-Y1907 PolarHBondContact O-OH 3.32Å; G1887-Y1907 WeakPolarHBondContact CA-OH 3.12Å; G1887-Y1907 PolarHBondContact N-OH 3.08Å; Q1905-Y1907 HydrophobicContact CB-CD2 4.31Å; Q1905-Y1907 HydrophobicContact CB-CE2 4.16Å; Q1905-Y1907 HydrophobicContact CG-CD2 3.88Å; Q1905-Y1907 HydrophobicContact CG-CE1 4.48Å; Q1905-Y1907 HydrophobicContact CG-CE2 3.66Å; Q1905-Y1907 PolarHBondContact NE2-OH 3.16Å; Q1905-Y1907 WeakPolarHBondContact O-CD2 3.2Å; Q1905-Y1907 PolarHBondContact O-N 3.13Å; Q1905-Y1907 VanDerWaalsContact O-N 3.1Å; Q1905-Y1907 PolarHBondContact OE1-OH 2.86Å; Y1907-C1909 VanDerWaalsContact C-N 3.33Å; Y1907-C1909 PolarHBondContact O-N 3.22Å; Y1907-C1909 VanDerWaalsContact O-N 3.13Å; Y1907-G1947 WeakPolarHBondContact OH-CA 3.47Å; Y1907-F1949 HydrophobicContact CD1-CD2 4.18Å; Y1907-F1949 AromaticContact CE1-CD2 3.7Å; Y1907-F1949 HydrophobicContact CE1-CD2 3.7Å; Y1907-F1949 AromaticContact CE1-CE2 3.94Å; Y1907-F1949 HydrophobicContact CE1-CE2 3.94Å; Y1907-F1949 AromaticContact CZ-CD2 3.68Å; Y1907-F1949 VanDerWaalsContact OH-CD2 3.23Å; Y1907-F1949 WeakPolarHBondContact OH-CD2 3.31Å; Y1907-L1950 WeakPolarHBondContact OH-CD1 3.23Å; Y1907-L1950 WeakPolarHBondContact OH-CG 3.37Å; Y1907-N1951 PolarHBondContact OH-ND2 2.91Å | ||
| 1908 | S | 32.6 | Very low | 40.3 | Very low | 109.4 Ų | 109.4 | 112.6 Ų | 112.6 | 77% | 0.765 | 55% | 0.554 | S | S | * | * | trans | -77.9 | 92.2 | 159.9 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | Y1910 | S1908-Y1910 WeakPolarHBondContact O-CD2 3.34Å; S1908-Y1910 PolarHBondContact O-N 3.22Å; S1908-Y1910 VanDerWaalsContact O-N 3.1Å | ||
| 1909 | C | 29.5 | Very low | 39.2 | Very low | 100.2 Ų | 100.2 | 113.5 Ų | 113.5 | 68% | 0.677 | 56% | 0.564 | S | S | * | * | trans | -116 | 107.6 | 170.9 | -149.1 | 0 | 0 | 0 | 0 | 112 | Y1907 S1911 | Y1907-C1909 VanDerWaalsContact C-N 3.33Å; Y1907-C1909 PolarHBondContact O-N 3.22Å; Y1907-C1909 VanDerWaalsContact O-N 3.13Å; C1909-S1911 PolarHBondContact O-N 3.11Å; C1909-S1911 VanDerWaalsContact O-N 3.13Å | ||
| 1910 | Y | 32.6 | Very low | 38 | Very low | 203.6 Ų | 203.6 | 114.9 Ų | 114.9 | 80% | 0.798 | 58% | 0.581 | S | S | * | * | trans | -93.8 | 96.3 | 165.5 | -69 | -84.6 | 0 | 0 | 0 | 109.5 | S1908 S1912 Q2078 T2080 | S1908-Y1910 WeakPolarHBondContact O-CD2 3.34Å; S1908-Y1910 PolarHBondContact O-N 3.22Å; S1908-Y1910 VanDerWaalsContact O-N 3.1Å; Y1910-S1912 PolarHBondContact O-N 3.16Å; Y1910-S1912 VanDerWaalsContact O-N 3.16Å; Y1910-Q2078 PolarHBondContact OH-O 3.48Å; Y1910-T2080 PolarHBondContact OH-N 2.98Å; Y1910-T2080 PolarHBondContact OH-OG1 3.47Å | ||
| 1911 | S | 32.8 | Very low | 37.3 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 58% | 0.58 | 60% | 0.597 | S | S | * | * | trans | -126.9 | 87.6 | 157.9 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | C1909 E1913 F1949 | C1909-S1911 PolarHBondContact O-N 3.11Å; C1909-S1911 VanDerWaalsContact O-N 3.13Å; S1911-E1913 PolarHBondContact O-N 3.13Å; S1911-F1949 WeakPolarHBondContact OG-CZ 3.5Å | ||
| 1912 | S | 30.2 | Very low | 36.7 | Very low | 101.6 Ų | 101.6 | 122.7 Ų | 122.7 | 71% | 0.71 | 63% | 0.628 | S | S | * | * | trans | -71.8 | 76.4 | 160.2 | 38.7 | 0 | 0 | 0 | 0 | 109.3 | Y1910 Y1914 | Y1910-S1912 PolarHBondContact O-N 3.16Å; Y1910-S1912 VanDerWaalsContact O-N 3.16Å; S1912-Y1914 PolarHBondContact O-N 2.98Å | ||
| 1913 | E | 29.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 64% | 0.64 | S | S | * | * | trans | -86.9 | 75.9 | -175.7 | -66.9 | -174.5 | 166 | 0 | 0 | 113.1 | S1911 F1915 | S1911-E1913 PolarHBondContact O-N 3.13Å; E1913-F1915 PolarHBondContact O-N 3.07Å; E1913-F1915 VanDerWaalsContact O-N 3.15Å | ||
| 1914 | Y | 29.9 | Very low | 36.6 | Very low | 211.2 Ų | 211.2 | 125.6 Ų | 125.6 | 83% | 0.828 | 64% | 0.639 | S | S | * | * | trans | -97.3 | 76.3 | 177.1 | -90.4 | -85.4 | 0 | 0 | 0 | 112.8 | S1912 L1916 | S1912-Y1914 PolarHBondContact O-N 2.98Å; Y1914-L1916 PolarHBondContact O-N 2.91Å | ||
| 1915 | F | 28.5 | Very low | 36.9 | Very low | 186.4 Ų | 186.4 | 121.9 Ų | 121.9 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -112.4 | 114.5 | 155.6 | -82.2 | -81.6 | 0 | 0 | 0 | 109.8 | E1913 F1917 | E1913-F1915 PolarHBondContact O-N 3.07Å; E1913-F1915 VanDerWaalsContact O-N 3.15Å; F1915-F1917 PolarHBondContact O-N 3.24Å; F1915-F1917 VanDerWaalsContact O-N 3.15Å | ||
| 1916 | L | 29.1 | Very low | 37.4 | Very low | 162.4 Ų | 162.4 | 120.1 Ų | 120.1 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -83 | 37.6 | 178.7 | -158.3 | 98.1 | 0 | 0 | 0 | 112 | Y1914 | Y1914-L1916 PolarHBondContact O-N 2.91Š| ||
| 1917 | F | 31.8 | Very low | 38.4 | Very low | 176.8 Ų | 176.8 | 115.4 Ų | 115.4 | 78% | 0.775 | 59% | 0.59 | S | S | * | * | trans | -121.3 | 65.9 | 177 | -82.4 | -74.4 | 0 | 0 | 0 | 112.6 | F1915 Q1919 | F1915-F1917 PolarHBondContact O-N 3.24Å; F1915-F1917 VanDerWaalsContact O-N 3.15Å; F1917-Q1919 HydrophobicContact CB-CB 4.41Å; F1917-Q1919 HydrophobicContact CB-CG 4.2Å; F1917-Q1919 PolarHBondContact O-N 3.27Å | ||
| 1918 | D | 31.5 | Very low | 39.4 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 78% | 0.775 | 58% | 0.579 | S | S | * | * | trans | -76.7 | 66.8 | 163.9 | -111.8 | -13.1 | 0 | 0 | 0 | 110.4 | T1920 | D1918-T1920 PolarHBondContact O-N 3.16Å; D1918-T1920 PolarHBondContact O-OG1 3.23Å | ||
| 1919 | Q | 34.6 | Very low | 41.2 | Very low | 148.4 Ų | 148.4 | 107.5 Ų | 107.5 | 69% | 0.693 | 54% | 0.544 | S | S | * | . | trans | -83.6 | 53.4 | 167.6 | -77.2 | -174.6 | -8.3 | 0 | 0 | 110 | F1917 D1921 V1922 | F1917-Q1919 HydrophobicContact CB-CB 4.41Å; F1917-Q1919 HydrophobicContact CB-CG 4.2Å; F1917-Q1919 PolarHBondContact O-N 3.27Å; Q1919-D1921 PolarHBondContact O-N 3.15Å; Q1919-V1922 WeakPolarHBondContact O-CG2 3.27Å | ||
| 1920 | T | 33.1 | Very low | 43.3 | Very low | 119.4 Ų | 119.4 | 104.3 Ų | 104.3 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | trans | -72 | 13.5 | 169.2 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | D1918 V1922 | D1918-T1920 PolarHBondContact O-N 3.16Å; D1918-T1920 PolarHBondContact O-OG1 3.23Å; T1920-V1922 WeakPolarHBondContact O-CG2 3.27Å; T1920-V1922 PolarHBondContact O-N 2.92Å | ||
| 1921 | D | 37.9 | Very low | 45.7 | Very low | 119.4 Ų | 119.4 | 95 Ų | 95 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | trans | -85.8 | 77.1 | 166.6 | -76.2 | -11.6 | 0 | 0 | 0 | 108.6 | Q1919 L1923 | Q1919-D1921 PolarHBondContact O-N 3.15Å; D1921-L1923 PolarHBondContact O-N 3.1Å | ||
| 1922 | V | 44.2 | Very low | 47.8 | Very low | 118 Ų | 118 | 92.7 Ų | 92.7 | 72% | 0.715 | 47% | 0.466 | S | S | * | . | trans | -51.6 | 83.9 | 171 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | Q1919 T1920 I1924 | Q1919-V1922 WeakPolarHBondContact O-CG2 3.27Å; T1920-V1922 WeakPolarHBondContact O-CG2 3.27Å; T1920-V1922 PolarHBondContact O-N 2.92Å; V1922-I1924 PolarHBondContact O-N 2.94Å | ||
| 1923 | L | 49.4 | Very low | 50.2 | Low | 73 Ų | 73 | 88.4 Ų | 88.4 | 38% | 0.382 | 43% | 0.434 | S | S | . | . | trans | -58.1 | 127.4 | 173.8 | -68.5 | 165.1 | 0 | 0 | 0 | 108.8 | D1921 Q1927 Y1928 L1950 | D1921-L1923 PolarHBondContact O-N 3.1Å; L1923-Q1927 VanDerWaalsContact CB-OE1 3.32Å; L1923-Q1927 HydrophobicContact CD2-CB 4.29Å; L1923-Y1928 HydrophobicContact CB-CE2 4.3Å; L1923-Y1928 HydrophobicContact CD1-CE1 4.32Å; L1923-L1950 HydrophobicContact CD1-CD1 4.3Å | ||
| 1924 | I | 56.2 | Low | 52.2 | Low | 22.4 Ų | 22.4 | 81 Ų | 81 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | trans | -68.2 | 136.8 | -179.7 | -62.2 | 167.4 | 0 | 0 | 0 | 108 | E1717 C1756 T1758 L1774 V1922 N1926 Q1927 | E1717-I1924 VanDerWaalsContact CD-CD1 3.48Å; E1717-I1924 HydrophobicContact CG-CD1 3.71Å; E1717-I1924 VanDerWaalsContact OE1-CD1 3.25Å; E1717-I1924 WeakPolarHBondContact OE1-CD1 3.35Å; C1756-I1924 HydrophobicContact CB-CD1 4.42Å; T1758-I1924 HydrophobicContact CG2-CG2 4.2Å; L1774-I1924 HydrophobicContact CD1-CD1 4.47Å; L1774-I1924 HydrophobicContact CD1-CG1 4.39Å; V1922-I1924 PolarHBondContact O-N 2.94Å; I1924-N1926 VanDerWaalsContact CB-OD1 3.23Å; I1924-N1926 WeakPolarHBondContact CB-OD1 3.38Å; I1924-N1926 HydrophobicContact CG2-CB 4.32Å; I1924-N1926 WeakPolarHBondContact CG2-OD1 3.42Å; I1924-N1926 PolarHBondContact O-N 3.26Å; I1924-N1926 PolarHBondContact O-OD1 2.97Å; I1924-N1926 VanDerWaalsContact O-OD1 3.13Å; I1924-Q1927 HydrophobicContact CB-CG 4.38Å; I1924-Q1927 VanDerWaalsContact O-CB 3.31Å; I1924-Q1927 WeakPolarHBondContact O-CB 3.4Å; I1924-Q1927 WeakPolarHBondContact O-CG 3.4Å; I1924-Q1927 PolarHBondContact O-N 3.12Å | ||
| 1925 | P | 55 | Low | 54 | Low | 9.6 Ų | 9.6 | 75 Ų | 75 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -48 | -34.5 | -175.1 | -25.8 | 27.9 | 0 | 0 | 0 | 115.5 | V1816 W1843 C1868 Q1927 Y1928 | V1816-P1925 HydrophobicContact CB-CB 4.38Å; V1816-P1925 HydrophobicContact CB-CG 4.43Å; V1816-P1925 HydrophobicContact CG1-CB 3.79Å; V1816-P1925 HydrophobicContact CG1-CG 4.21Å; V1816-P1925 HydrophobicContact CG2-CB 3.96Å; V1816-P1925 HydrophobicContact CG2-CG 3.95Å; W1843-P1925 HydrophobicContact CB-CG 4.44Å; W1843-P1925 HydrophobicContact CD2-CB 4.16Å; W1843-P1925 HydrophobicContact CD2-CG 4.03Å; W1843-P1925 HydrophobicContact CE3-CB 3.49Å; W1843-P1925 VanDerWaalsContact CE3-CB 3.44Å; W1843-P1925 HydrophobicContact CE3-CG 3.41Å; W1843-P1925 HydrophobicContact CG-CG 4.21Å; W1843-P1925 HydrophobicContact CH2-CB 4.06Å; W1843-P1925 HydrophobicContact CH2-CG 4.21Å; W1843-P1925 HydrophobicContact CZ2-CB 4.13Å; W1843-P1925 VanDerWaalsContact CZ3-CA 3.49Å; W1843-P1925 HydrophobicContact CZ3-CB 3.45Å; W1843-P1925 VanDerWaalsContact CZ3-CB 3.41Å; W1843-P1925 HydrophobicContact CZ3-CG 3.67Å; C1868-P1925 PolarHBondContact SG-O 2.93Å; P1925-Q1927 VanDerWaalsContact C-N 3.31Å; P1925-Q1927 PolarHBondContact O-N 3.17Å; P1925-Q1927 VanDerWaalsContact O-N 3.08Å; P1925-Y1928 WeakPolarHBondContact O-CB 3.18Å; P1925-Y1928 WeakPolarHBondContact O-CD2 3.35Å; P1925-Y1928 PolarHBondContact O-N 2.9Å; P1925-Y1928 VanDerWaalsContact O-N 3.13Å |
| 1926 | N | 57.5 | Low | 55.4 | Low | 6.6 Ų | 6.6 | 70.4 Ų | 70.4 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -66.7 | -19.9 | -179.4 | -53.4 | -0.7 | 0 | 0 | 0 | 113.4 | Q1685 T1758 V1816 C1868 I1924 Y1928 G1929 K1930 | Q1685-N1926 PolarHBondContact OE1-ND2 2.73Å; T1758-N1926 PolarHBondContact O-ND2 2.98Å; V1816-N1926 VanDerWaalsContact CG1-OD1 3.23Å; V1816-N1926 WeakPolarHBondContact CG1-OD1 3.32Å; V1816-N1926 PolarHBondContact O-ND2 2.84Å; V1816-N1926 VanDerWaalsContact O-ND2 3.17Å; V1816-N1926 PolarHBondContact O-OD1 2.87Å; C1868-N1926 PolarHBondContact O-OD1 3.1Å; I1924-N1926 VanDerWaalsContact CB-OD1 3.23Å; I1924-N1926 WeakPolarHBondContact CB-OD1 3.38Å; I1924-N1926 HydrophobicContact CG2-CB 4.32Å; I1924-N1926 WeakPolarHBondContact CG2-OD1 3.42Å; I1924-N1926 PolarHBondContact O-N 3.26Å; I1924-N1926 PolarHBondContact O-OD1 2.97Å; I1924-N1926 VanDerWaalsContact O-OD1 3.13Å; N1926-Y1928 VanDerWaalsContact C-N 3.25Å; N1926-Y1928 PolarHBondContact O-N 3.16Å; N1926-G1929 WeakPolarHBondContact O-CA 3.42Å; N1926-G1929 PolarHBondContact O-N 3.39Å; N1926-K1930 VanDerWaalsContact OD1-CE 3.27Å; N1926-K1930 WeakPolarHBondContact OD1-CE 3.44Å; N1926-K1930 PolarHBondContact OD1-NZ 2.81Å |
| 1927 | Q | 59.9 | Low | 57.1 | Low | 47.8 Ų | 47.8 | 66.3 Ų | 66.3 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -72.1 | -17.8 | 176.1 | -63.5 | 177.2 | -7.6 | 0 | 0 | 112.9 | E1717 L1923 I1924 P1925 G1929 L1950 | E1717-Q1927 PolarHBondContact OE1-NE2 2.99Å; L1923-Q1927 VanDerWaalsContact CB-OE1 3.32Å; L1923-Q1927 HydrophobicContact CD2-CB 4.29Å; I1924-Q1927 HydrophobicContact CB-CG 4.38Å; I1924-Q1927 VanDerWaalsContact O-CB 3.31Å; I1924-Q1927 WeakPolarHBondContact O-CB 3.4Å; I1924-Q1927 WeakPolarHBondContact O-CG 3.4Å; I1924-Q1927 PolarHBondContact O-N 3.12Å; P1925-Q1927 VanDerWaalsContact C-N 3.31Å; P1925-Q1927 PolarHBondContact O-N 3.17Å; P1925-Q1927 VanDerWaalsContact O-N 3.08Å; Q1927-G1929 VanDerWaalsContact C-N 3.31Å; Q1927-G1929 PolarHBondContact O-N 2.92Å; Q1927-L1950 VanDerWaalsContact O-CD2 3.25Å; Q1927-L1950 WeakPolarHBondContact O-CD2 3.35Å |
| 1928 | Y | 62.5 | Low | 58.8 | Low | 55.4 Ų | 55.4 | 58.1 Ų | 58.1 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -77.6 | -15.8 | 173.6 | -68.5 | -78.7 | 0 | 0 | 0 | 113.1 | W1843 C1868 K1885 L1923 P1925 N1926 G1945 G1946 G1947 | W1843-Y1928 AromaticContact CH2-CD2 3.67Å; W1843-Y1928 HydrophobicContact CH2-CD2 3.78Å; W1843-Y1928 AromaticContact CH2-CE2 3.69Å; W1843-Y1928 HydrophobicContact CH2-CE2 3.69Å; W1843-Y1928 HydrophobicContact CH2-CG 4.32Å; W1843-Y1928 HydrophobicContact CZ2-CE2 4.34Å; W1843-Y1928 HydrophobicContact CZ3-CD2 4.21Å; W1843-Y1928 HydrophobicContact CZ3-CE2 4.33Å; C1868-Y1928 VanDerWaalsContact SG-CB 3.52Å; C1868-Y1928 WeakPolarHBondContact SG-CB 3.2Å; K1885-Y1928 HydrophobicContact CB-CD1 4.39Å; K1885-Y1928 HydrophobicContact CB-CG 4.46Å; K1885-Y1928 HydrophobicContact CD-CE1 4.37Å; K1885-Y1928 HydrophobicContact CD-CE2 3.9Å; K1885-Y1928 VanDerWaalsContact CE-CZ 3.49Å; K1885-Y1928 WeakPolarHBondContact CE-OH 3.46Å; K1885-Y1928 HydrophobicContact CG-CD1 4.12Å; K1885-Y1928 HydrophobicContact CG-CD2 4.21Å; K1885-Y1928 HydrophobicContact CG-CE1 4.05Å; K1885-Y1928 HydrophobicContact CG-CE2 4.05Å; K1885-Y1928 HydrophobicContact CG-CG 4.28Å; K1885-Y1928 PolarHBondContact NZ-OH 3.38Å; L1923-Y1928 HydrophobicContact CB-CE2 4.3Å; L1923-Y1928 HydrophobicContact CD1-CE1 4.32Å; P1925-Y1928 WeakPolarHBondContact O-CB 3.18Å; P1925-Y1928 WeakPolarHBondContact O-CD2 3.35Å; P1925-Y1928 PolarHBondContact O-N 2.9Å; P1925-Y1928 VanDerWaalsContact O-N 3.13Å; N1926-Y1928 VanDerWaalsContact C-N 3.25Å; N1926-Y1928 PolarHBondContact O-N 3.16Å; Y1928-G1945 CarbonylContact O-C 3.57Å; Y1928-G1946 VanDerWaalsContact O-CA 3.31Å; Y1928-G1946 WeakPolarHBondContact O-CA 3.39Å; Y1928-G1946 PolarHBondContact O-N 3.21Å; Y1928-G1946 VanDerWaalsContact O-N 3.11Å; Y1928-G1947 WeakPolarHBondContact CD1-O 3.42Å |
| 1929 | G | 69.4 | Low | 60.7 | Low | 2.2 Ų | 2.2 | 52.4 Ų | 52.4 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | trans | 134.7 | 153.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1926 Q1927 S1944 | N1926-G1929 WeakPolarHBondContact O-CA 3.42Å; N1926-G1929 PolarHBondContact O-N 3.39Å; Q1927-G1929 VanDerWaalsContact C-N 3.31Å; Q1927-G1929 PolarHBondContact O-N 2.92Å; G1929-S1944 CarbonylContact C-O 3.52Å; G1929-S1944 WeakPolarHBondContact CA-O 3.39Å | ||
| 1930 | K | 74.6 | Confident | 62.5 | Low | 32.8 Ų | 32.8 | 46.8 Ų | 46.8 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | trans | -122.9 | 148.7 | 178.7 | -108.6 | -142.3 | -174.9 | 179.6 | 0 | 110.6 | Q1685 S1686 V1816 S1869 N1926 Q1943 S1944 L2490 | Q1685-K1930 PolarHBondContact O-NZ 3.19Å; Q1685-K1930 VanDerWaalsContact O-NZ 3.14Å; S1686-K1930 VanDerWaalsContact CB-NZ 3.31Å; S1686-K1930 PolarHBondContact OG-NZ 3.09Å; S1686-K1930 VanDerWaalsContact OG-NZ 3.1Å; V1816-K1930 PolarHBondContact O-NZ 2.98Å; S1869-K1930 WeakPolarHBondContact OG-CD 3.39Å; S1869-K1930 WeakPolarHBondContact OG-CG 3.13Å; N1926-K1930 VanDerWaalsContact OD1-CE 3.27Å; N1926-K1930 WeakPolarHBondContact OD1-CE 3.44Å; N1926-K1930 PolarHBondContact OD1-NZ 2.81Å; K1930-Q1943 CarbonylContact O-C 3.49Å; K1930-Q1943 WeakPolarHBondContact O-CA 3.43Å; K1930-S1944 PolarHBondContact N-O 3.33Å; K1930-S1944 PolarHBondContact N-OG 3.09Å; K1930-S1944 VanDerWaalsContact N-OG 3.07Å; K1930-S1944 PolarHBondContact O-N 3.16Å; K1930-S1944 PolarHBondContact O-OG 2.96Å; K1930-S1944 VanDerWaalsContact O-OG 3.1Å; K1930-L2490 HydrophobicContact CB-CB 4.48Å; K1930-L2490 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1931 | I | 81.6 | Confident | 64.5 | Low | 9.6 Ų | 9.6 | 41.2 Ų | 41.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.3 | 174.5 | 60.2 | 168.3 | 0 | 0 | 0 | 111.5 | S1869 A1871 A1881 F1883 L1889 I1941 F1942 Q1943 | S1869-I1931 VanDerWaalsContact OG-CG1 3.24Å; S1869-I1931 WeakPolarHBondContact OG-CG1 3.38Å; S1869-I1931 PolarHBondContact OG-N 3.08Å; S1869-I1931 VanDerWaalsContact OG-N 3.1Å; A1871-I1931 HydrophobicContact CB-CD1 4.41Å; A1871-I1931 HydrophobicContact CB-CG1 4.31Å; A1881-I1931 HydrophobicContact CB-CD1 3.63Å; A1881-I1931 WeakPolarHBondContact O-CD1 3.29Å; F1883-I1931 HydrophobicContact CB-CD1 4.14Å; F1883-I1931 HydrophobicContact CB-CG1 4.29Å; F1883-I1931 HydrophobicContact CB-CG2 3.7Å; F1883-I1931 HydrophobicContact CD1-CG2 4.39Å; F1883-I1931 HydrophobicContact CD2-CG2 4.39Å; F1883-I1931 HydrophobicContact CG-CG2 3.98Å; L1889-I1931 HydrophobicContact CD1-CD1 3.98Å; L1889-I1931 HydrophobicContact CD1-CG2 3.91Å; I1931-I1941 HydrophobicContact CB-CG2 4.13Å; I1931-I1941 HydrophobicContact CG2-CG2 4.37Å; I1931-F1942 CarbonylContact C-O 3.53Å; I1931-F1942 VanDerWaalsContact CA-O 3.24Å; I1931-F1942 WeakPolarHBondContact CA-O 3.28Å; I1931-Q1943 HydrophobicContact CG2-CB 4.09Å; I1931-Q1943 HydrophobicContact CG2-CG 4.17Å |
| 1932 | C | 78.6 | Confident | 66.1 | Low | 33 Ų | 33 | 37 Ų | 37 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144.6 | 173.3 | 110.2 | 0 | 0 | 0 | 0 | 111.1 | I1941 F1942 | C1932-I1941 CarbonylContact O-C 3.52Å; C1932-I1941 VanDerWaalsContact O-CA 3.31Å; C1932-I1941 WeakPolarHBondContact O-CA 3.39Å; C1932-F1942 PolarHBondContact N-O 3.08Å; C1932-F1942 PolarHBondContact O-N 2.98Å |
| 1933 | F | 80.3 | Confident | 67.3 | Low | 12 Ų | 12 | 31.4 Ų | 31.4 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 147.4 | 174.6 | -79.4 | -91.9 | 0 | 0 | 0 | 111.6 | A1871 Y1872 P1874 I1879 A1881 L1891 K1935 G1938 Y1940 I1941 T1959 S2492 | A1871-F1933 HydrophobicContact CB-CD2 3.88Å; A1871-F1933 HydrophobicContact CB-CE2 4.05Å; A1871-F1933 WeakPolarHBondContact O-CE2 3.39Å; Y1872-F1933 VanDerWaalsContact O-CD2 3.29Å; Y1872-F1933 WeakPolarHBondContact O-CD2 3.33Å; P1874-F1933 HydrophobicContact CG-CB 4.44Å; I1879-F1933 HydrophobicContact CG2-CZ 4.33Å; A1881-F1933 HydrophobicContact CB-CE2 3.58Å; A1881-F1933 HydrophobicContact CB-CZ 3.63Å; L1891-F1933 HydrophobicContact CD2-CZ 4.43Å; F1933-K1935 PolarHBondContact O-N 3.11Å; F1933-G1938 WeakPolarHBondContact CD1-O 3.18Å; F1933-Y1940 CarbonylContact C-O 3.47Å; F1933-Y1940 WeakPolarHBondContact CA-O 3.3Å; F1933-I1941 HydrophobicContact CD1-CD1 4.28Å; F1933-I1941 HydrophobicContact CD1-CG1 3.6Å; F1933-I1941 HydrophobicContact CD2-CG1 4.37Å; F1933-I1941 HydrophobicContact CE1-CD1 3.64Å; F1933-I1941 HydrophobicContact CE1-CG1 3.49Å; F1933-I1941 VanDerWaalsContact CE1-CG1 3.47Å; F1933-I1941 HydrophobicContact CE2-CD1 4.41Å; F1933-I1941 HydrophobicContact CE2-CG1 4.39Å; F1933-I1941 HydrophobicContact CG-CG1 4.15Å; F1933-I1941 HydrophobicContact CZ-CD1 3.75Å; F1933-I1941 HydrophobicContact CZ-CG1 3.92Å; F1933-T1959 HydrophobicContact CD1-CG2 4.31Å; F1933-T1959 HydrophobicContact CE1-CG2 3.86Å; F1933-S2492 PolarHBondContact O-OG 2.86Å |
| 1934 | S | 71.5 | Confident | 68.1 | Low | 9.2 Ų | 9.2 | 28.7 Ų | 28.7 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 123.2 | 168.6 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | N1937 G1938 Q1939 Y1940 S2492 C2502 | S1934-N1937 PolarHBondContact O-N 3.18Å; S1934-N1937 PolarHBondContact OG-OD1 3.1Å; S1934-G1938 VanDerWaalsContact O-CA 3.28Å; S1934-G1938 WeakPolarHBondContact O-CA 3.33Å; S1934-G1938 PolarHBondContact O-N 3.19Å; S1934-Q1939 PolarHBondContact OG-N 3.09Å; S1934-Q1939 VanDerWaalsContact OG-N 3.13Å; S1934-Y1940 PolarHBondContact N-O 3.01Å; S1934-Y1940 PolarHBondContact OG-N 3.05Å; S1934-Y1940 PolarHBondContact OG-O 3.14Å; S1934-S2492 VanDerWaalsContact CA-OG 3.22Å; S1934-S2492 WeakPolarHBondContact CA-OG 3.43Å; S1934-C2502 VanDerWaalsContact CB-SG 3.55Å |
| 1935 | K | 66.9 | Low | 68.2 | Low | 86.4 Ų | 86.4 | 28.1 Ų | 28.1 | 38% | 0.376 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 147.3 | 171.8 | -63.6 | 177.9 | -176.4 | 171.6 | 0 | 110.4 | E1646 E1691 P1874 F1933 S2492 C2494 | E1646-K1935 IonicContact OE1-NZ 3.71Å; E1646-K1935 PolarHBondContact OE1-NZ 2.75Å; E1691-K1935 IonicContact OE2-NZ 2.69Å; E1691-K1935 PolarHBondContact OE2-NZ 2.73Å; P1874-K1935 HydrophobicContact CB-CG 4.39Å; F1933-K1935 PolarHBondContact O-N 3.11Å; K1935-S2492 WeakPolarHBondContact CD-O 3.23Å; K1935-S2492 PolarHBondContact N-OG 2.76Å; K1935-C2494 PolarHBondContact O-SG 3.32Å |
| 1936 | P | 58 | Low | 68 | Low | 88.2 Ų | 88.2 | 27.9 Ų | 27.9 | 57% | 0.573 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90 | -13.6 | -1.6 | 33.6 | -33 | 0 | 0 | 0 | 114.3 | P1874 N1875 C2494 | P1874-P1936 VanDerWaalsContact CB-O 3.27Å; P1874-P1936 WeakPolarHBondContact CB-O 3.39Å; P1874-P1936 VanDerWaalsContact CG-O 3.27Å; P1874-P1936 WeakPolarHBondContact CG-O 3.4Å; N1875-P1936 PolarHBondContact OD1-O 3.23Å; P1936-C2494 WeakPolarHBondContact CD-SG 3.46Å |
| 1937 | N | 64.2 | Low | 67.5 | Low | 77.4 Ų | 77.4 | 28.3 Ų | 28.3 | 41% | 0.414 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -12.5 | -164.4 | -25.8 | -0.6 | 0 | 0 | 0 | 115.5 | N1875 S1934 Q1939 | N1875-N1937 PolarHBondContact ND2-O 3.46Å; S1934-N1937 PolarHBondContact O-N 3.18Å; S1934-N1937 PolarHBondContact OG-OD1 3.1Å; N1937-Q1939 PolarHBondContact O-N 3.01Å; N1937-Q1939 VanDerWaalsContact OD1-CB 3.24Å; N1937-Q1939 WeakPolarHBondContact OD1-CB 3.36Å; N1937-Q1939 PolarHBondContact OD1-N 2.86Å; N1937-Q1939 VanDerWaalsContact OD1-N 3.09Å |
| 1938 | G | 68.8 | Low | 66.7 | Low | 3.4 Ų | 3.4 | 33.2 Ų | 33.2 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | trans | 66.5 | 19.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1933 S1934 Y1940 T1959 | F1933-G1938 WeakPolarHBondContact CD1-O 3.18Å; S1934-G1938 VanDerWaalsContact O-CA 3.28Å; S1934-G1938 WeakPolarHBondContact O-CA 3.33Å; S1934-G1938 PolarHBondContact O-N 3.19Å; G1938-Y1940 VanDerWaalsContact C-N 3.29Å; G1938-Y1940 PolarHBondContact O-N 3.29Å; G1938-T1959 WeakPolarHBondContact O-CG2 3.27Å; G1938-T1959 PolarHBondContact O-OG1 3.05Å | ||
| 1939 | Q | 70.4 | Confident | 65.8 | Low | 25.4 Ų | 25.4 | 35.9 Ų | 35.9 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | trans | -66.6 | -33.2 | -176.6 | -177.2 | 175.7 | -16.8 | 0 | 0 | 112.7 | S1934 N1937 D1958 T1959 R1960 | S1934-Q1939 PolarHBondContact OG-N 3.09Å; S1934-Q1939 VanDerWaalsContact OG-N 3.13Å; N1937-Q1939 PolarHBondContact O-N 3.01Å; N1937-Q1939 VanDerWaalsContact OD1-CB 3.24Å; N1937-Q1939 WeakPolarHBondContact OD1-CB 3.36Å; N1937-Q1939 PolarHBondContact OD1-N 2.86Å; N1937-Q1939 VanDerWaalsContact OD1-N 3.09Å; Q1939-D1958 PolarHBondContact NE2-OD2 3.23Å; Q1939-D1958 CarbonylContact O-C 3.59Å; Q1939-D1958 WeakPolarHBondContact O-CA 3.47Å; Q1939-T1959 WeakPolarHBondContact CA-OG1 3.37Å; Q1939-T1959 WeakPolarHBondContact O-CB 3.24Å; Q1939-T1959 WeakPolarHBondContact O-CG2 3.14Å; Q1939-T1959 PolarHBondContact O-N 3.09Å; Q1939-T1959 PolarHBondContact O-OG1 2.95Å; Q1939-R1960 HydrophobicContact CG-CG 4.29Å | ||
| 1940 | Y | 72 | Confident | 64.6 | Low | 32.6 Ų | 32.6 | 38.2 Ų | 38.2 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.6 | -179.3 | -52 | -65 | 0 | 0 | 0 | 111.3 | I1620 F1933 S1934 G1938 F1942 I1956 W1957 D1958 Y1965 R2476 M2524 | I1620-Y1940 HydrophobicContact CD1-CD1 4.1Å; I1620-Y1940 HydrophobicContact CD1-CE1 3.48Å; I1620-Y1940 VanDerWaalsContact CD1-CE1 3.48Å; I1620-Y1940 HydrophobicContact CD1-CE2 4.24Å; F1933-Y1940 CarbonylContact C-O 3.47Å; F1933-Y1940 WeakPolarHBondContact CA-O 3.3Å; S1934-Y1940 PolarHBondContact N-O 3.01Å; S1934-Y1940 PolarHBondContact OG-N 3.05Å; S1934-Y1940 PolarHBondContact OG-O 3.14Å; G1938-Y1940 VanDerWaalsContact C-N 3.29Å; G1938-Y1940 PolarHBondContact O-N 3.29Å; Y1940-F1942 HydrophobicContact CD2-CZ 4.39Å; Y1940-I1956 HydrophobicContact CD1-CG2 4.23Å; Y1940-I1956 HydrophobicContact CG-CG2 4.31Å; Y1940-W1957 CarbonylContact C-O 3.52Å; Y1940-W1957 WeakPolarHBondContact CA-O 3.29Å; Y1940-D1958 HydrophobicContact CD1-CB 4.13Å; Y1940-D1958 HydrophobicContact CE1-CB 3.96Å; Y1940-D1958 WeakPolarHBondContact CE1-OD2 3.23Å; Y1940-Y1965 AromaticContact CD1-CD2 3.97Å; Y1940-Y1965 HydrophobicContact CD1-CD2 4.09Å; Y1940-Y1965 AromaticContact CD1-CE2 3.59Å; Y1940-Y1965 HydrophobicContact CD1-CE2 3.59Å; Y1940-Y1965 HydrophobicContact CD1-CG 4.45Å; Y1940-Y1965 AromaticContact CE1-CD2 3.47Å; Y1940-Y1965 HydrophobicContact CE1-CD2 3.86Å; Y1940-Y1965 VanDerWaalsContact CE1-CD2 3.47Å; Y1940-Y1965 AromaticContact CE1-CE2 3.46Å; Y1940-Y1965 HydrophobicContact CE1-CE2 3.75Å; Y1940-Y1965 HydrophobicContact CE1-CG 4.04Å; Y1940-Y1965 AromaticContact CZ-CE2 3.97Å; Y1940-R2476 PolarHBondContact OH-NH1 2.7Å; Y1940-R2476 PolarHBondContact OH-NH2 3.32Å; Y1940-M2524 HydrophobicContact CD1-CE 3.94Å; Y1940-M2524 HydrophobicContact CD1-SD 4.06Å; Y1940-M2524 HydrophobicContact CD2-CE 3.97Å; Y1940-M2524 HydrophobicContact CD2-SD 3.71Å; Y1940-M2524 HydrophobicContact CE1-CE 3.36Å; Y1940-M2524 HydrophobicContact CE1-SD 4.09Å; Y1940-M2524 HydrophobicContact CE2-CE 3.37Å; Y1940-M2524 HydrophobicContact CE2-SD 3.73Å; Y1940-M2524 HydrophobicContact CG-CE 4.21Å; Y1940-M2524 HydrophobicContact CG-SD 3.87Å; Y1940-M2524 WeakPolarHBondContact OH-CE 3.21Å |
| 1941 | I | 74.9 | Confident | 63.4 | Low | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.3 | 165.5 | -63.4 | 164.3 | 0 | 0 | 0 | 107.5 | A1881 L1889 L1891 I1931 C1932 F1933 I1956 W1957 T1959 | A1881-I1941 HydrophobicContact CB-CD1 4Å; L1889-I1941 HydrophobicContact CD1-CG2 4.29Å; L1889-I1941 HydrophobicContact CD2-CD1 4.13Å; L1889-I1941 HydrophobicContact CD2-CG2 4.35Å; L1891-I1941 HydrophobicContact CD1-CD1 4.41Å; L1891-I1941 HydrophobicContact CD2-CD1 3.5Å; L1891-I1941 VanDerWaalsContact CD2-CD1 3.4Å; L1891-I1941 HydrophobicContact CG-CD1 4.5Å; I1931-I1941 HydrophobicContact CB-CG2 4.13Å; I1931-I1941 HydrophobicContact CG2-CG2 4.37Å; C1932-I1941 CarbonylContact O-C 3.52Å; C1932-I1941 VanDerWaalsContact O-CA 3.31Å; C1932-I1941 WeakPolarHBondContact O-CA 3.39Å; F1933-I1941 HydrophobicContact CD1-CD1 4.28Å; F1933-I1941 HydrophobicContact CD1-CG1 3.6Å; F1933-I1941 HydrophobicContact CD2-CG1 4.37Å; F1933-I1941 HydrophobicContact CE1-CD1 3.64Å; F1933-I1941 HydrophobicContact CE1-CG1 3.49Å; F1933-I1941 VanDerWaalsContact CE1-CG1 3.47Å; F1933-I1941 HydrophobicContact CE2-CD1 4.41Å; F1933-I1941 HydrophobicContact CE2-CG1 4.39Å; F1933-I1941 HydrophobicContact CG-CG1 4.15Å; F1933-I1941 HydrophobicContact CZ-CD1 3.75Å; F1933-I1941 HydrophobicContact CZ-CG1 3.92Å; I1941-I1956 CarbonylContact O-C 3.56Å; I1941-I1956 WeakPolarHBondContact O-CA 3.2Å; I1941-W1957 HydrophobicContact CB-CB 4.14Å; I1941-W1957 HydrophobicContact CB-CG 4.44Å; I1941-W1957 PolarHBondContact N-O 2.96Å; I1941-W1957 WeakPolarHBondContact O-CB 3.46Å; I1941-W1957 VanDerWaalsContact O-CD1 3.27Å; I1941-W1957 PolarHBondContact O-N 3.05Å; I1941-T1959 HydrophobicContact CD1-CG2 3.63Å; I1941-T1959 HydrophobicContact CG1-CG2 3.65Å |
| 1942 | F | 71.4 | Confident | 62 | Low | 30 Ų | 30 | 43.8 Ų | 43.8 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.3 | 170.5 | -58.9 | -82.1 | 0 | 0 | 0 | 108.4 | M1647 I1931 C1932 Y1940 I1954 N1955 I1956 L2490 V2504 M2524 | M1647-F1942 HydrophobicContact CE-CE2 4.14Å; M1647-F1942 HydrophobicContact SD-CE2 4.21Å; M1647-F1942 HydrophobicContact SD-CZ 4.35Å; I1931-F1942 CarbonylContact C-O 3.53Å; I1931-F1942 VanDerWaalsContact CA-O 3.24Å; I1931-F1942 WeakPolarHBondContact CA-O 3.28Å; C1932-F1942 PolarHBondContact N-O 3.08Å; C1932-F1942 PolarHBondContact O-N 2.98Å; Y1940-F1942 HydrophobicContact CD2-CZ 4.39Å; F1942-I1954 HydrophobicContact CB-CG2 4.28Å; F1942-I1954 HydrophobicContact CD1-CG2 4.29Å; F1942-N1955 CarbonylContact C-O 3.51Å; F1942-N1955 WeakPolarHBondContact CA-O 3.36Å; F1942-I1956 HydrophobicContact CD1-CB 4.33Å; F1942-I1956 HydrophobicContact CD1-CD1 4.16Å; F1942-I1956 HydrophobicContact CD1-CG1 3.81Å; F1942-I1956 HydrophobicContact CD1-CG2 4.32Å; F1942-I1956 HydrophobicContact CE1-CB 4.2Å; F1942-I1956 HydrophobicContact CE1-CD1 3.91Å; F1942-I1956 HydrophobicContact CE1-CG1 3.83Å; F1942-I1956 HydrophobicContact CE1-CG2 4.03Å; F1942-I1956 HydrophobicContact CZ-CG2 4.44Å; F1942-L2490 HydrophobicContact CB-CD1 4.03Å; F1942-V2504 HydrophobicContact CB-CG1 4.31Å; F1942-V2504 HydrophobicContact CD1-CB 4.48Å; F1942-V2504 HydrophobicContact CD1-CG1 4.26Å; F1942-V2504 HydrophobicContact CD1-CG2 3.79Å; F1942-V2504 HydrophobicContact CD2-CG1 4.34Å; F1942-V2504 HydrophobicContact CD2-CG2 3.89Å; F1942-V2504 HydrophobicContact CE1-CB 4.49Å; F1942-V2504 HydrophobicContact CE1-CG2 3.38Å; F1942-V2504 HydrophobicContact CE2-CG2 3.46Å; F1942-V2504 VanDerWaalsContact CE2-CG2 3.41Å; F1942-V2504 HydrophobicContact CG-CG1 4.11Å; F1942-V2504 HydrophobicContact CG-CG2 4.04Å; F1942-V2504 HydrophobicContact CZ-CG2 3.19Å; F1942-M2524 HydrophobicContact CE1-CG 4.49Å; F1942-M2524 HydrophobicContact CZ-SD 4.5Å |
| 1943 | Q | 70.4 | Confident | 60.9 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.7 | 176.3 | 174.4 | -165.4 | -18.5 | 0 | 0 | 109 | F1883 K1930 I1931 G1945 I1954 N1955 W1957 L2490 | F1883-Q1943 HydrophobicContact CD2-CG 4.24Å; F1883-Q1943 VanDerWaalsContact CE2-CD 3.42Å; F1883-Q1943 HydrophobicContact CE2-CG 4.13Å; F1883-Q1943 VanDerWaalsContact CE2-NE2 3.25Å; F1883-Q1943 HydrophobicContact CZ-CG 4.18Å; K1930-Q1943 CarbonylContact O-C 3.49Å; K1930-Q1943 WeakPolarHBondContact O-CA 3.43Å; I1931-Q1943 HydrophobicContact CG2-CB 4.09Å; I1931-Q1943 HydrophobicContact CG2-CG 4.17Å; Q1943-G1945 VanDerWaalsContact CG-O 3.3Å; Q1943-G1945 WeakPolarHBondContact CG-O 3.24Å; Q1943-G1945 PolarHBondContact NE2-O 2.74Å; Q1943-G1945 VanDerWaalsContact NE2-O 3.16Å; Q1943-I1954 CarbonylContact O-C 3.41Å; Q1943-I1954 VanDerWaalsContact O-CA 3.27Å; Q1943-I1954 WeakPolarHBondContact O-CA 3.39Å; Q1943-N1955 HydrophobicContact CB-CB 4.31Å; Q1943-N1955 PolarHBondContact N-O 3.24Å; Q1943-N1955 PolarHBondContact O-N 3.05Å; Q1943-N1955 PolarHBondContact OE1-ND2 2.91Å; Q1943-W1957 VanDerWaalsContact CB-NE1 3.28Å; Q1943-W1957 VanDerWaalsContact OE1-CE2 3.26Å; Q1943-W1957 VanDerWaalsContact OE1-CZ2 3.32Å; Q1943-L2490 VanDerWaalsContact C-CD1 3.47Å |
| 1944 | S | 66 | Low | 60 | Low | 17 Ų | 17 | 48.9 Ų | 48.9 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.5 | 166.7 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | G1929 K1930 P2487 L2490 | G1929-S1944 CarbonylContact C-O 3.52Å; G1929-S1944 WeakPolarHBondContact CA-O 3.39Å; K1930-S1944 PolarHBondContact N-O 3.33Å; K1930-S1944 PolarHBondContact N-OG 3.09Å; K1930-S1944 VanDerWaalsContact N-OG 3.07Å; K1930-S1944 PolarHBondContact O-N 3.16Å; K1930-S1944 PolarHBondContact O-OG 2.96Å; K1930-S1944 VanDerWaalsContact O-OG 3.1Å; S1944-P2487 WeakPolarHBondContact CB-O 3.38Å; S1944-P2487 PolarHBondContact OG-O 3.08Å; S1944-P2487 VanDerWaalsContact OG-O 3.08Å; S1944-L2490 VanDerWaalsContact OG-CD1 3.28Å; S1944-L2490 WeakPolarHBondContact OG-CD1 3.39Å |
| 1945 | G | 57.7 | Low | 59.5 | Low | 10.4 Ų | 10.4 | 49.3 Ų | 49.3 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | trans | 66.3 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1883 Y1928 Q1943 L1950 Y1953 | F1883-G1945 WeakPolarHBondContact CZ-O 3.34Å; Y1928-G1945 CarbonylContact O-C 3.57Å; Q1943-G1945 VanDerWaalsContact CG-O 3.3Å; Q1943-G1945 WeakPolarHBondContact CG-O 3.24Å; Q1943-G1945 PolarHBondContact NE2-O 2.74Å; Q1943-G1945 VanDerWaalsContact NE2-O 3.16Å; G1945-L1950 WeakPolarHBondContact O-CB 3.41Å; G1945-L1950 WeakPolarHBondContact O-CD1 3.44Å; G1945-Y1953 PolarHBondContact N-O 3.16Å | ||
| 1946 | G | 51.2 | Low | 59.4 | Low | 4.4 Ų | 4.4 | 46.5 Ų | 46.5 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | trans | 155.1 | 118.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q1905 Y1928 F1949 L1950 | Q1905-G1946 PolarHBondContact OE1-O 2.92Å; Y1928-G1946 VanDerWaalsContact O-CA 3.31Å; Y1928-G1946 WeakPolarHBondContact O-CA 3.39Å; Y1928-G1946 PolarHBondContact O-N 3.21Å; Y1928-G1946 VanDerWaalsContact O-N 3.11Å; G1946-F1949 VanDerWaalsContact O-O 3.06Å; G1946-L1950 WeakPolarHBondContact O-CB 3.28Å; G1946-L1950 VanDerWaalsContact O-CD1 3.29Å; G1946-L1950 WeakPolarHBondContact O-CD1 3.23Å; G1946-L1950 VanDerWaalsContact O-CG 3.27Å; G1946-L1950 WeakPolarHBondContact O-CG 3.32Å; G1946-L1950 PolarHBondContact O-N 3.49Å | ||
| 1947 | G | 47.1 | Very low | 59.8 | Low | 14.4 Ų | 14.4 | 42.8 Ų | 42.8 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -173.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1885 Y1907 Y1928 F1949 N1951 | K1885-G1947 VanDerWaalsContact O-CA 3.27Å; K1885-G1947 WeakPolarHBondContact O-CA 3.4Å; K1885-G1947 PolarHBondContact O-N 2.9Å; K1885-G1947 VanDerWaalsContact O-N 3.1Å; Y1907-G1947 WeakPolarHBondContact OH-CA 3.47Å; Y1928-G1947 WeakPolarHBondContact CD1-O 3.42Å; G1947-F1949 PolarHBondContact O-N 2.93Å; G1947-N1951 PolarHBondContact O-OD1 3.29Å |
| 1948 | Q | 43.4 | Very low | 59.8 | Low | 150.8 Ų | 150.8 | 39.4 Ų | 39.4 | 71% | 0.705 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13 | -177.8 | -66.1 | -178.5 | 1.4 | 0 | 0 | 113.8 | ||
| 1949 | F | 43.3 | Very low | 59.7 | Low | 112.4 Ų | 112.4 | 40.1 Ų | 40.1 | 49% | 0.493 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -110.4 | 61.4 | -177.6 | -59.4 | -75.5 | 0 | 0 | 0 | 111.1 | Y1907 S1911 G1946 G1947 N1951 | Y1907-F1949 HydrophobicContact CD1-CD2 4.18Å; Y1907-F1949 AromaticContact CE1-CD2 3.7Å; Y1907-F1949 HydrophobicContact CE1-CD2 3.7Å; Y1907-F1949 AromaticContact CE1-CE2 3.94Å; Y1907-F1949 HydrophobicContact CE1-CE2 3.94Å; Y1907-F1949 AromaticContact CZ-CD2 3.68Å; Y1907-F1949 VanDerWaalsContact OH-CD2 3.23Å; Y1907-F1949 WeakPolarHBondContact OH-CD2 3.31Å; S1911-F1949 WeakPolarHBondContact OG-CZ 3.5Å; G1946-F1949 VanDerWaalsContact O-O 3.06Å; G1947-F1949 PolarHBondContact O-N 2.93Å; F1949-N1951 PolarHBondContact O-N 2.87Å |
| 1950 | L | 45 | Very low | 59.3 | Low | 51.4 Ų | 51.4 | 46.4 Ų | 46.4 | 27% | 0.269 | 22% | 0.223 | S | C | . | . | trans | -76.2 | 39.1 | 174.1 | -64.9 | 161.1 | 0 | 0 | 0 | 112.6 | V1641 Y1907 L1923 Q1927 G1945 G1946 N1952 Y1953 N1955 V2486 T2511 | V1641-L1950 HydrophobicContact CG1-CB 4.46Å; V1641-L1950 HydrophobicContact CG1-CD2 4.02Å; Y1907-L1950 WeakPolarHBondContact OH-CD1 3.23Å; Y1907-L1950 WeakPolarHBondContact OH-CG 3.37Å; L1923-L1950 HydrophobicContact CD1-CD1 4.3Å; Q1927-L1950 VanDerWaalsContact O-CD2 3.25Å; Q1927-L1950 WeakPolarHBondContact O-CD2 3.35Å; G1945-L1950 WeakPolarHBondContact O-CB 3.41Å; G1945-L1950 WeakPolarHBondContact O-CD1 3.44Å; G1946-L1950 WeakPolarHBondContact O-CB 3.28Å; G1946-L1950 VanDerWaalsContact O-CD1 3.29Å; G1946-L1950 WeakPolarHBondContact O-CD1 3.23Å; G1946-L1950 VanDerWaalsContact O-CG 3.27Å; G1946-L1950 WeakPolarHBondContact O-CG 3.32Å; G1946-L1950 PolarHBondContact O-N 3.49Å; L1950-N1952 PolarHBondContact O-N 3.16Å; L1950-N1952 VanDerWaalsContact O-N 3.14Å; L1950-N1952 PolarHBondContact O-OD1 3.49Å; L1950-Y1953 HydrophobicContact CB-CD2 3.75Å; L1950-Y1953 HydrophobicContact CB-CE2 4.47Å; L1950-Y1953 HydrophobicContact CD2-CD2 3.34Å; L1950-Y1953 HydrophobicContact CD2-CE2 3.61Å; L1950-Y1953 HydrophobicContact CD2-CG 4.13Å; L1950-Y1953 HydrophobicContact CG-CD2 4.18Å; L1950-Y1953 PolarHBondContact O-N 2.97Å; L1950-N1955 VanDerWaalsContact CD2-ND2 3.26Å; L1950-N1955 WeakPolarHBondContact CD2-ND2 3.33Å; L1950-V2486 HydrophobicContact CB-CB 4.48Å; L1950-V2486 HydrophobicContact CB-CG1 4.15Å; L1950-V2486 HydrophobicContact CB-CG2 3.52Å; L1950-V2486 HydrophobicContact CD1-CG2 4.06Å; L1950-V2486 HydrophobicContact CD2-CB 4.38Å; L1950-V2486 HydrophobicContact CD2-CG1 3.76Å; L1950-V2486 HydrophobicContact CD2-CG2 3.93Å; L1950-V2486 HydrophobicContact CG-CG2 4.04Å; L1950-T2511 HydrophobicContact CD1-CG2 3.48Å; L1950-T2511 VanDerWaalsContact CD1-CG2 3.48Å; L1950-T2511 WeakPolarHBondContact CD1-OG1 3.42Å; L1950-T2511 HydrophobicContact CD2-CG2 3.89Å; L1950-T2511 HydrophobicContact CG-CG2 4.29Å | ||
| 1951 | N | 48.5 | Very low | 58.4 | Low | 82 Ų | 82 | 48.1 Ų | 48.1 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 83.4 | -178.6 | -76.4 | -10.4 | 0 | 0 | 0 | 110.8 | Y1907 G1947 F1949 Y1953 V2486 P2487 | Y1907-N1951 PolarHBondContact OH-ND2 2.91Å; G1947-N1951 PolarHBondContact O-OD1 3.29Å; F1949-N1951 PolarHBondContact O-N 2.87Å; N1951-Y1953 HydrophobicContact CB-CD2 3.87Å; N1951-Y1953 HydrophobicContact CB-CE2 3.72Å; N1951-Y1953 PolarHBondContact O-N 3.23Å; N1951-V2486 HydrophobicContact CB-CG2 4.2Å; N1951-V2486 WeakPolarHBondContact O-CA 3.33Å; N1951-P2487 WeakPolarHBondContact O-CD 3.49Å |
| 1952 | N | 51.7 | Low | 57.3 | Low | 77.2 Ų | 77.2 | 53.6 Ų | 53.6 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 25.4 | -177.6 | -64.5 | -15.7 | 0 | 0 | 0 | 113.9 | M1639 L1950 G2481 H2482 S2483 G2484 F2485 | M1639-N1952 WeakPolarHBondContact CB-ND2 3.41Å; L1950-N1952 PolarHBondContact O-N 3.16Å; L1950-N1952 VanDerWaalsContact O-N 3.14Å; L1950-N1952 PolarHBondContact O-OD1 3.49Å; N1952-G2481 WeakPolarHBondContact O-CA 3.08Å; N1952-G2481 PolarHBondContact O-N 3.44Å; N1952-H2482 WeakPolarHBondContact CB-O 3.24Å; N1952-H2482 PolarHBondContact ND2-O 3.12Å; N1952-S2483 WeakPolarHBondContact ND2-CA 2.95Å; N1952-G2484 PolarHBondContact ND2-N 3.13Å; N1952-F2485 PolarHBondContact OD1-O 3.23Å |
| 1953 | Y | 55.7 | Low | 56.3 | Low | 105 Ų | 105 | 53 Ų | 53 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146 | -177.3 | -60 | -70 | 0 | 0 | 0 | 111.5 | G1945 L1950 N1951 P1967 W1968 I1969 T2478 L2479 K2480 | G1945-Y1953 PolarHBondContact N-O 3.16Å; L1950-Y1953 HydrophobicContact CB-CD2 3.75Å; L1950-Y1953 HydrophobicContact CB-CE2 4.47Å; L1950-Y1953 HydrophobicContact CD2-CD2 3.34Å; L1950-Y1953 HydrophobicContact CD2-CE2 3.61Å; L1950-Y1953 HydrophobicContact CD2-CG 4.13Å; L1950-Y1953 HydrophobicContact CG-CD2 4.18Å; L1950-Y1953 PolarHBondContact O-N 2.97Å; N1951-Y1953 HydrophobicContact CB-CD2 3.87Å; N1951-Y1953 HydrophobicContact CB-CE2 3.72Å; N1951-Y1953 PolarHBondContact O-N 3.23Å; Y1953-P1967 HydrophobicContact CD1-CB 4.01Å; Y1953-W1968 HydrophobicContact CD1-CZ3 4.03Å; Y1953-W1968 HydrophobicContact CG-CZ3 4.05Å; Y1953-I1969 WeakPolarHBondContact CD1-O 3.39Å; Y1953-T2478 HydrophobicContact CD1-CG2 3.93Å; Y1953-T2478 HydrophobicContact CG-CG2 3.95Å; Y1953-L2479 WeakPolarHBondContact CA-O 3.27Å; Y1953-K2480 HydrophobicContact CD1-CB 4.21Å; Y1953-K2480 HydrophobicContact CD1-CD 4.39Å; Y1953-K2480 HydrophobicContact CD1-CG 3.77Å; Y1953-K2480 HydrophobicContact CE1-CB 4.01Å; Y1953-K2480 HydrophobicContact CE1-CD 3.75Å; Y1953-K2480 HydrophobicContact CE1-CG 3.48Å |
| 1954 | I | 60.8 | Low | 55.3 | Low | 46.8 Ų | 46.8 | 54.9 Ų | 54.9 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.8 | 166 | -59.7 | 166.4 | 0 | 0 | 0 | 107 | V1645 L1654 F1942 Q1943 W1968 T2478 L2479 P2487 L2490 S2506 W2522 | V1645-I1954 HydrophobicContact CG2-CD1 4.36Å; L1654-I1954 HydrophobicContact CD2-CD1 3.96Å; F1942-I1954 HydrophobicContact CB-CG2 4.28Å; F1942-I1954 HydrophobicContact CD1-CG2 4.29Å; Q1943-I1954 CarbonylContact O-C 3.41Å; Q1943-I1954 VanDerWaalsContact O-CA 3.27Å; Q1943-I1954 WeakPolarHBondContact O-CA 3.39Å; I1954-W1968 VanDerWaalsContact O-CH2 3.23Å; I1954-W1968 WeakPolarHBondContact O-CH2 3.26Å; I1954-W1968 PolarHBondContact O-N 2.95Å; I1954-T2478 CarbonylContact O-C 3.22Å; I1954-T2478 WeakPolarHBondContact O-CA 3.44Å; I1954-L2479 HydrophobicContact CB-CB 4.16Å; I1954-L2479 HydrophobicContact CB-CD1 4.35Å; I1954-L2479 HydrophobicContact CG2-CD1 4.28Å; I1954-L2479 PolarHBondContact N-O 3.01Å; I1954-L2479 PolarHBondContact O-N 2.98Å; I1954-P2487 HydrophobicContact CD1-CB 4.32Å; I1954-P2487 HydrophobicContact CG1-CB 4.22Å; I1954-P2487 HydrophobicContact CG1-CG 4.08Å; I1954-L2490 HydrophobicContact CD1-CD2 3.78Å; I1954-L2490 HydrophobicContact CG1-CD2 4.08Å; I1954-L2490 HydrophobicContact CG2-CD1 4.22Å; I1954-L2490 HydrophobicContact CG2-CD2 3.98Å; I1954-S2506 WeakPolarHBondContact CD1-OG 3.32Å; I1954-W2522 HydrophobicContact CD1-CH2 3.51Å; I1954-W2522 HydrophobicContact CD1-CZ2 4.26Å; I1954-W2522 HydrophobicContact CD1-CZ3 3.67Å |
| 1955 | N | 62.3 | Low | 54.5 | Low | 18.4 Ų | 18.4 | 57 Ų | 57 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.7 | 177.3 | -68 | -33 | 0 | 0 | 0 | 109.9 | Q1905 F1942 Q1943 L1950 W1957 Y2475 | Q1905-N1955 PolarHBondContact NE2-ND2 2.92Å; F1942-N1955 CarbonylContact C-O 3.51Å; F1942-N1955 WeakPolarHBondContact CA-O 3.36Å; Q1943-N1955 HydrophobicContact CB-CB 4.31Å; Q1943-N1955 PolarHBondContact N-O 3.24Å; Q1943-N1955 PolarHBondContact O-N 3.05Å; Q1943-N1955 PolarHBondContact OE1-ND2 2.91Å; L1950-N1955 VanDerWaalsContact CD2-ND2 3.26Å; L1950-N1955 WeakPolarHBondContact CD2-ND2 3.33Å; N1955-W1957 HydrophobicContact CB-CZ2 4.05Å; N1955-Y2475 HydrophobicContact CB-CD2 4.33Å; N1955-Y2475 HydrophobicContact CB-CE2 3.7Å; N1955-Y2475 VanDerWaalsContact OD1-CE2 3.24Å; N1955-Y2475 WeakPolarHBondContact OD1-CE2 3.45Å; N1955-Y2475 PolarHBondContact OD1-OH 3.19Å |
| 1956 | I | 65.1 | Low | 54.1 | Low | 28 Ų | 28 | 57.6 Ų | 57.6 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.6 | 175 | -50.6 | 177.1 | 0 | 0 | 0 | 108 | Y1940 I1941 F1942 T1964 Y1965 W1968 Y2475 R2476 G2477 L2479 M2524 | Y1940-I1956 HydrophobicContact CD1-CG2 4.23Å; Y1940-I1956 HydrophobicContact CG-CG2 4.31Å; I1941-I1956 CarbonylContact O-C 3.56Å; I1941-I1956 WeakPolarHBondContact O-CA 3.2Å; F1942-I1956 HydrophobicContact CD1-CB 4.33Å; F1942-I1956 HydrophobicContact CD1-CD1 4.16Å; F1942-I1956 HydrophobicContact CD1-CG1 3.81Å; F1942-I1956 HydrophobicContact CD1-CG2 4.32Å; F1942-I1956 HydrophobicContact CE1-CB 4.2Å; F1942-I1956 HydrophobicContact CE1-CD1 3.91Å; F1942-I1956 HydrophobicContact CE1-CG1 3.83Å; F1942-I1956 HydrophobicContact CE1-CG2 4.03Å; F1942-I1956 HydrophobicContact CZ-CG2 4.44Å; I1956-T1964 CarbonylContact O-C 3.6Å; I1956-T1964 VanDerWaalsContact O-C 3.3Å; I1956-T1964 WeakPolarHBondContact O-CA 3.41Å; I1956-Y1965 HydrophobicContact CG2-CD2 4.21Å; I1956-Y1965 WeakPolarHBondContact O-CA 3.11Å; I1956-Y1965 WeakPolarHBondContact O-CB 3.23Å; I1956-Y1965 PolarHBondContact O-N 2.87Å; I1956-W1968 HydrophobicContact CD1-CD2 3.57Å; I1956-W1968 HydrophobicContact CD1-CE3 4.15Å; I1956-W1968 HydrophobicContact CD1-CG 3.82Å; I1956-W1968 HydrophobicContact CD1-CH2 4.4Å; I1956-W1968 HydrophobicContact CD1-CZ2 3.86Å; I1956-W1968 HydrophobicContact CG1-CG 4.47Å; I1956-Y2475 VanDerWaalsContact O-O 3.06Å; I1956-R2476 PolarHBondContact O-N 3.21Å; I1956-G2477 WeakPolarHBondContact CB-O 2.92Å; I1956-G2477 WeakPolarHBondContact CG1-O 3.07Å; I1956-G2477 PolarHBondContact N-O 3.22Å; I1956-G2477 VanDerWaalsContact N-O 3.12Å; I1956-G2477 PolarHBondContact O-N 2.68Å; I1956-L2479 HydrophobicContact CD1-CD1 3.83Å; I1956-L2479 HydrophobicContact CD1-CD2 4.35Å; I1956-L2479 HydrophobicContact CD1-CG 4.01Å; I1956-L2479 HydrophobicContact CG1-CD1 4.22Å; I1956-L2479 HydrophobicContact CG1-CG 4.4Å; I1956-M2524 HydrophobicContact CD1-CE 3.25Å; I1956-M2524 HydrophobicContact CD1-CG 4.49Å; I1956-M2524 HydrophobicContact CD1-SD 4.06Å; I1956-M2524 HydrophobicContact CG2-SD 3.95Å |
| 1957 | W | 66 | Low | 54.1 | Low | 10.6 Ų | 10.6 | 60.6 Ų | 60.6 | 4% | 0.04 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.8 | -178 | -52.7 | 95 | 0 | 0 | 0 | 109.6 | L1889 V1903 Q1905 Y1940 I1941 Q1943 N1955 T1959 T1964 L2473 Y2475 R2476 | L1889-W1957 HydrophobicContact CD2-CB 4.36Å; L1889-W1957 HydrophobicContact CD2-CD2 3.95Å; L1889-W1957 HydrophobicContact CD2-CE3 3.98Å; L1889-W1957 HydrophobicContact CD2-CG 3.8Å; V1903-W1957 HydrophobicContact CB-CE3 4.12Å; V1903-W1957 HydrophobicContact CB-CH2 4.22Å; V1903-W1957 HydrophobicContact CB-CZ3 3.87Å; V1903-W1957 VanDerWaalsContact CB-CZ3 3.45Å; V1903-W1957 HydrophobicContact CG1-CE3 3.55Å; V1903-W1957 HydrophobicContact CG1-CH2 4.07Å; V1903-W1957 HydrophobicContact CG1-CZ3 3.74Å; V1903-W1957 HydrophobicContact CG2-CE3 4.18Å; V1903-W1957 HydrophobicContact CG2-CH2 4.16Å; V1903-W1957 HydrophobicContact CG2-CZ3 3.96Å; Q1905-W1957 HydrophobicContact CB-CH2 4.39Å; Y1940-W1957 CarbonylContact C-O 3.52Å; Y1940-W1957 WeakPolarHBondContact CA-O 3.29Å; I1941-W1957 HydrophobicContact CB-CB 4.14Å; I1941-W1957 HydrophobicContact CB-CG 4.44Å; I1941-W1957 PolarHBondContact N-O 2.96Å; I1941-W1957 WeakPolarHBondContact O-CB 3.46Å; I1941-W1957 VanDerWaalsContact O-CD1 3.27Å; I1941-W1957 PolarHBondContact O-N 3.05Å; Q1943-W1957 VanDerWaalsContact CB-NE1 3.28Å; Q1943-W1957 VanDerWaalsContact OE1-CE2 3.26Å; Q1943-W1957 VanDerWaalsContact OE1-CZ2 3.32Å; N1955-W1957 HydrophobicContact CB-CZ2 4.05Å; W1957-T1959 PolarHBondContact O-N 3.42Å; W1957-T1964 HydrophobicContact CD2-CG2 4.06Å; W1957-T1964 HydrophobicContact CE3-CG2 3.43Å; W1957-T1964 VanDerWaalsContact CE3-CG2 3.48Å; W1957-T1964 HydrophobicContact CH2-CG2 3.42Å; W1957-T1964 VanDerWaalsContact CH2-CG2 3.43Å; W1957-T1964 HydrophobicContact CZ2-CG2 4.03Å; W1957-T1964 HydrophobicContact CZ3-CG2 3.07Å; W1957-L2473 HydrophobicContact CE3-CB 4.39Å; W1957-Y2475 HydrophobicContact CE3-CD2 4.31Å; W1957-Y2475 HydrophobicContact CH2-CD2 4.28Å; W1957-Y2475 HydrophobicContact CZ2-CD2 4.5Å; W1957-Y2475 HydrophobicContact CZ3-CD2 4.18Å; W1957-R2476 HydrophobicContact CZ3-CG 4.4Å |
| 1958 | D | 64.4 | Low | 54.5 | Low | 5.8 Ų | 5.8 | 63.2 Ų | 63.2 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.8 | 171.7 | -166.1 | -35 | 0 | 0 | 0 | 110.8 | Q1939 Y1940 R1960 L1961 W1962 A1963 Y1965 Q2474 R2476 K2527 | Q1939-D1958 PolarHBondContact NE2-OD2 3.23Å; Q1939-D1958 CarbonylContact O-C 3.59Å; Q1939-D1958 WeakPolarHBondContact O-CA 3.47Å; Y1940-D1958 HydrophobicContact CD1-CB 4.13Å; Y1940-D1958 HydrophobicContact CE1-CB 3.96Å; Y1940-D1958 WeakPolarHBondContact CE1-OD2 3.23Å; D1958-R1960 VanDerWaalsContact C-N 3.32Å; D1958-R1960 PolarHBondContact O-N 3.17Å; D1958-R1960 VanDerWaalsContact O-N 3.14Å; D1958-R1960 WeakPolarHBondContact OD1-CB 3.33Å; D1958-R1960 PolarHBondContact OD1-N 3.15Å; D1958-R1960 VanDerWaalsContact OD1-N 3.1Å; D1958-L1961 HydrophobicContact CB-CB 4.06Å; D1958-L1961 HydrophobicContact CB-CD1 4.05Å; D1958-L1961 HydrophobicContact CB-CG 4.16Å; D1958-L1961 PolarHBondContact O-N 2.83Å; D1958-L1961 WeakPolarHBondContact OD2-CD1 3.4Å; D1958-W1962 WeakPolarHBondContact O-CA 3.39Å; D1958-W1962 PolarHBondContact O-N 2.89Å; D1958-A1963 PolarHBondContact N-O 3.25Å; D1958-Y1965 HydrophobicContact CB-CD2 4.11Å; D1958-Y1965 HydrophobicContact CB-CE2 3.24Å; D1958-Y1965 WeakPolarHBondContact OD2-CE2 3.26Å; D1958-Y1965 PolarHBondContact OD2-OH 2.94Å; D1958-Q2474 HydrophobicContact CB-CB 4.46Å; D1958-Q2474 HydrophobicContact CB-CG 3.89Å; D1958-Q2474 PolarHBondContact N-O 3.49Å; D1958-Q2474 WeakPolarHBondContact O-CG 3.48Å; D1958-Q2474 PolarHBondContact O-NE2 2.86Å; D1958-R2476 HydrophobicContact CB-CB 4.37Å; D1958-R2476 IonicContact OD2-NH1 3.48Å; D1958-R2476 PolarHBondContact OD2-NH1 2.8Å; D1958-K2527 IonicContact OD1-NZ 3.56Å; D1958-K2527 PolarHBondContact OD1-NZ 2.72Å; D1958-K2527 WeakPolarHBondContact OD2-CE 3.17Å; D1958-K2527 IonicContact OD2-NZ 2.79Å; D1958-K2527 PolarHBondContact OD2-NZ 3.03Å |
| 1959 | T | 66.5 | Low | 55.1 | Low | 18 Ų | 18 | 57.8 Ų | 57.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17 | -178.3 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | F1933 G1938 Q1939 I1941 W1957 W1962 | F1933-T1959 HydrophobicContact CD1-CG2 4.31Å; F1933-T1959 HydrophobicContact CE1-CG2 3.86Å; G1938-T1959 WeakPolarHBondContact O-CG2 3.27Å; G1938-T1959 PolarHBondContact O-OG1 3.05Å; Q1939-T1959 WeakPolarHBondContact CA-OG1 3.37Å; Q1939-T1959 WeakPolarHBondContact O-CB 3.24Å; Q1939-T1959 WeakPolarHBondContact O-CG2 3.14Å; Q1939-T1959 PolarHBondContact O-N 3.09Å; Q1939-T1959 PolarHBondContact O-OG1 2.95Å; I1941-T1959 HydrophobicContact CD1-CG2 3.63Å; I1941-T1959 HydrophobicContact CG1-CG2 3.65Å; W1957-T1959 PolarHBondContact O-N 3.42Å; T1959-W1962 PolarHBondContact O-NE1 3.31Å; T1959-W1962 VanDerWaalsContact O-NE1 3.09Å |
| 1960 | R | 61.7 | Low | 55.8 | Low | 157.2 Ų | 157.2 | 57.4 Ų | 57.4 | 59% | 0.593 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -26.1 | 179.2 | -60.7 | -177.3 | -179.8 | 172.5 | 0.8 | 113.8 | Q1939 D1958 W1962 | Q1939-R1960 HydrophobicContact CG-CG 4.29Å; D1958-R1960 VanDerWaalsContact C-N 3.32Å; D1958-R1960 PolarHBondContact O-N 3.17Å; D1958-R1960 VanDerWaalsContact O-N 3.14Å; D1958-R1960 WeakPolarHBondContact OD1-CB 3.33Å; D1958-R1960 PolarHBondContact OD1-N 3.15Å; D1958-R1960 VanDerWaalsContact OD1-N 3.1Å; R1960-W1962 VanDerWaalsContact C-N 3.33Å; R1960-W1962 PolarHBondContact O-N 3.08Å |
| 1961 | L | 52.3 | Low | 56.4 | Low | 68.4 Ų | 68.4 | 56.4 Ų | 56.4 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1 | -177 | -66.5 | 171.7 | 0 | 0 | 0 | 112.6 | D1958 A1963 Y1965 Q2474 | D1958-L1961 HydrophobicContact CB-CB 4.06Å; D1958-L1961 HydrophobicContact CB-CD1 4.05Å; D1958-L1961 HydrophobicContact CB-CG 4.16Å; D1958-L1961 PolarHBondContact O-N 2.83Å; D1958-L1961 WeakPolarHBondContact OD2-CD1 3.4Å; L1961-A1963 HydrophobicContact CB-CB 4.32Å; L1961-A1963 PolarHBondContact O-N 3Å; L1961-Y1965 HydrophobicContact CD1-CE1 4.31Å; L1961-Y1965 WeakPolarHBondContact CD1-OH 3.44Å; L1961-Y1965 HydrophobicContact CD2-CE2 4.22Å; L1961-Q2474 HydrophobicContact CB-CB 3.56Å; L1961-Q2474 HydrophobicContact CD1-CB 3.94Å; L1961-Q2474 HydrophobicContact CD1-CG 4.16Å; L1961-Q2474 HydrophobicContact CG-CB 4.35Å; L1961-Q2474 PolarHBondContact O-N 2.83Å |
| 1962 | W | 53.3 | Low | 57 | Low | 115.4 Ų | 115.4 | 60.8 Ų | 60.8 | 44% | 0.437 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 37.2 | 19 | -174.5 | -58.4 | 11.4 | 0 | 0 | 0 | 113.6 | W1898 E1900 V1903 D1958 T1959 R1960 H2288 | W1898-W1962 AromaticContact CH2-CH2 3.99Å; W1898-W1962 HydrophobicContact CH2-CH2 3.99Å; W1898-W1962 AromaticContact CH2-CZ3 3.75Å; W1898-W1962 HydrophobicContact CH2-CZ3 3.75Å; W1898-W1962 HydrophobicContact CZ2-CH2 4.13Å; W1898-W1962 HydrophobicContact CZ2-CZ3 4.34Å; E1900-W1962 HydrophobicContact CB-CH2 4.14Å; E1900-W1962 HydrophobicContact CB-CZ2 4.31Å; E1900-W1962 HydrophobicContact CB-CZ3 3.88Å; E1900-W1962 HydrophobicContact CG-CH2 4.25Å; E1900-W1962 HydrophobicContact CG-CZ3 4.37Å; E1900-W1962 WeakPolarHBondContact O-CH2 3.33Å; E1900-W1962 WeakPolarHBondContact O-CZ3 3.39Å; V1903-W1962 WeakPolarHBondContact CG2-O 3.16Å; D1958-W1962 WeakPolarHBondContact O-CA 3.39Å; D1958-W1962 PolarHBondContact O-N 2.89Å; T1959-W1962 PolarHBondContact O-NE1 3.31Å; T1959-W1962 VanDerWaalsContact O-NE1 3.09Å; R1960-W1962 VanDerWaalsContact C-N 3.33Å; R1960-W1962 PolarHBondContact O-N 3.08Å; W1962-H2288 AromaticContact CH2-CE1 3.93Å; W1962-H2288 AromaticContact CH2-ND1 3.99Å |
| 1963 | A | 50.3 | Low | 57.3 | Low | 17.8 Ų | 17.8 | 60 Ų | 60 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1618 D1958 L1961 Y1965 F2468 A2469 I2472 | T1618-A1963 HydrophobicContact CG2-CB 3.34Å; D1958-A1963 PolarHBondContact N-O 3.25Å; L1961-A1963 HydrophobicContact CB-CB 4.32Å; L1961-A1963 PolarHBondContact O-N 3Å; A1963-Y1965 PolarHBondContact O-N 3.41Å; A1963-F2468 HydrophobicContact CB-CD2 4.12Å; A1963-F2468 HydrophobicContact CB-CE1 4.23Å; A1963-F2468 HydrophobicContact CB-CE2 3.59Å; A1963-F2468 HydrophobicContact CB-CZ 3.36Å; A1963-A2469 WeakPolarHBondContact CA-O 3.26Å; A1963-A2469 WeakPolarHBondContact CB-O 3.26Å; A1963-I2472 CarbonylContact C-O 3.6Å; A1963-I2472 VanDerWaalsContact C-O 3.3Å; A1963-I2472 WeakPolarHBondContact CA-O 3.29Å |
| 1964 | T | 48.5 | Very low | 57.3 | Low | 41.4 Ų | 41.4 | 56.6 Ų | 56.6 | 25% | 0.254 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.4 | 174.6 | 37.5 | 0 | 0 | 0 | 0 | 111 | T1618 I1956 W1957 G1966 F2468 A2469 I2472 Q2474 | T1618-T1964 WeakPolarHBondContact CB-O 3.43Å; T1618-T1964 VanDerWaalsContact CG2-N 3.31Å; T1618-T1964 WeakPolarHBondContact CG2-O 3.07Å; T1618-T1964 PolarHBondContact OG1-O 2.93Å; I1956-T1964 CarbonylContact O-C 3.6Å; I1956-T1964 VanDerWaalsContact O-C 3.3Å; I1956-T1964 WeakPolarHBondContact O-CA 3.41Å; W1957-T1964 HydrophobicContact CD2-CG2 4.06Å; W1957-T1964 HydrophobicContact CE3-CG2 3.43Å; W1957-T1964 VanDerWaalsContact CE3-CG2 3.48Å; W1957-T1964 HydrophobicContact CH2-CG2 3.42Å; W1957-T1964 VanDerWaalsContact CH2-CG2 3.43Å; W1957-T1964 HydrophobicContact CZ2-CG2 4.03Å; W1957-T1964 HydrophobicContact CZ3-CG2 3.07Å; T1964-G1966 VanDerWaalsContact C-N 3.33Å; T1964-G1966 PolarHBondContact O-N 3.14Å; T1964-F2468 WeakPolarHBondContact O-CA 3.27Å; T1964-F2468 WeakPolarHBondContact O-CD2 3.24Å; T1964-A2469 PolarHBondContact N-O 2.79Å; T1964-A2469 PolarHBondContact O-N 3.39Å; T1964-A2469 PolarHBondContact OG1-O 3.11Å; T1964-I2472 WeakPolarHBondContact CA-O 3.16Å; T1964-I2472 VanDerWaalsContact CB-O 3.29Å; T1964-I2472 WeakPolarHBondContact CB-O 3.43Å; T1964-I2472 HydrophobicContact CG2-CB 3.91Å; T1964-I2472 HydrophobicContact CG2-CG2 3.94Å; T1964-I2472 WeakPolarHBondContact CG2-O 3.12Å; T1964-I2472 PolarHBondContact N-O 2.94Å; T1964-I2472 PolarHBondContact OG1-O 3.19Å; T1964-Q2474 HydrophobicContact CG2-CB 3.96Å; T1964-Q2474 HydrophobicContact CG2-CG 3.9Å; T1964-Q2474 VanDerWaalsContact CG2-N 3.3Å; T1964-Q2474 WeakPolarHBondContact CG2-O 3.29Å |
| 1965 | Y | 49.1 | Very low | 57 | Low | 62 Ų | 62 | 63.8 Ų | 63.8 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 111.8 | 163.5 | -91.8 | -83.1 | 0 | 0 | 0 | 111.3 | T1618 L1619 I1620 Y1940 I1956 D1958 L1961 A1963 D2295 R2466 F2468 | T1618-Y1965 PolarHBondContact OG1-O 2.72Å; L1619-Y1965 HydrophobicContact CB-CE1 4.25Å; L1619-Y1965 WeakPolarHBondContact O-CE1 3.36Å; L1619-Y1965 PolarHBondContact O-OH 2.89Å; I1620-Y1965 HydrophobicContact CB-CD1 4.33Å; I1620-Y1965 HydrophobicContact CB-CE1 4.25Å; I1620-Y1965 HydrophobicContact CD1-CD1 3.94Å; I1620-Y1965 HydrophobicContact CD1-CD2 3.21Å; I1620-Y1965 HydrophobicContact CD1-CE1 3.92Å; I1620-Y1965 HydrophobicContact CD1-CE2 3.14Å; I1620-Y1965 HydrophobicContact CD1-CG 3.54Å; I1620-Y1965 VanDerWaalsContact CD1-CZ 3.42Å; I1620-Y1965 HydrophobicContact CG1-CD1 3.33Å; I1620-Y1965 HydrophobicContact CG1-CD2 3.6Å; I1620-Y1965 HydrophobicContact CG1-CE1 3.12Å; I1620-Y1965 HydrophobicContact CG1-CE2 3.36Å; I1620-Y1965 HydrophobicContact CG1-CG 3.5Å; I1620-Y1965 VanDerWaalsContact CG1-CG 3.5Å; I1620-Y1965 WeakPolarHBondContact CG1-OH 3.42Å; Y1940-Y1965 AromaticContact CD1-CD2 3.97Å; Y1940-Y1965 HydrophobicContact CD1-CD2 4.09Å; Y1940-Y1965 AromaticContact CD1-CE2 3.59Å; Y1940-Y1965 HydrophobicContact CD1-CE2 3.59Å; Y1940-Y1965 HydrophobicContact CD1-CG 4.45Å; Y1940-Y1965 AromaticContact CE1-CD2 3.47Å; Y1940-Y1965 HydrophobicContact CE1-CD2 3.86Å; Y1940-Y1965 VanDerWaalsContact CE1-CD2 3.47Å; Y1940-Y1965 AromaticContact CE1-CE2 3.46Å; Y1940-Y1965 HydrophobicContact CE1-CE2 3.75Å; Y1940-Y1965 HydrophobicContact CE1-CG 4.04Å; Y1940-Y1965 AromaticContact CZ-CE2 3.97Å; I1956-Y1965 HydrophobicContact CG2-CD2 4.21Å; I1956-Y1965 WeakPolarHBondContact O-CA 3.11Å; I1956-Y1965 WeakPolarHBondContact O-CB 3.23Å; I1956-Y1965 PolarHBondContact O-N 2.87Å; D1958-Y1965 HydrophobicContact CB-CD2 4.11Å; D1958-Y1965 HydrophobicContact CB-CE2 3.24Å; D1958-Y1965 WeakPolarHBondContact OD2-CE2 3.26Å; D1958-Y1965 PolarHBondContact OD2-OH 2.94Å; L1961-Y1965 HydrophobicContact CD1-CE1 4.31Å; L1961-Y1965 WeakPolarHBondContact CD1-OH 3.44Å; L1961-Y1965 HydrophobicContact CD2-CE2 4.22Å; A1963-Y1965 PolarHBondContact O-N 3.41Å; Y1965-D2295 WeakPolarHBondContact CE2-OD2 3.35Å; Y1965-D2295 VanDerWaalsContact CZ-OD2 3.26Å; Y1965-D2295 PolarHBondContact OH-OD2 3.44Å; Y1965-R2466 VanDerWaalsContact CD1-CZ 3.47Å; Y1965-R2466 VanDerWaalsContact CD1-NH2 3.33Å; Y1965-F2468 AromaticContact CD1-CD2 3.29Å; Y1965-F2468 HydrophobicContact CD1-CD2 3.79Å; Y1965-F2468 AromaticContact CD1-CE2 3.74Å; Y1965-F2468 HydrophobicContact CD1-CE2 4.02Å; Y1965-F2468 HydrophobicContact CD1-CG 4.35Å; Y1965-F2468 AromaticContact CE1-CD2 3.27Å; Y1965-F2468 HydrophobicContact CE1-CD2 3.79Å; Y1965-F2468 AromaticContact CE1-CE2 3.61Å; Y1965-F2468 HydrophobicContact CE1-CE2 3.61Å; Y1965-F2468 HydrophobicContact CE1-CG 4.38Å; Y1965-F2468 HydrophobicContact CE1-CZ 4.38Å; Y1965-F2468 HydrophobicContact CG-CD2 4.21Å; Y1965-F2468 AromaticContact CZ-CE2 3.73Å |
| 1966 | G | 50.1 | Low | 56.4 | Low | 22.2 Ų | 22.2 | 66.5 Ų | 66.5 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 154.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1964 W1968 I2467 | T1964-G1966 VanDerWaalsContact C-N 3.33Å; T1964-G1966 PolarHBondContact O-N 3.14Å; G1966-W1968 PolarHBondContact O-N 3.38Å; G1966-I2467 WeakPolarHBondContact CA-O 3.43Å; G1966-I2467 PolarHBondContact N-O 3.15Å; G1966-I2467 VanDerWaalsContact N-O 3.1Å |
| 1967 | P | 50.1 | Low | 55.6 | Low | 67 Ų | 67 | 73.5 Ų | 73.5 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 141.3 | 173 | 27.7 | -32.8 | 0 | 0 | 0 | 110.2 | Y1953 I1969 R2466 | Y1953-P1967 HydrophobicContact CD1-CB 4.01Å; P1967-I1969 VanDerWaalsContact C-N 3.27Å; P1967-I1969 HydrophobicContact CG-CG1 4.44Å; P1967-I1969 PolarHBondContact O-N 3.09Å; P1967-R2466 WeakPolarHBondContact O-CA 3.46Å; P1967-R2466 WeakPolarHBondContact O-CB 3.35Å |
| 1968 | W | 55.6 | Low | 54.8 | Low | 69.6 Ų | 69.6 | 76.6 Ų | 76.6 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 112.4 | 168 | -78 | 82.7 | 0 | 0 | 0 | 109.1 | R1625 Y1953 I1954 I1956 G1966 D1970 D2295 I2296 V2446 C2464 Y2465 R2466 | R1625-W1968 VanDerWaalsContact NH2-CZ3 3.28Å; Y1953-W1968 HydrophobicContact CD1-CZ3 4.03Å; Y1953-W1968 HydrophobicContact CG-CZ3 4.05Å; I1954-W1968 VanDerWaalsContact O-CH2 3.23Å; I1954-W1968 WeakPolarHBondContact O-CH2 3.26Å; I1954-W1968 PolarHBondContact O-N 2.95Å; I1956-W1968 HydrophobicContact CD1-CD2 3.57Å; I1956-W1968 HydrophobicContact CD1-CE3 4.15Å; I1956-W1968 HydrophobicContact CD1-CG 3.82Å; I1956-W1968 HydrophobicContact CD1-CH2 4.4Å; I1956-W1968 HydrophobicContact CD1-CZ2 3.86Å; I1956-W1968 HydrophobicContact CG1-CG 4.47Å; G1966-W1968 PolarHBondContact O-N 3.38Å; W1968-D1970 VanDerWaalsContact C-N 3.25Å; W1968-D1970 PolarHBondContact O-N 3.05Å; W1968-D2295 PolarHBondContact NE1-OD2 3.42Å; W1968-D2295 VanDerWaalsContact NE1-OD2 3.11Å; W1968-I2296 HydrophobicContact CH2-CD1 4.15Å; W1968-I2296 HydrophobicContact CZ2-CD1 3.78Å; W1968-I2296 HydrophobicContact CZ2-CG1 3.91Å; W1968-V2446 HydrophobicContact CH2-CB 3.92Å; W1968-V2446 HydrophobicContact CH2-CG2 3.39Å; W1968-V2446 VanDerWaalsContact CH2-CG2 3.42Å; W1968-V2446 HydrophobicContact CZ3-CB 3.77Å; W1968-V2446 HydrophobicContact CZ3-CG2 3.69Å; W1968-C2464 HydrophobicContact CE3-CB 3.84Å; W1968-C2464 HydrophobicContact CZ3-CB 4.34Å; W1968-C2464 VanDerWaalsContact CZ3-SG 3.58Å; W1968-Y2465 CarbonylContact C-O 3.52Å; W1968-Y2465 WeakPolarHBondContact CA-O 3.26Å; W1968-R2466 HydrophobicContact CD2-CB 4.42Å; W1968-R2466 HydrophobicContact CD2-CG 4.48Å; W1968-R2466 HydrophobicContact CE3-CB 4.29Å; W1968-R2466 HydrophobicContact CE3-CG 4.4Å; W1968-R2466 HydrophobicContact CH2-CG 4.29Å; W1968-R2466 HydrophobicContact CZ2-CG 4.43Å; W1968-R2466 HydrophobicContact CZ3-CG 4.29Å |
| 1969 | I | 56.2 | Low | 54.3 | Low | 36.4 Ų | 36.4 | 80.4 Ų | 80.4 | 19% | 0.187 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.9 | 177.7 | -60.3 | 171.3 | 0 | 0 | 0 | 107.6 | Y1953 P1967 V1971 V1996 I1998 Y2011 G2013 C2464 Y2465 | Y1953-I1969 WeakPolarHBondContact CD1-O 3.39Å; P1967-I1969 VanDerWaalsContact C-N 3.27Å; P1967-I1969 HydrophobicContact CG-CG1 4.44Å; P1967-I1969 PolarHBondContact O-N 3.09Å; I1969-V1971 HydrophobicContact CG2-CG2 3.61Å; I1969-V1971 PolarHBondContact O-N 3.07Å; I1969-V1996 HydrophobicContact CD1-CG2 3.95Å; I1969-I1998 HydrophobicContact CG2-CD1 4.48Å; I1969-Y2011 VanDerWaalsContact CD1-O 3.29Å; I1969-Y2011 WeakPolarHBondContact CD1-O 3.3Å; I1969-G2013 VanDerWaalsContact CG2-CA 3.4Å; I1969-C2464 CarbonylContact O-C 3.54Å; I1969-C2464 WeakPolarHBondContact O-CA 3.37Å; I1969-Y2465 HydrophobicContact CB-CD1 4.28Å; I1969-Y2465 HydrophobicContact CB-CE1 3.85Å; I1969-Y2465 HydrophobicContact CB-CE2 4.27Å; I1969-Y2465 HydrophobicContact CD1-CE2 3.75Å; I1969-Y2465 HydrophobicContact CG1-CE2 4.46Å; I1969-Y2465 HydrophobicContact CG2-CD1 4.48Å; I1969-Y2465 HydrophobicContact CG2-CE1 3.68Å; I1969-Y2465 PolarHBondContact N-O 2.93Å; I1969-Y2465 PolarHBondContact O-N 3.29Å |
| 1970 | D | 58.2 | Low | 53.8 | Low | 103.8 Ų | 103.8 | 86 Ų | 86 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 109.6 | 177.1 | -101.9 | -0.2 | 0 | 0 | 0 | 109.1 | W1968 K1972 K2299 C2464 | W1968-D1970 VanDerWaalsContact C-N 3.25Å; W1968-D1970 PolarHBondContact O-N 3.05Å; D1970-K1972 PolarHBondContact O-N 3.03Å; D1970-K1972 WeakPolarHBondContact OD1-CG 3.31Å; D1970-K1972 WeakPolarHBondContact OD2-CE 3.37Å; D1970-K2299 IonicContact OD1-NZ 3.71Å; D1970-K2299 IonicContact OD2-NZ 3.95Å; D1970-K2299 PolarHBondContact OD2-NZ 3.4Å; D1970-C2464 VanDerWaalsContact OD1-CB 3.25Å; D1970-C2464 WeakPolarHBondContact OD1-CB 3.43Å; D1970-C2464 PolarHBondContact OD1-SG 3.41Å |
| 1971 | V | 58 | Low | 53.6 | Low | 31.8 Ų | 31.8 | 82.3 Ų | 82.3 | 19% | 0.193 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.1 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | I1969 P1973 I1998 W2000 I2008 F2463 Y2465 | I1969-V1971 HydrophobicContact CG2-CG2 3.61Å; I1969-V1971 PolarHBondContact O-N 3.07Å; V1971-P1973 WeakPolarHBondContact O-CD 3.06Å; V1971-I1998 HydrophobicContact CB-CD1 4.49Å; V1971-I1998 HydrophobicContact CG1-CD1 4.01Å; V1971-I1998 HydrophobicContact CG2-CD1 4.24Å; V1971-W2000 HydrophobicContact CB-CH2 4.22Å; V1971-W2000 HydrophobicContact CB-CZ2 4.15Å; V1971-W2000 HydrophobicContact CG1-CH2 4.09Å; V1971-W2000 HydrophobicContact CG1-CZ2 3.59Å; V1971-I2008 HydrophobicContact CG1-CD1 4.34Å; V1971-I2008 HydrophobicContact CG1-CG2 4.05Å; V1971-I2008 HydrophobicContact CG2-CD1 3.66Å; V1971-F2463 HydrophobicContact CB-CD1 4.05Å; V1971-F2463 HydrophobicContact CG2-CD1 3.98Å; V1971-F2463 HydrophobicContact CG2-CE1 4.28Å; V1971-F2463 PolarHBondContact N-O 2.82Å; V1971-Y2465 HydrophobicContact CG2-CD1 3.74Å; V1971-Y2465 HydrophobicContact CG2-CE1 3.51Å |
| 1972 | K | 60.5 | Low | 54.3 | Low | 173.6 Ų | 173.6 | 80.7 Ų | 80.7 | 76% | 0.755 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 130.5 | 171.3 | -67.7 | -174.3 | 179.7 | 179.7 | 0 | 109.3 | D1970 | D1970-K1972 PolarHBondContact O-N 3.03Å; D1970-K1972 WeakPolarHBondContact OD1-CG 3.31Å; D1970-K1972 WeakPolarHBondContact OD2-CE 3.37Å |
| 1973 | P | 57.7 | Low | 55 | Low | 61.2 Ų | 61.2 | 80.2 Ų | 80.2 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 143.9 | 170.7 | 25.6 | -32.1 | 0 | 0 | 0 | 109.3 | V1971 Q1975 M1982 W2000 | V1971-P1973 WeakPolarHBondContact O-CD 3.06Å; P1973-Q1975 PolarHBondContact O-N 3.01Å; P1973-M1982 HydrophobicContact CB-CB 4.14Å; P1973-M1982 HydrophobicContact CB-CG 4.38Å; P1973-W2000 HydrophobicContact CB-CE3 4.4Å; P1973-W2000 HydrophobicContact CB-CH2 3.94Å; P1973-W2000 HydrophobicContact CB-CZ2 4.31Å; P1973-W2000 HydrophobicContact CB-CZ3 3.84Å |
| 1974 | P | 57.1 | Low | 56.2 | Low | 34 Ų | 34 | 80.7 Ų | 80.7 | 22% | 0.221 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 128.1 | 170.8 | 23.3 | -30.2 | 0 | 0 | 0 | 108.6 | I1976 M1982 T2006 Y2018 | P1974-I1976 HydrophobicContact CG-CG1 4.4Å; P1974-I1976 PolarHBondContact O-N 3Å; P1974-I1976 VanDerWaalsContact O-N 3.16Å; P1974-M1982 HydrophobicContact CG-CB 4.1Å; P1974-M1982 HydrophobicContact CG-CE 4.11Å; P1974-M1982 HydrophobicContact CG-CG 3.99Å; P1974-T2006 HydrophobicContact CG-CG2 4.05Å; P1974-Y2018 HydrophobicContact CB-CD2 4.18Å; P1974-Y2018 HydrophobicContact CB-CE2 3.9Å; P1974-Y2018 HydrophobicContact CG-CD2 3.93Å; P1974-Y2018 HydrophobicContact CG-CE2 3.58Å; P1974-Y2018 VanDerWaalsContact CG-CE2 3.46Å |
| 1975 | Q | 53.9 | Low | 57.6 | Low | 197.6 Ų | 197.6 | 80.5 Ų | 80.5 | 92% | 0.923 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 117.5 | 178.4 | -75.4 | -166.7 | -26.5 | 0 | 0 | 109.5 | P1973 D1977 | P1973-Q1975 PolarHBondContact O-N 3.01Å; Q1975-D1977 PolarHBondContact O-N 2.84Å |
| 1976 | I | 49.8 | Very low | 58.9 | Low | 75.6 Ų | 75.6 | 81.6 Ų | 81.6 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | trans | -120.1 | 124.4 | 169.2 | -57.5 | 171.2 | 0 | 0 | 0 | 106.6 | P1974 S1978 M1982 Y2018 | P1974-I1976 HydrophobicContact CG-CG1 4.4Å; P1974-I1976 PolarHBondContact O-N 3Å; P1974-I1976 VanDerWaalsContact O-N 3.16Å; I1976-S1978 VanDerWaalsContact CG2-C 3.47Å; I1976-S1978 WeakPolarHBondContact CG2-O 3.45Å; I1976-S1978 VanDerWaalsContact CG2-OG 3.32Å; I1976-S1978 WeakPolarHBondContact CG2-OG 3.42Å; I1976-S1978 PolarHBondContact O-N 3.15Å; I1976-M1982 HydrophobicContact CD1-SD 4.42Å; I1976-Y2018 VanDerWaalsContact CD1-OH 3.31Å; I1976-Y2018 WeakPolarHBondContact CD1-OH 3.31Å | ||
| 1977 | D | 49 | Very low | 60.3 | Low | 173.6 Ų | 173.6 | 81.9 Ų | 81.9 | 93% | 0.928 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -63.6 | 16.6 | 177.6 | -72.8 | -33.5 | 0 | 0 | 0 | 113.6 | Q1975 G1979 | Q1975-D1977 PolarHBondContact O-N 2.84Å; D1977-G1979 PolarHBondContact O-N 3.36Å |
| 1978 | S | 48.5 | Very low | 61.6 | Low | 76.2 Ų | 76.2 | 79.1 Ų | 79.1 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -81.5 | 117.7 | 175.7 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | I1976 N1980 | I1976-S1978 VanDerWaalsContact CG2-C 3.47Å; I1976-S1978 WeakPolarHBondContact CG2-O 3.45Å; I1976-S1978 VanDerWaalsContact CG2-OG 3.32Å; I1976-S1978 WeakPolarHBondContact CG2-OG 3.42Å; I1976-S1978 PolarHBondContact O-N 3.15Å; S1978-N1980 VanDerWaalsContact C-N 3.29Å; S1978-N1980 PolarHBondContact O-N 3.31Å |
| 1979 | G | 53.2 | Low | 62.7 | Low | 86 Ų | 86 | 77.6 Ų | 77.6 | 89% | 0.887 | 43% | 0.427 | S | S | * | . | trans | -48.7 | 11.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | D1977 | D1977-G1979 PolarHBondContact O-N 3.36Š| ||
| 1980 | N | 55.9 | Low | 63.6 | Low | 134.2 Ų | 134.2 | 76 Ų | 76 | 72% | 0.718 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -87.2 | 130.5 | 176 | -78.3 | -8.4 | 0 | 0 | 0 | 110.6 | S1978 M1982 | S1978-N1980 VanDerWaalsContact C-N 3.29Å; S1978-N1980 PolarHBondContact O-N 3.31Å; N1980-M1982 PolarHBondContact O-N 3.12Å; N1980-M1982 VanDerWaalsContact O-N 3.16Å |
| 1981 | C | 58.3 | Low | 64.1 | Low | 80 Ų | 80 | 73.2 Ų | 73.2 | 54% | 0.541 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 117.6 | 176.2 | -149.1 | 0 | 0 | 0 | 0 | 110.4 | N2001 V2459 | C1981-N2001 PolarHBondContact O-ND2 3.15Å; C1981-N2001 VanDerWaalsContact O-ND2 3.13Å; C1981-V2459 PolarHBondContact SG-O 2.97Å |
| 1982 | M | 66.7 | Low | 64.6 | Low | 35.4 Ų | 35.4 | 73.1 Ų | 73.1 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 133.4 | 172.7 | -75.1 | -104.8 | -28.5 | 0 | 0 | 109.9 | P1973 P1974 I1976 N1980 W2000 N2001 N2002 | P1973-M1982 HydrophobicContact CB-CB 4.14Å; P1973-M1982 HydrophobicContact CB-CG 4.38Å; P1974-M1982 HydrophobicContact CG-CB 4.1Å; P1974-M1982 HydrophobicContact CG-CE 4.11Å; P1974-M1982 HydrophobicContact CG-CG 3.99Å; I1976-M1982 HydrophobicContact CD1-SD 4.42Å; N1980-M1982 PolarHBondContact O-N 3.12Å; N1980-M1982 VanDerWaalsContact O-N 3.16Å; M1982-W2000 HydrophobicContact CB-CE3 4.36Å; M1982-W2000 HydrophobicContact CE-CB 3.68Å; M1982-W2000 HydrophobicContact CE-CD2 4.05Å; M1982-W2000 HydrophobicContact CE-CE3 4.09Å; M1982-W2000 HydrophobicContact CE-CG 3.89Å; M1982-N2001 WeakPolarHBondContact CA-OD1 3.27Å; M1982-N2001 PolarHBondContact SD-OD1 3.19Å; M1982-N2001 VanDerWaalsContact SD-OD1 3.4Å; M1982-N2002 HydrophobicContact CE-CB 4.2Å; M1982-N2002 VanDerWaalsContact CE-CG 3.46Å; M1982-N2002 WeakPolarHBondContact CE-ND2 3.34Å; M1982-N2002 VanDerWaalsContact CE-OD1 3.3Å; M1982-N2002 WeakPolarHBondContact CE-OD1 3.28Å; M1982-N2002 HydrophobicContact SD-CB 3.71Å; M1982-N2002 VanDerWaalsContact SD-CG 3.57Å; M1982-N2002 PolarHBondContact SD-ND2 3.22Å; M1982-N2002 VanDerWaalsContact SD-ND2 3.4Å |
| 1983 | Y | 69.1 | Low | 64.9 | Low | 105.4 Ų | 105.4 | 66.2 Ų | 66.2 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | trans | -140.1 | 150.8 | 174.4 | 59.9 | -95.7 | 0 | 0 | 0 | 111.5 | T1985 N2001 Q2461 | Y1983-T1985 HydrophobicContact CD2-CG2 4.08Å; Y1983-T1985 HydrophobicContact CE2-CG2 3.76Å; Y1983-T1985 PolarHBondContact O-N 2.96Å; Y1983-N2001 HydrophobicContact CD1-CB 4.09Å; Y1983-N2001 VanDerWaalsContact CD1-ND2 3.3Å; Y1983-N2001 WeakPolarHBondContact CD1-ND2 3.41Å; Y1983-N2001 HydrophobicContact CD2-CB 3.91Å; Y1983-N2001 HydrophobicContact CE1-CB 3.79Å; Y1983-N2001 WeakPolarHBondContact CE1-ND2 3.29Å; Y1983-N2001 HydrophobicContact CE2-CB 3.6Å; Y1983-N2001 HydrophobicContact CG-CB 4.14Å; Y1983-N2001 VanDerWaalsContact CZ-CB 3.47Å; Y1983-N2001 PolarHBondContact N-OD1 3.36Å; Y1983-N2001 PolarHBondContact O-N 3.15Å; Y1983-N2001 VanDerWaalsContact O-N 3.09Å; Y1983-N2001 PolarHBondContact O-OD1 2.77Å; Y1983-Q2461 VanDerWaalsContact CG-OE1 3.31Å | ||
| 1984 | V | 75.2 | Confident | 65.4 | Low | 26.8 Ų | 26.8 | 65.5 Ų | 65.5 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 128.1 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | V1987 I1998 G1999 W2000 K2447 F2463 | V1984-V1987 HydrophobicContact CG1-CG2 3.52Å; V1984-V1987 VanDerWaalsContact CG1-CG2 3.47Å; V1984-I1998 HydrophobicContact CB-CG2 4.26Å; V1984-I1998 HydrophobicContact CG1-CG2 3.73Å; V1984-I1998 HydrophobicContact CG2-CG2 3.64Å; V1984-G1999 CarbonylContact C-O 3.51Å; V1984-G1999 WeakPolarHBondContact CA-O 3.2Å; V1984-W2000 HydrophobicContact CB-CZ3 4.47Å; V1984-W2000 HydrophobicContact CG2-CD2 4.49Å; V1984-W2000 HydrophobicContact CG2-CE3 3.98Å; V1984-W2000 HydrophobicContact CG2-CH2 3.81Å; V1984-W2000 HydrophobicContact CG2-CZ2 4.4Å; V1984-W2000 HydrophobicContact CG2-CZ3 3.56Å; V1984-W2000 VanDerWaalsContact CG2-CZ3 3.44Å; V1984-K2447 PolarHBondContact O-NZ 2.94Å; V1984-F2463 HydrophobicContact CB-CD2 4.49Å; V1984-F2463 HydrophobicContact CG2-CB 3.76Å; V1984-F2463 HydrophobicContact CG2-CD1 4.37Å; V1984-F2463 HydrophobicContact CG2-CD2 4.3Å; V1984-F2463 HydrophobicContact CG2-CG 4.09Å |
| 1985 | T | 76.8 | Confident | 66.4 | Low | 37.4 Ų | 37.4 | 64 Ų | 64 | 23% | 0.229 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -33.3 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | Y1983 G1999 W2000 N2001 P2028 I2029 | Y1983-T1985 HydrophobicContact CD2-CG2 4.08Å; Y1983-T1985 HydrophobicContact CE2-CG2 3.76Å; Y1983-T1985 PolarHBondContact O-N 2.96Å; T1985-G1999 PolarHBondContact N-O 3.12Å; T1985-G1999 PolarHBondContact OG1-O 3.2Å; T1985-G1999 VanDerWaalsContact OG1-O 3.1Å; T1985-W2000 PolarHBondContact OG1-O 3.48Å; T1985-N2001 VanDerWaalsContact CG2-CA 3.43Å; T1985-N2001 HydrophobicContact CG2-CB 3.77Å; T1985-P2028 HydrophobicContact CG2-CB 4.12Å; T1985-I2029 WeakPolarHBondContact CB-O 3.37Å; T1985-I2029 PolarHBondContact OG1-O 3.04Å |
| 1986 | Y | 76.5 | Confident | 67.6 | Low | 85.8 Ų | 85.8 | 55 Ų | 55 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 151.4 | -179.5 | -155.8 | -92.2 | 0 | 0 | 0 | 111.1 | A1988 G1999 Q2030 C2031 I2032 | Y1986-A1988 HydrophobicContact CD1-CB 4.37Å; Y1986-A1988 HydrophobicContact CE1-CB 4.28Å; Y1986-G1999 PolarHBondContact N-O 3.15Å; Y1986-G1999 PolarHBondContact O-N 3.23Å; Y1986-Q2030 VanDerWaalsContact CD2-O 3.26Å; Y1986-Q2030 WeakPolarHBondContact CD2-O 3.38Å; Y1986-C2031 HydrophobicContact CE2-CB 4.41Å; Y1986-I2032 HydrophobicContact CD1-CB 3.85Å; Y1986-I2032 HydrophobicContact CD1-CD1 4.31Å; Y1986-I2032 HydrophobicContact CD1-CG1 4.09Å; Y1986-I2032 VanDerWaalsContact CD1-N 3.31Å; Y1986-I2032 HydrophobicContact CE1-CB 4.25Å; Y1986-I2032 VanDerWaalsContact CE1-O 3.27Å; Y1986-I2032 WeakPolarHBondContact CE1-O 3.36Å |
| 1987 | V | 79.3 | Confident | 69.2 | Low | 27.6 Ų | 27.6 | 51.4 Ų | 51.4 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.3 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | V1984 V1996 L1997 I1998 F2316 M2318 F2319 F2463 | V1984-V1987 HydrophobicContact CG1-CG2 3.52Å; V1984-V1987 VanDerWaalsContact CG1-CG2 3.47Å; V1987-V1996 HydrophobicContact CG1-CG1 3.33Å; V1987-V1996 VanDerWaalsContact CG1-CG1 3.42Å; V1987-L1997 CarbonylContact C-O 3.55Å; V1987-L1997 VanDerWaalsContact CA-O 3.3Å; V1987-L1997 WeakPolarHBondContact CA-O 3.23Å; V1987-I1998 HydrophobicContact CG1-CG1 4.26Å; V1987-I1998 HydrophobicContact CG2-CG1 4.3Å; V1987-I1998 HydrophobicContact CG2-CG2 4.36Å; V1987-F2316 HydrophobicContact CB-CD2 4.22Å; V1987-F2316 HydrophobicContact CB-CE2 4.14Å; V1987-F2316 HydrophobicContact CG1-CE2 4.13Å; V1987-F2316 HydrophobicContact CG2-CD2 4.21Å; V1987-F2316 HydrophobicContact CG2-CE2 4Å; V1987-F2316 HydrophobicContact CG2-CZ 4.21Å; V1987-M2318 HydrophobicContact CB-CE 4.45Å; V1987-M2318 HydrophobicContact CG1-CE 3.56Å; V1987-M2318 HydrophobicContact CG1-SD 4.17Å; V1987-F2319 HydrophobicContact CB-CE1 4.45Å; V1987-F2319 HydrophobicContact CB-CE2 4.11Å; V1987-F2319 HydrophobicContact CB-CZ 3.57Å; V1987-F2319 HydrophobicContact CG1-CE1 4.35Å; V1987-F2319 HydrophobicContact CG1-CE2 3.65Å; V1987-F2319 HydrophobicContact CG1-CZ 3.5Å; V1987-F2319 WeakPolarHBondContact O-CE1 3.07Å; V1987-F2319 VanDerWaalsContact O-CZ 3.26Å; V1987-F2319 WeakPolarHBondContact O-CZ 3.39Å; V1987-F2463 HydrophobicContact CG1-CZ 4.22Å; V1987-F2463 HydrophobicContact CG2-CE2 4.08Å; V1987-F2463 HydrophobicContact CG2-CZ 3.95Å |
| 1988 | A | 78.6 | Confident | 70.8 | Confident | 9.2 Ų | 9.2 | 43.4 Ų | 43.4 | 8% | 0.076 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1986 L1997 I2032 M2318 | Y1986-A1988 HydrophobicContact CD1-CB 4.37Å; Y1986-A1988 HydrophobicContact CE1-CB 4.28Å; A1988-L1997 HydrophobicContact CB-CB 4.43Å; A1988-L1997 PolarHBondContact N-O 3.15Å; A1988-L1997 WeakPolarHBondContact O-CA 3.39Å; A1988-L1997 WeakPolarHBondContact O-CB 3.37Å; A1988-L1997 PolarHBondContact O-N 2.99Å; A1988-I2032 HydrophobicContact CB-CB 3.85Å; A1988-I2032 HydrophobicContact CB-CG2 3.79Å; A1988-M2318 VanDerWaalsContact CA-SD 3.51Å |
| 1989 | M | 78.1 | Confident | 72.5 | Confident | 37.4 Ų | 37.4 | 39.8 Ų | 39.8 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 144 | 176.3 | -164.7 | 115.3 | 72.4 | 0 | 0 | 110.5 | A1993 H1995 V1996 T2010 S2034 M2318 F2319 Y2320 A2321 V2443 | M1989-A1993 HydrophobicContact CE-CB 4.47Å; M1989-H1995 WeakPolarHBondContact CG-O 3.42Å; M1989-H1995 VanDerWaalsContact SD-O 3.4Å; M1989-V1996 HydrophobicContact CE-CG2 3.62Å; M1989-V1996 HydrophobicContact CG-CG2 4.21Å; M1989-V1996 HydrophobicContact SD-CB 4.37Å; M1989-V1996 HydrophobicContact SD-CG2 3.84Å; M1989-V1996 WeakPolarHBondContact SD-CG2 3.47Å; M1989-T2010 HydrophobicContact CE-CG2 3.93Å; M1989-T2010 HydrophobicContact SD-CG2 4.02Å; M1989-T2010 VanDerWaalsContact SD-CG2 3.57Å; M1989-S2034 PolarHBondContact O-OG 3.3Å; M1989-S2034 VanDerWaalsContact O-OG 3.05Å; M1989-M2318 HydrophobicContact CB-CE 4Å; M1989-M2318 HydrophobicContact CB-SD 4.35Å; M1989-F2319 HydrophobicContact CB-CB 4.08Å; M1989-F2319 HydrophobicContact CB-CD1 4.12Å; M1989-F2319 HydrophobicContact CB-CG 4.12Å; M1989-F2319 HydrophobicContact CE-CB 3.8Å; M1989-F2319 HydrophobicContact SD-CB 3.97Å; M1989-Y2320 HydrophobicContact CB-CD2 4.49Å; M1989-Y2320 HydrophobicContact CE-CD1 4.12Å; M1989-Y2320 HydrophobicContact CE-CD2 4.04Å; M1989-Y2320 HydrophobicContact CE-CG 3.49Å; M1989-Y2320 VanDerWaalsContact CE-CG 3.49Å; M1989-Y2320 WeakPolarHBondContact CE-O 3.44Å; M1989-A2321 VanDerWaalsContact CE-CA 3.49Å; M1989-A2321 HydrophobicContact CE-CB 3.69Å; M1989-A2321 VanDerWaalsContact CE-N 3.29Å; M1989-V2443 HydrophobicContact CE-CG2 4.11Å; M1989-V2443 HydrophobicContact SD-CB 4.38Å; M1989-V2443 HydrophobicContact SD-CG2 3.72Å |
| 1990 | L | 75.6 | Confident | 74 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | trans | -73.4 | 153.2 | 169.8 | -86.2 | 156.4 | 0 | 0 | 0 | 110.8 | S1992 A1993 H1995 L1997 Y2046 I2048 | L1990-S1992 PolarHBondContact O-N 3.08Å; L1990-S1992 VanDerWaalsContact O-N 3.09Å; L1990-A1993 PolarHBondContact O-N 3Å; L1990-H1995 HydrophobicContact CB-CB 4.26Å; L1990-H1995 HydrophobicContact CD1-CB 3.56Å; L1990-H1995 VanDerWaalsContact CD1-CB 3.45Å; L1990-H1995 HydrophobicContact CG-CB 4.29Å; L1990-H1995 PolarHBondContact N-O 3.12Å; L1990-L1997 HydrophobicContact CD1-CD1 3.56Å; L1990-L1997 HydrophobicContact CD1-CD2 4.12Å; L1990-L1997 HydrophobicContact CD1-CG 4.16Å; L1990-L1997 HydrophobicContact CD2-CD1 4.22Å; L1990-L1997 HydrophobicContact CD2-CG 4.35Å; L1990-L1997 HydrophobicContact CG-CD1 4.3Å; L1990-L1997 HydrophobicContact CG-CD2 4.42Å; L1990-L1997 HydrophobicContact CG-CG 4.24Å; L1990-Y2046 HydrophobicContact CD1-CD2 4.36Å; L1990-Y2046 HydrophobicContact CD2-CD2 4.19Å; L1990-Y2046 HydrophobicContact CD2-CG 4.14Å; L1990-I2048 HydrophobicContact CD2-CD1 3.98Å; L1990-I2048 HydrophobicContact CD2-CG1 4.01Å | ||
| 1991 | P | 68.7 | Low | 75.3 | Confident | 46.2 Ų | 46.2 | 31.4 Ų | 31.4 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.2 | -179.2 | -21.8 | 34.6 | 0 | 0 | 0 | 114.4 | A1993 S2034 Y2046 Y2320 | P1991-A1993 VanDerWaalsContact C-N 3.3Å; P1991-A1993 PolarHBondContact O-N 2.84Å; P1991-S2034 WeakPolarHBondContact CD-OG 3.32Å; P1991-Y2046 HydrophobicContact CB-CD1 4.26Å; P1991-Y2046 HydrophobicContact CB-CE1 3.92Å; P1991-Y2046 HydrophobicContact CG-CD1 3.79Å; P1991-Y2046 HydrophobicContact CG-CE1 3.98Å; P1991-Y2320 WeakPolarHBondContact CA-OH 3.49Å; P1991-Y2320 PolarHBondContact O-OH 2.74Å |
| 1992 | S | 67.5 | Low | 76.4 | Confident | 29.6 Ų | 29.6 | 29.5 Ų | 29.5 | 21% | 0.207 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.9 | 171.8 | 66.1 | 0 | 0 | 0 | 0 | 114 | L1990 E1994 H1995 Y2046 | L1990-S1992 PolarHBondContact O-N 3.08Å; L1990-S1992 VanDerWaalsContact O-N 3.09Å; S1992-E1994 WeakPolarHBondContact O-CG 3.29Å; S1992-E1994 PolarHBondContact O-N 3.01Å; S1992-E1994 VanDerWaalsContact O-N 3.13Å; S1992-E1994 PolarHBondContact OG-N 2.98Å; S1992-E1994 PolarHBondContact OG-OE2 3.04Å; S1992-H1995 PolarHBondContact OG-ND1 3.42Å; S1992-Y2046 VanDerWaalsContact CB-OH 3.27Å; S1992-Y2046 WeakPolarHBondContact CB-OH 3.48Å |
| 1993 | A | 66.5 | Low | 77.2 | Confident | 27.8 Ų | 27.8 | 27.9 Ų | 27.9 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 59.8 | 2.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1989 L1990 P1991 T2010 Y2320 A2321 | M1989-A1993 HydrophobicContact CE-CB 4.47Å; L1990-A1993 PolarHBondContact O-N 3Å; P1991-A1993 VanDerWaalsContact C-N 3.3Å; P1991-A1993 PolarHBondContact O-N 2.84Å; A1993-T2010 WeakPolarHBondContact O-CB 3.39Å; A1993-T2010 VanDerWaalsContact O-CG2 3.31Å; A1993-T2010 WeakPolarHBondContact O-CG2 3.46Å; A1993-T2010 PolarHBondContact O-OG1 3.02Å; A1993-Y2320 HydrophobicContact CB-CD1 3.4Å; A1993-Y2320 VanDerWaalsContact CB-CD1 3.4Å; A1993-Y2320 HydrophobicContact CB-CE1 3.45Å; A1993-Y2320 VanDerWaalsContact CB-CE1 3.45Å; A1993-Y2320 HydrophobicContact CB-CG 4.41Å; A1993-A2321 VanDerWaalsContact CB-CA 3.46Å; A1993-A2321 HydrophobicContact CB-CB 3.41Å |
| 1994 | E | 68.4 | Low | 78.1 | Confident | 47 Ų | 47 | 23 Ų | 23 | 22% | 0.22 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -89.3 | -19.4 | -179.5 | -69.7 | 168.6 | 166.7 | 0 | 0 | 113 | S1992 H2009 T2010 Y2011 N2081 | S1992-E1994 WeakPolarHBondContact O-CG 3.29Å; S1992-E1994 PolarHBondContact O-N 3.01Å; S1992-E1994 VanDerWaalsContact O-N 3.13Å; S1992-E1994 PolarHBondContact OG-N 2.98Å; S1992-E1994 PolarHBondContact OG-OE2 3.04Å; E1994-H2009 CarbonylContact O-C 3.51Å; E1994-H2009 WeakPolarHBondContact O-CA 3.26Å; E1994-H2009 PolarHBondContact O-CD2 3.06Å; E1994-H2009 VanDerWaalsContact O-CD2 3.27Å; E1994-T2010 VanDerWaalsContact C-CG2 3.45Å; E1994-T2010 VanDerWaalsContact C-OG1 3.27Å; E1994-T2010 VanDerWaalsContact CA-OG1 3.25Å; E1994-T2010 WeakPolarHBondContact CA-OG1 3.29Å; E1994-T2010 WeakPolarHBondContact O-CB 3.4Å; E1994-T2010 WeakPolarHBondContact O-CG2 3.44Å; E1994-T2010 PolarHBondContact O-N 3.15Å; E1994-T2010 PolarHBondContact O-OG1 3.19Å; E1994-T2010 VanDerWaalsContact O-OG1 3.12Å; E1994-Y2011 HydrophobicContact CG-CE2 4.22Å; E1994-N2081 VanDerWaalsContact CD-ND2 3.33Å; E1994-N2081 VanDerWaalsContact OE1-CB 3.26Å; E1994-N2081 WeakPolarHBondContact OE1-CB 3.29Å; E1994-N2081 VanDerWaalsContact OE1-CG 3.23Å; E1994-N2081 PolarHBondContact OE1-ND2 2.82Å; E1994-N2081 VanDerWaalsContact OE2-CB 3.24Å; E1994-N2081 WeakPolarHBondContact OE2-CB 2.9Å; E1994-N2081 PolarHBondContact OE2-ND2 2.9Å |
| 1995 | H | 78.2 | Confident | 78.6 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.7 | -171 | -57 | 73 | 0 | 0 | 0 | 111.6 | M1989 L1990 S1992 V2007 I2008 T2010 I2016 | M1989-H1995 WeakPolarHBondContact CG-O 3.42Å; M1989-H1995 VanDerWaalsContact SD-O 3.4Å; L1990-H1995 HydrophobicContact CB-CB 4.26Å; L1990-H1995 HydrophobicContact CD1-CB 3.56Å; L1990-H1995 VanDerWaalsContact CD1-CB 3.45Å; L1990-H1995 HydrophobicContact CG-CB 4.29Å; L1990-H1995 PolarHBondContact N-O 3.12Å; S1992-H1995 PolarHBondContact OG-ND1 3.42Å; H1995-V2007 HydrophobicContact CB-CG1 3.98Å; H1995-I2008 CarbonylContact C-O 3.54Å; H1995-I2008 VanDerWaalsContact CA-O 3.3Å; H1995-I2008 WeakPolarHBondContact CA-O 3.41Å; H1995-T2010 PolarHBondContact N-OG1 3.28Å; H1995-I2016 WeakPolarHBondContact CD2-CD1 3.34Å; H1995-I2016 WeakPolarHBondContact NE2-CD1 3.33Å |
| 1996 | V | 80.2 | Confident | 79.1 | Confident | 7.4 Ų | 7.4 | 20.2 Ų | 20.2 | 5% | 0.045 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.9 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | I1969 V1987 M1989 I1998 V2007 I2008 T2010 M2318 | I1969-V1996 HydrophobicContact CD1-CG2 3.95Å; V1987-V1996 HydrophobicContact CG1-CG1 3.33Å; V1987-V1996 VanDerWaalsContact CG1-CG1 3.42Å; M1989-V1996 HydrophobicContact CE-CG2 3.62Å; M1989-V1996 HydrophobicContact CG-CG2 4.21Å; M1989-V1996 HydrophobicContact SD-CB 4.37Å; M1989-V1996 HydrophobicContact SD-CG2 3.84Å; M1989-V1996 WeakPolarHBondContact SD-CG2 3.47Å; V1996-I1998 HydrophobicContact CG1-CD1 4.43Å; V1996-I1998 HydrophobicContact CG1-CG1 4.08Å; V1996-V2007 CarbonylContact O-C 3.52Å; V1996-V2007 VanDerWaalsContact O-CA 3.27Å; V1996-V2007 WeakPolarHBondContact O-CA 3.4Å; V1996-I2008 HydrophobicContact CB-CD1 4.19Å; V1996-I2008 HydrophobicContact CB-CG1 3.75Å; V1996-I2008 HydrophobicContact CG1-CG1 4.42Å; V1996-I2008 PolarHBondContact N-O 2.93Å; V1996-I2008 WeakPolarHBondContact O-CG1 3.48Å; V1996-I2008 PolarHBondContact O-N 2.98Å; V1996-T2010 HydrophobicContact CG2-CG2 3.91Å; V1996-T2010 VanDerWaalsContact CG2-CG2 3.46Å; V1996-M2318 HydrophobicContact CG1-CE 4.09Å |
| 1997 | L | 83.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.6 | 171.1 | -56.6 | 175.5 | 0 | 0 | 0 | 109 | V1987 A1988 L1990 L2005 T2006 V2007 I2032 I2048 F2088 | V1987-L1997 CarbonylContact C-O 3.55Å; V1987-L1997 VanDerWaalsContact CA-O 3.3Å; V1987-L1997 WeakPolarHBondContact CA-O 3.23Å; A1988-L1997 HydrophobicContact CB-CB 4.43Å; A1988-L1997 PolarHBondContact N-O 3.15Å; A1988-L1997 WeakPolarHBondContact O-CA 3.39Å; A1988-L1997 WeakPolarHBondContact O-CB 3.37Å; A1988-L1997 PolarHBondContact O-N 2.99Å; L1990-L1997 HydrophobicContact CD1-CD1 3.56Å; L1990-L1997 HydrophobicContact CD1-CD2 4.12Å; L1990-L1997 HydrophobicContact CD1-CG 4.16Å; L1990-L1997 HydrophobicContact CD2-CD1 4.22Å; L1990-L1997 HydrophobicContact CD2-CG 4.35Å; L1990-L1997 HydrophobicContact CG-CD1 4.3Å; L1990-L1997 HydrophobicContact CG-CD2 4.42Å; L1990-L1997 HydrophobicContact CG-CG 4.24Å; L1997-L2005 HydrophobicContact CB-CD1 4.21Å; L1997-T2006 CarbonylContact C-O 3.49Å; L1997-T2006 WeakPolarHBondContact CA-O 3.22Å; L1997-V2007 HydrophobicContact CD2-CB 4.27Å; L1997-V2007 HydrophobicContact CD2-CG1 4Å; L1997-V2007 HydrophobicContact CD2-CG2 3.6Å; L1997-I2032 HydrophobicContact CB-CG2 4.39Å; L1997-I2032 HydrophobicContact CD1-CG2 3.9Å; L1997-I2048 HydrophobicContact CD1-CB 4.46Å; L1997-I2048 HydrophobicContact CD1-CD1 3.91Å; L1997-I2048 HydrophobicContact CD1-CG1 4Å; L1997-I2048 HydrophobicContact CD1-CG2 3.65Å; L1997-I2048 HydrophobicContact CD2-CD1 4.19Å; L1997-F2088 HydrophobicContact CD2-CZ 4.34Å |
| 1998 | I | 83 | Confident | 79.5 | Confident | 6.2 Ų | 6.2 | 15.4 Ų | 15.4 | 3% | 0.032 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.7 | 178.2 | -61 | 175.1 | 0 | 0 | 0 | 107.8 | I1969 V1971 V1984 V1987 V1996 W2000 L2005 T2006 I2008 F2463 | I1969-I1998 HydrophobicContact CG2-CD1 4.48Å; V1971-I1998 HydrophobicContact CB-CD1 4.49Å; V1971-I1998 HydrophobicContact CG1-CD1 4.01Å; V1971-I1998 HydrophobicContact CG2-CD1 4.24Å; V1984-I1998 HydrophobicContact CB-CG2 4.26Å; V1984-I1998 HydrophobicContact CG1-CG2 3.73Å; V1984-I1998 HydrophobicContact CG2-CG2 3.64Å; V1987-I1998 HydrophobicContact CG1-CG1 4.26Å; V1987-I1998 HydrophobicContact CG2-CG1 4.3Å; V1987-I1998 HydrophobicContact CG2-CG2 4.36Å; V1996-I1998 HydrophobicContact CG1-CD1 4.43Å; V1996-I1998 HydrophobicContact CG1-CG1 4.08Å; I1998-W2000 HydrophobicContact CG2-CD2 4.32Å; I1998-W2000 HydrophobicContact CG2-CH2 4.3Å; I1998-W2000 HydrophobicContact CG2-CZ2 3.86Å; I1998-L2005 CarbonylContact O-C 3.57Å; I1998-L2005 WeakPolarHBondContact O-CA 3.35Å; I1998-T2006 WeakPolarHBondContact CB-OG1 3.39Å; I1998-T2006 PolarHBondContact N-O 3.08Å; I1998-T2006 PolarHBondContact O-N 2.89Å; I1998-T2006 PolarHBondContact O-OG1 3.06Å; I1998-I2008 HydrophobicContact CD1-CD1 3.55Å; I1998-I2008 VanDerWaalsContact CD1-CD1 3.43Å; I1998-I2008 HydrophobicContact CD1-CG1 4.09Å; I1998-I2008 HydrophobicContact CD1-CG2 4.33Å; I1998-I2008 HydrophobicContact CG1-CD1 4.45Å; I1998-F2463 HydrophobicContact CD1-CD1 4.14Å; I1998-F2463 HydrophobicContact CD1-CE1 4Å |
| 1999 | G | 83.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1984 T1985 Y1986 | V1984-G1999 CarbonylContact C-O 3.51Å; V1984-G1999 WeakPolarHBondContact CA-O 3.2Å; T1985-G1999 PolarHBondContact N-O 3.12Å; T1985-G1999 PolarHBondContact OG1-O 3.2Å; T1985-G1999 VanDerWaalsContact OG1-O 3.1Å; Y1986-G1999 PolarHBondContact N-O 3.15Å; Y1986-G1999 PolarHBondContact O-N 3.23Å |
| 2000 | W | 84.4 | Confident | 78.8 | Confident | 15.6 Ų | 15.6 | 15.2 Ų | 15.2 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 160.8 | -177.7 | -58.2 | 92.7 | 0 | 0 | 0 | 112.1 | V1971 P1973 M1982 V1984 T1985 I1998 N2002 G2003 D2004 T2006 I2029 | V1971-W2000 HydrophobicContact CB-CH2 4.22Å; V1971-W2000 HydrophobicContact CB-CZ2 4.15Å; V1971-W2000 HydrophobicContact CG1-CH2 4.09Å; V1971-W2000 HydrophobicContact CG1-CZ2 3.59Å; P1973-W2000 HydrophobicContact CB-CE3 4.4Å; P1973-W2000 HydrophobicContact CB-CH2 3.94Å; P1973-W2000 HydrophobicContact CB-CZ2 4.31Å; P1973-W2000 HydrophobicContact CB-CZ3 3.84Å; M1982-W2000 HydrophobicContact CB-CE3 4.36Å; M1982-W2000 HydrophobicContact CE-CB 3.68Å; M1982-W2000 HydrophobicContact CE-CD2 4.05Å; M1982-W2000 HydrophobicContact CE-CE3 4.09Å; M1982-W2000 HydrophobicContact CE-CG 3.89Å; V1984-W2000 HydrophobicContact CB-CZ3 4.47Å; V1984-W2000 HydrophobicContact CG2-CD2 4.49Å; V1984-W2000 HydrophobicContact CG2-CE3 3.98Å; V1984-W2000 HydrophobicContact CG2-CH2 3.81Å; V1984-W2000 HydrophobicContact CG2-CZ2 4.4Å; V1984-W2000 HydrophobicContact CG2-CZ3 3.56Å; V1984-W2000 VanDerWaalsContact CG2-CZ3 3.44Å; T1985-W2000 PolarHBondContact OG1-O 3.48Å; I1998-W2000 HydrophobicContact CG2-CD2 4.32Å; I1998-W2000 HydrophobicContact CG2-CH2 4.3Å; I1998-W2000 HydrophobicContact CG2-CZ2 3.86Å; W2000-N2002 VanDerWaalsContact CB-OD1 3.25Å; W2000-N2002 WeakPolarHBondContact CB-OD1 3.33Å; W2000-N2002 PolarHBondContact O-N 3.26Å; W2000-G2003 PolarHBondContact O-N 2.91Å; W2000-G2003 VanDerWaalsContact O-N 3.14Å; W2000-D2004 HydrophobicContact CB-CB 4.35Å; W2000-D2004 VanDerWaalsContact CD1-O 3.27Å; W2000-D2004 HydrophobicContact CG-CB 4.38Å; W2000-D2004 PolarHBondContact N-O 3.02Å; W2000-T2006 HydrophobicContact CZ2-CG2 4.41Å; W2000-T2006 VanDerWaalsContact NE1-CG2 3.28Å; W2000-T2006 PolarHBondContact NE1-OG1 3.14Å; W2000-I2029 PolarHBondContact O-N 3.18Å |
| 2001 | N | 83 | Confident | 78.1 | Confident | 29.25 Ų | 29.25 | 21.1 Ų | 21.1 | 16% | 0.156 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.8 | 179.3 | 69 | -32.5 | 0 | 0 | 0 | 114.9 | C1981 M1982 Y1983 T1985 G2003 P2028 | C1981-N2001 PolarHBondContact O-ND2 3.15Å; C1981-N2001 VanDerWaalsContact O-ND2 3.13Å; M1982-N2001 WeakPolarHBondContact CA-OD1 3.27Å; M1982-N2001 PolarHBondContact SD-OD1 3.19Å; M1982-N2001 VanDerWaalsContact SD-OD1 3.4Å; Y1983-N2001 HydrophobicContact CD1-CB 4.09Å; Y1983-N2001 VanDerWaalsContact CD1-ND2 3.3Å; Y1983-N2001 WeakPolarHBondContact CD1-ND2 3.41Å; Y1983-N2001 HydrophobicContact CD2-CB 3.91Å; Y1983-N2001 HydrophobicContact CE1-CB 3.79Å; Y1983-N2001 WeakPolarHBondContact CE1-ND2 3.29Å; Y1983-N2001 HydrophobicContact CE2-CB 3.6Å; Y1983-N2001 HydrophobicContact CG-CB 4.14Å; Y1983-N2001 VanDerWaalsContact CZ-CB 3.47Å; Y1983-N2001 PolarHBondContact N-OD1 3.36Å; Y1983-N2001 PolarHBondContact O-N 3.15Å; Y1983-N2001 VanDerWaalsContact O-N 3.09Å; Y1983-N2001 PolarHBondContact O-OD1 2.77Å; T1985-N2001 VanDerWaalsContact CG2-CA 3.43Å; T1985-N2001 HydrophobicContact CG2-CB 3.77Å; N2001-G2003 VanDerWaalsContact C-N 3.33Å; N2001-P2028 VanDerWaalsContact O-CA 3.27Å; N2001-P2028 WeakPolarHBondContact O-CA 3.29Å; N2001-P2028 WeakPolarHBondContact O-CB 3.36Å; N2001-P2028 WeakPolarHBondContact O-CG 3.38Å |
| 2002 | N | 82.1 | Confident | 77.7 | Confident | 39.5 Ų | 39.5 | 22.1 Ų | 22.1 | 21% | 0.211 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.8 | 175.9 | 70.3 | -15.4 | 0 | 0 | 0 | 113.5 | M1982 W2000 D2004 N2026 | M1982-N2002 HydrophobicContact CE-CB 4.2Å; M1982-N2002 VanDerWaalsContact CE-CG 3.46Å; M1982-N2002 WeakPolarHBondContact CE-ND2 3.34Å; M1982-N2002 VanDerWaalsContact CE-OD1 3.3Å; M1982-N2002 WeakPolarHBondContact CE-OD1 3.28Å; M1982-N2002 HydrophobicContact SD-CB 3.71Å; M1982-N2002 VanDerWaalsContact SD-CG 3.57Å; M1982-N2002 PolarHBondContact SD-ND2 3.22Å; M1982-N2002 VanDerWaalsContact SD-ND2 3.4Å; W2000-N2002 VanDerWaalsContact CB-OD1 3.25Å; W2000-N2002 WeakPolarHBondContact CB-OD1 3.33Å; W2000-N2002 PolarHBondContact O-N 3.26Å; N2002-D2004 VanDerWaalsContact ND2-CG 3.27Å; N2002-D2004 PolarHBondContact ND2-OD2 3.27Å; N2002-D2004 VanDerWaalsContact OD1-CB 3.28Å; N2002-D2004 WeakPolarHBondContact OD1-CB 3.35Å; N2002-D2004 VanDerWaalsContact OD1-CG 3.26Å; N2002-D2004 PolarHBondContact OD1-N 3.07Å; N2002-D2004 VanDerWaalsContact OD1-N 3.11Å; N2002-D2004 PolarHBondContact OD1-OD2 3.09Å; N2002-N2026 CarbonylContact C-O 3.57Å; N2002-N2026 CarbonylContact O-C 3.48Å; N2002-N2026 WeakPolarHBondContact O-CA 3.26Å |
| 2003 | G | 83.3 | Confident | 77.6 | Confident | 0.75 Ų | 0.75 | 21.7 Ų | 21.7 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 94 | -2.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W2000 N2001 S2027 Y2052 | W2000-G2003 PolarHBondContact O-N 2.91Å; W2000-G2003 VanDerWaalsContact O-N 3.14Å; N2001-G2003 VanDerWaalsContact C-N 3.33Å; G2003-S2027 VanDerWaalsContact CA-O 3.26Å; G2003-S2027 WeakPolarHBondContact CA-O 3.3Å; G2003-S2027 PolarHBondContact N-O 3.43Å; G2003-Y2052 WeakPolarHBondContact O-CE1 3.16Å; G2003-Y2052 PolarHBondContact O-OH 2.95Å |
| 2004 | D | 87.4 | Confident | 77.7 | Confident | 3.25 Ų | 3.25 | 27.8 Ų | 27.8 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | trans | -76.1 | 152.9 | 179.6 | -67.2 | -19.1 | 0 | 0 | 0 | 112.1 | W2000 N2002 Y2018 K2020 A2021 I2029 | W2000-D2004 HydrophobicContact CB-CB 4.35Å; W2000-D2004 VanDerWaalsContact CD1-O 3.27Å; W2000-D2004 HydrophobicContact CG-CB 4.38Å; W2000-D2004 PolarHBondContact N-O 3.02Å; N2002-D2004 VanDerWaalsContact ND2-CG 3.27Å; N2002-D2004 PolarHBondContact ND2-OD2 3.27Å; N2002-D2004 VanDerWaalsContact OD1-CB 3.28Å; N2002-D2004 WeakPolarHBondContact OD1-CB 3.35Å; N2002-D2004 VanDerWaalsContact OD1-CG 3.26Å; N2002-D2004 PolarHBondContact OD1-N 3.07Å; N2002-D2004 VanDerWaalsContact OD1-N 3.11Å; N2002-D2004 PolarHBondContact OD1-OD2 3.09Å; D2004-Y2018 HydrophobicContact CB-CE2 3.98Å; D2004-Y2018 VanDerWaalsContact CG-OH 3.24Å; D2004-Y2018 WeakPolarHBondContact OD2-CE2 3.29Å; D2004-Y2018 PolarHBondContact OD2-OH 3.09Å; D2004-K2020 WeakPolarHBondContact OD1-CA 3.36Å; D2004-A2021 WeakPolarHBondContact OD1-CB 3.31Å; D2004-A2021 PolarHBondContact OD1-N 2.96Å; D2004-I2029 WeakPolarHBondContact O-CD1 3.35Å | ||
| 2005 | L | 87.3 | Confident | 78.1 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.4 | 175 | -177.3 | 73.2 | 0 | 0 | 0 | 109.9 | L1997 I1998 L2019 I2029 I2032 I2048 V2050 F2088 | L1997-L2005 HydrophobicContact CB-CD1 4.21Å; I1998-L2005 CarbonylContact O-C 3.57Å; I1998-L2005 WeakPolarHBondContact O-CA 3.35Å; L2005-L2019 HydrophobicContact CB-CB 4.23Å; L2005-L2019 HydrophobicContact CD2-CD1 4.17Å; L2005-L2019 PolarHBondContact N-O 2.82Å; L2005-L2019 WeakPolarHBondContact O-CA 3.26Å; L2005-L2019 WeakPolarHBondContact O-CB 3.28Å; L2005-L2019 PolarHBondContact O-N 3.08Å; L2005-I2029 HydrophobicContact CB-CD1 4.33Å; L2005-I2029 HydrophobicContact CD1-CD1 4.48Å; L2005-I2032 HydrophobicContact CD1-CD1 3.51Å; L2005-I2032 HydrophobicContact CD1-CG1 4.33Å; L2005-I2048 HydrophobicContact CD2-CG2 4.46Å; L2005-V2050 HydrophobicContact CD2-CG2 4.23Å; L2005-F2088 HydrophobicContact CD2-CE1 4.29Å |
| 2006 | T | 85.8 | Confident | 78.1 | Confident | 2.5 Ų | 2.5 | 32.9 Ų | 32.9 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.7 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | P1974 L1997 I1998 W2000 L2015 Y2018 | P1974-T2006 HydrophobicContact CG-CG2 4.05Å; L1997-T2006 CarbonylContact C-O 3.49Å; L1997-T2006 WeakPolarHBondContact CA-O 3.22Å; I1998-T2006 WeakPolarHBondContact CB-OG1 3.39Å; I1998-T2006 PolarHBondContact N-O 3.08Å; I1998-T2006 PolarHBondContact O-N 2.89Å; I1998-T2006 PolarHBondContact O-OG1 3.06Å; W2000-T2006 HydrophobicContact CZ2-CG2 4.41Å; W2000-T2006 VanDerWaalsContact NE1-CG2 3.28Å; W2000-T2006 PolarHBondContact NE1-OG1 3.14Å; T2006-L2015 HydrophobicContact CG2-CD1 3.82Å; T2006-Y2018 HydrophobicContact CG2-CD2 3.5Å; T2006-Y2018 HydrophobicContact CG2-CE2 4.18Å; T2006-Y2018 HydrophobicContact CG2-CG 4.12Å |
| 2007 | V | 85 | Confident | 78.2 | Confident | 0.5 Ų | 0.5 | 35.3 Ų | 35.3 | 0% | 0.003 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.7 | 172 | -165.4 | 0 | 0 | 0 | 0 | 109.1 | H1995 V1996 L1997 I2016 H2017 L2086 F2088 | H1995-V2007 HydrophobicContact CB-CG1 3.98Å; V1996-V2007 CarbonylContact O-C 3.52Å; V1996-V2007 VanDerWaalsContact O-CA 3.27Å; V1996-V2007 WeakPolarHBondContact O-CA 3.4Å; L1997-V2007 HydrophobicContact CD2-CB 4.27Å; L1997-V2007 HydrophobicContact CD2-CG1 4Å; L1997-V2007 HydrophobicContact CD2-CG2 3.6Å; V2007-I2016 PolarHBondContact O-N 2.84Å; V2007-H2017 HydrophobicContact CB-CB 4.05Å; V2007-H2017 HydrophobicContact CG2-CB 3.96Å; V2007-H2017 PolarHBondContact N-O 2.94Å; V2007-H2017 PolarHBondContact O-N 3.01Å; V2007-H2017 VanDerWaalsContact O-N 3.15Å; V2007-L2086 HydrophobicContact CB-CD1 4.07Å; V2007-L2086 HydrophobicContact CG1-CD1 3.54Å; V2007-L2086 VanDerWaalsContact CG1-CD1 3.45Å; V2007-L2086 HydrophobicContact CG2-CD1 4.43Å; V2007-F2088 HydrophobicContact CG2-CE2 3.73Å; V2007-F2088 HydrophobicContact CG2-CZ 3.49Å; V2007-F2088 VanDerWaalsContact CG2-CZ 3.49Å |
| 2008 | I | 79.1 | Confident | 78.3 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150.8 | 177.6 | 45 | 172.4 | 0 | 0 | 0 | 110.2 | V1971 H1995 V1996 I1998 G2013 R2014 L2015 Y2465 | V1971-I2008 HydrophobicContact CG1-CD1 4.34Å; V1971-I2008 HydrophobicContact CG1-CG2 4.05Å; V1971-I2008 HydrophobicContact CG2-CD1 3.66Å; H1995-I2008 CarbonylContact C-O 3.54Å; H1995-I2008 VanDerWaalsContact CA-O 3.3Å; H1995-I2008 WeakPolarHBondContact CA-O 3.41Å; V1996-I2008 HydrophobicContact CB-CD1 4.19Å; V1996-I2008 HydrophobicContact CB-CG1 3.75Å; V1996-I2008 HydrophobicContact CG1-CG1 4.42Å; V1996-I2008 PolarHBondContact N-O 2.93Å; V1996-I2008 WeakPolarHBondContact O-CG1 3.48Å; V1996-I2008 PolarHBondContact O-N 2.98Å; I1998-I2008 HydrophobicContact CD1-CD1 3.55Å; I1998-I2008 VanDerWaalsContact CD1-CD1 3.43Å; I1998-I2008 HydrophobicContact CD1-CG1 4.09Å; I1998-I2008 HydrophobicContact CD1-CG2 4.33Å; I1998-I2008 HydrophobicContact CG1-CD1 4.45Å; I2008-G2013 WeakPolarHBondContact CG2-O 3.46Å; I2008-R2014 CarbonylContact C-O 3.55Å; I2008-R2014 VanDerWaalsContact CA-O 3.26Å; I2008-R2014 WeakPolarHBondContact CA-O 3.37Å; I2008-L2015 HydrophobicContact CG1-CD1 4.48Å; I2008-L2015 HydrophobicContact CG2-CD1 4.39Å; I2008-Y2465 HydrophobicContact CD1-CD1 4.29Å; I2008-Y2465 HydrophobicContact CD1-CE1 3.53Å; I2008-Y2465 VanDerWaalsContact CD1-CE1 3.5Å |
| 2009 | H | 72.8 | Confident | 78.3 | Confident | 29.25 Ų | 29.25 | 40.5 Ų | 40.5 | 14% | 0.135 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.2 | 169.8 | -172.4 | -116.1 | 0 | 0 | 0 | 110.3 | E1994 Y2011 D2012 G2013 R2014 I2016 N2081 Y2465 | E1994-H2009 CarbonylContact O-C 3.51Å; E1994-H2009 WeakPolarHBondContact O-CA 3.26Å; E1994-H2009 PolarHBondContact O-CD2 3.06Å; E1994-H2009 VanDerWaalsContact O-CD2 3.27Å; H2009-Y2011 VanDerWaalsContact C-N 3.33Å; H2009-Y2011 AromaticContact CE1-CD2 3.64Å; H2009-Y2011 AromaticContact NE2-CD2 3.73Å; H2009-Y2011 PolarHBondContact O-N 3Å; H2009-D2012 VanDerWaalsContact CB-OD1 3.26Å; H2009-D2012 WeakPolarHBondContact CB-OD1 3.36Å; H2009-D2012 IonicContact CE1-OD1 3.71Å; H2009-D2012 IonicContact CG-OD1 3.11Å; H2009-D2012 VanDerWaalsContact ND1-CG 3.32Å; H2009-D2012 IonicContact ND1-OD1 3.6Å; H2009-D2012 PolarHBondContact ND1-OD1 2.89Å; H2009-D2012 IonicContact ND1-OD2 3.48Å; H2009-G2013 VanDerWaalsContact O-CA 3.32Å; H2009-G2013 WeakPolarHBondContact O-CA 3.04Å; H2009-G2013 PolarHBondContact O-N 3.16Å; H2009-R2014 PolarHBondContact N-O 3.32Å; H2009-I2016 HydrophobicContact CB-CD1 3.52Å; H2009-I2016 VanDerWaalsContact CB-CD1 3.47Å; H2009-I2016 HydrophobicContact CB-CG1 4.01Å; H2009-N2081 PolarHBondContact CE1-ND2 2.85Å; H2009-N2081 PolarHBondContact NE2-ND2 3.15Å; H2009-Y2465 PolarHBondContact O-OH 3.1Å; H2009-Y2465 VanDerWaalsContact O-OH 3.09Å |
| 2010 | T | 69.7 | Low | 78.3 | Confident | 13.25 Ų | 13.25 | 47.7 Ų | 47.7 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -41.1 | -174.5 | -3.7 | 0 | 0 | 0 | 0 | 112.8 | M1989 A1993 E1994 H1995 V1996 V2443 Y2465 I2467 | M1989-T2010 HydrophobicContact CE-CG2 3.93Å; M1989-T2010 HydrophobicContact SD-CG2 4.02Å; M1989-T2010 VanDerWaalsContact SD-CG2 3.57Å; A1993-T2010 WeakPolarHBondContact O-CB 3.39Å; A1993-T2010 VanDerWaalsContact O-CG2 3.31Å; A1993-T2010 WeakPolarHBondContact O-CG2 3.46Å; A1993-T2010 PolarHBondContact O-OG1 3.02Å; E1994-T2010 VanDerWaalsContact C-CG2 3.45Å; E1994-T2010 VanDerWaalsContact C-OG1 3.27Å; E1994-T2010 VanDerWaalsContact CA-OG1 3.25Å; E1994-T2010 WeakPolarHBondContact CA-OG1 3.29Å; E1994-T2010 WeakPolarHBondContact O-CB 3.4Å; E1994-T2010 WeakPolarHBondContact O-CG2 3.44Å; E1994-T2010 PolarHBondContact O-N 3.15Å; E1994-T2010 PolarHBondContact O-OG1 3.19Å; E1994-T2010 VanDerWaalsContact O-OG1 3.12Å; H1995-T2010 PolarHBondContact N-OG1 3.28Å; V1996-T2010 HydrophobicContact CG2-CG2 3.91Å; V1996-T2010 VanDerWaalsContact CG2-CG2 3.46Å; T2010-V2443 HydrophobicContact CG2-CG1 4.48Å; T2010-V2443 HydrophobicContact CG2-CG2 3.78Å; T2010-Y2465 VanDerWaalsContact C-OH 3.3Å; T2010-Y2465 WeakPolarHBondContact O-CE2 3.39Å; T2010-Y2465 VanDerWaalsContact O-CZ 3.29Å; T2010-Y2465 PolarHBondContact O-OH 2.85Å; T2010-I2467 HydrophobicContact CG2-CD1 4.03Å; T2010-I2467 HydrophobicContact CG2-CG1 4.39Å |
| 2011 | Y | 61.3 | Low | 77.8 | Confident | 126.5 Ų | 126.5 | 47.5 Ų | 47.5 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -31.3 | -170.7 | -64.3 | -84.7 | 0 | 0 | 0 | 114.9 | I1969 E1994 H2009 R2441 I2467 | I1969-Y2011 VanDerWaalsContact CD1-O 3.29Å; I1969-Y2011 WeakPolarHBondContact CD1-O 3.3Å; E1994-Y2011 HydrophobicContact CG-CE2 4.22Å; H2009-Y2011 VanDerWaalsContact C-N 3.33Å; H2009-Y2011 AromaticContact CE1-CD2 3.64Å; H2009-Y2011 AromaticContact NE2-CD2 3.73Å; H2009-Y2011 PolarHBondContact O-N 3Å; Y2011-R2441 PolarHBondContact OH-NH2 2.74Å; Y2011-I2467 HydrophobicContact CD1-CD1 4.14Å; Y2011-I2467 HydrophobicContact CE1-CD1 4.18Å |
| 2012 | D | 60 | Low | 77.1 | Confident | 67.5 Ų | 67.5 | 48.2 Ų | 48.2 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -4.4 | -173.3 | 49.1 | 3.4 | 0 | 0 | 0 | 113.5 | R1625 H2009 R2014 | R1625-D2012 PolarHBondContact NH1-O 3.37Å; H2009-D2012 VanDerWaalsContact CB-OD1 3.26Å; H2009-D2012 WeakPolarHBondContact CB-OD1 3.36Å; H2009-D2012 IonicContact CE1-OD1 3.71Å; H2009-D2012 IonicContact CG-OD1 3.11Å; H2009-D2012 VanDerWaalsContact ND1-CG 3.32Å; H2009-D2012 IonicContact ND1-OD1 3.6Å; H2009-D2012 PolarHBondContact ND1-OD1 2.89Å; H2009-D2012 IonicContact ND1-OD2 3.48Å; D2012-R2014 HydrophobicContact CB-CB 4.41Å; D2012-R2014 HydrophobicContact CB-CG 4.3Å; D2012-R2014 VanDerWaalsContact CG-CG 3.49Å; D2012-R2014 PolarHBondContact O-N 3.01Å; D2012-R2014 VanDerWaalsContact O-N 3.16Å; D2012-R2014 WeakPolarHBondContact OD1-CB 3.41Å; D2012-R2014 WeakPolarHBondContact OD1-CG 3.49Å; D2012-R2014 PolarHBondContact OD1-N 3.03Å; D2012-R2014 VanDerWaalsContact OD1-N 3.14Å; D2012-R2014 WeakPolarHBondContact OD2-CD 3.37Å; D2012-R2014 WeakPolarHBondContact OD2-CG 3.32Å; D2012-R2014 IonicContact OD2-CZ 3.6Å; D2012-R2014 IonicContact OD2-NE 2.93Å; D2012-R2014 PolarHBondContact OD2-NE 3.26Å; D2012-R2014 IonicContact OD2-NH1 3.42Å |
| 2013 | G | 64.9 | Low | 76.1 | Confident | 22.25 Ų | 22.25 | 52.9 Ų | 52.9 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | trans | 69.3 | 9.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1969 I2008 H2009 L2015 Y2465 | I1969-G2013 VanDerWaalsContact CG2-CA 3.4Å; I2008-G2013 WeakPolarHBondContact CG2-O 3.46Å; H2009-G2013 VanDerWaalsContact O-CA 3.32Å; H2009-G2013 WeakPolarHBondContact O-CA 3.04Å; H2009-G2013 PolarHBondContact O-N 3.16Å; G2013-L2015 PolarHBondContact O-N 2.84Å; G2013-Y2465 VanDerWaalsContact CA-OH 3.25Å; G2013-Y2465 WeakPolarHBondContact CA-OH 3.25Å; G2013-Y2465 PolarHBondContact N-OH 3.29Å; G2013-Y2465 VanDerWaalsContact N-OH 3.08Å | ||
| 2014 | R | 68.7 | Low | 75.2 | Confident | 155.25 Ų | 155.25 | 60.6 Ų | 60.6 | 59% | 0.586 | 30% | 0.301 | S | S | * | . | trans | -68.8 | 134.4 | -178.5 | -72.9 | -178.2 | -179 | 172.2 | -3 | 110.8 | I2008 H2009 D2012 I2016 | I2008-R2014 CarbonylContact C-O 3.55Å; I2008-R2014 VanDerWaalsContact CA-O 3.26Å; I2008-R2014 WeakPolarHBondContact CA-O 3.37Å; H2009-R2014 PolarHBondContact N-O 3.32Å; D2012-R2014 HydrophobicContact CB-CB 4.41Å; D2012-R2014 HydrophobicContact CB-CG 4.3Å; D2012-R2014 VanDerWaalsContact CG-CG 3.49Å; D2012-R2014 PolarHBondContact O-N 3.01Å; D2012-R2014 VanDerWaalsContact O-N 3.16Å; D2012-R2014 WeakPolarHBondContact OD1-CB 3.41Å; D2012-R2014 WeakPolarHBondContact OD1-CG 3.49Å; D2012-R2014 PolarHBondContact OD1-N 3.03Å; D2012-R2014 VanDerWaalsContact OD1-N 3.14Å; D2012-R2014 WeakPolarHBondContact OD2-CD 3.37Å; D2012-R2014 WeakPolarHBondContact OD2-CG 3.32Å; D2012-R2014 IonicContact OD2-CZ 3.6Å; D2012-R2014 IonicContact OD2-NE 2.93Å; D2012-R2014 PolarHBondContact OD2-NE 3.26Å; D2012-R2014 IonicContact OD2-NH1 3.42Å; R2014-I2016 PolarHBondContact O-N 3.06Å; R2014-I2016 VanDerWaalsContact O-N 3.16Å | ||
| 2015 | L | 76.7 | Confident | 74.2 | Confident | 99 Ų | 99 | 61 Ų | 61 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 113.4 | 170.1 | -176.6 | 72.9 | 0 | 0 | 0 | 109.3 | T2006 I2008 G2013 H2017 | T2006-L2015 HydrophobicContact CG2-CD1 3.82Å; I2008-L2015 HydrophobicContact CG1-CD1 4.48Å; I2008-L2015 HydrophobicContact CG2-CD1 4.39Å; G2013-L2015 PolarHBondContact O-N 2.84Å; L2015-H2017 WeakPolarHBondContact CD1-O 3.29Å |
| 2016 | I | 79 | Confident | 73.5 | Confident | 57.25 Ų | 57.25 | 66 Ų | 66 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -42.9 | 176.5 | -60.1 | 174.1 | 0 | 0 | 0 | 110.1 | H1995 V2007 H2009 R2014 L2086 | H1995-I2016 WeakPolarHBondContact CD2-CD1 3.34Å; H1995-I2016 WeakPolarHBondContact NE2-CD1 3.33Å; V2007-I2016 PolarHBondContact O-N 2.84Å; H2009-I2016 HydrophobicContact CB-CD1 3.52Å; H2009-I2016 VanDerWaalsContact CB-CD1 3.47Å; H2009-I2016 HydrophobicContact CB-CG1 4.01Å; R2014-I2016 PolarHBondContact O-N 3.06Å; R2014-I2016 VanDerWaalsContact O-N 3.16Å; I2016-L2086 HydrophobicContact CB-CD1 4.18Å; I2016-L2086 HydrophobicContact CD1-CD1 4.48Å; I2016-L2086 HydrophobicContact CG2-CB 4.29Å; I2016-L2086 HydrophobicContact CG2-CD1 3.67Å; I2016-L2086 HydrophobicContact CG2-CG 4.23Å |
| 2017 | H | 82 | Confident | 73.4 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 27% | 0.269 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.1 | -176 | -159.3 | 69.5 | 0 | 0 | 0 | 111.7 | V2007 L2015 L2086 F2088 | V2007-H2017 HydrophobicContact CB-CB 4.05Å; V2007-H2017 HydrophobicContact CG2-CB 3.96Å; V2007-H2017 PolarHBondContact N-O 2.94Å; V2007-H2017 PolarHBondContact O-N 3.01Å; V2007-H2017 VanDerWaalsContact O-N 3.15Å; L2015-H2017 WeakPolarHBondContact CD1-O 3.29Å; H2017-L2086 HydrophobicContact CB-CB 4.45Å; H2017-L2086 HydrophobicContact CB-CD1 4.38Å; H2017-F2088 HydrophobicContact CB-CD2 4.49Å; H2017-F2088 HydrophobicContact CB-CE2 4.29Å; H2017-F2088 AromaticContact CD2-CD2 3.27Å; H2017-F2088 WeakPolarHBondContact CD2-CD2 3.31Å; H2017-F2088 AromaticContact CD2-CE2 3.51Å; H2017-F2088 VanDerWaalsContact CD2-CE2 3.49Å; H2017-F2088 WeakPolarHBondContact CD2-CE2 3.37Å; H2017-F2088 AromaticContact CG-CD2 3.88Å; H2017-F2088 AromaticContact CG-CE2 3.99Å; H2017-F2088 AromaticContact NE2-CD2 3.59Å |
| 2018 | Y | 84.5 | Confident | 73.4 | Confident | 79 Ų | 79 | 69 Ų | 69 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 120.7 | 178.8 | 170.5 | -102.5 | 0 | 0 | 0 | 109 | P1974 I1976 D2004 T2006 K2020 | P1974-Y2018 HydrophobicContact CB-CD2 4.18Å; P1974-Y2018 HydrophobicContact CB-CE2 3.9Å; P1974-Y2018 HydrophobicContact CG-CD2 3.93Å; P1974-Y2018 HydrophobicContact CG-CE2 3.58Å; P1974-Y2018 VanDerWaalsContact CG-CE2 3.46Å; I1976-Y2018 VanDerWaalsContact CD1-OH 3.31Å; I1976-Y2018 WeakPolarHBondContact CD1-OH 3.31Å; D2004-Y2018 HydrophobicContact CB-CE2 3.98Å; D2004-Y2018 VanDerWaalsContact CG-OH 3.24Å; D2004-Y2018 WeakPolarHBondContact OD2-CE2 3.29Å; D2004-Y2018 PolarHBondContact OD2-OH 3.09Å; T2006-Y2018 HydrophobicContact CG2-CD2 3.5Å; T2006-Y2018 HydrophobicContact CG2-CE2 4.18Å; T2006-Y2018 HydrophobicContact CG2-CG 4.12Å; Y2018-K2020 HydrophobicContact CE1-CB 3.98Å; Y2018-K2020 HydrophobicContact CE1-CG 4.41Å |
| 2019 | L | 85 | Confident | 73.7 | Confident | 36.75 Ų | 36.75 | 68.4 Ų | 68.4 | 19% | 0.192 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.1 | 179 | -105.9 | 158.4 | 0 | 0 | 0 | 108.4 | L2005 F2060 F2088 | L2005-L2019 HydrophobicContact CB-CB 4.23Å; L2005-L2019 HydrophobicContact CD2-CD1 4.17Å; L2005-L2019 PolarHBondContact N-O 2.82Å; L2005-L2019 WeakPolarHBondContact O-CA 3.26Å; L2005-L2019 WeakPolarHBondContact O-CB 3.28Å; L2005-L2019 PolarHBondContact O-N 3.08Å; L2019-F2060 HydrophobicContact CD1-CD1 4.36Å; L2019-F2060 HydrophobicContact CD1-CE1 4.15Å; L2019-F2060 HydrophobicContact CD2-CE1 3.97Å; L2019-F2060 HydrophobicContact CD2-CZ 4.12Å; L2019-F2088 HydrophobicContact CD1-CB 3.82Å; L2019-F2088 VanDerWaalsContact CD1-CB 3.47Å; L2019-F2088 HydrophobicContact CD1-CD1 3.43Å; L2019-F2088 VanDerWaalsContact CD1-CD1 3.4Å; L2019-F2088 HydrophobicContact CD1-CD2 4.18Å; L2019-F2088 HydrophobicContact CD1-CE1 3.91Å; L2019-F2088 HydrophobicContact CD1-CE2 4.32Å; L2019-F2088 HydrophobicContact CD1-CG 3.56Å; L2019-F2088 VanDerWaalsContact CD1-CG 3.48Å; L2019-F2088 HydrophobicContact CD1-CZ 4.12Å; L2019-F2088 HydrophobicContact CD2-CB 4.05Å; L2019-F2088 HydrophobicContact CD2-CG 4.33Å; L2019-F2088 HydrophobicContact CG-CD1 4.49Å; L2019-F2088 HydrophobicContact CG-CD2 4.49Å; L2019-F2088 HydrophobicContact CG-CG 4.35Å |
| 2020 | K | 82.1 | Confident | 74.3 | Confident | 151.25 Ų | 151.25 | 70.5 Ų | 70.5 | 66% | 0.658 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 140.6 | 177.8 | -164.8 | 170.3 | -176.6 | 174.1 | 0 | 110.6 | D2004 Y2018 A2022 | D2004-K2020 WeakPolarHBondContact OD1-CA 3.36Å; Y2018-K2020 HydrophobicContact CE1-CB 3.98Å; Y2018-K2020 HydrophobicContact CE1-CG 4.41Å; K2020-A2022 PolarHBondContact O-N 3.17Å |
| 2021 | A | 73.9 | Confident | 75.1 | Confident | 11 Ų | 11 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 137.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D2004 T2023 | D2004-A2021 WeakPolarHBondContact OD1-CB 3.31Å; D2004-A2021 PolarHBondContact OD1-N 2.96Å; A2021-T2023 PolarHBondContact O-N 3.4Å |
| 2022 | A | 68.5 | Low | 76.4 | Confident | 45.25 Ų | 45.25 | 64.2 Ų | 64.2 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K2020 E2024 D2025 N2026 R2058 | K2020-A2022 PolarHBondContact O-N 3.17Å; A2022-E2024 PolarHBondContact O-N 3.09Å; A2022-D2025 CarbonylContact O-C 3.53Å; A2022-D2025 PolarHBondContact O-N 3.21Å; A2022-N2026 PolarHBondContact O-OD1 3.13Å; A2022-R2058 VanDerWaalsContact CB-NH2 3.34Å |
| 2023 | T | 61.2 | Low | 77.7 | Confident | 136.5 Ų | 136.5 | 62.2 Ų | 62.2 | 84% | 0.837 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -21.6 | -173.4 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | A2021 | A2021-T2023 PolarHBondContact O-N 3.4Š|
| 2024 | E | 64.2 | Low | 78.7 | Confident | 164.25 Ų | 164.25 | 62.2 Ų | 62.2 | 77% | 0.768 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20.2 | -179.5 | -61.6 | -178.8 | 176.7 | 0 | 0 | 113.5 | A2022 | A2022-E2024 PolarHBondContact O-N 3.09Š|
| 2025 | D | 66.1 | Low | 79.3 | Confident | 9.75 Ų | 9.75 | 55.1 Ų | 55.1 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | trans | -144.5 | 92.8 | -176.5 | -151.5 | -9.4 | 0 | 0 | 0 | 111.7 | A2022 S2027 S2054 R2058 W2095 | A2022-D2025 CarbonylContact O-C 3.53Å; A2022-D2025 PolarHBondContact O-N 3.21Å; D2025-S2027 VanDerWaalsContact C-N 3.33Å; D2025-S2027 PolarHBondContact O-N 2.96Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.29Å; D2025-S2027 PolarHBondContact OD1-N 3.21Å; D2025-S2027 VanDerWaalsContact OD1-N 3.1Å; D2025-S2027 PolarHBondContact OD1-OG 3.27Å; D2025-S2027 PolarHBondContact OD2-OG 2.7Å; D2025-S2054 WeakPolarHBondContact OD1-CB 3.3Å; D2025-S2054 PolarHBondContact OD1-OG 3.23Å; D2025-S2054 VanDerWaalsContact OD2-CB 3.29Å; D2025-S2054 WeakPolarHBondContact OD2-CB 3.16Å; D2025-S2054 PolarHBondContact OD2-OG 3.29Å; D2025-R2058 IonicContact OD2-CZ 3.23Å; D2025-R2058 IonicContact OD2-NH2 3.71Å; D2025-R2058 PolarHBondContact OD2-NH2 2.94Å; D2025-W2095 HydrophobicContact CB-CH2 4.43Å; D2025-W2095 VanDerWaalsContact CG-CH2 3.44Å; D2025-W2095 WeakPolarHBondContact OD1-CH2 3.46Å; D2025-W2095 WeakPolarHBondContact OD1-CZ3 3.4Å; D2025-W2095 VanDerWaalsContact OD2-CH2 3.28Å; D2025-W2095 WeakPolarHBondContact OD2-CH2 3.42Å; D2025-W2095 WeakPolarHBondContact OD2-CZ2 3.38Å | ||
| 2026 | N | 72.7 | Confident | 79.1 | Confident | 108.75 Ų | 108.75 | 52.6 Ų | 52.6 | 58% | 0.582 | 28% | 0.282 | S | S | * | . | trans | -94.2 | 24.3 | 171.6 | -69.1 | -5.7 | 0 | 0 | 0 | 111.9 | N2002 A2022 | N2002-N2026 CarbonylContact C-O 3.57Å; N2002-N2026 CarbonylContact O-C 3.48Å; N2002-N2026 WeakPolarHBondContact O-CA 3.26Å; A2022-N2026 PolarHBondContact O-OD1 3.13Å | ||
| 2027 | S | 83.1 | Confident | 78.3 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 151.3 | 178.9 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | G2003 D2025 I2029 Y2052 S2054 | G2003-S2027 VanDerWaalsContact CA-O 3.26Å; G2003-S2027 WeakPolarHBondContact CA-O 3.3Å; G2003-S2027 PolarHBondContact N-O 3.43Å; D2025-S2027 VanDerWaalsContact C-N 3.33Å; D2025-S2027 PolarHBondContact O-N 2.96Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.29Å; D2025-S2027 PolarHBondContact OD1-N 3.21Å; D2025-S2027 VanDerWaalsContact OD1-N 3.1Å; D2025-S2027 PolarHBondContact OD1-OG 3.27Å; D2025-S2027 PolarHBondContact OD2-OG 2.7Å; S2027-I2029 PolarHBondContact O-N 3.05Å; S2027-Y2052 WeakPolarHBondContact O-CD1 2.79Å; S2027-S2054 VanDerWaalsContact OG-CB 3.31Å; S2027-S2054 WeakPolarHBondContact OG-CB 3.41Å; S2027-S2054 PolarHBondContact OG-N 3.08Å; S2027-S2054 VanDerWaalsContact OG-N 3.15Å; S2027-S2054 PolarHBondContact OG-OG 3.11Å |
| 2028 | P | 85.1 | Confident | 77.1 | Confident | 44.5 Ų | 44.5 | 56.3 Ų | 56.3 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.9 | -179.5 | -1.9 | 0 | 0 | 0 | 0 | 112.1 | T1985 N2001 Q2030 A2053 | T1985-P2028 HydrophobicContact CG2-CB 4.12Å; N2001-P2028 VanDerWaalsContact O-CA 3.27Å; N2001-P2028 WeakPolarHBondContact O-CA 3.29Å; N2001-P2028 WeakPolarHBondContact O-CB 3.36Å; N2001-P2028 WeakPolarHBondContact O-CG 3.38Å; P2028-Q2030 PolarHBondContact O-N 3.16Å; P2028-A2053 HydrophobicContact CB-CB 4.46Å; P2028-A2053 HydrophobicContact CG-CB 3.7Å; P2028-A2053 WeakPolarHBondContact O-CB 3.43Å; P2028-A2053 PolarHBondContact O-N 3.24Å |
| 2029 | I | 86.6 | Confident | 75.3 | Confident | 0.25 Ų | 0.25 | 54 Ų | 54 | 0% | 0.001 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 123.6 | 169.1 | -66.7 | 172.6 | 0 | 0 | 0 | 108.2 | T1985 W2000 D2004 L2005 S2027 I2032 V2050 Y2052 | T1985-I2029 WeakPolarHBondContact CB-O 3.37Å; T1985-I2029 PolarHBondContact OG1-O 3.04Å; W2000-I2029 PolarHBondContact O-N 3.18Å; D2004-I2029 WeakPolarHBondContact O-CD1 3.35Å; L2005-I2029 HydrophobicContact CB-CD1 4.33Å; L2005-I2029 HydrophobicContact CD1-CD1 4.48Å; S2027-I2029 PolarHBondContact O-N 3.05Å; I2029-I2032 HydrophobicContact CG2-CD1 3.91Å; I2029-I2032 HydrophobicContact CG2-CG1 3.61Å; I2029-V2050 HydrophobicContact CB-CG1 4.39Å; I2029-V2050 HydrophobicContact CD1-CG1 3.9Å; I2029-V2050 HydrophobicContact CG1-CG1 3.83Å; I2029-V2050 HydrophobicContact CG2-CG1 3.72Å; I2029-Y2052 HydrophobicContact CD1-CE1 4.41Å; I2029-Y2052 HydrophobicContact CG1-CD1 4.05Å; I2029-Y2052 HydrophobicContact CG1-CE1 3.68Å |
| 2030 | Q | 85.3 | Confident | 73.5 | Confident | 72.25 Ų | 72.25 | 62.3 Ų | 62.3 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -32.8 | -179.7 | -73.6 | -149.4 | -18.5 | 0 | 0 | 112.8 | Y1986 P2028 G2051 A2053 T2113 | Y1986-Q2030 VanDerWaalsContact CD2-O 3.26Å; Y1986-Q2030 WeakPolarHBondContact CD2-O 3.38Å; P2028-Q2030 PolarHBondContact O-N 3.16Å; Q2030-G2051 PolarHBondContact N-O 3.21Å; Q2030-A2053 HydrophobicContact CG-CB 3.9Å; Q2030-T2113 WeakPolarHBondContact CB-O 3.35Å; Q2030-T2113 PolarHBondContact OE1-O 3.26Å |
| 2031 | C | 86.7 | Confident | 71.9 | Confident | 4.25 Ų | 4.25 | 57.4 Ų | 57.4 | 3% | 0.029 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 147 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | Y1986 G2051 T2113 L2114 C2115 V2116 | Y1986-C2031 HydrophobicContact CE2-CB 4.41Å; C2031-G2051 PolarHBondContact N-O 2.97Å; C2031-G2051 PolarHBondContact O-N 3.02Å; C2031-G2051 VanDerWaalsContact SG-CA 3.56Å; C2031-T2113 PolarHBondContact SG-O 2.83Å; C2031-T2113 VanDerWaalsContact SG-O 3.41Å; C2031-L2114 VanDerWaalsContact SG-C 3.56Å; C2031-C2115 HydrophobicContact CB-CB 4.46Å; C2031-C2115 WeakPolarHBondContact CB-SG 3.41Å; C2031-C2115 WeakPolarHBondContact SG-CB 3.5Å; C2031-C2115 PolarHBondContact SG-N 2.68Å; C2031-C2115 CovalentContact SG-SG 2.06Å; C2031-C2115 PolarHBondContact SG-SG 2.75Å; C2031-V2116 HydrophobicContact CB-CG2 3.9Å; C2031-V2116 VanDerWaalsContact SG-CG2 3.51Å |
| 2032 | I | 88.6 | Confident | 70.9 | Confident | 4.75 Ų | 4.75 | 61.8 Ų | 61.8 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.8 | 175.6 | -56.1 | 164.2 | 0 | 0 | 0 | 108.1 | Y1986 A1988 L1997 L2005 I2029 I2048 I2049 V2050 | Y1986-I2032 HydrophobicContact CD1-CB 3.85Å; Y1986-I2032 HydrophobicContact CD1-CD1 4.31Å; Y1986-I2032 HydrophobicContact CD1-CG1 4.09Å; Y1986-I2032 VanDerWaalsContact CD1-N 3.31Å; Y1986-I2032 HydrophobicContact CE1-CB 4.25Å; Y1986-I2032 VanDerWaalsContact CE1-O 3.27Å; Y1986-I2032 WeakPolarHBondContact CE1-O 3.36Å; A1988-I2032 HydrophobicContact CB-CB 3.85Å; A1988-I2032 HydrophobicContact CB-CG2 3.79Å; L1997-I2032 HydrophobicContact CB-CG2 4.39Å; L1997-I2032 HydrophobicContact CD1-CG2 3.9Å; L2005-I2032 HydrophobicContact CD1-CD1 3.51Å; L2005-I2032 HydrophobicContact CD1-CG1 4.33Å; I2029-I2032 HydrophobicContact CG2-CD1 3.91Å; I2029-I2032 HydrophobicContact CG2-CG1 3.61Å; I2032-I2048 HydrophobicContact CG2-CG2 4.17Å; I2032-I2049 WeakPolarHBondContact CA-O 3.33Å; I2032-V2050 HydrophobicContact CG1-CG1 4.34Å; I2032-V2050 HydrophobicContact CG1-CG2 4.46Å; I2032-V2050 HydrophobicContact CG2-CG2 4.47Å |
| 2033 | T | 88 | Confident | 70.4 | Confident | 24.75 Ų | 24.75 | 63.7 Ų | 63.7 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.2 | 170.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | I2048 I2049 C2115 V2116 A2117 S2118 | T2033-I2048 CarbonylContact O-C 3.55Å; T2033-I2048 WeakPolarHBondContact O-CA 3.4Å; T2033-I2049 HydrophobicContact CG2-CB 3.81Å; T2033-I2049 HydrophobicContact CG2-CD1 3.91Å; T2033-I2049 HydrophobicContact CG2-CG1 4.49Å; T2033-I2049 HydrophobicContact CG2-CG2 4.48Å; T2033-I2049 PolarHBondContact N-O 3.13Å; T2033-I2049 PolarHBondContact O-N 3.16Å; T2033-C2115 HydrophobicContact CG2-CB 4.02Å; T2033-V2116 HydrophobicContact CG2-CB 4.03Å; T2033-V2116 HydrophobicContact CG2-CG1 3.41Å; T2033-V2116 VanDerWaalsContact CG2-CG1 3.41Å; T2033-V2116 HydrophobicContact CG2-CG2 3.63Å; T2033-A2117 HydrophobicContact CG2-CB 3.91Å; T2033-A2117 PolarHBondContact OG1-N 2.82Å; T2033-S2118 VanDerWaalsContact CG2-OG 3.29Å; T2033-S2118 WeakPolarHBondContact CG2-OG 3.23Å; T2033-S2118 PolarHBondContact OG1-N 2.98Å; T2033-S2118 PolarHBondContact OG1-OG 3.02Å; T2033-S2118 VanDerWaalsContact OG1-OG 3.05Å |
| 2034 | S | 85.1 | Confident | 70.7 | Confident | 21.75 Ų | 21.75 | 61.5 Ų | 61.5 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.8 | 176.3 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | M1989 P1991 H2047 S2118 | M1989-S2034 PolarHBondContact O-OG 3.3Å; M1989-S2034 VanDerWaalsContact O-OG 3.05Å; P1991-S2034 WeakPolarHBondContact CD-OG 3.32Å; S2034-H2047 CarbonylContact C-O 3.52Å; S2034-H2047 VanDerWaalsContact CA-O 3.26Å; S2034-H2047 WeakPolarHBondContact CA-O 3.37Å; S2034-S2118 VanDerWaalsContact C-OG 3.31Å; S2034-S2118 PolarHBondContact O-OG 3.26Å |
| 2035 | S | 80.7 | Confident | 71.4 | Confident | 7.25 Ų | 7.25 | 53.8 Ų | 53.8 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.9 | 174.9 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | A2037 Y2046 H2047 S2118 F2120 | S2035-A2037 PolarHBondContact O-N 3.1Å; S2035-Y2046 CarbonylContact O-C 3.48Å; S2035-Y2046 VanDerWaalsContact O-CA 3.31Å; S2035-Y2046 WeakPolarHBondContact O-CA 3.23Å; S2035-H2047 PolarHBondContact N-O 2.99Å; S2035-H2047 PolarHBondContact O-N 3.13Å; S2035-S2118 WeakPolarHBondContact CB-O 3.44Å; S2035-S2118 VanDerWaalsContact CB-OG 3.23Å; S2035-S2118 WeakPolarHBondContact CB-OG 3.48Å; S2035-S2118 PolarHBondContact N-OG 3.45Å; S2035-S2118 WeakPolarHBondContact OG-CB 3.31Å; S2035-S2118 PolarHBondContact OG-OG 3.15Å; S2035-S2118 VanDerWaalsContact OG-OG 3.04Å; S2035-F2120 PolarHBondContact OG-O 3.18Å; S2035-F2120 VanDerWaalsContact OG-O 3.05Å |
| 2036 | C | 72.4 | Confident | 72.2 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130 | 175.8 | -79.5 | 0 | 0 | 0 | 0 | 111.1 | R2038 Y2046 Y2119 F2120 | C2036-R2038 PolarHBondContact O-N 2.99Å; C2036-Y2046 HydrophobicContact CB-CD1 4.24Å; C2036-Y2046 HydrophobicContact CB-CE1 4.26Å; C2036-Y2119 HydrophobicContact CB-CD1 4.36Å; C2036-F2120 WeakPolarHBondContact O-CA 3.44Å |
| 2037 | A | 61.9 | Low | 72.8 | Confident | 11.75 Ų | 11.75 | 49 Ų | 49 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | S2035 S2039 A2045 H2047 L2061 | S2035-A2037 PolarHBondContact O-N 3.1Å; A2037-S2039 PolarHBondContact O-N 3.15Å; A2037-A2045 WeakPolarHBondContact CA-O 3.28Å; A2037-A2045 HydrophobicContact CB-CB 4.11Å; A2037-A2045 WeakPolarHBondContact CB-O 3.41Å; A2037-A2045 PolarHBondContact N-O 3.17Å; A2037-H2047 WeakPolarHBondContact CB-CE1 3.38Å; A2037-H2047 WeakPolarHBondContact CB-ND1 3.39Å; A2037-L2061 HydrophobicContact CB-CD1 3.93Å |
| 2038 | R | 56.6 | Low | 73 | Confident | 179.5 Ų | 179.5 | 48 Ų | 48 | 68% | 0.677 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 109.3 | 166 | -96.4 | -175.7 | 170.9 | 154.1 | -2.4 | 108 | C2036 F2120 | C2036-R2038 PolarHBondContact O-N 2.99Å; R2038-F2120 HydrophobicContact CG-CE2 4.08Å; R2038-F2120 HydrophobicContact CG-CZ 4.16Å |
| 2039 | S | 47.1 | Very low | 73.2 | Confident | 32.5 Ų | 32.5 | 45.9 Ų | 45.9 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | trans | -98.6 | 135.1 | 165.1 | -166.5 | 0 | 0 | 0 | 0 | 108.8 | A2037 S2041 F2043 T2141 | A2037-S2039 PolarHBondContact O-N 3.15Å; S2039-S2041 WeakPolarHBondContact CB-OG 3.16Å; S2039-S2041 PolarHBondContact O-N 2.97Å; S2039-S2041 WeakPolarHBondContact OG-CB 3.23Å; S2039-S2041 PolarHBondContact OG-N 3.15Å; S2039-S2041 VanDerWaalsContact OG-N 3.09Å; S2039-S2041 PolarHBondContact OG-OG 3.01Å; S2039-F2043 WeakPolarHBondContact CB-O 3.22Å; S2039-T2141 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 2040 | Y | 48.6 | Very low | 73.4 | Confident | 209 Ų | 209 | 45.9 Ų | 45.9 | 82% | 0.82 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -73.4 | -7.6 | 166.6 | -77 | -82.9 | 0 | 0 | 0 | 112 | Q2140 | Y2040-Q2140 HydrophobicContact CE2-CG 4.39Š|
| 2041 | S | 48.4 | Very low | 73.6 | Confident | 50 Ų | 50 | 42.5 Ų | 42.5 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78.5 | 148.1 | 171.5 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | S2039 F2043 | S2039-S2041 WeakPolarHBondContact CB-OG 3.16Å; S2039-S2041 PolarHBondContact O-N 2.97Å; S2039-S2041 WeakPolarHBondContact OG-CB 3.23Å; S2039-S2041 PolarHBondContact OG-N 3.15Å; S2039-S2041 VanDerWaalsContact OG-N 3.09Å; S2039-S2041 PolarHBondContact OG-OG 3.01Å; S2041-F2043 PolarHBondContact O-N 2.97Å; S2041-F2043 PolarHBondContact OG-N 3.07Å; S2041-F2043 PolarHBondContact OG-O 3.08Å; S2041-F2043 VanDerWaalsContact OG-O 3.14Å |
| 2042 | A | 52.3 | Low | 73.8 | Confident | 103.25 Ų | 103.25 | 42.5 Ų | 42.5 | 85% | 0.853 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -60.3 | 12.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 2043 | F | 58.2 | Low | 73.6 | Confident | 84.25 Ų | 84.25 | 43.6 Ų | 43.6 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -122.2 | 135.8 | -173.9 | -58.4 | -59.4 | 0 | 0 | 0 | 110.7 | S2039 S2041 A2045 L2064 R2065 P2066 | S2039-F2043 WeakPolarHBondContact CB-O 3.22Å; S2041-F2043 PolarHBondContact O-N 2.97Å; S2041-F2043 PolarHBondContact OG-N 3.07Å; S2041-F2043 PolarHBondContact OG-O 3.08Å; S2041-F2043 VanDerWaalsContact OG-O 3.14Å; F2043-A2045 PolarHBondContact O-N 2.95Å; F2043-L2064 WeakPolarHBondContact CB-O 3.38Å; F2043-R2065 HydrophobicContact CD2-CG 4.25Å; F2043-R2065 HydrophobicContact CE2-CG 4.4Å; F2043-R2065 HydrophobicContact CG-CG 4.47Å; F2043-P2066 VanDerWaalsContact CD1-CD 3.47Å; F2043-P2066 HydrophobicContact CD1-CG 4.22Å; F2043-P2066 HydrophobicContact CE1-CG 3.5Å; F2043-P2066 HydrophobicContact CZ-CG 4.14Å |
| 2044 | N | 67.9 | Low | 73.4 | Confident | 91.25 Ų | 91.25 | 43.9 Ų | 43.9 | 49% | 0.488 | 24% | 0.237 | S | C | . | . | trans | -65.5 | 130.7 | 177 | -69.8 | -18 | 0 | 0 | 0 | 110.4 | Y2046 L2064 | N2044-Y2046 HydrophobicContact CB-CE2 4.17Å; N2044-L2064 HydrophobicContact CB-CB 4.49Å; N2044-L2064 HydrophobicContact CB-CD1 3.74Å; N2044-L2064 PolarHBondContact O-N 3.11Å; N2044-L2064 VanDerWaalsContact O-N 3.12Å | ||
| 2045 | A | 77.3 | Confident | 73.3 | Confident | 2.75 Ų | 2.75 | 42.9 Ų | 42.9 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A2037 F2043 L2061 C2062 | A2037-A2045 WeakPolarHBondContact CA-O 3.28Å; A2037-A2045 HydrophobicContact CB-CB 4.11Å; A2037-A2045 WeakPolarHBondContact CB-O 3.41Å; A2037-A2045 PolarHBondContact N-O 3.17Å; F2043-A2045 PolarHBondContact O-N 2.95Å; A2045-L2061 HydrophobicContact CB-CD1 4.17Å; A2045-C2062 CarbonylContact C-O 3.54Å; A2045-C2062 VanDerWaalsContact CA-O 3.25Å; A2045-C2062 WeakPolarHBondContact CA-O 3.18Å |
| 2046 | Y | 83.2 | Confident | 73.6 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.1 | -178.2 | -55.9 | -73.1 | 0 | 0 | 0 | 111 | L1990 P1991 S1992 S2035 C2036 N2044 L2061 C2062 L2064 | L1990-Y2046 HydrophobicContact CD1-CD2 4.36Å; L1990-Y2046 HydrophobicContact CD2-CD2 4.19Å; L1990-Y2046 HydrophobicContact CD2-CG 4.14Å; P1991-Y2046 HydrophobicContact CB-CD1 4.26Å; P1991-Y2046 HydrophobicContact CB-CE1 3.92Å; P1991-Y2046 HydrophobicContact CG-CD1 3.79Å; P1991-Y2046 HydrophobicContact CG-CE1 3.98Å; S1992-Y2046 VanDerWaalsContact CB-OH 3.27Å; S1992-Y2046 WeakPolarHBondContact CB-OH 3.48Å; S2035-Y2046 CarbonylContact O-C 3.48Å; S2035-Y2046 VanDerWaalsContact O-CA 3.31Å; S2035-Y2046 WeakPolarHBondContact O-CA 3.23Å; C2036-Y2046 HydrophobicContact CB-CD1 4.24Å; C2036-Y2046 HydrophobicContact CB-CE1 4.26Å; N2044-Y2046 HydrophobicContact CB-CE2 4.17Å; Y2046-L2061 WeakPolarHBondContact O-CA 3.35Å; Y2046-C2062 PolarHBondContact N-O 2.88Å; Y2046-C2062 PolarHBondContact O-N 3.03Å; Y2046-L2064 HydrophobicContact CD2-CD1 3.75Å; Y2046-L2064 VanDerWaalsContact CD2-CD1 3.43Å; Y2046-L2064 HydrophobicContact CE2-CD1 3.4Å; Y2046-L2064 VanDerWaalsContact CE2-CD1 3.42Å; Y2046-L2064 HydrophobicContact CE2-CD2 4.31Å; Y2046-L2064 HydrophobicContact CE2-CG 4.2Å |
| 2047 | H | 85 | Confident | 74.4 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.6 | 165.1 | -64.7 | 87.6 | 0 | 0 | 0 | 108.7 | S2034 S2035 A2037 F2060 L2061 F2120 I2137 | S2034-H2047 CarbonylContact C-O 3.52Å; S2034-H2047 VanDerWaalsContact CA-O 3.26Å; S2034-H2047 WeakPolarHBondContact CA-O 3.37Å; S2035-H2047 PolarHBondContact N-O 2.99Å; S2035-H2047 PolarHBondContact O-N 3.13Å; A2037-H2047 WeakPolarHBondContact CB-CE1 3.38Å; A2037-H2047 WeakPolarHBondContact CB-ND1 3.39Å; H2047-F2060 CarbonylContact C-O 3.53Å; H2047-F2060 VanDerWaalsContact CA-O 3.31Å; H2047-F2060 WeakPolarHBondContact CA-O 3.29Å; H2047-L2061 WeakPolarHBondContact ND1-CD1 3.45Å; H2047-F2120 PolarHBondContact ND1-O 3.06Å; H2047-I2137 HydrophobicContact CB-CD1 4.46Å; H2047-I2137 WeakPolarHBondContact NE2-CG2 3.41Å |
| 2048 | I | 88.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.3 | 176.5 | -61.6 | 166.7 | 0 | 0 | 0 | 107.2 | L1990 L1997 L2005 I2032 T2033 V2050 I2059 F2060 C2062 F2088 | L1990-I2048 HydrophobicContact CD2-CD1 3.98Å; L1990-I2048 HydrophobicContact CD2-CG1 4.01Å; L1997-I2048 HydrophobicContact CD1-CB 4.46Å; L1997-I2048 HydrophobicContact CD1-CD1 3.91Å; L1997-I2048 HydrophobicContact CD1-CG1 4Å; L1997-I2048 HydrophobicContact CD1-CG2 3.65Å; L1997-I2048 HydrophobicContact CD2-CD1 4.19Å; L2005-I2048 HydrophobicContact CD2-CG2 4.46Å; I2032-I2048 HydrophobicContact CG2-CG2 4.17Å; T2033-I2048 CarbonylContact O-C 3.55Å; T2033-I2048 WeakPolarHBondContact O-CA 3.4Å; I2048-V2050 HydrophobicContact CG2-CG2 4.16Å; I2048-I2059 CarbonylContact O-C 3.54Å; I2048-F2060 HydrophobicContact CB-CB 4.31Å; I2048-F2060 PolarHBondContact N-O 3.11Å; I2048-F2060 PolarHBondContact O-N 3.07Å; I2048-C2062 HydrophobicContact CD1-CB 3.6Å; I2048-C2062 HydrophobicContact CG1-CB 4.39Å; I2048-F2088 HydrophobicContact CD1-CD1 4.29Å; I2048-F2088 HydrophobicContact CD1-CE1 3.34Å; I2048-F2088 HydrophobicContact CD1-CZ 3.78Å |
| 2049 | I | 90 | Very high | 77.2 | Confident | 0.25 Ų | 0.25 | 32 Ų | 32 | 0% | 0.001 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.4 | 179.3 | -59 | 125.3 | 0 | 0 | 0 | 108.5 | I2032 T2033 V2057 R2058 I2059 C2115 V2116 A2117 A2123 I2137 | I2032-I2049 WeakPolarHBondContact CA-O 3.33Å; T2033-I2049 HydrophobicContact CG2-CB 3.81Å; T2033-I2049 HydrophobicContact CG2-CD1 3.91Å; T2033-I2049 HydrophobicContact CG2-CG1 4.49Å; T2033-I2049 HydrophobicContact CG2-CG2 4.48Å; T2033-I2049 PolarHBondContact N-O 3.13Å; T2033-I2049 PolarHBondContact O-N 3.16Å; I2049-V2057 HydrophobicContact CG2-CG1 3.67Å; I2049-R2058 CarbonylContact C-O 3.35Å; I2049-R2058 WeakPolarHBondContact CA-O 3.25Å; I2049-I2059 HydrophobicContact CG1-CB 4.42Å; I2049-I2059 HydrophobicContact CG1-CD1 4.43Å; I2049-I2059 HydrophobicContact CG1-CG1 4.01Å; I2049-I2059 HydrophobicContact CG1-CG2 4.02Å; I2049-I2059 HydrophobicContact CG2-CG1 4.36Å; I2049-C2115 HydrophobicContact CG2-CB 3.98Å; I2049-V2116 HydrophobicContact CB-CG1 4Å; I2049-V2116 HydrophobicContact CG2-CB 4.37Å; I2049-V2116 HydrophobicContact CG2-CG1 4Å; I2049-A2117 HydrophobicContact CD1-CB 3.6Å; I2049-A2123 HydrophobicContact CD1-CB 3.42Å; I2049-A2123 VanDerWaalsContact CD1-CB 3.42Å; I2049-A2123 HydrophobicContact CG1-CB 3.92Å; I2049-I2137 HydrophobicContact CD1-CD1 4.45Å |
| 2050 | V | 90.6 | Very high | 79.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.8 | -176.8 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | L2005 I2029 I2032 I2048 Y2052 V2057 R2058 F2060 | L2005-V2050 HydrophobicContact CD2-CG2 4.23Å; I2029-V2050 HydrophobicContact CB-CG1 4.39Å; I2029-V2050 HydrophobicContact CD1-CG1 3.9Å; I2029-V2050 HydrophobicContact CG1-CG1 3.83Å; I2029-V2050 HydrophobicContact CG2-CG1 3.72Å; I2032-V2050 HydrophobicContact CG1-CG1 4.34Å; I2032-V2050 HydrophobicContact CG1-CG2 4.46Å; I2032-V2050 HydrophobicContact CG2-CG2 4.47Å; I2048-V2050 HydrophobicContact CG2-CG2 4.16Å; V2050-Y2052 HydrophobicContact CB-CE2 3.99Å; V2050-Y2052 HydrophobicContact CG1-CD2 4.17Å; V2050-Y2052 HydrophobicContact CG1-CE1 4.41Å; V2050-Y2052 HydrophobicContact CG1-CE2 3.56Å; V2050-V2057 CarbonylContact O-C 3.51Å; V2050-V2057 WeakPolarHBondContact O-CA 3.38Å; V2050-R2058 PolarHBondContact N-O 3.06Å; V2050-R2058 PolarHBondContact O-N 3.1Å; V2050-F2060 HydrophobicContact CB-CE2 4.45Å; V2050-F2060 HydrophobicContact CG2-CD2 4.14Å; V2050-F2060 HydrophobicContact CG2-CE2 3.93Å |
| 2051 | G | 89.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q2030 C2031 T2113 | Q2030-G2051 PolarHBondContact N-O 3.21Å; C2031-G2051 PolarHBondContact N-O 2.97Å; C2031-G2051 PolarHBondContact O-N 3.02Å; C2031-G2051 VanDerWaalsContact SG-CA 3.56Å; G2051-T2113 WeakPolarHBondContact CA-OG1 3.19Å |
| 2052 | Y | 89.1 | Confident | 82.7 | Confident | 4.5 Ų | 4.5 | 18.9 Ų | 18.9 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 153.8 | -177.3 | -68.5 | -95.1 | 0 | 0 | 0 | 111.8 | G2003 S2027 I2029 V2050 S2054 G2055 A2056 R2058 T2113 | G2003-Y2052 WeakPolarHBondContact O-CE1 3.16Å; G2003-Y2052 PolarHBondContact O-OH 2.95Å; S2027-Y2052 WeakPolarHBondContact O-CD1 2.79Å; I2029-Y2052 HydrophobicContact CD1-CE1 4.41Å; I2029-Y2052 HydrophobicContact CG1-CD1 4.05Å; I2029-Y2052 HydrophobicContact CG1-CE1 3.68Å; V2050-Y2052 HydrophobicContact CB-CE2 3.99Å; V2050-Y2052 HydrophobicContact CG1-CD2 4.17Å; V2050-Y2052 HydrophobicContact CG1-CE1 4.41Å; V2050-Y2052 HydrophobicContact CG1-CE2 3.56Å; Y2052-S2054 WeakPolarHBondContact CB-OG 3.37Å; Y2052-S2054 PolarHBondContact O-N 3.02Å; Y2052-G2055 PolarHBondContact O-N 2.88Å; Y2052-A2056 WeakPolarHBondContact CB-O 3.46Å; Y2052-A2056 HydrophobicContact CD2-CB 4.29Å; Y2052-A2056 PolarHBondContact N-O 3.02Å; Y2052-R2058 HydrophobicContact CD2-CG 4.39Å; Y2052-R2058 HydrophobicContact CE2-CB 4.07Å; Y2052-R2058 HydrophobicContact CE2-CG 3.74Å; Y2052-R2058 PolarHBondContact OH-NH1 2.84Å; Y2052-T2113 PolarHBondContact N-OG1 3.24Å; Y2052-T2113 PolarHBondContact O-N 3.32Å; Y2052-T2113 VanDerWaalsContact O-N 3.11Å; Y2052-T2113 PolarHBondContact O-OG1 3.2Å; Y2052-T2113 VanDerWaalsContact O-OG1 3.09Å |
| 2053 | A | 86.2 | Confident | 84 | Confident | 27.5 Ų | 27.5 | 15.1 Ų | 15.1 | 23% | 0.227 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2028 Q2030 G2055 G2112 | P2028-A2053 HydrophobicContact CB-CB 4.46Å; P2028-A2053 HydrophobicContact CG-CB 3.7Å; P2028-A2053 WeakPolarHBondContact O-CB 3.43Å; P2028-A2053 PolarHBondContact O-N 3.24Å; Q2030-A2053 HydrophobicContact CG-CB 3.9Å; A2053-G2055 PolarHBondContact O-N 3.13Å; A2053-G2112 VanDerWaalsContact O-CA 3.31Å; A2053-G2112 WeakPolarHBondContact O-CA 3.27Å |
| 2054 | S | 83.1 | Confident | 84.7 | Confident | 32 Ų | 32 | 11.8 Ų | 11.8 | 22% | 0.224 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15 | 171.9 | 62 | 0 | 0 | 0 | 0 | 114.1 | D2025 S2027 Y2052 A2056 | D2025-S2054 WeakPolarHBondContact OD1-CB 3.3Å; D2025-S2054 PolarHBondContact OD1-OG 3.23Å; D2025-S2054 VanDerWaalsContact OD2-CB 3.29Å; D2025-S2054 WeakPolarHBondContact OD2-CB 3.16Å; D2025-S2054 PolarHBondContact OD2-OG 3.29Å; S2027-S2054 VanDerWaalsContact OG-CB 3.31Å; S2027-S2054 WeakPolarHBondContact OG-CB 3.41Å; S2027-S2054 PolarHBondContact OG-N 3.08Å; S2027-S2054 VanDerWaalsContact OG-N 3.15Å; S2027-S2054 PolarHBondContact OG-OG 3.11Å; Y2052-S2054 WeakPolarHBondContact CB-OG 3.37Å; Y2052-S2054 PolarHBondContact O-N 3.02Å; S2054-A2056 WeakPolarHBondContact OG-CB 3.29Å; S2054-A2056 PolarHBondContact OG-N 3.09Å; S2054-A2056 VanDerWaalsContact OG-N 3.17Å |
| 2055 | G | 82.7 | Confident | 84.6 | Confident | 0.25 Ų | 0.25 | 13.5 Ų | 13.5 | 0% | 0.003 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 92 | 3.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y2052 A2053 H2097 T2113 | Y2052-G2055 PolarHBondContact O-N 2.88Å; A2053-G2055 PolarHBondContact O-N 3.13Å; G2055-H2097 VanDerWaalsContact CA-C 3.49Å; G2055-H2097 WeakPolarHBondContact CA-O 3.32Å; G2055-H2097 PolarHBondContact O-N 3.02Å; G2055-H2097 VanDerWaalsContact O-N 3.11Å; G2055-T2113 VanDerWaalsContact C-CG2 3.49Å; G2055-T2113 VanDerWaalsContact CA-CG2 3.48Å; G2055-T2113 PolarHBondContact O-OG1 3.19Å |
| 2056 | A | 86.5 | Confident | 83.7 | Confident | 0.25 Ų | 0.25 | 16.3 Ų | 16.3 | 0% | 0.002 | 8% | 0.083 | C | C | . | . | trans | -76.6 | 146.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2052 S2054 L2094 W2095 T2113 | Y2052-A2056 WeakPolarHBondContact CB-O 3.46Å; Y2052-A2056 HydrophobicContact CD2-CB 4.29Å; Y2052-A2056 PolarHBondContact N-O 3.02Å; S2054-A2056 WeakPolarHBondContact OG-CB 3.29Å; S2054-A2056 PolarHBondContact OG-N 3.09Å; S2054-A2056 VanDerWaalsContact OG-N 3.17Å; A2056-L2094 CarbonylContact C-O 3.55Å; A2056-L2094 WeakPolarHBondContact CA-O 3.32Å; A2056-W2095 HydrophobicContact CB-CD2 4.35Å; A2056-W2095 HydrophobicContact CB-CE3 4.09Å; A2056-W2095 HydrophobicContact CB-CH2 4.46Å; A2056-W2095 HydrophobicContact CB-CZ3 4.17Å; A2056-T2113 PolarHBondContact O-OG1 3.2Å; A2056-T2113 VanDerWaalsContact O-OG1 3.09Å | ||
| 2057 | V | 88.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116 | 173.7 | 179 | 0 | 0 | 0 | 0 | 107.4 | I2049 V2050 I2059 L2094 T2113 T2125 | I2049-V2057 HydrophobicContact CG2-CG1 3.67Å; V2050-V2057 CarbonylContact O-C 3.51Å; V2050-V2057 WeakPolarHBondContact O-CA 3.38Å; V2057-I2059 HydrophobicContact CG1-CG1 4.47Å; V2057-L2094 HydrophobicContact CB-CB 4.31Å; V2057-L2094 PolarHBondContact N-O 3.03Å; V2057-L2094 PolarHBondContact O-N 3.23Å; V2057-T2113 HydrophobicContact CG2-CG2 3.93Å; V2057-T2125 HydrophobicContact CB-CG2 4.45Å; V2057-T2125 HydrophobicContact CG1-CG2 3.73Å; V2057-T2125 HydrophobicContact CG2-CG2 3.87Å |
| 2058 | R | 89 | Confident | 80.5 | Confident | 15.25 Ų | 15.25 | 28.4 Ų | 28.4 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.9 | 175.6 | -66.3 | -170.4 | 176.7 | 141.9 | 5.5 | 110.4 | A2022 D2025 I2049 V2050 Y2052 F2060 L2090 T2093 | A2022-R2058 VanDerWaalsContact CB-NH2 3.34Å; D2025-R2058 IonicContact OD2-CZ 3.23Å; D2025-R2058 IonicContact OD2-NH2 3.71Å; D2025-R2058 PolarHBondContact OD2-NH2 2.94Å; I2049-R2058 CarbonylContact C-O 3.35Å; I2049-R2058 WeakPolarHBondContact CA-O 3.25Å; V2050-R2058 PolarHBondContact N-O 3.06Å; V2050-R2058 PolarHBondContact O-N 3.1Å; Y2052-R2058 HydrophobicContact CD2-CG 4.39Å; Y2052-R2058 HydrophobicContact CE2-CB 4.07Å; Y2052-R2058 HydrophobicContact CE2-CG 3.74Å; Y2052-R2058 PolarHBondContact OH-NH1 2.84Å; R2058-F2060 HydrophobicContact CB-CD2 4.39Å; R2058-F2060 HydrophobicContact CB-CE2 3.62Å; R2058-F2060 HydrophobicContact CB-CZ 3.99Å; R2058-L2090 HydrophobicContact CB-CD1 4.19Å; R2058-L2090 HydrophobicContact CG-CD1 4.43Å; R2058-T2093 HydrophobicContact CG-CG2 3.89Å |
| 2059 | I | 88.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.8 | 177.6 | -51.7 | -173.4 | 0 | 0 | 0 | 108.3 | I2048 I2049 V2057 I2091 D2092 L2094 A2123 H2135 I2137 I2145 | I2048-I2059 CarbonylContact O-C 3.54Å; I2049-I2059 HydrophobicContact CG1-CB 4.42Å; I2049-I2059 HydrophobicContact CG1-CD1 4.43Å; I2049-I2059 HydrophobicContact CG1-CG1 4.01Å; I2049-I2059 HydrophobicContact CG1-CG2 4.02Å; I2049-I2059 HydrophobicContact CG2-CG1 4.36Å; V2057-I2059 HydrophobicContact CG1-CG1 4.47Å; I2059-I2091 HydrophobicContact CB-CB 4.46Å; I2059-I2091 HydrophobicContact CG2-CB 4.42Å; I2059-I2091 HydrophobicContact CG2-CD1 3.95Å; I2059-I2091 WeakPolarHBondContact O-CB 3.33Å; I2059-I2091 PolarHBondContact O-N 3.15Å; I2059-D2092 PolarHBondContact N-O 2.88Å; I2059-D2092 VanDerWaalsContact N-O 3.1Å; I2059-D2092 PolarHBondContact O-N 3.43Å; I2059-L2094 HydrophobicContact CD1-CD1 4.31Å; I2059-A2123 HydrophobicContact CD1-CB 4.29Å; I2059-H2135 HydrophobicContact CD1-CB 4.46Å; I2059-I2137 HydrophobicContact CD1-CD1 4.22Å; I2059-I2137 HydrophobicContact CD1-CG1 4.36Å; I2059-I2137 HydrophobicContact CG2-CD1 3.89Å; I2059-I2145 HydrophobicContact CD1-CD1 3.85Å; I2059-I2145 HydrophobicContact CD1-CG1 4.38Å |
| 2060 | F | 88.1 | Confident | 76.1 | Confident | 16.75 Ų | 16.75 | 37.5 Ų | 37.5 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.5 | 177.3 | -58.6 | -88.5 | 0 | 0 | 0 | 110.7 | L2019 H2047 I2048 V2050 R2058 F2088 Q2089 L2090 | L2019-F2060 HydrophobicContact CD1-CD1 4.36Å; L2019-F2060 HydrophobicContact CD1-CE1 4.15Å; L2019-F2060 HydrophobicContact CD2-CE1 3.97Å; L2019-F2060 HydrophobicContact CD2-CZ 4.12Å; H2047-F2060 CarbonylContact C-O 3.53Å; H2047-F2060 VanDerWaalsContact CA-O 3.31Å; H2047-F2060 WeakPolarHBondContact CA-O 3.29Å; I2048-F2060 HydrophobicContact CB-CB 4.31Å; I2048-F2060 PolarHBondContact N-O 3.11Å; I2048-F2060 PolarHBondContact O-N 3.07Å; V2050-F2060 HydrophobicContact CB-CE2 4.45Å; V2050-F2060 HydrophobicContact CG2-CD2 4.14Å; V2050-F2060 HydrophobicContact CG2-CE2 3.93Å; R2058-F2060 HydrophobicContact CB-CD2 4.39Å; R2058-F2060 HydrophobicContact CB-CE2 3.62Å; R2058-F2060 HydrophobicContact CB-CZ 3.99Å; F2060-F2088 HydrophobicContact CB-CD1 4.12Å; F2060-F2088 HydrophobicContact CD1-CD1 4.45Å; F2060-F2088 HydrophobicContact CG-CD1 4.35Å; F2060-Q2089 CarbonylContact C-O 3.43Å; F2060-Q2089 WeakPolarHBondContact CA-O 3.4Å; F2060-L2090 HydrophobicContact CD1-CB 4.15Å; F2060-L2090 HydrophobicContact CD1-CD1 3.95Å; F2060-L2090 HydrophobicContact CE1-CB 4.13Å; F2060-L2090 HydrophobicContact CE1-CD1 3.62Å; F2060-L2090 HydrophobicContact CE1-CG 4.44Å; F2060-L2090 HydrophobicContact CE2-CD1 4.47Å; F2060-L2090 HydrophobicContact CG-CD1 4.47Å; F2060-L2090 HydrophobicContact CZ-CD1 3.96Å |
| 2061 | L | 86.3 | Confident | 73.8 | Confident | 1.5 Ų | 1.5 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.2 | 162.9 | -175.4 | 62 | 0 | 0 | 0 | 108.3 | A2037 A2045 Y2046 H2047 H2063 F2088 Q2089 I2091 T2141 G2142 | A2037-L2061 HydrophobicContact CB-CD1 3.93Å; A2045-L2061 HydrophobicContact CB-CD1 4.17Å; Y2046-L2061 WeakPolarHBondContact O-CA 3.35Å; H2047-L2061 WeakPolarHBondContact ND1-CD1 3.45Å; L2061-H2063 VanDerWaalsContact CD2-NE2 3.27Å; L2061-H2063 WeakPolarHBondContact CD2-NE2 3.36Å; L2061-F2088 CarbonylContact O-C 3.46Å; L2061-F2088 WeakPolarHBondContact O-CA 3.26Å; L2061-Q2089 HydrophobicContact CB-CB 4.41Å; L2061-Q2089 PolarHBondContact N-O 3.15Å; L2061-Q2089 PolarHBondContact O-N 2.88Å; L2061-I2091 HydrophobicContact CB-CD1 3.97Å; L2061-I2091 HydrophobicContact CB-CG1 4.11Å; L2061-T2141 HydrophobicContact CD2-CG2 4.35Å; L2061-G2142 VanDerWaalsContact CD2-N 3.35Å |
| 2062 | C | 85 | Confident | 71.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | A2045 Y2046 I2048 L2086 Q2087 F2088 | A2045-C2062 CarbonylContact C-O 3.54Å; A2045-C2062 VanDerWaalsContact CA-O 3.25Å; A2045-C2062 WeakPolarHBondContact CA-O 3.18Å; Y2046-C2062 PolarHBondContact N-O 2.88Å; Y2046-C2062 PolarHBondContact O-N 3.03Å; I2048-C2062 HydrophobicContact CD1-CB 3.6Å; I2048-C2062 HydrophobicContact CG1-CB 4.39Å; C2062-L2086 VanDerWaalsContact SG-CD2 3.54Å; C2062-L2086 WeakPolarHBondContact SG-CD2 3.25Å; C2062-Q2087 CarbonylContact C-O 3.57Å; C2062-Q2087 WeakPolarHBondContact CA-O 3.36Å; C2062-F2088 HydrophobicContact CB-CD1 4.26Å; C2062-F2088 HydrophobicContact CB-CE1 4.27Å; C2062-F2088 HydrophobicContact CB-CZ 4.39Å |
| 2063 | H | 80.8 | Confident | 68.9 | Low | 23.25 Ų | 23.25 | 58.1 Ų | 58.1 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132 | 175.9 | -68.7 | -74.5 | 0 | 0 | 0 | 110.7 | L2061 R2065 L2086 Q2087 | L2061-H2063 VanDerWaalsContact CD2-NE2 3.27Å; L2061-H2063 WeakPolarHBondContact CD2-NE2 3.36Å; H2063-R2065 PolarHBondContact O-N 2.97Å; H2063-L2086 WeakPolarHBondContact O-CA 3.11Å; H2063-Q2087 HydrophobicContact CB-CB 4.45Å; H2063-Q2087 PolarHBondContact N-O 2.95Å; H2063-Q2087 PolarHBondContact O-N 3.11Å |
| 2064 | L | 72.7 | Confident | 66.4 | Low | 13.25 Ų | 13.25 | 67 Ų | 67 | 7% | 0.069 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 105.4 | 169.5 | -76.7 | 92 | 0 | 0 | 0 | 109.1 | F2043 N2044 Y2046 S2084 L2086 | F2043-L2064 WeakPolarHBondContact CB-O 3.38Å; N2044-L2064 HydrophobicContact CB-CB 4.49Å; N2044-L2064 HydrophobicContact CB-CD1 3.74Å; N2044-L2064 PolarHBondContact O-N 3.11Å; N2044-L2064 VanDerWaalsContact O-N 3.12Å; Y2046-L2064 HydrophobicContact CD2-CD1 3.75Å; Y2046-L2064 VanDerWaalsContact CD2-CD1 3.43Å; Y2046-L2064 HydrophobicContact CE2-CD1 3.4Å; Y2046-L2064 VanDerWaalsContact CE2-CD1 3.42Å; Y2046-L2064 HydrophobicContact CE2-CD2 4.31Å; Y2046-L2064 HydrophobicContact CE2-CG 4.2Å; L2064-S2084 WeakPolarHBondContact CD2-OG 3.13Å; L2064-L2086 HydrophobicContact CD1-CD2 3.59Å; L2064-L2086 HydrophobicContact CD2-CD2 4.1Å; L2064-L2086 HydrophobicContact CD2-CG 4.17Å; L2064-L2086 HydrophobicContact CG-CD2 3.77Å |
| 2065 | R | 66 | Low | 64.1 | Low | 127.25 Ų | 127.25 | 74 Ų | 74 | 48% | 0.48 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.4 | 173.2 | -72.7 | -175.5 | 176.1 | 173.8 | 0.4 | 110.1 | F2043 H2063 K2067 S2084 E2085 Q2087 | F2043-R2065 HydrophobicContact CD2-CG 4.25Å; F2043-R2065 HydrophobicContact CE2-CG 4.4Å; F2043-R2065 HydrophobicContact CG-CG 4.47Å; H2063-R2065 PolarHBondContact O-N 2.97Å; R2065-K2067 PolarHBondContact O-N 3.07Å; R2065-S2084 CarbonylContact O-C 3.51Å; R2065-S2084 VanDerWaalsContact O-CA 3.27Å; R2065-S2084 WeakPolarHBondContact O-CA 3.32Å; R2065-E2085 PolarHBondContact N-O 3.33Å; R2065-E2085 PolarHBondContact O-N 3.08Å; R2065-Q2087 VanDerWaalsContact CZ-OE1 3.31Å; R2065-Q2087 VanDerWaalsContact NH1-OE1 3.13Å |
| 2066 | P | 56.9 | Low | 61.8 | Low | 62.5 Ų | 62.5 | 79.4 Ų | 79.4 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132 | 171.4 | 26.1 | -31.4 | 0 | 0 | 0 | 109.7 | F2043 I2068 M2083 | F2043-P2066 VanDerWaalsContact CD1-CD 3.47Å; F2043-P2066 HydrophobicContact CD1-CG 4.22Å; F2043-P2066 HydrophobicContact CE1-CG 3.5Å; F2043-P2066 HydrophobicContact CZ-CG 4.14Å; P2066-I2068 PolarHBondContact O-N 3.04Å; P2066-I2068 VanDerWaalsContact O-N 3.11Å; P2066-M2083 CarbonylContact C-O 3.56Å; P2066-M2083 WeakPolarHBondContact CA-O 3.42Å |
| 2067 | K | 51.8 | Low | 59.3 | Low | 128.25 Ų | 128.25 | 88.3 Ų | 88.3 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | trans | -73.7 | 100.2 | 177.6 | -164.3 | 175.1 | -170.6 | 174.5 | 0 | 109.4 | R2065 S2069 M2083 E2085 | R2065-K2067 PolarHBondContact O-N 3.07Å; K2067-S2069 PolarHBondContact O-N 3.02Å; K2067-M2083 HydrophobicContact CB-CB 4.43Å; K2067-M2083 WeakPolarHBondContact CB-O 3.14Å; K2067-M2083 HydrophobicContact CD-CB 4.39Å; K2067-M2083 HydrophobicContact CD-CE 3.91Å; K2067-M2083 PolarHBondContact N-O 3.19Å; K2067-E2085 HydrophobicContact CB-CB 4.2Å; K2067-E2085 HydrophobicContact CG-CB 4.39Å | ||
| 2068 | I | 50.5 | Low | 56.6 | Low | 143 Ų | 143 | 96 Ų | 96 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | trans | -81.5 | 109.4 | 175.7 | -55.6 | 170.2 | 0 | 0 | 0 | 107.8 | P2066 | P2066-I2068 PolarHBondContact O-N 3.04Å; P2066-I2068 VanDerWaalsContact O-N 3.11Å | ||
| 2069 | S | 43.1 | Very low | 54.1 | Low | 69.75 Ų | 69.75 | 98.2 Ų | 98.2 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | trans | -70.1 | 131.3 | 173.5 | 84.1 | 0 | 0 | 0 | 0 | 110 | K2067 H2071 | K2067-S2069 PolarHBondContact O-N 3.02Å; S2069-H2071 VanDerWaalsContact C-N 3.33Å; S2069-H2071 PolarHBondContact O-N 2.98Å; S2069-H2071 VanDerWaalsContact O-N 3.11Å; S2069-H2071 PolarHBondContact OG-N 3.39Å | ||
| 2070 | P | 42.6 | Very low | 51.7 | Low | 121.25 Ų | 121.25 | 103 Ų | 103 | 79% | 0.787 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -76.1 | 4.3 | -176.6 | 28.7 | -33.6 | 0 | 0 | 0 | 114.7 | K2072 | P2070-K2072 PolarHBondContact O-N 3.2Å; P2070-K2072 VanDerWaalsContact O-N 3.1Å |
| 2071 | H | 42.8 | Very low | 49.5 | Very low | 159.75 Ų | 159.75 | 105.3 Ų | 105.3 | 74% | 0.74 | 53% | 0.529 | S | S | * | . | trans | -78.5 | 96.3 | 178.4 | -76.7 | -63.7 | 0 | 0 | 0 | 111.7 | S2069 G2073 | S2069-H2071 VanDerWaalsContact C-N 3.33Å; S2069-H2071 PolarHBondContact O-N 2.98Å; S2069-H2071 VanDerWaalsContact O-N 3.11Å; S2069-H2071 PolarHBondContact OG-N 3.39Å; H2071-G2073 PolarHBondContact O-N 3.14Å | ||
| 2072 | K | 37.4 | Very low | 47.6 | Very low | 203.75 Ų | 203.75 | 107.9 Ų | 107.9 | 89% | 0.886 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.5 | 85.8 | 170.1 | -71.3 | -178.7 | 175.1 | 179.7 | 0 | 114.2 | P2070 | P2070-K2072 PolarHBondContact O-N 3.2Å; P2070-K2072 VanDerWaalsContact O-N 3.1Å |
| 2073 | G | 36.8 | Very low | 45.8 | Very low | 73.75 Ų | 73.75 | 113.4 Ų | 113.4 | 76% | 0.76 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.2 | -5.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | H2071 | H2071-G2073 PolarHBondContact O-N 3.14Š|
| 2074 | R | 34.2 | Very low | 44.6 | Very low | 214.25 Ų | 214.25 | 113.5 Ų | 113.5 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | trans | -137.1 | 119.7 | 174.6 | -83.6 | -178.5 | 174.1 | 174 | -3.4 | 109.4 | V2076 | R2074-V2076 VanDerWaalsContact C-N 3.34Å; R2074-V2076 HydrophobicContact CB-CG2 4.42Å; R2074-V2076 PolarHBondContact O-N 3.06Å | ||
| 2075 | Y | 35.7 | Very low | 44.4 | Very low | 180.5 Ų | 180.5 | 118.1 Ų | 118.1 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -52.8 | 98.4 | 168.2 | -57.7 | -76.6 | 0 | 0 | 0 | 111.1 | Y2077 | Y2075-Y2077 VanDerWaalsContact C-N 3.29Å; Y2075-Y2077 HydrophobicContact CD1-CD2 4.22Å; Y2075-Y2077 AromaticContact CD1-CE2 3.34Å; Y2075-Y2077 HydrophobicContact CD1-CE2 3.34Å; Y2075-Y2077 AromaticContact CD1-CZ 3.9Å; Y2075-Y2077 AromaticContact CE1-CE2 3.97Å; Y2075-Y2077 HydrophobicContact CE1-CE2 3.97Å; Y2075-Y2077 AromaticContact CG-CE2 3.98Å; Y2075-Y2077 HydrophobicContact CG-CE2 3.98Å; Y2075-Y2077 PolarHBondContact O-N 3.19Å | ||
| 2076 | V | 33.5 | Very low | 44.8 | Very low | 112.75 Ų | 112.75 | 112.3 Ų | 112.3 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | trans | -93 | 103.8 | 159.2 | -179.9 | 0 | 0 | 0 | 0 | 105.3 | R2074 Q2078 | R2074-V2076 VanDerWaalsContact C-N 3.34Å; R2074-V2076 HydrophobicContact CB-CG2 4.42Å; R2074-V2076 PolarHBondContact O-N 3.06Å; V2076-Q2078 HydrophobicContact CG1-CG 4.15Å; V2076-Q2078 PolarHBondContact O-N 2.94Å | ||
| 2077 | Y | 34 | Very low | 45.9 | Very low | 186.5 Ų | 186.5 | 113.5 Ų | 113.5 | 73% | 0.731 | 58% | 0.581 | S | S | * | * | trans | -66 | 101.3 | 167.7 | -69.8 | -86.3 | 0 | 0 | 0 | 108.1 | V1612 Y2075 S2079 | V1612-Y2077 HydrophobicContact CG2-CE1 4.35Å; Y2075-Y2077 VanDerWaalsContact C-N 3.29Å; Y2075-Y2077 HydrophobicContact CD1-CD2 4.22Å; Y2075-Y2077 AromaticContact CD1-CE2 3.34Å; Y2075-Y2077 HydrophobicContact CD1-CE2 3.34Å; Y2075-Y2077 AromaticContact CD1-CZ 3.9Å; Y2075-Y2077 AromaticContact CE1-CE2 3.97Å; Y2075-Y2077 HydrophobicContact CE1-CE2 3.97Å; Y2075-Y2077 AromaticContact CG-CE2 3.98Å; Y2075-Y2077 HydrophobicContact CG-CE2 3.98Å; Y2075-Y2077 PolarHBondContact O-N 3.19Å; Y2077-S2079 VanDerWaalsContact C-N 3.25Å; Y2077-S2079 PolarHBondContact O-N 3.15Å | ||
| 2078 | Q | 32.1 | Very low | 47.4 | Very low | 162 Ų | 162 | 109 Ų | 109 | 76% | 0.757 | 56% | 0.561 | S | S | * | * | trans | -76.1 | 102.3 | 164.7 | -100.3 | 177.5 | -15 | 0 | 0 | 108.3 | Y1910 V2076 T2080 | Y1910-Q2078 PolarHBondContact OH-O 3.48Å; V2076-Q2078 HydrophobicContact CG1-CG 4.15Å; V2076-Q2078 PolarHBondContact O-N 2.94Å; Q2078-T2080 PolarHBondContact O-N 2.89Å | ||
| 2079 | S | 37.6 | Very low | 49 | Very low | 62.75 Ų | 62.75 | 106.7 Ų | 106.7 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | trans | -55.6 | 119.8 | 167.6 | 164.4 | 0 | 0 | 0 | 0 | 109.1 | Y2077 N2081 A2082 | Y2077-S2079 VanDerWaalsContact C-N 3.25Å; Y2077-S2079 PolarHBondContact O-N 3.15Å; S2079-N2081 PolarHBondContact O-N 3.26Å; S2079-N2081 WeakPolarHBondContact OG-CB 3.38Å; S2079-N2081 PolarHBondContact OG-N 3.05Å; S2079-A2082 WeakPolarHBondContact O-CA 3.37Å; S2079-A2082 WeakPolarHBondContact O-CB 3.37Å; S2079-A2082 PolarHBondContact O-N 3.26Å; S2079-A2082 PolarHBondContact OG-N 3.49Å | ||
| 2080 | T | 38.6 | Very low | 51 | Low | 101.25 Ų | 101.25 | 107.5 Ų | 107.5 | 62% | 0.621 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -18.6 | 179.2 | 46.4 | 0 | 0 | 0 | 0 | 113 | Y1910 Q2078 A2082 M2083 | Y1910-T2080 PolarHBondContact OH-N 2.98Å; Y1910-T2080 PolarHBondContact OH-OG1 3.47Å; Q2078-T2080 PolarHBondContact O-N 2.89Å; T2080-A2082 VanDerWaalsContact C-N 3.3Å; T2080-A2082 PolarHBondContact O-N 3.17Å; T2080-M2083 WeakPolarHBondContact O-CB 3.38Å; T2080-M2083 PolarHBondContact O-N 3.24Å |
| 2081 | N | 41.5 | Very low | 52.9 | Low | 65 Ų | 65 | 102.8 Ų | 102.8 | 35% | 0.348 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -15.4 | -174.4 | -60.9 | 4.3 | 0 | 0 | 0 | 113.6 | E1994 H2009 S2079 M2083 S2084 | E1994-N2081 VanDerWaalsContact CD-ND2 3.33Å; E1994-N2081 VanDerWaalsContact OE1-CB 3.26Å; E1994-N2081 WeakPolarHBondContact OE1-CB 3.29Å; E1994-N2081 VanDerWaalsContact OE1-CG 3.23Å; E1994-N2081 PolarHBondContact OE1-ND2 2.82Å; E1994-N2081 VanDerWaalsContact OE2-CB 3.24Å; E1994-N2081 WeakPolarHBondContact OE2-CB 2.9Å; E1994-N2081 PolarHBondContact OE2-ND2 2.9Å; H2009-N2081 PolarHBondContact CE1-ND2 2.85Å; H2009-N2081 PolarHBondContact NE2-ND2 3.15Å; S2079-N2081 PolarHBondContact O-N 3.26Å; S2079-N2081 WeakPolarHBondContact OG-CB 3.38Å; S2079-N2081 PolarHBondContact OG-N 3.05Å; N2081-M2083 VanDerWaalsContact C-N 3.27Å; N2081-M2083 PolarHBondContact O-N 3.06Å; N2081-M2083 VanDerWaalsContact O-N 3.11Å; N2081-S2084 WeakPolarHBondContact CA-OG 3.22Å; N2081-S2084 PolarHBondContact O-N 2.85Å; N2081-S2084 PolarHBondContact O-OG 2.65Å |
| 2082 | A | 45 | Very low | 54.9 | Low | 55.25 Ų | 55.25 | 98 Ų | 98 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -76.2 | 19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S2079 T2080 S2084 | S2079-A2082 WeakPolarHBondContact O-CA 3.37Å; S2079-A2082 WeakPolarHBondContact O-CB 3.37Å; S2079-A2082 PolarHBondContact O-N 3.26Å; S2079-A2082 PolarHBondContact OG-N 3.49Å; T2080-A2082 VanDerWaalsContact C-N 3.3Å; T2080-A2082 PolarHBondContact O-N 3.17Å; A2082-S2084 PolarHBondContact O-N 3.07Å |
| 2083 | M | 47.9 | Very low | 57.2 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | trans | -115.2 | 55.6 | 177.3 | -74.5 | -156.4 | 51.2 | 0 | 0 | 111.7 | P2066 K2067 T2080 N2081 E2085 | P2066-M2083 CarbonylContact C-O 3.56Å; P2066-M2083 WeakPolarHBondContact CA-O 3.42Å; K2067-M2083 HydrophobicContact CB-CB 4.43Å; K2067-M2083 WeakPolarHBondContact CB-O 3.14Å; K2067-M2083 HydrophobicContact CD-CB 4.39Å; K2067-M2083 HydrophobicContact CD-CE 3.91Å; K2067-M2083 PolarHBondContact N-O 3.19Å; T2080-M2083 WeakPolarHBondContact O-CB 3.38Å; T2080-M2083 PolarHBondContact O-N 3.24Å; N2081-M2083 VanDerWaalsContact C-N 3.27Å; N2081-M2083 PolarHBondContact O-N 3.06Å; N2081-M2083 VanDerWaalsContact O-N 3.11Å; M2083-E2085 PolarHBondContact O-N 3.33Å | ||
| 2084 | S | 56.3 | Low | 59.5 | Low | 24 Ų | 24 | 88.1 Ų | 88.1 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.9 | 174.5 | -34.9 | 0 | 0 | 0 | 0 | 109.9 | L2064 R2065 N2081 A2082 L2086 | L2064-S2084 WeakPolarHBondContact CD2-OG 3.13Å; R2065-S2084 CarbonylContact O-C 3.51Å; R2065-S2084 VanDerWaalsContact O-CA 3.27Å; R2065-S2084 WeakPolarHBondContact O-CA 3.32Å; N2081-S2084 WeakPolarHBondContact CA-OG 3.22Å; N2081-S2084 PolarHBondContact O-N 2.85Å; N2081-S2084 PolarHBondContact O-OG 2.65Å; A2082-S2084 PolarHBondContact O-N 3.07Å; S2084-L2086 PolarHBondContact O-N 3.2Å |
| 2085 | E | 67.1 | Low | 61.8 | Low | 111 Ų | 111 | 82.7 Ų | 82.7 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120 | 166.6 | -168.4 | 170.1 | -172.1 | 0 | 0 | 108.5 | R2065 K2067 M2083 Q2087 | R2065-E2085 PolarHBondContact N-O 3.33Å; R2065-E2085 PolarHBondContact O-N 3.08Å; K2067-E2085 HydrophobicContact CB-CB 4.2Å; K2067-E2085 HydrophobicContact CG-CB 4.39Å; M2083-E2085 PolarHBondContact O-N 3.33Å; E2085-Q2087 PolarHBondContact O-N 2.91Å |
| 2086 | L | 75.2 | Confident | 63.9 | Low | 5.75 Ų | 5.75 | 74.4 Ų | 74.4 | 3% | 0.03 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.4 | 175.1 | -71.8 | 164.8 | 0 | 0 | 0 | 109.3 | V2007 I2016 H2017 C2062 H2063 L2064 S2084 F2088 | V2007-L2086 HydrophobicContact CB-CD1 4.07Å; V2007-L2086 HydrophobicContact CG1-CD1 3.54Å; V2007-L2086 VanDerWaalsContact CG1-CD1 3.45Å; V2007-L2086 HydrophobicContact CG2-CD1 4.43Å; I2016-L2086 HydrophobicContact CB-CD1 4.18Å; I2016-L2086 HydrophobicContact CD1-CD1 4.48Å; I2016-L2086 HydrophobicContact CG2-CB 4.29Å; I2016-L2086 HydrophobicContact CG2-CD1 3.67Å; I2016-L2086 HydrophobicContact CG2-CG 4.23Å; H2017-L2086 HydrophobicContact CB-CB 4.45Å; H2017-L2086 HydrophobicContact CB-CD1 4.38Å; C2062-L2086 VanDerWaalsContact SG-CD2 3.54Å; C2062-L2086 WeakPolarHBondContact SG-CD2 3.25Å; H2063-L2086 WeakPolarHBondContact O-CA 3.11Å; L2064-L2086 HydrophobicContact CD1-CD2 3.59Å; L2064-L2086 HydrophobicContact CD2-CD2 4.1Å; L2064-L2086 HydrophobicContact CD2-CG 4.17Å; L2064-L2086 HydrophobicContact CG-CD2 3.77Å; S2084-L2086 PolarHBondContact O-N 3.2Å; L2086-F2088 HydrophobicContact CB-CD2 4.43Å; L2086-F2088 HydrophobicContact CB-CE2 4.07Å; L2086-F2088 HydrophobicContact CD1-CE2 4.4Å |
| 2087 | Q | 79.7 | Confident | 66.2 | Low | 87.25 Ų | 87.25 | 69.3 Ų | 69.3 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.5 | 172.1 | -119.5 | -177.3 | -6.5 | 0 | 0 | 110.1 | C2062 H2063 R2065 E2085 | C2062-Q2087 CarbonylContact C-O 3.57Å; C2062-Q2087 WeakPolarHBondContact CA-O 3.36Å; H2063-Q2087 HydrophobicContact CB-CB 4.45Å; H2063-Q2087 PolarHBondContact N-O 2.95Å; H2063-Q2087 PolarHBondContact O-N 3.11Å; R2065-Q2087 VanDerWaalsContact CZ-OE1 3.31Å; R2065-Q2087 VanDerWaalsContact NH1-OE1 3.13Å; E2085-Q2087 PolarHBondContact O-N 2.91Å |
| 2088 | F | 83.4 | Confident | 68.1 | Low | 33 Ų | 33 | 61.2 Ų | 61.2 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.4 | 175.7 | -77.2 | -104.6 | 0 | 0 | 0 | 110.9 | L1997 L2005 V2007 H2017 L2019 I2048 F2060 L2061 C2062 L2086 | L1997-F2088 HydrophobicContact CD2-CZ 4.34Å; L2005-F2088 HydrophobicContact CD2-CE1 4.29Å; V2007-F2088 HydrophobicContact CG2-CE2 3.73Å; V2007-F2088 HydrophobicContact CG2-CZ 3.49Å; V2007-F2088 VanDerWaalsContact CG2-CZ 3.49Å; H2017-F2088 HydrophobicContact CB-CD2 4.49Å; H2017-F2088 HydrophobicContact CB-CE2 4.29Å; H2017-F2088 AromaticContact CD2-CD2 3.27Å; H2017-F2088 WeakPolarHBondContact CD2-CD2 3.31Å; H2017-F2088 AromaticContact CD2-CE2 3.51Å; H2017-F2088 VanDerWaalsContact CD2-CE2 3.49Å; H2017-F2088 WeakPolarHBondContact CD2-CE2 3.37Å; H2017-F2088 AromaticContact CG-CD2 3.88Å; H2017-F2088 AromaticContact CG-CE2 3.99Å; H2017-F2088 AromaticContact NE2-CD2 3.59Å; L2019-F2088 HydrophobicContact CD1-CB 3.82Å; L2019-F2088 VanDerWaalsContact CD1-CB 3.47Å; L2019-F2088 HydrophobicContact CD1-CD1 3.43Å; L2019-F2088 VanDerWaalsContact CD1-CD1 3.4Å; L2019-F2088 HydrophobicContact CD1-CD2 4.18Å; L2019-F2088 HydrophobicContact CD1-CE1 3.91Å; L2019-F2088 HydrophobicContact CD1-CE2 4.32Å; L2019-F2088 HydrophobicContact CD1-CG 3.56Å; L2019-F2088 VanDerWaalsContact CD1-CG 3.48Å; L2019-F2088 HydrophobicContact CD1-CZ 4.12Å; L2019-F2088 HydrophobicContact CD2-CB 4.05Å; L2019-F2088 HydrophobicContact CD2-CG 4.33Å; L2019-F2088 HydrophobicContact CG-CD1 4.49Å; L2019-F2088 HydrophobicContact CG-CD2 4.49Å; L2019-F2088 HydrophobicContact CG-CG 4.35Å; I2048-F2088 HydrophobicContact CD1-CD1 4.29Å; I2048-F2088 HydrophobicContact CD1-CE1 3.34Å; I2048-F2088 HydrophobicContact CD1-CZ 3.78Å; F2060-F2088 HydrophobicContact CB-CD1 4.12Å; F2060-F2088 HydrophobicContact CD1-CD1 4.45Å; F2060-F2088 HydrophobicContact CG-CD1 4.35Å; L2061-F2088 CarbonylContact O-C 3.46Å; L2061-F2088 WeakPolarHBondContact O-CA 3.26Å; C2062-F2088 HydrophobicContact CB-CD1 4.26Å; C2062-F2088 HydrophobicContact CB-CE1 4.27Å; C2062-F2088 HydrophobicContact CB-CZ 4.39Å; L2086-F2088 HydrophobicContact CB-CD2 4.43Å; L2086-F2088 HydrophobicContact CB-CE2 4.07Å; L2086-F2088 HydrophobicContact CD1-CE2 4.4Å |
| 2089 | Q | 83.5 | Confident | 69.7 | Low | 94.75 Ų | 94.75 | 58.7 Ų | 58.7 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121 | 172.1 | -178.7 | 179.8 | 2.6 | 0 | 0 | 108.9 | F2060 L2061 I2091 | F2060-Q2089 CarbonylContact C-O 3.43Å; F2060-Q2089 WeakPolarHBondContact CA-O 3.4Å; L2061-Q2089 HydrophobicContact CB-CB 4.41Å; L2061-Q2089 PolarHBondContact N-O 3.15Å; L2061-Q2089 PolarHBondContact O-N 2.88Å; Q2089-I2091 PolarHBondContact O-N 3.01Å |
| 2090 | L | 85.4 | Confident | 70.8 | Confident | 86.75 Ų | 86.75 | 63.2 Ų | 63.2 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123 | 172.6 | -179.2 | 67.5 | 0 | 0 | 0 | 109.3 | R2058 F2060 D2092 T2093 | R2058-L2090 HydrophobicContact CB-CD1 4.19Å; R2058-L2090 HydrophobicContact CG-CD1 4.43Å; F2060-L2090 HydrophobicContact CD1-CB 4.15Å; F2060-L2090 HydrophobicContact CD1-CD1 3.95Å; F2060-L2090 HydrophobicContact CE1-CB 4.13Å; F2060-L2090 HydrophobicContact CE1-CD1 3.62Å; F2060-L2090 HydrophobicContact CE1-CG 4.44Å; F2060-L2090 HydrophobicContact CE2-CD1 4.47Å; F2060-L2090 HydrophobicContact CG-CD1 4.47Å; F2060-L2090 HydrophobicContact CZ-CD1 3.96Å; L2090-D2092 WeakPolarHBondContact CD1-O 3.21Å; L2090-T2093 HydrophobicContact CD1-CG2 3.99Å; L2090-T2093 HydrophobicContact CD2-CG2 3.84Å; L2090-T2093 HydrophobicContact CG-CG2 4.35Å |
| 2091 | I | 83.7 | Confident | 71.6 | Confident | 22.25 Ų | 22.25 | 62 Ų | 62 | 11% | 0.114 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -52.6 | 174.4 | -62.4 | 171.9 | 0 | 0 | 0 | 109.5 | I2059 L2061 Q2089 I2137 S2143 | I2059-I2091 HydrophobicContact CB-CB 4.46Å; I2059-I2091 HydrophobicContact CG2-CB 4.42Å; I2059-I2091 HydrophobicContact CG2-CD1 3.95Å; I2059-I2091 WeakPolarHBondContact O-CB 3.33Å; I2059-I2091 PolarHBondContact O-N 3.15Å; L2061-I2091 HydrophobicContact CB-CD1 3.97Å; L2061-I2091 HydrophobicContact CB-CG1 4.11Å; Q2089-I2091 PolarHBondContact O-N 3.01Å; I2091-I2137 HydrophobicContact CD1-CG2 4.28Å; I2091-S2143 WeakPolarHBondContact CG2-O 3.44Å |
| 2092 | D | 84.1 | Confident | 72 | Confident | 59.5 Ų | 59.5 | 61.9 Ų | 61.9 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 159.6 | -177.6 | -146.9 | -15.6 | 0 | 0 | 0 | 112.4 | I2059 L2090 I2145 | I2059-D2092 PolarHBondContact N-O 2.88Å; I2059-D2092 VanDerWaalsContact N-O 3.1Å; I2059-D2092 PolarHBondContact O-N 3.43Å; L2090-D2092 WeakPolarHBondContact CD1-O 3.21Å; D2092-I2145 HydrophobicContact CB-CD1 3.72Å; D2092-I2145 HydrophobicContact CB-CG1 4.21Å |
| 2093 | T | 85.3 | Confident | 72.3 | Confident | 40.75 Ų | 40.75 | 64.1 Ų | 64.1 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 112.5 | 170.3 | -39.9 | 0 | 0 | 0 | 0 | 109.2 | R2058 L2090 | R2058-T2093 HydrophobicContact CG-CG2 3.89Å; L2090-T2093 HydrophobicContact CD1-CG2 3.99Å; L2090-T2093 HydrophobicContact CD2-CG2 3.84Å; L2090-T2093 HydrophobicContact CG-CG2 4.35Å |
| 2094 | L | 85.2 | Confident | 72.2 | Confident | 28.75 Ų | 28.75 | 63.6 Ų | 63.6 | 15% | 0.151 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | -176.1 | -61.2 | 164.8 | 0 | 0 | 0 | 110.3 | A2056 V2057 I2059 S2096 H2135 I2145 | A2056-L2094 CarbonylContact C-O 3.55Å; A2056-L2094 WeakPolarHBondContact CA-O 3.32Å; V2057-L2094 HydrophobicContact CB-CB 4.31Å; V2057-L2094 PolarHBondContact N-O 3.03Å; V2057-L2094 PolarHBondContact O-N 3.23Å; I2059-L2094 HydrophobicContact CD1-CD1 4.31Å; L2094-S2096 VanDerWaalsContact C-N 3.3Å; L2094-S2096 PolarHBondContact O-N 3.05Å; L2094-H2135 HydrophobicContact CD1-CB 4.48Å; L2094-H2135 WeakPolarHBondContact CD1-CE1 3.45Å; L2094-H2135 VanDerWaalsContact CD1-ND1 3.34Å; L2094-H2135 WeakPolarHBondContact CD1-ND1 3.21Å; L2094-I2145 HydrophobicContact CD1-CD1 3.31Å; L2094-I2145 HydrophobicContact CD2-CD1 3.87Å; L2094-I2145 HydrophobicContact CG-CD1 3.79Å |
| 2095 | W | 82.9 | Confident | 71.5 | Confident | 101.5 Ų | 101.5 | 66.3 Ų | 66.3 | 38% | 0.384 | 36% | 0.357 | S | S | . | . | trans | -97.5 | 40.2 | 178.5 | -64.8 | 85.7 | 0 | 0 | 0 | 111.8 | D2025 A2056 H2097 S2098 H2101 | D2025-W2095 HydrophobicContact CB-CH2 4.43Å; D2025-W2095 VanDerWaalsContact CG-CH2 3.44Å; D2025-W2095 WeakPolarHBondContact OD1-CH2 3.46Å; D2025-W2095 WeakPolarHBondContact OD1-CZ3 3.4Å; D2025-W2095 VanDerWaalsContact OD2-CH2 3.28Å; D2025-W2095 WeakPolarHBondContact OD2-CH2 3.42Å; D2025-W2095 WeakPolarHBondContact OD2-CZ2 3.38Å; A2056-W2095 HydrophobicContact CB-CD2 4.35Å; A2056-W2095 HydrophobicContact CB-CE3 4.09Å; A2056-W2095 HydrophobicContact CB-CH2 4.46Å; A2056-W2095 HydrophobicContact CB-CZ3 4.17Å; W2095-H2097 PolarHBondContact O-N 3.18Å; W2095-H2097 VanDerWaalsContact O-N 3.13Å; W2095-S2098 WeakPolarHBondContact O-CB 3.3Å; W2095-S2098 PolarHBondContact O-N 3.17Å; W2095-S2098 PolarHBondContact O-OG 3.27Å; W2095-S2098 VanDerWaalsContact O-OG 3.05Å; W2095-H2101 WeakPolarHBondContact O-CB 3.31Å | ||
| 2096 | S | 80.2 | Confident | 70.4 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.7 | -170.3 | -33.8 | 0 | 0 | 0 | 0 | 114.1 | L2094 N2129 W2133 H2135 | L2094-S2096 VanDerWaalsContact C-N 3.3Å; L2094-S2096 PolarHBondContact O-N 3.05Å; S2096-N2129 PolarHBondContact O-ND2 2.82Å; S2096-W2133 PolarHBondContact O-NE1 3.16Å; S2096-H2135 PolarHBondContact OG-CE1 3.01Å; S2096-H2135 PolarHBondContact OG-NE2 3.02Å |
| 2097 | H | 81.2 | Confident | 69 | Low | 4.25 Ų | 4.25 | 66.6 Ų | 66.6 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 18.1 | -177.2 | -56.3 | -70.5 | 0 | 0 | 0 | 113 | G2055 W2095 G2112 T2113 T2125 G2127 N2129 E2131 W2133 | G2055-H2097 VanDerWaalsContact CA-C 3.49Å; G2055-H2097 WeakPolarHBondContact CA-O 3.32Å; G2055-H2097 PolarHBondContact O-N 3.02Å; G2055-H2097 VanDerWaalsContact O-N 3.11Å; W2095-H2097 PolarHBondContact O-N 3.18Å; W2095-H2097 VanDerWaalsContact O-N 3.13Å; H2097-G2112 PolarHBondContact O-N 3Å; H2097-G2112 VanDerWaalsContact O-N 3.16Å; H2097-T2113 HydrophobicContact CB-CG2 3.57Å; H2097-T2113 PolarHBondContact CD2-OG1 2.91Å; H2097-T2125 WeakPolarHBondContact NE2-CB 3.37Å; H2097-T2125 PolarHBondContact NE2-OG1 3.11Å; H2097-G2127 PolarHBondContact CE1-N 3.09Å; H2097-G2127 VanDerWaalsContact CE1-N 3.31Å; H2097-G2127 WeakPolarHBondContact ND1-CA 3.37Å; H2097-G2127 PolarHBondContact ND1-N 3.07Å; H2097-N2129 PolarHBondContact ND1-OD1 3.15Å; H2097-E2131 PolarHBondContact CE1-O 3.19Å; H2097-E2131 VanDerWaalsContact CE1-O 3.27Å; H2097-W2133 AromaticContact CE1-CD1 3.54Å; H2097-W2133 AromaticContact NE2-CD1 3.95Å |
| 2098 | S | 74.6 | Confident | 67.5 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 12% | 0.119 | 40% | 0.399 | C | S | . | . | trans | -67.8 | 149.2 | 176.2 | 163.5 | 0 | 0 | 0 | 0 | 111.2 | W2095 N2100 H2101 | W2095-S2098 WeakPolarHBondContact O-CB 3.3Å; W2095-S2098 PolarHBondContact O-N 3.17Å; W2095-S2098 PolarHBondContact O-OG 3.27Å; W2095-S2098 VanDerWaalsContact O-OG 3.05Å; S2098-N2100 PolarHBondContact O-N 3.25Å; S2098-N2100 VanDerWaalsContact O-N 3.15Å; S2098-N2100 PolarHBondContact OG-N 3.09Å; S2098-H2101 WeakPolarHBondContact O-CA 3.34Å; S2098-H2101 VanDerWaalsContact O-CB 3.3Å; S2098-H2101 WeakPolarHBondContact O-CB 3.42Å; S2098-H2101 PolarHBondContact O-N 2.87Å; S2098-H2101 PolarHBondContact OG-N 3.13Å | ||
| 2099 | I | 64.8 | Low | 65.9 | Low | 110.5 Ų | 110.5 | 75.3 Ų | 75.3 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -55.9 | -33.8 | 176.4 | -60.4 | 166.4 | 0 | 0 | 0 | 111.3 | H2101 N2102 N2110 | I2099-H2101 VanDerWaalsContact C-N 3.28Å; I2099-H2101 PolarHBondContact O-N 3.01Å; I2099-N2102 WeakPolarHBondContact O-CB 3.14Å; I2099-N2102 PolarHBondContact O-N 2.73Å; I2099-N2102 PolarHBondContact O-ND2 3.16Å; I2099-N2110 WeakPolarHBondContact CD1-OD1 3.27Å |
| 2100 | N | 60.5 | Low | 64.5 | Low | 156.25 Ų | 156.25 | 76.8 Ų | 76.8 | 84% | 0.836 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -72.9 | -17.2 | 179.7 | -66.6 | -12.6 | 0 | 0 | 0 | 113 | S2098 N2102 | S2098-N2100 PolarHBondContact O-N 3.25Å; S2098-N2100 VanDerWaalsContact O-N 3.15Å; S2098-N2100 PolarHBondContact OG-N 3.09Å; N2100-N2102 VanDerWaalsContact C-N 3.26Å; N2100-N2102 PolarHBondContact O-N 3.35Å |
| 2101 | H | 56.4 | Low | 63.4 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -88.4 | 28.2 | 179.8 | -136.8 | -73.1 | 0 | 0 | 0 | 112.2 | W2095 S2098 I2099 V2103 W2133 | W2095-H2101 WeakPolarHBondContact O-CB 3.31Å; S2098-H2101 WeakPolarHBondContact O-CA 3.34Å; S2098-H2101 VanDerWaalsContact O-CB 3.3Å; S2098-H2101 WeakPolarHBondContact O-CB 3.42Å; S2098-H2101 PolarHBondContact O-N 2.87Å; S2098-H2101 PolarHBondContact OG-N 3.13Å; I2099-H2101 VanDerWaalsContact C-N 3.28Å; I2099-H2101 PolarHBondContact O-N 3.01Å; H2101-V2103 VanDerWaalsContact C-N 3.28Å; H2101-V2103 PolarHBondContact O-N 3.11Å; H2101-W2133 AromaticContact CE1-CH2 3.93Å; H2101-W2133 AromaticContact CE1-CZ2 3.88Å |
| 2102 | N | 50.1 | Low | 63.1 | Low | 62.5 Ų | 62.5 | 73.1 Ų | 73.1 | 33% | 0.334 | 42% | 0.419 | S | S | . | . | trans | -83.4 | 77.2 | 179.3 | -138.9 | -8.3 | 0 | 0 | 0 | 110.5 | I2099 N2100 N2104 G2105 | I2099-N2102 WeakPolarHBondContact O-CB 3.14Å; I2099-N2102 PolarHBondContact O-N 2.73Å; I2099-N2102 PolarHBondContact O-ND2 3.16Å; N2100-N2102 VanDerWaalsContact C-N 3.26Å; N2100-N2102 PolarHBondContact O-N 3.35Å; N2102-N2104 PolarHBondContact O-N 3.06Å; N2102-N2104 VanDerWaalsContact O-N 3.07Å; N2102-N2104 PolarHBondContact OD1-O 3.03Å; N2102-G2105 PolarHBondContact OD1-N 2.69Å | ||
| 2103 | V | 51.7 | Low | 63.1 | Low | 102 Ų | 102 | 70.3 Ų | 70.3 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | H2101 | H2101-V2103 VanDerWaalsContact C-N 3.28Å; H2101-V2103 PolarHBondContact O-N 3.11Å |
| 2104 | N | 44.4 | Very low | 63 | Low | 105.5 Ų | 105.5 | 71.1 Ų | 71.1 | 56% | 0.564 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -121.1 | 55 | -175.1 | -74.3 | -2.2 | 0 | 0 | 0 | 112.9 | N2102 G2106 K2152 | N2102-N2104 PolarHBondContact O-N 3.06Å; N2102-N2104 VanDerWaalsContact O-N 3.07Å; N2102-N2104 PolarHBondContact OD1-O 3.03Å; N2104-G2106 VanDerWaalsContact C-N 3.27Å; N2104-G2106 PolarHBondContact O-N 2.95Å; N2104-G2106 VanDerWaalsContact O-N 3.13Å; N2104-K2152 VanDerWaalsContact CG-NZ 3.27Å; N2104-K2152 PolarHBondContact ND2-NZ 3.19Å; N2104-K2152 VanDerWaalsContact ND2-NZ 3.13Å; N2104-K2152 PolarHBondContact OD1-NZ 3.46Å |
| 2105 | G | 43 | Very low | 63 | Low | 80.5 Ų | 80.5 | 70.2 Ų | 70.2 | 83% | 0.83 | 40% | 0.402 | S | S | * | . | trans | -3 | 40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 116.9 | N2102 | N2102-G2105 PolarHBondContact OD1-N 2.69Š| ||
| 2106 | G | 43.5 | Very low | 63.2 | Low | 56 Ų | 56 | 66.3 Ų | 66.3 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | trans | -133.5 | 53.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N2104 | N2104-G2106 VanDerWaalsContact C-N 3.27Å; N2104-G2106 PolarHBondContact O-N 2.95Å; N2104-G2106 VanDerWaalsContact O-N 3.13Å | ||
| 2107 | V | 46.6 | Very low | 63.5 | Low | 66.75 Ų | 66.75 | 66.5 Ų | 66.5 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | trans | 157.1 | 96.7 | 179.6 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | E2109 | V2107-E2109 HydrophobicContact CG1-CB 4.07Å; V2107-E2109 HydrophobicContact CG1-CG 4.27Å; V2107-E2109 PolarHBondContact O-N 3.21Å | ||
| 2108 | Q | 47.8 | Very low | 63.6 | Low | 184.25 Ų | 184.25 | 67 Ų | 67 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | trans | -77.6 | 16.1 | 172.1 | -73.3 | -177.8 | -11.3 | 0 | 0 | 112.1 | N2110 | Q2108-N2110 VanDerWaalsContact C-N 3.3Å; Q2108-N2110 PolarHBondContact O-N 3.06Å | ||
| 2109 | E | 49.8 | Very low | 63.8 | Low | 119.5 Ų | 119.5 | 71.7 Ų | 71.7 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | trans | -100.1 | 104.5 | 177.5 | -65.5 | -169.3 | 175 | 0 | 0 | 110 | V2107 G2111 G2128 K2173 | V2107-E2109 HydrophobicContact CG1-CB 4.07Å; V2107-E2109 HydrophobicContact CG1-CG 4.27Å; V2107-E2109 PolarHBondContact O-N 3.21Å; E2109-G2111 PolarHBondContact O-N 3.34Å; E2109-G2128 CarbonylContact O-C 3.58Å; E2109-G2128 VanDerWaalsContact O-C 3.22Å; E2109-G2128 VanDerWaalsContact O-O 3.05Å; E2109-K2173 VanDerWaalsContact CD-NZ 3.3Å; E2109-K2173 IonicContact OE1-NZ 2.88Å; E2109-K2173 PolarHBondContact OE1-NZ 3.46Å; E2109-K2173 VanDerWaalsContact OE1-NZ 3.07Å; E2109-K2173 IonicContact OE2-NZ 3.35Å; E2109-K2173 PolarHBondContact OE2-NZ 3.36Å | ||
| 2110 | N | 54.6 | Low | 64.3 | Low | 125.25 Ų | 125.25 | 70.3 Ų | 70.3 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | trans | -3.3 | 84.3 | 165.9 | -58.5 | -22.4 | 0 | 0 | 0 | 113.7 | I2099 Q2108 G2128 | I2099-N2110 WeakPolarHBondContact CD1-OD1 3.27Å; Q2108-N2110 VanDerWaalsContact C-N 3.3Å; Q2108-N2110 PolarHBondContact O-N 3.06Å; N2110-G2128 CarbonylContact O-C 3.49Å; N2110-G2128 WeakPolarHBondContact O-CA 3.34Å | ||
| 2111 | G | 61.8 | Low | 65.1 | Low | 24.75 Ų | 24.75 | 63.5 Ų | 63.5 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | trans | -83.3 | 131.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | E2109 G2128 | E2109-G2111 PolarHBondContact O-N 3.34Å; G2111-G2128 WeakPolarHBondContact O-CA 3.41Å; G2111-G2128 PolarHBondContact O-N 3.16Å | ||
| 2112 | G | 77.7 | Confident | 66.4 | Low | 7.25 Ų | 7.25 | 59.9 Ų | 59.9 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | trans | 116 | 162.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2053 H2097 L2114 G2127 G2128 | A2053-G2112 VanDerWaalsContact O-CA 3.31Å; A2053-G2112 WeakPolarHBondContact O-CA 3.27Å; H2097-G2112 PolarHBondContact O-N 3Å; H2097-G2112 VanDerWaalsContact O-N 3.16Å; G2112-L2114 PolarHBondContact O-N 3.13Å; G2112-G2127 CarbonylContact O-C 3.49Å; G2112-G2127 WeakPolarHBondContact O-CA 3.41Å; G2112-G2128 PolarHBondContact O-N 3.2Å | ||
| 2113 | T | 83.3 | Confident | 68.2 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 109.5 | 177.3 | -34.5 | 0 | 0 | 0 | 0 | 110.3 | Q2030 C2031 G2051 Y2052 G2055 A2056 V2057 H2097 V2116 G2126 | Q2030-T2113 WeakPolarHBondContact CB-O 3.35Å; Q2030-T2113 PolarHBondContact OE1-O 3.26Å; C2031-T2113 PolarHBondContact SG-O 2.83Å; C2031-T2113 VanDerWaalsContact SG-O 3.41Å; G2051-T2113 WeakPolarHBondContact CA-OG1 3.19Å; Y2052-T2113 PolarHBondContact N-OG1 3.24Å; Y2052-T2113 PolarHBondContact O-N 3.32Å; Y2052-T2113 VanDerWaalsContact O-N 3.11Å; Y2052-T2113 PolarHBondContact O-OG1 3.2Å; Y2052-T2113 VanDerWaalsContact O-OG1 3.09Å; G2055-T2113 VanDerWaalsContact C-CG2 3.49Å; G2055-T2113 VanDerWaalsContact CA-CG2 3.48Å; G2055-T2113 PolarHBondContact O-OG1 3.19Å; A2056-T2113 PolarHBondContact O-OG1 3.2Å; A2056-T2113 VanDerWaalsContact O-OG1 3.09Å; V2057-T2113 HydrophobicContact CG2-CG2 3.93Å; H2097-T2113 HydrophobicContact CB-CG2 3.57Å; H2097-T2113 PolarHBondContact CD2-OG1 2.91Å; T2113-V2116 HydrophobicContact CG2-CG1 3.92Å; T2113-V2116 HydrophobicContact CG2-CG2 3.84Å; T2113-G2126 CarbonylContact C-O 3.55Å; T2113-G2126 WeakPolarHBondContact CA-O 3.29Å |
| 2114 | L | 82.8 | Confident | 70 | Confident | 56.75 Ų | 56.75 | 52.1 Ų | 52.1 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -34.4 | -176 | -62.6 | 174.3 | 0 | 0 | 0 | 112.4 | C2031 G2112 T2125 G2126 A2157 V2158 I2159 V2161 | C2031-L2114 VanDerWaalsContact SG-C 3.56Å; G2112-L2114 PolarHBondContact O-N 3.13Å; L2114-T2125 CarbonylContact O-C 3.6Å; L2114-T2125 WeakPolarHBondContact O-CA 3.39Å; L2114-T2125 WeakPolarHBondContact O-CB 3.19Å; L2114-G2126 PolarHBondContact N-O 3.06Å; L2114-G2126 PolarHBondContact O-N 3.11Å; L2114-A2157 HydrophobicContact CD1-CB 3.94Å; L2114-V2158 WeakPolarHBondContact CB-O 3.39Å; L2114-V2158 WeakPolarHBondContact CD1-O 3.23Å; L2114-I2159 HydrophobicContact CD1-CG2 4.47Å; L2114-I2159 WeakPolarHBondContact CD1-O 3.16Å; L2114-V2161 HydrophobicContact CB-CG2 4.25Å |
| 2115 | C | 85.2 | Confident | 72.2 | Confident | 10.75 Ų | 10.75 | 47.1 Ų | 47.1 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144 | -176.5 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | C2031 T2033 I2049 V2124 T2125 G2126 A2160 V2161 | C2031-C2115 HydrophobicContact CB-CB 4.46Å; C2031-C2115 WeakPolarHBondContact CB-SG 3.41Å; C2031-C2115 WeakPolarHBondContact SG-CB 3.5Å; C2031-C2115 PolarHBondContact SG-N 2.68Å; C2031-C2115 CovalentContact SG-SG 2.06Å; C2031-C2115 PolarHBondContact SG-SG 2.75Å; T2033-C2115 HydrophobicContact CG2-CB 4.02Å; I2049-C2115 HydrophobicContact CG2-CB 3.98Å; C2115-V2124 CarbonylContact C-O 3.57Å; C2115-V2124 WeakPolarHBondContact CA-O 3.03Å; C2115-T2125 HydrophobicContact CB-CG2 4.02Å; C2115-T2125 WeakPolarHBondContact O-CA 3.39Å; C2115-G2126 PolarHBondContact N-O 3.07Å; C2115-G2126 VanDerWaalsContact N-O 3.16Å; C2115-G2126 PolarHBondContact O-N 3.1Å; C2115-A2160 VanDerWaalsContact SG-C 3.6Å; C2115-V2161 HydrophobicContact CB-CG1 4.02Å |
| 2116 | V | 87.2 | Confident | 74.4 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 143.6 | 176.1 | -120.3 | 0 | 0 | 0 | 0 | 110 | C2031 T2033 I2049 T2113 A2123 V2124 T2125 V2161 M2163 | C2031-V2116 HydrophobicContact CB-CG2 3.9Å; C2031-V2116 VanDerWaalsContact SG-CG2 3.51Å; T2033-V2116 HydrophobicContact CG2-CB 4.03Å; T2033-V2116 HydrophobicContact CG2-CG1 3.41Å; T2033-V2116 VanDerWaalsContact CG2-CG1 3.41Å; T2033-V2116 HydrophobicContact CG2-CG2 3.63Å; I2049-V2116 HydrophobicContact CB-CG1 4Å; I2049-V2116 HydrophobicContact CG2-CB 4.37Å; I2049-V2116 HydrophobicContact CG2-CG1 4Å; T2113-V2116 HydrophobicContact CG2-CG1 3.92Å; T2113-V2116 HydrophobicContact CG2-CG2 3.84Å; V2116-A2123 CarbonylContact O-C 3.5Å; V2116-A2123 WeakPolarHBondContact O-CA 3.25Å; V2116-V2124 CarbonylContact C-O 3.48Å; V2116-V2124 VanDerWaalsContact CA-O 3.29Å; V2116-V2124 WeakPolarHBondContact CA-O 3.26Å; V2116-V2124 PolarHBondContact N-O 3.07Å; V2116-V2124 PolarHBondContact O-N 3.26Å; V2116-T2125 HydrophobicContact CB-CG2 4.46Å; V2116-T2125 HydrophobicContact CG1-CG2 3.8Å; V2116-T2125 HydrophobicContact CG2-CG2 3.74Å; V2116-V2161 VanDerWaalsContact C-CG1 3.43Å; V2116-V2161 HydrophobicContact CB-CG1 4.25Å; V2116-V2161 HydrophobicContact CG2-CB 3.85Å; V2116-V2161 HydrophobicContact CG2-CG1 3.71Å; V2116-V2161 VanDerWaalsContact CG2-O 3.3Å; V2116-V2161 WeakPolarHBondContact CG2-O 3.45Å; V2116-M2163 HydrophobicContact CB-CB 4.29Å; V2116-M2163 HydrophobicContact CG1-CB 3.52Å |
| 2117 | A | 85.8 | Confident | 76.4 | Confident | 11.75 Ų | 11.75 | 40.6 Ų | 40.6 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | T2033 I2049 V2122 V2124 V2161 M2163 | T2033-A2117 HydrophobicContact CG2-CB 3.91Å; T2033-A2117 PolarHBondContact OG1-N 2.82Å; I2049-A2117 HydrophobicContact CD1-CB 3.6Å; A2117-V2122 CarbonylContact C-O 3.45Å; A2117-V2122 WeakPolarHBondContact CA-O 3.36Å; A2117-V2124 PolarHBondContact N-O 3.3Å; A2117-V2124 PolarHBondContact O-N 3.19Å; A2117-V2161 HydrophobicContact CB-CB 4.41Å; A2117-V2161 HydrophobicContact CB-CG1 3.71Å; A2117-V2161 HydrophobicContact CB-CG2 4.02Å; A2117-M2163 HydrophobicContact CB-CB 4.29Å; A2117-M2163 HydrophobicContact CB-CE 4.05Å; A2117-M2163 HydrophobicContact CB-CG 3.59Å; A2117-M2163 HydrophobicContact CB-SD 3.96Å; A2117-M2163 WeakPolarHBondContact O-CE 3.31Å |
| 2118 | S | 83.5 | Confident | 78.1 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148 | 176.9 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | T2033 S2034 S2035 F2120 C2121 V2122 M2163 | T2033-S2118 VanDerWaalsContact CG2-OG 3.29Å; T2033-S2118 WeakPolarHBondContact CG2-OG 3.23Å; T2033-S2118 PolarHBondContact OG1-N 2.98Å; T2033-S2118 PolarHBondContact OG1-OG 3.02Å; T2033-S2118 VanDerWaalsContact OG1-OG 3.05Å; S2034-S2118 VanDerWaalsContact C-OG 3.31Å; S2034-S2118 PolarHBondContact O-OG 3.26Å; S2035-S2118 WeakPolarHBondContact CB-O 3.44Å; S2035-S2118 VanDerWaalsContact CB-OG 3.23Å; S2035-S2118 WeakPolarHBondContact CB-OG 3.48Å; S2035-S2118 PolarHBondContact N-OG 3.45Å; S2035-S2118 WeakPolarHBondContact OG-CB 3.31Å; S2035-S2118 PolarHBondContact OG-OG 3.15Å; S2035-S2118 VanDerWaalsContact OG-OG 3.04Å; S2118-F2120 PolarHBondContact O-N 3.08Å; S2118-F2120 PolarHBondContact OG-N 3.28Å; S2118-C2121 PolarHBondContact O-N 3.48Å; S2118-V2122 CarbonylContact C-O 3.55Å; S2118-V2122 VanDerWaalsContact CA-O 3.27Å; S2118-V2122 WeakPolarHBondContact CA-O 3.35Å; S2118-V2122 WeakPolarHBondContact CB-O 3.26Å; S2118-V2122 PolarHBondContact N-O 2.99Å; S2118-M2163 WeakPolarHBondContact CB-SD 3.36Å; S2118-M2163 VanDerWaalsContact N-CE 3.32Å |
| 2119 | Y | 79.1 | Confident | 79.8 | Confident | 116.25 Ų | 116.25 | 30 Ų | 30 | 46% | 0.456 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 98.4 | 171 | -149.3 | -94 | 0 | 0 | 0 | 110.7 | C2036 C2121 V2122 M2163 S2165 | C2036-Y2119 HydrophobicContact CB-CD1 4.36Å; Y2119-C2121 VanDerWaalsContact C-N 3.27Å; Y2119-C2121 PolarHBondContact O-N 2.92Å; Y2119-C2121 VanDerWaalsContact O-N 3.12Å; Y2119-V2122 PolarHBondContact N-O 3.44Å; Y2119-V2122 WeakPolarHBondContact O-CB 3.41Å; Y2119-V2122 PolarHBondContact O-N 3.2Å; Y2119-V2122 VanDerWaalsContact O-N 3.14Å; Y2119-M2163 VanDerWaalsContact N-CE 3.28Å; Y2119-S2165 WeakPolarHBondContact CD1-O 3.46Å; Y2119-S2165 VanDerWaalsContact CE1-CA 3.45Å; Y2119-S2165 WeakPolarHBondContact CE1-O 3.36Å |
| 2120 | F | 74.7 | Confident | 81.4 | Confident | 81 Ų | 81 | 24.8 Ų | 24.8 | 36% | 0.355 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 27.6 | -52.5 | -178.4 | -85.8 | -79.8 | 0 | 0 | 0 | 113.9 | S2035 C2036 R2038 H2047 S2118 V2122 S2165 K2166 F2182 P2184 | S2035-F2120 PolarHBondContact OG-O 3.18Å; S2035-F2120 VanDerWaalsContact OG-O 3.05Å; C2036-F2120 WeakPolarHBondContact O-CA 3.44Å; R2038-F2120 HydrophobicContact CG-CE2 4.08Å; R2038-F2120 HydrophobicContact CG-CZ 4.16Å; H2047-F2120 PolarHBondContact ND1-O 3.06Å; S2118-F2120 PolarHBondContact O-N 3.08Å; S2118-F2120 PolarHBondContact OG-N 3.28Å; F2120-V2122 HydrophobicContact CB-CG2 4.41Å; F2120-V2122 PolarHBondContact O-N 3.26Å; F2120-V2122 VanDerWaalsContact O-N 3.11Å; F2120-S2165 WeakPolarHBondContact CD2-O 3.4Å; F2120-S2165 WeakPolarHBondContact CE2-O 3.42Å; F2120-K2166 HydrophobicContact CE2-CG 4.14Å; F2120-F2182 HydrophobicContact CB-CE2 4.39Å; F2120-F2182 HydrophobicContact CD2-CE2 4.43Å; F2120-F2182 HydrophobicContact CD2-CZ 4.38Å; F2120-P2184 HydrophobicContact CB-CB 3.95Å; F2120-P2184 HydrophobicContact CB-CG 4.27Å; F2120-P2184 HydrophobicContact CD1-CG 4.21Å; F2120-P2184 HydrophobicContact CG-CB 4.42Å; F2120-P2184 HydrophobicContact CG-CG 4.19Å |
| 2121 | C | 78.8 | Confident | 83 | Confident | 13.25 Ų | 13.25 | 19.3 Ų | 19.3 | 9% | 0.09 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -20.2 | 24.4 | -176.5 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | S2118 Y2119 I2137 R2139 | S2118-C2121 PolarHBondContact O-N 3.48Å; Y2119-C2121 VanDerWaalsContact C-N 3.27Å; Y2119-C2121 PolarHBondContact O-N 2.92Å; Y2119-C2121 VanDerWaalsContact O-N 3.12Å; C2121-I2137 HydrophobicContact CB-CB 4.31Å; C2121-I2137 WeakPolarHBondContact CB-O 3.42Å; C2121-I2137 WeakPolarHBondContact O-CA 3.43Å; C2121-I2137 WeakPolarHBondContact O-CB 3.33Å; C2121-I2137 PolarHBondContact O-N 3.4Å; C2121-R2139 HydrophobicContact CB-CG 4.5Å |
| 2122 | V | 83.4 | Confident | 84.3 | Confident | 2.75 Ų | 2.75 | 18.1 Ų | 18.1 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | A2117 S2118 Y2119 F2120 V2124 V2134 H2135 F2136 M2163 F2182 P2184 | A2117-V2122 CarbonylContact C-O 3.45Å; A2117-V2122 WeakPolarHBondContact CA-O 3.36Å; S2118-V2122 CarbonylContact C-O 3.55Å; S2118-V2122 VanDerWaalsContact CA-O 3.27Å; S2118-V2122 WeakPolarHBondContact CA-O 3.35Å; S2118-V2122 WeakPolarHBondContact CB-O 3.26Å; S2118-V2122 PolarHBondContact N-O 2.99Å; Y2119-V2122 PolarHBondContact N-O 3.44Å; Y2119-V2122 WeakPolarHBondContact O-CB 3.41Å; Y2119-V2122 PolarHBondContact O-N 3.2Å; Y2119-V2122 VanDerWaalsContact O-N 3.14Å; F2120-V2122 HydrophobicContact CB-CG2 4.41Å; F2120-V2122 PolarHBondContact O-N 3.26Å; F2120-V2122 VanDerWaalsContact O-N 3.11Å; V2122-V2124 HydrophobicContact CG1-CG2 4.42Å; V2122-V2134 HydrophobicContact CG1-CG1 3.65Å; V2122-V2134 VanDerWaalsContact CG1-CG1 3.46Å; V2122-H2135 WeakPolarHBondContact CA-O 3.39Å; V2122-F2136 HydrophobicContact CG1-CD1 4.45Å; V2122-F2136 HydrophobicContact CG1-CE1 4.37Å; V2122-F2136 HydrophobicContact CG2-CD1 3.73Å; V2122-F2136 HydrophobicContact CG2-CE1 3.95Å; V2122-M2163 HydrophobicContact CB-CE 4.33Å; V2122-M2163 HydrophobicContact CG1-CE 4.19Å; V2122-F2182 HydrophobicContact CB-CD2 4.5Å; V2122-F2182 HydrophobicContact CB-CE2 4.11Å; V2122-F2182 HydrophobicContact CB-CZ 4.47Å; V2122-F2182 HydrophobicContact CG1-CD2 4.37Å; V2122-F2182 HydrophobicContact CG1-CE2 4.26Å; V2122-F2182 HydrophobicContact CG1-CZ 4.5Å; V2122-F2182 HydrophobicContact CG2-CD2 4.11Å; V2122-F2182 HydrophobicContact CG2-CE2 3.72Å; V2122-F2182 HydrophobicContact CG2-CZ 4.46Å; V2122-P2184 HydrophobicContact CG2-CB 4.34Å |
| 2123 | A | 87.8 | Confident | 84.9 | Confident | 0.25 Ų | 0.25 | 19.5 Ų | 19.5 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I2049 I2059 V2116 V2134 H2135 I2137 | I2049-A2123 HydrophobicContact CD1-CB 3.42Å; I2049-A2123 VanDerWaalsContact CD1-CB 3.42Å; I2049-A2123 HydrophobicContact CG1-CB 3.92Å; I2059-A2123 HydrophobicContact CD1-CB 4.29Å; V2116-A2123 CarbonylContact O-C 3.5Å; V2116-A2123 WeakPolarHBondContact O-CA 3.25Å; A2123-V2134 CarbonylContact O-C 3.56Å; A2123-V2134 WeakPolarHBondContact O-CA 3.4Å; A2123-H2135 HydrophobicContact CB-CB 4.35Å; A2123-H2135 PolarHBondContact N-O 2.88Å; A2123-H2135 PolarHBondContact O-N 3.19Å; A2123-I2137 HydrophobicContact CB-CD1 4.36Å |
| 2124 | V | 88.9 | Confident | 85.3 | Confident | 0.25 Ų | 0.25 | 19.5 Ų | 19.5 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.4 | 175 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | C2115 V2116 A2117 V2122 T2132 W2133 V2134 V2161 M2163 F2168 | C2115-V2124 CarbonylContact C-O 3.57Å; C2115-V2124 WeakPolarHBondContact CA-O 3.03Å; V2116-V2124 CarbonylContact C-O 3.48Å; V2116-V2124 VanDerWaalsContact CA-O 3.29Å; V2116-V2124 WeakPolarHBondContact CA-O 3.26Å; V2116-V2124 PolarHBondContact N-O 3.07Å; V2116-V2124 PolarHBondContact O-N 3.26Å; A2117-V2124 PolarHBondContact N-O 3.3Å; A2117-V2124 PolarHBondContact O-N 3.19Å; V2122-V2124 HydrophobicContact CG1-CG2 4.42Å; V2124-T2132 HydrophobicContact CG1-CG2 3.61Å; V2124-W2133 CarbonylContact C-O 3.54Å; V2124-W2133 VanDerWaalsContact CA-O 3.25Å; V2124-W2133 WeakPolarHBondContact CA-O 3.18Å; V2124-V2134 HydrophobicContact CG1-CG2 4.37Å; V2124-V2134 HydrophobicContact CG2-CB 4.4Å; V2124-V2134 HydrophobicContact CG2-CG1 4.11Å; V2124-V2134 HydrophobicContact CG2-CG2 4.02Å; V2124-V2161 HydrophobicContact CB-CG1 4.31Å; V2124-V2161 HydrophobicContact CB-CG2 4.13Å; V2124-V2161 HydrophobicContact CG1-CG1 3.86Å; V2124-V2161 HydrophobicContact CG1-CG2 3.75Å; V2124-M2163 HydrophobicContact CB-CE 4.28Å; V2124-M2163 HydrophobicContact CB-CG 4.48Å; V2124-M2163 HydrophobicContact CB-SD 3.72Å; V2124-M2163 VanDerWaalsContact CB-SD 3.59Å; V2124-M2163 HydrophobicContact CG2-CE 3.79Å; V2124-M2163 HydrophobicContact CG2-CG 4.29Å; V2124-M2163 HydrophobicContact CG2-SD 3.33Å; V2124-M2163 WeakPolarHBondContact CG2-SD 3.4Å; V2124-F2168 HydrophobicContact CG1-CD2 4.06Å; V2124-F2168 HydrophobicContact CG1-CE2 4.02Å; V2124-F2168 HydrophobicContact CG2-CD1 4.28Å; V2124-F2168 HydrophobicContact CG2-CD2 4.32Å; V2124-F2168 HydrophobicContact CG2-CE1 4.36Å; V2124-F2168 HydrophobicContact CG2-CE2 4.43Å; V2124-F2168 HydrophobicContact CG2-CG 4.29Å; V2124-F2168 HydrophobicContact CG2-CZ 4.46Å |
| 2125 | T | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.5 | 179.7 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | V2057 H2097 L2114 C2115 V2116 T2132 W2133 | V2057-T2125 HydrophobicContact CB-CG2 4.45Å; V2057-T2125 HydrophobicContact CG1-CG2 3.73Å; V2057-T2125 HydrophobicContact CG2-CG2 3.87Å; H2097-T2125 WeakPolarHBondContact NE2-CB 3.37Å; H2097-T2125 PolarHBondContact NE2-OG1 3.11Å; L2114-T2125 CarbonylContact O-C 3.6Å; L2114-T2125 WeakPolarHBondContact O-CA 3.39Å; L2114-T2125 WeakPolarHBondContact O-CB 3.19Å; C2115-T2125 HydrophobicContact CB-CG2 4.02Å; C2115-T2125 WeakPolarHBondContact O-CA 3.39Å; V2116-T2125 HydrophobicContact CB-CG2 4.46Å; V2116-T2125 HydrophobicContact CG1-CG2 3.8Å; V2116-T2125 HydrophobicContact CG2-CG2 3.74Å; T2125-T2132 CarbonylContact O-C 3.55Å; T2125-T2132 VanDerWaalsContact O-CA 3.27Å; T2125-T2132 WeakPolarHBondContact O-CA 3.39Å; T2125-W2133 PolarHBondContact N-O 2.95Å; T2125-W2133 PolarHBondContact O-N 3.18Å; T2125-W2133 PolarHBondContact OG1-O 3.44Å |
| 2126 | G | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T2113 L2114 C2115 | T2113-G2126 CarbonylContact C-O 3.55Å; T2113-G2126 WeakPolarHBondContact CA-O 3.29Å; L2114-G2126 PolarHBondContact N-O 3.06Å; L2114-G2126 PolarHBondContact O-N 3.11Å; C2115-G2126 PolarHBondContact N-O 3.07Å; C2115-G2126 VanDerWaalsContact N-O 3.16Å; C2115-G2126 PolarHBondContact O-N 3.1Å |
| 2127 | G | 86.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H2097 G2112 N2129 A2130 E2131 V2158 | H2097-G2127 PolarHBondContact CE1-N 3.09Å; H2097-G2127 VanDerWaalsContact CE1-N 3.31Å; H2097-G2127 WeakPolarHBondContact ND1-CA 3.37Å; H2097-G2127 PolarHBondContact ND1-N 3.07Å; G2112-G2127 CarbonylContact O-C 3.49Å; G2112-G2127 WeakPolarHBondContact O-CA 3.41Å; G2127-N2129 PolarHBondContact O-N 2.95Å; G2127-A2130 PolarHBondContact O-N 3.03Å; G2127-E2131 PolarHBondContact N-O 3Å; G2127-V2158 PolarHBondContact O-N 3.13Å; G2127-V2158 VanDerWaalsContact O-N 3.07Å |
| 2128 | G | 82.6 | Confident | 85 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | E2109 N2110 G2111 G2112 A2130 | E2109-G2128 CarbonylContact O-C 3.58Å; E2109-G2128 VanDerWaalsContact O-C 3.22Å; E2109-G2128 VanDerWaalsContact O-O 3.05Å; N2110-G2128 CarbonylContact O-C 3.49Å; N2110-G2128 WeakPolarHBondContact O-CA 3.34Å; G2111-G2128 WeakPolarHBondContact O-CA 3.41Å; G2111-G2128 PolarHBondContact O-N 3.16Å; G2112-G2128 PolarHBondContact O-N 3.2Å; G2128-A2130 PolarHBondContact O-N 3.11Å; G2128-A2130 VanDerWaalsContact O-N 3.1Å |
| 2129 | N | 82.4 | Confident | 84.2 | Confident | 24.25 Ų | 24.25 | 21.2 Ų | 21.2 | 13% | 0.13 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 10.3 | 177.1 | 66.8 | -19.2 | 0 | 0 | 0 | 114.8 | S2096 H2097 G2127 E2131 | S2096-N2129 PolarHBondContact O-ND2 2.82Å; H2097-N2129 PolarHBondContact ND1-OD1 3.15Å; G2127-N2129 PolarHBondContact O-N 2.95Å; N2129-E2131 PolarHBondContact ND2-OE2 2.97Å; N2129-E2131 VanDerWaalsContact ND2-OE2 3.07Å; N2129-E2131 PolarHBondContact O-N 2.99Å; N2129-E2131 VanDerWaalsContact O-N 3.14Å; N2129-E2131 PolarHBondContact OD1-N 3.15Å |
| 2130 | A | 83.6 | Confident | 83.3 | Confident | 11.5 Ų | 11.5 | 20.6 Ų | 20.6 | 10% | 0.095 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 61.1 | 12.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G2127 G2128 S2156 | G2127-A2130 PolarHBondContact O-N 3.03Å; G2128-A2130 PolarHBondContact O-N 3.11Å; G2128-A2130 VanDerWaalsContact O-N 3.1Å; A2130-S2156 WeakPolarHBondContact CA-O 3.26Å; A2130-S2156 VanDerWaalsContact CB-C 3.44Å; A2130-S2156 VanDerWaalsContact CB-O 3.25Å; A2130-S2156 WeakPolarHBondContact CB-O 3.33Å |
| 2131 | E | 87.6 | Confident | 82.2 | Confident | 9.5 Ų | 9.5 | 19.9 Ų | 19.9 | 4% | 0.044 | 10% | 0.097 | C | C | . | . | trans | -96 | 147.5 | 176.6 | -60.6 | -173.4 | 157.4 | 0 | 0 | 110.8 | H2097 G2127 N2129 W2133 K2152 | H2097-E2131 PolarHBondContact CE1-O 3.19Å; H2097-E2131 VanDerWaalsContact CE1-O 3.27Å; G2127-E2131 PolarHBondContact N-O 3Å; N2129-E2131 PolarHBondContact ND2-OE2 2.97Å; N2129-E2131 VanDerWaalsContact ND2-OE2 3.07Å; N2129-E2131 PolarHBondContact O-N 2.99Å; N2129-E2131 VanDerWaalsContact O-N 3.14Å; N2129-E2131 PolarHBondContact OD1-N 3.15Å; E2131-W2133 PolarHBondContact OE2-NE1 3.19Å; E2131-W2133 VanDerWaalsContact OE2-NE1 3.12Å; E2131-K2152 HydrophobicContact CG-CG 4.4Å; E2131-K2152 VanDerWaalsContact OE1-CE 3.32Å; E2131-K2152 WeakPolarHBondContact OE1-CE 3.3Å; E2131-K2152 IonicContact OE1-NZ 3.04Å; E2131-K2152 PolarHBondContact OE1-NZ 2.86Å | ||
| 2132 | T | 90.1 | Very high | 81 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.2 | 168 | -39.4 | 0 | 0 | 0 | 0 | 108.9 | V2124 T2125 L2151 V2158 F2168 T2170 | V2124-T2132 HydrophobicContact CG1-CG2 3.61Å; T2125-T2132 CarbonylContact O-C 3.55Å; T2125-T2132 VanDerWaalsContact O-CA 3.27Å; T2125-T2132 WeakPolarHBondContact O-CA 3.39Å; T2132-L2151 HydrophobicContact CG2-CD1 4.36Å; T2132-L2151 PolarHBondContact N-O 3.11Å; T2132-L2151 PolarHBondContact O-N 3.06Å; T2132-L2151 VanDerWaalsContact OG1-CB 3.32Å; T2132-L2151 WeakPolarHBondContact OG1-CB 3.18Å; T2132-L2151 PolarHBondContact OG1-O 3.01Å; T2132-L2151 VanDerWaalsContact OG1-O 3.13Å; T2132-V2158 HydrophobicContact CG2-CB 4.39Å; T2132-V2158 HydrophobicContact CG2-CG1 4.13Å; T2132-V2158 HydrophobicContact CG2-CG2 3.5Å; T2132-F2168 HydrophobicContact CG2-CE2 4.31Å; T2132-T2170 HydrophobicContact CG2-CG2 3.79Å |
| 2133 | W | 91.1 | Very high | 80 | Confident | 37 Ų | 37 | 22 Ų | 22 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.8 | 178.8 | -72.2 | 80.8 | 0 | 0 | 0 | 110.7 | S2096 H2097 H2101 V2124 T2125 E2131 H2135 V2149 C2150 | S2096-W2133 PolarHBondContact O-NE1 3.16Å; H2097-W2133 AromaticContact CE1-CD1 3.54Å; H2097-W2133 AromaticContact NE2-CD1 3.95Å; H2101-W2133 AromaticContact CE1-CH2 3.93Å; H2101-W2133 AromaticContact CE1-CZ2 3.88Å; V2124-W2133 CarbonylContact C-O 3.54Å; V2124-W2133 VanDerWaalsContact CA-O 3.25Å; V2124-W2133 WeakPolarHBondContact CA-O 3.18Å; T2125-W2133 PolarHBondContact N-O 2.95Å; T2125-W2133 PolarHBondContact O-N 3.18Å; T2125-W2133 PolarHBondContact OG1-O 3.44Å; E2131-W2133 PolarHBondContact OE2-NE1 3.19Å; E2131-W2133 VanDerWaalsContact OE2-NE1 3.12Å; W2133-H2135 WeakPolarHBondContact CB-NE2 3.34Å; W2133-V2149 CarbonylContact C-O 3.58Å; W2133-V2149 WeakPolarHBondContact CA-O 3.35Å; W2133-C2150 HydrophobicContact CD2-CB 3.9Å; W2133-C2150 HydrophobicContact CE3-CB 3.88Å; W2133-C2150 HydrophobicContact CH2-CB 3.74Å; W2133-C2150 HydrophobicContact CZ2-CB 3.72Å; W2133-C2150 HydrophobicContact CZ3-CB 3.8Å |
| 2134 | V | 91.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.9 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | V2122 A2123 V2124 F2136 S2148 V2149 L2151 F2168 V2189 | V2122-V2134 HydrophobicContact CG1-CG1 3.65Å; V2122-V2134 VanDerWaalsContact CG1-CG1 3.46Å; A2123-V2134 CarbonylContact O-C 3.56Å; A2123-V2134 WeakPolarHBondContact O-CA 3.4Å; V2124-V2134 HydrophobicContact CG1-CG2 4.37Å; V2124-V2134 HydrophobicContact CG2-CB 4.4Å; V2124-V2134 HydrophobicContact CG2-CG1 4.11Å; V2124-V2134 HydrophobicContact CG2-CG2 4.02Å; V2134-F2136 HydrophobicContact CG1-CD2 4.46Å; V2134-F2136 HydrophobicContact CG1-CE2 3.86Å; V2134-F2136 HydrophobicContact CG1-CZ 3.92Å; V2134-S2148 CarbonylContact O-C 3.51Å; V2134-S2148 VanDerWaalsContact O-CA 3.29Å; V2134-S2148 WeakPolarHBondContact O-CA 3.38Å; V2134-V2149 HydrophobicContact CB-CB 4.44Å; V2134-V2149 PolarHBondContact N-O 3.19Å; V2134-V2149 PolarHBondContact O-N 3.1Å; V2134-L2151 HydrophobicContact CG2-CD1 3.73Å; V2134-F2168 HydrophobicContact CG2-CE1 4.05Å; V2134-F2168 HydrophobicContact CG2-CE2 4.38Å; V2134-F2168 HydrophobicContact CG2-CZ 3.67Å; V2134-V2189 HydrophobicContact CB-CG2 4.11Å; V2134-V2189 HydrophobicContact CG1-CG2 3.98Å; V2134-V2189 HydrophobicContact CG2-CG2 4.06Å |
| 2135 | H | 90.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.7 | -178.4 | -54.8 | -70 | 0 | 0 | 0 | 110.1 | I2059 L2094 S2096 V2122 A2123 W2133 I2145 S2148 | I2059-H2135 HydrophobicContact CD1-CB 4.46Å; L2094-H2135 HydrophobicContact CD1-CB 4.48Å; L2094-H2135 WeakPolarHBondContact CD1-CE1 3.45Å; L2094-H2135 VanDerWaalsContact CD1-ND1 3.34Å; L2094-H2135 WeakPolarHBondContact CD1-ND1 3.21Å; S2096-H2135 PolarHBondContact OG-CE1 3.01Å; S2096-H2135 PolarHBondContact OG-NE2 3.02Å; V2122-H2135 WeakPolarHBondContact CA-O 3.39Å; A2123-H2135 HydrophobicContact CB-CB 4.35Å; A2123-H2135 PolarHBondContact N-O 2.88Å; A2123-H2135 PolarHBondContact O-N 3.19Å; W2133-H2135 WeakPolarHBondContact CB-NE2 3.34Å; H2135-I2145 HydrophobicContact CB-CG2 4.33Å; H2135-S2148 WeakPolarHBondContact ND1-CB 3.39Å; H2135-S2148 PolarHBondContact ND1-OG 3.41Å |
| 2136 | F | 87.6 | Confident | 78.3 | Confident | 4.75 Ų | 4.75 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 107.7 | 174.4 | -64.3 | -86.6 | 0 | 0 | 0 | 109.4 | V2122 V2134 K2146 K2147 V2149 F2182 R2187 V2189 | V2122-F2136 HydrophobicContact CG1-CD1 4.45Å; V2122-F2136 HydrophobicContact CG1-CE1 4.37Å; V2122-F2136 HydrophobicContact CG2-CD1 3.73Å; V2122-F2136 HydrophobicContact CG2-CE1 3.95Å; V2134-F2136 HydrophobicContact CG1-CD2 4.46Å; V2134-F2136 HydrophobicContact CG1-CE2 3.86Å; V2134-F2136 HydrophobicContact CG1-CZ 3.92Å; F2136-K2146 PolarHBondContact O-N 3.07Å; F2136-K2147 HydrophobicContact CB-CB 4.49Å; F2136-K2147 HydrophobicContact CD2-CB 4.31Å; F2136-K2147 PolarHBondContact N-O 3.09Å; F2136-V2149 HydrophobicContact CE2-CG2 4.03Å; F2136-F2182 HydrophobicContact CE1-CD2 4.31Å; F2136-F2182 HydrophobicContact CZ-CB 4.48Å; F2136-R2187 HydrophobicContact CB-CB 4.39Å; F2136-R2187 HydrophobicContact CB-CG 4.12Å; F2136-R2187 HydrophobicContact CD1-CB 4.12Å; F2136-R2187 HydrophobicContact CD1-CG 4.09Å; F2136-R2187 HydrophobicContact CD2-CB 3.84Å; F2136-R2187 HydrophobicContact CD2-CG 4.4Å; F2136-R2187 HydrophobicContact CE1-CB 4.35Å; F2136-R2187 HydrophobicContact CE2-CB 4.07Å; F2136-R2187 HydrophobicContact CG-CB 3.86Å; F2136-R2187 HydrophobicContact CG-CG 3.96Å; F2136-R2187 HydrophobicContact CZ-CB 4.32Å; F2136-V2189 HydrophobicContact CE2-CG2 4.23Å; F2136-V2189 HydrophobicContact CZ-CG2 3.96Å |
| 2137 | I | 83.2 | Confident | 78.2 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.2 | 178.5 | -50.6 | 165.2 | 0 | 0 | 0 | 108.1 | H2047 I2049 I2059 I2091 C2121 A2123 | H2047-I2137 HydrophobicContact CB-CD1 4.46Å; H2047-I2137 WeakPolarHBondContact NE2-CG2 3.41Å; I2049-I2137 HydrophobicContact CD1-CD1 4.45Å; I2059-I2137 HydrophobicContact CD1-CD1 4.22Å; I2059-I2137 HydrophobicContact CD1-CG1 4.36Å; I2059-I2137 HydrophobicContact CG2-CD1 3.89Å; I2091-I2137 HydrophobicContact CD1-CG2 4.28Å; C2121-I2137 HydrophobicContact CB-CB 4.31Å; C2121-I2137 WeakPolarHBondContact CB-O 3.42Å; C2121-I2137 WeakPolarHBondContact O-CA 3.43Å; C2121-I2137 WeakPolarHBondContact O-CB 3.33Å; C2121-I2137 PolarHBondContact O-N 3.4Å; A2123-I2137 HydrophobicContact CB-CD1 4.36Å |
| 2138 | G | 73.4 | Confident | 78.2 | Confident | 2.75 Ų | 2.75 | 42 Ų | 42 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | trans | -69 | 154.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2143 | G2138-S2143 WeakPolarHBondContact CA-OG 3.39Å; G2138-S2143 PolarHBondContact O-OG 3.01Å | ||
| 2139 | R | 65.7 | Low | 78.5 | Confident | 127.25 Ų | 127.25 | 43.3 Ų | 43.3 | 48% | 0.48 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -77.2 | -23.2 | -178.6 | -72.4 | -178.2 | 177.7 | 175.9 | 0.6 | 113.8 | C2121 L2185 | C2121-R2139 HydrophobicContact CB-CG 4.5Å; R2139-L2185 VanDerWaalsContact NH2-CD2 3.28Å |
| 2140 | Q | 59.9 | Low | 78.8 | Confident | 103.75 Ų | 103.75 | 44.1 Ų | 44.1 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -80.8 | 140 | 178.5 | -68.4 | -177.4 | -0.7 | 0 | 0 | 110.3 | Y2040 G2142 S2143 | Y2040-Q2140 HydrophobicContact CE2-CG 4.39Å; Q2140-G2142 PolarHBondContact O-N 2.95Å; Q2140-S2143 VanDerWaalsContact O-CB 3.27Å; Q2140-S2143 WeakPolarHBondContact O-CB 3.23Å; Q2140-S2143 PolarHBondContact O-N 3.01Å; Q2140-S2143 VanDerWaalsContact O-N 3.08Å; Q2140-S2143 PolarHBondContact O-OG 3.23Å |
| 2141 | T | 52 | Low | 79.1 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 121 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 110.7 | S2039 L2061 | S2039-T2141 WeakPolarHBondContact OG-CG2 3.38Å; L2061-T2141 HydrophobicContact CD2-CG2 4.35Å |
| 2142 | G | 54.3 | Low | 79 | Confident | 34.75 Ų | 34.75 | 48.5 Ų | 48.5 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | L2061 Q2140 K2144 | L2061-G2142 VanDerWaalsContact CD2-N 3.35Å; Q2140-G2142 PolarHBondContact O-N 2.95Å; G2142-K2144 PolarHBondContact O-N 3.18Å |
| 2143 | S | 62.9 | Low | 78.7 | Confident | 24.5 Ų | 24.5 | 52.6 Ų | 52.6 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.9 | 178 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | I2091 G2138 Q2140 | I2091-S2143 WeakPolarHBondContact CG2-O 3.44Å; G2138-S2143 WeakPolarHBondContact CA-OG 3.39Å; G2138-S2143 PolarHBondContact O-OG 3.01Å; Q2140-S2143 VanDerWaalsContact O-CB 3.27Å; Q2140-S2143 WeakPolarHBondContact O-CB 3.23Å; Q2140-S2143 PolarHBondContact O-N 3.01Å; Q2140-S2143 VanDerWaalsContact O-N 3.08Å; Q2140-S2143 PolarHBondContact O-OG 3.23Å |
| 2144 | K | 75.2 | Confident | 78.5 | Confident | 162.5 Ų | 162.5 | 51.4 Ų | 51.4 | 71% | 0.707 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 164.2 | 173.6 | -67.1 | -175.9 | 178.8 | -176.9 | 0 | 111.7 | G2142 K2146 | G2142-K2144 PolarHBondContact O-N 3.18Å; K2144-K2146 PolarHBondContact O-N 3.21Å; K2144-K2146 VanDerWaalsContact O-N 3.15Å |
| 2145 | I | 77.4 | Confident | 78.1 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 120 | 174.4 | -59.5 | 175.8 | 0 | 0 | 0 | 109 | I2059 D2092 L2094 H2135 | I2059-I2145 HydrophobicContact CD1-CD1 3.85Å; I2059-I2145 HydrophobicContact CD1-CG1 4.38Å; D2092-I2145 HydrophobicContact CB-CD1 3.72Å; D2092-I2145 HydrophobicContact CB-CG1 4.21Å; L2094-I2145 HydrophobicContact CD1-CD1 3.31Å; L2094-I2145 HydrophobicContact CD2-CD1 3.87Å; L2094-I2145 HydrophobicContact CG-CD1 3.79Å; H2135-I2145 HydrophobicContact CB-CG2 4.33Å |
| 2146 | K | 79.6 | Confident | 77.8 | Confident | 88.25 Ų | 88.25 | 57.3 Ų | 57.3 | 38% | 0.384 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -33.1 | -175.6 | -66.3 | -143.3 | 178.6 | -172.4 | 0 | 112.4 | F2136 K2144 R2187 D2363 | F2136-K2146 PolarHBondContact O-N 3.07Å; K2144-K2146 PolarHBondContact O-N 3.21Å; K2144-K2146 VanDerWaalsContact O-N 3.15Å; K2146-R2187 VanDerWaalsContact CD-CZ 3.47Å; K2146-D2363 VanDerWaalsContact NZ-CB 3.26Å; K2146-D2363 IonicContact NZ-OD1 2.84Å; K2146-D2363 PolarHBondContact NZ-OD1 3.23Å; K2146-D2363 IonicContact NZ-OD2 2.69Å; K2146-D2363 PolarHBondContact NZ-OD2 3.06Å |
| 2147 | K | 84.9 | Confident | 77.7 | Confident | 89.25 Ų | 89.25 | 57.6 Ų | 57.6 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 140.2 | 179.1 | -169.5 | 176.6 | 178.1 | -170.8 | 0 | 110.2 | F2136 V2149 R2187 | F2136-K2147 HydrophobicContact CB-CB 4.49Å; F2136-K2147 HydrophobicContact CD2-CB 4.31Å; F2136-K2147 PolarHBondContact N-O 3.09Å; K2147-V2149 HydrophobicContact CD-CG2 4.41Å; K2147-V2149 HydrophobicContact CG-CG2 4.38Å; K2147-R2187 HydrophobicContact CB-CB 4.38Å; K2147-R2187 HydrophobicContact CD-CB 3.82Å; K2147-R2187 WeakPolarHBondContact CD-O 3.36Å; K2147-R2187 PolarHBondContact NZ-O 2.96Å |
| 2148 | S | 87.4 | Confident | 77.9 | Confident | 52.5 Ų | 52.5 | 57.2 Ų | 57.2 | 37% | 0.367 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.6 | 168.7 | -1.8 | 0 | 0 | 0 | 0 | 109.2 | V2134 H2135 | V2134-S2148 CarbonylContact O-C 3.51Å; V2134-S2148 VanDerWaalsContact O-CA 3.29Å; V2134-S2148 WeakPolarHBondContact O-CA 3.38Å; H2135-S2148 WeakPolarHBondContact ND1-CB 3.39Å; H2135-S2148 PolarHBondContact ND1-OG 3.41Å |
| 2149 | V | 88.5 | Confident | 78.5 | Confident | 30.75 Ų | 30.75 | 60 Ų | 60 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.6 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | W2133 V2134 F2136 K2147 L2151 V2189 | W2133-V2149 CarbonylContact C-O 3.58Å; W2133-V2149 WeakPolarHBondContact CA-O 3.35Å; V2134-V2149 HydrophobicContact CB-CB 4.44Å; V2134-V2149 PolarHBondContact N-O 3.19Å; V2134-V2149 PolarHBondContact O-N 3.1Å; F2136-V2149 HydrophobicContact CE2-CG2 4.03Å; K2147-V2149 HydrophobicContact CD-CG2 4.41Å; K2147-V2149 HydrophobicContact CG-CG2 4.38Å; V2149-L2151 HydrophobicContact CG1-CD2 3.91Å; V2149-L2151 HydrophobicContact CG1-CG 4.43Å; V2149-V2189 HydrophobicContact CB-CG2 4.48Å; V2149-V2189 HydrophobicContact CG1-CG2 4.48Å |
| 2150 | C | 88.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.9 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | W2133 K2152 | W2133-C2150 HydrophobicContact CD2-CB 3.9Å; W2133-C2150 HydrophobicContact CE3-CB 3.88Å; W2133-C2150 HydrophobicContact CH2-CB 3.74Å; W2133-C2150 HydrophobicContact CZ2-CB 3.72Å; W2133-C2150 HydrophobicContact CZ3-CB 3.8Å; C2150-K2152 VanDerWaalsContact SG-CE 3.55Å; C2150-K2152 WeakPolarHBondContact SG-CE 3.29Å |
| 2151 | L | 89 | Confident | 80.9 | Confident | 20.75 Ų | 20.75 | 50.8 Ų | 50.8 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.8 | 179.2 | -52.8 | 167.9 | 0 | 0 | 0 | 108.3 | T2132 V2134 V2149 F2168 Y2180 V2189 | T2132-L2151 HydrophobicContact CG2-CD1 4.36Å; T2132-L2151 PolarHBondContact N-O 3.11Å; T2132-L2151 PolarHBondContact O-N 3.06Å; T2132-L2151 VanDerWaalsContact OG1-CB 3.32Å; T2132-L2151 WeakPolarHBondContact OG1-CB 3.18Å; T2132-L2151 PolarHBondContact OG1-O 3.01Å; T2132-L2151 VanDerWaalsContact OG1-O 3.13Å; V2134-L2151 HydrophobicContact CG2-CD1 3.73Å; V2149-L2151 HydrophobicContact CG1-CD2 3.91Å; V2149-L2151 HydrophobicContact CG1-CG 4.43Å; L2151-F2168 HydrophobicContact CD1-CE2 4.23Å; L2151-F2168 HydrophobicContact CD1-CZ 3.67Å; L2151-Y2180 HydrophobicContact CB-CE1 4.43Å; L2151-Y2180 HydrophobicContact CD1-CD1 4.01Å; L2151-Y2180 HydrophobicContact CD1-CE1 3.84Å; L2151-Y2180 HydrophobicContact CD1-CE2 4.37Å; L2151-Y2180 HydrophobicContact CD1-CG 4.41Å; L2151-Y2180 HydrophobicContact CD2-CE1 4.38Å; L2151-Y2180 HydrophobicContact CG-CE1 4.4Å; L2151-V2189 HydrophobicContact CD1-CG1 3.87Å; L2151-V2189 HydrophobicContact CD2-CB 4.37Å; L2151-V2189 HydrophobicContact CD2-CG1 4.28Å |
| 2152 | K | 86.2 | Confident | 82.6 | Confident | 92.5 Ų | 92.5 | 48.3 Ų | 48.3 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | trans | -124.3 | 32.2 | -168.5 | -58 | -169.7 | 178.5 | -154.4 | 0 | 113.1 | N2104 E2131 C2150 H2154 | N2104-K2152 VanDerWaalsContact CG-NZ 3.27Å; N2104-K2152 PolarHBondContact ND2-NZ 3.19Å; N2104-K2152 VanDerWaalsContact ND2-NZ 3.13Å; N2104-K2152 PolarHBondContact OD1-NZ 3.46Å; E2131-K2152 HydrophobicContact CG-CG 4.4Å; E2131-K2152 VanDerWaalsContact OE1-CE 3.32Å; E2131-K2152 WeakPolarHBondContact OE1-CE 3.3Å; E2131-K2152 IonicContact OE1-NZ 3.04Å; E2131-K2152 PolarHBondContact OE1-NZ 2.86Å; C2150-K2152 VanDerWaalsContact SG-CE 3.55Å; C2150-K2152 WeakPolarHBondContact SG-CE 3.29Å; K2152-H2154 VanDerWaalsContact C-N 3.33Å | ||
| 2153 | E | 84.8 | Confident | 84.1 | Confident | 85.75 Ų | 85.75 | 47.8 Ų | 47.8 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | trans | -78.4 | -18.9 | -176.1 | -56.2 | -62.7 | 158.1 | 0 | 0 | 113.3 | Q2176 A2178 Y2180 L2191 L2194 | E2153-Q2176 PolarHBondContact O-OE1 2.95Å; E2153-A2178 HydrophobicContact CB-CB 4.49Å; E2153-Y2180 VanDerWaalsContact CB-OH 3.31Å; E2153-Y2180 WeakPolarHBondContact CB-OH 3.29Å; E2153-Y2180 HydrophobicContact CG-CE1 4.19Å; E2153-Y2180 VanDerWaalsContact CG-OH 3.22Å; E2153-Y2180 WeakPolarHBondContact CG-OH 3.43Å; E2153-L2191 HydrophobicContact CG-CD1 4.43Å; E2153-L2191 HydrophobicContact CG-CD2 4.12Å; E2153-L2194 HydrophobicContact CB-CD1 4.44Å | ||
| 2154 | H | 85.4 | Confident | 84.9 | Confident | 11.25 Ų | 11.25 | 48.7 Ų | 48.7 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | -84.5 | 139.8 | -178.2 | -74.7 | -67.2 | 0 | 0 | 0 | 112 | K2152 V2158 T2170 S2172 Q2176 | K2152-H2154 VanDerWaalsContact C-N 3.33Å; H2154-V2158 HydrophobicContact CB-CG2 4.06Å; H2154-T2170 PolarHBondContact CE1-O 3.41Å; H2154-T2170 VanDerWaalsContact CE1-O 3.26Å; H2154-T2170 VanDerWaalsContact NE2-CB 3.33Å; H2154-T2170 WeakPolarHBondContact NE2-CB 3.26Å; H2154-T2170 PolarHBondContact NE2-O 3.03Å; H2154-T2170 PolarHBondContact NE2-OG1 3.15Å; H2154-S2172 VanDerWaalsContact ND1-CB 3.3Å; H2154-S2172 WeakPolarHBondContact ND1-CB 3.49Å; H2154-S2172 PolarHBondContact ND1-OG 2.63Å; H2154-Q2176 PolarHBondContact CE1-O 3.07Å; H2154-Q2176 VanDerWaalsContact CE1-O 3.3Å | ||
| 2155 | N | 83.1 | Confident | 85.1 | Confident | 106 Ų | 106 | 42.4 Ų | 42.4 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -91.5 | -0.2 | 177.3 | 46.6 | 5.4 | 0 | 0 | 0 | 113.9 | T2174 Q2176 | N2155-T2174 PolarHBondContact OD1-OG1 3.04Å; N2155-Q2176 PolarHBondContact ND2-NE2 3.41Å; N2155-Q2176 PolarHBondContact OD1-OE1 3.15Å |
| 2156 | S | 84.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -155.5 | 169.2 | -177.5 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | A2130 V2158 T2174 | A2130-S2156 WeakPolarHBondContact CA-O 3.26Å; A2130-S2156 VanDerWaalsContact CB-C 3.44Å; A2130-S2156 VanDerWaalsContact CB-O 3.25Å; A2130-S2156 WeakPolarHBondContact CB-O 3.33Å; S2156-V2158 PolarHBondContact O-N 3.19Å; S2156-T2174 VanDerWaalsContact CB-CG2 3.45Å; S2156-T2174 WeakPolarHBondContact CB-OG1 3.3Å |
| 2157 | A | 85.6 | Confident | 85.8 | Confident | 11.75 Ų | 11.75 | 42.6 Ų | 42.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -43.7 | 130.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2114 I2159 S2172 K2173 | L2114-A2157 HydrophobicContact CD1-CB 3.94Å; A2157-I2159 PolarHBondContact O-N 2.86Å; A2157-S2172 CarbonylContact O-C 3.54Å; A2157-S2172 VanDerWaalsContact O-CA 3.28Å; A2157-S2172 WeakPolarHBondContact O-CA 3.32Å; A2157-K2173 PolarHBondContact O-N 3Å | ||
| 2158 | V | 87.6 | Confident | 86 | Confident | 1.5 Ų | 1.5 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 114.4 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | L2114 G2127 T2132 H2154 S2156 V2161 T2170 A2171 | L2114-V2158 WeakPolarHBondContact CB-O 3.39Å; L2114-V2158 WeakPolarHBondContact CD1-O 3.23Å; G2127-V2158 PolarHBondContact O-N 3.13Å; G2127-V2158 VanDerWaalsContact O-N 3.07Å; T2132-V2158 HydrophobicContact CG2-CB 4.39Å; T2132-V2158 HydrophobicContact CG2-CG1 4.13Å; T2132-V2158 HydrophobicContact CG2-CG2 3.5Å; H2154-V2158 HydrophobicContact CB-CG2 4.06Å; S2156-V2158 PolarHBondContact O-N 3.19Å; V2158-V2161 HydrophobicContact CG1-CG2 3.75Å; V2158-T2170 HydrophobicContact CG1-CG2 4.3Å; V2158-A2171 CarbonylContact C-O 3.54Å; V2158-A2171 WeakPolarHBondContact CA-O 3.21Å |
| 2159 | I | 85.9 | Confident | 86.2 | Confident | 60.5 Ų | 60.5 | 35.9 Ų | 35.9 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -19.3 | -171.4 | 56.8 | 168.7 | 0 | 0 | 0 | 113.5 | L2114 A2157 A2171 K2173 I2203 | L2114-I2159 HydrophobicContact CD1-CG2 4.47Å; L2114-I2159 WeakPolarHBondContact CD1-O 3.16Å; A2157-I2159 PolarHBondContact O-N 2.86Å; I2159-A2171 WeakPolarHBondContact CG1-O 3.19Å; I2159-A2171 PolarHBondContact N-O 3.22Å; I2159-K2173 HydrophobicContact CG2-CB 4.05Å; I2159-K2173 HydrophobicContact CG2-CG 4.48Å; I2159-I2203 HydrophobicContact CD1-CB 4.19Å |
| 2160 | A | 86 | Confident | 86.3 | Confident | 18.25 Ų | 18.25 | 34.4 Ų | 34.4 | 15% | 0.151 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C2115 T2170 A2171 F2206 | C2115-A2160 VanDerWaalsContact SG-C 3.6Å; A2160-T2170 WeakPolarHBondContact O-CA 3.31Å; A2160-A2171 HydrophobicContact CB-CB 4.4Å; A2160-A2171 PolarHBondContact N-O 3.02Å; A2160-A2171 PolarHBondContact O-N 3.18Å; A2160-F2206 HydrophobicContact CB-CB 3.73Å; A2160-F2206 HydrophobicContact CB-CD1 4.29Å; A2160-F2206 HydrophobicContact CB-CG 4.04Å |
| 2161 | V | 89 | Confident | 86.3 | Confident | 19.25 Ų | 19.25 | 32.4 Ų | 32.4 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.2 | 172.6 | 78 | 0 | 0 | 0 | 0 | 108.6 | L2114 C2115 V2116 A2117 V2124 V2158 M2163 V2169 T2170 | L2114-V2161 HydrophobicContact CB-CG2 4.25Å; C2115-V2161 HydrophobicContact CB-CG1 4.02Å; V2116-V2161 VanDerWaalsContact C-CG1 3.43Å; V2116-V2161 HydrophobicContact CB-CG1 4.25Å; V2116-V2161 HydrophobicContact CG2-CB 3.85Å; V2116-V2161 HydrophobicContact CG2-CG1 3.71Å; V2116-V2161 VanDerWaalsContact CG2-O 3.3Å; V2116-V2161 WeakPolarHBondContact CG2-O 3.45Å; A2117-V2161 HydrophobicContact CB-CB 4.41Å; A2117-V2161 HydrophobicContact CB-CG1 3.71Å; A2117-V2161 HydrophobicContact CB-CG2 4.02Å; V2124-V2161 HydrophobicContact CB-CG1 4.31Å; V2124-V2161 HydrophobicContact CB-CG2 4.13Å; V2124-V2161 HydrophobicContact CG1-CG1 3.86Å; V2124-V2161 HydrophobicContact CG1-CG2 3.75Å; V2158-V2161 HydrophobicContact CG1-CG2 3.75Å; V2161-M2163 HydrophobicContact CG2-CG 4.31Å; V2161-V2169 VanDerWaalsContact CA-O 3.31Å; V2161-V2169 WeakPolarHBondContact CA-O 3.36Å; V2161-T2170 HydrophobicContact CB-CG2 4.1Å; V2161-T2170 HydrophobicContact CG1-CG2 4.15Å; V2161-T2170 HydrophobicContact CG2-CG2 3.91Å |
| 2162 | S | 88.2 | Confident | 86.3 | Confident | 14.75 Ų | 14.75 | 31.5 Ų | 31.5 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.1 | 171.4 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | F2168 V2169 F2206 L2208 | S2162-F2168 CarbonylContact O-C 3.57Å; S2162-F2168 VanDerWaalsContact O-CA 3.25Å; S2162-F2168 WeakPolarHBondContact O-CA 3.33Å; S2162-F2168 WeakPolarHBondContact O-CB 3.38Å; S2162-V2169 PolarHBondContact N-O 3.24Å; S2162-V2169 PolarHBondContact O-N 3.18Å; S2162-F2206 VanDerWaalsContact CB-CE1 3.47Å; S2162-L2208 WeakPolarHBondContact OG-CB 3.32Å; S2162-L2208 PolarHBondContact OG-N 2.98Å; S2162-L2208 VanDerWaalsContact OG-N 3.07Å |
| 2163 | M | 85.2 | Confident | 86.2 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.8 | -175.4 | -82.5 | -172.5 | -4.7 | 0 | 0 | 111 | V2116 A2117 S2118 Y2119 V2122 V2124 V2161 F2167 F2168 F2182 | V2116-M2163 HydrophobicContact CB-CB 4.29Å; V2116-M2163 HydrophobicContact CG1-CB 3.52Å; A2117-M2163 HydrophobicContact CB-CB 4.29Å; A2117-M2163 HydrophobicContact CB-CE 4.05Å; A2117-M2163 HydrophobicContact CB-CG 3.59Å; A2117-M2163 HydrophobicContact CB-SD 3.96Å; A2117-M2163 WeakPolarHBondContact O-CE 3.31Å; S2118-M2163 WeakPolarHBondContact CB-SD 3.36Å; S2118-M2163 VanDerWaalsContact N-CE 3.32Å; Y2119-M2163 VanDerWaalsContact N-CE 3.28Å; V2122-M2163 HydrophobicContact CB-CE 4.33Å; V2122-M2163 HydrophobicContact CG1-CE 4.19Å; V2124-M2163 HydrophobicContact CB-CE 4.28Å; V2124-M2163 HydrophobicContact CB-CG 4.48Å; V2124-M2163 HydrophobicContact CB-SD 3.72Å; V2124-M2163 VanDerWaalsContact CB-SD 3.59Å; V2124-M2163 HydrophobicContact CG2-CE 3.79Å; V2124-M2163 HydrophobicContact CG2-CG 4.29Å; V2124-M2163 HydrophobicContact CG2-SD 3.33Å; V2124-M2163 WeakPolarHBondContact CG2-SD 3.4Å; V2161-M2163 HydrophobicContact CG2-CG 4.31Å; M2163-F2167 WeakPolarHBondContact CA-O 3.48Å; M2163-F2167 WeakPolarHBondContact CG-O 3.45Å; M2163-F2168 HydrophobicContact CB-CB 4.12Å; M2163-F2168 HydrophobicContact CE-CB 4.05Å; M2163-F2168 HydrophobicContact CE-CD1 3.87Å; M2163-F2168 HydrophobicContact CE-CG 4.06Å; M2163-F2168 HydrophobicContact CG-CB 3.65Å; M2163-F2168 VanDerWaalsContact CG-CB 3.48Å; M2163-F2168 HydrophobicContact SD-CB 3.88Å; M2163-F2168 HydrophobicContact SD-CG 4.4Å; M2163-F2182 HydrophobicContact CE-CD1 4.25Å; M2163-F2182 HydrophobicContact CE-CE1 3.88Å; M2163-F2182 HydrophobicContact CE-CZ 4.01Å; M2163-F2182 HydrophobicContact CG-CE1 4.36Å; M2163-F2182 HydrophobicContact SD-CE1 4.19Å; M2163-F2182 HydrophobicContact SD-CZ 4.27Å |
| 2164 | E | 81 | Confident | 86.1 | Confident | 43.25 Ų | 43.25 | 31.6 Ų | 31.6 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 122.2 | 172.2 | -167.9 | 177.6 | 173 | 0 | 0 | 111.3 | K2166 F2167 L2208 L2209 R2210 | E2164-K2166 PolarHBondContact O-N 3.12Å; E2164-F2167 PolarHBondContact N-O 3.14Å; E2164-F2167 PolarHBondContact O-N 3.2Å; E2164-F2167 VanDerWaalsContact O-O 3.13Å; E2164-L2208 HydrophobicContact CB-CD2 4.2Å; E2164-L2208 HydrophobicContact CB-CG 4.38Å; E2164-L2208 VanDerWaalsContact OE2-O 3.08Å; E2164-L2209 WeakPolarHBondContact OE2-CA 3.4Å; E2164-L2209 PolarHBondContact OE2-N 3.17Å; E2164-R2210 VanDerWaalsContact CD-CB 3.46Å; E2164-R2210 HydrophobicContact CG-CB 4.23Å; E2164-R2210 VanDerWaalsContact OE1-CB 3.29Å; E2164-R2210 WeakPolarHBondContact OE1-CB 3.26Å; E2164-R2210 PolarHBondContact OE1-N 2.96Å; E2164-R2210 WeakPolarHBondContact OE2-CB 3.01Å; E2164-R2210 PolarHBondContact OE2-N 3.33Å |
| 2165 | S | 79.3 | Confident | 86.1 | Confident | 31.75 Ų | 31.75 | 34.5 Ų | 34.5 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -100.1 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 113.2 | Y2119 F2120 F2182 R2210 | Y2119-S2165 WeakPolarHBondContact CD1-O 3.46Å; Y2119-S2165 VanDerWaalsContact CE1-CA 3.45Å; Y2119-S2165 WeakPolarHBondContact CE1-O 3.36Å; F2120-S2165 WeakPolarHBondContact CD2-O 3.4Å; F2120-S2165 WeakPolarHBondContact CE2-O 3.42Å; S2165-F2182 VanDerWaalsContact O-CZ 3.23Å; S2165-F2182 WeakPolarHBondContact O-CZ 3.33Å; S2165-R2210 PolarHBondContact OG-NH1 3.36Å |
| 2166 | K | 83.5 | Confident | 86.4 | Confident | 106 Ų | 106 | 30.1 Ų | 30.1 | 46% | 0.461 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 6.6 | -179.1 | -63 | -174.4 | -179.7 | -177.4 | 0 | 112.9 | F2120 E2164 K2181 F2182 | F2120-K2166 HydrophobicContact CE2-CG 4.14Å; E2164-K2166 PolarHBondContact O-N 3.12Å; K2166-K2181 CarbonylContact O-C 3.59Å; K2166-K2181 WeakPolarHBondContact O-CA 3.29Å; K2166-F2182 VanDerWaalsContact C-CD1 3.43Å; K2166-F2182 VanDerWaalsContact CA-CE1 3.47Å; K2166-F2182 VanDerWaalsContact O-CD1 3.23Å; K2166-F2182 WeakPolarHBondContact O-CD1 3.48Å; K2166-F2182 WeakPolarHBondContact O-CE1 3.17Å; K2166-F2182 PolarHBondContact O-N 3.06Å |
| 2167 | F | 87.3 | Confident | 86.5 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 7% | 0.066 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.7 | -175.9 | -59.5 | -78.8 | 0 | 0 | 0 | 110.2 | M2163 E2164 L2179 Y2180 K2181 W2192 L2208 I2220 | M2163-F2167 WeakPolarHBondContact CA-O 3.48Å; M2163-F2167 WeakPolarHBondContact CG-O 3.45Å; E2164-F2167 PolarHBondContact N-O 3.14Å; E2164-F2167 PolarHBondContact O-N 3.2Å; E2164-F2167 VanDerWaalsContact O-O 3.13Å; F2167-L2179 HydrophobicContact CB-CD1 4.34Å; F2167-Y2180 VanDerWaalsContact CA-O 3.3Å; F2167-Y2180 WeakPolarHBondContact CA-O 3.36Å; F2167-K2181 HydrophobicContact CD1-CB 3.85Å; F2167-K2181 HydrophobicContact CD1-CG 4.12Å; F2167-K2181 HydrophobicContact CE1-CB 3.75Å; F2167-K2181 HydrophobicContact CE1-CD 3.8Å; F2167-K2181 HydrophobicContact CE1-CG 3.73Å; F2167-K2181 HydrophobicContact CZ-CD 4.23Å; F2167-K2181 HydrophobicContact CZ-CG 4.39Å; F2167-W2192 HydrophobicContact CD1-CE3 4.19Å; F2167-W2192 HydrophobicContact CD1-CZ3 4.24Å; F2167-W2192 AromaticContact CE1-CD2 3.96Å; F2167-W2192 HydrophobicContact CE1-CD2 3.96Å; F2167-W2192 AromaticContact CE1-CE2 3.93Å; F2167-W2192 AromaticContact CE1-CE3 3.6Å; F2167-W2192 HydrophobicContact CE1-CE3 3.6Å; F2167-W2192 AromaticContact CE1-CH2 3.42Å; F2167-W2192 HydrophobicContact CE1-CH2 3.42Å; F2167-W2192 AromaticContact CE1-CZ2 3.79Å; F2167-W2192 HydrophobicContact CE1-CZ2 3.79Å; F2167-W2192 AromaticContact CE1-CZ3 3.31Å; F2167-W2192 HydrophobicContact CE1-CZ3 3.31Å; F2167-W2192 HydrophobicContact CZ-CE3 4.44Å; F2167-W2192 AromaticContact CZ-CH2 3.61Å; F2167-W2192 HydrophobicContact CZ-CH2 3.61Å; F2167-W2192 HydrophobicContact CZ-CZ2 4.21Å; F2167-W2192 AromaticContact CZ-CZ3 3.76Å; F2167-W2192 HydrophobicContact CZ-CZ3 3.76Å; F2167-L2208 HydrophobicContact CB-CD2 4.11Å; F2167-I2220 HydrophobicContact CD1-CD1 4.02Å; F2167-I2220 HydrophobicContact CD2-CD1 3.87Å; F2167-I2220 HydrophobicContact CE1-CD1 3.97Å; F2167-I2220 HydrophobicContact CE2-CD1 3.81Å; F2167-I2220 HydrophobicContact CG-CD1 3.97Å; F2167-I2220 HydrophobicContact CZ-CD1 3.85Å |
| 2168 | F | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.7 | 166.2 | 69.1 | -91.5 | 0 | 0 | 0 | 109.8 | V2124 T2132 V2134 L2151 S2162 M2163 T2170 Y2180 F2182 V2189 | V2124-F2168 HydrophobicContact CG1-CD2 4.06Å; V2124-F2168 HydrophobicContact CG1-CE2 4.02Å; V2124-F2168 HydrophobicContact CG2-CD1 4.28Å; V2124-F2168 HydrophobicContact CG2-CD2 4.32Å; V2124-F2168 HydrophobicContact CG2-CE1 4.36Å; V2124-F2168 HydrophobicContact CG2-CE2 4.43Å; V2124-F2168 HydrophobicContact CG2-CG 4.29Å; V2124-F2168 HydrophobicContact CG2-CZ 4.46Å; T2132-F2168 HydrophobicContact CG2-CE2 4.31Å; V2134-F2168 HydrophobicContact CG2-CE1 4.05Å; V2134-F2168 HydrophobicContact CG2-CE2 4.38Å; V2134-F2168 HydrophobicContact CG2-CZ 3.67Å; L2151-F2168 HydrophobicContact CD1-CE2 4.23Å; L2151-F2168 HydrophobicContact CD1-CZ 3.67Å; S2162-F2168 CarbonylContact O-C 3.57Å; S2162-F2168 VanDerWaalsContact O-CA 3.25Å; S2162-F2168 WeakPolarHBondContact O-CA 3.33Å; S2162-F2168 WeakPolarHBondContact O-CB 3.38Å; M2163-F2168 HydrophobicContact CB-CB 4.12Å; M2163-F2168 HydrophobicContact CE-CB 4.05Å; M2163-F2168 HydrophobicContact CE-CD1 3.87Å; M2163-F2168 HydrophobicContact CE-CG 4.06Å; M2163-F2168 HydrophobicContact CG-CB 3.65Å; M2163-F2168 VanDerWaalsContact CG-CB 3.48Å; M2163-F2168 HydrophobicContact SD-CB 3.88Å; M2163-F2168 HydrophobicContact SD-CG 4.4Å; F2168-T2170 HydrophobicContact CD2-CG2 4.08Å; F2168-T2170 HydrophobicContact CE2-CG2 4.13Å; F2168-Y2180 AromaticContact CD2-CD2 3.82Å; F2168-Y2180 HydrophobicContact CD2-CD2 3.82Å; F2168-Y2180 HydrophobicContact CD2-CG 4.37Å; F2168-Y2180 VanDerWaalsContact CE1-CB 3.44Å; F2168-Y2180 HydrophobicContact CE1-CD2 4.49Å; F2168-Y2180 HydrophobicContact CE1-CG 4.14Å; F2168-Y2180 AromaticContact CE2-CD2 3.19Å; F2168-Y2180 HydrophobicContact CE2-CD2 3.19Å; F2168-Y2180 AromaticContact CE2-CE2 3.9Å; F2168-Y2180 HydrophobicContact CE2-CE2 3.9Å; F2168-Y2180 AromaticContact CE2-CG 3.62Å; F2168-Y2180 HydrophobicContact CE2-CG 3.62Å; F2168-Y2180 HydrophobicContact CZ-CD1 4.25Å; F2168-Y2180 AromaticContact CZ-CD2 3.6Å; F2168-Y2180 HydrophobicContact CZ-CD2 3.6Å; F2168-Y2180 HydrophobicContact CZ-CE2 4.43Å; F2168-Y2180 AromaticContact CZ-CG 3.48Å; F2168-Y2180 HydrophobicContact CZ-CG 3.48Å; F2168-Y2180 VanDerWaalsContact CZ-CG 3.48Å; F2168-Y2180 PolarHBondContact N-O 3Å; F2168-Y2180 PolarHBondContact O-N 3.08Å; F2168-F2182 AromaticContact CD1-CD1 3.74Å; F2168-F2182 HydrophobicContact CD1-CD1 3.74Å; F2168-F2182 HydrophobicContact CD1-CE1 4.31Å; F2168-F2182 HydrophobicContact CE1-CB 4.43Å; F2168-F2182 HydrophobicContact CE1-CD1 4.26Å; F2168-V2189 HydrophobicContact CE1-CG1 3.74Å; F2168-V2189 HydrophobicContact CZ-CG1 3.8Å |
| 2169 | V | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.3 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V2161 S2162 L2177 A2178 L2179 F2206 L2208 V2222 | V2161-V2169 VanDerWaalsContact CA-O 3.31Å; V2161-V2169 WeakPolarHBondContact CA-O 3.36Å; S2162-V2169 PolarHBondContact N-O 3.24Å; S2162-V2169 PolarHBondContact O-N 3.18Å; V2169-L2177 HydrophobicContact CG1-CD1 4.1Å; V2169-L2177 HydrophobicContact CG1-CD2 3.43Å; V2169-L2177 HydrophobicContact CG1-CG 3.49Å; V2169-L2177 VanDerWaalsContact CG1-CG 3.45Å; V2169-A2178 VanDerWaalsContact CA-O 3.31Å; V2169-A2178 WeakPolarHBondContact CA-O 3.36Å; V2169-A2178 WeakPolarHBondContact CG1-O 3.15Å; V2169-L2179 HydrophobicContact CG2-CB 3.99Å; V2169-L2179 HydrophobicContact CG2-CD1 3.25Å; V2169-L2179 HydrophobicContact CG2-CG 4.18Å; V2169-F2206 HydrophobicContact CB-CE1 3.8Å; V2169-F2206 HydrophobicContact CB-CZ 3.5Å; V2169-F2206 VanDerWaalsContact CB-CZ 3.44Å; V2169-F2206 HydrophobicContact CG1-CE1 3.98Å; V2169-F2206 HydrophobicContact CG1-CE2 4.07Å; V2169-F2206 HydrophobicContact CG1-CZ 3.24Å; V2169-F2206 HydrophobicContact CG2-CZ 4.36Å; V2169-L2208 HydrophobicContact CB-CD1 4.46Å; V2169-L2208 HydrophobicContact CG2-CD1 3.64Å; V2169-L2208 HydrophobicContact CG2-CD2 4.07Å; V2169-L2208 HydrophobicContact CG2-CG 4.34Å; V2169-V2222 HydrophobicContact CG2-CG2 4.14Å |
| 2170 | T | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.7 | 175 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | T2132 H2154 V2158 A2160 V2161 F2168 L2177 A2178 Y2180 | T2132-T2170 HydrophobicContact CG2-CG2 3.79Å; H2154-T2170 PolarHBondContact CE1-O 3.41Å; H2154-T2170 VanDerWaalsContact CE1-O 3.26Å; H2154-T2170 VanDerWaalsContact NE2-CB 3.33Å; H2154-T2170 WeakPolarHBondContact NE2-CB 3.26Å; H2154-T2170 PolarHBondContact NE2-O 3.03Å; H2154-T2170 PolarHBondContact NE2-OG1 3.15Å; V2158-T2170 HydrophobicContact CG1-CG2 4.3Å; A2160-T2170 WeakPolarHBondContact O-CA 3.31Å; V2161-T2170 HydrophobicContact CB-CG2 4.1Å; V2161-T2170 HydrophobicContact CG1-CG2 4.15Å; V2161-T2170 HydrophobicContact CG2-CG2 3.91Å; F2168-T2170 HydrophobicContact CD2-CG2 4.08Å; F2168-T2170 HydrophobicContact CE2-CG2 4.13Å; T2170-L2177 CarbonylContact O-C 3.56Å; T2170-L2177 WeakPolarHBondContact O-CA 3.34Å; T2170-A2178 PolarHBondContact N-O 3.01Å; T2170-A2178 PolarHBondContact O-N 3.14Å; T2170-A2178 PolarHBondContact OG1-O 3.33Å; T2170-Y2180 HydrophobicContact CG2-CE2 4.41Å; T2170-Y2180 WeakPolarHBondContact OG1-CE2 3.31Å |
| 2171 | A | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | V2158 I2159 A2160 Q2176 I2203 F2206 | V2158-A2171 CarbonylContact C-O 3.54Å; V2158-A2171 WeakPolarHBondContact CA-O 3.21Å; I2159-A2171 WeakPolarHBondContact CG1-O 3.19Å; I2159-A2171 PolarHBondContact N-O 3.22Å; A2160-A2171 HydrophobicContact CB-CB 4.4Å; A2160-A2171 PolarHBondContact N-O 3.02Å; A2160-A2171 PolarHBondContact O-N 3.18Å; A2171-Q2176 CarbonylContact C-O 3.5Å; A2171-Q2176 VanDerWaalsContact CA-O 3.3Å; A2171-Q2176 WeakPolarHBondContact CA-O 3.22Å; A2171-I2203 HydrophobicContact CB-CD1 3.89Å; A2171-F2206 HydrophobicContact CB-CD2 4.23Å; A2171-F2206 HydrophobicContact CB-CE2 4.35Å |
| 2172 | S | 88.2 | Confident | 87.2 | Confident | 0.5 Ų | 0.5 | 28.2 Ų | 28.2 | 0% | 0.003 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 163.4 | 177.4 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | H2154 A2157 T2174 R2175 Q2176 | H2154-S2172 VanDerWaalsContact ND1-CB 3.3Å; H2154-S2172 WeakPolarHBondContact ND1-CB 3.49Å; H2154-S2172 PolarHBondContact ND1-OG 2.63Å; A2157-S2172 CarbonylContact O-C 3.54Å; A2157-S2172 VanDerWaalsContact O-CA 3.28Å; A2157-S2172 WeakPolarHBondContact O-CA 3.32Å; S2172-T2174 PolarHBondContact O-N 3.24Å; S2172-T2174 VanDerWaalsContact O-N 3.15Å; S2172-T2174 PolarHBondContact OG-N 2.78Å; S2172-T2174 PolarHBondContact OG-OG1 3.07Å; S2172-R2175 PolarHBondContact O-N 3.22Å; S2172-R2175 VanDerWaalsContact O-N 3.09Å; S2172-R2175 PolarHBondContact OG-N 2.99Å; S2172-Q2176 PolarHBondContact N-O 3.2Å; S2172-Q2176 VanDerWaalsContact OG-CB 3.29Å; S2172-Q2176 WeakPolarHBondContact OG-CB 3.28Å; S2172-Q2176 PolarHBondContact OG-N 3.15Å; S2172-Q2176 PolarHBondContact OG-O 3.08Å |
| 2173 | K | 83.6 | Confident | 87.1 | Confident | 119.5 Ų | 119.5 | 29.5 Ų | 29.5 | 52% | 0.52 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.2 | 171.3 | -169 | 179.8 | 179.5 | -175.1 | 0 | 113.2 | E2109 A2157 I2159 R2175 | E2109-K2173 VanDerWaalsContact CD-NZ 3.3Å; E2109-K2173 IonicContact OE1-NZ 2.88Å; E2109-K2173 PolarHBondContact OE1-NZ 3.46Å; E2109-K2173 VanDerWaalsContact OE1-NZ 3.07Å; E2109-K2173 IonicContact OE2-NZ 3.35Å; E2109-K2173 PolarHBondContact OE2-NZ 3.36Å; A2157-K2173 PolarHBondContact O-N 3Å; I2159-K2173 HydrophobicContact CG2-CB 4.05Å; I2159-K2173 HydrophobicContact CG2-CG 4.48Å; K2173-R2175 VanDerWaalsContact C-N 3.26Å; K2173-R2175 PolarHBondContact O-N 2.87Å |
| 2174 | T | 84.3 | Confident | 86.7 | Confident | 61.25 Ų | 61.25 | 30.4 Ų | 30.4 | 38% | 0.376 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 14.6 | 176.6 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | N2155 S2156 S2172 Q2176 | N2155-T2174 PolarHBondContact OD1-OG1 3.04Å; S2156-T2174 VanDerWaalsContact CB-CG2 3.45Å; S2156-T2174 WeakPolarHBondContact CB-OG1 3.3Å; S2172-T2174 PolarHBondContact O-N 3.24Å; S2172-T2174 VanDerWaalsContact O-N 3.15Å; S2172-T2174 PolarHBondContact OG-N 2.78Å; S2172-T2174 PolarHBondContact OG-OG1 3.07Å; T2174-Q2176 VanDerWaalsContact C-N 3.27Å; T2174-Q2176 PolarHBondContact O-N 3.15Å |
| 2175 | R | 85.6 | Confident | 86.6 | Confident | 73.25 Ų | 73.25 | 34.4 Ų | 34.4 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 62.9 | 25.9 | 179.8 | -50.9 | 174.7 | -66.1 | -176.4 | 2.2 | 113.7 | S2172 K2173 D2197 V2198 T2200 A2201 | S2172-R2175 PolarHBondContact O-N 3.22Å; S2172-R2175 VanDerWaalsContact O-N 3.09Å; S2172-R2175 PolarHBondContact OG-N 2.99Å; K2173-R2175 VanDerWaalsContact C-N 3.26Å; K2173-R2175 PolarHBondContact O-N 2.87Å; R2175-D2197 IonicContact CZ-OD1 3.58Å; R2175-D2197 IonicContact NE-OD1 3Å; R2175-D2197 PolarHBondContact NE-OD1 3.31Å; R2175-D2197 IonicContact NH1-OD1 3.88Å; R2175-D2197 PolarHBondContact NH1-OD1 3.23Å; R2175-D2197 VanDerWaalsContact NH1-OD1 3.13Å; R2175-D2197 IonicContact NH2-OD1 3.31Å; R2175-D2197 PolarHBondContact NH2-OD1 3.15Å; R2175-D2197 IonicContact NH2-OD2 3.81Å; R2175-D2197 PolarHBondContact O-N 3.16Å; R2175-D2197 VanDerWaalsContact O-N 3.14Å; R2175-V2198 WeakPolarHBondContact CB-O 3.4Å; R2175-V2198 WeakPolarHBondContact CD-O 3.45Å; R2175-V2198 PolarHBondContact O-N 3.21Å; R2175-T2200 PolarHBondContact NH1-O 3.06Å; R2175-A2201 VanDerWaalsContact CD-O 3.28Å; R2175-A2201 WeakPolarHBondContact CD-O 3.24Å |
| 2176 | Q | 87.9 | Confident | 86.8 | Confident | 13.25 Ų | 13.25 | 38.9 Ų | 38.9 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | trans | -86.6 | 134.8 | 170.5 | -153.8 | 173.7 | 19.9 | 0 | 0 | 109.3 | E2153 H2154 N2155 A2171 S2172 T2174 L2194 I2195 N2196 | E2153-Q2176 PolarHBondContact O-OE1 2.95Å; H2154-Q2176 PolarHBondContact CE1-O 3.07Å; H2154-Q2176 VanDerWaalsContact CE1-O 3.3Å; N2155-Q2176 PolarHBondContact ND2-NE2 3.41Å; N2155-Q2176 PolarHBondContact OD1-OE1 3.15Å; A2171-Q2176 CarbonylContact C-O 3.5Å; A2171-Q2176 VanDerWaalsContact CA-O 3.3Å; A2171-Q2176 WeakPolarHBondContact CA-O 3.22Å; S2172-Q2176 PolarHBondContact N-O 3.2Å; S2172-Q2176 VanDerWaalsContact OG-CB 3.29Å; S2172-Q2176 WeakPolarHBondContact OG-CB 3.28Å; S2172-Q2176 PolarHBondContact OG-N 3.15Å; S2172-Q2176 PolarHBondContact OG-O 3.08Å; T2174-Q2176 VanDerWaalsContact C-N 3.27Å; T2174-Q2176 PolarHBondContact O-N 3.15Å; Q2176-L2194 HydrophobicContact CG-CD1 3.8Å; Q2176-L2194 HydrophobicContact CG-CG 4.4Å; Q2176-I2195 CarbonylContact C-O 3.5Å; Q2176-I2195 VanDerWaalsContact CA-O 3.3Å; Q2176-I2195 WeakPolarHBondContact CA-O 3.32Å; Q2176-N2196 VanDerWaalsContact CG-OD1 3.27Å; Q2176-N2196 WeakPolarHBondContact CG-OD1 3.43Å; Q2176-N2196 PolarHBondContact NE2-OD1 3.09Å | ||
| 2177 | L | 88.3 | Confident | 86.8 | Confident | 1.5 Ų | 1.5 | 37.6 Ų | 37.6 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.9 | -178.4 | -174.4 | 154.2 | 0 | 0 | 0 | 109.3 | V2169 T2170 L2194 I2195 V2198 F2206 V2222 I2224 L2241 | V2169-L2177 HydrophobicContact CG1-CD1 4.1Å; V2169-L2177 HydrophobicContact CG1-CD2 3.43Å; V2169-L2177 HydrophobicContact CG1-CG 3.49Å; V2169-L2177 VanDerWaalsContact CG1-CG 3.45Å; T2170-L2177 CarbonylContact O-C 3.56Å; T2170-L2177 WeakPolarHBondContact O-CA 3.34Å; L2177-L2194 CarbonylContact O-C 3.52Å; L2177-L2194 WeakPolarHBondContact O-CA 3.41Å; L2177-I2195 HydrophobicContact CB-CB 4.28Å; L2177-I2195 HydrophobicContact CD1-CD1 4.37Å; L2177-I2195 HydrophobicContact CD2-CD1 4Å; L2177-I2195 HydrophobicContact CD2-CG1 4.17Å; L2177-I2195 HydrophobicContact CG-CD1 4.45Å; L2177-I2195 PolarHBondContact N-O 3.16Å; L2177-I2195 PolarHBondContact O-N 3.19Å; L2177-V2198 HydrophobicContact CB-CG2 3.77Å; L2177-V2198 HydrophobicContact CD1-CG1 4.39Å; L2177-V2198 HydrophobicContact CD1-CG2 4.36Å; L2177-F2206 HydrophobicContact CD1-CE2 3.82Å; L2177-F2206 HydrophobicContact CD1-CZ 4.34Å; L2177-V2222 HydrophobicContact CD1-CG1 4.03Å; L2177-I2224 HydrophobicContact CD1-CD1 3.59Å; L2177-L2241 HydrophobicContact CD2-CD2 3.99Å |
| 2178 | A | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E2153 V2169 T2170 Y2180 L2191 H2193 L2194 | E2153-A2178 HydrophobicContact CB-CB 4.49Å; V2169-A2178 VanDerWaalsContact CA-O 3.31Å; V2169-A2178 WeakPolarHBondContact CA-O 3.36Å; V2169-A2178 WeakPolarHBondContact CG1-O 3.15Å; T2170-A2178 PolarHBondContact N-O 3.01Å; T2170-A2178 PolarHBondContact O-N 3.14Å; T2170-A2178 PolarHBondContact OG1-O 3.33Å; A2178-Y2180 HydrophobicContact CB-CD2 4.29Å; A2178-Y2180 HydrophobicContact CB-CE2 3.41Å; A2178-Y2180 VanDerWaalsContact CB-CE2 3.43Å; A2178-Y2180 WeakPolarHBondContact O-CD2 3.34Å; A2178-L2191 HydrophobicContact CB-CD1 4.04Å; A2178-H2193 WeakPolarHBondContact CA-O 3.27Å; A2178-L2194 HydrophobicContact CB-CD1 3.74Å |
| 2179 | L | 89.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.8 | 174.1 | 172.9 | 67.9 | 0 | 0 | 0 | 109.3 | F2167 V2169 W2192 H2193 L2208 I2220 V2236 | F2167-L2179 HydrophobicContact CB-CD1 4.34Å; V2169-L2179 HydrophobicContact CG2-CB 3.99Å; V2169-L2179 HydrophobicContact CG2-CD1 3.25Å; V2169-L2179 HydrophobicContact CG2-CG 4.18Å; L2179-W2192 HydrophobicContact CD2-CB 4.34Å; L2179-W2192 HydrophobicContact CD2-CE3 4.28Å; L2179-W2192 HydrophobicContact CG-CB 4.22Å; L2179-W2192 WeakPolarHBondContact O-CB 3.43Å; L2179-W2192 PolarHBondContact O-N 2.99Å; L2179-H2193 HydrophobicContact CB-CB 4.41Å; L2179-H2193 PolarHBondContact N-O 3.1Å; L2179-H2193 PolarHBondContact O-N 3.12Å; L2179-L2208 HydrophobicContact CD1-CD1 4.48Å; L2179-I2220 HydrophobicContact CD1-CG2 4.46Å; L2179-I2220 HydrophobicContact CD2-CD1 4.4Å; L2179-V2236 HydrophobicContact CD2-CG2 4.03Å |
| 2180 | Y | 91.1 | Very high | 86.8 | Confident | 1.5 Ų | 1.5 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.5 | 179.7 | -60.4 | -90.5 | 0 | 0 | 0 | 111.2 | L2151 E2153 F2167 F2168 T2170 A2178 V2189 T2190 L2191 | L2151-Y2180 HydrophobicContact CB-CE1 4.43Å; L2151-Y2180 HydrophobicContact CD1-CD1 4.01Å; L2151-Y2180 HydrophobicContact CD1-CE1 3.84Å; L2151-Y2180 HydrophobicContact CD1-CE2 4.37Å; L2151-Y2180 HydrophobicContact CD1-CG 4.41Å; L2151-Y2180 HydrophobicContact CD2-CE1 4.38Å; L2151-Y2180 HydrophobicContact CG-CE1 4.4Å; E2153-Y2180 VanDerWaalsContact CB-OH 3.31Å; E2153-Y2180 WeakPolarHBondContact CB-OH 3.29Å; E2153-Y2180 HydrophobicContact CG-CE1 4.19Å; E2153-Y2180 VanDerWaalsContact CG-OH 3.22Å; E2153-Y2180 WeakPolarHBondContact CG-OH 3.43Å; F2167-Y2180 VanDerWaalsContact CA-O 3.3Å; F2167-Y2180 WeakPolarHBondContact CA-O 3.36Å; F2168-Y2180 AromaticContact CD2-CD2 3.82Å; F2168-Y2180 HydrophobicContact CD2-CD2 3.82Å; F2168-Y2180 HydrophobicContact CD2-CG 4.37Å; F2168-Y2180 VanDerWaalsContact CE1-CB 3.44Å; F2168-Y2180 HydrophobicContact CE1-CD2 4.49Å; F2168-Y2180 HydrophobicContact CE1-CG 4.14Å; F2168-Y2180 AromaticContact CE2-CD2 3.19Å; F2168-Y2180 HydrophobicContact CE2-CD2 3.19Å; F2168-Y2180 AromaticContact CE2-CE2 3.9Å; F2168-Y2180 HydrophobicContact CE2-CE2 3.9Å; F2168-Y2180 AromaticContact CE2-CG 3.62Å; F2168-Y2180 HydrophobicContact CE2-CG 3.62Å; F2168-Y2180 HydrophobicContact CZ-CD1 4.25Å; F2168-Y2180 AromaticContact CZ-CD2 3.6Å; F2168-Y2180 HydrophobicContact CZ-CD2 3.6Å; F2168-Y2180 HydrophobicContact CZ-CE2 4.43Å; F2168-Y2180 AromaticContact CZ-CG 3.48Å; F2168-Y2180 HydrophobicContact CZ-CG 3.48Å; F2168-Y2180 VanDerWaalsContact CZ-CG 3.48Å; F2168-Y2180 PolarHBondContact N-O 3Å; F2168-Y2180 PolarHBondContact O-N 3.08Å; T2170-Y2180 HydrophobicContact CG2-CE2 4.41Å; T2170-Y2180 WeakPolarHBondContact OG1-CE2 3.31Å; A2178-Y2180 HydrophobicContact CB-CD2 4.29Å; A2178-Y2180 HydrophobicContact CB-CE2 3.41Å; A2178-Y2180 VanDerWaalsContact CB-CE2 3.43Å; A2178-Y2180 WeakPolarHBondContact O-CD2 3.34Å; Y2180-V2189 HydrophobicContact CD1-CG1 3.99Å; Y2180-V2189 HydrophobicContact CG-CG1 4.29Å; Y2180-T2190 CarbonylContact C-O 3.54Å; Y2180-T2190 WeakPolarHBondContact CA-O 3.4Å; Y2180-L2191 HydrophobicContact CD1-CB 4.02Å; Y2180-L2191 HydrophobicContact CD1-CD1 3.85Å; Y2180-L2191 HydrophobicContact CE1-CB 3.95Å; Y2180-L2191 HydrophobicContact CE1-CD1 3.47Å; Y2180-L2191 VanDerWaalsContact CE1-CD1 3.47Å; Y2180-L2191 HydrophobicContact CE1-CG 4.29Å; Y2180-L2191 HydrophobicContact CE2-CD1 4.35Å; Y2180-L2191 HydrophobicContact CG-CD1 4.43Å |
| 2181 | K | 88.8 | Confident | 86.7 | Confident | 80.25 Ų | 80.25 | 47.1 Ų | 47.1 | 35% | 0.349 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.9 | 166.7 | 179.8 | 179.2 | 175.8 | -174.9 | 0 | 109.1 | K2166 F2167 V2189 T2190 W2192 | K2166-K2181 CarbonylContact O-C 3.59Å; K2166-K2181 WeakPolarHBondContact O-CA 3.29Å; F2167-K2181 HydrophobicContact CD1-CB 3.85Å; F2167-K2181 HydrophobicContact CD1-CG 4.12Å; F2167-K2181 HydrophobicContact CE1-CB 3.75Å; F2167-K2181 HydrophobicContact CE1-CD 3.8Å; F2167-K2181 HydrophobicContact CE1-CG 3.73Å; F2167-K2181 HydrophobicContact CZ-CD 4.23Å; F2167-K2181 HydrophobicContact CZ-CG 4.39Å; K2181-V2189 WeakPolarHBondContact O-CA 2.98Å; K2181-T2190 PolarHBondContact N-O 3.19Å; K2181-T2190 PolarHBondContact O-N 2.99Å; K2181-T2190 PolarHBondContact O-OG1 3.07Å; K2181-T2190 VanDerWaalsContact O-OG1 3.05Å; K2181-W2192 HydrophobicContact CB-CD2 4.18Å; K2181-W2192 HydrophobicContact CB-CG 4.2Å; K2181-W2192 HydrophobicContact CB-CZ2 4.4Å; K2181-W2192 VanDerWaalsContact CD-CE2 3.49Å; K2181-W2192 HydrophobicContact CD-CH2 4.32Å; K2181-W2192 HydrophobicContact CD-CZ2 3.42Å; K2181-W2192 VanDerWaalsContact CD-CZ2 3.45Å; K2181-W2192 HydrophobicContact CG-CZ2 4.45Å |
| 2182 | F | 89 | Confident | 86.4 | Confident | 4.75 Ų | 4.75 | 51.8 Ų | 51.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.3 | 176.1 | 69.4 | -83.4 | 0 | 0 | 0 | 111.6 | F2120 V2122 F2136 M2163 S2165 K2166 F2168 P2184 T2188 V2189 | F2120-F2182 HydrophobicContact CB-CE2 4.39Å; F2120-F2182 HydrophobicContact CD2-CE2 4.43Å; F2120-F2182 HydrophobicContact CD2-CZ 4.38Å; V2122-F2182 HydrophobicContact CB-CD2 4.5Å; V2122-F2182 HydrophobicContact CB-CE2 4.11Å; V2122-F2182 HydrophobicContact CB-CZ 4.47Å; V2122-F2182 HydrophobicContact CG1-CD2 4.37Å; V2122-F2182 HydrophobicContact CG1-CE2 4.26Å; V2122-F2182 HydrophobicContact CG1-CZ 4.5Å; V2122-F2182 HydrophobicContact CG2-CD2 4.11Å; V2122-F2182 HydrophobicContact CG2-CE2 3.72Å; V2122-F2182 HydrophobicContact CG2-CZ 4.46Å; F2136-F2182 HydrophobicContact CE1-CD2 4.31Å; F2136-F2182 HydrophobicContact CZ-CB 4.48Å; M2163-F2182 HydrophobicContact CE-CD1 4.25Å; M2163-F2182 HydrophobicContact CE-CE1 3.88Å; M2163-F2182 HydrophobicContact CE-CZ 4.01Å; M2163-F2182 HydrophobicContact CG-CE1 4.36Å; M2163-F2182 HydrophobicContact SD-CE1 4.19Å; M2163-F2182 HydrophobicContact SD-CZ 4.27Å; S2165-F2182 VanDerWaalsContact O-CZ 3.23Å; S2165-F2182 WeakPolarHBondContact O-CZ 3.33Å; K2166-F2182 VanDerWaalsContact C-CD1 3.43Å; K2166-F2182 VanDerWaalsContact CA-CE1 3.47Å; K2166-F2182 VanDerWaalsContact O-CD1 3.23Å; K2166-F2182 WeakPolarHBondContact O-CD1 3.48Å; K2166-F2182 WeakPolarHBondContact O-CE1 3.17Å; K2166-F2182 PolarHBondContact O-N 3.06Å; F2168-F2182 AromaticContact CD1-CD1 3.74Å; F2168-F2182 HydrophobicContact CD1-CD1 3.74Å; F2168-F2182 HydrophobicContact CD1-CE1 4.31Å; F2168-F2182 HydrophobicContact CE1-CB 4.43Å; F2168-F2182 HydrophobicContact CE1-CD1 4.26Å; F2182-P2184 HydrophobicContact CE2-CB 4.49Å; F2182-T2188 CarbonylContact C-O 3.55Å; F2182-T2188 VanDerWaalsContact CA-O 3.31Å; F2182-T2188 WeakPolarHBondContact CA-O 3.44Å; F2182-V2189 HydrophobicContact CB-CG2 4.09Å |
| 2183 | N | 84.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.8 | 170.8 | -171 | -11.8 | 0 | 0 | 0 | 109 | L2185 E2186 R2187 T2188 | N2183-L2185 VanDerWaalsContact C-N 3.25Å; N2183-L2185 PolarHBondContact O-N 2.94Å; N2183-L2185 PolarHBondContact OD1-N 3.12Å; N2183-L2185 VanDerWaalsContact OD1-N 3.1Å; N2183-E2186 HydrophobicContact CB-CB 4.18Å; N2183-E2186 WeakPolarHBondContact ND2-CG 3.29Å; N2183-E2186 PolarHBondContact ND2-OE1 3.26Å; N2183-E2186 VanDerWaalsContact ND2-OE1 3.13Å; N2183-E2186 PolarHBondContact ND2-OE2 3.06Å; N2183-E2186 VanDerWaalsContact ND2-OE2 3.1Å; N2183-E2186 PolarHBondContact O-N 3.31Å; N2183-R2187 WeakPolarHBondContact O-CA 3.32Å; N2183-R2187 PolarHBondContact O-N 3.14Å; N2183-T2188 PolarHBondContact N-O 3.03Å; N2183-T2188 PolarHBondContact O-N 3.13Å |
| 2184 | P | 77.7 | Confident | 86.4 | Confident | 42.5 Ų | 42.5 | 51.7 Ų | 51.7 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.3 | -177.6 | 26.5 | -33.9 | 0 | 0 | 0 | 113.3 | F2120 V2122 F2182 | F2120-P2184 HydrophobicContact CB-CB 3.95Å; F2120-P2184 HydrophobicContact CB-CG 4.27Å; F2120-P2184 HydrophobicContact CD1-CG 4.21Å; F2120-P2184 HydrophobicContact CG-CB 4.42Å; F2120-P2184 HydrophobicContact CG-CG 4.19Å; V2122-P2184 HydrophobicContact CG2-CB 4.34Å; F2182-P2184 HydrophobicContact CE2-CB 4.49Å |
| 2185 | L | 78 | Confident | 86.4 | Confident | 126.5 Ų | 126.5 | 50.2 Ų | 50.2 | 66% | 0.662 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -52.5 | 178.3 | -71.7 | 164.1 | 0 | 0 | 0 | 111.1 | R2139 N2183 R2187 | R2139-L2185 VanDerWaalsContact NH2-CD2 3.28Å; N2183-L2185 VanDerWaalsContact C-N 3.25Å; N2183-L2185 PolarHBondContact O-N 2.94Å; N2183-L2185 PolarHBondContact OD1-N 3.12Å; N2183-L2185 VanDerWaalsContact OD1-N 3.1Å; L2185-R2187 VanDerWaalsContact C-N 3.29Å; L2185-R2187 PolarHBondContact O-N 3.2Å |
| 2186 | E | 82.8 | Confident | 86.3 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.1 | 179.5 | -68.3 | 167.5 | -165.8 | 0 | 0 | 113 | N2183 T2188 | N2183-E2186 HydrophobicContact CB-CB 4.18Å; N2183-E2186 WeakPolarHBondContact ND2-CG 3.29Å; N2183-E2186 PolarHBondContact ND2-OE1 3.26Å; N2183-E2186 VanDerWaalsContact ND2-OE1 3.13Å; N2183-E2186 PolarHBondContact ND2-OE2 3.06Å; N2183-E2186 VanDerWaalsContact ND2-OE2 3.1Å; N2183-E2186 PolarHBondContact O-N 3.31Å; E2186-T2188 HydrophobicContact CB-CG2 3.99Å; E2186-T2188 WeakPolarHBondContact CB-OG1 3.36Å; E2186-T2188 PolarHBondContact O-N 3.27Å; E2186-T2188 PolarHBondContact OE2-OG1 3.21Å |
| 2187 | R | 83.6 | Confident | 85.9 | Confident | 77.5 Ų | 77.5 | 55.8 Ų | 55.8 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44.7 | -174.7 | -51.4 | 176.8 | -169.2 | 140.1 | 11 | 111.1 | F2136 K2146 K2147 N2183 L2185 | F2136-R2187 HydrophobicContact CB-CB 4.39Å; F2136-R2187 HydrophobicContact CB-CG 4.12Å; F2136-R2187 HydrophobicContact CD1-CB 4.12Å; F2136-R2187 HydrophobicContact CD1-CG 4.09Å; F2136-R2187 HydrophobicContact CD2-CB 3.84Å; F2136-R2187 HydrophobicContact CD2-CG 4.4Å; F2136-R2187 HydrophobicContact CE1-CB 4.35Å; F2136-R2187 HydrophobicContact CE2-CB 4.07Å; F2136-R2187 HydrophobicContact CG-CB 3.86Å; F2136-R2187 HydrophobicContact CG-CG 3.96Å; F2136-R2187 HydrophobicContact CZ-CB 4.32Å; K2146-R2187 VanDerWaalsContact CD-CZ 3.47Å; K2147-R2187 HydrophobicContact CB-CB 4.38Å; K2147-R2187 HydrophobicContact CD-CB 3.82Å; K2147-R2187 WeakPolarHBondContact CD-O 3.36Å; K2147-R2187 PolarHBondContact NZ-O 2.96Å; N2183-R2187 WeakPolarHBondContact O-CA 3.32Å; N2183-R2187 PolarHBondContact O-N 3.14Å; L2185-R2187 VanDerWaalsContact C-N 3.29Å; L2185-R2187 PolarHBondContact O-N 3.2Å |
| 2188 | T | 87.9 | Confident | 85.5 | Confident | 50.75 Ų | 50.75 | 55.8 Ų | 55.8 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | F2182 N2183 E2186 | F2182-T2188 CarbonylContact C-O 3.55Å; F2182-T2188 VanDerWaalsContact CA-O 3.31Å; F2182-T2188 WeakPolarHBondContact CA-O 3.44Å; N2183-T2188 PolarHBondContact N-O 3.03Å; N2183-T2188 PolarHBondContact O-N 3.13Å; E2186-T2188 HydrophobicContact CB-CG2 3.99Å; E2186-T2188 WeakPolarHBondContact CB-OG1 3.36Å; E2186-T2188 PolarHBondContact O-N 3.27Å; E2186-T2188 PolarHBondContact OE2-OG1 3.21Å |
| 2189 | V | 90.4 | Very high | 84.6 | Confident | 26.5 Ų | 26.5 | 56.6 Ų | 56.6 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.8 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | V2134 F2136 V2149 L2151 F2168 Y2180 K2181 F2182 | V2134-V2189 HydrophobicContact CB-CG2 4.11Å; V2134-V2189 HydrophobicContact CG1-CG2 3.98Å; V2134-V2189 HydrophobicContact CG2-CG2 4.06Å; F2136-V2189 HydrophobicContact CE2-CG2 4.23Å; F2136-V2189 HydrophobicContact CZ-CG2 3.96Å; V2149-V2189 HydrophobicContact CB-CG2 4.48Å; V2149-V2189 HydrophobicContact CG1-CG2 4.48Å; L2151-V2189 HydrophobicContact CD1-CG1 3.87Å; L2151-V2189 HydrophobicContact CD2-CB 4.37Å; L2151-V2189 HydrophobicContact CD2-CG1 4.28Å; F2168-V2189 HydrophobicContact CE1-CG1 3.74Å; F2168-V2189 HydrophobicContact CZ-CG1 3.8Å; Y2180-V2189 HydrophobicContact CD1-CG1 3.99Å; Y2180-V2189 HydrophobicContact CG-CG1 4.29Å; K2181-V2189 WeakPolarHBondContact O-CA 2.98Å; F2182-V2189 HydrophobicContact CB-CG2 4.09Å |
| 2190 | T | 89.6 | Confident | 84 | Confident | 69.75 Ų | 69.75 | 60.6 Ų | 60.6 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.3 | -179.6 | 54.5 | 0 | 0 | 0 | 0 | 109 | Y2180 K2181 | Y2180-T2190 CarbonylContact C-O 3.54Å; Y2180-T2190 WeakPolarHBondContact CA-O 3.4Å; K2181-T2190 PolarHBondContact N-O 3.19Å; K2181-T2190 PolarHBondContact O-N 2.99Å; K2181-T2190 PolarHBondContact O-OG1 3.07Å; K2181-T2190 VanDerWaalsContact O-OG1 3.05Å |
| 2191 | L | 89.4 | Confident | 83.5 | Confident | 67.75 Ų | 67.75 | 61.3 Ų | 61.3 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.6 | 170.1 | -179.4 | 69.8 | 0 | 0 | 0 | 108.8 | E2153 A2178 Y2180 L2194 | E2153-L2191 HydrophobicContact CG-CD1 4.43Å; E2153-L2191 HydrophobicContact CG-CD2 4.12Å; A2178-L2191 HydrophobicContact CB-CD1 4.04Å; Y2180-L2191 HydrophobicContact CD1-CB 4.02Å; Y2180-L2191 HydrophobicContact CD1-CD1 3.85Å; Y2180-L2191 HydrophobicContact CE1-CB 3.95Å; Y2180-L2191 HydrophobicContact CE1-CD1 3.47Å; Y2180-L2191 VanDerWaalsContact CE1-CD1 3.47Å; Y2180-L2191 HydrophobicContact CE1-CG 4.29Å; Y2180-L2191 HydrophobicContact CE2-CD1 4.35Å; Y2180-L2191 HydrophobicContact CG-CD1 4.43Å; L2191-L2194 HydrophobicContact CD2-CB 4.41Å |
| 2192 | W | 84.5 | Confident | 83.1 | Confident | 99.75 Ų | 99.75 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -53.3 | 178.1 | -95.7 | 26.2 | 0 | 0 | 0 | 111.6 | F2167 L2179 K2181 I2220 | F2167-W2192 HydrophobicContact CD1-CE3 4.19Å; F2167-W2192 HydrophobicContact CD1-CZ3 4.24Å; F2167-W2192 AromaticContact CE1-CD2 3.96Å; F2167-W2192 HydrophobicContact CE1-CD2 3.96Å; F2167-W2192 AromaticContact CE1-CE2 3.93Å; F2167-W2192 AromaticContact CE1-CE3 3.6Å; F2167-W2192 HydrophobicContact CE1-CE3 3.6Å; F2167-W2192 AromaticContact CE1-CH2 3.42Å; F2167-W2192 HydrophobicContact CE1-CH2 3.42Å; F2167-W2192 AromaticContact CE1-CZ2 3.79Å; F2167-W2192 HydrophobicContact CE1-CZ2 3.79Å; F2167-W2192 AromaticContact CE1-CZ3 3.31Å; F2167-W2192 HydrophobicContact CE1-CZ3 3.31Å; F2167-W2192 HydrophobicContact CZ-CE3 4.44Å; F2167-W2192 AromaticContact CZ-CH2 3.61Å; F2167-W2192 HydrophobicContact CZ-CH2 3.61Å; F2167-W2192 HydrophobicContact CZ-CZ2 4.21Å; F2167-W2192 AromaticContact CZ-CZ3 3.76Å; F2167-W2192 HydrophobicContact CZ-CZ3 3.76Å; L2179-W2192 HydrophobicContact CD2-CB 4.34Å; L2179-W2192 HydrophobicContact CD2-CE3 4.28Å; L2179-W2192 HydrophobicContact CG-CB 4.22Å; L2179-W2192 WeakPolarHBondContact O-CB 3.43Å; L2179-W2192 PolarHBondContact O-N 2.99Å; K2181-W2192 HydrophobicContact CB-CD2 4.18Å; K2181-W2192 HydrophobicContact CB-CG 4.2Å; K2181-W2192 HydrophobicContact CB-CZ2 4.4Å; K2181-W2192 VanDerWaalsContact CD-CE2 3.49Å; K2181-W2192 HydrophobicContact CD-CH2 4.32Å; K2181-W2192 HydrophobicContact CD-CZ2 3.42Å; K2181-W2192 VanDerWaalsContact CD-CZ2 3.45Å; K2181-W2192 HydrophobicContact CG-CZ2 4.45Å; W2192-I2220 HydrophobicContact CE3-CD1 4.36Å; W2192-I2220 HydrophobicContact CZ3-CD1 4.01Å |
| 2193 | H | 84.8 | Confident | 82.8 | Confident | 45.25 Ų | 45.25 | 62 Ų | 62 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.4 | 179.9 | -68.3 | -59.1 | 0 | 0 | 0 | 110.4 | A2178 L2179 I2195 K2239 | A2178-H2193 WeakPolarHBondContact CA-O 3.27Å; L2179-H2193 HydrophobicContact CB-CB 4.41Å; L2179-H2193 PolarHBondContact N-O 3.1Å; L2179-H2193 PolarHBondContact O-N 3.12Å; H2193-I2195 HydrophobicContact CB-CD1 4.41Å; H2193-I2195 HydrophobicContact CB-CG1 4.48Å; H2193-K2239 PolarHBondContact CE1-O 3.29Å; H2193-K2239 PolarHBondContact NE2-O 3.03Å |
| 2194 | L | 86.7 | Confident | 82.5 | Confident | 70.75 Ų | 70.75 | 61.6 Ų | 61.6 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.8 | 171 | -175.3 | 68.6 | 0 | 0 | 0 | 107.7 | E2153 Q2176 L2177 A2178 L2191 | E2153-L2194 HydrophobicContact CB-CD1 4.44Å; Q2176-L2194 HydrophobicContact CG-CD1 3.8Å; Q2176-L2194 HydrophobicContact CG-CG 4.4Å; L2177-L2194 CarbonylContact O-C 3.52Å; L2177-L2194 WeakPolarHBondContact O-CA 3.41Å; A2178-L2194 HydrophobicContact CB-CD1 3.74Å; L2191-L2194 HydrophobicContact CD2-CB 4.41Å |
| 2195 | I | 83 | Confident | 82.5 | Confident | 31.25 Ų | 31.25 | 60 Ų | 60 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | -178.6 | -52.9 | 172.4 | 0 | 0 | 0 | 107.5 | Q2176 L2177 H2193 V2198 L2241 | Q2176-I2195 CarbonylContact C-O 3.5Å; Q2176-I2195 VanDerWaalsContact CA-O 3.3Å; Q2176-I2195 WeakPolarHBondContact CA-O 3.32Å; L2177-I2195 HydrophobicContact CB-CB 4.28Å; L2177-I2195 HydrophobicContact CD1-CD1 4.37Å; L2177-I2195 HydrophobicContact CD2-CD1 4Å; L2177-I2195 HydrophobicContact CD2-CG1 4.17Å; L2177-I2195 HydrophobicContact CG-CD1 4.45Å; L2177-I2195 PolarHBondContact N-O 3.16Å; L2177-I2195 PolarHBondContact O-N 3.19Å; H2193-I2195 HydrophobicContact CB-CD1 4.41Å; H2193-I2195 HydrophobicContact CB-CG1 4.48Å; I2195-V2198 HydrophobicContact CB-CG2 3.94Å; I2195-V2198 HydrophobicContact CG2-CG2 3.51Å; I2195-V2198 VanDerWaalsContact CG2-CG2 3.46Å; I2195-L2241 HydrophobicContact CB-CD2 4.43Å; I2195-L2241 HydrophobicContact CD1-CB 3.69Å; I2195-L2241 HydrophobicContact CD1-CD1 3.57Å; I2195-L2241 HydrophobicContact CD1-CD2 3.3Å; I2195-L2241 VanDerWaalsContact CD1-CD2 3.44Å; I2195-L2241 HydrophobicContact CD1-CG 3.84Å; I2195-L2241 HydrophobicContact CG1-CD2 3.92Å; I2195-L2241 HydrophobicContact CG2-CD2 3.76Å |
| 2196 | N | 83.5 | Confident | 82.7 | Confident | 99 Ų | 99 | 55 Ų | 55 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -98.7 | 148 | 173.9 | -61.6 | -26 | 0 | 0 | 0 | 108.9 | Q2176 | Q2176-N2196 VanDerWaalsContact CG-OD1 3.27Å; Q2176-N2196 WeakPolarHBondContact CG-OD1 3.43Å; Q2176-N2196 PolarHBondContact NE2-OD1 3.09Å |
| 2197 | D | 80.5 | Confident | 82.7 | Confident | 104.25 Ų | 104.25 | 51.3 Ų | 51.3 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 61.9 | 53.8 | 173.7 | -107.1 | -11.3 | 0 | 0 | 0 | 114.8 | R2175 G2199 | R2175-D2197 IonicContact CZ-OD1 3.58Å; R2175-D2197 IonicContact NE-OD1 3Å; R2175-D2197 PolarHBondContact NE-OD1 3.31Å; R2175-D2197 IonicContact NH1-OD1 3.88Å; R2175-D2197 PolarHBondContact NH1-OD1 3.23Å; R2175-D2197 VanDerWaalsContact NH1-OD1 3.13Å; R2175-D2197 IonicContact NH2-OD1 3.31Å; R2175-D2197 PolarHBondContact NH2-OD1 3.15Å; R2175-D2197 IonicContact NH2-OD2 3.81Å; R2175-D2197 PolarHBondContact O-N 3.16Å; R2175-D2197 VanDerWaalsContact O-N 3.14Å; D2197-G2199 PolarHBondContact O-N 3.45Å |
| 2198 | V | 78.6 | Confident | 82.7 | Confident | 1.5 Ų | 1.5 | 47.7 Ų | 47.7 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | trans | -79.1 | 131.3 | 177.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | R2175 L2177 I2195 I2224 Y2234 | R2175-V2198 WeakPolarHBondContact CB-O 3.4Å; R2175-V2198 WeakPolarHBondContact CD-O 3.45Å; R2175-V2198 PolarHBondContact O-N 3.21Å; L2177-V2198 HydrophobicContact CB-CG2 3.77Å; L2177-V2198 HydrophobicContact CD1-CG1 4.39Å; L2177-V2198 HydrophobicContact CD1-CG2 4.36Å; I2195-V2198 HydrophobicContact CB-CG2 3.94Å; I2195-V2198 HydrophobicContact CG2-CG2 3.51Å; I2195-V2198 VanDerWaalsContact CG2-CG2 3.46Å; V2198-I2224 HydrophobicContact CB-CD1 4.45Å; V2198-I2224 HydrophobicContact CG1-CD1 3.25Å; V2198-Y2234 HydrophobicContact CG1-CD2 4.04Å; V2198-Y2234 HydrophobicContact CG1-CE1 4.31Å; V2198-Y2234 HydrophobicContact CG1-CE2 3.36Å; V2198-Y2234 VanDerWaalsContact CG1-CE2 3.45Å; V2198-Y2234 VanDerWaalsContact CG1-CZ 3.45Å | ||
| 2199 | G | 72.8 | Confident | 82.2 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 70.6 | -177.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D2197 Y2234 | D2197-G2199 PolarHBondContact O-N 3.45Å; G2199-Y2234 PolarHBondContact N-OH 3.14Å; G2199-Y2234 VanDerWaalsContact N-OH 3.07Å |
| 2200 | T | 76.2 | Confident | 81.4 | Confident | 84.75 Ų | 84.75 | 46.7 Ų | 46.7 | 52% | 0.52 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -95 | -27.9 | -178.8 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | R2175 D2226 N2228 L2230 | R2175-T2200 PolarHBondContact NH1-O 3.06Å; T2200-D2226 PolarHBondContact OG1-OD2 2.94Å; T2200-N2228 PolarHBondContact OG1-ND2 3.14Å; T2200-N2228 VanDerWaalsContact OG1-ND2 3.13Å; T2200-L2230 HydrophobicContact CG2-CD1 4.34Å |
| 2201 | A | 81.1 | Confident | 80.2 | Confident | 15.6667 Ų | 15.6667 | 44.2 Ų | 44.2 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -135.6 | -170.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R2175 I2203 D2226 S2227 N2228 | R2175-A2201 VanDerWaalsContact CD-O 3.28Å; R2175-A2201 WeakPolarHBondContact CD-O 3.24Å; A2201-I2203 PolarHBondContact O-N 3.33Å; A2201-D2226 HydrophobicContact CB-CB 4.29Å; A2201-S2227 WeakPolarHBondContact CB-OG 3.39Å; A2201-N2228 HydrophobicContact CB-CB 4.49Å; A2201-N2228 WeakPolarHBondContact CB-ND2 3.47Å |
| 2202 | T | 80.6 | Confident | 78.6 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | trans | -65.4 | 135.4 | 179.1 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | T2204 D2226 S2227 | T2202-T2204 PolarHBondContact O-N 3.16Å; T2202-D2226 WeakPolarHBondContact O-CA 3.31Å; T2202-S2227 PolarHBondContact O-N 2.84Å; T2202-S2227 WeakPolarHBondContact OG1-CB 3.4Å; T2202-S2227 PolarHBondContact OG1-OG 3.25Å; T2202-S2227 VanDerWaalsContact OG1-OG 3.08Å | ||
| 2203 | I | 82.4 | Confident | 77.1 | Confident | 17.6667 Ų | 17.6667 | 44.4 Ų | 44.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.8 | 179 | -59.8 | 169.6 | 0 | 0 | 0 | 109.1 | I2159 A2171 A2201 I2224 | I2159-I2203 HydrophobicContact CD1-CB 4.19Å; A2171-I2203 HydrophobicContact CB-CD1 3.89Å; A2201-I2203 PolarHBondContact O-N 3.33Å; I2203-I2224 HydrophobicContact CB-CG2 4.37Å; I2203-I2224 HydrophobicContact CD1-CG2 4.34Å; I2203-I2224 HydrophobicContact CG1-CG2 3.84Å; I2203-I2224 HydrophobicContact CG2-CG2 3.89Å |
| 2204 | T | 79.3 | Confident | 75.4 | Confident | 34.3333 Ų | 34.3333 | 44.4 Ų | 44.4 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -26 | 179.3 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | T2202 G2225 D2226 P2253 I2254 | T2202-T2204 PolarHBondContact O-N 3.16Å; T2204-G2225 PolarHBondContact N-O 3.19Å; T2204-G2225 PolarHBondContact OG1-O 2.93Å; T2204-D2226 PolarHBondContact OG1-O 2.86Å; T2204-P2253 HydrophobicContact CG2-CB 4.28Å; T2204-I2254 CarbonylContact C-O 3.53Å; T2204-I2254 VanDerWaalsContact CB-O 3.25Å; T2204-I2254 WeakPolarHBondContact CB-O 3.37Å; T2204-I2254 PolarHBondContact OG1-O 3.03Å |
| 2205 | S | 77.1 | Confident | 73.8 | Confident | 8.33333 Ų | 8.33333 | 47.4 Ų | 47.4 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 155.6 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | G2225 I2254 M2257 | S2205-G2225 PolarHBondContact N-O 3.14Å; S2205-G2225 PolarHBondContact O-N 2.88Å; S2205-G2225 WeakPolarHBondContact OG-CA 3.42Å; S2205-G2225 PolarHBondContact OG-N 3.44Å; S2205-I2254 VanDerWaalsContact CB-O 3.28Å; S2205-I2254 WeakPolarHBondContact CB-O 3.37Å; S2205-I2254 WeakPolarHBondContact OG-CB 3.3Å; S2205-I2254 VanDerWaalsContact OG-CG2 3.29Å; S2205-I2254 WeakPolarHBondContact OG-CG2 3.43Å; S2205-I2254 PolarHBondContact OG-O 3.19Å; S2205-M2257 VanDerWaalsContact C-CE 3.44Å; S2205-M2257 WeakPolarHBondContact O-CE 3.26Å; S2205-M2257 VanDerWaalsContact OG-CE 3.31Å; S2205-M2257 WeakPolarHBondContact OG-CE 3.39Å |
| 2206 | F | 81.1 | Confident | 72.2 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 129.9 | -167.1 | -172.4 | -97 | 0 | 0 | 0 | 111.4 | A2160 S2162 V2169 A2171 L2177 V2222 Y2223 I2224 M2257 | A2160-F2206 HydrophobicContact CB-CB 3.73Å; A2160-F2206 HydrophobicContact CB-CD1 4.29Å; A2160-F2206 HydrophobicContact CB-CG 4.04Å; S2162-F2206 VanDerWaalsContact CB-CE1 3.47Å; V2169-F2206 HydrophobicContact CB-CE1 3.8Å; V2169-F2206 HydrophobicContact CB-CZ 3.5Å; V2169-F2206 VanDerWaalsContact CB-CZ 3.44Å; V2169-F2206 HydrophobicContact CG1-CE1 3.98Å; V2169-F2206 HydrophobicContact CG1-CE2 4.07Å; V2169-F2206 HydrophobicContact CG1-CZ 3.24Å; V2169-F2206 HydrophobicContact CG2-CZ 4.36Å; A2171-F2206 HydrophobicContact CB-CD2 4.23Å; A2171-F2206 HydrophobicContact CB-CE2 4.35Å; L2177-F2206 HydrophobicContact CD1-CE2 3.82Å; L2177-F2206 HydrophobicContact CD1-CZ 4.34Å; F2206-V2222 HydrophobicContact CD2-CG1 4.43Å; F2206-V2222 HydrophobicContact CE1-CG1 4.42Å; F2206-V2222 HydrophobicContact CE2-CG1 3.39Å; F2206-V2222 VanDerWaalsContact CE2-CG1 3.46Å; F2206-V2222 HydrophobicContact CZ-CG1 3.4Å; F2206-V2222 VanDerWaalsContact CZ-CG1 3.46Å; F2206-Y2223 WeakPolarHBondContact CA-O 3.32Å; F2206-I2224 HydrophobicContact CD2-CG1 4.09Å; F2206-I2224 HydrophobicContact CE2-CD1 4.4Å; F2206-I2224 HydrophobicContact CE2-CG1 4.1Å; F2206-M2257 VanDerWaalsContact N-CE 3.31Å |
| 2207 | Y | 82.9 | Confident | 70.8 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.9 | 177.5 | -165.2 | -90.4 | 0 | 0 | 0 | 112.3 | L2209 Y2223 M2257 E2258 R2259 L2264 | Y2207-L2209 HydrophobicContact CD1-CB 4.36Å; Y2207-L2209 HydrophobicContact CE1-CB 4.29Å; Y2207-L2209 HydrophobicContact CE1-CD1 4.19Å; Y2207-Y2223 HydrophobicContact CD1-CD2 4.27Å; Y2207-Y2223 PolarHBondContact N-O 3.05Å; Y2207-Y2223 PolarHBondContact O-N 3Å; Y2207-M2257 VanDerWaalsContact CD2-O 3.29Å; Y2207-M2257 WeakPolarHBondContact CD2-O 3.4Å; Y2207-E2258 HydrophobicContact CE2-CG 4.43Å; Y2207-R2259 HydrophobicContact CE1-CB 3.81Å; Y2207-R2259 HydrophobicContact CE2-CB 4.33Å; Y2207-R2259 VanDerWaalsContact OH-CB 3.31Å; Y2207-R2259 WeakPolarHBondContact OH-CB 3.42Å; Y2207-R2259 PolarHBondContact OH-N 2.9Å; Y2207-L2264 HydrophobicContact CD1-CD1 4.13Å; Y2207-L2264 HydrophobicContact CG-CD1 4.33Å |
| 2208 | L | 83.4 | Confident | 69.9 | Low | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.6 | 173.8 | 179.9 | 64.3 | 0 | 0 | 0 | 109.7 | S2162 E2164 F2167 V2169 L2179 I2220 V2222 | S2162-L2208 WeakPolarHBondContact OG-CB 3.32Å; S2162-L2208 PolarHBondContact OG-N 2.98Å; S2162-L2208 VanDerWaalsContact OG-N 3.07Å; E2164-L2208 HydrophobicContact CB-CD2 4.2Å; E2164-L2208 HydrophobicContact CB-CG 4.38Å; E2164-L2208 VanDerWaalsContact OE2-O 3.08Å; F2167-L2208 HydrophobicContact CB-CD2 4.11Å; V2169-L2208 HydrophobicContact CB-CD1 4.46Å; V2169-L2208 HydrophobicContact CG2-CD1 3.64Å; V2169-L2208 HydrophobicContact CG2-CD2 4.07Å; V2169-L2208 HydrophobicContact CG2-CG 4.34Å; L2179-L2208 HydrophobicContact CD1-CD1 4.48Å; L2208-I2220 HydrophobicContact CD1-CG2 3.53Å; L2208-I2220 HydrophobicContact CG-CG2 4.39Å; L2208-V2222 HydrophobicContact CD1-CG2 3.83Å |
| 2209 | L | 78.4 | Confident | 69.6 | Low | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.2 | 177 | -175.4 | 65 | 0 | 0 | 0 | 112.6 | E2164 Y2207 M2211 I2220 S2221 Y2223 R2259 H2278 | E2164-L2209 WeakPolarHBondContact OE2-CA 3.4Å; E2164-L2209 PolarHBondContact OE2-N 3.17Å; Y2207-L2209 HydrophobicContact CD1-CB 4.36Å; Y2207-L2209 HydrophobicContact CE1-CB 4.29Å; Y2207-L2209 HydrophobicContact CE1-CD1 4.19Å; L2209-M2211 HydrophobicContact CD2-CG 3.64Å; L2209-M2211 HydrophobicContact CD2-SD 3.69Å; L2209-M2211 HydrophobicContact CG-CG 3.76Å; L2209-M2211 HydrophobicContact CG-SD 4.35Å; L2209-I2220 CarbonylContact O-C 3.53Å; L2209-I2220 WeakPolarHBondContact O-CA 3.32Å; L2209-S2221 WeakPolarHBondContact CA-O 3.39Å; L2209-S2221 PolarHBondContact N-O 2.93Å; L2209-S2221 PolarHBondContact O-N 3.14Å; L2209-S2221 VanDerWaalsContact O-O 3.09Å; L2209-S2221 PolarHBondContact O-OG 3.44Å; L2209-Y2223 HydrophobicContact CB-CD2 4.18Å; L2209-Y2223 HydrophobicContact CB-CE2 3.7Å; L2209-Y2223 HydrophobicContact CD2-CE2 3.73Å; L2209-Y2223 HydrophobicContact CG-CE2 4.35Å; L2209-R2259 HydrophobicContact CD1-CB 3.86Å; L2209-R2259 HydrophobicContact CD1-CG 3.99Å; L2209-H2278 VanDerWaalsContact CD2-CD2 3.44Å; L2209-H2278 WeakPolarHBondContact CD2-CD2 3.22Å; L2209-H2278 WeakPolarHBondContact CD2-CE1 3.38Å; L2209-H2278 VanDerWaalsContact CD2-NE2 3.34Å; L2209-H2278 WeakPolarHBondContact CD2-NE2 3.27Å |
| 2210 | R | 73.1 | Confident | 69.8 | Low | 56.3333 Ų | 56.3333 | 52.3 Ų | 52.3 | 21% | 0.213 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.5 | 172.1 | -173.7 | -175.9 | 173.3 | -169.7 | -3.8 | 108.7 | E2164 S2165 F2212 I2218 R2259 | E2164-R2210 VanDerWaalsContact CD-CB 3.46Å; E2164-R2210 HydrophobicContact CG-CB 4.23Å; E2164-R2210 VanDerWaalsContact OE1-CB 3.29Å; E2164-R2210 WeakPolarHBondContact OE1-CB 3.26Å; E2164-R2210 PolarHBondContact OE1-N 2.96Å; E2164-R2210 WeakPolarHBondContact OE2-CB 3.01Å; E2164-R2210 PolarHBondContact OE2-N 3.33Å; S2165-R2210 PolarHBondContact OG-NH1 3.36Å; R2210-F2212 VanDerWaalsContact NH2-CZ 3.3Å; R2210-I2218 HydrophobicContact CG-CG2 3.6Å; R2210-I2218 VanDerWaalsContact NH2-CD1 3.26Å; R2210-R2259 PolarHBondContact O-NH1 3.49Å |
| 2211 | M | 64 | Low | 70.2 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.3 | 178.8 | -56.7 | -173.2 | 63.1 | 0 | 0 | 110.8 | L2209 I2218 S2219 H2278 D2279 G2282 | L2209-M2211 HydrophobicContact CD2-CG 3.64Å; L2209-M2211 HydrophobicContact CD2-SD 3.69Å; L2209-M2211 HydrophobicContact CG-CG 3.76Å; L2209-M2211 HydrophobicContact CG-SD 4.35Å; M2211-I2218 CarbonylContact O-C 3.58Å; M2211-I2218 VanDerWaalsContact O-CA 3.31Å; M2211-I2218 WeakPolarHBondContact O-CA 3.32Å; M2211-S2219 WeakPolarHBondContact CB-OG 3.28Å; M2211-S2219 PolarHBondContact N-O 2.85Å; M2211-S2219 PolarHBondContact O-N 3.15Å; M2211-S2219 PolarHBondContact O-OG 2.86Å; M2211-H2278 HydrophobicContact CE-CB 3.59Å; M2211-H2278 WeakPolarHBondContact CE-CD2 3.24Å; M2211-H2278 PolarHBondContact SD-CD2 2.85Å; M2211-D2279 WeakPolarHBondContact CE-O 3.3Å; M2211-G2282 WeakPolarHBondContact SD-CA 3.01Å; M2211-G2282 PolarHBondContact SD-N 3.08Å |
| 2212 | F | 56 | Low | 70.4 | Confident | 128 Ų | 128 | 47.7 Ų | 47.7 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.4 | 168.9 | -70.1 | -87.9 | 0 | 0 | 0 | 108.7 | R2210 G2214 T2217 I2218 | R2210-F2212 VanDerWaalsContact NH2-CZ 3.3Å; F2212-G2214 PolarHBondContact O-N 2.89Å; F2212-T2217 CarbonylContact C-O 3.48Å; F2212-I2218 HydrophobicContact CD1-CD1 4.21Å; F2212-I2218 HydrophobicContact CD1-CG1 3.91Å; F2212-I2218 HydrophobicContact CE1-CD1 3.61Å; F2212-I2218 VanDerWaalsContact CE1-CD1 3.48Å; F2212-I2218 HydrophobicContact CE1-CG1 3.86Å; F2212-I2218 HydrophobicContact CZ-CD1 4.3Å |
| 2213 | I | 52.6 | Low | 70.7 | Confident | 42.3333 Ų | 42.3333 | 43.7 Ų | 43.7 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 86.5 | 169 | -57.9 | -179.1 | 0 | 0 | 0 | 106.1 | T2217 S2219 Y2281 | I2213-T2217 CarbonylContact C-O 3.54Å; I2213-T2217 VanDerWaalsContact C-O 3.31Å; I2213-T2217 WeakPolarHBondContact CA-O 3.18Å; I2213-T2217 PolarHBondContact N-O 3.11Å; I2213-T2217 WeakPolarHBondContact O-CB 3.24Å; I2213-T2217 PolarHBondContact O-N 3.02Å; I2213-T2217 VanDerWaalsContact O-O 3.1Å; I2213-T2217 PolarHBondContact O-OG1 2.95Å; I2213-S2219 VanDerWaalsContact CD1-CB 3.45Å; I2213-S2219 VanDerWaalsContact CD1-OG 3.28Å; I2213-S2219 WeakPolarHBondContact CD1-OG 3.21Å; I2213-S2219 WeakPolarHBondContact CG1-OG 3.39Å; I2213-Y2281 HydrophobicContact CD1-CD1 3.95Å; I2213-Y2281 HydrophobicContact CG1-CD1 4.32Å; I2213-Y2281 HydrophobicContact CG2-CD1 4.46Å; I2213-Y2281 HydrophobicContact CG2-CE1 4.06Å |
| 2214 | G | 51 | Low | 70.8 | Confident | 46.3333 Ų | 46.3333 | 42.9 Ų | 42.9 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -161.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | F2212 | F2212-G2214 PolarHBondContact O-N 2.89Š|
| 2215 | V | 52 | Low | 71.1 | Confident | 133.667 Ų | 133.667 | 41.3 Ų | 41.3 | 81% | 0.81 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.4 | -168.2 | -166.8 | 0 | 0 | 0 | 0 | 113 | Y2431 | V2215-Y2431 HydrophobicContact CG2-CE2 4.32Š|
| 2216 | K | 49.9 | Very low | 71.4 | Confident | 197 Ų | 197 | 40.9 Ų | 40.9 | 86% | 0.857 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -25 | -170.9 | -67.9 | -171.4 | 177.2 | -174.7 | 0 | 115.5 | ||
| 2217 | T | 53 | Low | 71.5 | Confident | 74.3333 Ų | 74.3333 | 41.8 Ų | 41.8 | 46% | 0.456 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.1 | -176.3 | 35.3 | 0 | 0 | 0 | 0 | 111.2 | F2212 I2213 | F2212-T2217 CarbonylContact C-O 3.48Å; I2213-T2217 CarbonylContact C-O 3.54Å; I2213-T2217 VanDerWaalsContact C-O 3.31Å; I2213-T2217 WeakPolarHBondContact CA-O 3.18Å; I2213-T2217 PolarHBondContact N-O 3.11Å; I2213-T2217 WeakPolarHBondContact O-CB 3.24Å; I2213-T2217 PolarHBondContact O-N 3.02Å; I2213-T2217 VanDerWaalsContact O-O 3.1Å; I2213-T2217 PolarHBondContact O-OG1 2.95Å |
| 2218 | I | 62.4 | Low | 71.4 | Confident | 67.6667 Ų | 67.6667 | 43.5 Ų | 43.5 | 35% | 0.347 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.9 | 177.4 | -56.9 | 174.4 | 0 | 0 | 0 | 106.5 | R2210 M2211 F2212 I2220 | R2210-I2218 HydrophobicContact CG-CG2 3.6Å; R2210-I2218 VanDerWaalsContact NH2-CD1 3.26Å; M2211-I2218 CarbonylContact O-C 3.58Å; M2211-I2218 VanDerWaalsContact O-CA 3.31Å; M2211-I2218 WeakPolarHBondContact O-CA 3.32Å; F2212-I2218 HydrophobicContact CD1-CD1 4.21Å; F2212-I2218 HydrophobicContact CD1-CG1 3.91Å; F2212-I2218 HydrophobicContact CE1-CD1 3.61Å; F2212-I2218 VanDerWaalsContact CE1-CD1 3.48Å; F2212-I2218 HydrophobicContact CE1-CG1 3.86Å; F2212-I2218 HydrophobicContact CZ-CD1 4.3Å; I2218-I2220 HydrophobicContact CG2-CG1 4.02Å |
| 2219 | S | 72.4 | Confident | 71.3 | Confident | 8.33333 Ų | 8.33333 | 45.2 Ų | 45.2 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129 | 168.9 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | M2211 I2213 | M2211-S2219 WeakPolarHBondContact CB-OG 3.28Å; M2211-S2219 PolarHBondContact N-O 2.85Å; M2211-S2219 PolarHBondContact O-N 3.15Å; M2211-S2219 PolarHBondContact O-OG 2.86Å; I2213-S2219 VanDerWaalsContact CD1-CB 3.45Å; I2213-S2219 VanDerWaalsContact CD1-OG 3.28Å; I2213-S2219 WeakPolarHBondContact CD1-OG 3.21Å; I2213-S2219 WeakPolarHBondContact CG1-OG 3.39Å |
| 2220 | I | 77.5 | Confident | 71.6 | Confident | 9.33333 Ų | 9.33333 | 46.3 Ų | 46.3 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.8 | 171 | -58.9 | 172.1 | 0 | 0 | 0 | 106.2 | F2167 L2179 W2192 L2208 L2209 I2218 A2235 V2236 | F2167-I2220 HydrophobicContact CD1-CD1 4.02Å; F2167-I2220 HydrophobicContact CD2-CD1 3.87Å; F2167-I2220 HydrophobicContact CE1-CD1 3.97Å; F2167-I2220 HydrophobicContact CE2-CD1 3.81Å; F2167-I2220 HydrophobicContact CG-CD1 3.97Å; F2167-I2220 HydrophobicContact CZ-CD1 3.85Å; L2179-I2220 HydrophobicContact CD1-CG2 4.46Å; L2179-I2220 HydrophobicContact CD2-CD1 4.4Å; W2192-I2220 HydrophobicContact CE3-CD1 4.36Å; W2192-I2220 HydrophobicContact CZ3-CD1 4.01Å; L2208-I2220 HydrophobicContact CD1-CG2 3.53Å; L2208-I2220 HydrophobicContact CG-CG2 4.39Å; L2209-I2220 CarbonylContact O-C 3.53Å; L2209-I2220 WeakPolarHBondContact O-CA 3.32Å; I2218-I2220 HydrophobicContact CG2-CG1 4.02Å; I2220-A2235 CarbonylContact O-C 3.52Å; I2220-A2235 WeakPolarHBondContact O-CA 3.36Å; I2220-V2236 HydrophobicContact CB-CB 4.39Å; I2220-V2236 HydrophobicContact CB-CG2 4Å; I2220-V2236 HydrophobicContact CG2-CG2 4.44Å; I2220-V2236 PolarHBondContact N-O 3.4Å; I2220-V2236 VanDerWaalsContact N-O 3.15Å; I2220-V2236 PolarHBondContact O-N 3.17Å |
| 2221 | S | 83.4 | Confident | 72.2 | Confident | 1.66667 Ų | 1.66667 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.8 | 177.6 | -40.8 | 0 | 0 | 0 | 0 | 110.1 | L2209 Y2223 N2233 Y2234 | L2209-S2221 WeakPolarHBondContact CA-O 3.39Å; L2209-S2221 PolarHBondContact N-O 2.93Å; L2209-S2221 PolarHBondContact O-N 3.14Å; L2209-S2221 VanDerWaalsContact O-O 3.09Å; L2209-S2221 PolarHBondContact O-OG 3.44Å; S2221-Y2223 WeakPolarHBondContact OG-CE2 3.38Å; S2221-Y2223 PolarHBondContact OG-OH 3.39Å; S2221-N2233 WeakPolarHBondContact CB-OD1 3.28Å; S2221-N2233 PolarHBondContact OG-OD1 2.89Å; S2221-Y2234 CarbonylContact C-O 3.54Å; S2221-Y2234 VanDerWaalsContact CA-O 3.27Å; S2221-Y2234 WeakPolarHBondContact CA-O 3.33Å |
| 2222 | V | 85.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.4 | 177 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | V2169 L2177 F2206 L2208 I2224 Y2234 L2241 | V2169-V2222 HydrophobicContact CG2-CG2 4.14Å; L2177-V2222 HydrophobicContact CD1-CG1 4.03Å; F2206-V2222 HydrophobicContact CD2-CG1 4.43Å; F2206-V2222 HydrophobicContact CE1-CG1 4.42Å; F2206-V2222 HydrophobicContact CE2-CG1 3.39Å; F2206-V2222 VanDerWaalsContact CE2-CG1 3.46Å; F2206-V2222 HydrophobicContact CZ-CG1 3.4Å; F2206-V2222 VanDerWaalsContact CZ-CG1 3.46Å; L2208-V2222 HydrophobicContact CD1-CG2 3.83Å; V2222-I2224 HydrophobicContact CG1-CD1 4.41Å; V2222-I2224 HydrophobicContact CG1-CG1 4.16Å; V2222-Y2234 PolarHBondContact N-O 3.09Å; V2222-Y2234 PolarHBondContact O-N 2.93Å; V2222-L2241 HydrophobicContact CG2-CD1 4.48Å |
| 2223 | Y | 86.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.2 | 178.4 | -60.9 | -77.2 | 0 | 0 | 0 | 110.3 | F2206 Y2207 L2209 S2221 L2231 H2232 N2233 M2257 L2264 H2278 G2282 L2284 | F2206-Y2223 WeakPolarHBondContact CA-O 3.32Å; Y2207-Y2223 HydrophobicContact CD1-CD2 4.27Å; Y2207-Y2223 PolarHBondContact N-O 3.05Å; Y2207-Y2223 PolarHBondContact O-N 3Å; L2209-Y2223 HydrophobicContact CB-CD2 4.18Å; L2209-Y2223 HydrophobicContact CB-CE2 3.7Å; L2209-Y2223 HydrophobicContact CD2-CE2 3.73Å; L2209-Y2223 HydrophobicContact CG-CE2 4.35Å; S2221-Y2223 WeakPolarHBondContact OG-CE2 3.38Å; S2221-Y2223 PolarHBondContact OG-OH 3.39Å; Y2223-L2231 HydrophobicContact CD1-CD1 4.47Å; Y2223-H2232 CarbonylContact C-O 3.55Å; Y2223-H2232 VanDerWaalsContact CA-O 3.31Å; Y2223-H2232 WeakPolarHBondContact CA-O 3.4Å; Y2223-N2233 HydrophobicContact CD1-CB 3.88Å; Y2223-N2233 HydrophobicContact CE1-CB 3.71Å; Y2223-N2233 VanDerWaalsContact CE1-CG 3.45Å; Y2223-N2233 WeakPolarHBondContact CE1-ND2 3.23Å; Y2223-N2233 PolarHBondContact OH-ND2 3.11Å; Y2223-M2257 VanDerWaalsContact O-CE 3.26Å; Y2223-M2257 WeakPolarHBondContact O-CE 3.27Å; Y2223-L2264 HydrophobicContact CD1-CD2 3.8Å; Y2223-L2264 HydrophobicContact CD2-CD1 4.49Å; Y2223-L2264 HydrophobicContact CD2-CD2 3.94Å; Y2223-L2264 HydrophobicContact CE1-CD2 4.16Å; Y2223-L2264 HydrophobicContact CE2-CD2 4.27Å; Y2223-L2264 HydrophobicContact CG-CD2 3.68Å; Y2223-H2278 AromaticContact CZ-CE1 3.95Å; Y2223-H2278 AromaticContact CZ-NE2 3.89Å; Y2223-H2278 PolarHBondContact OH-CD2 2.86Å; Y2223-H2278 PolarHBondContact OH-CE1 3.49Å; Y2223-H2278 PolarHBondContact OH-NE2 2.94Å; Y2223-G2282 WeakPolarHBondContact OH-CA 3.38Å; Y2223-G2282 PolarHBondContact OH-O 3.38Å; Y2223-L2284 HydrophobicContact CD1-CD1 3.75Å; Y2223-L2284 HydrophobicContact CD1-CG 4.26Å; Y2223-L2284 HydrophobicContact CE1-CD1 3.31Å; Y2223-L2284 VanDerWaalsContact CE1-CD1 3.42Å; Y2223-L2284 HydrophobicContact CE1-CD2 4.24Å; Y2223-L2284 HydrophobicContact CE1-CG 3.76Å |
| 2224 | I | 85.6 | Confident | 76.3 | Confident | 0.666667 Ų | 0.666667 | 36.3 Ų | 36.3 | 0% | 0.003 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119 | -174 | -56.4 | 176.8 | 0 | 0 | 0 | 108.4 | L2177 V2198 I2203 F2206 V2222 L2231 H2232 Y2234 | L2177-I2224 HydrophobicContact CD1-CD1 3.59Å; V2198-I2224 HydrophobicContact CB-CD1 4.45Å; V2198-I2224 HydrophobicContact CG1-CD1 3.25Å; I2203-I2224 HydrophobicContact CB-CG2 4.37Å; I2203-I2224 HydrophobicContact CD1-CG2 4.34Å; I2203-I2224 HydrophobicContact CG1-CG2 3.84Å; I2203-I2224 HydrophobicContact CG2-CG2 3.89Å; F2206-I2224 HydrophobicContact CD2-CG1 4.09Å; F2206-I2224 HydrophobicContact CE2-CD1 4.4Å; F2206-I2224 HydrophobicContact CE2-CG1 4.1Å; V2222-I2224 HydrophobicContact CG1-CD1 4.41Å; V2222-I2224 HydrophobicContact CG1-CG1 4.16Å; I2224-L2231 WeakPolarHBondContact O-CA 3.15Å; I2224-H2232 HydrophobicContact CB-CB 4.37Å; I2224-H2232 PolarHBondContact N-O 3.15Å; I2224-H2232 PolarHBondContact O-N 3.06Å; I2224-Y2234 HydrophobicContact CD1-CD2 3.86Å; I2224-Y2234 HydrophobicContact CD1-CE2 4Å; I2224-Y2234 HydrophobicContact CG1-CD2 4.49Å |
| 2225 | G | 85.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | T2204 S2205 L2230 | T2204-G2225 PolarHBondContact N-O 3.19Å; T2204-G2225 PolarHBondContact OG1-O 2.93Å; S2205-G2225 PolarHBondContact N-O 3.14Å; S2205-G2225 PolarHBondContact O-N 2.88Å; S2205-G2225 WeakPolarHBondContact OG-CA 3.42Å; S2205-G2225 PolarHBondContact OG-N 3.44Å; G2225-L2230 WeakPolarHBondContact CA-O 3.23Å |
| 2226 | D | 83.4 | Confident | 78.9 | Confident | 0.666667 Ų | 0.666667 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 168.3 | 174.5 | 79.2 | 7.5 | 0 | 0 | 0 | 112.8 | T2200 A2201 T2202 T2204 N2228 N2229 L2230 H2232 | T2200-D2226 PolarHBondContact OG1-OD2 2.94Å; A2201-D2226 HydrophobicContact CB-CB 4.29Å; T2202-D2226 WeakPolarHBondContact O-CA 3.31Å; T2204-D2226 PolarHBondContact OG1-O 2.86Å; D2226-N2228 PolarHBondContact O-N 3.14Å; D2226-N2228 VanDerWaalsContact O-N 3.15Å; D2226-N2228 VanDerWaalsContact OD1-CA 3.32Å; D2226-N2228 WeakPolarHBondContact OD1-CA 3.34Å; D2226-N2228 WeakPolarHBondContact OD1-CB 3.32Å; D2226-N2228 PolarHBondContact OD1-N 2.87Å; D2226-N2229 PolarHBondContact O-N 3.2Å; D2226-N2229 VanDerWaalsContact O-N 3.16Å; D2226-N2229 PolarHBondContact OD1-N 3.04Å; D2226-L2230 PolarHBondContact N-O 3.11Å; D2226-L2230 WeakPolarHBondContact OD1-CB 3.33Å; D2226-L2230 PolarHBondContact OD1-N 3.09Å; D2226-H2232 IonicContact OD2-CD2 3.62Å; D2226-H2232 IonicContact OD2-CE1 3.76Å; D2226-H2232 IonicContact OD2-NE2 2.97Å; D2226-H2232 PolarHBondContact OD2-NE2 3.03Å |
| 2227 | S | 81.8 | Confident | 79.8 | Confident | 41.3333 Ų | 41.3333 | 22.7 Ų | 22.7 | 29% | 0.289 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -5.6 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | A2201 T2202 N2229 | A2201-S2227 WeakPolarHBondContact CB-OG 3.39Å; T2202-S2227 PolarHBondContact O-N 2.84Å; T2202-S2227 WeakPolarHBondContact OG1-CB 3.4Å; T2202-S2227 PolarHBondContact OG1-OG 3.25Å; T2202-S2227 VanDerWaalsContact OG1-OG 3.08Å; S2227-N2229 VanDerWaalsContact C-N 3.33Å |
| 2228 | N | 82.1 | Confident | 80.4 | Confident | 84 Ų | 84 | 25.8 Ų | 25.8 | 45% | 0.449 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 13.9 | 175.2 | -67.3 | -18.2 | 0 | 0 | 0 | 111.9 | T2200 A2201 D2226 L2230 | T2200-N2228 PolarHBondContact OG1-ND2 3.14Å; T2200-N2228 VanDerWaalsContact OG1-ND2 3.13Å; A2201-N2228 HydrophobicContact CB-CB 4.49Å; A2201-N2228 WeakPolarHBondContact CB-ND2 3.47Å; D2226-N2228 PolarHBondContact O-N 3.14Å; D2226-N2228 VanDerWaalsContact O-N 3.15Å; D2226-N2228 VanDerWaalsContact OD1-CA 3.32Å; D2226-N2228 WeakPolarHBondContact OD1-CA 3.34Å; D2226-N2228 WeakPolarHBondContact OD1-CB 3.32Å; D2226-N2228 PolarHBondContact OD1-N 2.87Å; N2228-L2230 VanDerWaalsContact C-N 3.26Å; N2228-L2230 PolarHBondContact O-N 3.27Å |
| 2229 | N | 81.4 | Confident | 80.6 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 69.4 | 20.2 | 178.2 | -35.4 | -30.6 | 0 | 0 | 0 | 113.3 | D2226 S2227 A2249 N2250 K2251 S2252 P2253 | D2226-N2229 PolarHBondContact O-N 3.2Å; D2226-N2229 VanDerWaalsContact O-N 3.16Å; D2226-N2229 PolarHBondContact OD1-N 3.04Å; S2227-N2229 VanDerWaalsContact C-N 3.33Å; N2229-A2249 PolarHBondContact O-N 3.1Å; N2229-N2250 WeakPolarHBondContact CB-O 3.42Å; N2229-K2251 PolarHBondContact ND2-O 3.03Å; N2229-S2252 VanDerWaalsContact CG-C 3.46Å; N2229-S2252 WeakPolarHBondContact OD1-CA 3.36Å; N2229-P2253 VanDerWaalsContact OD1-CA 3.29Å; N2229-P2253 WeakPolarHBondContact OD1-CA 3.27Å; N2229-P2253 WeakPolarHBondContact OD1-CD 3.32Å; N2229-P2253 VanDerWaalsContact OD1-CG 3.25Å; N2229-P2253 WeakPolarHBondContact OD1-CG 3.25Å |
| 2230 | L | 84.3 | Confident | 80.4 | Confident | 25.3333 Ų | 25.3333 | 37.6 Ų | 37.6 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.9 | 177.6 | -63.3 | 172 | 0 | 0 | 0 | 111.1 | T2200 G2225 D2226 N2228 T2246 F2247 H2248 | T2200-L2230 HydrophobicContact CG2-CD1 4.34Å; G2225-L2230 WeakPolarHBondContact CA-O 3.23Å; D2226-L2230 PolarHBondContact N-O 3.11Å; D2226-L2230 WeakPolarHBondContact OD1-CB 3.33Å; D2226-L2230 PolarHBondContact OD1-N 3.09Å; N2228-L2230 VanDerWaalsContact C-N 3.26Å; N2228-L2230 PolarHBondContact O-N 3.27Å; L2230-T2246 HydrophobicContact CB-CG2 4.17Å; L2230-T2246 HydrophobicContact CD1-CG2 4.18Å; L2230-T2246 HydrophobicContact CD2-CG2 4.11Å; L2230-T2246 HydrophobicContact CG-CG2 4.4Å; L2230-F2247 CarbonylContact C-O 3.57Å; L2230-F2247 WeakPolarHBondContact CA-O 3.24Å; L2230-H2248 WeakPolarHBondContact CD2-CE1 3.23Å; L2230-H2248 WeakPolarHBondContact CD2-ND1 3.39Å |
| 2231 | L | 85.8 | Confident | 80.2 | Confident | 0.666667 Ų | 0.666667 | 38.8 Ų | 38.8 | 0% | 0.003 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.6 | 170.1 | 178.8 | 62.5 | 0 | 0 | 0 | 109 | Y2223 I2224 T2246 F2247 A2249 I2254 M2257 L2264 W2276 L2284 | Y2223-L2231 HydrophobicContact CD1-CD1 4.47Å; I2224-L2231 WeakPolarHBondContact O-CA 3.15Å; L2231-T2246 CarbonylContact O-C 3.56Å; L2231-T2246 VanDerWaalsContact O-CA 3.32Å; L2231-T2246 WeakPolarHBondContact O-CA 3.4Å; L2231-F2247 HydrophobicContact CB-CB 4.46Å; L2231-F2247 PolarHBondContact N-O 3.21Å; L2231-F2247 PolarHBondContact O-N 3.05Å; L2231-A2249 HydrophobicContact CB-CB 3.84Å; L2231-A2249 HydrophobicContact CD2-CB 4.29Å; L2231-I2254 HydrophobicContact CB-CD1 3.8Å; L2231-I2254 HydrophobicContact CD1-CD1 4.2Å; L2231-I2254 HydrophobicContact CG-CD1 4.46Å; L2231-M2257 HydrophobicContact CD1-CE 4.45Å; L2231-M2257 HydrophobicContact CD1-SD 3.36Å; L2231-M2257 WeakPolarHBondContact CD1-SD 3.19Å; L2231-L2264 HydrophobicContact CD2-CD2 4.34Å; L2231-W2276 HydrophobicContact CD2-CD2 4.46Å; L2231-L2284 HydrophobicContact CD2-CD1 3.84Å; L2231-L2284 HydrophobicContact CG-CD1 4.19Å |
| 2232 | H | 86.6 | Confident | 79.9 | Confident | 4.66667 Ų | 4.66667 | 43.9 Ų | 43.9 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.1 | 175.9 | -55.6 | -81.6 | 0 | 0 | 0 | 110.5 | Y2223 I2224 D2226 Y2234 L2243 Q2245 T2246 | Y2223-H2232 CarbonylContact C-O 3.55Å; Y2223-H2232 VanDerWaalsContact CA-O 3.31Å; Y2223-H2232 WeakPolarHBondContact CA-O 3.4Å; I2224-H2232 HydrophobicContact CB-CB 4.37Å; I2224-H2232 PolarHBondContact N-O 3.15Å; I2224-H2232 PolarHBondContact O-N 3.06Å; D2226-H2232 IonicContact OD2-CD2 3.62Å; D2226-H2232 IonicContact OD2-CE1 3.76Å; D2226-H2232 IonicContact OD2-NE2 2.97Å; D2226-H2232 PolarHBondContact OD2-NE2 3.03Å; H2232-Y2234 HydrophobicContact CB-CD2 4.23Å; H2232-Y2234 HydrophobicContact CB-CE2 3.72Å; H2232-L2243 HydrophobicContact CB-CD1 4.08Å; H2232-Q2245 WeakPolarHBondContact CA-O 3.16Å; H2232-T2246 VanDerWaalsContact CE1-CG2 3.44Å; H2232-T2246 WeakPolarHBondContact CE1-CG2 3.42Å; H2232-T2246 VanDerWaalsContact ND1-CG2 3.34Å; H2232-T2246 WeakPolarHBondContact ND1-CG2 3.44Å; H2232-T2246 PolarHBondContact ND1-OG1 3.22Å |
| 2233 | N | 86.9 | Confident | 79.6 | Confident | 0.666667 Ų | 0.666667 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.7 | 174 | 178.2 | 5 | 0 | 0 | 0 | 109.8 | S2221 Y2223 K2244 Q2245 G2282 | S2221-N2233 WeakPolarHBondContact CB-OD1 3.28Å; S2221-N2233 PolarHBondContact OG-OD1 2.89Å; Y2223-N2233 HydrophobicContact CD1-CB 3.88Å; Y2223-N2233 HydrophobicContact CE1-CB 3.71Å; Y2223-N2233 VanDerWaalsContact CE1-CG 3.45Å; Y2223-N2233 WeakPolarHBondContact CE1-ND2 3.23Å; Y2223-N2233 PolarHBondContact OH-ND2 3.11Å; N2233-K2244 PolarHBondContact O-N 3.02Å; N2233-Q2245 HydrophobicContact CB-CB 4.36Å; N2233-Q2245 PolarHBondContact N-O 3.29Å; N2233-Q2245 PolarHBondContact O-N 3.12Å; N2233-G2282 PolarHBondContact ND2-O 3.18Å |
| 2234 | Y | 84.2 | Confident | 79.3 | Confident | 26.3333 Ų | 26.3333 | 51.2 Ų | 51.2 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.9 | 174.3 | -71 | -93.2 | 0 | 0 | 0 | 109.9 | V2198 G2199 S2221 V2222 I2224 H2232 L2241 E2242 L2243 | V2198-Y2234 HydrophobicContact CG1-CD2 4.04Å; V2198-Y2234 HydrophobicContact CG1-CE1 4.31Å; V2198-Y2234 HydrophobicContact CG1-CE2 3.36Å; V2198-Y2234 VanDerWaalsContact CG1-CE2 3.45Å; V2198-Y2234 VanDerWaalsContact CG1-CZ 3.45Å; G2199-Y2234 PolarHBondContact N-OH 3.14Å; G2199-Y2234 VanDerWaalsContact N-OH 3.07Å; S2221-Y2234 CarbonylContact C-O 3.54Å; S2221-Y2234 VanDerWaalsContact CA-O 3.27Å; S2221-Y2234 WeakPolarHBondContact CA-O 3.33Å; V2222-Y2234 PolarHBondContact N-O 3.09Å; V2222-Y2234 PolarHBondContact O-N 2.93Å; I2224-Y2234 HydrophobicContact CD1-CD2 3.86Å; I2224-Y2234 HydrophobicContact CD1-CE2 4Å; I2224-Y2234 HydrophobicContact CG1-CD2 4.49Å; H2232-Y2234 HydrophobicContact CB-CD2 4.23Å; H2232-Y2234 HydrophobicContact CB-CE2 3.72Å; Y2234-L2241 HydrophobicContact CD1-CD2 4.27Å; Y2234-L2241 HydrophobicContact CD1-CG 4.45Å; Y2234-L2241 HydrophobicContact CG-CD2 4.28Å; Y2234-E2242 CarbonylContact C-O 3.52Å; Y2234-E2242 VanDerWaalsContact CA-O 3.28Å; Y2234-E2242 WeakPolarHBondContact CA-O 3.35Å; Y2234-L2243 HydrophobicContact CD1-CB 3.99Å; Y2234-L2243 HydrophobicContact CD1-CD1 4.25Å; Y2234-L2243 HydrophobicContact CD2-CD1 4.1Å; Y2234-L2243 HydrophobicContact CE1-CB 3.67Å; Y2234-L2243 HydrophobicContact CE1-CD1 3.91Å; Y2234-L2243 HydrophobicContact CE1-CG 4.29Å; Y2234-L2243 HydrophobicContact CE2-CD1 3.72Å; Y2234-L2243 HydrophobicContact CG-CD1 4.35Å |
| 2235 | A | 80.9 | Confident | 79.1 | Confident | 2.66667 Ų | 2.66667 | 53.1 Ų | 53.1 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2220 I2237 L2241 E2242 K2244 | I2220-A2235 CarbonylContact O-C 3.52Å; I2220-A2235 WeakPolarHBondContact O-CA 3.36Å; A2235-I2237 HydrophobicContact CB-CD1 4.37Å; A2235-I2237 HydrophobicContact CB-CG1 4.21Å; A2235-I2237 PolarHBondContact O-N 3.15Å; A2235-L2241 WeakPolarHBondContact O-CA 3.25Å; A2235-E2242 PolarHBondContact N-O 3.23Å; A2235-E2242 PolarHBondContact O-N 3.24Å; A2235-K2244 HydrophobicContact CB-CB 4.41Å; A2235-K2244 HydrophobicContact CB-CD 4.09Å; A2235-K2244 VanDerWaalsContact CB-CE 3.44Å; A2235-K2244 HydrophobicContact CB-CG 3.82Å |
| 2236 | V | 76.6 | Confident | 78.9 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 110.5 | 167.8 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | L2179 I2220 K2240 L2241 | L2179-V2236 HydrophobicContact CD2-CG2 4.03Å; I2220-V2236 HydrophobicContact CB-CB 4.39Å; I2220-V2236 HydrophobicContact CB-CG2 4Å; I2220-V2236 HydrophobicContact CG2-CG2 4.44Å; I2220-V2236 PolarHBondContact N-O 3.4Å; I2220-V2236 VanDerWaalsContact N-O 3.15Å; I2220-V2236 PolarHBondContact O-N 3.17Å; V2236-K2240 CarbonylContact C-O 3.55Å; V2236-K2240 VanDerWaalsContact CA-O 3.32Å; V2236-K2240 WeakPolarHBondContact CA-O 3.38Å; V2236-L2241 HydrophobicContact CB-CD1 4.36Å; V2236-L2241 HydrophobicContact CG2-CB 4.3Å; V2236-L2241 HydrophobicContact CG2-CD1 3.43Å; V2236-L2241 HydrophobicContact CG2-CG 4.49Å |
| 2237 | I | 68.6 | Low | 78.9 | Confident | 68.3333 Ų | 68.3333 | 58.7 Ų | 58.7 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126 | 175.9 | -54.4 | 175 | 0 | 0 | 0 | 106.6 | A2235 K2239 K2240 | A2235-I2237 HydrophobicContact CB-CD1 4.37Å; A2235-I2237 HydrophobicContact CB-CG1 4.21Å; A2235-I2237 PolarHBondContact O-N 3.15Å; I2237-K2239 VanDerWaalsContact C-N 3.33Å; I2237-K2239 PolarHBondContact O-N 3.04Å; I2237-K2240 PolarHBondContact N-O 3.13Å; I2237-K2240 PolarHBondContact O-N 2.91Å; I2237-K2240 VanDerWaalsContact O-O 3.07Å |
| 2238 | D | 66.8 | Low | 78.7 | Confident | 140.667 Ų | 140.667 | 63.1 Ų | 63.1 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 46.5 | 177.9 | -64 | -21.3 | 0 | 0 | 0 | 115.2 | K2240 | D2238-K2240 PolarHBondContact O-N 3.19Å; D2238-K2240 VanDerWaalsContact O-N 3.11Å |
| 2239 | K | 66.4 | Low | 78.1 | Confident | 181.333 Ų | 181.333 | 59.1 Ų | 59.1 | 79% | 0.788 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 14.8 | -177.7 | -51.9 | 178.5 | 179.6 | 177.2 | 0 | 114.7 | H2193 I2237 | H2193-K2239 PolarHBondContact CE1-O 3.29Å; H2193-K2239 PolarHBondContact NE2-O 3.03Å; I2237-K2239 VanDerWaalsContact C-N 3.33Å; I2237-K2239 PolarHBondContact O-N 3.04Å |
| 2240 | K | 67.7 | Low | 77.7 | Confident | 141.667 Ų | 141.667 | 57.5 Ų | 57.5 | 62% | 0.616 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.2 | 169.7 | -67.7 | -176.5 | 179.9 | 178.6 | 0 | 109.3 | V2236 I2237 D2238 E2242 | V2236-K2240 CarbonylContact C-O 3.55Å; V2236-K2240 VanDerWaalsContact CA-O 3.32Å; V2236-K2240 WeakPolarHBondContact CA-O 3.38Å; I2237-K2240 PolarHBondContact N-O 3.13Å; I2237-K2240 PolarHBondContact O-N 2.91Å; I2237-K2240 VanDerWaalsContact O-O 3.07Å; D2238-K2240 PolarHBondContact O-N 3.19Å; D2238-K2240 VanDerWaalsContact O-N 3.11Å; K2240-E2242 HydrophobicContact CB-CG 4.29Å |
| 2241 | L | 72.8 | Confident | 77.2 | Confident | 34.3333 Ų | 34.3333 | 63.8 Ų | 63.8 | 18% | 0.18 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.6 | 173.7 | -171.8 | 82.2 | 0 | 0 | 0 | 108.1 | L2177 I2195 V2222 Y2234 A2235 V2236 | L2177-L2241 HydrophobicContact CD2-CD2 3.99Å; I2195-L2241 HydrophobicContact CB-CD2 4.43Å; I2195-L2241 HydrophobicContact CD1-CB 3.69Å; I2195-L2241 HydrophobicContact CD1-CD1 3.57Å; I2195-L2241 HydrophobicContact CD1-CD2 3.3Å; I2195-L2241 VanDerWaalsContact CD1-CD2 3.44Å; I2195-L2241 HydrophobicContact CD1-CG 3.84Å; I2195-L2241 HydrophobicContact CG1-CD2 3.92Å; I2195-L2241 HydrophobicContact CG2-CD2 3.76Å; V2222-L2241 HydrophobicContact CG2-CD1 4.48Å; Y2234-L2241 HydrophobicContact CD1-CD2 4.27Å; Y2234-L2241 HydrophobicContact CD1-CG 4.45Å; Y2234-L2241 HydrophobicContact CG-CD2 4.28Å; A2235-L2241 WeakPolarHBondContact O-CA 3.25Å; V2236-L2241 HydrophobicContact CB-CD1 4.36Å; V2236-L2241 HydrophobicContact CG2-CB 4.3Å; V2236-L2241 HydrophobicContact CG2-CD1 3.43Å; V2236-L2241 HydrophobicContact CG2-CG 4.49Å |
| 2242 | E | 78.2 | Confident | 76.8 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.3 | -179.6 | -65.3 | -175.8 | 174.5 | 0 | 0 | 110.7 | Y2234 A2235 K2240 K2244 | Y2234-E2242 CarbonylContact C-O 3.52Å; Y2234-E2242 VanDerWaalsContact CA-O 3.28Å; Y2234-E2242 WeakPolarHBondContact CA-O 3.35Å; A2235-E2242 PolarHBondContact N-O 3.23Å; A2235-E2242 PolarHBondContact O-N 3.24Å; K2240-E2242 HydrophobicContact CB-CG 4.29Å; E2242-K2244 PolarHBondContact O-N 3.19Å |
| 2243 | L | 79.5 | Confident | 76.5 | Confident | 86.6667 Ų | 86.6667 | 66.3 Ų | 66.3 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 109.7 | 171.7 | 177.1 | 65.5 | 0 | 0 | 0 | 108.5 | H2232 Y2234 Q2245 T2246 | H2232-L2243 HydrophobicContact CB-CD1 4.08Å; Y2234-L2243 HydrophobicContact CD1-CB 3.99Å; Y2234-L2243 HydrophobicContact CD1-CD1 4.25Å; Y2234-L2243 HydrophobicContact CD2-CD1 4.1Å; Y2234-L2243 HydrophobicContact CE1-CB 3.67Å; Y2234-L2243 HydrophobicContact CE1-CD1 3.91Å; Y2234-L2243 HydrophobicContact CE1-CG 4.29Å; Y2234-L2243 HydrophobicContact CE2-CD1 3.72Å; Y2234-L2243 HydrophobicContact CG-CD1 4.35Å; L2243-Q2245 WeakPolarHBondContact CD1-O 3.41Å; L2243-T2246 HydrophobicContact CD1-CG2 3.92Å; L2243-T2246 HydrophobicContact CD2-CG2 3.84Å; L2243-T2246 HydrophobicContact CG-CG2 4.23Å |
| 2244 | K | 79.1 | Confident | 76.2 | Confident | 67.6667 Ų | 67.6667 | 66.3 Ų | 66.3 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -47.6 | -178.8 | -137.4 | -170.1 | 176.3 | -179.9 | 0 | 111.7 | N2233 A2235 E2242 Y2281 G2282 V2283 | N2233-K2244 PolarHBondContact O-N 3.02Å; A2235-K2244 HydrophobicContact CB-CB 4.41Å; A2235-K2244 HydrophobicContact CB-CD 4.09Å; A2235-K2244 VanDerWaalsContact CB-CE 3.44Å; A2235-K2244 HydrophobicContact CB-CG 3.82Å; E2242-K2244 PolarHBondContact O-N 3.19Å; K2244-Y2281 PolarHBondContact NZ-O 2.98Å; K2244-G2282 PolarHBondContact NZ-O 3.2Å; K2244-V2283 HydrophobicContact CD-CG2 4.44Å |
| 2245 | Q | 81.7 | Confident | 75.9 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 19% | 0.192 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.6 | -170.5 | -61 | -177.3 | -52.9 | 0 | 0 | 112.1 | H2232 N2233 L2243 F2247 V2283 L2284 | H2232-Q2245 WeakPolarHBondContact CA-O 3.16Å; N2233-Q2245 HydrophobicContact CB-CB 4.36Å; N2233-Q2245 PolarHBondContact N-O 3.29Å; N2233-Q2245 PolarHBondContact O-N 3.12Å; L2243-Q2245 WeakPolarHBondContact CD1-O 3.41Å; Q2245-F2247 HydrophobicContact CB-CD2 4.18Å; Q2245-F2247 HydrophobicContact CB-CE2 3.47Å; Q2245-F2247 VanDerWaalsContact CB-CE2 3.43Å; Q2245-F2247 HydrophobicContact CB-CZ 3.82Å; Q2245-F2247 VanDerWaalsContact CD-CE2 3.41Å; Q2245-F2247 VanDerWaalsContact CD-CZ 3.49Å; Q2245-F2247 HydrophobicContact CG-CE2 4.14Å; Q2245-F2247 HydrophobicContact CG-CZ 4.1Å; Q2245-F2247 VanDerWaalsContact OE1-CZ 3.26Å; Q2245-V2283 VanDerWaalsContact CD-CG1 3.48Å; Q2245-L2284 VanDerWaalsContact OE1-N 3.16Å |
| 2246 | T | 83.2 | Confident | 75.6 | Confident | 66.6667 Ų | 66.6667 | 71.7 Ų | 71.7 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.7 | 170.3 | -31 | 0 | 0 | 0 | 0 | 108.9 | L2230 L2231 H2232 L2243 | L2230-T2246 HydrophobicContact CB-CG2 4.17Å; L2230-T2246 HydrophobicContact CD1-CG2 4.18Å; L2230-T2246 HydrophobicContact CD2-CG2 4.11Å; L2230-T2246 HydrophobicContact CG-CG2 4.4Å; L2231-T2246 CarbonylContact O-C 3.56Å; L2231-T2246 VanDerWaalsContact O-CA 3.32Å; L2231-T2246 WeakPolarHBondContact O-CA 3.4Å; H2232-T2246 VanDerWaalsContact CE1-CG2 3.44Å; H2232-T2246 WeakPolarHBondContact CE1-CG2 3.42Å; H2232-T2246 VanDerWaalsContact ND1-CG2 3.34Å; H2232-T2246 WeakPolarHBondContact ND1-CG2 3.44Å; H2232-T2246 PolarHBondContact ND1-OG1 3.22Å; L2243-T2246 HydrophobicContact CD1-CG2 3.92Å; L2243-T2246 HydrophobicContact CD2-CG2 3.84Å; L2243-T2246 HydrophobicContact CG-CG2 4.23Å |
| 2247 | F | 82.3 | Confident | 75.9 | Confident | 49.6667 Ų | 49.6667 | 71.2 Ų | 71.2 | 22% | 0.218 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.3 | -176.7 | -61 | -74.2 | 0 | 0 | 0 | 111.9 | L2230 L2231 Q2245 A2249 W2276 L2284 | L2230-F2247 CarbonylContact C-O 3.57Å; L2230-F2247 WeakPolarHBondContact CA-O 3.24Å; L2231-F2247 HydrophobicContact CB-CB 4.46Å; L2231-F2247 PolarHBondContact N-O 3.21Å; L2231-F2247 PolarHBondContact O-N 3.05Å; Q2245-F2247 HydrophobicContact CB-CD2 4.18Å; Q2245-F2247 HydrophobicContact CB-CE2 3.47Å; Q2245-F2247 VanDerWaalsContact CB-CE2 3.43Å; Q2245-F2247 HydrophobicContact CB-CZ 3.82Å; Q2245-F2247 VanDerWaalsContact CD-CE2 3.41Å; Q2245-F2247 VanDerWaalsContact CD-CZ 3.49Å; Q2245-F2247 HydrophobicContact CG-CE2 4.14Å; Q2245-F2247 HydrophobicContact CG-CZ 4.1Å; Q2245-F2247 VanDerWaalsContact OE1-CZ 3.26Å; F2247-A2249 PolarHBondContact O-N 2.91Å; F2247-A2249 VanDerWaalsContact O-N 3.16Å; F2247-W2276 HydrophobicContact CB-CH2 3.95Å; F2247-W2276 HydrophobicContact CB-CZ3 4.07Å; F2247-W2276 HydrophobicContact CD1-CH2 4.46Å; F2247-W2276 AromaticContact CD1-CZ3 3.89Å; F2247-W2276 HydrophobicContact CD1-CZ3 4.05Å; F2247-W2276 HydrophobicContact CD2-CZ3 4.28Å; F2247-W2276 HydrophobicContact CE1-CZ3 4.4Å; F2247-W2276 HydrophobicContact CG-CH2 4.27Å; F2247-W2276 AromaticContact CG-CZ3 3.89Å; F2247-W2276 HydrophobicContact CG-CZ3 3.89Å; F2247-L2284 HydrophobicContact CD2-CB 4.5Å; F2247-L2284 HydrophobicContact CE2-CB 3.87Å; F2247-L2284 HydrophobicContact CE2-CD1 4.33Å; F2247-L2284 HydrophobicContact CZ-CB 4.16Å; F2247-L2284 WeakPolarHBondContact CZ-O 3.4Å |
| 2248 | H | 76.9 | Confident | 76.4 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 62% | 0.62 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 92.9 | 162.4 | -80.9 | -71.4 | 0 | 0 | 0 | 109.4 | L2230 R2289 | L2230-H2248 WeakPolarHBondContact CD2-CE1 3.23Å; L2230-H2248 WeakPolarHBondContact CD2-ND1 3.39Å; H2248-R2289 PolarHBondContact O-NH2 3.24Å; H2248-R2289 VanDerWaalsContact O-NH2 3.09Å |
| 2249 | A | 71.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -78.5 | -52.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N2229 L2231 F2247 I2254 A2266 W2276 R2289 | N2229-A2249 PolarHBondContact O-N 3.1Å; L2231-A2249 HydrophobicContact CB-CB 3.84Å; L2231-A2249 HydrophobicContact CD2-CB 4.29Å; F2247-A2249 PolarHBondContact O-N 2.91Å; F2247-A2249 VanDerWaalsContact O-N 3.16Å; A2249-I2254 HydrophobicContact CB-CD1 3.7Å; A2249-I2254 HydrophobicContact CB-CG1 4.38Å; A2249-A2266 HydrophobicContact CB-CB 4.5Å; A2249-W2276 VanDerWaalsContact CA-CZ2 3.48Å; A2249-W2276 HydrophobicContact CB-CH2 4.41Å; A2249-W2276 HydrophobicContact CB-CZ2 3.66Å; A2249-R2289 PolarHBondContact O-NE 3.03Å; A2249-R2289 PolarHBondContact O-NH2 3.41Å; A2249-R2289 VanDerWaalsContact O-NH2 3.11Å | ||
| 2250 | N | 71.9 | Confident | 76.7 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | trans | -125.7 | 165.6 | -176 | -66.4 | 40.5 | 0 | 0 | 0 | 110 | N2229 S2252 I2254 A2266 S2268 E2272 S2274 | N2229-N2250 WeakPolarHBondContact CB-O 3.42Å; N2250-S2252 VanDerWaalsContact C-N 3.29Å; N2250-S2252 WeakPolarHBondContact CB-O 3.38Å; N2250-I2254 HydrophobicContact CB-CG1 4.49Å; N2250-A2266 PolarHBondContact ND2-O 3.37Å; N2250-A2266 VanDerWaalsContact ND2-O 3.13Å; N2250-A2266 PolarHBondContact OD1-O 2.96Å; N2250-S2268 WeakPolarHBondContact ND2-CB 3.22Å; N2250-S2268 PolarHBondContact ND2-N 3.45Å; N2250-S2268 PolarHBondContact ND2-OG 3Å; N2250-E2272 PolarHBondContact ND2-O 3.02Å; N2250-S2274 WeakPolarHBondContact OD1-CB 3.28Å; N2250-S2274 PolarHBondContact OD1-OG 3.06Å | ||
| 2251 | K | 74.2 | Confident | 76.6 | Confident | 156.667 Ų | 156.667 | 52.8 Ų | 52.8 | 68% | 0.681 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -76.7 | -17.2 | 175.6 | -69.1 | 176.6 | -174.6 | 177.7 | 0 | 113.6 | N2229 E2272 | N2229-K2251 PolarHBondContact ND2-O 3.03Å; K2251-E2272 WeakPolarHBondContact CB-OE2 3.28Å; K2251-E2272 WeakPolarHBondContact CG-OE2 3.36Å; K2251-E2272 PolarHBondContact N-OE2 3.1Å |
| 2252 | S | 78 | Confident | 76.3 | Confident | 21 Ų | 21 | 53 Ų | 53 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -133 | 168.5 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | N2229 N2250 I2254 S2268 D2270 | N2229-S2252 VanDerWaalsContact CG-C 3.46Å; N2229-S2252 WeakPolarHBondContact OD1-CA 3.36Å; N2250-S2252 VanDerWaalsContact C-N 3.29Å; N2250-S2252 WeakPolarHBondContact CB-O 3.38Å; S2252-I2254 PolarHBondContact O-N 3.08Å; S2252-S2268 WeakPolarHBondContact O-CB 3.34Å; S2252-S2268 WeakPolarHBondContact OG-CB 3.42Å; S2252-S2268 PolarHBondContact OG-OG 3.26Å; S2252-D2270 WeakPolarHBondContact CB-OD2 3.39Å; S2252-D2270 PolarHBondContact OG-OD1 2.91Å; S2252-D2270 VanDerWaalsContact OG-OD1 3.08Å; S2252-D2270 PolarHBondContact OG-OD2 3.22Å |
| 2253 | P | 79.3 | Confident | 76 | Confident | 37.3333 Ų | 37.3333 | 48.4 Ų | 48.4 | 24% | 0.242 | 23% | 0.234 | C | C | . | . | trans | -62.1 | 135.7 | -169.5 | -27 | 35.5 | 0 | 0 | 0 | 112.1 | T2204 N2229 K2255 S2268 | T2204-P2253 HydrophobicContact CG2-CB 4.28Å; N2229-P2253 VanDerWaalsContact OD1-CA 3.29Å; N2229-P2253 WeakPolarHBondContact OD1-CA 3.27Å; N2229-P2253 WeakPolarHBondContact OD1-CD 3.32Å; N2229-P2253 VanDerWaalsContact OD1-CG 3.25Å; N2229-P2253 WeakPolarHBondContact OD1-CG 3.25Å; P2253-K2255 PolarHBondContact O-N 3.19Å; P2253-S2268 WeakPolarHBondContact O-CA 3.33Å; P2253-S2268 WeakPolarHBondContact O-CB 3.36Å | ||
| 2254 | I | 80.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.1 | -179.1 | -50.2 | 169.1 | 0 | 0 | 0 | 108.2 | T2204 S2205 L2231 A2249 N2250 S2252 M2257 A2266 A2267 | T2204-I2254 CarbonylContact C-O 3.53Å; T2204-I2254 VanDerWaalsContact CB-O 3.25Å; T2204-I2254 WeakPolarHBondContact CB-O 3.37Å; T2204-I2254 PolarHBondContact OG1-O 3.03Å; S2205-I2254 VanDerWaalsContact CB-O 3.28Å; S2205-I2254 WeakPolarHBondContact CB-O 3.37Å; S2205-I2254 WeakPolarHBondContact OG-CB 3.3Å; S2205-I2254 VanDerWaalsContact OG-CG2 3.29Å; S2205-I2254 WeakPolarHBondContact OG-CG2 3.43Å; S2205-I2254 PolarHBondContact OG-O 3.19Å; L2231-I2254 HydrophobicContact CB-CD1 3.8Å; L2231-I2254 HydrophobicContact CD1-CD1 4.2Å; L2231-I2254 HydrophobicContact CG-CD1 4.46Å; A2249-I2254 HydrophobicContact CB-CD1 3.7Å; A2249-I2254 HydrophobicContact CB-CG1 4.38Å; N2250-I2254 HydrophobicContact CB-CG1 4.49Å; S2252-I2254 PolarHBondContact O-N 3.08Å; I2254-M2257 HydrophobicContact CG2-CG 3.7Å; I2254-M2257 HydrophobicContact CG2-SD 4.31Å; I2254-A2266 HydrophobicContact CD1-CB 4.35Å; I2254-A2266 HydrophobicContact CG2-CB 3.83Å; I2254-A2267 CarbonylContact C-O 3.5Å; I2254-A2267 WeakPolarHBondContact CA-O 3.41Å; I2254-A2267 WeakPolarHBondContact CG2-O 3.2Å |
| 2255 | K | 77.5 | Confident | 76.2 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -27.9 | -178.9 | -69.8 | -63.2 | -170 | 174.8 | 0 | 113.5 | P2253 A2267 D2269 | P2253-K2255 PolarHBondContact O-N 3.19Å; K2255-A2267 PolarHBondContact N-O 2.9Å; K2255-D2269 WeakPolarHBondContact CE-OD2 3.38Å; K2255-D2269 VanDerWaalsContact CG-OD1 3.27Å; K2255-D2269 WeakPolarHBondContact CG-OD1 3.36Å; K2255-D2269 WeakPolarHBondContact CG-OD2 3.27Å; K2255-D2269 IonicContact NZ-OD2 3.42Å |
| 2256 | F | 76 | Confident | 76.2 | Confident | 52.3333 Ų | 52.3333 | 39.5 Ų | 39.5 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.6 | -177.1 | -137.9 | -91.9 | 0 | 0 | 0 | 110.2 | E2258 A2267 F2316 F2317 M2318 F2319 | F2256-E2258 HydrophobicContact CD1-CB 4.24Å; F2256-E2258 HydrophobicContact CE1-CB 3.67Å; F2256-E2258 VanDerWaalsContact CE1-CB 3.44Å; F2256-E2258 HydrophobicContact CE1-CG 4.29Å; F2256-E2258 WeakPolarHBondContact CE1-OE2 3.22Å; F2256-E2258 HydrophobicContact CZ-CB 4.12Å; F2256-E2258 VanDerWaalsContact CZ-OE2 3.31Å; F2256-E2258 WeakPolarHBondContact CZ-OE2 3.39Å; F2256-A2267 HydrophobicContact CB-CB 4.38Å; F2256-A2267 PolarHBondContact N-O 2.93Å; F2256-A2267 PolarHBondContact O-N 3.26Å; F2256-F2316 WeakPolarHBondContact CE2-O 3.47Å; F2256-F2316 WeakPolarHBondContact CZ-O 3.13Å; F2256-F2317 HydrophobicContact CB-CB 4.2Å; F2256-F2317 WeakPolarHBondContact CD2-O 3.36Å; F2256-F2317 AromaticContact CE1-CD1 3.93Å; F2256-F2317 HydrophobicContact CE1-CD1 3.93Å; F2256-F2317 WeakPolarHBondContact CG-O 3.39Å; F2256-F2317 AromaticContact CZ-CD1 3.64Å; F2256-F2317 HydrophobicContact CZ-CD1 3.64Å; F2256-F2317 HydrophobicContact CZ-CE1 4.17Å; F2256-F2317 HydrophobicContact CZ-CG 4.36Å; F2256-M2318 HydrophobicContact CB-CB 4.28Å; F2256-M2318 HydrophobicContact CB-CE 4.11Å; F2256-M2318 HydrophobicContact CD1-CB 3.56Å; F2256-M2318 HydrophobicContact CD1-CG 4.36Å; F2256-M2318 HydrophobicContact CD1-SD 4.44Å; F2256-M2318 HydrophobicContact CE1-CB 3.77Å; F2256-M2318 HydrophobicContact CE1-CG 4.35Å; F2256-M2318 WeakPolarHBondContact CE1-O 3.25Å; F2256-M2318 HydrophobicContact CG-CB 4.34Å; F2256-M2318 WeakPolarHBondContact CZ-O 3.43Å; F2256-F2319 AromaticContact CD1-CD2 3.37Å; F2256-F2319 HydrophobicContact CD1-CD2 3.37Å; F2256-F2319 AromaticContact CD1-CE2 3.75Å; F2256-F2319 HydrophobicContact CD1-CE2 3.75Å; F2256-F2319 HydrophobicContact CD1-CG 4.37Å; F2256-F2319 HydrophobicContact CE1-CB 4.1Å; F2256-F2319 AromaticContact CE1-CD2 3.5Å; F2256-F2319 HydrophobicContact CE1-CD2 3.5Å; F2256-F2319 HydrophobicContact CE1-CE2 4.34Å; F2256-F2319 HydrophobicContact CE1-CG 4.17Å; F2256-F2319 VanDerWaalsContact CE1-N 3.33Å |
| 2257 | M | 82.4 | Confident | 76.1 | Confident | 9.66667 Ų | 9.66667 | 36.4 Ų | 36.4 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.9 | 174.9 | -71.1 | -172.5 | -64.5 | 0 | 0 | 109.5 | S2205 F2206 Y2207 Y2223 L2231 I2254 L2264 L2265 A2266 | S2205-M2257 VanDerWaalsContact C-CE 3.44Å; S2205-M2257 WeakPolarHBondContact O-CE 3.26Å; S2205-M2257 VanDerWaalsContact OG-CE 3.31Å; S2205-M2257 WeakPolarHBondContact OG-CE 3.39Å; F2206-M2257 VanDerWaalsContact N-CE 3.31Å; Y2207-M2257 VanDerWaalsContact CD2-O 3.29Å; Y2207-M2257 WeakPolarHBondContact CD2-O 3.4Å; Y2223-M2257 VanDerWaalsContact O-CE 3.26Å; Y2223-M2257 WeakPolarHBondContact O-CE 3.27Å; L2231-M2257 HydrophobicContact CD1-CE 4.45Å; L2231-M2257 HydrophobicContact CD1-SD 3.36Å; L2231-M2257 WeakPolarHBondContact CD1-SD 3.19Å; I2254-M2257 HydrophobicContact CG2-CG 3.7Å; I2254-M2257 HydrophobicContact CG2-SD 4.31Å; M2257-L2264 HydrophobicContact CB-CD1 4.46Å; M2257-L2265 VanDerWaalsContact CA-O 3.24Å; M2257-L2265 WeakPolarHBondContact CA-O 3.41Å; M2257-A2266 HydrophobicContact CG-CB 4.24Å |
| 2258 | E | 78.9 | Confident | 75.9 | Confident | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144.8 | 180 | -169.6 | 137.3 | -171.9 | 0 | 0 | 110.6 | Y2207 F2256 L2265 M2318 F2319 Y2320 | Y2207-E2258 HydrophobicContact CE2-CG 4.43Å; F2256-E2258 HydrophobicContact CD1-CB 4.24Å; F2256-E2258 HydrophobicContact CE1-CB 3.67Å; F2256-E2258 VanDerWaalsContact CE1-CB 3.44Å; F2256-E2258 HydrophobicContact CE1-CG 4.29Å; F2256-E2258 WeakPolarHBondContact CE1-OE2 3.22Å; F2256-E2258 HydrophobicContact CZ-CB 4.12Å; F2256-E2258 VanDerWaalsContact CZ-OE2 3.31Å; F2256-E2258 WeakPolarHBondContact CZ-OE2 3.39Å; E2258-L2265 PolarHBondContact N-O 3Å; E2258-L2265 VanDerWaalsContact N-O 3.09Å; E2258-L2265 PolarHBondContact O-N 3.11Å; E2258-M2318 HydrophobicContact CB-CE 4.23Å; E2258-F2319 HydrophobicContact CB-CB 3.69Å; E2258-F2319 HydrophobicContact CB-CD2 3.88Å; E2258-F2319 HydrophobicContact CB-CG 4.19Å; E2258-F2319 VanDerWaalsContact CD-O 3.3Å; E2258-F2319 HydrophobicContact CG-CB 4.09Å; E2258-F2319 VanDerWaalsContact OE2-C 3.24Å; E2258-F2319 WeakPolarHBondContact OE2-CA 3.36Å; E2258-F2319 WeakPolarHBondContact OE2-CB 3.45Å; E2258-F2319 PolarHBondContact OE2-N 3.02Å; E2258-Y2320 WeakPolarHBondContact OE1-CB 3.44Å; E2258-Y2320 PolarHBondContact OE1-N 3.46Å; E2258-Y2320 PolarHBondContact OE2-N 3.3Å |
| 2259 | R | 74.1 | Confident | 75.7 | Confident | 66.6667 Ų | 66.6667 | 30.8 Ų | 30.8 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.1 | 176.9 | -179.6 | -166 | 166.7 | 125.9 | 3 | 110.7 | Y2207 L2209 R2210 S2261 H2263 H2278 | Y2207-R2259 HydrophobicContact CE1-CB 3.81Å; Y2207-R2259 HydrophobicContact CE2-CB 4.33Å; Y2207-R2259 VanDerWaalsContact OH-CB 3.31Å; Y2207-R2259 WeakPolarHBondContact OH-CB 3.42Å; Y2207-R2259 PolarHBondContact OH-N 2.9Å; L2209-R2259 HydrophobicContact CD1-CB 3.86Å; L2209-R2259 HydrophobicContact CD1-CG 3.99Å; R2210-R2259 PolarHBondContact O-NH1 3.49Å; R2259-S2261 PolarHBondContact NE-O 2.88Å; R2259-S2261 PolarHBondContact NH2-O 3.14Å; R2259-H2263 CarbonylContact C-O 3.53Å; R2259-H2263 WeakPolarHBondContact CA-O 3.37Å; R2259-H2263 WeakPolarHBondContact CG-O 3.16Å; R2259-H2278 VanDerWaalsContact CZ-CE1 3.5Å; R2259-H2278 PolarHBondContact NH1-NE2 3.41Å; R2259-H2278 PolarHBondContact NH2-NE2 3.26Å |
| 2260 | V | 65 | Low | 75.6 | Confident | 5.33333 Ų | 5.33333 | 33.7 Ų | 33.7 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 110.5 | 173.2 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | N2262 H2263 L2265 Y2320 A2321 C2440 I2442 | V2260-N2262 PolarHBondContact O-N 3.21Å; V2260-N2262 VanDerWaalsContact O-N 3.1Å; V2260-H2263 PolarHBondContact N-O 3.06Å; V2260-H2263 WeakPolarHBondContact O-CA 3.36Å; V2260-H2263 PolarHBondContact O-N 3.4Å; V2260-H2263 VanDerWaalsContact O-O 3.08Å; V2260-L2265 HydrophobicContact CB-CD1 4.37Å; V2260-L2265 HydrophobicContact CG2-CD1 3.62Å; V2260-L2265 VanDerWaalsContact CG2-CD1 3.5Å; V2260-L2265 HydrophobicContact CG2-CG 4.21Å; V2260-Y2320 HydrophobicContact CB-CD2 4.15Å; V2260-Y2320 HydrophobicContact CB-CE2 4.25Å; V2260-Y2320 HydrophobicContact CG1-CD2 3.94Å; V2260-Y2320 HydrophobicContact CG1-CE2 3.69Å; V2260-Y2320 HydrophobicContact CG2-CD2 3.53Å; V2260-Y2320 VanDerWaalsContact CG2-CD2 3.45Å; V2260-Y2320 HydrophobicContact CG2-CE2 4.12Å; V2260-Y2320 HydrophobicContact CG2-CG 4.1Å; V2260-A2321 HydrophobicContact CG1-CB 4.07Å; V2260-A2321 HydrophobicContact CG2-CB 4.32Å; V2260-C2440 HydrophobicContact CG1-CB 3.88Å; V2260-I2442 HydrophobicContact CG2-CD1 4.2Å; V2260-I2442 HydrophobicContact CG2-CG1 4.27Å |
| 2261 | S | 65.8 | Low | 75.4 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -115.6 | -176.6 | 149.5 | 0 | 0 | 0 | 0 | 111.2 | R2259 L2435 | R2259-S2261 PolarHBondContact NE-O 2.88Å; R2259-S2261 PolarHBondContact NH2-O 3.14Å; S2261-L2435 PolarHBondContact OG-O 3.46Å |
| 2262 | N | 66.5 | Low | 75.5 | Confident | 38.6667 Ų | 38.6667 | 26.8 Ų | 26.8 | 21% | 0.207 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 11.9 | 177.8 | -71 | -17.3 | 0 | 0 | 0 | 114.3 | V2260 K2277 H2278 D2433 Y2436 | V2260-N2262 PolarHBondContact O-N 3.21Å; V2260-N2262 VanDerWaalsContact O-N 3.1Å; N2262-K2277 WeakPolarHBondContact O-CA 3.25Å; N2262-H2278 VanDerWaalsContact C-ND1 3.25Å; N2262-H2278 VanDerWaalsContact CA-CE1 3.47Å; N2262-H2278 WeakPolarHBondContact CA-CE1 2.81Å; N2262-H2278 PolarHBondContact O-CD2 3.06Å; N2262-H2278 VanDerWaalsContact O-CD2 3.31Å; N2262-H2278 PolarHBondContact O-CE1 2.85Å; N2262-H2278 PolarHBondContact O-N 3.41Å; N2262-H2278 VanDerWaalsContact O-N 3.15Å; N2262-H2278 PolarHBondContact O-ND1 2.77Å; N2262-D2433 WeakPolarHBondContact ND2-CB 3.35Å; N2262-D2433 PolarHBondContact ND2-OD2 3.14Å; N2262-Y2436 HydrophobicContact CB-CE1 3.84Å; N2262-Y2436 WeakPolarHBondContact CB-OH 3.23Å; N2262-Y2436 PolarHBondContact ND2-OH 2.81Å |
| 2263 | H | 72.2 | Confident | 75.5 | Confident | 14.6667 Ų | 14.6667 | 25.9 Ų | 25.9 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.7 | 178.3 | -64.2 | 90.2 | 0 | 0 | 0 | 111.8 | R2259 V2260 W2276 K2277 Y2436 | R2259-H2263 CarbonylContact C-O 3.53Å; R2259-H2263 WeakPolarHBondContact CA-O 3.37Å; R2259-H2263 WeakPolarHBondContact CG-O 3.16Å; V2260-H2263 PolarHBondContact N-O 3.06Å; V2260-H2263 WeakPolarHBondContact O-CA 3.36Å; V2260-H2263 PolarHBondContact O-N 3.4Å; V2260-H2263 VanDerWaalsContact O-O 3.08Å; H2263-W2276 CarbonylContact C-O 3.41Å; H2263-W2276 VanDerWaalsContact CA-O 3.23Å; H2263-W2276 WeakPolarHBondContact CA-O 3.26Å; H2263-K2277 PolarHBondContact CD2-N 2.91Å; H2263-Y2436 AromaticContact CE1-CE1 3.63Å; H2263-Y2436 AromaticContact CE1-CZ 3.52Å; H2263-Y2436 PolarHBondContact CE1-OH 2.93Å; H2263-Y2436 AromaticContact ND1-CE1 3.63Å; H2263-Y2436 AromaticContact ND1-CZ 3.71Å; H2263-Y2436 PolarHBondContact ND1-OH 3.05Å |
| 2264 | L | 81.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 163.6 | -179.9 | 72.9 | 0 | 0 | 0 | 107.4 | Y2207 Y2223 L2231 M2257 W2276 L2284 | Y2207-L2264 HydrophobicContact CD1-CD1 4.13Å; Y2207-L2264 HydrophobicContact CG-CD1 4.33Å; Y2223-L2264 HydrophobicContact CD1-CD2 3.8Å; Y2223-L2264 HydrophobicContact CD2-CD1 4.49Å; Y2223-L2264 HydrophobicContact CD2-CD2 3.94Å; Y2223-L2264 HydrophobicContact CE1-CD2 4.16Å; Y2223-L2264 HydrophobicContact CE2-CD2 4.27Å; Y2223-L2264 HydrophobicContact CG-CD2 3.68Å; L2231-L2264 HydrophobicContact CD2-CD2 4.34Å; M2257-L2264 HydrophobicContact CB-CD1 4.46Å; L2264-W2276 HydrophobicContact CB-CB 4.38Å; L2264-W2276 PolarHBondContact N-O 3.2Å; L2264-W2276 WeakPolarHBondContact O-CB 3.2Å; L2264-W2276 PolarHBondContact O-N 3.1Å; L2264-L2284 HydrophobicContact CB-CD2 4.2Å; L2264-L2284 HydrophobicContact CD2-CD1 3.97Å; L2264-L2284 HydrophobicContact CD2-CD2 4.17Å |
| 2265 | L | 80.8 | Confident | 75.3 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.4 | 175.6 | -58.2 | 178.9 | 0 | 0 | 0 | 108.8 | M2257 E2258 V2260 V2273 S2274 A2275 M2318 F2319 I2442 | M2257-L2265 VanDerWaalsContact CA-O 3.24Å; M2257-L2265 WeakPolarHBondContact CA-O 3.41Å; E2258-L2265 PolarHBondContact N-O 3Å; E2258-L2265 VanDerWaalsContact N-O 3.09Å; E2258-L2265 PolarHBondContact O-N 3.11Å; V2260-L2265 HydrophobicContact CB-CD1 4.37Å; V2260-L2265 HydrophobicContact CG2-CD1 3.62Å; V2260-L2265 VanDerWaalsContact CG2-CD1 3.5Å; V2260-L2265 HydrophobicContact CG2-CG 4.21Å; L2265-V2273 HydrophobicContact CB-CG1 4.48Å; L2265-S2274 WeakPolarHBondContact CA-O 3.37Å; L2265-A2275 HydrophobicContact CD2-CB 3.52Å; L2265-A2275 VanDerWaalsContact CD2-CB 3.44Å; L2265-M2318 HydrophobicContact CB-CE 3.92Å; L2265-M2318 HydrophobicContact CB-SD 3.67Å; L2265-M2318 HydrophobicContact CD1-SD 3.84Å; L2265-M2318 HydrophobicContact CG-SD 4.43Å; L2265-M2318 WeakPolarHBondContact O-CE 3.36Å; L2265-F2319 HydrophobicContact CB-CD1 4.05Å; L2265-F2319 HydrophobicContact CB-CD2 3.83Å; L2265-F2319 HydrophobicContact CB-CE1 3.89Å; L2265-F2319 HydrophobicContact CB-CE2 3.7Å; L2265-F2319 HydrophobicContact CB-CG 4.05Å; L2265-F2319 HydrophobicContact CB-CZ 3.74Å; L2265-F2319 HydrophobicContact CD1-CB 4.35Å; L2265-F2319 HydrophobicContact CD1-CD1 3.3Å; L2265-F2319 HydrophobicContact CD1-CD2 4.45Å; L2265-F2319 HydrophobicContact CD1-CE1 3.61Å; L2265-F2319 HydrophobicContact CD1-CG 3.8Å; L2265-F2319 HydrophobicContact CD1-CZ 4.34Å; L2265-F2319 HydrophobicContact CG-CD1 4.3Å; L2265-F2319 HydrophobicContact CG-CE1 4.34Å; L2265-I2442 HydrophobicContact CD1-CD1 3.28Å; L2265-I2442 HydrophobicContact CD1-CG1 3.88Å; L2265-I2442 HydrophobicContact CD1-CG2 4.28Å |
| 2266 | A | 81.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A2249 N2250 I2254 M2257 V2273 S2274 | A2249-A2266 HydrophobicContact CB-CB 4.5Å; N2250-A2266 PolarHBondContact ND2-O 3.37Å; N2250-A2266 VanDerWaalsContact ND2-O 3.13Å; N2250-A2266 PolarHBondContact OD1-O 2.96Å; I2254-A2266 HydrophobicContact CD1-CB 4.35Å; I2254-A2266 HydrophobicContact CG2-CB 3.83Å; M2257-A2266 HydrophobicContact CG-CB 4.24Å; A2266-V2273 WeakPolarHBondContact O-CA 3.45Å; A2266-S2274 PolarHBondContact N-O 3.08Å; A2266-S2274 PolarHBondContact O-N 3.16Å; A2266-S2274 PolarHBondContact O-OG 3Å |
| 2267 | A | 81.3 | Confident | 75.2 | Confident | 2.33333 Ų | 2.33333 | 20.7 Ų | 20.7 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2254 K2255 F2256 E2272 V2273 F2316 F2317 M2318 F2319 | I2254-A2267 CarbonylContact C-O 3.5Å; I2254-A2267 WeakPolarHBondContact CA-O 3.41Å; I2254-A2267 WeakPolarHBondContact CG2-O 3.2Å; K2255-A2267 PolarHBondContact N-O 2.9Å; F2256-A2267 HydrophobicContact CB-CB 4.38Å; F2256-A2267 PolarHBondContact N-O 2.93Å; F2256-A2267 PolarHBondContact O-N 3.26Å; A2267-E2272 WeakPolarHBondContact CA-O 3.33Å; A2267-V2273 HydrophobicContact CB-CG2 4.02Å; A2267-F2316 HydrophobicContact CB-CD1 4.06Å; A2267-F2316 HydrophobicContact CB-CE1 3.59Å; A2267-F2317 HydrophobicContact CB-CB 3.74Å; A2267-F2317 HydrophobicContact CB-CD1 3.81Å; A2267-F2317 HydrophobicContact CB-CD2 3.78Å; A2267-F2317 HydrophobicContact CB-CE1 4.31Å; A2267-F2317 HydrophobicContact CB-CE2 4.29Å; A2267-F2317 HydrophobicContact CB-CG 3.5Å; A2267-F2317 VanDerWaalsContact CB-CG 3.5Å; A2267-F2317 HydrophobicContact CB-CZ 4.5Å; A2267-M2318 HydrophobicContact CB-CB 4.29Å; A2267-M2318 HydrophobicContact CB-CE 3.45Å; A2267-M2318 HydrophobicContact CB-SD 3.84Å; A2267-F2319 HydrophobicContact CB-CE2 3.81Å; A2267-F2319 HydrophobicContact CB-CZ 3.8Å |
| 2268 | S | 78.8 | Confident | 74.6 | Confident | 0.333333 Ų | 0.333333 | 20.9 Ų | 20.9 | 0% | 0.002 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 164.3 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | N2250 S2252 P2253 D2270 G2271 E2272 F2317 | N2250-S2268 WeakPolarHBondContact ND2-CB 3.22Å; N2250-S2268 PolarHBondContact ND2-N 3.45Å; N2250-S2268 PolarHBondContact ND2-OG 3Å; S2252-S2268 WeakPolarHBondContact O-CB 3.34Å; S2252-S2268 WeakPolarHBondContact OG-CB 3.42Å; S2252-S2268 PolarHBondContact OG-OG 3.26Å; P2253-S2268 WeakPolarHBondContact O-CA 3.33Å; P2253-S2268 WeakPolarHBondContact O-CB 3.36Å; S2268-D2270 WeakPolarHBondContact CB-OD1 3.3Å; S2268-D2270 PolarHBondContact O-N 3.01Å; S2268-D2270 VanDerWaalsContact O-N 3.1Å; S2268-D2270 PolarHBondContact OG-OD1 3.32Å; S2268-G2271 PolarHBondContact O-N 3.18Å; S2268-G2271 VanDerWaalsContact O-N 3.13Å; S2268-E2272 PolarHBondContact N-O 3.22Å; S2268-E2272 VanDerWaalsContact N-O 3.08Å; S2268-E2272 PolarHBondContact OG-O 3.17Å; S2268-F2317 WeakPolarHBondContact O-CE2 2.79Å |
| 2269 | D | 71.8 | Confident | 74 | Confident | 65 Ų | 65 | 20.9 Ų | 20.9 | 35% | 0.348 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.9 | -174 | -82.9 | -24 | 0 | 0 | 0 | 114.8 | K2255 G2271 L2313 S2315 F2316 | K2255-D2269 WeakPolarHBondContact CE-OD2 3.38Å; K2255-D2269 VanDerWaalsContact CG-OD1 3.27Å; K2255-D2269 WeakPolarHBondContact CG-OD1 3.36Å; K2255-D2269 WeakPolarHBondContact CG-OD2 3.27Å; K2255-D2269 IonicContact NZ-OD2 3.42Å; D2269-G2271 VanDerWaalsContact C-N 3.3Å; D2269-L2313 WeakPolarHBondContact O-CD2 3.48Å; D2269-S2315 VanDerWaalsContact CA-OG 3.29Å; D2269-S2315 WeakPolarHBondContact CA-OG 3.47Å; D2269-S2315 PolarHBondContact O-OG 3Å; D2269-S2315 PolarHBondContact OD1-OG 3.09Å; D2269-F2316 HydrophobicContact CB-CD2 4.5Å; D2269-F2316 WeakPolarHBondContact O-CE2 3.18Å |
| 2270 | D | 68.3 | Low | 73.5 | Confident | 62.3333 Ų | 62.3333 | 24.5 Ų | 24.5 | 33% | 0.333 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.5 | 176.2 | 58.4 | 3.4 | 0 | 0 | 0 | 113.7 | S2252 S2268 E2272 C2293 | S2252-D2270 WeakPolarHBondContact CB-OD2 3.39Å; S2252-D2270 PolarHBondContact OG-OD1 2.91Å; S2252-D2270 VanDerWaalsContact OG-OD1 3.08Å; S2252-D2270 PolarHBondContact OG-OD2 3.22Å; S2268-D2270 WeakPolarHBondContact CB-OD1 3.3Å; S2268-D2270 PolarHBondContact O-N 3.01Å; S2268-D2270 VanDerWaalsContact O-N 3.1Å; S2268-D2270 PolarHBondContact OG-OD1 3.32Å; D2270-E2272 VanDerWaalsContact C-N 3.3Å; D2270-E2272 WeakPolarHBondContact OD1-CB 3.34Å; D2270-E2272 PolarHBondContact OD1-N 3.19Å; D2270-C2293 WeakPolarHBondContact O-CB 3.4Å |
| 2271 | G | 69 | Low | 73.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 90.1 | 0.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S2268 D2269 V2292 C2293 F2316 | S2268-G2271 PolarHBondContact O-N 3.18Å; S2268-G2271 VanDerWaalsContact O-N 3.13Å; D2269-G2271 VanDerWaalsContact C-N 3.3Å; G2271-V2292 PolarHBondContact O-N 3.17Å; G2271-C2293 WeakPolarHBondContact CA-SG 3.43Å; G2271-F2316 VanDerWaalsContact N-CZ 3.34Å |
| 2272 | E | 75.4 | Confident | 73.4 | Confident | 16.6667 Ų | 16.6667 | 29.8 Ų | 29.8 | 8% | 0.078 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.9 | 173.7 | -167.2 | 177.3 | -154.6 | 0 | 0 | 109.9 | N2250 K2251 A2267 S2268 D2270 R2289 L2290 | N2250-E2272 PolarHBondContact ND2-O 3.02Å; K2251-E2272 WeakPolarHBondContact CB-OE2 3.28Å; K2251-E2272 WeakPolarHBondContact CG-OE2 3.36Å; K2251-E2272 PolarHBondContact N-OE2 3.1Å; A2267-E2272 WeakPolarHBondContact CA-O 3.33Å; S2268-E2272 PolarHBondContact N-O 3.22Å; S2268-E2272 VanDerWaalsContact N-O 3.08Å; S2268-E2272 PolarHBondContact OG-O 3.17Å; D2270-E2272 VanDerWaalsContact C-N 3.3Å; D2270-E2272 WeakPolarHBondContact OD1-CB 3.34Å; D2270-E2272 PolarHBondContact OD1-N 3.19Å; E2272-R2289 WeakPolarHBondContact OE1-CD 3.18Å; E2272-R2289 IonicContact OE1-CZ 2.82Å; E2272-R2289 IonicContact OE1-NE 2.89Å; E2272-R2289 IonicContact OE1-NH1 2.87Å; E2272-R2289 PolarHBondContact OE1-NH1 3.13Å; E2272-R2289 VanDerWaalsContact OE1-NH1 3.13Å; E2272-L2290 CarbonylContact C-O 3.55Å; E2272-L2290 WeakPolarHBondContact CA-O 3.48Å |
| 2273 | V | 77.3 | Confident | 73.7 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.8 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 108 | L2265 A2266 A2267 R2289 L2290 V2292 F2316 F2317 M2318 F2319 Y2444 | L2265-V2273 HydrophobicContact CB-CG1 4.48Å; A2266-V2273 WeakPolarHBondContact O-CA 3.45Å; A2267-V2273 HydrophobicContact CB-CG2 4.02Å; V2273-R2289 CarbonylContact O-C 3.56Å; V2273-R2289 WeakPolarHBondContact O-CA 3.32Å; V2273-L2290 HydrophobicContact CB-CB 4.25Å; V2273-L2290 PolarHBondContact N-O 3.11Å; V2273-L2290 PolarHBondContact O-N 3.16Å; V2273-V2292 HydrophobicContact CB-CG2 4.39Å; V2273-V2292 HydrophobicContact CG2-CG2 3.77Å; V2273-F2316 HydrophobicContact CG2-CE1 4.22Å; V2273-F2316 HydrophobicContact CG2-CZ 3.99Å; V2273-F2317 HydrophobicContact CG2-CD1 4.02Å; V2273-F2317 HydrophobicContact CG2-CE1 3.56Å; V2273-F2317 HydrophobicContact CG2-CZ 4.27Å; V2273-M2318 HydrophobicContact CB-CE 4.34Å; V2273-M2318 HydrophobicContact CG1-CE 3.65Å; V2273-M2318 HydrophobicContact CG1-SD 4.07Å; V2273-M2318 HydrophobicContact CG2-CE 3.78Å; V2273-F2319 HydrophobicContact CB-CZ 4.39Å; V2273-F2319 HydrophobicContact CG1-CE1 3.75Å; V2273-F2319 HydrophobicContact CG1-CZ 3.54Å; V2273-F2319 HydrophobicContact CG2-CE1 4.35Å; V2273-F2319 HydrophobicContact CG2-CZ 3.97Å; V2273-Y2444 WeakPolarHBondContact CG1-OH 3.03Å; V2273-Y2444 HydrophobicContact CG2-CD1 4.44Å; V2273-Y2444 HydrophobicContact CG2-CE1 3.55Å |
| 2274 | S | 78.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.4 | 172.9 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | N2250 L2265 A2266 W2276 | N2250-S2274 WeakPolarHBondContact OD1-CB 3.28Å; N2250-S2274 PolarHBondContact OD1-OG 3.06Å; L2265-S2274 WeakPolarHBondContact CA-O 3.37Å; A2266-S2274 PolarHBondContact N-O 3.08Å; A2266-S2274 PolarHBondContact O-N 3.16Å; A2266-S2274 PolarHBondContact O-OG 3Å; S2274-W2276 VanDerWaalsContact CB-NE1 3.32Å; S2274-W2276 PolarHBondContact OG-NE1 3.02Å |
| 2275 | A | 77.6 | Confident | 73.7 | Confident | 2.66667 Ų | 2.66667 | 33.6 Ų | 33.6 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L2265 S2287 H2288 | L2265-A2275 HydrophobicContact CD2-CB 3.52Å; L2265-A2275 VanDerWaalsContact CD2-CB 3.44Å; A2275-S2287 VanDerWaalsContact C-OG 3.3Å; A2275-S2287 VanDerWaalsContact CB-OG 3.29Å; A2275-S2287 WeakPolarHBondContact CB-OG 3.38Å; A2275-S2287 WeakPolarHBondContact O-CB 3.37Å; A2275-S2287 PolarHBondContact O-N 2.8Å; A2275-S2287 PolarHBondContact O-OG 3.38Å; A2275-H2288 PolarHBondContact N-O 3.43Å; A2275-H2288 PolarHBondContact O-N 3.3Å |
| 2276 | W | 78.1 | Confident | 73.4 | Confident | 9.66667 Ų | 9.66667 | 37 Ų | 37 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.9 | -176 | -59.1 | 79.5 | 0 | 0 | 0 | 109.9 | L2231 F2247 A2249 H2263 L2264 S2274 H2278 L2284 Q2285 L2286 | L2231-W2276 HydrophobicContact CD2-CD2 4.46Å; F2247-W2276 HydrophobicContact CB-CH2 3.95Å; F2247-W2276 HydrophobicContact CB-CZ3 4.07Å; F2247-W2276 HydrophobicContact CD1-CH2 4.46Å; F2247-W2276 AromaticContact CD1-CZ3 3.89Å; F2247-W2276 HydrophobicContact CD1-CZ3 4.05Å; F2247-W2276 HydrophobicContact CD2-CZ3 4.28Å; F2247-W2276 HydrophobicContact CE1-CZ3 4.4Å; F2247-W2276 HydrophobicContact CG-CH2 4.27Å; F2247-W2276 AromaticContact CG-CZ3 3.89Å; F2247-W2276 HydrophobicContact CG-CZ3 3.89Å; A2249-W2276 VanDerWaalsContact CA-CZ2 3.48Å; A2249-W2276 HydrophobicContact CB-CH2 4.41Å; A2249-W2276 HydrophobicContact CB-CZ2 3.66Å; H2263-W2276 CarbonylContact C-O 3.41Å; H2263-W2276 VanDerWaalsContact CA-O 3.23Å; H2263-W2276 WeakPolarHBondContact CA-O 3.26Å; L2264-W2276 HydrophobicContact CB-CB 4.38Å; L2264-W2276 PolarHBondContact N-O 3.2Å; L2264-W2276 WeakPolarHBondContact O-CB 3.2Å; L2264-W2276 PolarHBondContact O-N 3.1Å; S2274-W2276 VanDerWaalsContact CB-NE1 3.32Å; S2274-W2276 PolarHBondContact OG-NE1 3.02Å; W2276-H2278 PolarHBondContact O-N 2.99Å; W2276-L2284 HydrophobicContact CB-CB 4.37Å; W2276-L2284 HydrophobicContact CB-CD1 4.39Å; W2276-L2284 HydrophobicContact CB-CD2 3.79Å; W2276-L2284 HydrophobicContact CB-CG 4.44Å; W2276-L2284 HydrophobicContact CE3-CB 4.18Å; W2276-Q2285 CarbonylContact C-O 3.56Å; W2276-Q2285 VanDerWaalsContact CA-O 3.3Å; W2276-Q2285 WeakPolarHBondContact CA-O 3.3Å; W2276-L2286 HydrophobicContact CD2-CD1 4.23Å; W2276-L2286 HydrophobicContact CE3-CB 4.02Å; W2276-L2286 HydrophobicContact CE3-CD1 4.46Å; W2276-L2286 HydrophobicContact CH2-CB 3.9Å; W2276-L2286 HydrophobicContact CH2-CD1 3.94Å; W2276-L2286 HydrophobicContact CH2-CG 4.38Å; W2276-L2286 HydrophobicContact CZ2-CB 4.37Å; W2276-L2286 HydrophobicContact CZ2-CD1 3.56Å; W2276-L2286 HydrophobicContact CZ2-CG 4.44Å; W2276-L2286 HydrophobicContact CZ3-CB 3.72Å; W2276-L2286 HydrophobicContact CZ3-CD1 4.36Å |
| 2277 | K | 73 | Confident | 72.7 | Confident | 59.6667 Ų | 59.6667 | 39.4 Ų | 39.4 | 26% | 0.259 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.6 | 176 | -171.5 | 169 | 176.5 | 176.1 | 0 | 109.7 | W1898 N2262 H2263 L2284 Q2285 Y2436 | W1898-K2277 HydrophobicContact CD2-CD 4.46Å; W1898-K2277 VanDerWaalsContact CD2-NZ 3.31Å; W1898-K2277 HydrophobicContact CE3-CD 3.46Å; W1898-K2277 VanDerWaalsContact CE3-CD 3.46Å; W1898-K2277 HydrophobicContact CE3-CG 4.33Å; W1898-K2277 HydrophobicContact CH2-CD 4.07Å; W1898-K2277 HydrophobicContact CH2-CG 4.12Å; W1898-K2277 HydrophobicContact CZ3-CB 4.19Å; W1898-K2277 HydrophobicContact CZ3-CD 3.23Å; W1898-K2277 HydrophobicContact CZ3-CG 3.6Å; N2262-K2277 WeakPolarHBondContact O-CA 3.25Å; H2263-K2277 PolarHBondContact CD2-N 2.91Å; K2277-L2284 CarbonylContact O-C 3.47Å; K2277-L2284 WeakPolarHBondContact O-CA 3.18Å; K2277-Q2285 PolarHBondContact N-O 3.04Å; K2277-Q2285 PolarHBondContact O-N 2.97Å; K2277-Y2436 WeakPolarHBondContact CE-OH 3.36Å |
| 2278 | H | 71 | Confident | 71.9 | Confident | 12.6667 Ų | 12.6667 | 41.7 Ų | 41.7 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.4 | 171.5 | -33.4 | -40.5 | 0 | 0 | 0 | 110.2 | L2209 M2211 Y2223 R2259 N2262 W2276 V2283 L2284 | L2209-H2278 VanDerWaalsContact CD2-CD2 3.44Å; L2209-H2278 WeakPolarHBondContact CD2-CD2 3.22Å; L2209-H2278 WeakPolarHBondContact CD2-CE1 3.38Å; L2209-H2278 VanDerWaalsContact CD2-NE2 3.34Å; L2209-H2278 WeakPolarHBondContact CD2-NE2 3.27Å; M2211-H2278 HydrophobicContact CE-CB 3.59Å; M2211-H2278 WeakPolarHBondContact CE-CD2 3.24Å; M2211-H2278 PolarHBondContact SD-CD2 2.85Å; Y2223-H2278 AromaticContact CZ-CE1 3.95Å; Y2223-H2278 AromaticContact CZ-NE2 3.89Å; Y2223-H2278 PolarHBondContact OH-CD2 2.86Å; Y2223-H2278 PolarHBondContact OH-CE1 3.49Å; Y2223-H2278 PolarHBondContact OH-NE2 2.94Å; R2259-H2278 VanDerWaalsContact CZ-CE1 3.5Å; R2259-H2278 PolarHBondContact NH1-NE2 3.41Å; R2259-H2278 PolarHBondContact NH2-NE2 3.26Å; N2262-H2278 VanDerWaalsContact C-ND1 3.25Å; N2262-H2278 VanDerWaalsContact CA-CE1 3.47Å; N2262-H2278 WeakPolarHBondContact CA-CE1 2.81Å; N2262-H2278 PolarHBondContact O-CD2 3.06Å; N2262-H2278 VanDerWaalsContact O-CD2 3.31Å; N2262-H2278 PolarHBondContact O-CE1 2.85Å; N2262-H2278 PolarHBondContact O-N 3.41Å; N2262-H2278 VanDerWaalsContact O-N 3.15Å; N2262-H2278 PolarHBondContact O-ND1 2.77Å; W2276-H2278 PolarHBondContact O-N 2.99Å; H2278-V2283 WeakPolarHBondContact CA-O 3.35Å; H2278-L2284 HydrophobicContact CB-CD2 3.77Å; H2278-L2284 WeakPolarHBondContact CE1-CD2 3.26Å; H2278-L2284 WeakPolarHBondContact ND1-CD2 3.4Å; H2278-L2284 WeakPolarHBondContact NE2-CD2 3.49Å |
| 2279 | D | 65.9 | Low | 71.5 | Confident | 46 Ų | 46 | 47 Ų | 47 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | trans | -84.1 | 177.7 | 170.5 | 79.4 | 0.8 | 0 | 0 | 0 | 112.3 | W1898 M2211 Y2281 G2282 V2283 | W1898-D2279 HydrophobicContact CH2-CB 3.95Å; W1898-D2279 HydrophobicContact CZ2-CB 4.29Å; M2211-D2279 WeakPolarHBondContact CE-O 3.3Å; D2279-Y2281 PolarHBondContact O-N 2.95Å; D2279-Y2281 VanDerWaalsContact O-N 3.09Å; D2279-Y2281 VanDerWaalsContact OD1-C 3.3Å; D2279-Y2281 VanDerWaalsContact OD1-CA 3.31Å; D2279-Y2281 WeakPolarHBondContact OD1-CA 3.32Å; D2279-Y2281 WeakPolarHBondContact OD1-CB 3.43Å; D2279-Y2281 PolarHBondContact OD1-N 3.1Å; D2279-G2282 PolarHBondContact O-N 3.38Å; D2279-G2282 PolarHBondContact OD1-N 3.04Å; D2279-V2283 PolarHBondContact N-O 3.27Å; D2279-V2283 WeakPolarHBondContact OD1-CB 3.34Å; D2279-V2283 PolarHBondContact OD1-N 3.17Å; D2279-V2283 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 2280 | K | 63.1 | Low | 71.3 | Confident | 142 Ų | 142 | 45.4 Ų | 45.4 | 62% | 0.617 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18 | 179 | -66 | -176.9 | 179.8 | 179.5 | 0 | 113.9 | I2429 | K2280-I2429 PolarHBondContact NZ-O 2.49Å; K2280-I2429 VanDerWaalsContact NZ-O 3.17Å |
| 2281 | Y | 62.4 | Low | 71.3 | Confident | 143 Ų | 143 | 46.1 Ų | 46.1 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 6.2 | -179.4 | -54.5 | -73 | 0 | 0 | 0 | 112.4 | I2213 K2244 D2279 V2283 | I2213-Y2281 HydrophobicContact CD1-CD1 3.95Å; I2213-Y2281 HydrophobicContact CG1-CD1 4.32Å; I2213-Y2281 HydrophobicContact CG2-CD1 4.46Å; I2213-Y2281 HydrophobicContact CG2-CE1 4.06Å; K2244-Y2281 PolarHBondContact NZ-O 2.98Å; D2279-Y2281 PolarHBondContact O-N 2.95Å; D2279-Y2281 VanDerWaalsContact O-N 3.09Å; D2279-Y2281 VanDerWaalsContact OD1-C 3.3Å; D2279-Y2281 VanDerWaalsContact OD1-CA 3.31Å; D2279-Y2281 WeakPolarHBondContact OD1-CA 3.32Å; D2279-Y2281 WeakPolarHBondContact OD1-CB 3.43Å; D2279-Y2281 PolarHBondContact OD1-N 3.1Å; Y2281-V2283 VanDerWaalsContact C-N 3.29Å; Y2281-V2283 PolarHBondContact O-N 3.09Å |
| 2282 | G | 66.1 | Low | 71.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 70.1 | 20.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M2211 Y2223 N2233 K2244 D2279 | M2211-G2282 WeakPolarHBondContact SD-CA 3.01Å; M2211-G2282 PolarHBondContact SD-N 3.08Å; Y2223-G2282 WeakPolarHBondContact OH-CA 3.38Å; Y2223-G2282 PolarHBondContact OH-O 3.38Å; N2233-G2282 PolarHBondContact ND2-O 3.18Å; K2244-G2282 PolarHBondContact NZ-O 3.2Å; D2279-G2282 PolarHBondContact O-N 3.38Å; D2279-G2282 PolarHBondContact OD1-N 3.04Å |
| 2283 | V | 72.4 | Confident | 70.6 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -81.1 | 132.7 | 170.8 | 168.3 | 0 | 0 | 0 | 0 | 108.4 | K2244 Q2245 H2278 D2279 Y2281 | K2244-V2283 HydrophobicContact CD-CG2 4.44Å; Q2245-V2283 VanDerWaalsContact CD-CG1 3.48Å; H2278-V2283 WeakPolarHBondContact CA-O 3.35Å; D2279-V2283 PolarHBondContact N-O 3.27Å; D2279-V2283 WeakPolarHBondContact OD1-CB 3.34Å; D2279-V2283 PolarHBondContact OD1-N 3.17Å; D2279-V2283 WeakPolarHBondContact OD2-CB 3.45Å; Y2281-V2283 VanDerWaalsContact C-N 3.29Å; Y2281-V2283 PolarHBondContact O-N 3.09Å | ||
| 2284 | L | 77.9 | Confident | 69.7 | Low | 2.33333 Ų | 2.33333 | 49.3 Ų | 49.3 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 135.7 | 176.6 | -70.9 | 176.4 | 0 | 0 | 0 | 110.7 | Y2223 L2231 Q2245 F2247 L2264 W2276 K2277 H2278 | Y2223-L2284 HydrophobicContact CD1-CD1 3.75Å; Y2223-L2284 HydrophobicContact CD1-CG 4.26Å; Y2223-L2284 HydrophobicContact CE1-CD1 3.31Å; Y2223-L2284 VanDerWaalsContact CE1-CD1 3.42Å; Y2223-L2284 HydrophobicContact CE1-CD2 4.24Å; Y2223-L2284 HydrophobicContact CE1-CG 3.76Å; L2231-L2284 HydrophobicContact CD2-CD1 3.84Å; L2231-L2284 HydrophobicContact CG-CD1 4.19Å; Q2245-L2284 VanDerWaalsContact OE1-N 3.16Å; F2247-L2284 HydrophobicContact CD2-CB 4.5Å; F2247-L2284 HydrophobicContact CE2-CB 3.87Å; F2247-L2284 HydrophobicContact CE2-CD1 4.33Å; F2247-L2284 HydrophobicContact CZ-CB 4.16Å; F2247-L2284 WeakPolarHBondContact CZ-O 3.4Å; L2264-L2284 HydrophobicContact CB-CD2 4.2Å; L2264-L2284 HydrophobicContact CD2-CD1 3.97Å; L2264-L2284 HydrophobicContact CD2-CD2 4.17Å; W2276-L2284 HydrophobicContact CB-CB 4.37Å; W2276-L2284 HydrophobicContact CB-CD1 4.39Å; W2276-L2284 HydrophobicContact CB-CD2 3.79Å; W2276-L2284 HydrophobicContact CB-CG 4.44Å; W2276-L2284 HydrophobicContact CE3-CB 4.18Å; K2277-L2284 CarbonylContact O-C 3.47Å; K2277-L2284 WeakPolarHBondContact O-CA 3.18Å; H2278-L2284 HydrophobicContact CB-CD2 3.77Å; H2278-L2284 WeakPolarHBondContact CE1-CD2 3.26Å; H2278-L2284 WeakPolarHBondContact ND1-CD2 3.4Å; H2278-L2284 WeakPolarHBondContact NE2-CD2 3.49Å |
| 2285 | Q | 75.8 | Confident | 68.6 | Low | 94.6667 Ų | 94.6667 | 51.2 Ų | 51.2 | 44% | 0.442 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.3 | 169.6 | -95.2 | -178.4 | 1.7 | 0 | 0 | 109.2 | W2276 K2277 S2287 L2420 | W2276-Q2285 CarbonylContact C-O 3.56Å; W2276-Q2285 VanDerWaalsContact CA-O 3.3Å; W2276-Q2285 WeakPolarHBondContact CA-O 3.3Å; K2277-Q2285 PolarHBondContact N-O 3.04Å; K2277-Q2285 PolarHBondContact O-N 2.97Å; Q2285-S2287 PolarHBondContact O-N 3.03Å; Q2285-L2420 HydrophobicContact CB-CD1 3.88Å; Q2285-L2420 HydrophobicContact CB-CD2 4.32Å; Q2285-L2420 HydrophobicContact CG-CD1 3.76Å; Q2285-L2420 HydrophobicContact CG-CD2 4.07Å |
| 2286 | L | 75.8 | Confident | 67.6 | Low | 77.3333 Ų | 77.3333 | 52.3 Ų | 52.3 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 123.4 | 175.2 | -179.2 | 68.4 | 0 | 0 | 0 | 109.3 | W2276 R2289 | W2276-L2286 HydrophobicContact CD2-CD1 4.23Å; W2276-L2286 HydrophobicContact CE3-CB 4.02Å; W2276-L2286 HydrophobicContact CE3-CD1 4.46Å; W2276-L2286 HydrophobicContact CH2-CB 3.9Å; W2276-L2286 HydrophobicContact CH2-CD1 3.94Å; W2276-L2286 HydrophobicContact CH2-CG 4.38Å; W2276-L2286 HydrophobicContact CZ2-CB 4.37Å; W2276-L2286 HydrophobicContact CZ2-CD1 3.56Å; W2276-L2286 HydrophobicContact CZ2-CG 4.44Å; W2276-L2286 HydrophobicContact CZ3-CB 3.72Å; W2276-L2286 HydrophobicContact CZ3-CD1 4.36Å; L2286-R2289 HydrophobicContact CD1-CG 4.13Å; L2286-R2289 HydrophobicContact CD2-CG 4.47Å |
| 2287 | S | 66.5 | Low | 66 | Low | 50.3333 Ų | 50.3333 | 55.9 Ų | 55.9 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -60.5 | 174.6 | 146.5 | 0 | 0 | 0 | 0 | 110.5 | A2275 Q2285 | A2275-S2287 VanDerWaalsContact C-OG 3.3Å; A2275-S2287 VanDerWaalsContact CB-OG 3.29Å; A2275-S2287 WeakPolarHBondContact CB-OG 3.38Å; A2275-S2287 WeakPolarHBondContact O-CB 3.37Å; A2275-S2287 PolarHBondContact O-N 2.8Å; A2275-S2287 PolarHBondContact O-OG 3.38Å; Q2285-S2287 PolarHBondContact O-N 3.03Å |
| 2288 | H | 65.9 | Low | 64.7 | Low | 50.6667 Ų | 50.6667 | 56.3 Ų | 56.3 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160.6 | -176.8 | 23.7 | -80.3 | 0 | 0 | 0 | 111.6 | W1962 A2275 L2290 | W1962-H2288 AromaticContact CH2-CE1 3.93Å; W1962-H2288 AromaticContact CH2-ND1 3.99Å; A2275-H2288 PolarHBondContact N-O 3.43Å; A2275-H2288 PolarHBondContact O-N 3.3Å; H2288-L2290 VanDerWaalsContact CD2-CD1 3.41Å; H2288-L2290 WeakPolarHBondContact CD2-CD1 3.46Å |
| 2289 | R | 70.2 | Confident | 63.4 | Low | 110.667 Ų | 110.667 | 61.4 Ų | 61.4 | 42% | 0.418 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.9 | 172.2 | -69.8 | -175.1 | 177.6 | 179.5 | 2 | 109.6 | H2248 A2249 E2272 V2273 L2286 | H2248-R2289 PolarHBondContact O-NH2 3.24Å; H2248-R2289 VanDerWaalsContact O-NH2 3.09Å; A2249-R2289 PolarHBondContact O-NE 3.03Å; A2249-R2289 PolarHBondContact O-NH2 3.41Å; A2249-R2289 VanDerWaalsContact O-NH2 3.11Å; E2272-R2289 WeakPolarHBondContact OE1-CD 3.18Å; E2272-R2289 IonicContact OE1-CZ 2.82Å; E2272-R2289 IonicContact OE1-NE 2.89Å; E2272-R2289 IonicContact OE1-NH1 2.87Å; E2272-R2289 PolarHBondContact OE1-NH1 3.13Å; E2272-R2289 VanDerWaalsContact OE1-NH1 3.13Å; V2273-R2289 CarbonylContact O-C 3.56Å; V2273-R2289 WeakPolarHBondContact O-CA 3.32Å; L2286-R2289 HydrophobicContact CD1-CG 4.13Å; L2286-R2289 HydrophobicContact CD2-CG 4.47Å |
| 2290 | L | 66.8 | Low | 62.2 | Low | 31.3333 Ų | 31.3333 | 63.2 Ų | 63.2 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.8 | -179.2 | -62.3 | 157.5 | 0 | 0 | 0 | 108.1 | E2272 V2273 H2288 V2292 F2468 | E2272-L2290 CarbonylContact C-O 3.55Å; E2272-L2290 WeakPolarHBondContact CA-O 3.48Å; V2273-L2290 HydrophobicContact CB-CB 4.25Å; V2273-L2290 PolarHBondContact N-O 3.11Å; V2273-L2290 PolarHBondContact O-N 3.16Å; H2288-L2290 VanDerWaalsContact CD2-CD1 3.41Å; H2288-L2290 WeakPolarHBondContact CD2-CD1 3.46Å; L2290-V2292 HydrophobicContact CB-CG2 4.35Å; L2290-F2468 HydrophobicContact CD1-CE1 3.76Å; L2290-F2468 HydrophobicContact CD1-CE2 4.27Å; L2290-F2468 HydrophobicContact CD1-CZ 3.55Å; L2290-F2468 HydrophobicContact CD2-CZ 4.3Å; L2290-F2468 HydrophobicContact CG-CZ 4.46Å |
| 2291 | N | 69.1 | Low | 61 | Low | 77.6667 Ų | 77.6667 | 62.6 Ų | 62.6 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 107.8 | 169.6 | -173.1 | -17.9 | 0 | 0 | 0 | 108.8 | C2293 T2294 | N2291-C2293 VanDerWaalsContact C-N 3.3Å; N2291-C2293 PolarHBondContact O-N 3.12Å; N2291-C2293 PolarHBondContact OD1-N 3.08Å; N2291-T2294 HydrophobicContact CB-CG2 3.93Å; N2291-T2294 VanDerWaalsContact CG-CG2 3.46Å; N2291-T2294 PolarHBondContact O-OG1 3.41Å; N2291-T2294 PolarHBondContact OD1-N 3.33Å |
| 2292 | V | 66 | Low | 59.9 | Low | 4.33333 Ų | 4.33333 | 60.1 Ų | 60.1 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.3 | -172.9 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | G2271 V2273 L2290 F2317 Y2444 R2466 | G2271-V2292 PolarHBondContact O-N 3.17Å; V2273-V2292 HydrophobicContact CB-CG2 4.39Å; V2273-V2292 HydrophobicContact CG2-CG2 3.77Å; L2290-V2292 HydrophobicContact CB-CG2 4.35Å; V2292-F2317 HydrophobicContact CB-CE1 4.43Å; V2292-F2317 HydrophobicContact CG2-CE1 4.23Å; V2292-Y2444 HydrophobicContact CG1-CD1 4Å; V2292-Y2444 HydrophobicContact CG1-CD2 3.95Å; V2292-Y2444 HydrophobicContact CG1-CE2 3.9Å; V2292-Y2444 HydrophobicContact CG1-CG 3.92Å; V2292-Y2444 HydrophobicContact CG2-CD1 4.34Å; V2292-Y2444 HydrophobicContact CG2-CD2 4.48Å; V2292-Y2444 HydrophobicContact CG2-CE1 4.12Å; V2292-Y2444 HydrophobicContact CG2-CE2 4.02Å; V2292-R2466 VanDerWaalsContact C-NH2 3.33Å; V2292-R2466 VanDerWaalsContact O-CZ 3.28Å; V2292-R2466 PolarHBondContact O-NH1 3.37Å; V2292-R2466 PolarHBondContact O-NH2 2.88Å |
| 2293 | C | 62.6 | Low | 58.7 | Low | 14.3333 Ų | 14.3333 | 67.6 Ų | 67.6 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 7.3 | -176 | -73.4 | 0 | 0 | 0 | 0 | 115.1 | D2270 G2271 N2291 D2295 I2296 P2297 F2316 | D2270-C2293 WeakPolarHBondContact O-CB 3.4Å; G2271-C2293 WeakPolarHBondContact CA-SG 3.43Å; N2291-C2293 VanDerWaalsContact C-N 3.3Å; N2291-C2293 PolarHBondContact O-N 3.12Å; N2291-C2293 PolarHBondContact OD1-N 3.08Å; C2293-D2295 PolarHBondContact O-N 3.06Å; C2293-D2295 VanDerWaalsContact O-N 3.14Å; C2293-I2296 HydrophobicContact CB-CD1 3.93Å; C2293-I2296 HydrophobicContact CB-CG1 4.44Å; C2293-I2296 PolarHBondContact O-N 3.03Å; C2293-I2296 VanDerWaalsContact O-N 3.16Å; C2293-I2296 VanDerWaalsContact SG-CD1 3.52Å; C2293-P2297 WeakPolarHBondContact O-CD 3.39Å; C2293-F2316 WeakPolarHBondContact SG-CE1 3.37Å; C2293-F2316 WeakPolarHBondContact SG-CZ 3.44Å |
| 2294 | T | 59 | Low | 57.3 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.2 | -172 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | N2291 P2297 | N2291-T2294 HydrophobicContact CB-CG2 3.93Å; N2291-T2294 VanDerWaalsContact CG-CG2 3.46Å; N2291-T2294 PolarHBondContact O-OG1 3.41Å; N2291-T2294 PolarHBondContact OD1-N 3.33Å; T2294-P2297 WeakPolarHBondContact O-CD 3.39Å |
| 2295 | D | 56.3 | Low | 55.6 | Low | 40.6667 Ų | 40.6667 | 77.8 Ų | 77.8 | 22% | 0.217 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -19 | -173.1 | -18.6 | -35.2 | 0 | 0 | 0 | 113.8 | Y1965 W1968 C2293 S2298 R2466 | Y1965-D2295 WeakPolarHBondContact CE2-OD2 3.35Å; Y1965-D2295 VanDerWaalsContact CZ-OD2 3.26Å; Y1965-D2295 PolarHBondContact OH-OD2 3.44Å; W1968-D2295 PolarHBondContact NE1-OD2 3.42Å; W1968-D2295 VanDerWaalsContact NE1-OD2 3.11Å; C2293-D2295 PolarHBondContact O-N 3.06Å; C2293-D2295 VanDerWaalsContact O-N 3.14Å; D2295-S2298 VanDerWaalsContact O-CB 3.31Å; D2295-S2298 WeakPolarHBondContact O-CB 3.38Å; D2295-S2298 PolarHBondContact O-N 3.13Å; D2295-S2298 VanDerWaalsContact O-N 3.11Å; D2295-S2298 PolarHBondContact O-OG 3.39Å; D2295-R2466 VanDerWaalsContact CG-NH1 3.29Å; D2295-R2466 IonicContact OD1-CZ 2.71Å; D2295-R2466 IonicContact OD1-NH1 3.3Å; D2295-R2466 PolarHBondContact OD1-NH1 3.16Å; D2295-R2466 IonicContact OD1-NH2 3.04Å; D2295-R2466 PolarHBondContact OD1-NH2 3.08Å; D2295-R2466 IonicContact OD2-NH1 2.8Å; D2295-R2466 PolarHBondContact OD2-NH1 3.3Å |
| 2296 | I | 55.4 | Low | 54.1 | Low | 25.6667 Ų | 25.6667 | 80.8 Ų | 80.8 | 13% | 0.132 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -61.7 | -41.9 | -175.7 | -60.4 | 174.2 | 0 | 0 | 0 | 113.3 | W1968 C2293 S2298 K2299 L2313 V2446 F2448 | W1968-I2296 HydrophobicContact CH2-CD1 4.15Å; W1968-I2296 HydrophobicContact CZ2-CD1 3.78Å; W1968-I2296 HydrophobicContact CZ2-CG1 3.91Å; C2293-I2296 HydrophobicContact CB-CD1 3.93Å; C2293-I2296 HydrophobicContact CB-CG1 4.44Å; C2293-I2296 PolarHBondContact O-N 3.03Å; C2293-I2296 VanDerWaalsContact O-N 3.16Å; C2293-I2296 VanDerWaalsContact SG-CD1 3.52Å; I2296-S2298 PolarHBondContact O-N 3.1Å; I2296-S2298 VanDerWaalsContact O-N 3.08Å; I2296-K2299 WeakPolarHBondContact O-CB 3.34Å; I2296-K2299 PolarHBondContact O-N 3.14Å; I2296-K2299 VanDerWaalsContact O-N 3.1Å; I2296-L2313 HydrophobicContact CD1-CD1 3.97Å; I2296-L2313 HydrophobicContact CD1-CD2 3.82Å; I2296-L2313 HydrophobicContact CG2-CD1 4.21Å; I2296-L2313 HydrophobicContact CG2-CD2 3.82Å; I2296-V2446 HydrophobicContact CD1-CG1 4.33Å; I2296-V2446 HydrophobicContact CD1-CG2 4.44Å; I2296-F2448 HydrophobicContact CD1-CE1 4.14Å; I2296-F2448 HydrophobicContact CD1-CZ 3.94Å; I2296-F2448 HydrophobicContact CG1-CE1 4.42Å; I2296-F2448 HydrophobicContact CG1-CZ 4.3Å; I2296-F2448 HydrophobicContact CG2-CE1 3.56Å; I2296-F2448 HydrophobicContact CG2-CZ 3.91Å |
| 2297 | P | 45.6 | Very low | 52.5 | Low | 84.6667 Ų | 84.6667 | 81.3 Ų | 81.3 | 55% | 0.55 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.4 | -21.5 | -179.6 | -8.6 | 12.3 | 0 | 0 | 0 | 113.8 | C2293 T2294 K2299 N2300 | C2293-P2297 WeakPolarHBondContact O-CD 3.39Å; T2294-P2297 WeakPolarHBondContact O-CD 3.39Å; P2297-K2299 VanDerWaalsContact C-N 3.29Å; P2297-K2299 PolarHBondContact O-N 3.19Å; P2297-N2300 PolarHBondContact O-N 2.93Å; P2297-N2300 VanDerWaalsContact O-N 3.16Å |
| 2298 | S | 45.7 | Very low | 51.2 | Low | 69.6667 Ų | 69.6667 | 88 Ų | 88 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -21.8 | 179.7 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | D2295 I2296 N2300 | D2295-S2298 VanDerWaalsContact O-CB 3.31Å; D2295-S2298 WeakPolarHBondContact O-CB 3.38Å; D2295-S2298 PolarHBondContact O-N 3.13Å; D2295-S2298 VanDerWaalsContact O-N 3.11Å; D2295-S2298 PolarHBondContact O-OG 3.39Å; I2296-S2298 PolarHBondContact O-N 3.1Å; I2296-S2298 VanDerWaalsContact O-N 3.08Å; S2298-N2300 VanDerWaalsContact C-N 3.32Å; S2298-N2300 PolarHBondContact O-N 3.15Å |
| 2299 | K | 42.5 | Very low | 50.1 | Low | 119.333 Ų | 119.333 | 90.3 Ų | 90.3 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -25 | 175.1 | -93.1 | -177.8 | 174.3 | 179.1 | 0 | 113.2 | D1970 I2296 P2297 N2301 S2302 | D1970-K2299 IonicContact OD1-NZ 3.71Å; D1970-K2299 IonicContact OD2-NZ 3.95Å; D1970-K2299 PolarHBondContact OD2-NZ 3.4Å; I2296-K2299 WeakPolarHBondContact O-CB 3.34Å; I2296-K2299 PolarHBondContact O-N 3.14Å; I2296-K2299 VanDerWaalsContact O-N 3.1Å; P2297-K2299 VanDerWaalsContact C-N 3.29Å; P2297-K2299 PolarHBondContact O-N 3.19Å; K2299-N2301 VanDerWaalsContact C-N 3.3Å; K2299-N2301 PolarHBondContact O-N 2.84Å; K2299-S2302 PolarHBondContact O-N 3.29Å; K2299-S2302 PolarHBondContact O-OG 2.91Å |
| 2300 | N | 41 | Very low | 48.7 | Very low | 83.3333 Ų | 83.3333 | 87.2 Ų | 87.2 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.2 | -22.4 | -178.6 | -77.1 | -3.8 | 0 | 0 | 0 | 113.5 | P2297 S2298 S2302 K2309 Y2311 | P2297-N2300 PolarHBondContact O-N 2.93Å; P2297-N2300 VanDerWaalsContact O-N 3.16Å; S2298-N2300 VanDerWaalsContact C-N 3.32Å; S2298-N2300 PolarHBondContact O-N 3.15Å; N2300-S2302 VanDerWaalsContact C-N 3.31Å; N2300-S2302 PolarHBondContact O-N 2.7Å; N2300-K2309 PolarHBondContact OD1-O 3.22Å; N2300-Y2311 VanDerWaalsContact OD1-CD2 3.28Å; N2300-Y2311 WeakPolarHBondContact OD1-CD2 3.41Å; N2300-Y2311 PolarHBondContact OD1-N 3.35Å |
| 2301 | N | 37.7 | Very low | 47.7 | Very low | 129 Ų | 129 | 89.5 Ų | 89.5 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 19.2 | -174.9 | -77.1 | -3.7 | 0 | 0 | 0 | 114.5 | K2299 N2303 | K2299-N2301 VanDerWaalsContact C-N 3.3Å; K2299-N2301 PolarHBondContact O-N 2.84Å; N2301-N2303 PolarHBondContact O-N 3.27Å |
| 2302 | S | 40.8 | Very low | 46.6 | Very low | 90.6667 Ų | 90.6667 | 92.2 Ų | 92.2 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | trans | -73 | 107.6 | 169.6 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | K2299 N2300 N2304 | K2299-S2302 PolarHBondContact O-N 3.29Å; K2299-S2302 PolarHBondContact O-OG 2.91Å; N2300-S2302 VanDerWaalsContact C-N 3.31Å; N2300-S2302 PolarHBondContact O-N 2.7Å; S2302-N2304 VanDerWaalsContact C-N 3.29Å; S2302-N2304 PolarHBondContact O-N 2.98Å | ||
| 2303 | N | 39.8 | Very low | 45.8 | Very low | 158.333 Ų | 158.333 | 95.1 Ų | 95.1 | 85% | 0.847 | 51% | 0.512 | S | S | * | . | trans | -58.1 | 41.9 | -173.8 | -76.8 | -21.2 | 0 | 0 | 0 | 116.8 | N2301 S2305 | N2301-N2303 PolarHBondContact O-N 3.27Å; N2303-S2305 VanDerWaalsContact C-N 3.26Å; N2303-S2305 PolarHBondContact O-N 2.77Å | ||
| 2304 | N | 42.3 | Very low | 45.3 | Very low | 147.667 Ų | 147.667 | 97.6 Ų | 97.6 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | trans | -93.2 | 97.2 | 166 | -82.9 | -9 | 0 | 0 | 0 | 109.7 | S2302 N2306 | S2302-N2304 VanDerWaalsContact C-N 3.29Å; S2302-N2304 PolarHBondContact O-N 2.98Å; N2304-N2306 PolarHBondContact O-N 3.31Å | ||
| 2305 | S | 42.2 | Very low | 45.1 | Very low | 105.667 Ų | 105.667 | 95.5 Ų | 95.5 | 74% | 0.739 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 89.9 | 179.6 | 48.2 | 0 | 0 | 0 | 0 | 115 | N2303 V2307 | N2303-S2305 VanDerWaalsContact C-N 3.26Å; N2303-S2305 PolarHBondContact O-N 2.77Å; S2305-V2307 PolarHBondContact O-N 3.39Å |
| 2306 | N | 44.2 | Very low | 45.1 | Very low | 159 Ų | 159 | 94.6 Ų | 94.6 | 85% | 0.85 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161.4 | 7.6 | 158.2 | -75.1 | -9.8 | 0 | 0 | 0 | 116.7 | N2304 | N2304-N2306 PolarHBondContact O-N 3.31Š|
| 2307 | V | 43.9 | Very low | 45.3 | Very low | 86.3333 Ų | 86.3333 | 94.2 Ų | 94.2 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | trans | -134.4 | 95.3 | 166.5 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | S2305 K2309 | S2305-V2307 PolarHBondContact O-N 3.39Å; V2307-K2309 VanDerWaalsContact C-N 3.29Å; V2307-K2309 HydrophobicContact CG1-CG 3.86Å; V2307-K2309 PolarHBondContact O-N 3.18Å | ||
| 2308 | E | 39.1 | Very low | 45.9 | Very low | 192.667 Ų | 192.667 | 90.5 Ų | 90.5 | 90% | 0.9 | 48% | 0.482 | S | S | * | . | trans | -63 | 87.3 | 165.6 | -77 | -174.6 | 162.6 | 0 | 0 | 108.6 | S2310 | E2308-S2310 VanDerWaalsContact C-N 3.32Å; E2308-S2310 PolarHBondContact O-N 3.19Å; E2308-S2310 VanDerWaalsContact O-N 3.15Å | ||
| 2309 | K | 42.4 | Very low | 46.6 | Very low | 98.6667 Ų | 98.6667 | 87.8 Ų | 87.8 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | trans | -77.6 | 97.1 | 167.4 | -70.1 | -177 | -178.2 | 173.8 | 0 | 107.2 | N2300 V2307 Y2311 | N2300-K2309 PolarHBondContact OD1-O 3.22Å; V2307-K2309 VanDerWaalsContact C-N 3.29Å; V2307-K2309 HydrophobicContact CG1-CG 3.86Å; V2307-K2309 PolarHBondContact O-N 3.18Å; K2309-Y2311 HydrophobicContact CB-CD2 4.32Å; K2309-Y2311 HydrophobicContact CB-CE2 3.76Å; K2309-Y2311 HydrophobicContact CD-CE2 4.46Å; K2309-Y2311 WeakPolarHBondContact CD-OH 3.49Å; K2309-Y2311 WeakPolarHBondContact O-CD2 3.42Å; K2309-Y2311 PolarHBondContact O-N 3.04Å | ||
| 2310 | S | 41 | Very low | 47.4 | Very low | 44.6667 Ų | 44.6667 | 84.7 Ų | 84.7 | 31% | 0.312 | 45% | 0.447 | S | S | . | . | trans | -73.6 | 106.8 | 166.6 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | E2308 Y2312 | E2308-S2310 VanDerWaalsContact C-N 3.32Å; E2308-S2310 PolarHBondContact O-N 3.19Å; E2308-S2310 VanDerWaalsContact O-N 3.15Å; S2310-Y2312 VanDerWaalsContact OG-CE2 3.28Å; S2310-Y2312 WeakPolarHBondContact OG-CE2 3.45Å; S2310-Y2312 PolarHBondContact OG-OH 2.86Å | ||
| 2311 | Y | 45.6 | Very low | 47.8 | Very low | 79.3333 Ų | 79.3333 | 81.2 Ų | 81.2 | 31% | 0.311 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.7 | 169.5 | -65.3 | -88.7 | 0 | 0 | 0 | 108.9 | N2300 K2309 F2448 C2450 | N2300-Y2311 VanDerWaalsContact OD1-CD2 3.28Å; N2300-Y2311 WeakPolarHBondContact OD1-CD2 3.41Å; N2300-Y2311 PolarHBondContact OD1-N 3.35Å; K2309-Y2311 HydrophobicContact CB-CD2 4.32Å; K2309-Y2311 HydrophobicContact CB-CE2 3.76Å; K2309-Y2311 HydrophobicContact CD-CE2 4.46Å; K2309-Y2311 WeakPolarHBondContact CD-OH 3.49Å; K2309-Y2311 WeakPolarHBondContact O-CD2 3.42Å; K2309-Y2311 PolarHBondContact O-N 3.04Å; Y2311-F2448 HydrophobicContact CD1-CB 4.13Å; Y2311-F2448 HydrophobicContact CD1-CD1 4.44Å; Y2311-F2448 HydrophobicContact CD1-CG 4.4Å; Y2311-C2450 HydrophobicContact CD1-CB 4.17Å; Y2311-C2450 HydrophobicContact CE1-CB 4.28Å |
| 2312 | Y | 46.6 | Very low | 48.3 | Very low | 135.333 Ų | 135.333 | 75.9 Ų | 75.9 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.9 | 168.1 | -56.9 | -87.3 | 0 | 0 | 0 | 108.9 | S2310 T2314 F2448 S2449 | S2310-Y2312 VanDerWaalsContact OG-CE2 3.28Å; S2310-Y2312 WeakPolarHBondContact OG-CE2 3.45Å; S2310-Y2312 PolarHBondContact OG-OH 2.86Å; Y2312-T2314 PolarHBondContact O-N 2.84Å; Y2312-F2448 WeakPolarHBondContact O-CA 3.37Å; Y2312-S2449 PolarHBondContact N-O 3.37Å; Y2312-S2449 PolarHBondContact O-N 3.27Å; Y2312-S2449 PolarHBondContact O-OG 3Å |
| 2313 | L | 48.3 | Very low | 48.4 | Very low | 64.3333 Ų | 64.3333 | 79.7 Ų | 79.7 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.7 | 171.9 | -139.9 | 112.8 | 0 | 0 | 0 | 108.4 | D2269 I2296 F2316 V2446 F2448 | D2269-L2313 WeakPolarHBondContact O-CD2 3.48Å; I2296-L2313 HydrophobicContact CD1-CD1 3.97Å; I2296-L2313 HydrophobicContact CD1-CD2 3.82Å; I2296-L2313 HydrophobicContact CG2-CD1 4.21Å; I2296-L2313 HydrophobicContact CG2-CD2 3.82Å; L2313-F2316 HydrophobicContact CD1-CE1 4.03Å; L2313-F2316 HydrophobicContact CD1-CE2 4.19Å; L2313-F2316 HydrophobicContact CD1-CZ 3.47Å; L2313-F2316 VanDerWaalsContact CD1-CZ 3.47Å; L2313-F2316 HydrophobicContact CD2-CD2 3.65Å; L2313-F2316 HydrophobicContact CD2-CE1 3.96Å; L2313-F2316 HydrophobicContact CD2-CE2 2.97Å; L2313-F2316 HydrophobicContact CD2-CG 4.43Å; L2313-F2316 HydrophobicContact CD2-CZ 3.16Å; L2313-F2316 HydrophobicContact CG-CE2 4.17Å; L2313-F2316 HydrophobicContact CG-CZ 3.93Å; L2313-V2446 HydrophobicContact CD1-CB 4.2Å; L2313-V2446 HydrophobicContact CD1-CG1 3.33Å; L2313-V2446 HydrophobicContact CD1-CG2 3.96Å; L2313-V2446 HydrophobicContact CD2-CG1 4Å; L2313-V2446 HydrophobicContact CG-CG1 3.94Å; L2313-V2446 VanDerWaalsContact CG-CG1 3.49Å; L2313-F2448 HydrophobicContact CD1-CE1 4.16Å |
| 2314 | T | 51.4 | Low | 48.4 | Very low | 66.6667 Ų | 66.6667 | 76.7 Ų | 76.7 | 41% | 0.409 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -4.3 | 177 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | Y2312 K2447 S2449 | Y2312-T2314 PolarHBondContact O-N 2.84Å; T2314-K2447 PolarHBondContact N-O 3.1Å; T2314-K2447 VanDerWaalsContact OG1-CB 3.29Å; T2314-K2447 WeakPolarHBondContact OG1-CB 3.37Å; T2314-K2447 WeakPolarHBondContact OG1-CD 3.43Å; T2314-K2447 VanDerWaalsContact OG1-CG 3.28Å; T2314-K2447 WeakPolarHBondContact OG1-CG 3.25Å; T2314-K2447 PolarHBondContact OG1-O 3.3Å; T2314-S2449 VanDerWaalsContact CG2-OG 3.31Å; T2314-S2449 WeakPolarHBondContact CG2-OG 3.48Å |
| 2315 | S | 54.2 | Low | 48 | Very low | 23 Ų | 23 | 74.3 Ų | 74.3 | 16% | 0.161 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.5 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | D2269 F2317 K2447 | D2269-S2315 VanDerWaalsContact CA-OG 3.29Å; D2269-S2315 WeakPolarHBondContact CA-OG 3.47Å; D2269-S2315 PolarHBondContact O-OG 3Å; D2269-S2315 PolarHBondContact OD1-OG 3.09Å; S2315-F2317 VanDerWaalsContact OG-CE2 3.31Å; S2315-F2317 WeakPolarHBondContact OG-CE2 3.49Å; S2315-K2447 PolarHBondContact O-N 2.96Å; S2315-K2447 VanDerWaalsContact OG-CB 3.31Å; S2315-K2447 WeakPolarHBondContact OG-CB 3.21Å |
| 2316 | F | 58.2 | Low | 47.6 | Very low | 21.6667 Ų | 21.6667 | 74.8 Ų | 74.8 | 10% | 0.095 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.9 | 171.6 | -152.7 | -90.2 | 0 | 0 | 0 | 110.8 | V1987 F2256 A2267 D2269 G2271 V2273 C2293 L2313 M2318 Y2444 G2445 V2446 | V1987-F2316 HydrophobicContact CB-CD2 4.22Å; V1987-F2316 HydrophobicContact CB-CE2 4.14Å; V1987-F2316 HydrophobicContact CG1-CE2 4.13Å; V1987-F2316 HydrophobicContact CG2-CD2 4.21Å; V1987-F2316 HydrophobicContact CG2-CE2 4Å; V1987-F2316 HydrophobicContact CG2-CZ 4.21Å; F2256-F2316 WeakPolarHBondContact CE2-O 3.47Å; F2256-F2316 WeakPolarHBondContact CZ-O 3.13Å; A2267-F2316 HydrophobicContact CB-CD1 4.06Å; A2267-F2316 HydrophobicContact CB-CE1 3.59Å; D2269-F2316 HydrophobicContact CB-CD2 4.5Å; D2269-F2316 WeakPolarHBondContact O-CE2 3.18Å; G2271-F2316 VanDerWaalsContact N-CZ 3.34Å; V2273-F2316 HydrophobicContact CG2-CE1 4.22Å; V2273-F2316 HydrophobicContact CG2-CZ 3.99Å; C2293-F2316 WeakPolarHBondContact SG-CE1 3.37Å; C2293-F2316 WeakPolarHBondContact SG-CZ 3.44Å; L2313-F2316 HydrophobicContact CD1-CE1 4.03Å; L2313-F2316 HydrophobicContact CD1-CE2 4.19Å; L2313-F2316 HydrophobicContact CD1-CZ 3.47Å; L2313-F2316 VanDerWaalsContact CD1-CZ 3.47Å; L2313-F2316 HydrophobicContact CD2-CD2 3.65Å; L2313-F2316 HydrophobicContact CD2-CE1 3.96Å; L2313-F2316 HydrophobicContact CD2-CE2 2.97Å; L2313-F2316 HydrophobicContact CD2-CG 4.43Å; L2313-F2316 HydrophobicContact CD2-CZ 3.16Å; L2313-F2316 HydrophobicContact CG-CE2 4.17Å; L2313-F2316 HydrophobicContact CG-CZ 3.93Å; F2316-M2318 HydrophobicContact CE1-CB 4.08Å; F2316-Y2444 AromaticContact CE1-CD1 3.72Å; F2316-Y2444 HydrophobicContact CE1-CD1 3.72Å; F2316-Y2444 HydrophobicContact CE1-CE1 4.1Å; F2316-Y2444 HydrophobicContact CE2-CD1 4.05Å; F2316-Y2444 HydrophobicContact CE2-CG 4.41Å; F2316-Y2444 AromaticContact CZ-CD1 3.17Å; F2316-Y2444 HydrophobicContact CZ-CD1 3.17Å; F2316-Y2444 AromaticContact CZ-CE1 3.7Å; F2316-Y2444 HydrophobicContact CZ-CE1 3.7Å; F2316-Y2444 AromaticContact CZ-CG 3.92Å; F2316-Y2444 HydrophobicContact CZ-CG 3.92Å; F2316-G2445 CarbonylContact C-O 3.51Å; F2316-G2445 WeakPolarHBondContact CA-O 3.47Å; F2316-V2446 HydrophobicContact CD1-CG2 3.58Å; F2316-V2446 HydrophobicContact CD2-CG2 3.99Å; F2316-V2446 HydrophobicContact CE1-CG2 3.42Å; F2316-V2446 VanDerWaalsContact CE1-CG2 3.42Å; F2316-V2446 HydrophobicContact CE2-CG2 4.49Å; F2316-V2446 HydrophobicContact CZ-CG2 4.46Å |
| 2317 | F | 59.2 | Low | 47.1 | Very low | 18.6667 Ų | 18.6667 | 75.2 Ų | 75.2 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141 | 174.2 | -62.9 | -87.5 | 0 | 0 | 0 | 109.2 | F2256 A2267 S2268 V2273 V2292 S2315 F2319 Y2444 G2445 F2463 | F2256-F2317 HydrophobicContact CB-CB 4.2Å; F2256-F2317 WeakPolarHBondContact CD2-O 3.36Å; F2256-F2317 AromaticContact CE1-CD1 3.93Å; F2256-F2317 HydrophobicContact CE1-CD1 3.93Å; F2256-F2317 WeakPolarHBondContact CG-O 3.39Å; F2256-F2317 AromaticContact CZ-CD1 3.64Å; F2256-F2317 HydrophobicContact CZ-CD1 3.64Å; F2256-F2317 HydrophobicContact CZ-CE1 4.17Å; F2256-F2317 HydrophobicContact CZ-CG 4.36Å; A2267-F2317 HydrophobicContact CB-CB 3.74Å; A2267-F2317 HydrophobicContact CB-CD1 3.81Å; A2267-F2317 HydrophobicContact CB-CD2 3.78Å; A2267-F2317 HydrophobicContact CB-CE1 4.31Å; A2267-F2317 HydrophobicContact CB-CE2 4.29Å; A2267-F2317 HydrophobicContact CB-CG 3.5Å; A2267-F2317 VanDerWaalsContact CB-CG 3.5Å; A2267-F2317 HydrophobicContact CB-CZ 4.5Å; S2268-F2317 WeakPolarHBondContact O-CE2 2.79Å; V2273-F2317 HydrophobicContact CG2-CD1 4.02Å; V2273-F2317 HydrophobicContact CG2-CE1 3.56Å; V2273-F2317 HydrophobicContact CG2-CZ 4.27Å; V2292-F2317 HydrophobicContact CB-CE1 4.43Å; V2292-F2317 HydrophobicContact CG2-CE1 4.23Å; S2315-F2317 VanDerWaalsContact OG-CE2 3.31Å; S2315-F2317 WeakPolarHBondContact OG-CE2 3.49Å; F2317-F2319 HydrophobicContact CB-CD2 4.44Å; F2317-F2319 HydrophobicContact CB-CE2 3.46Å; F2317-F2319 VanDerWaalsContact CB-CE2 3.42Å; F2317-F2319 HydrophobicContact CB-CZ 3.53Å; F2317-F2319 VanDerWaalsContact CB-CZ 3.47Å; F2317-F2319 HydrophobicContact CD1-CZ 4.29Å; F2317-F2319 HydrophobicContact CG-CE2 4.42Å; F2317-F2319 HydrophobicContact CG-CZ 4.19Å; F2317-Y2444 CarbonylContact O-C 3.53Å; F2317-Y2444 VanDerWaalsContact O-CA 3.23Å; F2317-Y2444 WeakPolarHBondContact O-CA 3.37Å; F2317-G2445 PolarHBondContact N-O 3Å; F2317-G2445 PolarHBondContact O-N 3.31Å; F2317-F2463 AromaticContact CD2-CE2 3.95Å; F2317-F2463 HydrophobicContact CD2-CE2 3.95Å; F2317-F2463 HydrophobicContact CE2-CE2 4.25Å |
| 2318 | M | 57.1 | Low | 46.5 | Very low | 6.66667 Ų | 6.66667 | 79 Ų | 79 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.5 | 170.6 | -149.2 | -171.2 | -28.3 | 0 | 0 | 108.4 | V1987 A1988 M1989 V1996 F2256 E2258 L2265 A2267 V2273 F2316 I2442 V2443 Y2444 | V1987-M2318 HydrophobicContact CB-CE 4.45Å; V1987-M2318 HydrophobicContact CG1-CE 3.56Å; V1987-M2318 HydrophobicContact CG1-SD 4.17Å; A1988-M2318 VanDerWaalsContact CA-SD 3.51Å; M1989-M2318 HydrophobicContact CB-CE 4Å; M1989-M2318 HydrophobicContact CB-SD 4.35Å; V1996-M2318 HydrophobicContact CG1-CE 4.09Å; F2256-M2318 HydrophobicContact CB-CB 4.28Å; F2256-M2318 HydrophobicContact CB-CE 4.11Å; F2256-M2318 HydrophobicContact CD1-CB 3.56Å; F2256-M2318 HydrophobicContact CD1-CG 4.36Å; F2256-M2318 HydrophobicContact CD1-SD 4.44Å; F2256-M2318 HydrophobicContact CE1-CB 3.77Å; F2256-M2318 HydrophobicContact CE1-CG 4.35Å; F2256-M2318 WeakPolarHBondContact CE1-O 3.25Å; F2256-M2318 HydrophobicContact CG-CB 4.34Å; F2256-M2318 WeakPolarHBondContact CZ-O 3.43Å; E2258-M2318 HydrophobicContact CB-CE 4.23Å; L2265-M2318 HydrophobicContact CB-CE 3.92Å; L2265-M2318 HydrophobicContact CB-SD 3.67Å; L2265-M2318 HydrophobicContact CD1-SD 3.84Å; L2265-M2318 HydrophobicContact CG-SD 4.43Å; L2265-M2318 WeakPolarHBondContact O-CE 3.36Å; A2267-M2318 HydrophobicContact CB-CB 4.29Å; A2267-M2318 HydrophobicContact CB-CE 3.45Å; A2267-M2318 HydrophobicContact CB-SD 3.84Å; V2273-M2318 HydrophobicContact CB-CE 4.34Å; V2273-M2318 HydrophobicContact CG1-CE 3.65Å; V2273-M2318 HydrophobicContact CG1-SD 4.07Å; V2273-M2318 HydrophobicContact CG2-CE 3.78Å; F2316-M2318 HydrophobicContact CE1-CB 4.08Å; M2318-I2442 HydrophobicContact CG-CG2 3.44Å; M2318-I2442 HydrophobicContact SD-CG2 4.09Å; M2318-V2443 CarbonylContact C-O 3.53Å; M2318-V2443 VanDerWaalsContact CA-O 3.26Å; M2318-V2443 WeakPolarHBondContact CA-O 3.17Å; M2318-Y2444 HydrophobicContact CB-CD1 4.17Å; M2318-Y2444 HydrophobicContact CB-CE1 4.06Å; M2318-Y2444 HydrophobicContact CE-CE1 3.38Å; M2318-Y2444 WeakPolarHBondContact CE-OH 3.15Å; M2318-Y2444 HydrophobicContact CG-CD1 4.11Å; M2318-Y2444 HydrophobicContact CG-CE1 3.62Å; M2318-Y2444 HydrophobicContact CG-CE2 4.44Å; M2318-Y2444 HydrophobicContact SD-CE1 3.93Å |
| 2319 | F | 60.4 | Low | 45.9 | Very low | 13.6667 Ų | 13.6667 | 78.1 Ų | 78.1 | 6% | 0.06 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.3 | 175.5 | -54.8 | -75.1 | 0 | 0 | 0 | 110 | V1987 M1989 F2256 E2258 L2265 A2267 V2273 F2317 I2442 V2443 | V1987-F2319 HydrophobicContact CB-CE1 4.45Å; V1987-F2319 HydrophobicContact CB-CE2 4.11Å; V1987-F2319 HydrophobicContact CB-CZ 3.57Å; V1987-F2319 HydrophobicContact CG1-CE1 4.35Å; V1987-F2319 HydrophobicContact CG1-CE2 3.65Å; V1987-F2319 HydrophobicContact CG1-CZ 3.5Å; V1987-F2319 WeakPolarHBondContact O-CE1 3.07Å; V1987-F2319 VanDerWaalsContact O-CZ 3.26Å; V1987-F2319 WeakPolarHBondContact O-CZ 3.39Å; M1989-F2319 HydrophobicContact CB-CB 4.08Å; M1989-F2319 HydrophobicContact CB-CD1 4.12Å; M1989-F2319 HydrophobicContact CB-CG 4.12Å; M1989-F2319 HydrophobicContact CE-CB 3.8Å; M1989-F2319 HydrophobicContact SD-CB 3.97Å; F2256-F2319 AromaticContact CD1-CD2 3.37Å; F2256-F2319 HydrophobicContact CD1-CD2 3.37Å; F2256-F2319 AromaticContact CD1-CE2 3.75Å; F2256-F2319 HydrophobicContact CD1-CE2 3.75Å; F2256-F2319 HydrophobicContact CD1-CG 4.37Å; F2256-F2319 HydrophobicContact CE1-CB 4.1Å; F2256-F2319 AromaticContact CE1-CD2 3.5Å; F2256-F2319 HydrophobicContact CE1-CD2 3.5Å; F2256-F2319 HydrophobicContact CE1-CE2 4.34Å; F2256-F2319 HydrophobicContact CE1-CG 4.17Å; F2256-F2319 VanDerWaalsContact CE1-N 3.33Å; E2258-F2319 HydrophobicContact CB-CB 3.69Å; E2258-F2319 HydrophobicContact CB-CD2 3.88Å; E2258-F2319 HydrophobicContact CB-CG 4.19Å; E2258-F2319 VanDerWaalsContact CD-O 3.3Å; E2258-F2319 HydrophobicContact CG-CB 4.09Å; E2258-F2319 VanDerWaalsContact OE2-C 3.24Å; E2258-F2319 WeakPolarHBondContact OE2-CA 3.36Å; E2258-F2319 WeakPolarHBondContact OE2-CB 3.45Å; E2258-F2319 PolarHBondContact OE2-N 3.02Å; L2265-F2319 HydrophobicContact CB-CD1 4.05Å; L2265-F2319 HydrophobicContact CB-CD2 3.83Å; L2265-F2319 HydrophobicContact CB-CE1 3.89Å; L2265-F2319 HydrophobicContact CB-CE2 3.7Å; L2265-F2319 HydrophobicContact CB-CG 4.05Å; L2265-F2319 HydrophobicContact CB-CZ 3.74Å; L2265-F2319 HydrophobicContact CD1-CB 4.35Å; L2265-F2319 HydrophobicContact CD1-CD1 3.3Å; L2265-F2319 HydrophobicContact CD1-CD2 4.45Å; L2265-F2319 HydrophobicContact CD1-CE1 3.61Å; L2265-F2319 HydrophobicContact CD1-CG 3.8Å; L2265-F2319 HydrophobicContact CD1-CZ 4.34Å; L2265-F2319 HydrophobicContact CG-CD1 4.3Å; L2265-F2319 HydrophobicContact CG-CE1 4.34Å; A2267-F2319 HydrophobicContact CB-CE2 3.81Å; A2267-F2319 HydrophobicContact CB-CZ 3.8Å; V2273-F2319 HydrophobicContact CB-CZ 4.39Å; V2273-F2319 HydrophobicContact CG1-CE1 3.75Å; V2273-F2319 HydrophobicContact CG1-CZ 3.54Å; V2273-F2319 HydrophobicContact CG2-CE1 4.35Å; V2273-F2319 HydrophobicContact CG2-CZ 3.97Å; F2317-F2319 HydrophobicContact CB-CD2 4.44Å; F2317-F2319 HydrophobicContact CB-CE2 3.46Å; F2317-F2319 VanDerWaalsContact CB-CE2 3.42Å; F2317-F2319 HydrophobicContact CB-CZ 3.53Å; F2317-F2319 VanDerWaalsContact CB-CZ 3.47Å; F2317-F2319 HydrophobicContact CD1-CZ 4.29Å; F2317-F2319 HydrophobicContact CG-CE2 4.42Å; F2317-F2319 HydrophobicContact CG-CZ 4.19Å; F2319-I2442 CarbonylContact O-C 3.53Å; F2319-I2442 VanDerWaalsContact O-CA 3.22Å; F2319-I2442 WeakPolarHBondContact O-CA 3.27Å; F2319-V2443 HydrophobicContact CB-CB 4.19Å; F2319-V2443 HydrophobicContact CD2-CB 4.22Å; F2319-V2443 HydrophobicContact CD2-CG1 4.45Å; F2319-V2443 WeakPolarHBondContact CD2-O 3.36Å; F2319-V2443 PolarHBondContact N-O 3Å; F2319-V2443 PolarHBondContact O-N 2.8Å |
| 2320 | Y | 59.2 | Low | 45.5 | Very low | 53.6667 Ų | 53.6667 | 77.7 Ų | 77.7 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.7 | 175.2 | 178.8 | -110.4 | 0 | 0 | 0 | 111.9 | M1989 P1991 A1993 E2258 V2260 G2322 C2440 | M1989-Y2320 HydrophobicContact CB-CD2 4.49Å; M1989-Y2320 HydrophobicContact CE-CD1 4.12Å; M1989-Y2320 HydrophobicContact CE-CD2 4.04Å; M1989-Y2320 HydrophobicContact CE-CG 3.49Å; M1989-Y2320 VanDerWaalsContact CE-CG 3.49Å; M1989-Y2320 WeakPolarHBondContact CE-O 3.44Å; P1991-Y2320 WeakPolarHBondContact CA-OH 3.49Å; P1991-Y2320 PolarHBondContact O-OH 2.74Å; A1993-Y2320 HydrophobicContact CB-CD1 3.4Å; A1993-Y2320 VanDerWaalsContact CB-CD1 3.4Å; A1993-Y2320 HydrophobicContact CB-CE1 3.45Å; A1993-Y2320 VanDerWaalsContact CB-CE1 3.45Å; A1993-Y2320 HydrophobicContact CB-CG 4.41Å; E2258-Y2320 WeakPolarHBondContact OE1-CB 3.44Å; E2258-Y2320 PolarHBondContact OE1-N 3.46Å; E2258-Y2320 PolarHBondContact OE2-N 3.3Å; V2260-Y2320 HydrophobicContact CB-CD2 4.15Å; V2260-Y2320 HydrophobicContact CB-CE2 4.25Å; V2260-Y2320 HydrophobicContact CG1-CD2 3.94Å; V2260-Y2320 HydrophobicContact CG1-CE2 3.69Å; V2260-Y2320 HydrophobicContact CG2-CD2 3.53Å; V2260-Y2320 VanDerWaalsContact CG2-CD2 3.45Å; V2260-Y2320 HydrophobicContact CG2-CE2 4.12Å; V2260-Y2320 HydrophobicContact CG2-CG 4.1Å; Y2320-G2322 WeakPolarHBondContact CE1-O 3.23Å; Y2320-G2322 VanDerWaalsContact CZ-CA 3.5Å; Y2320-G2322 VanDerWaalsContact OH-CA 3.26Å; Y2320-G2322 WeakPolarHBondContact OH-CA 3.37Å; Y2320-G2322 PolarHBondContact OH-O 3.16Å; Y2320-C2440 HydrophobicContact CE2-CB 4.11Å; Y2320-C2440 PolarHBondContact OH-SG 2.83Å |
| 2321 | A | 50.3 | Low | 44.9 | Very low | 10 Ų | 10 | 81.2 Ų | 81.2 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 106.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1989 A1993 V2260 Y2323 R2441 | M1989-A2321 VanDerWaalsContact CE-CA 3.49Å; M1989-A2321 HydrophobicContact CE-CB 3.69Å; M1989-A2321 VanDerWaalsContact CE-N 3.29Å; A1993-A2321 VanDerWaalsContact CB-CA 3.46Å; A1993-A2321 HydrophobicContact CB-CB 3.41Å; V2260-A2321 HydrophobicContact CG1-CB 4.07Å; V2260-A2321 HydrophobicContact CG2-CB 4.32Å; A2321-Y2323 PolarHBondContact O-N 3.4Å; A2321-R2441 WeakPolarHBondContact CA-O 3.34Å; A2321-R2441 HydrophobicContact CB-CB 3.79Å; A2321-R2441 HydrophobicContact CB-CG 4.27Å; A2321-R2441 WeakPolarHBondContact CB-O 3.2Å; A2321-R2441 PolarHBondContact N-O 3.46Å; A2321-R2441 PolarHBondContact O-N 3.28Å |
| 2322 | G | 47.8 | Very low | 44.3 | Very low | 17 Ų | 17 | 84.2 Ų | 84.2 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | trans | -114.6 | 121.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y2320 D2324 | Y2320-G2322 WeakPolarHBondContact CE1-O 3.23Å; Y2320-G2322 VanDerWaalsContact CZ-CA 3.5Å; Y2320-G2322 VanDerWaalsContact OH-CA 3.26Å; Y2320-G2322 WeakPolarHBondContact OH-CA 3.37Å; Y2320-G2322 PolarHBondContact OH-O 3.16Å; G2322-D2324 PolarHBondContact O-N 2.98Å | ||
| 2323 | Y | 42.6 | Very low | 43.5 | Very low | 171 Ų | 171 | 85.6 Ų | 85.6 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | trans | -100.3 | 124 | 161.9 | -134.2 | -93.7 | 0 | 0 | 0 | 107.8 | A2321 P2325 K2327 | A2321-Y2323 PolarHBondContact O-N 3.4Å; Y2323-P2325 WeakPolarHBondContact O-CD 3.29Å; Y2323-P2325 VanDerWaalsContact O-N 3.14Å; Y2323-K2327 WeakPolarHBondContact OH-CD 3.48Å; Y2323-K2327 WeakPolarHBondContact OH-CE 3.29Å; Y2323-K2327 PolarHBondContact OH-NZ 3.45Å | ||
| 2324 | D | 39.4 | Very low | 42.7 | Very low | 94.3333 Ų | 94.3333 | 89.2 Ų | 89.2 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | trans | -77.4 | 108.3 | 172 | -160.6 | -5.9 | 0 | 0 | 0 | 108.2 | G2322 L2326 | G2322-D2324 PolarHBondContact O-N 2.98Å; D2324-L2326 PolarHBondContact O-N 3.05Å; D2324-L2326 VanDerWaalsContact O-N 3.08Å; D2324-L2326 WeakPolarHBondContact OD1-CB 3.42Å; D2324-L2326 WeakPolarHBondContact OD1-CD1 3.4Å; D2324-L2326 PolarHBondContact OD1-N 2.94Å | ||
| 2325 | P | 34.4 | Very low | 41.9 | Very low | 97.3333 Ų | 97.3333 | 89.8 Ų | 89.8 | 63% | 0.632 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.6 | -8.3 | -178 | 26.5 | -30.3 | 0 | 0 | 0 | 112.8 | Y2323 K2327 F2328 | Y2323-P2325 WeakPolarHBondContact O-CD 3.29Å; Y2323-P2325 VanDerWaalsContact O-N 3.14Å; P2325-K2327 VanDerWaalsContact C-N 3.31Å; P2325-K2327 PolarHBondContact O-N 3.1Å; P2325-F2328 PolarHBondContact O-N 3.35Å; P2325-F2328 VanDerWaalsContact O-N 3.1Å |
| 2326 | L | 34.3 | Very low | 41.2 | Very low | 117.667 Ų | 117.667 | 93 Ų | 93 | 62% | 0.616 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -78.6 | 12.1 | -176.1 | -77.5 | 160.3 | 0 | 0 | 0 | 115 | D2324 F2328 E2329 | D2324-L2326 PolarHBondContact O-N 3.05Å; D2324-L2326 VanDerWaalsContact O-N 3.08Å; D2324-L2326 WeakPolarHBondContact OD1-CB 3.42Å; D2324-L2326 WeakPolarHBondContact OD1-CD1 3.4Å; D2324-L2326 PolarHBondContact OD1-N 2.94Å; L2326-F2328 HydrophobicContact CD2-CE2 4.27Å; L2326-F2328 CarbonylContact O-C 3.12Å; L2326-F2328 WeakPolarHBondContact O-CD2 3.31Å; L2326-F2328 PolarHBondContact O-N 2.87Å; L2326-F2328 VanDerWaalsContact O-N 3.14Å; L2326-E2329 PolarHBondContact O-N 3.31Å |
| 2327 | K | 33.5 | Very low | 40.6 | Very low | 166 Ų | 166 | 98.2 Ų | 98.2 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -73.1 | 20.4 | 164.6 | -82.9 | -167.5 | -178.2 | 171.7 | 0 | 112.6 | Y2323 P2325 E2329 | Y2323-K2327 WeakPolarHBondContact OH-CD 3.48Å; Y2323-K2327 WeakPolarHBondContact OH-CE 3.29Å; Y2323-K2327 PolarHBondContact OH-NZ 3.45Å; P2325-K2327 VanDerWaalsContact C-N 3.31Å; P2325-K2327 PolarHBondContact O-N 3.1Å; K2327-E2329 PolarHBondContact O-N 3.41Å |
| 2328 | F | 31.8 | Very low | 39.7 | Very low | 166 Ų | 166 | 104.2 Ų | 104.2 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -80.9 | 99.5 | 156.4 | -74.2 | -83.3 | 0 | 0 | 0 | 106.8 | P2325 L2326 P2330 | P2325-F2328 PolarHBondContact O-N 3.35Å; P2325-F2328 VanDerWaalsContact O-N 3.1Å; L2326-F2328 HydrophobicContact CD2-CE2 4.27Å; L2326-F2328 CarbonylContact O-C 3.12Å; L2326-F2328 WeakPolarHBondContact O-CD2 3.31Å; L2326-F2328 PolarHBondContact O-N 2.87Å; L2326-F2328 VanDerWaalsContact O-N 3.14Å; F2328-P2330 WeakPolarHBondContact O-CD 3.4Å |
| 2329 | E | 27 | Very low | 38.8 | Very low | 174 Ų | 174 | 106.9 Ų | 106.9 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | trans | -50.4 | 108.4 | 166.1 | -75.2 | -177.2 | 161.7 | 0 | 0 | 107.2 | L2326 K2327 T2331 | L2326-E2329 PolarHBondContact O-N 3.31Å; K2327-E2329 PolarHBondContact O-N 3.41Å; E2329-T2331 VanDerWaalsContact C-N 3.3Å; E2329-T2331 PolarHBondContact O-N 3.32Å; E2329-T2331 VanDerWaalsContact O-N 3.16Å | ||
| 2330 | P | 32.9 | Very low | 37.9 | Very low | 90.6667 Ų | 90.6667 | 110 Ų | 110 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | trans | -70.8 | 111.5 | 163.4 | 14.3 | 0.1 | 0 | 0 | 0 | 103 | F2328 L2332 | F2328-P2330 WeakPolarHBondContact O-CD 3.4Å; P2330-L2332 VanDerWaalsContact C-N 3.31Å; P2330-L2332 HydrophobicContact CB-CD1 3.99Å; P2330-L2332 HydrophobicContact CB-CG 4.24Å; P2330-L2332 HydrophobicContact CG-CD1 3.94Å; P2330-L2332 PolarHBondContact O-N 3.04Å | ||
| 2331 | T | 29.5 | Very low | 37.1 | Very low | 118.667 Ų | 118.667 | 111.4 Ų | 111.4 | 73% | 0.728 | 58% | 0.579 | S | S | * | * | trans | -55.2 | 91.1 | 162.5 | 42.5 | 0 | 0 | 0 | 0 | 106.7 | E2329 H2333 | E2329-T2331 VanDerWaalsContact C-N 3.3Å; E2329-T2331 PolarHBondContact O-N 3.32Å; E2329-T2331 VanDerWaalsContact O-N 3.16Å; T2331-H2333 PolarHBondContact O-N 3.27Å | ||
| 2332 | L | 32.8 | Very low | 36.8 | Very low | 141.667 Ų | 141.667 | 118.6 Ų | 118.6 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | trans | -65.9 | 84 | 170.3 | -90 | 140.7 | 0 | 0 | 0 | 105.4 | P2330 D2334 | P2330-L2332 VanDerWaalsContact C-N 3.31Å; P2330-L2332 HydrophobicContact CB-CD1 3.99Å; P2330-L2332 HydrophobicContact CB-CG 4.24Å; P2330-L2332 HydrophobicContact CG-CD1 3.94Å; P2330-L2332 PolarHBondContact O-N 3.04Å; L2332-D2334 VanDerWaalsContact C-N 3.31Å; L2332-D2334 PolarHBondContact O-N 3.21Å | ||
| 2333 | H | 29.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | trans | -64.3 | 109.1 | 150.5 | -81 | -57.9 | 0 | 0 | 0 | 105.4 | T2331 P2335 | T2331-H2333 PolarHBondContact O-N 3.27Å; H2333-P2335 VanDerWaalsContact O-CD 3.25Å; H2333-P2335 WeakPolarHBondContact O-CD 3.1Å | ||
| 2334 | D | 31.6 | Very low | 36.4 | Very low | 140.667 Ų | 140.667 | 122 Ų | 122 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -41.1 | 111.7 | 168 | -76.2 | -37.7 | 0 | 0 | 0 | 107.8 | L2332 T2336 | L2332-D2334 VanDerWaalsContact C-N 3.31Å; L2332-D2334 PolarHBondContact O-N 3.21Å; D2334-T2336 VanDerWaalsContact C-N 3.32Å; D2334-T2336 PolarHBondContact O-N 3.13Å | ||
| 2335 | P | 34.7 | Very low | 36.6 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 51% | 0.506 | 64% | 0.637 | S | S | . | * | trans | -67.5 | 107.8 | -176.7 | 25.6 | -30.2 | 0 | 0 | 0 | 106.1 | H2333 I2340 | H2333-P2335 VanDerWaalsContact O-CD 3.25Å; H2333-P2335 WeakPolarHBondContact O-CD 3.1Å; P2335-I2340 HydrophobicContact CB-CG1 4.35Å; P2335-I2340 HydrophobicContact CG-CD1 4.45Å | ||
| 2336 | T | 38.3 | Very low | 36.8 | Very low | 89.6667 Ų | 89.6667 | 123 Ų | 123 | 55% | 0.55 | 64% | 0.637 | S | S | * | * | trans | -55.6 | 149.9 | 173 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | D2334 E2338 T2339 I2340 | D2334-T2336 VanDerWaalsContact C-N 3.32Å; D2334-T2336 PolarHBondContact O-N 3.13Å; T2336-E2338 CarbonylContact O-C 3.59Å; T2336-E2338 PolarHBondContact O-N 2.86Å; T2336-T2339 PolarHBondContact N-OG1 3.45Å; T2336-T2339 VanDerWaalsContact N-OG1 3.16Å; T2336-T2339 PolarHBondContact O-N 3.22Å; T2336-T2339 PolarHBondContact O-OG1 3.12Å; T2336-T2339 PolarHBondContact OG1-OG1 3.04Å; T2336-I2340 PolarHBondContact O-N 3.1Å | ||
| 2337 | I | 46.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 68% | 0.677 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.3 | -27.8 | -178.9 | -71.6 | 162.9 | 0 | 0 | 0 | 111.9 | I2340 N2341 | I2337-I2340 PolarHBondContact O-N 3.06Å; I2337-N2341 WeakPolarHBondContact O-CB 3.38Å; I2337-N2341 PolarHBondContact O-N 3.09Å; I2337-N2341 PolarHBondContact O-ND2 3.03Å |
| 2338 | E | 39.6 | Very low | 36.9 | Very low | 143.667 Ų | 143.667 | 120.1 Ų | 120.1 | 67% | 0.671 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.9 | -40.2 | 172 | -85.9 | -171.8 | 142.6 | 0 | 0 | 114.4 | T2336 I2340 N2341 K2342 | T2336-E2338 CarbonylContact O-C 3.59Å; T2336-E2338 PolarHBondContact O-N 2.86Å; E2338-I2340 VanDerWaalsContact C-N 3.34Å; E2338-N2341 PolarHBondContact O-N 3.29Å; E2338-K2342 WeakPolarHBondContact O-CB 3.32Å; E2338-K2342 WeakPolarHBondContact O-CG 3.41Å; E2338-K2342 PolarHBondContact O-N 3.04Å |
| 2339 | T | 39.3 | Very low | 37 | Very low | 64.3333 Ų | 64.3333 | 119.7 Ų | 119.7 | 40% | 0.395 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 177.9 | -2.8 | 0 | 0 | 0 | 0 | 111.4 | T2336 K2342 L2343 | T2336-T2339 PolarHBondContact N-OG1 3.45Å; T2336-T2339 VanDerWaalsContact N-OG1 3.16Å; T2336-T2339 PolarHBondContact O-N 3.22Å; T2336-T2339 PolarHBondContact O-OG1 3.12Å; T2336-T2339 PolarHBondContact OG1-OG1 3.04Å; T2339-K2342 PolarHBondContact O-N 2.96Å; T2339-L2343 PolarHBondContact O-N 2.78Å; T2339-L2343 VanDerWaalsContact O-N 3.15Å |
| 2340 | I | 40.4 | Very low | 37.2 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 40% | 0.4 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.5 | -41.9 | 175 | -60.6 | 176 | 0 | 0 | 0 | 110.3 | P2335 T2336 I2337 E2338 L2343 M2344 | P2335-I2340 HydrophobicContact CB-CG1 4.35Å; P2335-I2340 HydrophobicContact CG-CD1 4.45Å; T2336-I2340 PolarHBondContact O-N 3.1Å; I2337-I2340 PolarHBondContact O-N 3.06Å; E2338-I2340 VanDerWaalsContact C-N 3.34Å; I2340-L2343 PolarHBondContact O-N 2.93Å; I2340-M2344 VanDerWaalsContact O-CG 3.29Å; I2340-M2344 WeakPolarHBondContact O-CG 3.25Å; I2340-M2344 PolarHBondContact O-N 3.2Å; I2340-M2344 VanDerWaalsContact O-N 3.11Å |
| 2341 | N | 43.2 | Very low | 37.1 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 44% | 0.444 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.3 | -38.4 | 177.5 | -75.7 | -18.2 | 0 | 0 | 0 | 112.4 | I2337 E2338 L2343 M2344 I2345 | I2337-N2341 WeakPolarHBondContact O-CB 3.38Å; I2337-N2341 PolarHBondContact O-N 3.09Å; I2337-N2341 PolarHBondContact O-ND2 3.03Å; E2338-N2341 PolarHBondContact O-N 3.29Å; N2341-L2343 VanDerWaalsContact C-N 3.33Å; N2341-L2343 PolarHBondContact O-N 3.16Å; N2341-M2344 PolarHBondContact O-N 3.19Å; N2341-I2345 HydrophobicContact CB-CD1 4.38Å; N2341-I2345 WeakPolarHBondContact O-CB 3.37Å; N2341-I2345 WeakPolarHBondContact O-CD1 3.36Å; N2341-I2345 VanDerWaalsContact O-CG1 3.24Å; N2341-I2345 WeakPolarHBondContact O-CG1 3.34Å; N2341-I2345 PolarHBondContact O-N 2.88Å |
| 2342 | K | 42.5 | Very low | 37.2 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 70% | 0.704 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 174.2 | -80.7 | -178.1 | 177.3 | 176.7 | 0 | 112.7 | E2338 T2339 M2344 S2346 | E2338-K2342 WeakPolarHBondContact O-CB 3.32Å; E2338-K2342 WeakPolarHBondContact O-CG 3.41Å; E2338-K2342 PolarHBondContact O-N 3.04Å; T2339-K2342 PolarHBondContact O-N 2.96Å; K2342-M2344 VanDerWaalsContact C-N 3.35Å; K2342-S2346 PolarHBondContact O-N 3.29Å |
| 2343 | L | 42 | Very low | 37.1 | Very low | 133.333 Ų | 133.333 | 125.9 Ų | 125.9 | 70% | 0.698 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.4 | -26.4 | 175.1 | -82.4 | 161 | 0 | 0 | 0 | 113.3 | T2339 I2340 N2341 S2346 | T2339-L2343 PolarHBondContact O-N 2.78Å; T2339-L2343 VanDerWaalsContact O-N 3.15Å; I2340-L2343 PolarHBondContact O-N 2.93Å; N2341-L2343 VanDerWaalsContact C-N 3.33Å; N2341-L2343 PolarHBondContact O-N 3.16Å; L2343-S2346 PolarHBondContact O-OG 3.17Å |
| 2344 | M | 41 | Very low | 37.1 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.2 | -32.1 | 177.6 | -77.3 | -75.7 | -140 | 0 | 0 | 113.3 | I2340 N2341 K2342 S2346 | I2340-M2344 VanDerWaalsContact O-CG 3.29Å; I2340-M2344 WeakPolarHBondContact O-CG 3.25Å; I2340-M2344 PolarHBondContact O-N 3.2Å; I2340-M2344 VanDerWaalsContact O-N 3.11Å; N2341-M2344 PolarHBondContact O-N 3.19Å; K2342-M2344 VanDerWaalsContact C-N 3.35Å; M2344-S2346 VanDerWaalsContact C-N 3.31Å; M2344-S2346 PolarHBondContact O-N 3.13Å |
| 2345 | I | 44.5 | Very low | 37 | Very low | 121.667 Ų | 121.667 | 125.3 Ų | 125.3 | 62% | 0.624 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.3 | -16.5 | -175.3 | -65.9 | 165.1 | 0 | 0 | 0 | 112.3 | N2341 N2347 A2348 | N2341-I2345 HydrophobicContact CB-CD1 4.38Å; N2341-I2345 WeakPolarHBondContact O-CB 3.37Å; N2341-I2345 WeakPolarHBondContact O-CD1 3.36Å; N2341-I2345 VanDerWaalsContact O-CG1 3.24Å; N2341-I2345 WeakPolarHBondContact O-CG1 3.34Å; N2341-I2345 PolarHBondContact O-N 2.88Å; I2345-N2347 PolarHBondContact O-N 3.29Å; I2345-A2348 PolarHBondContact O-N 3.05Å; I2345-A2348 VanDerWaalsContact O-N 3.14Å |
| 2346 | S | 37.5 | Very low | 36.9 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 6.2 | 177.3 | 65 | 0 | 0 | 0 | 0 | 115.2 | K2342 L2343 M2344 | K2342-S2346 PolarHBondContact O-N 3.29Å; L2343-S2346 PolarHBondContact O-OG 3.17Å; M2344-S2346 VanDerWaalsContact C-N 3.31Å; M2344-S2346 PolarHBondContact O-N 3.13Å |
| 2347 | N | 35.6 | Very low | 36.7 | Very low | 154.667 Ų | 154.667 | 131.5 Ų | 131.5 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 11.3 | 176.6 | -82.6 | -12.1 | 0 | 0 | 0 | 115.2 | I2345 | I2345-N2347 PolarHBondContact O-N 3.29Š|
| 2348 | A | 34.5 | Very low | 36 | Very low | 69.6667 Ų | 69.6667 | 133.1 Ų | 133.1 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -131.9 | 115.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | I2345 | I2345-A2348 PolarHBondContact O-N 3.05Å; I2345-A2348 VanDerWaalsContact O-N 3.14Å |
| 2349 | D | 33.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | 88.2 | 73 | 165.3 | -58.2 | -21.2 | 0 | 0 | 0 | 115.4 | Q2351 | D2349-Q2351 VanDerWaalsContact C-N 3.34Å; D2349-Q2351 PolarHBondContact O-N 3.24Å | ||
| 2350 | N | 31.8 | Very low | 35.2 | Very low | 166.667 Ų | 166.667 | 137.6 Ų | 137.6 | 89% | 0.891 | 73% | 0.726 | S | S | * | * | trans | -90.7 | 88.7 | 151.2 | -84 | -30.5 | 0 | 0 | 0 | 109.7 | ||||
| 2351 | Q | 31 | Very low | 34.9 | Very low | 173.333 Ų | 173.333 | 137.2 Ų | 137.2 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | -128.7 | 109.1 | 153 | -82.2 | -178.5 | 11.9 | 0 | 0 | 108.8 | D2349 T2353 | D2349-Q2351 VanDerWaalsContact C-N 3.34Å; D2349-Q2351 PolarHBondContact O-N 3.24Å; Q2351-T2353 PolarHBondContact O-N 3.27Å | ||
| 2352 | H | 31.6 | Very low | 34.7 | Very low | 182.667 Ų | 182.667 | 138.2 Ų | 138.2 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 50.4 | 110.1 | 158.7 | -70.6 | -70.3 | 0 | 0 | 0 | 114 | ||||
| 2353 | T | 30.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -138.4 | 134.5 | 133 | 32.2 | 0 | 0 | 0 | 0 | 109.6 | Q2351 S2355 | Q2351-T2353 PolarHBondContact O-N 3.27Å; T2353-S2355 PolarHBondContact O-N 3.44Å | ||
| 2354 | E | 29.7 | Very low | 34.6 | Very low | 191.667 Ų | 191.667 | 131.1 Ų | 131.1 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | trans | -41.6 | 124.7 | 173.4 | -62.9 | 169.4 | 163.9 | 0 | 0 | 111 | ||||
| 2355 | S | 30.7 | Very low | 34.1 | Very low | 101.667 Ų | 101.667 | 133.2 Ų | 133.2 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | -146.6 | 105.6 | 124 | 56.2 | 0 | 0 | 0 | 0 | 107.8 | T2353 D2357 | T2353-S2355 PolarHBondContact O-N 3.44Å; S2355-D2357 VanDerWaalsContact C-N 3.31Å; S2355-D2357 PolarHBondContact O-N 3.33Å; S2355-D2357 VanDerWaalsContact O-N 3.09Å | |||
| 2356 | D | 32.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | -63.8 | 89.4 | 174.7 | -79.7 | -35 | 0 | 0 | 0 | 110.9 | Q2358 | D2356-Q2358 VanDerWaalsContact C-N 3.32Å; D2356-Q2358 PolarHBondContact O-N 3.25Å | ||
| 2357 | D | 32.9 | Very low | 33.4 | Very low | 146.333 Ų | 146.333 | 134.6 Ų | 134.6 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -77.9 | 94.4 | 160 | -83.5 | -25.4 | 0 | 0 | 0 | 108.5 | S2355 V2359 | S2355-D2357 VanDerWaalsContact C-N 3.31Å; S2355-D2357 PolarHBondContact O-N 3.33Å; S2355-D2357 VanDerWaalsContact O-N 3.09Å; D2357-V2359 VanDerWaalsContact C-N 3.28Å; D2357-V2359 PolarHBondContact O-N 3.1Å | ||
| 2358 | Q | 33.2 | Very low | 33.1 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -38.6 | 80.1 | 168.5 | -65 | -177.2 | 1.1 | 0 | 0 | 113.1 | D2356 K2360 | D2356-Q2358 VanDerWaalsContact C-N 3.32Å; D2356-Q2358 PolarHBondContact O-N 3.25Å; Q2358-K2360 PolarHBondContact O-N 3.27Å | ||
| 2359 | V | 32 | Very low | 32.8 | Very low | 136.667 Ų | 136.667 | 137.1 Ų | 137.1 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | trans | -73 | 96.8 | 156.8 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | D2357 D2361 | D2357-V2359 VanDerWaalsContact C-N 3.28Å; D2357-V2359 PolarHBondContact O-N 3.1Å; V2359-D2361 PolarHBondContact O-N 3.1Å; V2359-D2361 VanDerWaalsContact O-N 3.11Å | ||
| 2360 | K | 29.6 | Very low | 32.5 | Very low | 166.333 Ų | 166.333 | 134.9 Ų | 134.9 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | -53.8 | 118.1 | 174.6 | -76.9 | -178.1 | 175.6 | -179.8 | 0 | 109 | Q2358 P2362 | Q2358-K2360 PolarHBondContact O-N 3.27Å; K2360-P2362 VanDerWaalsContact O-CD 3.3Å; K2360-P2362 WeakPolarHBondContact O-CD 3.43Å; K2360-P2362 VanDerWaalsContact O-N 3.16Å | ||
| 2361 | D | 33.6 | Very low | 32.4 | Very low | 69.3333 Ų | 69.3333 | 130.4 Ų | 130.4 | 37% | 0.371 | 73% | 0.732 | S | S | . | * | trans | -57 | 117.5 | 173.6 | -172.3 | 4 | 0 | 0 | 0 | 108.7 | V2359 D2363 S2364 | V2359-D2361 PolarHBondContact O-N 3.1Å; V2359-D2361 VanDerWaalsContact O-N 3.11Å; D2361-D2363 PolarHBondContact O-N 3.36Å; D2361-D2363 WeakPolarHBondContact OD1-CB 3.34Å; D2361-D2363 PolarHBondContact OD1-N 3.21Å; D2361-S2364 WeakPolarHBondContact O-CB 3.46Å; D2361-S2364 PolarHBondContact O-N 3.05Å; D2361-S2364 PolarHBondContact O-OG 3.04Å | ||
| 2362 | P | 38.4 | Very low | 32.1 | Very low | 104.667 Ų | 104.667 | 128.3 Ų | 128.3 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -8.9 | 177.9 | 24.5 | -32.5 | 0 | 0 | 0 | 112.7 | K2360 | K2360-P2362 VanDerWaalsContact O-CD 3.3Å; K2360-P2362 WeakPolarHBondContact O-CD 3.43Å; K2360-P2362 VanDerWaalsContact O-N 3.16Å |
| 2363 | D | 41.3 | Very low | 31.8 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 36% | 0.358 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -4.4 | 172.5 | -74.5 | -23.9 | 0 | 0 | 0 | 114.2 | K2146 D2361 | K2146-D2363 VanDerWaalsContact NZ-CB 3.26Å; K2146-D2363 IonicContact NZ-OD1 2.84Å; K2146-D2363 PolarHBondContact NZ-OD1 3.23Å; K2146-D2363 IonicContact NZ-OD2 2.69Å; K2146-D2363 PolarHBondContact NZ-OD2 3.06Å; D2361-D2363 PolarHBondContact O-N 3.36Å; D2361-D2363 WeakPolarHBondContact OD1-CB 3.34Å; D2361-D2363 PolarHBondContact OD1-N 3.21Å |
| 2364 | S | 41.3 | Very low | 31.5 | Very low | 79.3333 Ų | 79.3333 | 127.5 Ų | 127.5 | 56% | 0.555 | 74% | 0.737 | S | S | * | * | trans | -83.1 | -13.3 | -179 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | D2361 V2366 | D2361-S2364 WeakPolarHBondContact O-CB 3.46Å; D2361-S2364 PolarHBondContact O-N 3.05Å; D2361-S2364 PolarHBondContact O-OG 3.04Å; S2364-V2366 VanDerWaalsContact C-N 3.29Å; S2364-V2366 PolarHBondContact O-N 2.96Å; S2364-V2366 VanDerWaalsContact O-N 3.1Å | ||
| 2365 | E | 31.5 | Very low | 31.3 | Very low | 170.667 Ų | 170.667 | 123.4 Ų | 123.4 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | trans | -84.9 | 66.1 | 172.9 | -69.3 | -170 | 171.7 | 0 | 0 | 111.4 | ||||
| 2366 | V | 36.2 | Very low | 31.1 | Very low | 119.667 Ų | 119.667 | 123.5 Ų | 123.5 | 73% | 0.725 | 73% | 0.73 | S | S | * | * | trans | -118.2 | 95.3 | 153.2 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | S2364 S2368 | S2364-V2366 VanDerWaalsContact C-N 3.29Å; S2364-V2366 PolarHBondContact O-N 2.96Å; S2364-V2366 VanDerWaalsContact O-N 3.1Å; V2366-S2368 PolarHBondContact O-N 3.19Å | ||
| 2367 | T | 30.8 | Very low | 30.8 | Very low | 119.667 Ų | 119.667 | 121.5 Ų | 121.5 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -44.9 | 119.2 | 176.6 | 37.1 | 0 | 0 | 0 | 0 | 111 | L2369 | T2367-L2369 VanDerWaalsContact C-N 3.31Å; T2367-L2369 PolarHBondContact O-N 3.12Å | ||
| 2368 | S | 28.2 | Very low | 30.6 | Very low | 106.667 Ų | 106.667 | 121.7 Ų | 121.7 | 75% | 0.746 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 95.7 | 167.2 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | V2366 S2370 | V2366-S2368 PolarHBondContact O-N 3.19Å; S2368-S2370 PolarHBondContact O-N 3.14Å | ||
| 2369 | L | 29.4 | Very low | 30.2 | Very low | 170.667 Ų | 170.667 | 118.3 Ų | 118.3 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -71.5 | 81.8 | 162.4 | -89.4 | 152.6 | 0 | 0 | 0 | 107.8 | T2367 G2371 | T2367-L2369 VanDerWaalsContact C-N 3.31Å; T2367-L2369 PolarHBondContact O-N 3.12Å; L2369-G2371 PolarHBondContact O-N 3.13Å | ||
| 2370 | S | 26.8 | Very low | 30 | Very low | 110.333 Ų | 110.333 | 123 Ų | 123 | 77% | 0.772 | 73% | 0.727 | S | S | * | * | trans | -69.2 | 118.3 | 164.3 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | S2368 | S2368-S2370 PolarHBondContact O-N 3.14Š| ||
| 2371 | G | 29.6 | Very low | 29.8 | Very low | 73.6667 Ų | 73.6667 | 121.3 Ų | 121.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 152.4 | 87.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2369 C2373 | L2369-G2371 PolarHBondContact O-N 3.13Å; G2371-C2373 PolarHBondContact O-N 3.33Å | ||
| 2372 | C | 25 | Very low | 29.5 | Very low | 127.333 Ų | 127.333 | 124.5 Ų | 124.5 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -76.1 | 136.2 | 148.5 | -95.4 | 0 | 0 | 0 | 0 | 112.3 | M2374 | C2372-M2374 PolarHBondContact O-N 3.39Š| ||
| 2373 | C | 25.3 | Very low | 29 | Very low | 119.333 Ų | 119.333 | 122.8 Ų | 122.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | 159.6 | 115.8 | 145.7 | -71.8 | 0 | 0 | 0 | 0 | 113.4 | G2371 S2375 | G2371-C2373 PolarHBondContact O-N 3.33Å; C2373-S2375 PolarHBondContact O-N 2.95Å | ||
| 2374 | M | 24.3 | Very low | 28.3 | Very low | 180.333 Ų | 180.333 | 124.4 Ų | 124.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -124.7 | 106 | 150.2 | -73.5 | -101.7 | -156.2 | 0 | 0 | 111.7 | C2372 | C2372-M2374 PolarHBondContact O-N 3.39Š| ||
| 2375 | S | 24.8 | Very low | 27.7 | Very low | 104.333 Ų | 104.333 | 127.3 Ų | 127.3 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -1.2 | 125.2 | 141 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | C2373 | C2373-S2375 PolarHBondContact O-N 2.95Š| ||
| 2376 | S | 26.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 151.1 | 115.5 | 135.2 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | N2378 | S2376-N2378 PolarHBondContact O-N 3.16Š| ||
| 2377 | S | 26.9 | Very low | 27.1 | Very low | 108.667 Ų | 108.667 | 130.1 Ų | 130.1 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -19.9 | 118.5 | 150.1 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2378 | N | 27.3 | Very low | 26.8 | Very low | 150.667 Ų | 150.667 | 131.7 Ų | 131.7 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -152.1 | 118.3 | 145.2 | -94.6 | -22.6 | 0 | 0 | 0 | 111 | S2376 | S2376-N2378 PolarHBondContact O-N 3.16Š| ||
| 2379 | S | 26.3 | Very low | 26.7 | Very low | 93.6667 Ų | 93.6667 | 136.3 Ų | 136.3 | 66% | 0.655 | 79% | 0.791 | S | S | * | * | trans | 9.1 | 116.7 | 152.8 | 54.1 | 0 | 0 | 0 | 0 | 117.4 | V2381 | S2379-V2381 PolarHBondContact O-N 3.22Å; S2379-V2381 VanDerWaalsContact O-N 3.15Å | ||
| 2380 | Y | 25.8 | Very low | 26.4 | Very low | 235.333 Ų | 235.333 | 136.9 Ų | 136.9 | 92% | 0.923 | 79% | 0.789 | S | S | * | * | trans | -45.5 | 107.2 | 161 | -71.4 | -92.7 | 0 | 0 | 0 | 111.6 | ||||
| 2381 | V | 26.4 | Very low | 26.4 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 108.3 | 161.7 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | S2379 G2383 | S2379-V2381 PolarHBondContact O-N 3.22Å; S2379-V2381 VanDerWaalsContact O-N 3.15Å; V2381-G2383 VanDerWaalsContact C-N 3.29Å; V2381-G2383 PolarHBondContact O-N 3.02Å | ||
| 2382 | T | 27.7 | Very low | 26.2 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 87.8 | 170.1 | 46 | 0 | 0 | 0 | 0 | 108.9 | S2384 | T2382-S2384 PolarHBondContact O-N 3.27Å; T2382-S2384 VanDerWaalsContact O-N 3.17Å | ||
| 2383 | G | 27.3 | Very low | 26.2 | Very low | 70.3333 Ų | 70.3333 | 140.5 Ų | 140.5 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 109.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V2381 | V2381-G2383 VanDerWaalsContact C-N 3.29Å; V2381-G2383 PolarHBondContact O-N 3.02Å | ||
| 2384 | S | 26.2 | Very low | 26 | Very low | 99.6667 Ų | 99.6667 | 144.3 Ų | 144.3 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 151.8 | 167.2 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | T2382 | T2382-S2384 PolarHBondContact O-N 3.27Å; T2382-S2384 VanDerWaalsContact O-N 3.17Å | ||
| 2385 | D | 28.4 | Very low | 26 | Very low | 140.333 Ų | 140.333 | 143 Ų | 143 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 102.4 | 156.2 | -54.3 | -25.6 | 0 | 0 | 0 | 118.9 | ||||
| 2386 | Q | 28.3 | Very low | 26 | Very low | 181.667 Ų | 181.667 | 146 Ų | 146 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | 170.7 | 101.2 | 130.5 | -89.3 | 173.3 | 20 | 0 | 0 | 112.7 | I2388 | Q2386-I2388 PolarHBondContact O-N 3.34Š| ||
| 2387 | E | 27.4 | Very low | 26 | Very low | 167.667 Ų | 167.667 | 146.3 Ų | 146.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 112.2 | 149 | -78.6 | 177.7 | 175.1 | 0 | 0 | 112.4 | Y2389 | E2387-Y2389 HydrophobicContact CB-CE2 4.39Å; E2387-Y2389 WeakPolarHBondContact O-CD2 3.33Å; E2387-Y2389 PolarHBondContact O-N 3.08Å | ||
| 2388 | I | 24.5 | Very low | 26 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -86.4 | 96.8 | 167.8 | -59.6 | 170.2 | 0 | 0 | 0 | 106.7 | Q2386 E2390 | Q2386-I2388 PolarHBondContact O-N 3.34Å; I2388-E2390 HydrophobicContact CG2-CG 4.48Å; I2388-E2390 PolarHBondContact O-N 3.25Å | ||
| 2389 | Y | 25.8 | Very low | 26 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -85.1 | 98.3 | 165.6 | -75.2 | -83.2 | 0 | 0 | 0 | 108.7 | E2387 C2391 | E2387-Y2389 HydrophobicContact CB-CE2 4.39Å; E2387-Y2389 WeakPolarHBondContact O-CD2 3.33Å; E2387-Y2389 PolarHBondContact O-N 3.08Å; Y2389-C2391 PolarHBondContact O-N 3.02Å | ||
| 2390 | E | 24 | Very low | 26.2 | Very low | 183.333 Ų | 183.333 | 152.2 Ų | 152.2 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 106.2 | 164.4 | -81.7 | -177.9 | 152 | 0 | 0 | 109 | I2388 G2392 | I2388-E2390 HydrophobicContact CG2-CG 4.48Å; I2388-E2390 PolarHBondContact O-N 3.25Å; E2390-G2392 VanDerWaalsContact C-N 3.25Å; E2390-G2392 PolarHBondContact O-N 3.12Å | ||
| 2391 | C | 26 | Very low | 26.2 | Very low | 118.667 Ų | 118.667 | 149.5 Ų | 149.5 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 86.6 | 167 | -58.2 | 0 | 0 | 0 | 0 | 108.4 | Y2389 Y2393 | Y2389-C2391 PolarHBondContact O-N 3.02Å; C2391-Y2393 PolarHBondContact O-N 3.25Å; C2391-Y2393 VanDerWaalsContact O-N 3.11Å | ||
| 2392 | G | 25.4 | Very low | 26.5 | Very low | 66.3333 Ų | 66.3333 | 152.1 Ų | 152.1 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | -71 | 117.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E2390 K2394 | E2390-G2392 VanDerWaalsContact C-N 3.25Å; E2390-G2392 PolarHBondContact O-N 3.12Å; G2392-K2394 PolarHBondContact O-N 2.85Å | ||
| 2393 | Y | 24.9 | Very low | 26.4 | Very low | 201.667 Ų | 201.667 | 150.9 Ų | 150.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -87.6 | 100.7 | 164.2 | -70.4 | -87.8 | 0 | 0 | 0 | 108.8 | C2391 L2395 | C2391-Y2393 PolarHBondContact O-N 3.25Å; C2391-Y2393 VanDerWaalsContact O-N 3.11Å; Y2393-L2395 PolarHBondContact O-N 3.36Å; Y2393-L2395 VanDerWaalsContact O-N 3.09Å | ||
| 2394 | K | 22.6 | Very low | 26.5 | Very low | 199.667 Ų | 199.667 | 156.1 Ų | 156.1 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 101.5 | 164.8 | -89.3 | -176.2 | 174.6 | -179.9 | 0 | 108.2 | G2392 H2396 | G2392-K2394 PolarHBondContact O-N 2.85Å; K2394-H2396 PolarHBondContact O-N 3.35Å | ||
| 2395 | L | 24 | Very low | 26.4 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -76.7 | 109.2 | 162.4 | -96.2 | 130.4 | 0 | 0 | 0 | 107.8 | Y2393 V2397 | Y2393-L2395 PolarHBondContact O-N 3.36Å; Y2393-L2395 VanDerWaalsContact O-N 3.09Å; L2395-V2397 HydrophobicContact CB-CG2 4.49Å; L2395-V2397 PolarHBondContact O-N 2.98Å | ||
| 2396 | H | 23.6 | Very low | 26.4 | Very low | 165.333 Ų | 165.333 | 159.6 Ų | 159.6 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -69.5 | 110.1 | 164.1 | -103.7 | -82.5 | 0 | 0 | 0 | 107.5 | K2394 D2398 | K2394-H2396 PolarHBondContact O-N 3.35Å; H2396-D2398 IonicContact ND1-OD1 3.11Å | ||
| 2397 | V | 26.7 | Very low | 26.2 | Very low | 112.333 Ų | 112.333 | 156.6 Ų | 156.6 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | trans | -104.4 | 101 | 168.1 | -179.4 | 0 | 0 | 0 | 0 | 105.7 | L2395 I2399 | L2395-V2397 HydrophobicContact CB-CG2 4.49Å; L2395-V2397 PolarHBondContact O-N 2.98Å; V2397-I2399 HydrophobicContact CG1-CG1 4.27Å; V2397-I2399 PolarHBondContact O-N 3.08Å | ||
| 2398 | D | 27.9 | Very low | 26.1 | Very low | 139.667 Ų | 139.667 | 155.9 Ų | 155.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -69 | 112.7 | 172.5 | -72 | -33.1 | 0 | 0 | 0 | 108.3 | H2396 E2400 | H2396-D2398 IonicContact ND1-OD1 3.11Å; D2398-E2400 PolarHBondContact O-N 2.96Å | ||
| 2399 | I | 27.1 | Very low | 26.2 | Very low | 147.667 Ų | 147.667 | 153.4 Ų | 153.4 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -81.6 | 96.8 | 176.3 | -59.9 | 169.4 | 0 | 0 | 0 | 106.2 | V2397 E2401 | V2397-I2399 HydrophobicContact CG1-CG1 4.27Å; V2397-I2399 PolarHBondContact O-N 3.08Å; I2399-E2401 HydrophobicContact CG2-CG 3.82Å | ||
| 2400 | E | 29.7 | Very low | 26.3 | Very low | 190.333 Ų | 190.333 | 149.2 Ų | 149.2 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | trans | -95.4 | 112.8 | 158.7 | -78.2 | -169.3 | 160.5 | 0 | 0 | 108.9 | D2398 E2402 | D2398-E2400 PolarHBondContact O-N 2.96Å; E2400-E2402 PolarHBondContact O-N 3.27Å | ||
| 2401 | E | 27 | Very low | 26.5 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -62.5 | 120.6 | 172.9 | -62 | 176.2 | 141.6 | 0 | 0 | 110.1 | I2399 | I2399-E2401 HydrophobicContact CG2-CG 3.82Š| ||
| 2402 | E | 31.2 | Very low | 26.6 | Very low | 184.5 Ų | 184.5 | 152.6 Ų | 152.6 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -154.2 | 111.6 | 138.8 | -95.1 | -171.4 | 179.3 | 0 | 0 | 111.4 | E2400 K2404 | E2400-E2402 PolarHBondContact O-N 3.27Å; E2402-K2404 PolarHBondContact O-N 3.24Å | ||
| 2403 | S | 25.9 | Very low | 26.8 | Very low | 111.5 Ų | 111.5 | 157.4 Ų | 157.4 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -36.6 | 117.5 | 167.8 | 53.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2404 | K | 29.2 | Very low | 27 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -153 | 100.4 | 136.6 | -88.7 | 175.9 | -175.1 | 171 | 0 | 109.5 | E2402 Y2406 | E2402-K2404 PolarHBondContact O-N 3.24Å; K2404-Y2406 PolarHBondContact O-N 3.05Å | ||
| 2405 | A | 25.3 | Very low | 27.2 | Very low | 103.5 Ų | 103.5 | 153.9 Ų | 153.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -59.7 | 113 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2406 | Y | 27.2 | Very low | 27.4 | Very low | 211 Ų | 211 | 155.2 Ų | 155.2 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -101.2 | 109.2 | 155.2 | -76.9 | -81.2 | 0 | 0 | 0 | 107.4 | K2404 L2408 | K2404-Y2406 PolarHBondContact O-N 3.05Å; Y2406-L2408 PolarHBondContact O-N 3.24Å | ||
| 2407 | S | 25.8 | Very low | 27.5 | Very low | 118.5 Ų | 118.5 | 153.8 Ų | 153.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -64 | 105.3 | 175.7 | 52 | 0 | 0 | 0 | 0 | 110.6 | A2409 | S2407-A2409 PolarHBondContact O-N 2.79Š| ||
| 2408 | L | 25.1 | Very low | 27.3 | Very low | 153.5 Ų | 153.5 | 158.1 Ų | 158.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 121.2 | 161.5 | -114.3 | 83 | 0 | 0 | 0 | 108.7 | Y2406 T2410 | Y2406-L2408 PolarHBondContact O-N 3.24Å; L2408-T2410 HydrophobicContact CD2-CG2 4.37Å; L2408-T2410 PolarHBondContact O-N 3.25Å | ||
| 2409 | A | 26.5 | Very low | 27.1 | Very low | 99.5 Ų | 99.5 | 156.5 Ų | 156.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -78.1 | 101.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S2407 D2411 | S2407-A2409 PolarHBondContact O-N 2.79Å; A2409-D2411 VanDerWaalsContact C-N 3.26Å; A2409-D2411 PolarHBondContact O-N 3.17Å | ||
| 2410 | T | 26.8 | Very low | 27 | Very low | 115.5 Ų | 115.5 | 155.3 Ų | 155.3 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 106.6 | 171 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | L2408 | L2408-T2410 HydrophobicContact CD2-CG2 4.37Å; L2408-T2410 PolarHBondContact O-N 3.25Å | ||
| 2411 | D | 28.2 | Very low | 26.8 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -7.9 | 48.5 | 175.9 | -71.2 | -16.2 | 0 | 0 | 0 | 115.3 | A2409 | A2409-D2411 VanDerWaalsContact C-N 3.26Å; A2409-D2411 PolarHBondContact O-N 3.17Å | ||
| 2412 | Y | 28.8 | Very low | 26.8 | Very low | 229.5 Ų | 229.5 | 149.6 Ų | 149.6 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -130.6 | 49.3 | 144.9 | -92.6 | -77.2 | 0 | 0 | 0 | 112.9 | ||
| 2413 | L | 29.9 | Very low | 26.5 | Very low | 168.5 Ų | 168.5 | 145.4 Ų | 145.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -95.2 | 67.3 | 165.3 | -86.6 | 158.1 | 0 | 0 | 0 | 111.3 | ||
| 2414 | K | 28.4 | Very low | 26.6 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -148.5 | 70.3 | 159.1 | -93.3 | 178.7 | -179.8 | -177.6 | 0 | 114.7 | ||
| 2415 | D | 27.7 | Very low | 26.5 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 163.8 | 49.6 | 179.7 | -69.1 | -20.5 | 0 | 0 | 0 | 116.3 | Q2417 | D2415-Q2417 VanDerWaalsContact C-N 3.26Å; D2415-Q2417 PolarHBondContact O-N 2.75Å |
| 2416 | E | 27.1 | Very low | 26.6 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 80.1 | 148.1 | -62.2 | -171.3 | 166.7 | 0 | 0 | 113 | F2418 | E2416-F2418 VanDerWaalsContact C-N 3.27Å; E2416-F2418 PolarHBondContact O-N 3.05Å | ||
| 2417 | Q | 25 | Very low | 26.5 | Very low | 135.5 Ų | 135.5 | 142 Ų | 142 | 63% | 0.633 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -136.2 | 85.2 | 149.3 | -78.7 | -176.3 | 9.9 | 0 | 0 | 107.1 | D2415 H2419 | D2415-Q2417 VanDerWaalsContact C-N 3.26Å; D2415-Q2417 PolarHBondContact O-N 2.75Å; Q2417-H2419 VanDerWaalsContact C-N 3.31Å; Q2417-H2419 PolarHBondContact O-CD2 2.83Å; Q2417-H2419 PolarHBondContact O-N 2.87Å |
| 2418 | F | 24.4 | Very low | 26.4 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | trans | -51.5 | 91.3 | 171.7 | -97.3 | -97.5 | 0 | 0 | 0 | 110.2 | E2416 L2420 | E2416-F2418 VanDerWaalsContact C-N 3.27Å; E2416-F2418 PolarHBondContact O-N 3.05Å; F2418-L2420 PolarHBondContact O-N 2.85Å | ||
| 2419 | H | 23 | Very low | 26.4 | Very low | 106.5 Ų | 106.5 | 144.4 Ų | 144.4 | 49% | 0.493 | 74% | 0.737 | S | S | . | * | trans | -71.9 | 106.6 | 168 | -78.5 | -72.8 | 0 | 0 | 0 | 108 | Q2417 L2421 K2580 N2581 S2583 | Q2417-H2419 VanDerWaalsContact C-N 3.31Å; Q2417-H2419 PolarHBondContact O-CD2 2.83Å; Q2417-H2419 PolarHBondContact O-N 2.87Å; H2419-L2421 PolarHBondContact O-N 2.94Å; H2419-K2580 PolarHBondContact CD2-O 3.19Å; H2419-N2581 PolarHBondContact NE2-O 3.29Å; H2419-S2583 VanDerWaalsContact CE1-CB 3.49Å; H2419-S2583 WeakPolarHBondContact CE1-CB 3.16Å | ||
| 2420 | L | 25.7 | Very low | 26.4 | Very low | 122.5 Ų | 122.5 | 143.6 Ų | 143.6 | 64% | 0.641 | 72% | 0.722 | S | S | * | * | trans | -68.7 | 77.8 | 176.8 | -149.1 | 127.7 | 0 | 0 | 0 | 108.7 | Q2285 F2418 N2422 | Q2285-L2420 HydrophobicContact CB-CD1 3.88Å; Q2285-L2420 HydrophobicContact CB-CD2 4.32Å; Q2285-L2420 HydrophobicContact CG-CD1 3.76Å; Q2285-L2420 HydrophobicContact CG-CD2 4.07Å; F2418-L2420 PolarHBondContact O-N 2.85Å; L2420-N2422 VanDerWaalsContact C-N 3.32Å; L2420-N2422 PolarHBondContact O-N 2.56Å | ||
| 2421 | L | 25.5 | Very low | 26.4 | Very low | 118.5 Ų | 118.5 | 145.4 Ų | 145.4 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | trans | -86.9 | 50.6 | -179.2 | -92 | 150.4 | 0 | 0 | 0 | 112 | H2419 S2423 L2545 | H2419-L2421 PolarHBondContact O-N 2.94Å; L2421-S2423 VanDerWaalsContact C-N 3.26Å; L2421-S2423 PolarHBondContact O-N 2.67Å; L2421-L2545 HydrophobicContact CD1-CD1 3.59Å; L2421-L2545 HydrophobicContact CD1-CG 4.01Å | ||
| 2422 | N | 26.7 | Very low | 26.4 | Very low | 129.5 Ų | 129.5 | 145.7 Ų | 145.7 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | trans | -97.6 | 40.1 | -176.6 | -118 | -15.5 | 0 | 0 | 0 | 111.9 | L2420 C2424 | L2420-N2422 VanDerWaalsContact C-N 3.32Å; L2420-N2422 PolarHBondContact O-N 2.56Å; N2422-C2424 PolarHBondContact O-N 2.62Å; N2422-C2424 VanDerWaalsContact O-N 3.15Å | ||
| 2423 | S | 25.1 | Very low | 26.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | trans | -112.1 | 45.7 | 175 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | L2421 | L2421-S2423 VanDerWaalsContact C-N 3.26Å; L2421-S2423 PolarHBondContact O-N 2.67Å | ||
| 2424 | C | 26.6 | Very low | 26.6 | Very low | 88.5 Ų | 88.5 | 136 Ų | 136 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | trans | -143.8 | 65.8 | 159.8 | -84.7 | 0 | 0 | 0 | 0 | 112.1 | N2422 K2426 | N2422-C2424 PolarHBondContact O-N 2.62Å; N2422-C2424 VanDerWaalsContact O-N 3.15Å; C2424-K2426 PolarHBondContact O-N 2.92Å | ||
| 2425 | K | 28.2 | Very low | 26.9 | Very low | 193.5 Ų | 193.5 | 132.9 Ų | 132.9 | 84% | 0.841 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -84.4 | 48.3 | 176.6 | -85.5 | -179 | 176.1 | 176.2 | 0 | 115.9 | ||
| 2426 | K | 27.7 | Very low | 27.6 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -170.9 | 112.4 | 153.2 | -85.6 | -178.9 | 178.5 | 178.8 | 0 | 108.6 | C2424 Y2428 | C2424-K2426 PolarHBondContact O-N 2.92Å; K2426-Y2428 VanDerWaalsContact C-N 3.27Å; K2426-Y2428 PolarHBondContact O-N 3.14Å |
| 2427 | G | 24.4 | Very low | 28.4 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | trans | -68.9 | 95.7 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2428 | Y | 24.2 | Very low | 29.3 | Very low | 179.5 Ų | 179.5 | 119 Ų | 119 | 70% | 0.704 | 60% | 0.603 | S | S | * | * | trans | -99.5 | 114.7 | 149.9 | -69 | -79.8 | 0 | 0 | 0 | 107 | K2426 V2430 | K2426-Y2428 VanDerWaalsContact C-N 3.27Å; K2426-Y2428 PolarHBondContact O-N 3.14Å; Y2428-V2430 PolarHBondContact O-N 3.21Å; Y2428-V2430 VanDerWaalsContact O-N 3.08Å | ||
| 2429 | I | 25.2 | Very low | 30.4 | Very low | 144 Ų | 144 | 111.5 Ų | 111.5 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | trans | -56.6 | 104.4 | 166.9 | -62.2 | 168.2 | 0 | 0 | 0 | 106.5 | K2280 Y2431 | K2280-I2429 PolarHBondContact NZ-O 2.49Å; K2280-I2429 VanDerWaalsContact NZ-O 3.17Å; I2429-Y2431 HydrophobicContact CG2-CD2 4.34Å; I2429-Y2431 HydrophobicContact CG2-CE2 4.46Å; I2429-Y2431 PolarHBondContact O-N 2.85Å; I2429-Y2431 VanDerWaalsContact O-N 3.15Å | ||
| 2430 | V | 26.8 | Very low | 31.8 | Very low | 82.5 Ų | 82.5 | 106.7 Ų | 106.7 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | trans | -75.9 | 95.6 | 170.4 | -179.4 | 0 | 0 | 0 | 0 | 105 | Y2428 R2432 | Y2428-V2430 PolarHBondContact O-N 3.21Å; Y2428-V2430 VanDerWaalsContact O-N 3.08Å; V2430-R2432 PolarHBondContact O-N 3.03Å | ||
| 2431 | Y | 26.2 | Very low | 33.5 | Very low | 152.5 Ų | 152.5 | 104.1 Ų | 104.1 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | trans | -50.6 | 111.3 | 160.9 | -103.2 | -98.7 | 0 | 0 | 0 | 107 | V2215 I2429 D2433 | V2215-Y2431 HydrophobicContact CG2-CE2 4.32Å; I2429-Y2431 HydrophobicContact CG2-CD2 4.34Å; I2429-Y2431 HydrophobicContact CG2-CE2 4.46Å; I2429-Y2431 PolarHBondContact O-N 2.85Å; I2429-Y2431 VanDerWaalsContact O-N 3.15Å; Y2431-D2433 PolarHBondContact O-N 3.1Å | ||
| 2432 | R | 27 | Very low | 35.3 | Very low | 149 Ų | 149 | 98.6 Ų | 98.6 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | trans | -67.5 | 98 | 161.5 | -83 | -174.8 | 172.6 | 178 | -4.8 | 105.9 | S1862 V2430 T2434 | S1862-R2432 PolarHBondContact OG-NH2 2.83Å; V2430-R2432 PolarHBondContact O-N 3.03Å; R2432-T2434 HydrophobicContact CB-CG2 3.9Å; R2432-T2434 HydrophobicContact CG-CG2 3.69Å; R2432-T2434 PolarHBondContact O-N 3.16Å | ||
| 2433 | D | 32.1 | Very low | 37.2 | Very low | 81 Ų | 81 | 92.5 Ų | 92.5 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | trans | -68.5 | 66.6 | 161.2 | -86.3 | -15.2 | 0 | 0 | 0 | 107.7 | N2262 Y2431 L2435 Y2436 | N2262-D2433 WeakPolarHBondContact ND2-CB 3.35Å; N2262-D2433 PolarHBondContact ND2-OD2 3.14Å; Y2431-D2433 PolarHBondContact O-N 3.1Å; D2433-L2435 PolarHBondContact O-N 3.16Å; D2433-Y2436 HydrophobicContact CB-CD2 3.67Å; D2433-Y2436 HydrophobicContact CB-CE2 3.37Å; D2433-Y2436 WeakPolarHBondContact OD2-CE2 3.38Å; D2433-Y2436 PolarHBondContact OD2-OH 3.14Å | ||
| 2434 | T | 32.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 88.1 Ų | 88.1 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 18.3 | 177.8 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | R2432 Y2436 | R2432-T2434 HydrophobicContact CB-CG2 3.9Å; R2432-T2434 HydrophobicContact CG-CG2 3.69Å; R2432-T2434 PolarHBondContact O-N 3.16Å; T2434-Y2436 VanDerWaalsContact C-N 3.33Å; T2434-Y2436 PolarHBondContact O-N 3.1Å |
| 2435 | L | 33.4 | Very low | 41.5 | Very low | 124.5 Ų | 124.5 | 84 Ų | 84 | 65% | 0.652 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 36.8 | 177.8 | -74.7 | 155.5 | 0 | 0 | 0 | 110.4 | S2261 D2433 D2437 | S2261-L2435 PolarHBondContact OG-O 3.46Å; D2433-L2435 PolarHBondContact O-N 3.16Å; L2435-D2437 PolarHBondContact O-N 3.08Å; L2435-D2437 VanDerWaalsContact O-N 3.14Å |
| 2436 | Y | 43.4 | Very low | 43.5 | Very low | 75 Ų | 75 | 74.8 Ų | 74.8 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -75.7 | 92.2 | 161.7 | -85.3 | -81.1 | 0 | 0 | 0 | 107.6 | N2262 H2263 K2277 D2433 T2434 A2438 | N2262-Y2436 HydrophobicContact CB-CE1 3.84Å; N2262-Y2436 WeakPolarHBondContact CB-OH 3.23Å; N2262-Y2436 PolarHBondContact ND2-OH 2.81Å; H2263-Y2436 AromaticContact CE1-CE1 3.63Å; H2263-Y2436 AromaticContact CE1-CZ 3.52Å; H2263-Y2436 PolarHBondContact CE1-OH 2.93Å; H2263-Y2436 AromaticContact ND1-CE1 3.63Å; H2263-Y2436 AromaticContact ND1-CZ 3.71Å; H2263-Y2436 PolarHBondContact ND1-OH 3.05Å; K2277-Y2436 WeakPolarHBondContact CE-OH 3.36Å; D2433-Y2436 HydrophobicContact CB-CD2 3.67Å; D2433-Y2436 HydrophobicContact CB-CE2 3.37Å; D2433-Y2436 WeakPolarHBondContact OD2-CE2 3.38Å; D2433-Y2436 PolarHBondContact OD2-OH 3.14Å; T2434-Y2436 VanDerWaalsContact C-N 3.33Å; T2434-Y2436 PolarHBondContact O-N 3.1Å; Y2436-A2438 PolarHBondContact O-N 3.48Å | ||
| 2437 | D | 43.9 | Very low | 45.4 | Very low | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | -76.9 | 105.5 | -177.7 | -165.9 | -11.9 | 0 | 0 | 0 | 109 | L2435 T2439 C2440 | L2435-D2437 PolarHBondContact O-N 3.08Å; L2435-D2437 VanDerWaalsContact O-N 3.14Å; D2437-T2439 PolarHBondContact O-N 2.77Å; D2437-T2439 VanDerWaalsContact O-N 3.14Å; D2437-T2439 VanDerWaalsContact OD1-CB 3.27Å; D2437-T2439 WeakPolarHBondContact OD1-CB 3.36Å; D2437-T2439 VanDerWaalsContact OD1-CG2 3.24Å; D2437-T2439 WeakPolarHBondContact OD1-CG2 3.39Å; D2437-T2439 PolarHBondContact OD1-N 3.14Å; D2437-T2439 PolarHBondContact OD1-OG1 2.95Å; D2437-T2439 PolarHBondContact OD2-OG1 3.14Å; D2437-C2440 WeakPolarHBondContact O-CB 3.34Å; D2437-C2440 PolarHBondContact O-N 3.38Å; D2437-C2440 PolarHBondContact O-SG 3.31Å; D2437-C2440 VanDerWaalsContact O-SG 3.33Å | ||
| 2438 | A | 43.9 | Very low | 47.4 | Very low | 29.5 Ų | 29.5 | 64.5 Ų | 64.5 | 24% | 0.244 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1904 Y2436 C2440 R2441 I2472 | I1904-A2438 HydrophobicContact CB-CB 4.26Å; I1904-A2438 HydrophobicContact CD1-CB 3.78Å; I1904-A2438 HydrophobicContact CG1-CB 3.93Å; Y2436-A2438 PolarHBondContact O-N 3.48Å; A2438-C2440 VanDerWaalsContact C-N 3.26Å; A2438-C2440 PolarHBondContact O-N 2.78Å; A2438-R2441 PolarHBondContact O-NH1 3.36Å; A2438-I2472 WeakPolarHBondContact O-CD1 3.22Å |
| 2439 | T | 47 | Very low | 49.1 | Very low | 48 Ų | 48 | 56.6 Ų | 56.6 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.9 | 173.7 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | D2437 R2441 | D2437-T2439 PolarHBondContact O-N 2.77Å; D2437-T2439 VanDerWaalsContact O-N 3.14Å; D2437-T2439 VanDerWaalsContact OD1-CB 3.27Å; D2437-T2439 WeakPolarHBondContact OD1-CB 3.36Å; D2437-T2439 VanDerWaalsContact OD1-CG2 3.24Å; D2437-T2439 WeakPolarHBondContact OD1-CG2 3.39Å; D2437-T2439 PolarHBondContact OD1-N 3.14Å; D2437-T2439 PolarHBondContact OD1-OG1 2.95Å; D2437-T2439 PolarHBondContact OD2-OG1 3.14Å; T2439-R2441 VanDerWaalsContact O-CG 3.26Å; T2439-R2441 WeakPolarHBondContact O-CG 3.29Å; T2439-R2441 PolarHBondContact O-N 3.37Å; T2439-R2441 VanDerWaalsContact O-N 3.14Å; T2439-R2441 PolarHBondContact O-NH1 3.43Å |
| 2440 | C | 53 | Low | 50.5 | Low | 4.5 Ų | 4.5 | 50.1 Ų | 50.1 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | trans | -56.8 | 120.2 | 178.4 | -72 | 0 | 0 | 0 | 0 | 110.8 | V2260 Y2320 D2437 A2438 | V2260-C2440 HydrophobicContact CG1-CB 3.88Å; Y2320-C2440 HydrophobicContact CE2-CB 4.11Å; Y2320-C2440 PolarHBondContact OH-SG 2.83Å; D2437-C2440 WeakPolarHBondContact O-CB 3.34Å; D2437-C2440 PolarHBondContact O-N 3.38Å; D2437-C2440 PolarHBondContact O-SG 3.31Å; D2437-C2440 VanDerWaalsContact O-SG 3.33Å; A2438-C2440 VanDerWaalsContact C-N 3.26Å; A2438-C2440 PolarHBondContact O-N 2.78Å | ||
| 2441 | R | 60.9 | Low | 51.9 | Low | 68 Ų | 68 | 49.9 Ų | 49.9 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.4 | 174 | -49.3 | -114.1 | 176.2 | -123 | -0.5 | 110 | Y2011 A2321 A2438 T2439 I2467 F2468 I2472 | Y2011-R2441 PolarHBondContact OH-NH2 2.74Å; A2321-R2441 WeakPolarHBondContact CA-O 3.34Å; A2321-R2441 HydrophobicContact CB-CB 3.79Å; A2321-R2441 HydrophobicContact CB-CG 4.27Å; A2321-R2441 WeakPolarHBondContact CB-O 3.2Å; A2321-R2441 PolarHBondContact N-O 3.46Å; A2321-R2441 PolarHBondContact O-N 3.28Å; A2438-R2441 PolarHBondContact O-NH1 3.36Å; T2439-R2441 VanDerWaalsContact O-CG 3.26Å; T2439-R2441 WeakPolarHBondContact O-CG 3.29Å; T2439-R2441 PolarHBondContact O-N 3.37Å; T2439-R2441 VanDerWaalsContact O-N 3.14Å; T2439-R2441 PolarHBondContact O-NH1 3.43Å; R2441-I2467 HydrophobicContact CB-CG2 3.78Å; R2441-I2467 HydrophobicContact CG-CG2 4.29Å; R2441-F2468 CarbonylContact C-O 3.54Å; R2441-F2468 WeakPolarHBondContact CA-O 3.38Å; R2441-I2472 VanDerWaalsContact CZ-CD1 3.49Å; R2441-I2472 VanDerWaalsContact NH2-CD1 3.3Å |
| 2442 | I | 64.4 | Low | 53.1 | Low | 2.5 Ų | 2.5 | 46.7 Ų | 46.7 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.4 | 175.8 | -57.1 | 156.2 | 0 | 0 | 0 | 107.3 | V2260 L2265 M2318 F2319 Y2444 I2467 F2468 P2470 | V2260-I2442 HydrophobicContact CG2-CD1 4.2Å; V2260-I2442 HydrophobicContact CG2-CG1 4.27Å; L2265-I2442 HydrophobicContact CD1-CD1 3.28Å; L2265-I2442 HydrophobicContact CD1-CG1 3.88Å; L2265-I2442 HydrophobicContact CD1-CG2 4.28Å; M2318-I2442 HydrophobicContact CG-CG2 3.44Å; M2318-I2442 HydrophobicContact SD-CG2 4.09Å; F2319-I2442 CarbonylContact O-C 3.53Å; F2319-I2442 VanDerWaalsContact O-CA 3.22Å; F2319-I2442 WeakPolarHBondContact O-CA 3.27Å; I2442-Y2444 HydrophobicContact CB-CD2 4.41Å; I2442-Y2444 HydrophobicContact CB-CE2 3.98Å; I2442-Y2444 HydrophobicContact CG2-CD1 4.15Å; I2442-Y2444 HydrophobicContact CG2-CD2 4.1Å; I2442-Y2444 HydrophobicContact CG2-CE1 4.01Å; I2442-Y2444 HydrophobicContact CG2-CE2 3.53Å; I2442-I2467 CarbonylContact O-C 3.54Å; I2442-I2467 WeakPolarHBondContact O-CA 3.31Å; I2442-F2468 WeakPolarHBondContact CA-O 3.06Å; I2442-F2468 HydrophobicContact CB-CB 4.42Å; I2442-F2468 HydrophobicContact CB-CD1 4.31Å; I2442-F2468 HydrophobicContact CD1-CD1 4.14Å; I2442-F2468 HydrophobicContact CD1-CE1 4.31Å; I2442-F2468 PolarHBondContact N-O 2.96Å; I2442-F2468 WeakPolarHBondContact O-CB 3.5Å; I2442-F2468 PolarHBondContact O-N 3.33Å; I2442-P2470 HydrophobicContact CD1-CB 4.34Å; I2442-P2470 HydrophobicContact CD1-CG 3.92Å |
| 2443 | V | 66.3 | Low | 54.3 | Low | 2.5 Ų | 2.5 | 44.1 Ų | 44.1 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | 177.3 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | M1989 T2010 M2318 F2319 Y2465 R2466 I2467 | M1989-V2443 HydrophobicContact CE-CG2 4.11Å; M1989-V2443 HydrophobicContact SD-CB 4.38Å; M1989-V2443 HydrophobicContact SD-CG2 3.72Å; T2010-V2443 HydrophobicContact CG2-CG1 4.48Å; T2010-V2443 HydrophobicContact CG2-CG2 3.78Å; M2318-V2443 CarbonylContact C-O 3.53Å; M2318-V2443 VanDerWaalsContact CA-O 3.26Å; M2318-V2443 WeakPolarHBondContact CA-O 3.17Å; F2319-V2443 HydrophobicContact CB-CB 4.19Å; F2319-V2443 HydrophobicContact CD2-CB 4.22Å; F2319-V2443 HydrophobicContact CD2-CG1 4.45Å; F2319-V2443 WeakPolarHBondContact CD2-O 3.36Å; F2319-V2443 PolarHBondContact N-O 3Å; F2319-V2443 PolarHBondContact O-N 2.8Å; V2443-Y2465 HydrophobicContact CG1-CD2 3.51Å; V2443-Y2465 VanDerWaalsContact CG1-CD2 3.44Å; V2443-Y2465 HydrophobicContact CG1-CE2 4.18Å; V2443-Y2465 HydrophobicContact CG1-CG 4.25Å; V2443-R2466 CarbonylContact C-O 3.56Å; V2443-R2466 WeakPolarHBondContact CA-O 3.09Å; V2443-I2467 HydrophobicContact CG2-CG1 4.34Å |
| 2444 | Y | 71.4 | Confident | 55.3 | Low | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.6 | 178.6 | -70.2 | -75.7 | 0 | 0 | 0 | 110.6 | V2273 V2292 F2316 F2317 M2318 I2442 Y2465 R2466 F2468 | V2273-Y2444 WeakPolarHBondContact CG1-OH 3.03Å; V2273-Y2444 HydrophobicContact CG2-CD1 4.44Å; V2273-Y2444 HydrophobicContact CG2-CE1 3.55Å; V2292-Y2444 HydrophobicContact CG1-CD1 4Å; V2292-Y2444 HydrophobicContact CG1-CD2 3.95Å; V2292-Y2444 HydrophobicContact CG1-CE2 3.9Å; V2292-Y2444 HydrophobicContact CG1-CG 3.92Å; V2292-Y2444 HydrophobicContact CG2-CD1 4.34Å; V2292-Y2444 HydrophobicContact CG2-CD2 4.48Å; V2292-Y2444 HydrophobicContact CG2-CE1 4.12Å; V2292-Y2444 HydrophobicContact CG2-CE2 4.02Å; F2316-Y2444 AromaticContact CE1-CD1 3.72Å; F2316-Y2444 HydrophobicContact CE1-CD1 3.72Å; F2316-Y2444 HydrophobicContact CE1-CE1 4.1Å; F2316-Y2444 HydrophobicContact CE2-CD1 4.05Å; F2316-Y2444 HydrophobicContact CE2-CG 4.41Å; F2316-Y2444 AromaticContact CZ-CD1 3.17Å; F2316-Y2444 HydrophobicContact CZ-CD1 3.17Å; F2316-Y2444 AromaticContact CZ-CE1 3.7Å; F2316-Y2444 HydrophobicContact CZ-CE1 3.7Å; F2316-Y2444 AromaticContact CZ-CG 3.92Å; F2316-Y2444 HydrophobicContact CZ-CG 3.92Å; F2317-Y2444 CarbonylContact O-C 3.53Å; F2317-Y2444 VanDerWaalsContact O-CA 3.23Å; F2317-Y2444 WeakPolarHBondContact O-CA 3.37Å; M2318-Y2444 HydrophobicContact CB-CD1 4.17Å; M2318-Y2444 HydrophobicContact CB-CE1 4.06Å; M2318-Y2444 HydrophobicContact CE-CE1 3.38Å; M2318-Y2444 WeakPolarHBondContact CE-OH 3.15Å; M2318-Y2444 HydrophobicContact CG-CD1 4.11Å; M2318-Y2444 HydrophobicContact CG-CE1 3.62Å; M2318-Y2444 HydrophobicContact CG-CE2 4.44Å; M2318-Y2444 HydrophobicContact SD-CE1 3.93Å; I2442-Y2444 HydrophobicContact CB-CD2 4.41Å; I2442-Y2444 HydrophobicContact CB-CE2 3.98Å; I2442-Y2444 HydrophobicContact CG2-CD1 4.15Å; I2442-Y2444 HydrophobicContact CG2-CD2 4.1Å; I2442-Y2444 HydrophobicContact CG2-CE1 4.01Å; I2442-Y2444 HydrophobicContact CG2-CE2 3.53Å; Y2444-Y2465 CarbonylContact O-C 3.46Å; Y2444-Y2465 WeakPolarHBondContact O-CA 3.47Å; Y2444-Y2465 VanDerWaalsContact O-CB 3.3Å; Y2444-Y2465 WeakPolarHBondContact O-CB 3.32Å; Y2444-R2466 PolarHBondContact N-O 3.23Å; Y2444-R2466 PolarHBondContact O-N 3.33Å; Y2444-F2468 HydrophobicContact CD2-CB 3.55Å; Y2444-F2468 HydrophobicContact CD2-CD1 4.45Å; Y2444-F2468 HydrophobicContact CD2-CG 4.26Å; Y2444-F2468 HydrophobicContact CE2-CB 3.32Å; Y2444-F2468 AromaticContact CE2-CD1 3.48Å; Y2444-F2468 HydrophobicContact CE2-CD1 3.8Å; Y2444-F2468 VanDerWaalsContact CE2-CD1 3.48Å; Y2444-F2468 HydrophobicContact CE2-CD2 4.26Å; Y2444-F2468 HydrophobicContact CE2-CE1 4.47Å; Y2444-F2468 AromaticContact CE2-CG 3.64Å; Y2444-F2468 HydrophobicContact CE2-CG 3.64Å |
| 2445 | G | 70.5 | Confident | 56.3 | Low | 0.5 Ų | 0.5 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F2316 F2317 C2464 | F2316-G2445 CarbonylContact C-O 3.51Å; F2316-G2445 WeakPolarHBondContact CA-O 3.47Å; F2317-G2445 PolarHBondContact N-O 3Å; F2317-G2445 PolarHBondContact O-N 3.31Å; G2445-C2464 CarbonylContact C-O 3.58Å; G2445-C2464 WeakPolarHBondContact CA-O 2.99Å |
| 2446 | V | 69.2 | Low | 57.1 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.6 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | W1968 I2296 L2313 F2316 F2448 C2464 | W1968-V2446 HydrophobicContact CH2-CB 3.92Å; W1968-V2446 HydrophobicContact CH2-CG2 3.39Å; W1968-V2446 VanDerWaalsContact CH2-CG2 3.42Å; W1968-V2446 HydrophobicContact CZ3-CB 3.77Å; W1968-V2446 HydrophobicContact CZ3-CG2 3.69Å; I2296-V2446 HydrophobicContact CD1-CG1 4.33Å; I2296-V2446 HydrophobicContact CD1-CG2 4.44Å; L2313-V2446 HydrophobicContact CD1-CB 4.2Å; L2313-V2446 HydrophobicContact CD1-CG1 3.33Å; L2313-V2446 HydrophobicContact CD1-CG2 3.96Å; L2313-V2446 HydrophobicContact CD2-CG1 4Å; L2313-V2446 HydrophobicContact CG-CG1 3.94Å; L2313-V2446 VanDerWaalsContact CG-CG1 3.49Å; F2316-V2446 HydrophobicContact CD1-CG2 3.58Å; F2316-V2446 HydrophobicContact CD2-CG2 3.99Å; F2316-V2446 HydrophobicContact CE1-CG2 3.42Å; F2316-V2446 VanDerWaalsContact CE1-CG2 3.42Å; F2316-V2446 HydrophobicContact CE2-CG2 4.49Å; F2316-V2446 HydrophobicContact CZ-CG2 4.46Å; V2446-F2448 HydrophobicContact CB-CE2 4.24Å; V2446-F2448 HydrophobicContact CB-CZ 4.35Å; V2446-F2448 HydrophobicContact CG1-CD1 3.93Å; V2446-F2448 HydrophobicContact CG1-CD2 4.36Å; V2446-F2448 HydrophobicContact CG1-CE1 3.73Å; V2446-F2448 VanDerWaalsContact CG1-CE1 3.4Å; V2446-F2448 HydrophobicContact CG1-CE2 3.92Å; V2446-F2448 HydrophobicContact CG1-CG 4.36Å; V2446-F2448 HydrophobicContact CG1-CZ 3.58Å; V2446-F2448 VanDerWaalsContact CG1-CZ 3.43Å; V2446-C2464 PolarHBondContact N-O 3.1Å; V2446-C2464 PolarHBondContact O-N 2.99Å; V2446-C2464 VanDerWaalsContact O-O 3.08Å |
| 2447 | K | 68.5 | Low | 57.5 | Low | 21.5 Ų | 21.5 | 46.5 Ų | 46.5 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.2 | 171.9 | -171.8 | 179.4 | 175 | 174.7 | 0 | 110.1 | V1984 T2314 S2315 | V1984-K2447 PolarHBondContact O-NZ 2.94Å; T2314-K2447 PolarHBondContact N-O 3.1Å; T2314-K2447 VanDerWaalsContact OG1-CB 3.29Å; T2314-K2447 WeakPolarHBondContact OG1-CB 3.37Å; T2314-K2447 WeakPolarHBondContact OG1-CD 3.43Å; T2314-K2447 VanDerWaalsContact OG1-CG 3.28Å; T2314-K2447 WeakPolarHBondContact OG1-CG 3.25Å; T2314-K2447 PolarHBondContact OG1-O 3.3Å; S2315-K2447 PolarHBondContact O-N 2.96Å; S2315-K2447 VanDerWaalsContact OG-CB 3.31Å; S2315-K2447 WeakPolarHBondContact OG-CB 3.21Å |
| 2448 | F | 65.5 | Low | 57.7 | Low | 14 Ų | 14 | 49.3 Ų | 49.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 140.9 | 173.8 | -63.5 | -68.7 | 0 | 0 | 0 | 110.3 | I2296 Y2311 Y2312 L2313 V2446 Q2461 D2462 C2464 | I2296-F2448 HydrophobicContact CD1-CE1 4.14Å; I2296-F2448 HydrophobicContact CD1-CZ 3.94Å; I2296-F2448 HydrophobicContact CG1-CE1 4.42Å; I2296-F2448 HydrophobicContact CG1-CZ 4.3Å; I2296-F2448 HydrophobicContact CG2-CE1 3.56Å; I2296-F2448 HydrophobicContact CG2-CZ 3.91Å; Y2311-F2448 HydrophobicContact CD1-CB 4.13Å; Y2311-F2448 HydrophobicContact CD1-CD1 4.44Å; Y2311-F2448 HydrophobicContact CD1-CG 4.4Å; Y2312-F2448 WeakPolarHBondContact O-CA 3.37Å; L2313-F2448 HydrophobicContact CD1-CE1 4.16Å; V2446-F2448 HydrophobicContact CB-CE2 4.24Å; V2446-F2448 HydrophobicContact CB-CZ 4.35Å; V2446-F2448 HydrophobicContact CG1-CD1 3.93Å; V2446-F2448 HydrophobicContact CG1-CD2 4.36Å; V2446-F2448 HydrophobicContact CG1-CE1 3.73Å; V2446-F2448 VanDerWaalsContact CG1-CE1 3.4Å; V2446-F2448 HydrophobicContact CG1-CE2 3.92Å; V2446-F2448 HydrophobicContact CG1-CG 4.36Å; V2446-F2448 HydrophobicContact CG1-CZ 3.58Å; V2446-F2448 VanDerWaalsContact CG1-CZ 3.43Å; F2448-Q2461 CarbonylContact O-C 3.57Å; F2448-Q2461 WeakPolarHBondContact O-CA 3.33Å; F2448-D2462 HydrophobicContact CB-CB 4.47Å; F2448-D2462 PolarHBondContact N-O 3.11Å; F2448-D2462 PolarHBondContact O-N 3.07Å; F2448-D2462 VanDerWaalsContact O-N 3.13Å; F2448-C2464 HydrophobicContact CD2-CB 4.33Å; F2448-C2464 VanDerWaalsContact CD2-SG 3.53Å; F2448-C2464 HydrophobicContact CE2-CB 3.78Å; F2448-C2464 WeakPolarHBondContact CE2-SG 3.2Å |
| 2449 | S | 59.6 | Low | 58.2 | Low | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.2 | 161.3 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | Y2312 T2314 I2460 | Y2312-S2449 PolarHBondContact N-O 3.37Å; Y2312-S2449 PolarHBondContact O-N 3.27Å; Y2312-S2449 PolarHBondContact O-OG 3Å; T2314-S2449 VanDerWaalsContact CG2-OG 3.31Å; T2314-S2449 WeakPolarHBondContact CG2-OG 3.48Å; S2449-I2460 CarbonylContact C-O 3.59Å; S2449-I2460 WeakPolarHBondContact CA-O 2.82Å |
| 2450 | C | 55.5 | Low | 58.5 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.9 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 109 | Y2311 K2452 V2459 I2460 | Y2311-C2450 HydrophobicContact CD1-CB 4.17Å; Y2311-C2450 HydrophobicContact CE1-CB 4.28Å; C2450-K2452 PolarHBondContact O-N 3.25Å; C2450-V2459 CarbonylContact O-C 3.54Å; C2450-V2459 WeakPolarHBondContact O-CA 3.43Å; C2450-I2460 PolarHBondContact N-O 2.98Å; C2450-I2460 PolarHBondContact O-N 3.21Å; C2450-I2460 VanDerWaalsContact O-N 3.16Å |
| 2451 | N | 55.6 | Low | 58.7 | Low | 78 Ų | 78 | 53.1 Ų | 53.1 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.8 | 169.6 | -71.5 | -11.6 | 0 | 0 | 0 | 108.5 | S2453 V2459 | N2451-S2453 PolarHBondContact O-N 3.19Å; N2451-V2459 WeakPolarHBondContact OD1-CG2 3.41Å |
| 2452 | K | 51.5 | Low | 59 | Low | 85.5 Ų | 85.5 | 53.1 Ų | 53.1 | 37% | 0.372 | 31% | 0.309 | S | S | . | . | trans | -80.4 | 118.2 | 167.8 | -82.2 | -179.6 | 173 | 170.6 | 0 | 109.3 | C2450 S2454 Q2458 I2460 | C2450-K2452 PolarHBondContact O-N 3.25Å; K2452-S2454 VanDerWaalsContact C-N 3.26Å; K2452-S2454 PolarHBondContact O-N 2.95Å; K2452-Q2458 HydrophobicContact CD-CB 4.17Å; K2452-Q2458 PolarHBondContact N-O 2.99Å; K2452-Q2458 VanDerWaalsContact NZ-OE1 3.1Å; K2452-I2460 HydrophobicContact CD-CD1 4.03Å; K2452-I2460 VanDerWaalsContact CE-CD1 3.46Å; K2452-I2460 VanDerWaalsContact NZ-CD1 3.29Å | ||
| 2453 | S | 51.7 | Low | 59.4 | Low | 94.5 Ų | 94.5 | 53.3 Ų | 53.3 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -2.2 | -105.1 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 116.1 | N2451 D2455 | N2451-S2453 PolarHBondContact O-N 3.19Å; S2453-D2455 PolarHBondContact O-N 2.81Å; S2453-D2455 VanDerWaalsContact O-N 3.1Å |
| 2454 | S | 54.7 | Low | 59.7 | Low | 109 Ų | 109 | 53.2 Ų | 53.2 | 76% | 0.762 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.4 | -168.5 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | K2452 S2456 | K2452-S2454 VanDerWaalsContact C-N 3.26Å; K2452-S2454 PolarHBondContact O-N 2.95Å; S2454-S2456 PolarHBondContact O-N 2.84Å |
| 2455 | D | 51.5 | Low | 59.8 | Low | 113.5 Ų | 113.5 | 53.2 Ų | 53.2 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | trans | -116.9 | 108.6 | 172.2 | -75.9 | -28.2 | 0 | 0 | 0 | 107.4 | S2453 S2457 Q2458 | S2453-D2455 PolarHBondContact O-N 2.81Å; S2453-D2455 VanDerWaalsContact O-N 3.1Å; D2455-S2457 PolarHBondContact O-N 3.13Å; D2455-Q2458 PolarHBondContact O-N 2.99Å | ||
| 2456 | S | 50.9 | Low | 59.7 | Low | 126 Ų | 126 | 53.3 Ų | 53.3 | 88% | 0.881 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 14.2 | -177.1 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | S2454 | S2454-S2456 PolarHBondContact O-N 2.84Š|
| 2457 | S | 51.3 | Low | 59.4 | Low | 98 Ų | 98 | 54.4 Ų | 54.4 | 69% | 0.685 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -17.9 | -173.6 | 59.6 | 0 | 0 | 0 | 0 | 115.6 | D2455 V2459 | D2455-S2457 PolarHBondContact O-N 3.13Å; S2457-V2459 PolarHBondContact O-N 3.09Å |
| 2458 | Q | 48.9 | Very low | 59 | Low | 114.5 Ų | 114.5 | 53.5 Ų | 53.5 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | trans | -111.9 | 95.8 | -179.3 | -74.1 | -168.1 | -3 | 0 | 0 | 112.4 | K2452 D2455 | K2452-Q2458 HydrophobicContact CD-CB 4.17Å; K2452-Q2458 PolarHBondContact N-O 2.99Å; K2452-Q2458 VanDerWaalsContact NZ-OE1 3.1Å; D2455-Q2458 PolarHBondContact O-N 2.99Å | ||
| 2459 | V | 53.5 | Low | 58.7 | Low | 53.5 Ų | 53.5 | 53 Ų | 53 | 32% | 0.324 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.2 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | C1981 C2450 N2451 S2457 Q2461 | C1981-V2459 PolarHBondContact SG-O 2.97Å; C2450-V2459 CarbonylContact O-C 3.54Å; C2450-V2459 WeakPolarHBondContact O-CA 3.43Å; N2451-V2459 WeakPolarHBondContact OD1-CG2 3.41Å; S2457-V2459 PolarHBondContact O-N 3.09Å; V2459-Q2461 HydrophobicContact CG1-CG 4.09Å |
| 2460 | I | 54.8 | Low | 58.3 | Low | 57 Ų | 57 | 53.5 Ų | 53.5 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.1 | 170.8 | -62.1 | 177.5 | 0 | 0 | 0 | 107.5 | S2449 C2450 K2452 | S2449-I2460 CarbonylContact C-O 3.59Å; S2449-I2460 WeakPolarHBondContact CA-O 2.82Å; C2450-I2460 PolarHBondContact N-O 2.98Å; C2450-I2460 PolarHBondContact O-N 3.21Å; C2450-I2460 VanDerWaalsContact O-N 3.16Å; K2452-I2460 HydrophobicContact CD-CD1 4.03Å; K2452-I2460 VanDerWaalsContact CE-CD1 3.46Å; K2452-I2460 VanDerWaalsContact NZ-CD1 3.29Å |
| 2461 | Q | 57.5 | Low | 57.9 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109.6 | 174.7 | -70.8 | -177 | -10.4 | 0 | 0 | 110.5 | Y1983 F2448 V2459 | Y1983-Q2461 VanDerWaalsContact CG-OE1 3.31Å; F2448-Q2461 CarbonylContact O-C 3.57Å; F2448-Q2461 WeakPolarHBondContact O-CA 3.33Å; V2459-Q2461 HydrophobicContact CG1-CG 4.09Å |
| 2462 | D | 66.1 | Low | 57.4 | Low | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.3 | 177 | -70.1 | -24.6 | 0 | 0 | 0 | 109.5 | F2448 | F2448-D2462 HydrophobicContact CB-CB 4.47Å; F2448-D2462 PolarHBondContact N-O 3.11Å; F2448-D2462 PolarHBondContact O-N 3.07Å; F2448-D2462 VanDerWaalsContact O-N 3.13Å |
| 2463 | F | 73 | Confident | 57 | Low | 6.5 Ų | 6.5 | 50.7 Ų | 50.7 | 3% | 0.029 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.6 | 171.8 | 176.1 | -103.8 | 0 | 0 | 0 | 109.4 | V1971 V1984 V1987 I1998 F2317 Y2465 | V1971-F2463 HydrophobicContact CB-CD1 4.05Å; V1971-F2463 HydrophobicContact CG2-CD1 3.98Å; V1971-F2463 HydrophobicContact CG2-CE1 4.28Å; V1971-F2463 PolarHBondContact N-O 2.82Å; V1984-F2463 HydrophobicContact CB-CD2 4.49Å; V1984-F2463 HydrophobicContact CG2-CB 3.76Å; V1984-F2463 HydrophobicContact CG2-CD1 4.37Å; V1984-F2463 HydrophobicContact CG2-CD2 4.3Å; V1984-F2463 HydrophobicContact CG2-CG 4.09Å; V1987-F2463 HydrophobicContact CG1-CZ 4.22Å; V1987-F2463 HydrophobicContact CG2-CE2 4.08Å; V1987-F2463 HydrophobicContact CG2-CZ 3.95Å; I1998-F2463 HydrophobicContact CD1-CD1 4.14Å; I1998-F2463 HydrophobicContact CD1-CE1 4Å; F2317-F2463 AromaticContact CD2-CE2 3.95Å; F2317-F2463 HydrophobicContact CD2-CE2 3.95Å; F2317-F2463 HydrophobicContact CE2-CE2 4.25Å; F2463-Y2465 HydrophobicContact CD1-CD1 4.43Å; F2463-Y2465 AromaticContact CE1-CD1 3.83Å; F2463-Y2465 HydrophobicContact CE1-CD1 3.83Å; F2463-Y2465 HydrophobicContact CE1-CG 4.39Å; F2463-Y2465 HydrophobicContact CZ-CD1 4.41Å |
| 2464 | C | 72.5 | Confident | 57 | Low | 1.5 Ų | 1.5 | 46.6 Ų | 46.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.4 | 173.3 | 8.9 | 0 | 0 | 0 | 0 | 109.2 | W1968 I1969 D1970 G2445 V2446 F2448 | W1968-C2464 HydrophobicContact CE3-CB 3.84Å; W1968-C2464 HydrophobicContact CZ3-CB 4.34Å; W1968-C2464 VanDerWaalsContact CZ3-SG 3.58Å; I1969-C2464 CarbonylContact O-C 3.54Å; I1969-C2464 WeakPolarHBondContact O-CA 3.37Å; D1970-C2464 VanDerWaalsContact OD1-CB 3.25Å; D1970-C2464 WeakPolarHBondContact OD1-CB 3.43Å; D1970-C2464 PolarHBondContact OD1-SG 3.41Å; G2445-C2464 CarbonylContact C-O 3.58Å; G2445-C2464 WeakPolarHBondContact CA-O 2.99Å; V2446-C2464 PolarHBondContact N-O 3.1Å; V2446-C2464 PolarHBondContact O-N 2.99Å; V2446-C2464 VanDerWaalsContact O-O 3.08Å; F2448-C2464 HydrophobicContact CD2-CB 4.33Å; F2448-C2464 VanDerWaalsContact CD2-SG 3.53Å; F2448-C2464 HydrophobicContact CE2-CB 3.78Å; F2448-C2464 WeakPolarHBondContact CE2-SG 3.2Å |
| 2465 | Y | 72.6 | Confident | 56.5 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 163.2 | 173.5 | 72.3 | -86.8 | 0 | 0 | 0 | 111.3 | W1968 I1969 V1971 I2008 H2009 T2010 G2013 V2443 Y2444 F2463 | W1968-Y2465 CarbonylContact C-O 3.52Å; W1968-Y2465 WeakPolarHBondContact CA-O 3.26Å; I1969-Y2465 HydrophobicContact CB-CD1 4.28Å; I1969-Y2465 HydrophobicContact CB-CE1 3.85Å; I1969-Y2465 HydrophobicContact CB-CE2 4.27Å; I1969-Y2465 HydrophobicContact CD1-CE2 3.75Å; I1969-Y2465 HydrophobicContact CG1-CE2 4.46Å; I1969-Y2465 HydrophobicContact CG2-CD1 4.48Å; I1969-Y2465 HydrophobicContact CG2-CE1 3.68Å; I1969-Y2465 PolarHBondContact N-O 2.93Å; I1969-Y2465 PolarHBondContact O-N 3.29Å; V1971-Y2465 HydrophobicContact CG2-CD1 3.74Å; V1971-Y2465 HydrophobicContact CG2-CE1 3.51Å; I2008-Y2465 HydrophobicContact CD1-CD1 4.29Å; I2008-Y2465 HydrophobicContact CD1-CE1 3.53Å; I2008-Y2465 VanDerWaalsContact CD1-CE1 3.5Å; H2009-Y2465 PolarHBondContact O-OH 3.1Å; H2009-Y2465 VanDerWaalsContact O-OH 3.09Å; T2010-Y2465 VanDerWaalsContact C-OH 3.3Å; T2010-Y2465 WeakPolarHBondContact O-CE2 3.39Å; T2010-Y2465 VanDerWaalsContact O-CZ 3.29Å; T2010-Y2465 PolarHBondContact O-OH 2.85Å; G2013-Y2465 VanDerWaalsContact CA-OH 3.25Å; G2013-Y2465 WeakPolarHBondContact CA-OH 3.25Å; G2013-Y2465 PolarHBondContact N-OH 3.29Å; G2013-Y2465 VanDerWaalsContact N-OH 3.08Å; V2443-Y2465 HydrophobicContact CG1-CD2 3.51Å; V2443-Y2465 VanDerWaalsContact CG1-CD2 3.44Å; V2443-Y2465 HydrophobicContact CG1-CE2 4.18Å; V2443-Y2465 HydrophobicContact CG1-CG 4.25Å; Y2444-Y2465 CarbonylContact O-C 3.46Å; Y2444-Y2465 WeakPolarHBondContact O-CA 3.47Å; Y2444-Y2465 VanDerWaalsContact O-CB 3.3Å; Y2444-Y2465 WeakPolarHBondContact O-CB 3.32Å; F2463-Y2465 HydrophobicContact CD1-CD1 4.43Å; F2463-Y2465 AromaticContact CE1-CD1 3.83Å; F2463-Y2465 HydrophobicContact CE1-CD1 3.83Å; F2463-Y2465 HydrophobicContact CE1-CG 4.39Å; F2463-Y2465 HydrophobicContact CZ-CD1 4.41Å |
| 2466 | R | 68.9 | Low | 56.4 | Low | 3.5 Ų | 3.5 | 43.9 Ų | 43.9 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.8 | 174.4 | 70.1 | -178.5 | -169.7 | 176.2 | 6.5 | 111.1 | Y1965 P1967 W1968 V2292 D2295 V2443 Y2444 | Y1965-R2466 VanDerWaalsContact CD1-CZ 3.47Å; Y1965-R2466 VanDerWaalsContact CD1-NH2 3.33Å; P1967-R2466 WeakPolarHBondContact O-CA 3.46Å; P1967-R2466 WeakPolarHBondContact O-CB 3.35Å; W1968-R2466 HydrophobicContact CD2-CB 4.42Å; W1968-R2466 HydrophobicContact CD2-CG 4.48Å; W1968-R2466 HydrophobicContact CE3-CB 4.29Å; W1968-R2466 HydrophobicContact CE3-CG 4.4Å; W1968-R2466 HydrophobicContact CH2-CG 4.29Å; W1968-R2466 HydrophobicContact CZ2-CG 4.43Å; W1968-R2466 HydrophobicContact CZ3-CG 4.29Å; V2292-R2466 VanDerWaalsContact C-NH2 3.33Å; V2292-R2466 VanDerWaalsContact O-CZ 3.28Å; V2292-R2466 PolarHBondContact O-NH1 3.37Å; V2292-R2466 PolarHBondContact O-NH2 2.88Å; D2295-R2466 VanDerWaalsContact CG-NH1 3.29Å; D2295-R2466 IonicContact OD1-CZ 2.71Å; D2295-R2466 IonicContact OD1-NH1 3.3Å; D2295-R2466 PolarHBondContact OD1-NH1 3.16Å; D2295-R2466 IonicContact OD1-NH2 3.04Å; D2295-R2466 PolarHBondContact OD1-NH2 3.08Å; D2295-R2466 IonicContact OD2-NH1 2.8Å; D2295-R2466 PolarHBondContact OD2-NH1 3.3Å; V2443-R2466 CarbonylContact C-O 3.56Å; V2443-R2466 WeakPolarHBondContact CA-O 3.09Å; Y2444-R2466 PolarHBondContact N-O 3.23Å; Y2444-R2466 PolarHBondContact O-N 3.33Å |
| 2467 | I | 64.2 | Low | 56.5 | Low | 24 Ų | 24 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.8 | 179.3 | -53 | 172.4 | 0 | 0 | 0 | 109 | G1966 T2010 Y2011 R2441 I2442 V2443 | G1966-I2467 WeakPolarHBondContact CA-O 3.43Å; G1966-I2467 PolarHBondContact N-O 3.15Å; G1966-I2467 VanDerWaalsContact N-O 3.1Å; T2010-I2467 HydrophobicContact CG2-CD1 4.03Å; T2010-I2467 HydrophobicContact CG2-CG1 4.39Å; Y2011-I2467 HydrophobicContact CD1-CD1 4.14Å; Y2011-I2467 HydrophobicContact CE1-CD1 4.18Å; R2441-I2467 HydrophobicContact CB-CG2 3.78Å; R2441-I2467 HydrophobicContact CG-CG2 4.29Å; I2442-I2467 CarbonylContact O-C 3.54Å; I2442-I2467 WeakPolarHBondContact O-CA 3.31Å; V2443-I2467 HydrophobicContact CG2-CG1 4.34Å |
| 2468 | F | 60 | Low | 56.8 | Low | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.7 | -179.3 | -175.4 | -101.7 | 0 | 0 | 0 | 109.4 | A1963 T1964 Y1965 L2290 R2441 I2442 Y2444 P2470 | A1963-F2468 HydrophobicContact CB-CD2 4.12Å; A1963-F2468 HydrophobicContact CB-CE1 4.23Å; A1963-F2468 HydrophobicContact CB-CE2 3.59Å; A1963-F2468 HydrophobicContact CB-CZ 3.36Å; T1964-F2468 WeakPolarHBondContact O-CA 3.27Å; T1964-F2468 WeakPolarHBondContact O-CD2 3.24Å; Y1965-F2468 AromaticContact CD1-CD2 3.29Å; Y1965-F2468 HydrophobicContact CD1-CD2 3.79Å; Y1965-F2468 AromaticContact CD1-CE2 3.74Å; Y1965-F2468 HydrophobicContact CD1-CE2 4.02Å; Y1965-F2468 HydrophobicContact CD1-CG 4.35Å; Y1965-F2468 AromaticContact CE1-CD2 3.27Å; Y1965-F2468 HydrophobicContact CE1-CD2 3.79Å; Y1965-F2468 AromaticContact CE1-CE2 3.61Å; Y1965-F2468 HydrophobicContact CE1-CE2 3.61Å; Y1965-F2468 HydrophobicContact CE1-CG 4.38Å; Y1965-F2468 HydrophobicContact CE1-CZ 4.38Å; Y1965-F2468 HydrophobicContact CG-CD2 4.21Å; Y1965-F2468 AromaticContact CZ-CE2 3.73Å; L2290-F2468 HydrophobicContact CD1-CE1 3.76Å; L2290-F2468 HydrophobicContact CD1-CE2 4.27Å; L2290-F2468 HydrophobicContact CD1-CZ 3.55Å; L2290-F2468 HydrophobicContact CD2-CZ 4.3Å; L2290-F2468 HydrophobicContact CG-CZ 4.46Å; R2441-F2468 CarbonylContact C-O 3.54Å; R2441-F2468 WeakPolarHBondContact CA-O 3.38Å; I2442-F2468 WeakPolarHBondContact CA-O 3.06Å; I2442-F2468 HydrophobicContact CB-CB 4.42Å; I2442-F2468 HydrophobicContact CB-CD1 4.31Å; I2442-F2468 HydrophobicContact CD1-CD1 4.14Å; I2442-F2468 HydrophobicContact CD1-CE1 4.31Å; I2442-F2468 PolarHBondContact N-O 2.96Å; I2442-F2468 WeakPolarHBondContact O-CB 3.5Å; I2442-F2468 PolarHBondContact O-N 3.33Å; Y2444-F2468 HydrophobicContact CD2-CB 3.55Å; Y2444-F2468 HydrophobicContact CD2-CD1 4.45Å; Y2444-F2468 HydrophobicContact CD2-CG 4.26Å; Y2444-F2468 HydrophobicContact CE2-CB 3.32Å; Y2444-F2468 AromaticContact CE2-CD1 3.48Å; Y2444-F2468 HydrophobicContact CE2-CD1 3.8Å; Y2444-F2468 VanDerWaalsContact CE2-CD1 3.48Å; Y2444-F2468 HydrophobicContact CE2-CD2 4.26Å; Y2444-F2468 HydrophobicContact CE2-CE1 4.47Å; Y2444-F2468 AromaticContact CE2-CG 3.64Å; Y2444-F2468 HydrophobicContact CE2-CG 3.64Å; F2468-P2470 HydrophobicContact CD1-CB 4.3Å; F2468-P2470 HydrophobicContact CE1-CB 3.61Å; F2468-P2470 HydrophobicContact CE1-CG 4.37Å; F2468-P2470 HydrophobicContact CZ-CB 4.16Å |
| 2469 | A | 58.7 | Low | 57.2 | Low | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 107.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1963 T1964 N2471 I2472 | A1963-A2469 WeakPolarHBondContact CA-O 3.26Å; A1963-A2469 WeakPolarHBondContact CB-O 3.26Å; T1964-A2469 PolarHBondContact N-O 2.79Å; T1964-A2469 PolarHBondContact O-N 3.39Å; T1964-A2469 PolarHBondContact OG1-O 3.11Å; A2469-N2471 VanDerWaalsContact C-N 3.27Å; A2469-N2471 PolarHBondContact O-N 3.12Å; A2469-I2472 HydrophobicContact CB-CB 4.13Å; A2469-I2472 HydrophobicContact CB-CD1 3.71Å; A2469-I2472 HydrophobicContact CB-CG1 3.89Å; A2469-I2472 PolarHBondContact O-N 3.28Å |
| 2470 | P | 50.9 | Low | 57.5 | Low | 24 Ų | 24 | 33.9 Ų | 33.9 | 16% | 0.156 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 52.2 | 178 | 27 | -31.2 | 0 | 0 | 0 | 110.7 | I2442 F2468 | I2442-P2470 HydrophobicContact CD1-CB 4.34Å; I2442-P2470 HydrophobicContact CD1-CG 3.92Å; F2468-P2470 HydrophobicContact CD1-CB 4.3Å; F2468-P2470 HydrophobicContact CE1-CB 3.61Å; F2468-P2470 HydrophobicContact CE1-CG 4.37Å; F2468-P2470 HydrophobicContact CZ-CB 4.16Å |
| 2471 | N | 47.4 | Very low | 57.6 | Low | 63.5 Ų | 63.5 | 32.5 Ų | 32.5 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 172.1 | 4.1 | -174.1 | -59 | -17.4 | 0 | 0 | 0 | 115.7 | G1902 A2469 | G1902-N2471 PolarHBondContact N-O 2.79Å; A2469-N2471 VanDerWaalsContact C-N 3.27Å; A2469-N2471 PolarHBondContact O-N 3.12Å |
| 2472 | I | 45.4 | Very low | 57.6 | Low | 33 Ų | 33 | 32.7 Ų | 32.7 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -104.8 | 114.5 | 173.4 | -56.8 | -178.3 | 0 | 0 | 0 | 108.4 | V1903 A1963 T1964 A2438 R2441 A2469 Q2474 | V1903-I2472 HydrophobicContact CG2-CG2 4.34Å; A1963-I2472 CarbonylContact C-O 3.6Å; A1963-I2472 VanDerWaalsContact C-O 3.3Å; A1963-I2472 WeakPolarHBondContact CA-O 3.29Å; T1964-I2472 WeakPolarHBondContact CA-O 3.16Å; T1964-I2472 VanDerWaalsContact CB-O 3.29Å; T1964-I2472 WeakPolarHBondContact CB-O 3.43Å; T1964-I2472 HydrophobicContact CG2-CB 3.91Å; T1964-I2472 HydrophobicContact CG2-CG2 3.94Å; T1964-I2472 WeakPolarHBondContact CG2-O 3.12Å; T1964-I2472 PolarHBondContact N-O 2.94Å; T1964-I2472 PolarHBondContact OG1-O 3.19Å; A2438-I2472 WeakPolarHBondContact O-CD1 3.22Å; R2441-I2472 VanDerWaalsContact CZ-CD1 3.49Å; R2441-I2472 VanDerWaalsContact NH2-CD1 3.3Å; A2469-I2472 HydrophobicContact CB-CB 4.13Å; A2469-I2472 HydrophobicContact CB-CD1 3.71Å; A2469-I2472 HydrophobicContact CB-CG1 3.89Å; A2469-I2472 PolarHBondContact O-N 3.28Å; I2472-Q2474 PolarHBondContact O-N 3.45Å |
| 2473 | L | 42.5 | Very low | 57 | Low | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 130.3 | 169.2 | -78.8 | 166 | 0 | 0 | 0 | 110 | L1889 L1891 V1903 W1957 Y2475 | L1889-L2473 HydrophobicContact CD2-CD1 4.45Å; L1891-L2473 HydrophobicContact CD1-CD1 3.67Å; L1891-L2473 HydrophobicContact CD1-CD2 3.74Å; L1891-L2473 HydrophobicContact CD1-CG 4.28Å; L1891-L2473 HydrophobicContact CG-CD1 3.86Å; V1903-L2473 HydrophobicContact CG2-CB 4.09Å; V1903-L2473 HydrophobicContact CG2-CD1 4.46Å; V1903-L2473 HydrophobicContact CG2-CG 4.48Å; W1957-L2473 HydrophobicContact CE3-CB 4.39Å; L2473-Y2475 PolarHBondContact O-N 2.84Å |
| 2474 | Q | 50.7 | Low | 56.2 | Low | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -0.4 | 125.8 | 164.4 | -109.2 | 154.8 | 7.5 | 0 | 0 | 116.3 | D1958 L1961 T1964 I2472 R2476 | D1958-Q2474 HydrophobicContact CB-CB 4.46Å; D1958-Q2474 HydrophobicContact CB-CG 3.89Å; D1958-Q2474 PolarHBondContact N-O 3.49Å; D1958-Q2474 WeakPolarHBondContact O-CG 3.48Å; D1958-Q2474 PolarHBondContact O-NE2 2.86Å; L1961-Q2474 HydrophobicContact CB-CB 3.56Å; L1961-Q2474 HydrophobicContact CD1-CB 3.94Å; L1961-Q2474 HydrophobicContact CD1-CG 4.16Å; L1961-Q2474 HydrophobicContact CG-CB 4.35Å; L1961-Q2474 PolarHBondContact O-N 2.83Å; T1964-Q2474 HydrophobicContact CG2-CB 3.96Å; T1964-Q2474 HydrophobicContact CG2-CG 3.9Å; T1964-Q2474 VanDerWaalsContact CG2-N 3.3Å; T1964-Q2474 WeakPolarHBondContact CG2-O 3.29Å; I2472-Q2474 PolarHBondContact O-N 3.45Å; Q2474-R2476 PolarHBondContact O-N 3.07Å |
| 2475 | Y | 46.1 | Very low | 55.6 | Low | 97 Ų | 97 | 37.9 Ų | 37.9 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -38.7 | 108.7 | 154.5 | -169.6 | -101.9 | 0 | 0 | 0 | 111.8 | N1955 I1956 W1957 L2473 G2477 T2478 | N1955-Y2475 HydrophobicContact CB-CD2 4.33Å; N1955-Y2475 HydrophobicContact CB-CE2 3.7Å; N1955-Y2475 VanDerWaalsContact OD1-CE2 3.24Å; N1955-Y2475 WeakPolarHBondContact OD1-CE2 3.45Å; N1955-Y2475 PolarHBondContact OD1-OH 3.19Å; I1956-Y2475 VanDerWaalsContact O-O 3.06Å; W1957-Y2475 HydrophobicContact CE3-CD2 4.31Å; W1957-Y2475 HydrophobicContact CH2-CD2 4.28Å; W1957-Y2475 HydrophobicContact CZ2-CD2 4.5Å; W1957-Y2475 HydrophobicContact CZ3-CD2 4.18Å; L2473-Y2475 PolarHBondContact O-N 2.84Å; Y2475-G2477 VanDerWaalsContact C-N 3.3Å; Y2475-G2477 WeakPolarHBondContact CE2-O 3.31Å; Y2475-G2477 PolarHBondContact O-N 2.98Å; Y2475-G2477 PolarHBondContact OH-O 3.14Å; Y2475-G2477 VanDerWaalsContact OH-O 3.14Å; Y2475-T2478 WeakPolarHBondContact OH-CA 3.36Å; Y2475-T2478 WeakPolarHBondContact OH-CB 3.33Å; Y2475-T2478 WeakPolarHBondContact OH-CG2 3.18Å; Y2475-T2478 PolarHBondContact OH-N 3.45Å; Y2475-T2478 PolarHBondContact OH-OG1 3.03Å |
| 2476 | R | 48.4 | Very low | 55.2 | Low | 68.5 Ų | 68.5 | 38 Ų | 38 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 30.9 | 174.8 | -119.2 | -179.9 | 175 | -177.5 | -11 | 110.6 | Y1940 I1956 W1957 D1958 Q2474 T2478 K2527 L2530 | Y1940-R2476 PolarHBondContact OH-NH1 2.7Å; Y1940-R2476 PolarHBondContact OH-NH2 3.32Å; I1956-R2476 PolarHBondContact O-N 3.21Å; W1957-R2476 HydrophobicContact CZ3-CG 4.4Å; D1958-R2476 HydrophobicContact CB-CB 4.37Å; D1958-R2476 IonicContact OD2-NH1 3.48Å; D1958-R2476 PolarHBondContact OD2-NH1 2.8Å; Q2474-R2476 PolarHBondContact O-N 3.07Å; R2476-T2478 HydrophobicContact CB-CG2 4.49Å; R2476-T2478 PolarHBondContact O-N 3.43Å; R2476-T2478 VanDerWaalsContact O-N 3.15Å; R2476-K2527 VanDerWaalsContact NH2-CG 3.25Å; R2476-L2530 VanDerWaalsContact NH2-CD1 3.32Å |
| 2477 | G | 53.4 | Low | 55.1 | Low | 9 Ų | 9 | 38 Ų | 38 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1956 Y2475 L2479 | I1956-G2477 WeakPolarHBondContact CB-O 2.92Å; I1956-G2477 WeakPolarHBondContact CG1-O 3.07Å; I1956-G2477 PolarHBondContact N-O 3.22Å; I1956-G2477 VanDerWaalsContact N-O 3.12Å; I1956-G2477 PolarHBondContact O-N 2.68Å; Y2475-G2477 VanDerWaalsContact C-N 3.3Å; Y2475-G2477 WeakPolarHBondContact CE2-O 3.31Å; Y2475-G2477 PolarHBondContact O-N 2.98Å; Y2475-G2477 PolarHBondContact OH-O 3.14Å; Y2475-G2477 VanDerWaalsContact OH-O 3.14Å; G2477-L2479 PolarHBondContact O-N 2.75Å |
| 2478 | T | 56.7 | Low | 55.5 | Low | 45 Ų | 45 | 37.8 Ų | 37.8 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.7 | 174.1 | 24 | 0 | 0 | 0 | 0 | 108.5 | Y1953 I1954 Y2475 R2476 K2480 | Y1953-T2478 HydrophobicContact CD1-CG2 3.93Å; Y1953-T2478 HydrophobicContact CG-CG2 3.95Å; I1954-T2478 CarbonylContact O-C 3.22Å; I1954-T2478 WeakPolarHBondContact O-CA 3.44Å; Y2475-T2478 WeakPolarHBondContact OH-CA 3.36Å; Y2475-T2478 WeakPolarHBondContact OH-CB 3.33Å; Y2475-T2478 WeakPolarHBondContact OH-CG2 3.18Å; Y2475-T2478 PolarHBondContact OH-N 3.45Å; Y2475-T2478 PolarHBondContact OH-OG1 3.03Å; R2476-T2478 HydrophobicContact CB-CG2 4.49Å; R2476-T2478 PolarHBondContact O-N 3.43Å; R2476-T2478 VanDerWaalsContact O-N 3.15Å; T2478-K2480 PolarHBondContact O-N 3.05Å |
| 2479 | L | 58.5 | Low | 56.4 | Low | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.4 | 162.6 | -63 | 174.3 | 0 | 0 | 0 | 107.4 | Y1953 I1954 I1956 G2477 V2504 W2522 M2524 | Y1953-L2479 WeakPolarHBondContact CA-O 3.27Å; I1954-L2479 HydrophobicContact CB-CB 4.16Å; I1954-L2479 HydrophobicContact CB-CD1 4.35Å; I1954-L2479 HydrophobicContact CG2-CD1 4.28Å; I1954-L2479 PolarHBondContact N-O 3.01Å; I1954-L2479 PolarHBondContact O-N 2.98Å; I1956-L2479 HydrophobicContact CD1-CD1 3.83Å; I1956-L2479 HydrophobicContact CD1-CD2 4.35Å; I1956-L2479 HydrophobicContact CD1-CG 4.01Å; I1956-L2479 HydrophobicContact CG1-CD1 4.22Å; I1956-L2479 HydrophobicContact CG1-CG 4.4Å; G2477-L2479 PolarHBondContact O-N 2.75Å; L2479-V2504 HydrophobicContact CD1-CB 4.46Å; L2479-V2504 HydrophobicContact CD1-CG1 4.29Å; L2479-W2522 HydrophobicContact CB-CD2 4.24Å; L2479-W2522 HydrophobicContact CB-CE3 3.88Å; L2479-W2522 HydrophobicContact CB-CG 4.5Å; L2479-W2522 HydrophobicContact CB-CH2 4.07Å; L2479-W2522 HydrophobicContact CB-CZ2 4.31Å; L2479-W2522 HydrophobicContact CB-CZ3 3.82Å; L2479-W2522 HydrophobicContact CD1-CB 3.92Å; L2479-W2522 HydrophobicContact CD1-CD2 3.74Å; L2479-W2522 HydrophobicContact CD1-CE3 3.92Å; L2479-W2522 HydrophobicContact CD1-CG 3.77Å; L2479-W2522 HydrophobicContact CD2-CB 3.95Å; L2479-W2522 VanDerWaalsContact CD2-CD1 3.45Å; L2479-W2522 HydrophobicContact CD2-CD2 4.32Å; L2479-W2522 HydrophobicContact CD2-CE3 3.71Å; L2479-W2522 HydrophobicContact CD2-CG 3.62Å; L2479-W2522 HydrophobicContact CD2-CZ3 4.12Å; L2479-W2522 HydrophobicContact CG-CD2 4.32Å; L2479-W2522 HydrophobicContact CG-CE3 4.03Å; L2479-W2522 HydrophobicContact CG-CG 4.19Å; L2479-W2522 HydrophobicContact CG-CZ3 4.41Å; L2479-M2524 HydrophobicContact CD2-CE 3.09Å; L2479-M2524 HydrophobicContact CG-CE 4.03Å |
| 2480 | K | 58.4 | Low | 57.6 | Low | 107 Ų | 107 | 38.7 Ų | 38.7 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.9 | 179.5 | -59.7 | -161.6 | 166 | -174 | 0 | 110.5 | Y1953 T2478 W2522 | Y1953-K2480 HydrophobicContact CD1-CB 4.21Å; Y1953-K2480 HydrophobicContact CD1-CD 4.39Å; Y1953-K2480 HydrophobicContact CD1-CG 3.77Å; Y1953-K2480 HydrophobicContact CE1-CB 4.01Å; Y1953-K2480 HydrophobicContact CE1-CD 3.75Å; Y1953-K2480 HydrophobicContact CE1-CG 3.48Å; T2478-K2480 PolarHBondContact O-N 3.05Å; K2480-W2522 WeakPolarHBondContact O-CH2 3.19Å |
| 2481 | G | 56.8 | Low | 59.4 | Low | 26 Ų | 26 | 37.8 Ų | 37.8 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | trans | -139.6 | -106.4 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1952 S2483 R2520 | N1952-G2481 WeakPolarHBondContact O-CA 3.08Å; N1952-G2481 PolarHBondContact O-N 3.44Å; G2481-S2483 PolarHBondContact O-N 3.07Å; G2481-R2520 PolarHBondContact O-NH1 2.88Å; G2481-R2520 PolarHBondContact O-NH2 2.84Å | ||
| 2482 | H | 57.8 | Low | 61.2 | Low | 55.5 Ų | 55.5 | 34.9 Ų | 34.9 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | trans | -72.4 | 91.1 | 177.3 | -76.5 | -51.7 | 0 | 0 | 0 | 112.2 | N1952 G2484 F2485 S2506 S2508 D2518 R2520 W2522 | N1952-H2482 WeakPolarHBondContact CB-O 3.24Å; N1952-H2482 PolarHBondContact ND2-O 3.12Å; H2482-G2484 PolarHBondContact O-N 3.16Å; H2482-G2484 VanDerWaalsContact O-N 3.11Å; H2482-F2485 HydrophobicContact CB-CB 4.4Å; H2482-F2485 HydrophobicContact CB-CD2 3.82Å; H2482-F2485 WeakPolarHBondContact CB-O 3.21Å; H2482-F2485 PolarHBondContact O-N 3.03Å; H2482-S2506 PolarHBondContact NE2-OG 2.9Å; H2482-S2508 WeakPolarHBondContact CE1-CB 3.25Å; H2482-S2508 PolarHBondContact CE1-OG 2.81Å; H2482-S2508 VanDerWaalsContact CE1-OG 3.31Å; H2482-S2508 WeakPolarHBondContact ND1-CB 3.08Å; H2482-S2508 PolarHBondContact ND1-OG 2.8Å; H2482-S2508 VanDerWaalsContact ND1-OG 3.15Å; H2482-D2518 IonicContact CD2-OD2 2.85Å; H2482-D2518 PolarHBondContact CD2-OD2 2.88Å; H2482-D2518 IonicContact CE1-OD1 3.87Å; H2482-D2518 PolarHBondContact CE1-OD1 3.46Å; H2482-D2518 IonicContact ND1-OD1 2.99Å; H2482-D2518 PolarHBondContact ND1-OD1 2.68Å; H2482-D2518 VanDerWaalsContact ND1-OD1 3.13Å; H2482-R2520 PolarHBondContact CD2-NH2 2.63Å; H2482-R2520 WeakPolarHBondContact CE1-CD 3.1Å; H2482-R2520 PolarHBondContact CE1-NE 2.93Å; H2482-R2520 PolarHBondContact ND1-NE 2.87Å; H2482-R2520 PolarHBondContact NE2-NH2 3.26Å; H2482-W2522 AromaticContact NE2-CH2 3.53Å | ||
| 2483 | S | 54.6 | Low | 62.9 | Low | 104 Ų | 104 | 33.5 Ų | 33.5 | 73% | 0.727 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 111.5 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | N1952 G2481 | N1952-S2483 WeakPolarHBondContact ND2-CA 2.95Å; G2481-S2483 PolarHBondContact O-N 3.07Å |
| 2484 | G | 55.3 | Low | 64.3 | Low | 39 Ų | 39 | 33.8 Ų | 33.8 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | -9.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1952 H2482 | N1952-G2484 PolarHBondContact ND2-N 3.13Å; H2482-G2484 PolarHBondContact O-N 3.16Å; H2482-G2484 VanDerWaalsContact O-N 3.11Å |
| 2485 | F | 60.5 | Low | 64.8 | Low | 42 Ų | 42 | 35.6 Ų | 35.6 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | trans | -115.6 | 139.3 | 179.9 | -60.6 | -58.6 | 0 | 0 | 0 | 111.9 | N1952 H2482 P2487 S2508 D2514 G2516 | N1952-F2485 PolarHBondContact OD1-O 3.23Å; H2482-F2485 HydrophobicContact CB-CB 4.4Å; H2482-F2485 HydrophobicContact CB-CD2 3.82Å; H2482-F2485 WeakPolarHBondContact CB-O 3.21Å; H2482-F2485 PolarHBondContact O-N 3.03Å; F2485-P2487 WeakPolarHBondContact O-CD 3.46Å; F2485-S2508 VanDerWaalsContact CB-OG 3.29Å; F2485-S2508 WeakPolarHBondContact CB-OG 3.43Å; F2485-D2514 HydrophobicContact CE1-CB 4.1Å; F2485-G2516 WeakPolarHBondContact CD1-O 3.49Å; F2485-G2516 VanDerWaalsContact CE1-O 3.26Å; F2485-G2516 WeakPolarHBondContact CE1-O 3.1Å | ||
| 2486 | V | 63.7 | Low | 65.2 | Low | 6.5 Ų | 6.5 | 35.1 Ų | 35.1 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.1 | -178.5 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | L1950 N1951 C2488 S2508 G2509 T2511 | L1950-V2486 HydrophobicContact CB-CB 4.48Å; L1950-V2486 HydrophobicContact CB-CG1 4.15Å; L1950-V2486 HydrophobicContact CB-CG2 3.52Å; L1950-V2486 HydrophobicContact CD1-CG2 4.06Å; L1950-V2486 HydrophobicContact CD2-CB 4.38Å; L1950-V2486 HydrophobicContact CD2-CG1 3.76Å; L1950-V2486 HydrophobicContact CD2-CG2 3.93Å; L1950-V2486 HydrophobicContact CG-CG2 4.04Å; N1951-V2486 HydrophobicContact CB-CG2 4.2Å; N1951-V2486 WeakPolarHBondContact O-CA 3.33Å; V2486-C2488 PolarHBondContact O-N 3.26Å; V2486-C2488 PolarHBondContact O-SG 3.04Å; V2486-S2508 CarbonylContact O-C 3.49Å; V2486-S2508 WeakPolarHBondContact O-CA 3.39Å; V2486-S2508 WeakPolarHBondContact O-CB 3.43Å; V2486-G2509 PolarHBondContact N-O 3.28Å; V2486-G2509 PolarHBondContact O-N 3.09Å; V2486-T2511 HydrophobicContact CB-CG2 4.34Å; V2486-T2511 HydrophobicContact CG2-CG2 3.92Å |
| 2487 | P | 67.1 | Low | 65.4 | Low | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 107.1 | 175.1 | 18.1 | -19.7 | 0 | 0 | 0 | 111 | S1944 N1951 I1954 F2485 A2507 | S1944-P2487 WeakPolarHBondContact CB-O 3.38Å; S1944-P2487 PolarHBondContact OG-O 3.08Å; S1944-P2487 VanDerWaalsContact OG-O 3.08Å; N1951-P2487 WeakPolarHBondContact O-CD 3.49Å; I1954-P2487 HydrophobicContact CD1-CB 4.32Å; I1954-P2487 HydrophobicContact CG1-CB 4.22Å; I1954-P2487 HydrophobicContact CG1-CG 4.08Å; F2485-P2487 WeakPolarHBondContact O-CD 3.46Å; P2487-A2507 CarbonylContact C-O 3.58Å; P2487-A2507 VanDerWaalsContact CA-O 3.32Å; P2487-A2507 WeakPolarHBondContact CA-O 3.36Å |
| 2488 | C | 72.4 | Confident | 65.2 | Low | 18.5 Ų | 18.5 | 41.7 Ų | 41.7 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -29.4 | -176.4 | -57.7 | 0 | 0 | 0 | 0 | 113 | V2486 A2507 | V2486-C2488 PolarHBondContact O-N 3.26Å; V2486-C2488 PolarHBondContact O-SG 3.04Å; C2488-A2507 PolarHBondContact N-O 3.09Å |
| 2489 | A | 78.5 | Confident | 64.9 | Low | 9.5 Ų | 9.5 | 44.9 Ų | 44.9 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1645 S2506 A2507 | V1645-A2489 HydrophobicContact CB-CB 4.45Å; V1645-A2489 HydrophobicContact CG1-CB 3.77Å; A2489-S2506 WeakPolarHBondContact O-CA 3.27Å; A2489-S2506 WeakPolarHBondContact O-CB 3.26Å; A2489-A2507 HydrophobicContact CB-CB 4.38Å; A2489-A2507 PolarHBondContact N-O 3.14Å; A2489-A2507 PolarHBondContact O-N 3.33Å; A2489-A2507 VanDerWaalsContact O-N 3.09Å |
| 2490 | L | 85.2 | Confident | 64.7 | Low | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.2 | -177.4 | -76.7 | 173.5 | 0 | 0 | 0 | 110.4 | K1930 F1942 Q1943 S1944 I1954 V2504 A2505 | K1930-L2490 HydrophobicContact CB-CB 4.48Å; K1930-L2490 WeakPolarHBondContact O-CD1 3.4Å; F1942-L2490 HydrophobicContact CB-CD1 4.03Å; Q1943-L2490 VanDerWaalsContact C-CD1 3.47Å; S1944-L2490 VanDerWaalsContact OG-CD1 3.28Å; S1944-L2490 WeakPolarHBondContact OG-CD1 3.39Å; I1954-L2490 HydrophobicContact CD1-CD2 3.78Å; I1954-L2490 HydrophobicContact CG1-CD2 4.08Å; I1954-L2490 HydrophobicContact CG2-CD1 4.22Å; I1954-L2490 HydrophobicContact CG2-CD2 3.98Å; L2490-V2504 HydrophobicContact CD2-CG1 4.37Å; L2490-A2505 WeakPolarHBondContact CA-O 3.43Å |
| 2491 | T | 87.2 | Confident | 65.1 | Low | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.3 | 171.5 | -168 | 0 | 0 | 0 | 0 | 109.7 | V1645 E1646 M1647 V2504 A2505 | V1645-T2491 HydrophobicContact CG1-CG2 4.13Å; V1645-T2491 HydrophobicContact CG2-CG2 4.3Å; E1646-T2491 WeakPolarHBondContact OE2-CB 3.4Å; E1646-T2491 PolarHBondContact OE2-OG1 3.19Å; M1647-T2491 HydrophobicContact CB-CG2 3.72Å; T2491-V2504 CarbonylContact O-C 3.54Å; T2491-V2504 WeakPolarHBondContact O-CA 3.34Å; T2491-A2505 HydrophobicContact CG2-CB 3.86Å; T2491-A2505 PolarHBondContact N-O 3.04Å; T2491-A2505 PolarHBondContact O-N 3.08Å |
| 2492 | S | 85.9 | Confident | 65.8 | Low | 1.5 Ų | 1.5 | 42.7 Ų | 42.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.1 | 179 | 81 | 0 | 0 | 0 | 0 | 112.2 | F1933 S1934 K1935 I2503 | F1933-S2492 PolarHBondContact O-OG 2.86Å; S1934-S2492 VanDerWaalsContact CA-OG 3.22Å; S1934-S2492 WeakPolarHBondContact CA-OG 3.43Å; K1935-S2492 WeakPolarHBondContact CD-O 3.23Å; K1935-S2492 PolarHBondContact N-OG 2.76Å; S2492-I2503 CarbonylContact C-O 3.43Å; S2492-I2503 WeakPolarHBondContact CA-O 3.35Å; S2492-I2503 WeakPolarHBondContact CB-O 3.31Å |
| 2493 | A | 81.2 | Confident | 67 | Low | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 167.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | M1647 I2503 | M1647-A2493 HydrophobicContact CE-CB 3.44Å; M1647-A2493 VanDerWaalsContact CE-CB 3.44Å; M1647-A2493 HydrophobicContact CG-CB 4.46Å; A2493-I2503 PolarHBondContact N-O 3.01Å; A2493-I2503 PolarHBondContact O-N 3.37Å; A2493-I2503 VanDerWaalsContact O-O 3.12Å |
| 2494 | C | 71.3 | Confident | 68.3 | Low | 19.5 Ų | 19.5 | 36.6 Ų | 36.6 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.7 | 173.5 | -123.9 | 0 | 0 | 0 | 0 | 109.4 | S1649 K1935 P1936 T2496 | S1649-C2494 WeakPolarHBondContact CB-O 3.43Å; S1649-C2494 PolarHBondContact OG-O 2.98Å; K1935-C2494 PolarHBondContact O-SG 3.32Å; P1936-C2494 WeakPolarHBondContact CD-SG 3.46Å; C2494-T2496 VanDerWaalsContact C-N 3.31Å; C2494-T2496 PolarHBondContact O-N 3.42Å |
| 2495 | T | 62.7 | Low | 69.7 | Low | 48 Ų | 48 | 34.8 Ų | 34.8 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | trans | -66.9 | 64.2 | 174.9 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | N2497 E2500 D2501 I2503 | T2495-N2497 CarbonylContact O-C 3.55Å; T2495-N2497 PolarHBondContact O-N 2.78Å; T2495-E2500 WeakPolarHBondContact OG1-CB 3.5Å; T2495-D2501 PolarHBondContact OG1-O 2.8Å; T2495-I2503 HydrophobicContact CG2-CD1 3.37Å; T2495-I2503 HydrophobicContact CG2-CG1 3.92Å | ||
| 2496 | T | 54.4 | Low | 70.8 | Confident | 86 Ų | 86 | 32.9 Ų | 32.9 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -106.1 | 65.6 | -171.8 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | C2494 S2498 | C2494-T2496 VanDerWaalsContact C-N 3.31Å; C2494-T2496 PolarHBondContact O-N 3.42Å; T2496-S2498 PolarHBondContact O-N 2.91Å; T2496-S2498 PolarHBondContact OG1-OG 2.81Å |
| 2497 | N | 52.4 | Low | 71.5 | Confident | 135 Ų | 135 | 32.5 Ų | 32.5 | 72% | 0.722 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -70.3 | 58.4 | 172 | -71.3 | -10.8 | 0 | 0 | 0 | 111.4 | T2495 D2499 E2500 | T2495-N2497 CarbonylContact O-C 3.55Å; T2495-N2497 PolarHBondContact O-N 2.78Å; N2497-D2499 PolarHBondContact O-N 3.14Å; N2497-E2500 HydrophobicContact CB-CB 4.32Å; N2497-E2500 HydrophobicContact CB-CG 4.06Å; N2497-E2500 PolarHBondContact ND2-OE1 3.03Å; N2497-E2500 PolarHBondContact O-N 3.29Å |
| 2498 | S | 48.9 | Very low | 71.9 | Confident | 82 Ų | 82 | 32.6 Ų | 32.6 | 57% | 0.573 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 52.3 | 175.6 | 52 | 0 | 0 | 0 | 0 | 112.5 | T2496 E2500 | T2496-S2498 PolarHBondContact O-N 2.91Å; T2496-S2498 PolarHBondContact OG1-OG 2.81Å; S2498-E2500 PolarHBondContact O-N 3.01Å |
| 2499 | D | 49.9 | Very low | 71.5 | Confident | 112.5 Ų | 112.5 | 31.9 Ų | 31.9 | 60% | 0.602 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 10.4 | -178.1 | -76.2 | -35.9 | 0 | 0 | 0 | 115.6 | N2497 | N2497-D2499 PolarHBondContact O-N 3.14Š|
| 2500 | E | 55.3 | Low | 70.5 | Confident | 55.5 Ų | 55.5 | 32.4 Ų | 32.4 | 26% | 0.259 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -119.7 | -98.3 | -165.3 | -65 | -165.5 | 148.9 | 0 | 0 | 115.7 | T2495 N2497 S2498 L2526 K2527 R2528 | T2495-E2500 WeakPolarHBondContact OG1-CB 3.5Å; N2497-E2500 HydrophobicContact CB-CB 4.32Å; N2497-E2500 HydrophobicContact CB-CG 4.06Å; N2497-E2500 PolarHBondContact ND2-OE1 3.03Å; N2497-E2500 PolarHBondContact O-N 3.29Å; S2498-E2500 PolarHBondContact O-N 3.01Å; E2500-L2526 HydrophobicContact CB-CB 3.86Å; E2500-L2526 HydrophobicContact CB-CD2 3.28Å; E2500-L2526 HydrophobicContact CB-CG 3.26Å; E2500-L2526 HydrophobicContact CG-CD2 3.8Å; E2500-L2526 HydrophobicContact CG-CG 4.24Å; E2500-L2526 WeakPolarHBondContact O-CA 3.21Å; E2500-L2526 VanDerWaalsContact O-CD1 3.29Å; E2500-L2526 WeakPolarHBondContact O-CD1 3.32Å; E2500-L2526 PolarHBondContact O-N 3.4Å; E2500-L2526 WeakPolarHBondContact OE2-CD2 3.04Å; E2500-K2527 PolarHBondContact OE1-N 3.36Å; E2500-R2528 WeakPolarHBondContact OE1-CB 3.39Å; E2500-R2528 WeakPolarHBondContact OE1-CG 3.39Å; E2500-R2528 PolarHBondContact OE1-N 3.4Å; E2500-R2528 VanDerWaalsContact OE2-CD 3.28Å; E2500-R2528 WeakPolarHBondContact OE2-CD 3.35Å; E2500-R2528 IonicContact OE2-NE 2.7Å; E2500-R2528 IonicContact OE2-NH1 3.5Å |
| 2501 | D | 65.2 | Low | 68.8 | Low | 45.5 Ų | 45.5 | 35.4 Ų | 35.4 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 127.9 | -177.9 | -68.8 | -15.3 | 0 | 0 | 0 | 111.5 | T2495 S2523 M2524 P2525 L2526 K2529 | T2495-D2501 PolarHBondContact OG1-O 2.8Å; D2501-S2523 WeakPolarHBondContact CB-OG 3.43Å; D2501-S2523 PolarHBondContact OD2-OG 2.91Å; D2501-M2524 CarbonylContact C-O 3.57Å; D2501-M2524 WeakPolarHBondContact CA-O 3.23Å; D2501-M2524 WeakPolarHBondContact CB-O 3.26Å; D2501-P2525 WeakPolarHBondContact OD1-CA 3.34Å; D2501-L2526 WeakPolarHBondContact OD1-CD1 3.49Å; D2501-K2529 IonicContact OD1-NZ 2.8Å |
| 2502 | C | 73 | Confident | 66.9 | Low | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.3 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | S1934 M2524 | S1934-C2502 VanDerWaalsContact CB-SG 3.55Å; C2502-M2524 HydrophobicContact CB-CB 4.35Å; C2502-M2524 PolarHBondContact N-O 3.3Å; C2502-M2524 WeakPolarHBondContact O-CB 3.35Å; C2502-M2524 PolarHBondContact O-N 3Å |
| 2503 | I | 81.3 | Confident | 64.7 | Low | 31 Ų | 31 | 46.2 Ų | 46.2 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133.4 | 172.1 | -61.6 | -176 | 0 | 0 | 0 | 108.8 | M1647 S2492 A2493 T2495 L2521 W2522 | M1647-I2503 HydrophobicContact CE-CB 4.12Å; M1647-I2503 HydrophobicContact CE-CG2 3.95Å; M1647-I2503 WeakPolarHBondContact CE-O 3.47Å; M1647-I2503 HydrophobicContact SD-CG2 4Å; S2492-I2503 CarbonylContact C-O 3.43Å; S2492-I2503 WeakPolarHBondContact CA-O 3.35Å; S2492-I2503 WeakPolarHBondContact CB-O 3.31Å; A2493-I2503 PolarHBondContact N-O 3.01Å; A2493-I2503 PolarHBondContact O-N 3.37Å; A2493-I2503 VanDerWaalsContact O-O 3.12Å; T2495-I2503 HydrophobicContact CG2-CD1 3.37Å; T2495-I2503 HydrophobicContact CG2-CG1 3.92Å; I2503-L2521 HydrophobicContact CG2-CB 4.37Å; I2503-L2521 HydrophobicContact CG2-CD2 3.85Å; I2503-W2522 CarbonylContact C-O 3.53Å; I2503-W2522 VanDerWaalsContact CA-O 3.27Å; I2503-W2522 WeakPolarHBondContact CA-O 3.21Å |
| 2504 | V | 83.6 | Confident | 63 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.9 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | F1942 L2479 L2490 T2491 L2521 W2522 | F1942-V2504 HydrophobicContact CB-CG1 4.31Å; F1942-V2504 HydrophobicContact CD1-CB 4.48Å; F1942-V2504 HydrophobicContact CD1-CG1 4.26Å; F1942-V2504 HydrophobicContact CD1-CG2 3.79Å; F1942-V2504 HydrophobicContact CD2-CG1 4.34Å; F1942-V2504 HydrophobicContact CD2-CG2 3.89Å; F1942-V2504 HydrophobicContact CE1-CB 4.49Å; F1942-V2504 HydrophobicContact CE1-CG2 3.38Å; F1942-V2504 HydrophobicContact CE2-CG2 3.46Å; F1942-V2504 VanDerWaalsContact CE2-CG2 3.41Å; F1942-V2504 HydrophobicContact CG-CG1 4.11Å; F1942-V2504 HydrophobicContact CG-CG2 4.04Å; F1942-V2504 HydrophobicContact CZ-CG2 3.19Å; L2479-V2504 HydrophobicContact CD1-CB 4.46Å; L2479-V2504 HydrophobicContact CD1-CG1 4.29Å; L2490-V2504 HydrophobicContact CD2-CG1 4.37Å; T2491-V2504 CarbonylContact O-C 3.54Å; T2491-V2504 WeakPolarHBondContact O-CA 3.34Å; V2504-L2521 CarbonylContact O-C 3.44Å; V2504-L2521 WeakPolarHBondContact O-CA 3.32Å; V2504-W2522 HydrophobicContact CB-CB 4.22Å; V2504-W2522 PolarHBondContact N-O 3.07Å; V2504-W2522 PolarHBondContact O-N 2.92Å |
| 2505 | A | 84.1 | Confident | 62 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1645 L1654 L2490 T2491 R2520 L2521 | V1645-A2505 HydrophobicContact CG2-CB 4.18Å; L1654-A2505 HydrophobicContact CD1-CB 3.48Å; L1654-A2505 VanDerWaalsContact CD1-CB 3.48Å; L2490-A2505 WeakPolarHBondContact CA-O 3.43Å; T2491-A2505 HydrophobicContact CG2-CB 3.86Å; T2491-A2505 PolarHBondContact N-O 3.04Å; T2491-A2505 PolarHBondContact O-N 3.08Å; A2505-R2520 CarbonylContact C-O 3.54Å; A2505-R2520 VanDerWaalsContact CA-O 3.28Å; A2505-R2520 WeakPolarHBondContact CA-O 3.4Å; A2505-L2521 HydrophobicContact CB-CD2 3.64Å |
| 2506 | S | 83.9 | Confident | 61.8 | Low | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.8 | 174.5 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | I1954 H2482 A2489 V2519 R2520 W2522 | I1954-S2506 WeakPolarHBondContact CD1-OG 3.32Å; H2482-S2506 PolarHBondContact NE2-OG 2.9Å; A2489-S2506 WeakPolarHBondContact O-CA 3.27Å; A2489-S2506 WeakPolarHBondContact O-CB 3.26Å; S2506-V2519 CarbonylContact O-C 3.54Å; S2506-V2519 WeakPolarHBondContact O-CA 3.25Å; S2506-R2520 PolarHBondContact N-O 3.11Å; S2506-R2520 PolarHBondContact O-N 3.22Å; S2506-W2522 WeakPolarHBondContact OG-CH2 3.45Å; S2506-W2522 WeakPolarHBondContact OG-CZ3 3.45Å; S2506-W2522 PolarHBondContact OG-NE1 3.11Å |
| 2507 | A | 79 | Confident | 62.5 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1642 V1645 P2487 C2488 A2489 V2519 | P1642-A2507 HydrophobicContact CB-CB 3.82Å; P1642-A2507 HydrophobicContact CG-CB 3.96Å; V1645-A2507 HydrophobicContact CB-CB 4.06Å; V1645-A2507 HydrophobicContact CG1-CB 4.22Å; P2487-A2507 CarbonylContact C-O 3.58Å; P2487-A2507 VanDerWaalsContact CA-O 3.32Å; P2487-A2507 WeakPolarHBondContact CA-O 3.36Å; C2488-A2507 PolarHBondContact N-O 3.09Å; A2489-A2507 HydrophobicContact CB-CB 4.38Å; A2489-A2507 PolarHBondContact N-O 3.14Å; A2489-A2507 PolarHBondContact O-N 3.33Å; A2489-A2507 VanDerWaalsContact O-N 3.09Å; A2507-V2519 HydrophobicContact CB-CG2 4.36Å |
| 2508 | S | 74 | Confident | 63.4 | Low | 5.5 Ų | 5.5 | 44.1 Ų | 44.1 | 4% | 0.038 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.3 | -178.7 | 71 | 0 | 0 | 0 | 0 | 113.6 | H2482 F2485 V2486 C2517 D2518 | H2482-S2508 WeakPolarHBondContact CE1-CB 3.25Å; H2482-S2508 PolarHBondContact CE1-OG 2.81Å; H2482-S2508 VanDerWaalsContact CE1-OG 3.31Å; H2482-S2508 WeakPolarHBondContact ND1-CB 3.08Å; H2482-S2508 PolarHBondContact ND1-OG 2.8Å; H2482-S2508 VanDerWaalsContact ND1-OG 3.15Å; F2485-S2508 VanDerWaalsContact CB-OG 3.29Å; F2485-S2508 WeakPolarHBondContact CB-OG 3.43Å; V2486-S2508 CarbonylContact O-C 3.49Å; V2486-S2508 WeakPolarHBondContact O-CA 3.39Å; V2486-S2508 WeakPolarHBondContact O-CB 3.43Å; S2508-C2517 WeakPolarHBondContact O-CA 3.29Å; S2508-D2518 PolarHBondContact N-O 3.13Å; S2508-D2518 PolarHBondContact O-N 3.19Å; S2508-D2518 WeakPolarHBondContact OG-CB 3.49Å; S2508-D2518 PolarHBondContact OG-O 3.34Å; S2508-D2518 PolarHBondContact OG-OD1 3.17Å |
| 2509 | G | 65.2 | Low | 64.7 | Low | 2.5 Ų | 2.5 | 41.2 Ų | 41.2 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1641 V2486 | V1641-G2509 VanDerWaalsContact CG1-CA 3.45Å; V2486-G2509 PolarHBondContact N-O 3.28Å; V2486-G2509 PolarHBondContact O-N 3.09Å |
| 2510 | G | 57.2 | Low | 66.1 | Low | 21 Ų | 21 | 37.5 Ų | 37.5 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | trans | -80.9 | 147.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G2516 | G2510-G2516 PolarHBondContact N-O 2.93Š| ||
| 2511 | T | 50.1 | Low | 67.2 | Low | 79 Ų | 79 | 36.2 Ų | 36.2 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -103 | -27 | -178.3 | 49.8 | 0 | 0 | 0 | 0 | 115.4 | L1950 V2486 | L1950-T2511 HydrophobicContact CD1-CG2 3.48Å; L1950-T2511 VanDerWaalsContact CD1-CG2 3.48Å; L1950-T2511 WeakPolarHBondContact CD1-OG1 3.42Å; L1950-T2511 HydrophobicContact CD2-CG2 3.89Å; L1950-T2511 HydrophobicContact CG-CG2 4.29Å; V2486-T2511 HydrophobicContact CB-CG2 4.34Å; V2486-T2511 HydrophobicContact CG2-CG2 3.92Å |
| 2512 | V | 45.6 | Very low | 67.7 | Low | 129.5 Ų | 129.5 | 35.1 Ų | 35.1 | 79% | 0.785 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -129.7 | -26 | -172.6 | -172.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2513 | C | 41.1 | Very low | 67.7 | Low | 104.5 Ų | 104.5 | 37.3 Ų | 37.3 | 71% | 0.706 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -140.6 | 47.7 | 177.3 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | V2515 | C2513-V2515 HydrophobicContact CB-CG2 4.41Å; C2513-V2515 PolarHBondContact O-N 2.85Å |
| 2514 | D | 44.3 | Very low | 66.9 | Low | 75.5 Ų | 75.5 | 36.5 Ų | 36.5 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | trans | -85 | 69.7 | -177.5 | -70.1 | -41.2 | 0 | 0 | 0 | 112.5 | S1638 R1659 F2485 G2516 | S1638-D2514 WeakPolarHBondContact CB-O 3.39Å; R1659-D2514 VanDerWaalsContact NH1-CG 3.34Å; R1659-D2514 IonicContact NH1-OD1 3.37Å; R1659-D2514 PolarHBondContact NH1-OD1 3.45Å; R1659-D2514 IonicContact NH1-OD2 2.82Å; R1659-D2514 PolarHBondContact NH1-OD2 3.45Å; F2485-D2514 HydrophobicContact CE1-CB 4.1Å; D2514-G2516 VanDerWaalsContact C-N 3.29Å; D2514-G2516 PolarHBondContact O-N 3.04Å | ||
| 2515 | V | 50.9 | Low | 65.4 | Low | 119.5 Ų | 119.5 | 39.2 Ų | 39.2 | 72% | 0.724 | 24% | 0.241 | S | C | * | . | trans | -81.4 | 83.1 | 177.1 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | C2513 | C2513-V2515 HydrophobicContact CB-CG2 4.41Å; C2513-V2515 PolarHBondContact O-N 2.85Å | ||
| 2516 | G | 58.2 | Low | 64 | Low | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | trans | 168.5 | 144.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F2485 G2510 D2514 | F2485-G2516 WeakPolarHBondContact CD1-O 3.49Å; F2485-G2516 VanDerWaalsContact CE1-O 3.26Å; F2485-G2516 WeakPolarHBondContact CE1-O 3.1Å; G2510-G2516 PolarHBondContact N-O 2.93Å; D2514-G2516 VanDerWaalsContact C-N 3.29Å; D2514-G2516 PolarHBondContact O-N 3.04Å | ||
| 2517 | C | 68.5 | Low | 62.2 | Low | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.5 | 174.4 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | M1639 D1640 P1642 S2508 | M1639-C2517 WeakPolarHBondContact CE-SG 3.36Å; D1640-C2517 WeakPolarHBondContact O-CB 3.47Å; D1640-C2517 PolarHBondContact O-SG 3.18Å; P1642-C2517 HydrophobicContact CG-CB 3.97Å; S2508-C2517 WeakPolarHBondContact O-CA 3.29Å |
| 2518 | D | 72 | Confident | 60.3 | Low | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 146 | 173.8 | 126.3 | 17.6 | 0 | 0 | 0 | 111.2 | H2482 S2508 R2520 | H2482-D2518 IonicContact CD2-OD2 2.85Å; H2482-D2518 PolarHBondContact CD2-OD2 2.88Å; H2482-D2518 IonicContact CE1-OD1 3.87Å; H2482-D2518 PolarHBondContact CE1-OD1 3.46Å; H2482-D2518 IonicContact ND1-OD1 2.99Å; H2482-D2518 PolarHBondContact ND1-OD1 2.68Å; H2482-D2518 VanDerWaalsContact ND1-OD1 3.13Å; S2508-D2518 PolarHBondContact N-O 3.13Å; S2508-D2518 PolarHBondContact O-N 3.19Å; S2508-D2518 WeakPolarHBondContact OG-CB 3.49Å; S2508-D2518 PolarHBondContact OG-O 3.34Å; S2508-D2518 PolarHBondContact OG-OD1 3.17Å; D2518-R2520 VanDerWaalsContact CG-NE 3.33Å; D2518-R2520 IonicContact OD1-NE 3.28Å; D2518-R2520 PolarHBondContact OD1-NE 3.48Å; D2518-R2520 IonicContact OD2-CZ 3.42Å; D2518-R2520 IonicContact OD2-NE 3.27Å; D2518-R2520 PolarHBondContact OD2-NE 3.32Å; D2518-R2520 IonicContact OD2-NH2 3.28Å; D2518-R2520 PolarHBondContact OD2-NH2 3.35Å |
| 2519 | V | 77.2 | Confident | 58.6 | Low | 21.5 Ų | 21.5 | 62.3 Ų | 62.3 | 13% | 0.13 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.7 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | P1642 L1654 Y1656 S2506 A2507 | P1642-V2519 HydrophobicContact CB-CG2 4.12Å; P1642-V2519 HydrophobicContact CG-CG2 3.95Å; L1654-V2519 HydrophobicContact CD2-CG1 3.77Å; Y1656-V2519 HydrophobicContact CD1-CG2 4.29Å; Y1656-V2519 HydrophobicContact CD2-CG2 4.43Å; Y1656-V2519 HydrophobicContact CG-CG2 4.22Å; S2506-V2519 CarbonylContact O-C 3.54Å; S2506-V2519 WeakPolarHBondContact O-CA 3.25Å; A2507-V2519 HydrophobicContact CB-CG2 4.36Å |
| 2520 | R | 77.8 | Confident | 57.2 | Low | 34 Ų | 34 | 65.4 Ų | 65.4 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.5 | -173.9 | -64.9 | -174.9 | -174.8 | -152.8 | 1.6 | 112.3 | G2481 H2482 A2505 S2506 D2518 W2522 | G2481-R2520 PolarHBondContact O-NH1 2.88Å; G2481-R2520 PolarHBondContact O-NH2 2.84Å; H2482-R2520 PolarHBondContact CD2-NH2 2.63Å; H2482-R2520 WeakPolarHBondContact CE1-CD 3.1Å; H2482-R2520 PolarHBondContact CE1-NE 2.93Å; H2482-R2520 PolarHBondContact ND1-NE 2.87Å; H2482-R2520 PolarHBondContact NE2-NH2 3.26Å; A2505-R2520 CarbonylContact C-O 3.54Å; A2505-R2520 VanDerWaalsContact CA-O 3.28Å; A2505-R2520 WeakPolarHBondContact CA-O 3.4Å; S2506-R2520 PolarHBondContact N-O 3.11Å; S2506-R2520 PolarHBondContact O-N 3.22Å; D2518-R2520 VanDerWaalsContact CG-NE 3.33Å; D2518-R2520 IonicContact OD1-NE 3.28Å; D2518-R2520 PolarHBondContact OD1-NE 3.48Å; D2518-R2520 IonicContact OD2-CZ 3.42Å; D2518-R2520 IonicContact OD2-NE 3.27Å; D2518-R2520 PolarHBondContact OD2-NE 3.32Å; D2518-R2520 IonicContact OD2-NH2 3.28Å; D2518-R2520 PolarHBondContact OD2-NH2 3.35Å; R2520-W2522 HydrophobicContact CB-CE3 4.28Å; R2520-W2522 HydrophobicContact CB-CH2 3.37Å; R2520-W2522 HydrophobicContact CB-CZ2 3.93Å; R2520-W2522 HydrophobicContact CB-CZ3 3.66Å; R2520-W2522 VanDerWaalsContact CD-CZ2 3.43Å; R2520-W2522 HydrophobicContact CG-CH2 4.28Å; R2520-W2522 HydrophobicContact CG-CZ2 4.44Å; R2520-W2522 WeakPolarHBondContact O-CZ3 3.28Å |
| 2521 | L | 79.8 | Confident | 56.1 | Low | 28.5 Ų | 28.5 | 71.3 Ų | 71.3 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.9 | 170.3 | -67.4 | 171.8 | 0 | 0 | 0 | 110.1 | M1647 L1654 L1668 L1671 I2503 V2504 A2505 | M1647-L2521 HydrophobicContact SD-CD2 4.34Å; L1654-L2521 HydrophobicContact CD2-CD2 4.3Å; L1668-L2521 HydrophobicContact CD2-CD1 3.87Å; L1668-L2521 HydrophobicContact CD2-CD2 3.94Å; L1671-L2521 HydrophobicContact CD1-CD1 4.45Å; L1671-L2521 HydrophobicContact CD2-CD1 3.61Å; L1671-L2521 HydrophobicContact CD2-CG 4.13Å; L1671-L2521 HydrophobicContact CG-CD1 4.22Å; I2503-L2521 HydrophobicContact CG2-CB 4.37Å; I2503-L2521 HydrophobicContact CG2-CD2 3.85Å; V2504-L2521 CarbonylContact O-C 3.44Å; V2504-L2521 WeakPolarHBondContact O-CA 3.32Å; A2505-L2521 HydrophobicContact CB-CD2 3.64Å |
| 2522 | W | 75.7 | Confident | 55.2 | Low | 23 Ų | 23 | 74.9 Ų | 74.9 | 9% | 0.087 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.4 | 174 | -53.9 | 176.4 | 0 | 0 | 0 | 109.1 | I1954 L2479 K2480 H2482 I2503 V2504 S2506 R2520 | I1954-W2522 HydrophobicContact CD1-CH2 3.51Å; I1954-W2522 HydrophobicContact CD1-CZ2 4.26Å; I1954-W2522 HydrophobicContact CD1-CZ3 3.67Å; L2479-W2522 HydrophobicContact CB-CD2 4.24Å; L2479-W2522 HydrophobicContact CB-CE3 3.88Å; L2479-W2522 HydrophobicContact CB-CG 4.5Å; L2479-W2522 HydrophobicContact CB-CH2 4.07Å; L2479-W2522 HydrophobicContact CB-CZ2 4.31Å; L2479-W2522 HydrophobicContact CB-CZ3 3.82Å; L2479-W2522 HydrophobicContact CD1-CB 3.92Å; L2479-W2522 HydrophobicContact CD1-CD2 3.74Å; L2479-W2522 HydrophobicContact CD1-CE3 3.92Å; L2479-W2522 HydrophobicContact CD1-CG 3.77Å; L2479-W2522 HydrophobicContact CD2-CB 3.95Å; L2479-W2522 VanDerWaalsContact CD2-CD1 3.45Å; L2479-W2522 HydrophobicContact CD2-CD2 4.32Å; L2479-W2522 HydrophobicContact CD2-CE3 3.71Å; L2479-W2522 HydrophobicContact CD2-CG 3.62Å; L2479-W2522 HydrophobicContact CD2-CZ3 4.12Å; L2479-W2522 HydrophobicContact CG-CD2 4.32Å; L2479-W2522 HydrophobicContact CG-CE3 4.03Å; L2479-W2522 HydrophobicContact CG-CG 4.19Å; L2479-W2522 HydrophobicContact CG-CZ3 4.41Å; K2480-W2522 WeakPolarHBondContact O-CH2 3.19Å; H2482-W2522 AromaticContact NE2-CH2 3.53Å; I2503-W2522 CarbonylContact C-O 3.53Å; I2503-W2522 VanDerWaalsContact CA-O 3.27Å; I2503-W2522 WeakPolarHBondContact CA-O 3.21Å; V2504-W2522 HydrophobicContact CB-CB 4.22Å; V2504-W2522 PolarHBondContact N-O 3.07Å; V2504-W2522 PolarHBondContact O-N 2.92Å; S2506-W2522 WeakPolarHBondContact OG-CH2 3.45Å; S2506-W2522 WeakPolarHBondContact OG-CZ3 3.45Å; S2506-W2522 PolarHBondContact OG-NE1 3.11Å; R2520-W2522 HydrophobicContact CB-CE3 4.28Å; R2520-W2522 HydrophobicContact CB-CH2 3.37Å; R2520-W2522 HydrophobicContact CB-CZ2 3.93Å; R2520-W2522 HydrophobicContact CB-CZ3 3.66Å; R2520-W2522 VanDerWaalsContact CD-CZ2 3.43Å; R2520-W2522 HydrophobicContact CG-CH2 4.28Å; R2520-W2522 HydrophobicContact CG-CZ2 4.44Å; R2520-W2522 WeakPolarHBondContact O-CZ3 3.28Å |
| 2523 | S | 71.8 | Confident | 54.7 | Low | 51.5 Ų | 51.5 | 78.9 Ų | 78.9 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.6 | 172.8 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | D2501 | D2501-S2523 WeakPolarHBondContact CB-OG 3.43Å; D2501-S2523 PolarHBondContact OD2-OG 2.91Å |
| 2524 | M | 65.3 | Low | 54.6 | Low | 16 Ų | 16 | 80.8 Ų | 80.8 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120 | -178.6 | -119.1 | -118 | 142.3 | 0 | 0 | 111.2 | Y1940 F1942 I1956 L2479 D2501 C2502 L2526 | Y1940-M2524 HydrophobicContact CD1-CE 3.94Å; Y1940-M2524 HydrophobicContact CD1-SD 4.06Å; Y1940-M2524 HydrophobicContact CD2-CE 3.97Å; Y1940-M2524 HydrophobicContact CD2-SD 3.71Å; Y1940-M2524 HydrophobicContact CE1-CE 3.36Å; Y1940-M2524 HydrophobicContact CE1-SD 4.09Å; Y1940-M2524 HydrophobicContact CE2-CE 3.37Å; Y1940-M2524 HydrophobicContact CE2-SD 3.73Å; Y1940-M2524 HydrophobicContact CG-CE 4.21Å; Y1940-M2524 HydrophobicContact CG-SD 3.87Å; Y1940-M2524 WeakPolarHBondContact OH-CE 3.21Å; F1942-M2524 HydrophobicContact CE1-CG 4.49Å; F1942-M2524 HydrophobicContact CZ-SD 4.5Å; I1956-M2524 HydrophobicContact CD1-CE 3.25Å; I1956-M2524 HydrophobicContact CD1-CG 4.49Å; I1956-M2524 HydrophobicContact CD1-SD 4.06Å; I1956-M2524 HydrophobicContact CG2-SD 3.95Å; L2479-M2524 HydrophobicContact CD2-CE 3.09Å; L2479-M2524 HydrophobicContact CG-CE 4.03Å; D2501-M2524 CarbonylContact C-O 3.57Å; D2501-M2524 WeakPolarHBondContact CA-O 3.23Å; D2501-M2524 WeakPolarHBondContact CB-O 3.26Å; C2502-M2524 HydrophobicContact CB-CB 4.35Å; C2502-M2524 PolarHBondContact N-O 3.3Å; C2502-M2524 WeakPolarHBondContact O-CB 3.35Å; C2502-M2524 PolarHBondContact O-N 3Å; M2524-L2526 PolarHBondContact O-N 2.87Å |
| 2525 | P | 52.1 | Low | 54.7 | Low | 56.5 Ų | 56.5 | 80.4 Ų | 80.4 | 37% | 0.367 | 40% | 0.398 | S | S | . | . | trans | -75 | 144 | -178.5 | 27.6 | -32.7 | 0 | 0 | 0 | 113.9 | D2501 K2529 L2530 | D2501-P2525 WeakPolarHBondContact OD1-CA 3.34Å; P2525-K2529 HydrophobicContact CB-CB 4.13Å; P2525-L2530 HydrophobicContact CG-CD1 4.01Å; P2525-L2530 HydrophobicContact CG-CD2 4.39Å; P2525-L2530 HydrophobicContact CG-CG 3.84Å | ||
| 2526 | L | 55 | Low | 54.7 | Low | 76 Ų | 76 | 81.5 Ų | 81.5 | 40% | 0.398 | 40% | 0.4 | S | S | . | . | trans | -53.9 | 146.9 | 176.5 | -69.4 | 131.2 | 0 | 0 | 0 | 114.5 | E2500 D2501 M2524 R2528 K2529 | E2500-L2526 HydrophobicContact CB-CB 3.86Å; E2500-L2526 HydrophobicContact CB-CD2 3.28Å; E2500-L2526 HydrophobicContact CB-CG 3.26Å; E2500-L2526 HydrophobicContact CG-CD2 3.8Å; E2500-L2526 HydrophobicContact CG-CG 4.24Å; E2500-L2526 WeakPolarHBondContact O-CA 3.21Å; E2500-L2526 VanDerWaalsContact O-CD1 3.29Å; E2500-L2526 WeakPolarHBondContact O-CD1 3.32Å; E2500-L2526 PolarHBondContact O-N 3.4Å; E2500-L2526 WeakPolarHBondContact OE2-CD2 3.04Å; D2501-L2526 WeakPolarHBondContact OD1-CD1 3.49Å; M2524-L2526 PolarHBondContact O-N 2.87Å; L2526-R2528 PolarHBondContact O-N 2.94Å; L2526-K2529 PolarHBondContact O-N 2.84Å | ||
| 2527 | K | 46.1 | Very low | 55 | Low | 67 Ų | 67 | 86.2 Ų | 86.2 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -18.9 | -172.8 | -115.6 | -165.5 | -157 | 169.2 | 0 | 117.2 | D1958 R2476 E2500 K2529 L2530 | D1958-K2527 IonicContact OD1-NZ 3.56Å; D1958-K2527 PolarHBondContact OD1-NZ 2.72Å; D1958-K2527 WeakPolarHBondContact OD2-CE 3.17Å; D1958-K2527 IonicContact OD2-NZ 2.79Å; D1958-K2527 PolarHBondContact OD2-NZ 3.03Å; R2476-K2527 VanDerWaalsContact NH2-CG 3.25Å; E2500-K2527 PolarHBondContact OE1-N 3.36Å; K2527-K2529 PolarHBondContact O-N 2.92Å; K2527-L2530 PolarHBondContact O-N 3.3Å |
| 2528 | R | 38.6 | Very low | 54.9 | Low | 217.5 Ų | 217.5 | 85.9 Ų | 85.9 | 82% | 0.821 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -2.5 | -177.2 | -79.5 | -177 | -179.5 | 158.8 | -2.1 | 116 | E2500 L2526 | E2500-R2528 WeakPolarHBondContact OE1-CB 3.39Å; E2500-R2528 WeakPolarHBondContact OE1-CG 3.39Å; E2500-R2528 PolarHBondContact OE1-N 3.4Å; E2500-R2528 VanDerWaalsContact OE2-CD 3.28Å; E2500-R2528 WeakPolarHBondContact OE2-CD 3.35Å; E2500-R2528 IonicContact OE2-NE 2.7Å; E2500-R2528 IonicContact OE2-NH1 3.5Å; L2526-R2528 PolarHBondContact O-N 2.94Å |
| 2529 | K | 37.4 | Very low | 54.4 | Low | 133 Ų | 133 | 87.6 Ų | 87.6 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -93.8 | -10.5 | 171 | -85.4 | -174.9 | 178.5 | 177.6 | 0 | 116.2 | D2501 P2525 L2526 K2527 L2531 | D2501-K2529 IonicContact OD1-NZ 2.8Å; P2525-K2529 HydrophobicContact CB-CB 4.13Å; L2526-K2529 PolarHBondContact O-N 2.84Å; K2527-K2529 PolarHBondContact O-N 2.92Å; K2529-L2531 VanDerWaalsContact C-N 3.27Å; K2529-L2531 PolarHBondContact O-N 2.75Å; K2529-L2531 VanDerWaalsContact O-N 3.09Å |
| 2530 | L | 36.4 | Very low | 53.8 | Low | 66.5 Ų | 66.5 | 87.2 Ų | 87.2 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -105.3 | 43.2 | -172.7 | -84.1 | 125 | 0 | 0 | 0 | 116.1 | R2476 P2525 K2527 N2532 | R2476-L2530 VanDerWaalsContact NH2-CD1 3.32Å; P2525-L2530 HydrophobicContact CG-CD1 4.01Å; P2525-L2530 HydrophobicContact CG-CD2 4.39Å; P2525-L2530 HydrophobicContact CG-CG 3.84Å; K2527-L2530 PolarHBondContact O-N 3.3Å; L2530-N2532 PolarHBondContact O-N 3.1Å |
| 2531 | L | 34.5 | Very low | 53.4 | Low | 146 Ų | 146 | 88.6 Ų | 88.6 | 76% | 0.764 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -3.6 | 69.3 | 159.9 | -71.5 | 148.5 | 0 | 0 | 0 | 118.6 | K2529 | K2529-L2531 VanDerWaalsContact C-N 3.27Å; K2529-L2531 PolarHBondContact O-N 2.75Å; K2529-L2531 VanDerWaalsContact O-N 3.09Å |
| 2532 | N | 30 | Very low | 53.2 | Low | 154.5 Ų | 154.5 | 88.7 Ų | 88.7 | 83% | 0.826 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -129.7 | 77.5 | -163.6 | -86.8 | -6.8 | 0 | 0 | 0 | 116.7 | L2530 | L2530-N2532 PolarHBondContact O-N 3.1Š|
| 2533 | Y | 36.3 | Very low | 53.3 | Low | 213 Ų | 213 | 90 Ų | 90 | 84% | 0.835 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -176.2 | 136.8 | 165.1 | -123.4 | -90.7 | 0 | 0 | 0 | 121 | ||
| 2534 | Q | 39.3 | Very low | 53.5 | Low | 144.5 Ų | 144.5 | 87.8 Ų | 87.8 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -111.9 | 0 | -172.4 | -66.4 | -177.9 | -28 | 0 | 0 | 115.6 | T2668 | Q2534-T2668 HydrophobicContact CB-CG2 4.43Å; Q2534-T2668 HydrophobicContact CG-CG2 4.18Å |
| 2535 | P | 46.1 | Very low | 54.3 | Low | 67.5 Ų | 67.5 | 88.8 Ų | 88.8 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | 0 | 151.1 | 0 | 35.4 | -25.1 | 0 | 0 | 0 | 116.9 | |||
| 2536 | N | 51.6 | Low | 55.7 | Low | 141 Ų | 141 | 86.4 Ų | 86.4 | 75% | 0.754 | 43% | 0.429 | S | S | * | . | trans | -90.8 | 58.8 | 179.7 | -74.7 | -11.2 | 0 | 0 | 0 | 116 | ||||
| 2537 | Q | 64 | Low | 57 | Low | 109.5 Ų | 109.5 | 84 Ų | 84 | 51% | 0.512 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -155.5 | 167.3 | -177.7 | 0.9 | -175.9 | 1.3 | 0 | 0 | 110.7 | S2539 M2567 Q2930 | Q2537-S2539 PolarHBondContact O-N 2.99Å; Q2537-M2567 VanDerWaalsContact O-CE 3.31Å; Q2537-M2567 WeakPolarHBondContact O-CE 3.2Å; Q2537-Q2930 HydrophobicContact CB-CG 4.14Å; Q2537-Q2930 VanDerWaalsContact OE1-CG 3.27Å |
| 2538 | H | 65.8 | Low | 58.8 | Low | 18 Ų | 18 | 80.9 Ų | 80.9 | 8% | 0.083 | 40% | 0.402 | C | S | . | . | trans | -54.4 | 144.6 | 162.4 | -79.8 | -73.5 | 0 | 0 | 0 | 109.3 | G2540 I2542 S2559 C2561 S2565 M2567 G2929 | H2538-G2540 VanDerWaalsContact C-N 3.29Å; H2538-G2540 WeakPolarHBondContact CB-O 3.5Å; H2538-G2540 PolarHBondContact O-N 3.11Å; H2538-I2542 WeakPolarHBondContact CD2-CG1 3.38Å; H2538-S2559 PolarHBondContact CD2-OG 3.04Å; H2538-S2559 WeakPolarHBondContact NE2-CB 3.31Å; H2538-S2559 PolarHBondContact NE2-O 2.7Å; H2538-S2559 PolarHBondContact NE2-OG 3.17Å; H2538-C2561 HydrophobicContact CB-CB 4.21Å; H2538-C2561 VanDerWaalsContact ND1-CB 3.3Å; H2538-C2561 WeakPolarHBondContact ND1-CB 3.43Å; H2538-S2565 PolarHBondContact CE1-OG 2.96Å; H2538-S2565 PolarHBondContact ND1-OG 2.96Å; H2538-M2567 VanDerWaalsContact CE1-CG 3.5Å; H2538-M2567 WeakPolarHBondContact CE1-CG 3.37Å; H2538-G2929 PolarHBondContact N-O 3.36Å | ||
| 2539 | S | 62.3 | Low | 60.6 | Low | 54.5 Ų | 54.5 | 75.8 Ų | 75.8 | 38% | 0.381 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -74 | -14.3 | -177.3 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | Q2537 D2563 | Q2537-S2539 PolarHBondContact O-N 2.99Å; S2539-D2563 WeakPolarHBondContact CB-OD2 3.46Å; S2539-D2563 PolarHBondContact N-OD2 2.96Å; S2539-D2563 PolarHBondContact OG-OD2 2.96Å |
| 2540 | G | 64.7 | Low | 62.6 | Low | 12.5 Ų | 12.5 | 70.1 Ų | 70.1 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -145.4 | -173.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H2538 I2542 C2561 G2929 | H2538-G2540 VanDerWaalsContact C-N 3.29Å; H2538-G2540 WeakPolarHBondContact CB-O 3.5Å; H2538-G2540 PolarHBondContact O-N 3.11Å; G2540-I2542 PolarHBondContact O-N 3.42Å; G2540-C2561 VanDerWaalsContact C-SG 3.56Å; G2540-C2561 PolarHBondContact O-SG 3.25Å; G2540-C2561 VanDerWaalsContact O-SG 3.36Å; G2540-G2929 WeakPolarHBondContact O-CA 3.44Å; G2540-G2929 PolarHBondContact O-N 2.99Å |
| 2541 | P | 67.8 | Low | 64.3 | Low | 64 Ų | 64 | 67.8 Ų | 67.8 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | trans | -59.7 | 135.8 | 179.8 | -1.8 | -2 | 0 | 0 | 0 | 113.4 | T2543 C2561 I2562 T2910 R2927 | P2541-T2543 PolarHBondContact O-N 3.13Å; P2541-C2561 PolarHBondContact O-SG 2.61Å; P2541-I2562 HydrophobicContact CG-CB 4.28Å; P2541-I2562 HydrophobicContact CG-CD1 4.44Å; P2541-I2562 HydrophobicContact CG-CG2 4.15Å; P2541-I2562 PolarHBondContact O-N 2.86Å; P2541-I2562 VanDerWaalsContact O-N 3.14Å; P2541-T2910 HydrophobicContact CB-CG2 4.44Å; P2541-R2927 HydrophobicContact CB-CG 4.43Å; P2541-R2927 HydrophobicContact CG-CG 3.95Å | ||
| 2542 | I | 76.5 | Confident | 66 | Low | 31.5 Ų | 31.5 | 67.2 Ų | 67.2 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.9 | 168.8 | -65 | 169.9 | 0 | 0 | 0 | 108.7 | H2538 G2540 C2544 L2545 G2560 T2910 Q2911 G2925 D2926 Q2930 I2931 | H2538-I2542 WeakPolarHBondContact CD2-CG1 3.38Å; G2540-I2542 PolarHBondContact O-N 3.42Å; I2542-C2544 WeakPolarHBondContact CG2-O 3.49Å; I2542-L2545 HydrophobicContact CG2-CD2 3.83Å; I2542-L2545 HydrophobicContact CG2-CG 4.17Å; I2542-G2560 CarbonylContact C-O 3.51Å; I2542-G2560 VanDerWaalsContact CA-O 3.31Å; I2542-G2560 WeakPolarHBondContact CA-O 3.3Å; I2542-G2560 VanDerWaalsContact CG2-O 3.28Å; I2542-G2560 WeakPolarHBondContact CG2-O 3.37Å; I2542-T2910 PolarHBondContact O-OG1 2.9Å; I2542-Q2911 HydrophobicContact CG2-CB 4.41Å; I2542-G2925 VanDerWaalsContact CD1-CA 3.43Å; I2542-D2926 PolarHBondContact N-O 3.24Å; I2542-Q2930 WeakPolarHBondContact CD1-O 3.48Å; I2542-I2931 HydrophobicContact CD1-CG1 3.76Å |
| 2543 | T | 77.9 | Confident | 67.9 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -30.9 | -177.6 | 49 | 0 | 0 | 0 | 0 | 112.9 | P2541 G2560 I2562 A2607 I2608 | P2541-T2543 PolarHBondContact O-N 3.13Å; T2543-G2560 PolarHBondContact N-O 3.44Å; T2543-G2560 PolarHBondContact OG1-O 3.11Å; T2543-I2562 HydrophobicContact CG2-CB 3.86Å; T2543-I2562 HydrophobicContact CG2-CG1 4.45Å; T2543-A2607 HydrophobicContact CG2-CB 4.39Å; T2543-I2608 WeakPolarHBondContact CB-O 3.36Å; T2543-I2608 PolarHBondContact OG1-O 3.2Å |
| 2544 | C | 75.8 | Confident | 69.8 | Low | 5.5 Ų | 5.5 | 56.4 Ų | 56.4 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 156.7 | 179.2 | 59 | 0 | 0 | 0 | 0 | 111.9 | I2542 S2559 G2560 I2608 | I2542-C2544 WeakPolarHBondContact CG2-O 3.49Å; C2544-S2559 CarbonylContact O-C 3.58Å; C2544-S2559 WeakPolarHBondContact O-CA 3.38Å; C2544-G2560 PolarHBondContact N-O 3.15Å; C2544-G2560 PolarHBondContact O-N 3.45Å; C2544-I2608 VanDerWaalsContact SG-CG2 3.55Å |
| 2545 | L | 82.5 | Confident | 71.7 | Confident | 36.5 Ų | 36.5 | 50.4 Ų | 50.4 | 19% | 0.191 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.2 | 176.1 | -67.6 | 178.2 | 0 | 0 | 0 | 109.7 | L2421 I2542 I2558 S2559 Q2911 Y2913 L2923 I2931 | L2421-L2545 HydrophobicContact CD1-CD1 3.59Å; L2421-L2545 HydrophobicContact CD1-CG 4.01Å; I2542-L2545 HydrophobicContact CG2-CD2 3.83Å; I2542-L2545 HydrophobicContact CG2-CG 4.17Å; L2545-I2558 CarbonylContact C-O 3.58Å; L2545-I2558 VanDerWaalsContact CA-O 3.25Å; L2545-I2558 WeakPolarHBondContact CA-O 3.14Å; L2545-S2559 VanDerWaalsContact CD2-CA 3.47Å; L2545-Q2911 HydrophobicContact CB-CG 4.24Å; L2545-Q2911 HydrophobicContact CD1-CB 4.08Å; L2545-Q2911 HydrophobicContact CD1-CG 3.97Å; L2545-Q2911 HydrophobicContact CG-CB 4.27Å; L2545-Q2911 HydrophobicContact CG-CG 3.95Å; L2545-Y2913 HydrophobicContact CB-CD2 4.32Å; L2545-Y2913 HydrophobicContact CB-CG 4.32Å; L2545-Y2913 WeakPolarHBondContact O-CD2 3.49Å; L2545-L2923 HydrophobicContact CD1-CB 4.41Å; L2545-I2931 HydrophobicContact CD2-CD1 4.34Å |
| 2546 | G | 80.3 | Confident | 73.5 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C2557 I2558 | G2546-C2557 CarbonylContact O-C 3.53Å; G2546-C2557 WeakPolarHBondContact O-CA 3.46Å; G2546-I2558 PolarHBondContact N-O 2.91Å; G2546-I2558 PolarHBondContact O-N 2.83Å |
| 2547 | Q | 83.2 | Confident | 75.1 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.1 | 176 | -174.5 | -169.6 | 19.6 | 0 | 0 | 110 | K2549 S2555 I2556 L2579 T2613 Y2913 L2915 | Q2547-K2549 HydrophobicContact CG-CG 4.31Å; Q2547-S2555 PolarHBondContact NE2-OG 3.08Å; Q2547-I2556 WeakPolarHBondContact CA-O 3.48Å; Q2547-L2579 HydrophobicContact CB-CD1 3.68Å; Q2547-L2579 HydrophobicContact CG-CD1 3.6Å; Q2547-T2613 PolarHBondContact O-OG1 3.38Å; Q2547-Y2913 HydrophobicContact CB-CD1 4.39Å; Q2547-Y2913 HydrophobicContact CB-CE1 3.51Å; Q2547-L2915 HydrophobicContact CB-CD2 4.46Å; Q2547-L2915 HydrophobicContact CG-CD2 3.94Å; Q2547-L2915 VanDerWaalsContact NE2-CD2 3.29Å |
| 2548 | L | 82.8 | Confident | 76.2 | Confident | 1.5 Ų | 1.5 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 106.5 | 167.1 | -172.5 | 69.6 | 0 | 0 | 0 | 108.9 | I2550 S2555 I2556 I2558 T2613 Y2627 I2629 F2658 | L2548-I2550 HydrophobicContact CD2-CD1 4.43Å; L2548-I2550 HydrophobicContact CD2-CG1 4.2Å; L2548-I2550 HydrophobicContact CG-CG1 4.2Å; L2548-I2550 PolarHBondContact O-N 2.83Å; L2548-S2555 CarbonylContact O-C 3.51Å; L2548-S2555 WeakPolarHBondContact O-CA 3.16Å; L2548-S2555 VanDerWaalsContact O-CB 3.31Å; L2548-S2555 WeakPolarHBondContact O-CB 3.39Å; L2548-I2556 PolarHBondContact N-O 2.88Å; L2548-I2556 PolarHBondContact O-N 3.2Å; L2548-I2558 HydrophobicContact CB-CD1 4.42Å; L2548-T2613 HydrophobicContact CB-CG2 4.28Å; L2548-T2613 HydrophobicContact CD1-CG2 4.22Å; L2548-Y2627 HydrophobicContact CD1-CD1 4.06Å; L2548-Y2627 HydrophobicContact CG-CD1 4.41Å; L2548-I2629 HydrophobicContact CD1-CG1 4.27Å; L2548-I2629 HydrophobicContact CD2-CD1 3.9Å; L2548-I2629 HydrophobicContact CD2-CG1 4.25Å; L2548-F2658 HydrophobicContact CD2-CE1 3.99Å |
| 2549 | K | 78.3 | Confident | 77.2 | Confident | 110.5 Ų | 110.5 | 34.6 Ų | 34.6 | 48% | 0.48 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.5 | 172.2 | -69.1 | -170.5 | -178.5 | -172.4 | 0 | 108.9 | Q2547 D2916 | Q2547-K2549 HydrophobicContact CG-CG 4.31Å; K2549-D2916 WeakPolarHBondContact CE-OD1 3.44Å; K2549-D2916 IonicContact NZ-OD1 3.86Å; K2549-D2916 PolarHBondContact NZ-OD1 3.43Å |
| 2550 | I | 78.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.077 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -42.5 | 179.5 | -61.3 | 159.8 | 0 | 0 | 0 | 109.4 | L2548 Y2554 I2556 Y2627 I2654 F2658 | L2548-I2550 HydrophobicContact CD2-CD1 4.43Å; L2548-I2550 HydrophobicContact CD2-CG1 4.2Å; L2548-I2550 HydrophobicContact CG-CG1 4.2Å; L2548-I2550 PolarHBondContact O-N 2.83Å; I2550-Y2554 HydrophobicContact CB-CD1 4.15Å; I2550-Y2554 HydrophobicContact CD1-CD1 3.69Å; I2550-Y2554 HydrophobicContact CD1-CE1 3.49Å; I2550-Y2554 VanDerWaalsContact CD1-CE1 3.46Å; I2550-Y2554 HydrophobicContact CG1-CD1 4.47Å; I2550-Y2554 HydrophobicContact CG2-CD1 4.44Å; I2550-Y2554 PolarHBondContact N-O 3.25Å; I2550-I2556 HydrophobicContact CD1-CB 4.42Å; I2550-I2556 HydrophobicContact CD1-CD1 3.68Å; I2550-I2556 HydrophobicContact CD1-CG1 3.81Å; I2550-Y2627 HydrophobicContact CB-CE1 4.39Å; I2550-Y2627 HydrophobicContact CG1-CE1 4.32Å; I2550-Y2627 HydrophobicContact CG2-CE1 4.37Å; I2550-Y2627 PolarHBondContact O-OH 3.48Å; I2550-I2654 HydrophobicContact CG2-CG2 3.65Å; I2550-F2658 HydrophobicContact CB-CE2 4.34Å; I2550-F2658 HydrophobicContact CD1-CB 4.01Å; I2550-F2658 HydrophobicContact CD1-CD1 3.55Å; I2550-F2658 HydrophobicContact CD1-CD2 3.72Å; I2550-F2658 HydrophobicContact CD1-CE1 3.85Å; I2550-F2658 HydrophobicContact CD1-CE2 4Å; I2550-F2658 HydrophobicContact CD1-CG 3.48Å; I2550-F2658 VanDerWaalsContact CD1-CG 3.48Å; I2550-F2658 HydrophobicContact CD1-CZ 4.06Å; I2550-F2658 HydrophobicContact CG1-CD1 4.32Å; I2550-F2658 HydrophobicContact CG1-CD2 4.17Å; I2550-F2658 HydrophobicContact CG1-CE1 4.13Å; I2550-F2658 HydrophobicContact CG1-CE2 3.96Å; I2550-F2658 HydrophobicContact CG1-CG 4.34Å; I2550-F2658 HydrophobicContact CG1-CZ 3.94Å; I2550-F2658 HydrophobicContact CG2-CD2 3.59Å; I2550-F2658 HydrophobicContact CG2-CE2 3.4Å; I2550-F2658 HydrophobicContact CG2-CG 4.47Å; I2550-F2658 HydrophobicContact CG2-CZ 4.17Å |
| 2551 | T | 72.1 | Confident | 79.1 | Confident | 17.5 Ų | 17.5 | 31.5 Ų | 31.5 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 167.5 | 178.2 | 72.8 | 0 | 0 | 0 | 0 | 109.7 | H2553 Y2554 M2651 | T2551-H2553 PolarHBondContact O-N 3.17Å; T2551-H2553 PolarHBondContact OG1-N 3.09Å; T2551-Y2554 PolarHBondContact N-O 3.06Å; T2551-Y2554 VanDerWaalsContact N-O 3.15Å; T2551-Y2554 PolarHBondContact O-N 3.4Å; T2551-Y2554 VanDerWaalsContact O-O 3.08Å; T2551-Y2554 VanDerWaalsContact OG1-CB 3.29Å; T2551-Y2554 WeakPolarHBondContact OG1-CB 3.41Å; T2551-Y2554 PolarHBondContact OG1-N 3.07Å; T2551-M2651 VanDerWaalsContact CB-SD 3.53Å; T2551-M2651 HydrophobicContact CG2-CE 3.93Å; T2551-M2651 HydrophobicContact CG2-CG 4.35Å; T2551-M2651 HydrophobicContact CG2-SD 3.36Å; T2551-M2651 WeakPolarHBondContact CG2-SD 3.18Å |
| 2552 | D | 69.2 | Low | 79.5 | Confident | 133.5 Ų | 133.5 | 32.6 Ų | 32.6 | 71% | 0.714 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.9 | 178.2 | -64.5 | -23.1 | 0 | 0 | 0 | 114.1 | ||
| 2553 | H | 70.2 | Confident | 79.2 | Confident | 133.5 Ų | 133.5 | 31.9 Ų | 31.9 | 62% | 0.618 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -4 | -177.5 | -59 | -52 | 0 | 0 | 0 | 114.2 | T2551 S2574 | T2551-H2553 PolarHBondContact O-N 3.17Å; T2551-H2553 PolarHBondContact OG1-N 3.09Å; H2553-S2574 PolarHBondContact ND1-O 3.07Å |
| 2554 | Y | 77.2 | Confident | 79.1 | Confident | 6.5 Ų | 6.5 | 29.7 Ų | 29.7 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 121.9 | -177.6 | -177.8 | -103.2 | 0 | 0 | 0 | 111 | I2550 T2551 I2556 S2570 K2572 Q2655 F2658 E2659 | I2550-Y2554 HydrophobicContact CB-CD1 4.15Å; I2550-Y2554 HydrophobicContact CD1-CD1 3.69Å; I2550-Y2554 HydrophobicContact CD1-CE1 3.49Å; I2550-Y2554 VanDerWaalsContact CD1-CE1 3.46Å; I2550-Y2554 HydrophobicContact CG1-CD1 4.47Å; I2550-Y2554 HydrophobicContact CG2-CD1 4.44Å; I2550-Y2554 PolarHBondContact N-O 3.25Å; T2551-Y2554 PolarHBondContact N-O 3.06Å; T2551-Y2554 VanDerWaalsContact N-O 3.15Å; T2551-Y2554 PolarHBondContact O-N 3.4Å; T2551-Y2554 VanDerWaalsContact O-O 3.08Å; T2551-Y2554 VanDerWaalsContact OG1-CB 3.29Å; T2551-Y2554 WeakPolarHBondContact OG1-CB 3.41Å; T2551-Y2554 PolarHBondContact OG1-N 3.07Å; Y2554-I2556 HydrophobicContact CE1-CD1 4.3Å; Y2554-I2556 HydrophobicContact CE1-CG1 4.05Å; Y2554-S2570 PolarHBondContact OH-OG 2.7Å; Y2554-K2572 HydrophobicContact CE2-CB 4.22Å; Y2554-K2572 HydrophobicContact CE2-CD 4.34Å; Y2554-Q2655 HydrophobicContact CD1-CB 4.16Å; Y2554-Q2655 HydrophobicContact CD1-CG 3.64Å; Y2554-Q2655 HydrophobicContact CD2-CG 4.22Å; Y2554-Q2655 HydrophobicContact CE1-CB 4.3Å; Y2554-Q2655 HydrophobicContact CE1-CG 4.27Å; Y2554-Q2655 HydrophobicContact CG-CB 4.34Å; Y2554-Q2655 HydrophobicContact CG-CG 3.61Å; Y2554-F2658 HydrophobicContact CE1-CB 4.19Å; Y2554-E2659 WeakPolarHBondContact OH-CG 3.47Å |
| 2555 | S | 78.9 | Confident | 79.4 | Confident | 19 Ų | 19 | 29.5 Ų | 29.5 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.3 | 175.4 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | Q2547 L2548 | Q2547-S2555 PolarHBondContact NE2-OG 3.08Å; L2548-S2555 CarbonylContact O-C 3.51Å; L2548-S2555 WeakPolarHBondContact O-CA 3.16Å; L2548-S2555 VanDerWaalsContact O-CB 3.31Å; L2548-S2555 WeakPolarHBondContact O-CB 3.39Å |
| 2556 | I | 84.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.7 | 172.6 | -64.9 | 176.4 | 0 | 0 | 0 | 107.6 | Q2547 L2548 I2550 Y2554 I2558 F2568 L2594 F2658 F2662 | Q2547-I2556 WeakPolarHBondContact CA-O 3.48Å; L2548-I2556 PolarHBondContact N-O 2.88Å; L2548-I2556 PolarHBondContact O-N 3.2Å; I2550-I2556 HydrophobicContact CD1-CB 4.42Å; I2550-I2556 HydrophobicContact CD1-CD1 3.68Å; I2550-I2556 HydrophobicContact CD1-CG1 3.81Å; Y2554-I2556 HydrophobicContact CE1-CD1 4.3Å; Y2554-I2556 HydrophobicContact CE1-CG1 4.05Å; I2556-I2558 HydrophobicContact CG2-CG1 4.38Å; I2556-F2568 HydrophobicContact CG2-CB 4.08Å; I2556-F2568 HydrophobicContact CG2-CD1 3.9Å; I2556-F2568 HydrophobicContact CG2-CG 4.49Å; I2556-L2594 HydrophobicContact CD1-CD1 4.34Å; I2556-L2594 HydrophobicContact CG1-CD1 4.35Å; I2556-F2658 HydrophobicContact CD1-CB 4.02Å; I2556-F2658 HydrophobicContact CD1-CD1 3.88Å; I2556-F2658 HydrophobicContact CD1-CG 4.32Å; I2556-F2662 HydrophobicContact CD1-CD2 3.59Å; I2556-F2662 HydrophobicContact CD1-CE2 3.75Å |
| 2557 | C | 84.5 | Confident | 79.8 | Confident | 4.5 Ų | 4.5 | 28.3 Ų | 28.3 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.1 | 173.3 | -116.5 | 0 | 0 | 0 | 0 | 109.2 | G2546 F2568 W2569 W2591 L2923 | G2546-C2557 CarbonylContact O-C 3.53Å; G2546-C2557 WeakPolarHBondContact O-CA 3.46Å; C2557-F2568 CarbonylContact O-C 3.57Å; C2557-F2568 VanDerWaalsContact O-CA 3.29Å; C2557-F2568 WeakPolarHBondContact O-CA 3.31Å; C2557-W2569 HydrophobicContact CB-CB 4.34Å; C2557-W2569 PolarHBondContact N-O 3.21Å; C2557-W2569 VanDerWaalsContact N-O 3.07Å; C2557-W2569 PolarHBondContact O-N 3.04Å; C2557-W2591 HydrophobicContact CB-CE3 4.35Å; C2557-W2591 HydrophobicContact CB-CH2 3.95Å; C2557-W2591 HydrophobicContact CB-CZ3 3.56Å; C2557-W2591 WeakPolarHBondContact SG-CH2 3.42Å; C2557-W2591 WeakPolarHBondContact SG-CZ3 3.46Å; C2557-L2923 HydrophobicContact CB-CD1 3.97Å; C2557-L2923 WeakPolarHBondContact SG-CD1 3.13Å |
| 2558 | I | 88.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.8 | -175 | -46.5 | 176.1 | 0 | 0 | 0 | 107.1 | L2545 G2546 L2548 I2556 V2566 M2567 F2568 I2611 T2613 I2629 | L2545-I2558 CarbonylContact C-O 3.58Å; L2545-I2558 VanDerWaalsContact CA-O 3.25Å; L2545-I2558 WeakPolarHBondContact CA-O 3.14Å; G2546-I2558 PolarHBondContact N-O 2.91Å; G2546-I2558 PolarHBondContact O-N 2.83Å; L2548-I2558 HydrophobicContact CB-CD1 4.42Å; I2556-I2558 HydrophobicContact CG2-CG1 4.38Å; I2558-V2566 HydrophobicContact CG2-CG1 3.33Å; I2558-V2566 VanDerWaalsContact CG2-CG1 3.48Å; I2558-M2567 CarbonylContact C-O 3.56Å; I2558-M2567 VanDerWaalsContact CA-O 3.3Å; I2558-M2567 WeakPolarHBondContact CA-O 3.45Å; I2558-F2568 HydrophobicContact CB-CD1 4.4Å; I2558-F2568 HydrophobicContact CB-CE1 4.46Å; I2558-F2568 HydrophobicContact CD1-CD1 3.98Å; I2558-F2568 HydrophobicContact CD1-CE1 3.56Å; I2558-F2568 VanDerWaalsContact CD1-CE1 3.44Å; I2558-F2568 HydrophobicContact CD1-CZ 4.23Å; I2558-F2568 HydrophobicContact CG1-CD1 3.7Å; I2558-F2568 HydrophobicContact CG1-CE1 3.79Å; I2558-F2568 HydrophobicContact CG1-CG 4.33Å; I2558-F2568 HydrophobicContact CG2-CD1 4.19Å; I2558-F2568 HydrophobicContact CG2-CD2 4.28Å; I2558-F2568 HydrophobicContact CG2-CE1 3.98Å; I2558-F2568 HydrophobicContact CG2-CE2 4.09Å; I2558-F2568 HydrophobicContact CG2-CG 4.27Å; I2558-F2568 HydrophobicContact CG2-CZ 4.04Å; I2558-I2611 HydrophobicContact CB-CD1 4.45Å; I2558-I2611 HydrophobicContact CB-CG2 4.35Å; I2558-I2611 HydrophobicContact CG2-CD1 3.91Å; I2558-I2611 HydrophobicContact CG2-CG2 4.29Å; I2558-T2613 HydrophobicContact CD1-CG2 4.11Å; I2558-I2629 HydrophobicContact CD1-CD1 3.99Å; I2558-I2629 HydrophobicContact CD1-CG1 4.35Å; I2558-I2629 HydrophobicContact CD1-CG2 3.58Å |
| 2559 | S | 87 | Confident | 79.9 | Confident | 0.5 Ų | 0.5 | 28.5 Ų | 28.5 | 0% | 0.003 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.9 | -180 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | H2538 C2544 L2545 V2566 M2567 W2569 | H2538-S2559 PolarHBondContact CD2-OG 3.04Å; H2538-S2559 WeakPolarHBondContact NE2-CB 3.31Å; H2538-S2559 PolarHBondContact NE2-O 2.7Å; H2538-S2559 PolarHBondContact NE2-OG 3.17Å; C2544-S2559 CarbonylContact O-C 3.58Å; C2544-S2559 WeakPolarHBondContact O-CA 3.38Å; L2545-S2559 VanDerWaalsContact CD2-CA 3.47Å; S2559-V2566 CarbonylContact O-C 3.45Å; S2559-V2566 VanDerWaalsContact O-CA 3.24Å; S2559-V2566 WeakPolarHBondContact O-CA 3.42Å; S2559-M2567 PolarHBondContact N-O 2.97Å; S2559-M2567 PolarHBondContact O-N 3.28Å; S2559-M2567 WeakPolarHBondContact OG-CB 3.48Å; S2559-W2569 PolarHBondContact OG-NE1 3.03Å |
| 2560 | G | 84.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I2542 T2543 C2544 S2565 | I2542-G2560 CarbonylContact C-O 3.51Å; I2542-G2560 VanDerWaalsContact CA-O 3.31Å; I2542-G2560 WeakPolarHBondContact CA-O 3.3Å; I2542-G2560 VanDerWaalsContact CG2-O 3.28Å; I2542-G2560 WeakPolarHBondContact CG2-O 3.37Å; T2543-G2560 PolarHBondContact N-O 3.44Å; T2543-G2560 PolarHBondContact OG1-O 3.11Å; C2544-G2560 PolarHBondContact N-O 3.15Å; C2544-G2560 PolarHBondContact O-N 3.45Å; G2560-S2565 CarbonylContact C-O 3.59Å; G2560-S2565 VanDerWaalsContact CA-O 3.27Å; G2560-S2565 WeakPolarHBondContact CA-O 3.43Å |
| 2561 | C | 80.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 159.2 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | H2538 G2540 P2541 D2563 G2564 S2565 I2608 | H2538-C2561 HydrophobicContact CB-CB 4.21Å; H2538-C2561 VanDerWaalsContact ND1-CB 3.3Å; H2538-C2561 WeakPolarHBondContact ND1-CB 3.43Å; G2540-C2561 VanDerWaalsContact C-SG 3.56Å; G2540-C2561 PolarHBondContact O-SG 3.25Å; G2540-C2561 VanDerWaalsContact O-SG 3.36Å; P2541-C2561 PolarHBondContact O-SG 2.61Å; C2561-D2563 WeakPolarHBondContact CB-OD1 3Å; C2561-D2563 PolarHBondContact O-N 3.32Å; C2561-D2563 VanDerWaalsContact O-N 3.15Å; C2561-D2563 PolarHBondContact SG-OD1 3.46Å; C2561-D2563 PolarHBondContact SG-OD2 3.47Å; C2561-D2563 VanDerWaalsContact SG-OD2 3.33Å; C2561-G2564 PolarHBondContact O-N 3.13Å; C2561-S2565 PolarHBondContact N-O 3.04Å; C2561-I2608 PolarHBondContact O-N 2.81Å |
| 2562 | I | 75.6 | Confident | 78.7 | Confident | 89 Ų | 89 | 28 Ų | 28 | 46% | 0.456 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.6 | 174.9 | -162.9 | 160.1 | 0 | 0 | 0 | 112.8 | P2541 T2543 G2564 A2607 | P2541-I2562 HydrophobicContact CG-CB 4.28Å; P2541-I2562 HydrophobicContact CG-CD1 4.44Å; P2541-I2562 HydrophobicContact CG-CG2 4.15Å; P2541-I2562 PolarHBondContact O-N 2.86Å; P2541-I2562 VanDerWaalsContact O-N 3.14Å; T2543-I2562 HydrophobicContact CG2-CB 3.86Å; T2543-I2562 HydrophobicContact CG2-CG1 4.45Å; I2562-G2564 PolarHBondContact O-N 3.2Å; I2562-G2564 VanDerWaalsContact O-N 3.14Å; I2562-A2607 HydrophobicContact CG1-CB 4.11Å |
| 2563 | D | 71.4 | Confident | 77.8 | Confident | 16.5 Ų | 16.5 | 25.5 Ų | 25.5 | 9% | 0.088 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 12.7 | 174.1 | 69 | 9.8 | 0 | 0 | 0 | 113.1 | I1896 S2539 C2561 S2565 P2604 | I1896-D2563 HydrophobicContact CG2-CB 3.68Å; S2539-D2563 WeakPolarHBondContact CB-OD2 3.46Å; S2539-D2563 PolarHBondContact N-OD2 2.96Å; S2539-D2563 PolarHBondContact OG-OD2 2.96Å; C2561-D2563 WeakPolarHBondContact CB-OD1 3Å; C2561-D2563 PolarHBondContact O-N 3.32Å; C2561-D2563 VanDerWaalsContact O-N 3.15Å; C2561-D2563 PolarHBondContact SG-OD1 3.46Å; C2561-D2563 PolarHBondContact SG-OD2 3.47Å; C2561-D2563 VanDerWaalsContact SG-OD2 3.33Å; D2563-S2565 VanDerWaalsContact CG-OG 3.32Å; D2563-S2565 PolarHBondContact O-N 3.06Å; D2563-S2565 VanDerWaalsContact O-N 3.14Å; D2563-S2565 WeakPolarHBondContact OD1-CB 3.35Å; D2563-S2565 PolarHBondContact OD1-N 2.72Å; D2563-S2565 PolarHBondContact OD1-OG 3.21Å; D2563-S2565 PolarHBondContact OD2-OG 2.95Å; D2563-P2604 VanDerWaalsContact C-CB 3.43Å; D2563-P2604 WeakPolarHBondContact O-CB 3.38Å; D2563-P2604 WeakPolarHBondContact O-CG 3.24Å |
| 2564 | G | 76.3 | Confident | 76.5 | Confident | 1.5 Ų | 1.5 | 22.7 Ų | 22.7 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 69.8 | 9.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C2561 I2562 C2599 | C2561-G2564 PolarHBondContact O-N 3.13Å; I2562-G2564 PolarHBondContact O-N 3.2Å; I2562-G2564 VanDerWaalsContact O-N 3.14Å; G2564-C2599 PolarHBondContact O-N 3.47Å |
| 2565 | S | 81.4 | Confident | 74.7 | Confident | 2.5 Ų | 2.5 | 30 Ų | 30 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 152.6 | 175.4 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | H2538 G2560 C2561 D2563 H2596 A2597 I2608 | H2538-S2565 PolarHBondContact CE1-OG 2.96Å; H2538-S2565 PolarHBondContact ND1-OG 2.96Å; G2560-S2565 CarbonylContact C-O 3.59Å; G2560-S2565 VanDerWaalsContact CA-O 3.27Å; G2560-S2565 WeakPolarHBondContact CA-O 3.43Å; C2561-S2565 PolarHBondContact N-O 3.04Å; D2563-S2565 VanDerWaalsContact CG-OG 3.32Å; D2563-S2565 PolarHBondContact O-N 3.06Å; D2563-S2565 VanDerWaalsContact O-N 3.14Å; D2563-S2565 WeakPolarHBondContact OD1-CB 3.35Å; D2563-S2565 PolarHBondContact OD1-N 2.72Å; D2563-S2565 PolarHBondContact OD1-OG 3.21Å; D2563-S2565 PolarHBondContact OD2-OG 2.95Å; S2565-H2596 VanDerWaalsContact CB-NE2 3.25Å; S2565-H2596 WeakPolarHBondContact CB-NE2 3.41Å; S2565-H2596 PolarHBondContact OG-NE2 3.15Å; S2565-A2597 WeakPolarHBondContact CA-O 3.43Å; S2565-I2608 WeakPolarHBondContact O-CG1 3.35Å |
| 2566 | V | 85.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.8 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | I2558 S2559 F2568 H2596 A2597 I2608 I2631 F2672 | I2558-V2566 HydrophobicContact CG2-CG1 3.33Å; I2558-V2566 VanDerWaalsContact CG2-CG1 3.48Å; S2559-V2566 CarbonylContact O-C 3.45Å; S2559-V2566 VanDerWaalsContact O-CA 3.24Å; S2559-V2566 WeakPolarHBondContact O-CA 3.42Å; V2566-F2568 HydrophobicContact CG1-CD2 4.39Å; V2566-F2568 HydrophobicContact CG1-CE2 3.94Å; V2566-F2568 HydrophobicContact CG1-CZ 4.37Å; V2566-H2596 CarbonylContact O-C 3.44Å; V2566-A2597 WeakPolarHBondContact CA-O 3.43Å; V2566-A2597 HydrophobicContact CB-CB 4.47Å; V2566-A2597 PolarHBondContact N-O 2.91Å; V2566-A2597 PolarHBondContact O-N 3.25Å; V2566-I2608 HydrophobicContact CG2-CD1 3.63Å; V2566-I2608 HydrophobicContact CG2-CG1 3.76Å; V2566-I2608 HydrophobicContact CG2-CG2 4.39Å; V2566-I2631 HydrophobicContact CG1-CD1 4.07Å; V2566-I2631 HydrophobicContact CG2-CD1 4.26Å; V2566-I2631 HydrophobicContact CG2-CG2 3.86Å; V2566-F2672 HydrophobicContact CB-CZ 4.06Å; V2566-F2672 HydrophobicContact CG2-CZ 3.98Å |
| 2567 | M | 85.2 | Confident | 70.6 | Confident | 17.5 Ų | 17.5 | 38.5 Ų | 38.5 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.3 | 175.6 | -76.2 | -127.2 | -160.1 | 0 | 0 | 111.1 | Q2537 H2538 I2558 S2559 W2569 P2593 L2595 H2596 | Q2537-M2567 VanDerWaalsContact O-CE 3.31Å; Q2537-M2567 WeakPolarHBondContact O-CE 3.2Å; H2538-M2567 VanDerWaalsContact CE1-CG 3.5Å; H2538-M2567 WeakPolarHBondContact CE1-CG 3.37Å; I2558-M2567 CarbonylContact C-O 3.56Å; I2558-M2567 VanDerWaalsContact CA-O 3.3Å; I2558-M2567 WeakPolarHBondContact CA-O 3.45Å; S2559-M2567 PolarHBondContact N-O 2.97Å; S2559-M2567 PolarHBondContact O-N 3.28Å; S2559-M2567 WeakPolarHBondContact OG-CB 3.48Å; M2567-W2569 HydrophobicContact CB-CD2 4.48Å; M2567-W2569 VanDerWaalsContact CB-CE2 3.49Å; M2567-W2569 HydrophobicContact CB-CZ2 3.58Å; M2567-W2569 VanDerWaalsContact CB-NE1 3.33Å; M2567-W2569 HydrophobicContact CE-CH2 4.23Å; M2567-W2569 HydrophobicContact CE-CZ2 4.44Å; M2567-W2569 HydrophobicContact CG-CZ2 3.99Å; M2567-W2569 PolarHBondContact O-NE1 3.31Å; M2567-W2569 HydrophobicContact SD-CH2 3.56Å; M2567-W2569 VanDerWaalsContact SD-CH2 3.56Å; M2567-W2569 HydrophobicContact SD-CZ2 3.3Å; M2567-W2569 WeakPolarHBondContact SD-CZ2 3.3Å; M2567-P2593 HydrophobicContact CE-CB 4.4Å; M2567-P2593 HydrophobicContact SD-CB 4.48Å; M2567-L2595 CarbonylContact C-O 3.55Å; M2567-L2595 WeakPolarHBondContact CA-O 3.36Å; M2567-H2596 HydrophobicContact CE-CB 4.09Å; M2567-H2596 VanDerWaalsContact CE-CD2 3.42Å; M2567-H2596 WeakPolarHBondContact CE-CD2 3.49Å; M2567-H2596 VanDerWaalsContact CE-CE1 3.43Å; M2567-H2596 WeakPolarHBondContact CE-CE1 3.19Å; M2567-H2596 WeakPolarHBondContact CE-ND1 3.5Å; M2567-H2596 WeakPolarHBondContact CE-NE2 3.29Å; M2567-H2596 HydrophobicContact CG-CB 4.16Å; M2567-H2596 VanDerWaalsContact CG-CD2 3.46Å; M2567-H2596 WeakPolarHBondContact CG-CD2 3.44Å; M2567-H2596 HydrophobicContact SD-CB 3.34Å; M2567-H2596 WeakPolarHBondContact SD-CB 3.35Å |
| 2568 | F | 86.3 | Confident | 68.7 | Low | 0.5 Ų | 0.5 | 44.7 Ų | 44.7 | 0% | 0.002 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.3 | 171.6 | -64 | -106.2 | 0 | 0 | 0 | 109.1 | I2556 C2557 I2558 V2566 L2594 L2595 A2597 I2629 M2640 F2662 | I2556-F2568 HydrophobicContact CG2-CB 4.08Å; I2556-F2568 HydrophobicContact CG2-CD1 3.9Å; I2556-F2568 HydrophobicContact CG2-CG 4.49Å; C2557-F2568 CarbonylContact O-C 3.57Å; C2557-F2568 VanDerWaalsContact O-CA 3.29Å; C2557-F2568 WeakPolarHBondContact O-CA 3.31Å; I2558-F2568 HydrophobicContact CB-CD1 4.4Å; I2558-F2568 HydrophobicContact CB-CE1 4.46Å; I2558-F2568 HydrophobicContact CD1-CD1 3.98Å; I2558-F2568 HydrophobicContact CD1-CE1 3.56Å; I2558-F2568 VanDerWaalsContact CD1-CE1 3.44Å; I2558-F2568 HydrophobicContact CD1-CZ 4.23Å; I2558-F2568 HydrophobicContact CG1-CD1 3.7Å; I2558-F2568 HydrophobicContact CG1-CE1 3.79Å; I2558-F2568 HydrophobicContact CG1-CG 4.33Å; I2558-F2568 HydrophobicContact CG2-CD1 4.19Å; I2558-F2568 HydrophobicContact CG2-CD2 4.28Å; I2558-F2568 HydrophobicContact CG2-CE1 3.98Å; I2558-F2568 HydrophobicContact CG2-CE2 4.09Å; I2558-F2568 HydrophobicContact CG2-CG 4.27Å; I2558-F2568 HydrophobicContact CG2-CZ 4.04Å; V2566-F2568 HydrophobicContact CG1-CD2 4.39Å; V2566-F2568 HydrophobicContact CG1-CE2 3.94Å; V2566-F2568 HydrophobicContact CG1-CZ 4.37Å; F2568-L2594 HydrophobicContact CB-CB 4.45Å; F2568-L2594 PolarHBondContact O-N 3.16Å; F2568-L2595 HydrophobicContact CB-CB 4.1Å; F2568-L2595 HydrophobicContact CD2-CB 3.98Å; F2568-L2595 HydrophobicContact CD2-CD2 3.79Å; F2568-L2595 HydrophobicContact CD2-CG 4.08Å; F2568-L2595 HydrophobicContact CE2-CD2 3.92Å; F2568-L2595 HydrophobicContact CG-CB 4.32Å; F2568-L2595 HydrophobicContact CG-CD2 4.44Å; F2568-L2595 PolarHBondContact N-O 3.21Å; F2568-L2595 PolarHBondContact O-N 3.15Å; F2568-A2597 HydrophobicContact CE2-CB 4.08Å; F2568-I2629 HydrophobicContact CE1-CD1 3.9Å; F2568-M2640 HydrophobicContact CZ-CE 4.21Å; F2568-M2640 HydrophobicContact CZ-SD 3.93Å; F2568-F2662 HydrophobicContact CB-CD1 4.23Å; F2568-F2662 AromaticContact CD1-CD1 3.95Å; F2568-F2662 HydrophobicContact CD1-CD1 3.95Å; F2568-F2662 AromaticContact CD1-CE1 3.51Å; F2568-F2662 HydrophobicContact CD1-CE1 3.51Å; F2568-F2662 AromaticContact CD1-CZ 3.86Å; F2568-F2662 HydrophobicContact CD1-CZ 3.86Å; F2568-F2662 HydrophobicContact CD2-CD1 4.25Å; F2568-F2662 HydrophobicContact CD2-CE1 4.21Å; F2568-F2662 HydrophobicContact CE1-CD1 4.37Å; F2568-F2662 AromaticContact CE1-CE1 3.52Å; F2568-F2662 HydrophobicContact CE1-CE1 3.52Å; F2568-F2662 AromaticContact CE1-CZ 3.82Å; F2568-F2662 HydrophobicContact CE1-CZ 3.82Å; F2568-F2662 HydrophobicContact CE2-CE1 4.23Å; F2568-F2662 AromaticContact CG-CD1 3.89Å; F2568-F2662 HydrophobicContact CG-CD1 3.89Å; F2568-F2662 AromaticContact CG-CE1 3.87Å; F2568-F2662 HydrophobicContact CG-CE1 3.87Å; F2568-F2662 AromaticContact CZ-CE1 3.9Å; F2568-F2662 HydrophobicContact CZ-CE1 3.9Å |
| 2569 | W | 83 | Confident | 66.2 | Low | 29.5 Ų | 29.5 | 48.6 Ų | 48.6 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.2 | -174.4 | -47.9 | 85.4 | 0 | 0 | 0 | 110 | C2557 S2559 M2567 W2591 K2592 P2593 I2931 | C2557-W2569 HydrophobicContact CB-CB 4.34Å; C2557-W2569 PolarHBondContact N-O 3.21Å; C2557-W2569 VanDerWaalsContact N-O 3.07Å; C2557-W2569 PolarHBondContact O-N 3.04Å; S2559-W2569 PolarHBondContact OG-NE1 3.03Å; M2567-W2569 HydrophobicContact CB-CD2 4.48Å; M2567-W2569 VanDerWaalsContact CB-CE2 3.49Å; M2567-W2569 HydrophobicContact CB-CZ2 3.58Å; M2567-W2569 VanDerWaalsContact CB-NE1 3.33Å; M2567-W2569 HydrophobicContact CE-CH2 4.23Å; M2567-W2569 HydrophobicContact CE-CZ2 4.44Å; M2567-W2569 HydrophobicContact CG-CZ2 3.99Å; M2567-W2569 PolarHBondContact O-NE1 3.31Å; M2567-W2569 HydrophobicContact SD-CH2 3.56Å; M2567-W2569 VanDerWaalsContact SD-CH2 3.56Å; M2567-W2569 HydrophobicContact SD-CZ2 3.3Å; M2567-W2569 WeakPolarHBondContact SD-CZ2 3.3Å; W2569-W2591 HydrophobicContact CB-CB 4.37Å; W2569-W2591 HydrophobicContact CB-CD2 4.26Å; W2569-W2591 HydrophobicContact CB-CE3 3.46Å; W2569-W2591 VanDerWaalsContact CB-CE3 3.46Å; W2569-W2591 HydrophobicContact CB-CZ3 4.02Å; W2569-W2591 HydrophobicContact CE3-CB 4.05Å; W2569-W2591 HydrophobicContact CG-CE3 4.27Å; W2569-K2592 WeakPolarHBondContact CA-O 3.36Å; W2569-P2593 HydrophobicContact CE3-CB 4.01Å; W2569-P2593 HydrophobicContact CH2-CB 4.45Å; W2569-P2593 HydrophobicContact CZ3-CB 3.88Å; W2569-P2593 HydrophobicContact CZ3-CG 4.32Å; W2569-I2931 VanDerWaalsContact CD1-CD1 3.45Å; W2569-I2931 HydrophobicContact CD2-CD1 3.83Å; W2569-I2931 HydrophobicContact CG-CD1 3.9Å; W2569-I2931 HydrophobicContact CZ2-CD1 3.79Å; W2569-I2931 HydrophobicContact CZ2-CG1 4.13Å |
| 2570 | S | 77.4 | Confident | 64.1 | Low | 4.5 Ų | 4.5 | 56.4 Ų | 56.4 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 146.4 | 170.7 | 116.3 | 0 | 0 | 0 | 0 | 111.8 | Y2554 K2572 K2592 L2594 E2659 | Y2554-S2570 PolarHBondContact OH-OG 2.7Å; S2570-K2572 PolarHBondContact OG-N 3.14Å; S2570-K2592 PolarHBondContact N-O 3.24Å; S2570-K2592 PolarHBondContact O-N 2.92Å; S2570-K2592 VanDerWaalsContact O-N 3.14Å; S2570-L2594 VanDerWaalsContact CB-CD1 3.47Å; S2570-L2594 WeakPolarHBondContact OG-CD2 3.28Å; S2570-L2594 WeakPolarHBondContact OG-CG 3.4Å; S2570-E2659 PolarHBondContact OG-OE1 3.03Å |
| 2571 | V | 68.5 | Low | 61.8 | Low | 27.5 Ų | 27.5 | 61.4 Ų | 61.4 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | trans | -107.2 | 48.7 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | N2573 S2574 L2577 V2589 W2591 | V2571-N2573 HydrophobicContact CG1-CB 3.79Å; V2571-N2573 WeakPolarHBondContact CG1-OD1 3.45Å; V2571-N2573 PolarHBondContact O-N 3.25Å; V2571-S2574 PolarHBondContact O-N 2.88Å; V2571-L2577 HydrophobicContact CG1-CD1 4.44Å; V2571-V2589 HydrophobicContact CB-CG1 4.43Å; V2571-V2589 HydrophobicContact CG1-CG1 3.92Å; V2571-V2589 HydrophobicContact CG2-CG1 3.89Å; V2571-W2591 HydrophobicContact CB-CE3 4.49Å; V2571-W2591 HydrophobicContact CB-CH2 4.44Å; V2571-W2591 HydrophobicContact CB-CZ3 4.39Å; V2571-W2591 HydrophobicContact CG2-CD2 3.83Å; V2571-W2591 VanDerWaalsContact CG2-CD2 3.42Å; V2571-W2591 HydrophobicContact CG2-CE3 3.44Å; V2571-W2591 HydrophobicContact CG2-CG 4.32Å; V2571-W2591 HydrophobicContact CG2-CH2 3.17Å; V2571-W2591 HydrophobicContact CG2-CZ2 3.52Å; V2571-W2591 HydrophobicContact CG2-CZ3 3.13Å | ||
| 2572 | K | 57.1 | Low | 59.6 | Low | 101 Ų | 101 | 64.5 Ų | 64.5 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 38.5 | -175.6 | -113.5 | -175.2 | 178.2 | 176 | 0 | 112.1 | Y2554 S2570 Q2655 N2656 E2659 | Y2554-K2572 HydrophobicContact CE2-CB 4.22Å; Y2554-K2572 HydrophobicContact CE2-CD 4.34Å; S2570-K2572 PolarHBondContact OG-N 3.14Å; K2572-Q2655 HydrophobicContact CD-CB 4.44Å; K2572-N2656 PolarHBondContact NZ-OD1 3.17Å; K2572-E2659 WeakPolarHBondContact CB-OE1 3.36Å; K2572-E2659 HydrophobicContact CD-CG 4.42Å |
| 2573 | N | 49.4 | Very low | 57.9 | Low | 80.5 Ų | 80.5 | 63.5 Ų | 63.5 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | trans | -114.3 | 78.8 | 178.8 | -75.8 | -13.2 | 0 | 0 | 0 | 112.8 | V2571 E2575 L2577 | V2571-N2573 HydrophobicContact CG1-CB 3.79Å; V2571-N2573 WeakPolarHBondContact CG1-OD1 3.45Å; V2571-N2573 PolarHBondContact O-N 3.25Å; N2573-E2575 WeakPolarHBondContact CB-O 3.26Å; N2573-E2575 PolarHBondContact O-N 3.16Å; N2573-E2575 VanDerWaalsContact O-N 3.08Å; N2573-L2577 HydrophobicContact CB-CD1 4.37Å; N2573-L2577 WeakPolarHBondContact ND2-CD1 3.37Å | ||
| 2574 | S | 43.7 | Very low | 56.5 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 53% | 0.531 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -73.2 | 41.3 | 170 | 57 | 0 | 0 | 0 | 0 | 111.2 | H2553 V2571 | H2553-S2574 PolarHBondContact ND1-O 3.07Å; V2571-S2574 PolarHBondContact O-N 2.88Å |
| 2575 | E | 39.7 | Very low | 54.9 | Low | 159.5 Ų | 159.5 | 71.3 Ų | 71.3 | 75% | 0.745 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -88.4 | 136 | 171.3 | -68.7 | -173.2 | 167.5 | 0 | 0 | 110 | N2573 L2577 | N2573-E2575 WeakPolarHBondContact CB-O 3.26Å; N2573-E2575 PolarHBondContact O-N 3.16Å; N2573-E2575 VanDerWaalsContact O-N 3.08Å; E2575-L2577 VanDerWaalsContact C-N 3.29Å; E2575-L2577 PolarHBondContact O-N 3.13Å |
| 2576 | P | 39.6 | Very low | 53 | Low | 103.5 Ų | 103.5 | 75.9 Ų | 75.9 | 67% | 0.672 | 42% | 0.418 | S | S | * | . | trans | -63.9 | 110.1 | 176.2 | 24.1 | -30.4 | 0 | 0 | 0 | 109.4 | D2578 | P2576-D2578 PolarHBondContact O-N 2.81Š| ||
| 2577 | L | 38.2 | Very low | 51 | Low | 95 Ų | 95 | 83.7 Ų | 83.7 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -63 | 129.6 | 175.4 | -115.7 | 101.3 | 0 | 0 | 0 | 110.4 | V2571 N2573 E2575 L2579 V2582 W2591 | V2571-L2577 HydrophobicContact CG1-CD1 4.44Å; N2573-L2577 HydrophobicContact CB-CD1 4.37Å; N2573-L2577 WeakPolarHBondContact ND2-CD1 3.37Å; E2575-L2577 VanDerWaalsContact C-N 3.29Å; E2575-L2577 PolarHBondContact O-N 3.13Å; L2577-L2579 PolarHBondContact O-N 3.1Å; L2577-V2582 HydrophobicContact CD2-CB 4.35Å; L2577-V2582 HydrophobicContact CD2-CG1 4.37Å; L2577-V2582 HydrophobicContact CD2-CG2 3.5Å; L2577-V2582 VanDerWaalsContact CD2-CG2 3.5Å; L2577-V2582 HydrophobicContact CG-CG2 4.04Å; L2577-W2591 HydrophobicContact CD2-CH2 4.29Å; L2577-W2591 HydrophobicContact CD2-CZ2 3.95Å | ||
| 2578 | D | 43.1 | Very low | 49.3 | Very low | 133 Ų | 133 | 87.6 Ų | 87.6 | 71% | 0.711 | 48% | 0.481 | S | S | * | . | trans | -68.7 | 113.3 | 179.5 | -159.6 | -5.5 | 0 | 0 | 0 | 111.3 | P2576 K2580 N2581 | P2576-D2578 PolarHBondContact O-N 2.81Å; D2578-K2580 PolarHBondContact O-N 3.21Å; D2578-N2581 PolarHBondContact O-N 3.24Å | ||
| 2579 | L | 37.3 | Very low | 47.6 | Very low | 83.5 Ų | 83.5 | 88.9 Ų | 88.9 | 44% | 0.437 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -75.6 | 4.4 | -160 | -118.7 | 137.6 | 0 | 0 | 0 | 114.7 | Q2547 L2577 N2581 K2587 | Q2547-L2579 HydrophobicContact CB-CD1 3.68Å; Q2547-L2579 HydrophobicContact CG-CD1 3.6Å; L2577-L2579 PolarHBondContact O-N 3.1Å; L2579-N2581 PolarHBondContact O-N 3.35Å; L2579-K2587 VanDerWaalsContact CD2-NZ 3.34Å |
| 2580 | K | 42.1 | Very low | 46.3 | Very low | 163 Ų | 163 | 95.9 Ų | 95.9 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -81.7 | -22.4 | -175.6 | -79.9 | -175.4 | 177.7 | 176.4 | 0 | 115 | H2419 D2578 | H2419-K2580 PolarHBondContact CD2-O 3.19Å; D2578-K2580 PolarHBondContact O-N 3.21Å |
| 2581 | N | 37.3 | Very low | 45.6 | Very low | 104.5 Ų | 104.5 | 97.5 Ų | 97.5 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -127.1 | 15.6 | -167.6 | -72.2 | -10.4 | 0 | 0 | 0 | 116.2 | H2419 D2578 L2579 | H2419-N2581 PolarHBondContact NE2-O 3.29Å; D2578-N2581 PolarHBondContact O-N 3.24Å; L2579-N2581 PolarHBondContact O-N 3.35Å |
| 2582 | V | 34.3 | Very low | 45.6 | Very low | 65 Ų | 65 | 102.4 Ų | 102.4 | 39% | 0.394 | 55% | 0.547 | S | S | . | . | trans | -114.5 | 119.3 | -179.4 | -174.5 | 0 | 0 | 0 | 0 | 111 | L2577 D2586 W2591 | L2577-V2582 HydrophobicContact CD2-CB 4.35Å; L2577-V2582 HydrophobicContact CD2-CG1 4.37Å; L2577-V2582 HydrophobicContact CD2-CG2 3.5Å; L2577-V2582 VanDerWaalsContact CD2-CG2 3.5Å; L2577-V2582 HydrophobicContact CG-CG2 4.04Å; V2582-D2586 HydrophobicContact CG1-CB 4.32Å; V2582-W2591 HydrophobicContact CG1-CZ2 3.92Å | ||
| 2583 | S | 40 | Very low | 46.3 | Very low | 68.5 Ų | 68.5 | 99.6 Ų | 99.6 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | trans | -71.2 | 144.5 | 166.8 | 50.5 | 0 | 0 | 0 | 0 | 111 | H2419 A2585 D2586 | H2419-S2583 VanDerWaalsContact CE1-CB 3.49Å; H2419-S2583 WeakPolarHBondContact CE1-CB 3.16Å; S2583-A2585 PolarHBondContact O-N 2.91Å; S2583-D2586 PolarHBondContact O-N 3.06Å | ||
| 2584 | V | 41.3 | Very low | 47.5 | Very low | 120.5 Ų | 120.5 | 96.5 Ų | 96.5 | 73% | 0.73 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -8.5 | -175.6 | -179.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2585 | A | 42.3 | Very low | 49.2 | Very low | 62.5 Ų | 62.5 | 93 Ų | 93 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -21.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S2583 K2587 Y2903 | S2583-A2585 PolarHBondContact O-N 2.91Å; A2585-K2587 PolarHBondContact O-N 2.79Å; A2585-Y2903 HydrophobicContact CB-CD1 4.26Å |
| 2586 | D | 41.2 | Very low | 51.1 | Low | 98 Ų | 98 | 86.4 Ų | 86.4 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | trans | -92.1 | 72.5 | -174 | -94.7 | -18.8 | 0 | 0 | 0 | 112.6 | V2582 S2583 S2588 V2589 | V2582-D2586 HydrophobicContact CG1-CB 4.32Å; S2583-D2586 PolarHBondContact O-N 3.06Å; D2586-S2588 PolarHBondContact O-N 3.11Å; D2586-S2588 VanDerWaalsContact O-N 3.09Å; D2586-V2589 PolarHBondContact O-N 2.94Å | ||
| 2587 | K | 44.6 | Very low | 52.9 | Low | 163.5 Ų | 163.5 | 81.5 Ų | 81.5 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 30.5 | 171.6 | -69 | -173.3 | 179.1 | -178.9 | 0 | 111.4 | L2579 A2585 V2589 | L2579-K2587 VanDerWaalsContact CD2-NZ 3.34Å; A2585-K2587 PolarHBondContact O-N 2.79Å; K2587-V2589 PolarHBondContact O-N 2.93Å |
| 2588 | S | 47.9 | Very low | 54.7 | Low | 100 Ų | 100 | 79.7 Ų | 79.7 | 70% | 0.699 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 27.8 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 111 | D2586 Q2590 | D2586-S2588 PolarHBondContact O-N 3.11Å; D2586-S2588 VanDerWaalsContact O-N 3.09Å; S2588-Q2590 PolarHBondContact O-N 2.86Å |
| 2589 | V | 52.2 | Low | 55.8 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | trans | -84.1 | 105.4 | 173.1 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | V2571 D2586 K2587 W2591 Y2933 | V2571-V2589 HydrophobicContact CB-CG1 4.43Å; V2571-V2589 HydrophobicContact CG1-CG1 3.92Å; V2571-V2589 HydrophobicContact CG2-CG1 3.89Å; D2586-V2589 PolarHBondContact O-N 2.94Å; K2587-V2589 PolarHBondContact O-N 2.93Å; V2589-W2591 VanDerWaalsContact C-N 3.34Å; V2589-W2591 HydrophobicContact CG1-CD2 4.44Å; V2589-W2591 HydrophobicContact CG1-CG 4.41Å; V2589-W2591 VanDerWaalsContact O-CD1 3.23Å; V2589-W2591 PolarHBondContact O-N 3.19Å; V2589-Y2933 HydrophobicContact CB-CD1 4.46Å; V2589-Y2933 HydrophobicContact CG2-CD1 4.48Å | ||
| 2590 | Q | 54.9 | Low | 56.9 | Low | 178 Ų | 178 | 71.9 Ų | 71.9 | 83% | 0.832 | 39% | 0.386 | S | S | * | . | trans | -69.8 | 99.6 | 173.2 | -84.6 | -171.9 | -11.5 | 0 | 0 | 109 | S2588 K2592 | S2588-Q2590 PolarHBondContact O-N 2.86Å; Q2590-K2592 PolarHBondContact O-N 2.75Å | ||
| 2591 | W | 63.5 | Low | 57.5 | Low | 37 Ų | 37 | 68.5 Ų | 68.5 | 14% | 0.14 | 39% | 0.388 | C | S | . | . | trans | -67.9 | 120.7 | 169.5 | -70.7 | 83.5 | 0 | 0 | 0 | 108.9 | C2557 W2569 V2571 L2577 V2582 V2589 L2923 Y2933 | C2557-W2591 HydrophobicContact CB-CE3 4.35Å; C2557-W2591 HydrophobicContact CB-CH2 3.95Å; C2557-W2591 HydrophobicContact CB-CZ3 3.56Å; C2557-W2591 WeakPolarHBondContact SG-CH2 3.42Å; C2557-W2591 WeakPolarHBondContact SG-CZ3 3.46Å; W2569-W2591 HydrophobicContact CB-CB 4.37Å; W2569-W2591 HydrophobicContact CB-CD2 4.26Å; W2569-W2591 HydrophobicContact CB-CE3 3.46Å; W2569-W2591 VanDerWaalsContact CB-CE3 3.46Å; W2569-W2591 HydrophobicContact CB-CZ3 4.02Å; W2569-W2591 HydrophobicContact CE3-CB 4.05Å; W2569-W2591 HydrophobicContact CG-CE3 4.27Å; V2571-W2591 HydrophobicContact CB-CE3 4.49Å; V2571-W2591 HydrophobicContact CB-CH2 4.44Å; V2571-W2591 HydrophobicContact CB-CZ3 4.39Å; V2571-W2591 HydrophobicContact CG2-CD2 3.83Å; V2571-W2591 VanDerWaalsContact CG2-CD2 3.42Å; V2571-W2591 HydrophobicContact CG2-CE3 3.44Å; V2571-W2591 HydrophobicContact CG2-CG 4.32Å; V2571-W2591 HydrophobicContact CG2-CH2 3.17Å; V2571-W2591 HydrophobicContact CG2-CZ2 3.52Å; V2571-W2591 HydrophobicContact CG2-CZ3 3.13Å; L2577-W2591 HydrophobicContact CD2-CH2 4.29Å; L2577-W2591 HydrophobicContact CD2-CZ2 3.95Å; V2582-W2591 HydrophobicContact CG1-CZ2 3.92Å; V2589-W2591 VanDerWaalsContact C-N 3.34Å; V2589-W2591 HydrophobicContact CG1-CD2 4.44Å; V2589-W2591 HydrophobicContact CG1-CG 4.41Å; V2589-W2591 VanDerWaalsContact O-CD1 3.23Å; V2589-W2591 PolarHBondContact O-N 3.19Å; W2591-L2923 HydrophobicContact CH2-CD2 4.09Å; W2591-L2923 HydrophobicContact CZ2-CD2 3.57Å; W2591-Y2933 AromaticContact CZ2-CD2 3.88Å; W2591-Y2933 HydrophobicContact CZ2-CD2 3.88Å; W2591-Y2933 HydrophobicContact CZ2-CG 4.27Å; W2591-Y2933 AromaticContact NE1-CG 3.94Å | ||
| 2592 | K | 67.4 | Low | 58.2 | Low | 131 Ų | 131 | 66.5 Ų | 66.5 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.9 | 173.8 | -171.8 | 178.3 | 178.1 | -176.4 | 0 | 108.1 | W2569 S2570 Q2590 L2594 | W2569-K2592 WeakPolarHBondContact CA-O 3.36Å; S2570-K2592 PolarHBondContact N-O 3.24Å; S2570-K2592 PolarHBondContact O-N 2.92Å; S2570-K2592 VanDerWaalsContact O-N 3.14Å; Q2590-K2592 PolarHBondContact O-N 2.75Å; K2592-L2594 PolarHBondContact O-N 3.04Å; K2592-L2594 VanDerWaalsContact O-N 3.16Å |
| 2593 | P | 73.5 | Confident | 59 | Low | 41.5 Ų | 41.5 | 72.3 Ų | 72.3 | 27% | 0.269 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 120.4 | 169.6 | 27 | -32.4 | 0 | 0 | 0 | 107.9 | M2567 W2569 | M2567-P2593 HydrophobicContact CE-CB 4.4Å; M2567-P2593 HydrophobicContact SD-CB 4.48Å; W2569-P2593 HydrophobicContact CE3-CB 4.01Å; W2569-P2593 HydrophobicContact CH2-CB 4.45Å; W2569-P2593 HydrophobicContact CZ3-CB 3.88Å; W2569-P2593 HydrophobicContact CZ3-CG 4.32Å |
| 2594 | L | 74.4 | Confident | 59.7 | Low | 16 Ų | 16 | 71.6 Ų | 71.6 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -48.6 | 174.5 | -71.3 | -178.7 | 0 | 0 | 0 | 110.4 | I2556 F2568 S2570 K2592 E2659 F2662 | I2556-L2594 HydrophobicContact CD1-CD1 4.34Å; I2556-L2594 HydrophobicContact CG1-CD1 4.35Å; F2568-L2594 HydrophobicContact CB-CB 4.45Å; F2568-L2594 PolarHBondContact O-N 3.16Å; S2570-L2594 VanDerWaalsContact CB-CD1 3.47Å; S2570-L2594 WeakPolarHBondContact OG-CD2 3.28Å; S2570-L2594 WeakPolarHBondContact OG-CG 3.4Å; K2592-L2594 PolarHBondContact O-N 3.04Å; K2592-L2594 VanDerWaalsContact O-N 3.16Å; L2594-E2659 HydrophobicContact CD1-CG 4.46Å; L2594-F2662 CarbonylContact C-O 3.56Å; L2594-F2662 HydrophobicContact CB-CB 3.65Å; L2594-F2662 HydrophobicContact CD1-CB 4Å; L2594-F2662 HydrophobicContact CG-CB 4.47Å |
| 2595 | L | 78.5 | Confident | 60.6 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 137.1 | -175.6 | 176.8 | 68.9 | 0 | 0 | 0 | 110.7 | M2567 F2568 A2597 F2662 M2664 L2670 L2675 | M2567-L2595 CarbonylContact C-O 3.55Å; M2567-L2595 WeakPolarHBondContact CA-O 3.36Å; F2568-L2595 HydrophobicContact CB-CB 4.1Å; F2568-L2595 HydrophobicContact CD2-CB 3.98Å; F2568-L2595 HydrophobicContact CD2-CD2 3.79Å; F2568-L2595 HydrophobicContact CD2-CG 4.08Å; F2568-L2595 HydrophobicContact CE2-CD2 3.92Å; F2568-L2595 HydrophobicContact CG-CB 4.32Å; F2568-L2595 HydrophobicContact CG-CD2 4.44Å; F2568-L2595 PolarHBondContact N-O 3.21Å; F2568-L2595 PolarHBondContact O-N 3.15Å; L2595-A2597 HydrophobicContact CD2-CB 4.34Å; L2595-A2597 HydrophobicContact CG-CB 4.31Å; L2595-F2662 HydrophobicContact CB-CB 4.25Å; L2595-F2662 HydrophobicContact CB-CD1 4.05Å; L2595-F2662 HydrophobicContact CD2-CD1 3.7Å; L2595-F2662 HydrophobicContact CD2-CE1 4.14Å; L2595-M2664 HydrophobicContact CD1-CG 3.89Å; L2595-L2670 HydrophobicContact CD1-CD1 4.22Å; L2595-L2675 HydrophobicContact CD1-CD1 4.03Å; L2595-L2675 HydrophobicContact CD2-CD1 3.63Å; L2595-L2675 HydrophobicContact CD2-CD2 3.63Å; L2595-L2675 HydrophobicContact CD2-CG 4.3Å |
| 2596 | H | 79.4 | Confident | 62.1 | Low | 21.5 Ų | 21.5 | 73.5 Ų | 73.5 | 10% | 0.1 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 106.9 | 167.3 | -175.5 | -162.1 | 0 | 0 | 0 | 108.6 | S2565 V2566 M2567 F2598 T2668 E2669 L2670 | S2565-H2596 VanDerWaalsContact CB-NE2 3.25Å; S2565-H2596 WeakPolarHBondContact CB-NE2 3.41Å; S2565-H2596 PolarHBondContact OG-NE2 3.15Å; V2566-H2596 CarbonylContact O-C 3.44Å; M2567-H2596 HydrophobicContact CE-CB 4.09Å; M2567-H2596 VanDerWaalsContact CE-CD2 3.42Å; M2567-H2596 WeakPolarHBondContact CE-CD2 3.49Å; M2567-H2596 VanDerWaalsContact CE-CE1 3.43Å; M2567-H2596 WeakPolarHBondContact CE-CE1 3.19Å; M2567-H2596 WeakPolarHBondContact CE-ND1 3.5Å; M2567-H2596 WeakPolarHBondContact CE-NE2 3.29Å; M2567-H2596 HydrophobicContact CG-CB 4.16Å; M2567-H2596 VanDerWaalsContact CG-CD2 3.46Å; M2567-H2596 WeakPolarHBondContact CG-CD2 3.44Å; M2567-H2596 HydrophobicContact SD-CB 3.34Å; M2567-H2596 WeakPolarHBondContact SD-CB 3.35Å; H2596-F2598 AromaticContact CE1-CE2 3.64Å; H2596-F2598 AromaticContact CE1-CZ 3.26Å; H2596-F2598 WeakPolarHBondContact CE1-CZ 3.46Å; H2596-F2598 AromaticContact ND1-CE2 3.99Å; H2596-F2598 AromaticContact NE2-CE1 3.87Å; H2596-F2598 AromaticContact NE2-CE2 3.78Å; H2596-F2598 AromaticContact NE2-CZ 3.36Å; H2596-F2598 WeakPolarHBondContact NE2-CZ 3.09Å; H2596-T2668 CarbonylContact C-O 3.57Å; H2596-T2668 WeakPolarHBondContact CA-O 3.24Å; H2596-T2668 WeakPolarHBondContact CB-O 3.29Å; H2596-T2668 PolarHBondContact N-O 2.85Å; H2596-E2669 IonicContact CE1-OE1 2.95Å; H2596-E2669 IonicContact ND1-OE1 2.99Å; H2596-E2669 VanDerWaalsContact O-CA 3.3Å; H2596-E2669 WeakPolarHBondContact O-CA 2.86Å; H2596-L2670 PolarHBondContact O-N 2.9Å |
| 2597 | A | 78.2 | Confident | 64 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2565 V2566 F2568 L2595 L2670 F2672 | S2565-A2597 WeakPolarHBondContact CA-O 3.43Å; V2566-A2597 WeakPolarHBondContact CA-O 3.43Å; V2566-A2597 HydrophobicContact CB-CB 4.47Å; V2566-A2597 PolarHBondContact N-O 2.91Å; V2566-A2597 PolarHBondContact O-N 3.25Å; F2568-A2597 HydrophobicContact CE2-CB 4.08Å; L2595-A2597 HydrophobicContact CD2-CB 4.34Å; L2595-A2597 HydrophobicContact CG-CB 4.31Å; A2597-L2670 CarbonylContact C-O 3.6Å; A2597-L2670 WeakPolarHBondContact CA-O 3.27Å; A2597-F2672 HydrophobicContact CB-CD1 3.76Å; A2597-F2672 HydrophobicContact CB-CE1 3.35Å; A2597-F2672 HydrophobicContact CB-CZ 4.21Å |
| 2598 | F | 75.7 | Confident | 66 | Low | 58 Ų | 58 | 62.8 Ų | 62.8 | 25% | 0.254 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.5 | 174.4 | -4.4 | -89.2 | 0 | 0 | 0 | 110.7 | H2596 S2600 E2669 L2670 C2671 F2672 | H2596-F2598 AromaticContact CE1-CE2 3.64Å; H2596-F2598 AromaticContact CE1-CZ 3.26Å; H2596-F2598 WeakPolarHBondContact CE1-CZ 3.46Å; H2596-F2598 AromaticContact ND1-CE2 3.99Å; H2596-F2598 AromaticContact NE2-CE1 3.87Å; H2596-F2598 AromaticContact NE2-CE2 3.78Å; H2596-F2598 AromaticContact NE2-CZ 3.36Å; H2596-F2598 WeakPolarHBondContact NE2-CZ 3.09Å; F2598-S2600 VanDerWaalsContact C-N 3.25Å; F2598-S2600 PolarHBondContact O-N 3.09Å; F2598-E2669 HydrophobicContact CE2-CB 4.08Å; F2598-E2669 HydrophobicContact CE2-CG 3.93Å; F2598-L2670 PolarHBondContact N-O 3.08Å; F2598-C2671 WeakPolarHBondContact O-CA 3.45Å; F2598-F2672 PolarHBondContact O-N 2.95Å; F2598-F2672 VanDerWaalsContact O-N 3.15Å |
| 2599 | C | 66.1 | Low | 67.9 | Low | 8.5 Ų | 8.5 | 59.9 Ų | 59.9 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -80.5 | 39.8 | 174.2 | -111.1 | 0 | 0 | 0 | 0 | 111.3 | G2564 I2608 Y2633 F2672 | G2564-C2599 PolarHBondContact O-N 3.47Å; C2599-I2608 WeakPolarHBondContact SG-CD1 2.96Å; C2599-Y2633 HydrophobicContact CB-CD1 3.6Å; C2599-Y2633 HydrophobicContact CB-CD2 3.76Å; C2599-Y2633 HydrophobicContact CB-CE1 3.84Å; C2599-Y2633 HydrophobicContact CB-CE2 3.94Å; C2599-Y2633 HydrophobicContact CB-CG 3.57Å; C2599-F2672 HydrophobicContact CB-CD2 4.44Å; C2599-F2672 HydrophobicContact CB-CE2 4.39Å; C2599-F2672 WeakPolarHBondContact SG-CE2 3.17Å |
| 2600 | S | 60.4 | Low | 69.5 | Low | 43.5 Ų | 43.5 | 59.9 Ų | 59.9 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | trans | -109.1 | 52.2 | -179.8 | 126.2 | 0 | 0 | 0 | 0 | 111.8 | F2598 R2603 | F2598-S2600 VanDerWaalsContact C-N 3.25Å; F2598-S2600 PolarHBondContact O-N 3.09Å; S2600-R2603 PolarHBondContact OG-O 2.84Å | ||
| 2601 | A | 54.8 | Low | 71.2 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 76% | 0.76 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -77.6 | -23.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2602 | L | 51 | Low | 72.4 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -97.7 | -38.3 | -166.6 | -78.9 | 170.2 | 0 | 0 | 0 | 114.7 | ||
| 2603 | R | 51.9 | Low | 73.3 | Confident | 186 Ų | 186 | 45.8 Ų | 45.8 | 70% | 0.702 | 25% | 0.247 | S | C | * | . | trans | -179 | 134.9 | 176.4 | -98.4 | 151.1 | -163.1 | -153.2 | 6.2 | 108.5 | S2600 K2605 | S2600-R2603 PolarHBondContact OG-O 2.84Å; R2603-K2605 PolarHBondContact O-N 3.39Å | ||
| 2604 | P | 54.7 | Low | 73.8 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | trans | -68.8 | 120 | 172.2 | 29.8 | -35.4 | 0 | 0 | 0 | 109.7 | D2563 Y2633 | D2563-P2604 VanDerWaalsContact C-CB 3.43Å; D2563-P2604 WeakPolarHBondContact O-CB 3.38Å; D2563-P2604 WeakPolarHBondContact O-CG 3.24Å; P2604-Y2633 WeakPolarHBondContact CA-OH 3.47Å | ||
| 2605 | K | 59.1 | Low | 74.2 | Confident | 157 Ų | 157 | 46 Ų | 46 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | trans | -89 | -28.6 | 177.6 | -171.2 | -178.2 | 175.9 | -156.9 | 0 | 111.4 | R2603 Y2633 | R2603-K2605 PolarHBondContact O-N 3.39Å; K2605-Y2633 PolarHBondContact N-OH 3.39Å | ||
| 2606 | Y | 74.1 | Confident | 74.3 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -128.9 | 158.8 | -178.2 | -57.4 | -77.4 | 0 | 0 | 0 | 110.1 | Y2633 | Y2606-Y2633 HydrophobicContact CD2-CE1 4.3Å; Y2606-Y2633 WeakPolarHBondContact O-CE2 3.18Å |
| 2607 | A | 81.6 | Confident | 74.3 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | trans | -76.7 | 159.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T2543 I2562 S2609 | T2543-A2607 HydrophobicContact CG2-CB 4.39Å; I2562-A2607 HydrophobicContact CG1-CB 4.11Å; A2607-S2609 PolarHBondContact O-N 3.36Å | ||
| 2608 | I | 87.4 | Confident | 74 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 115.6 | 161.6 | -52.5 | -63.8 | 0 | 0 | 0 | 107.2 | T2543 C2544 C2561 S2565 V2566 C2599 I2611 I2631 A2632 Y2633 | T2543-I2608 WeakPolarHBondContact CB-O 3.36Å; T2543-I2608 PolarHBondContact OG1-O 3.2Å; C2544-I2608 VanDerWaalsContact SG-CG2 3.55Å; C2561-I2608 PolarHBondContact O-N 2.81Å; S2565-I2608 WeakPolarHBondContact O-CG1 3.35Å; V2566-I2608 HydrophobicContact CG2-CD1 3.63Å; V2566-I2608 HydrophobicContact CG2-CG1 3.76Å; V2566-I2608 HydrophobicContact CG2-CG2 4.39Å; C2599-I2608 WeakPolarHBondContact SG-CD1 2.96Å; I2608-I2611 HydrophobicContact CG2-CD1 4.35Å; I2608-I2611 HydrophobicContact CG2-CG1 4.1Å; I2608-I2631 HydrophobicContact CD1-CG2 3.99Å; I2608-I2631 HydrophobicContact CG2-CG2 3.88Å; I2608-A2632 WeakPolarHBondContact CA-O 3.24Å; I2608-Y2633 HydrophobicContact CD1-CD2 3.88Å; I2608-Y2633 HydrophobicContact CD1-CG 4.43Å |
| 2609 | S | 86.2 | Confident | 73.7 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -42.7 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | A2607 A2632 I2699 | A2607-S2609 PolarHBondContact O-N 3.36Å; S2609-A2632 PolarHBondContact N-O 2.88Å; S2609-A2632 WeakPolarHBondContact OG-CB 3.1Å; S2609-A2632 PolarHBondContact OG-O 2.75Å; S2609-I2699 VanDerWaalsContact CB-O 3.28Å; S2609-I2699 WeakPolarHBondContact CB-O 3.39Å; S2609-I2699 PolarHBondContact OG-O 3.17Å |
| 2610 | D | 87.7 | Confident | 73.8 | Confident | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 158.3 | -179.6 | -155.9 | 5.1 | 0 | 0 | 0 | 112.5 | A2632 K2701 L2702 | D2610-A2632 PolarHBondContact O-N 2.97Å; D2610-K2701 VanDerWaalsContact OD2-CG 3.26Å; D2610-K2701 WeakPolarHBondContact OD2-CG 3.36Å; D2610-L2702 HydrophobicContact CB-CB 4.37Å; D2610-L2702 HydrophobicContact CB-CG 4.3Å; D2610-L2702 PolarHBondContact OD2-N 3.32Å |
| 2611 | I | 90 | Very high | 74.3 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.2 | 178.2 | -62.4 | 163.1 | 0 | 0 | 0 | 109 | I2558 I2608 Y2630 I2631 | I2558-I2611 HydrophobicContact CB-CD1 4.45Å; I2558-I2611 HydrophobicContact CB-CG2 4.35Å; I2558-I2611 HydrophobicContact CG2-CD1 3.91Å; I2558-I2611 HydrophobicContact CG2-CG2 4.29Å; I2608-I2611 HydrophobicContact CG2-CD1 4.35Å; I2608-I2611 HydrophobicContact CG2-CG1 4.1Å; I2611-Y2630 WeakPolarHBondContact CA-O 3.06Å; I2611-I2631 HydrophobicContact CG1-CG1 4.45Å |
| 2612 | S | 87.9 | Confident | 74.8 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.8 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | Y2630 P2704 I2717 | S2612-Y2630 PolarHBondContact N-O 3.47Å; S2612-Y2630 PolarHBondContact O-N 2.79Å; S2612-P2704 WeakPolarHBondContact OG-CD 3.49Å; S2612-I2717 WeakPolarHBondContact OG-CD1 3.12Å |
| 2613 | T | 87.3 | Confident | 75.7 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.5 | -179.6 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | Q2547 L2548 I2558 L2628 I2629 | Q2547-T2613 PolarHBondContact O-OG1 3.38Å; L2548-T2613 HydrophobicContact CB-CG2 4.28Å; L2548-T2613 HydrophobicContact CD1-CG2 4.22Å; I2558-T2613 HydrophobicContact CD1-CG2 4.11Å; T2613-L2628 CarbonylContact C-O 3.52Å; T2613-L2628 VanDerWaalsContact CA-O 3.28Å; T2613-L2628 WeakPolarHBondContact CA-O 3.44Å; T2613-I2629 HydrophobicContact CG2-CG1 4.46Å; T2613-I2629 HydrophobicContact CG2-CG2 4.3Å |
| 2614 | Q | 83.1 | Confident | 77.1 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.9 | 173.5 | -79.3 | 177 | -36.1 | 0 | 0 | 110.1 | L2628 P2704 Y2706 E2716 | Q2614-L2628 HydrophobicContact CB-CB 4.25Å; Q2614-L2628 HydrophobicContact CB-CD1 4.43Å; Q2614-L2628 PolarHBondContact N-O 3.47Å; Q2614-L2628 PolarHBondContact O-N 2.85Å; Q2614-P2704 HydrophobicContact CG-CB 3.52Å; Q2614-Y2706 PolarHBondContact NE2-O 2.94Å; Q2614-E2716 PolarHBondContact NE2-O 3.42Å |
| 2615 | T | 83.1 | Confident | 78.5 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.3 | 174.7 | -51.5 | 0 | 0 | 0 | 0 | 109 | V2625 Q2626 Y2627 | T2615-V2625 HydrophobicContact CG2-CG1 3.54Å; T2615-Q2626 WeakPolarHBondContact CA-O 3.41Å; T2615-Y2627 HydrophobicContact CG2-CD1 3.76Å; T2615-Y2627 HydrophobicContact CG2-CE1 3.57Å |
| 2616 | Y | 80.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131 | -179.7 | 177.1 | -122 | 0 | 0 | 0 | 110.7 | M2618 V2625 Q2626 P2709 N2710 H2711 L2712 | Y2616-M2618 HydrophobicContact CD1-CG 4.17Å; Y2616-M2618 HydrophobicContact CD1-SD 3.7Å; Y2616-M2618 HydrophobicContact CE1-CB 4.43Å; Y2616-M2618 HydrophobicContact CE1-CG 4.04Å; Y2616-M2618 HydrophobicContact CE1-SD 3.34Å; Y2616-M2618 WeakPolarHBondContact CE1-SD 3.38Å; Y2616-V2625 CarbonylContact O-C 3.6Å; Y2616-V2625 WeakPolarHBondContact O-CA 3.44Å; Y2616-Q2626 PolarHBondContact N-O 3.49Å; Y2616-Q2626 PolarHBondContact O-N 2.89Å; Y2616-P2709 HydrophobicContact CD2-CB 4.28Å; Y2616-P2709 HydrophobicContact CD2-CG 4.06Å; Y2616-P2709 VanDerWaalsContact CD2-O 3.26Å; Y2616-P2709 WeakPolarHBondContact CD2-O 3.19Å; Y2616-P2709 HydrophobicContact CG-CG 4.47Å; Y2616-N2710 WeakPolarHBondContact CE2-O 3.4Å; Y2616-N2710 PolarHBondContact OH-O 2.8Å; Y2616-H2711 WeakPolarHBondContact OH-CA 3.24Å; Y2616-L2712 HydrophobicContact CD1-CD1 3.89Å; Y2616-L2712 HydrophobicContact CE1-CB 3.93Å; Y2616-L2712 HydrophobicContact CE1-CD1 3.85Å; Y2616-L2712 PolarHBondContact OH-N 2.85Å |
| 2617 | V | 80.2 | Confident | 80.4 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.5 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | V2625 | V2617-V2625 HydrophobicContact CG1-CG2 4.5Å; V2617-V2625 HydrophobicContact CG2-CG1 4.49Å; V2617-V2625 HydrophobicContact CG2-CG2 4.23Å |
| 2618 | M | 71 | Confident | 80.6 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 39% | 0.394 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -70.4 | -39.2 | -173.2 | -66.4 | -81.3 | -58.4 | 0 | 0 | 113.3 | Y2616 T2624 Q2626 L2712 | Y2616-M2618 HydrophobicContact CD1-CG 4.17Å; Y2616-M2618 HydrophobicContact CD1-SD 3.7Å; Y2616-M2618 HydrophobicContact CE1-CB 4.43Å; Y2616-M2618 HydrophobicContact CE1-CG 4.04Å; Y2616-M2618 HydrophobicContact CE1-SD 3.34Å; Y2616-M2618 WeakPolarHBondContact CE1-SD 3.38Å; M2618-T2624 VanDerWaalsContact CB-O 3.3Å; M2618-T2624 WeakPolarHBondContact CB-O 3.31Å; M2618-T2624 WeakPolarHBondContact CB-OG1 3.35Å; M2618-T2624 WeakPolarHBondContact CG-O 3.42Å; M2618-T2624 PolarHBondContact N-O 3.37Å; M2618-Q2626 HydrophobicContact CG-CG 4.13Å; M2618-Q2626 HydrophobicContact SD-CG 4.28Å; M2618-Q2626 PolarHBondContact SD-NE2 3.22Å; M2618-L2712 HydrophobicContact SD-CD1 3.65Å |
| 2619 | D | 69.1 | Low | 80.8 | Confident | 69 Ų | 69 | 44.6 Ų | 44.6 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | trans | -149.3 | 116.1 | -174.8 | -178 | -4.8 | 0 | 0 | 0 | 108.8 | S2621 K2622 P2623 | D2619-S2621 PolarHBondContact O-N 3.08Å; D2619-S2621 VanDerWaalsContact OD1-CB 3.31Å; D2619-S2621 WeakPolarHBondContact OD1-CB 3.16Å; D2619-S2621 PolarHBondContact OD1-N 3.07Å; D2619-S2621 PolarHBondContact OD1-OG 3.08Å; D2619-S2621 PolarHBondContact OD2-OG 3.49Å; D2619-S2621 VanDerWaalsContact OD2-OG 3.07Å; D2619-K2622 CarbonylContact O-C 3.54Å; D2619-K2622 PolarHBondContact O-N 2.92Å; D2619-P2623 VanDerWaalsContact O-CA 3.32Å; D2619-P2623 WeakPolarHBondContact O-CA 3.44Å | ||
| 2620 | E | 69.1 | Low | 81 | Confident | 187 Ų | 187 | 42.8 Ų | 42.8 | 87% | 0.874 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -65.5 | -23.5 | 178.3 | -66.7 | -171.2 | 164.9 | 0 | 0 | 112.4 | ||
| 2621 | S | 69.6 | Low | 81.1 | Confident | 95 Ų | 95 | 41.5 Ų | 41.5 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -79.9 | -27.7 | 179.8 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | D2619 | D2619-S2621 PolarHBondContact O-N 3.08Å; D2619-S2621 VanDerWaalsContact OD1-CB 3.31Å; D2619-S2621 WeakPolarHBondContact OD1-CB 3.16Å; D2619-S2621 PolarHBondContact OD1-N 3.07Å; D2619-S2621 PolarHBondContact OD1-OG 3.08Å; D2619-S2621 PolarHBondContact OD2-OG 3.49Å; D2619-S2621 VanDerWaalsContact OD2-OG 3.07Å |
| 2622 | K | 67.3 | Low | 81.1 | Confident | 138 Ų | 138 | 41 Ų | 41 | 60% | 0.6 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -140.8 | 91.9 | 174 | -73 | -175.9 | -178.6 | 177.3 | 0 | 108.3 | D2619 T2624 | D2619-K2622 CarbonylContact O-C 3.54Å; D2619-K2622 PolarHBondContact O-N 2.92Å; K2622-T2624 VanDerWaalsContact C-N 3.29Å; K2622-T2624 PolarHBondContact O-N 2.87Å; K2622-T2624 PolarHBondContact O-OG1 3.5Å |
| 2623 | P | 69.7 | Low | 81.1 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | trans | -67.2 | 87 | -167.5 | 27 | -34.6 | 0 | 0 | 0 | 111 | D2619 V2625 Q2646 | D2619-P2623 VanDerWaalsContact O-CA 3.32Å; D2619-P2623 WeakPolarHBondContact O-CA 3.44Å; P2623-V2625 HydrophobicContact CB-CG2 4.39Å; P2623-Q2646 HydrophobicContact CB-CB 4.31Å; P2623-Q2646 HydrophobicContact CG-CB 4.07Å; P2623-Q2646 WeakPolarHBondContact O-CB 3.49Å; P2623-Q2646 PolarHBondContact O-N 2.8Å | ||
| 2624 | T | 80.1 | Confident | 81.1 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.5 | 162.7 | 37 | 0 | 0 | 0 | 0 | 106.3 | M2618 K2622 L2644 N2645 | M2618-T2624 VanDerWaalsContact CB-O 3.3Å; M2618-T2624 WeakPolarHBondContact CB-O 3.31Å; M2618-T2624 WeakPolarHBondContact CB-OG1 3.35Å; M2618-T2624 WeakPolarHBondContact CG-O 3.42Å; M2618-T2624 PolarHBondContact N-O 3.37Å; K2622-T2624 VanDerWaalsContact C-N 3.29Å; K2622-T2624 PolarHBondContact O-N 2.87Å; K2622-T2624 PolarHBondContact O-OG1 3.5Å; T2624-L2644 WeakPolarHBondContact CA-O 3.22Å; T2624-N2645 HydrophobicContact CG2-CB 3.88Å |
| 2625 | V | 84.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.5 | -173.3 | -174 | 0 | 0 | 0 | 0 | 108.9 | T2615 Y2616 V2617 P2623 Y2627 L2644 Q2646 | T2615-V2625 HydrophobicContact CG2-CG1 3.54Å; Y2616-V2625 CarbonylContact O-C 3.6Å; Y2616-V2625 WeakPolarHBondContact O-CA 3.44Å; V2617-V2625 HydrophobicContact CG1-CG2 4.5Å; V2617-V2625 HydrophobicContact CG2-CG1 4.49Å; V2617-V2625 HydrophobicContact CG2-CG2 4.23Å; P2623-V2625 HydrophobicContact CB-CG2 4.39Å; V2625-Y2627 HydrophobicContact CB-CE2 3.99Å; V2625-Y2627 HydrophobicContact CG1-CD2 4.24Å; V2625-Y2627 HydrophobicContact CG1-CE1 4.09Å; V2625-Y2627 HydrophobicContact CG1-CE2 3.66Å; V2625-L2644 PolarHBondContact N-O 2.72Å; V2625-L2644 PolarHBondContact O-N 2.63Å; V2625-Q2646 VanDerWaalsContact CG2-CD 3.46Å; V2625-Q2646 HydrophobicContact CG2-CG 4.14Å |
| 2626 | Q | 85.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.7 | 174.5 | -58.7 | -166.7 | 3.7 | 0 | 0 | 109.8 | T2615 Y2616 M2618 R2641 I2642 I2643 | T2615-Q2626 WeakPolarHBondContact CA-O 3.41Å; Y2616-Q2626 PolarHBondContact N-O 3.49Å; Y2616-Q2626 PolarHBondContact O-N 2.89Å; M2618-Q2626 HydrophobicContact CG-CG 4.13Å; M2618-Q2626 HydrophobicContact SD-CG 4.28Å; M2618-Q2626 PolarHBondContact SD-NE2 3.22Å; Q2626-R2641 VanDerWaalsContact CD-NH2 3.29Å; Q2626-R2641 VanDerWaalsContact OE1-NE 3.17Å; Q2626-I2642 WeakPolarHBondContact CA-O 3.31Å; Q2626-I2643 HydrophobicContact CG-CD1 4.47Å; Q2626-I2643 HydrophobicContact CG-CG1 4.07Å; Q2626-I2643 HydrophobicContact CG-CG2 4.31Å |
| 2627 | Y | 87.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.4 | 174.7 | -61.2 | -85.4 | 0 | 0 | 0 | 108.9 | L2548 I2550 T2615 V2625 R2641 I2642 L2644 Q2646 F2658 | L2548-Y2627 HydrophobicContact CD1-CD1 4.06Å; L2548-Y2627 HydrophobicContact CG-CD1 4.41Å; I2550-Y2627 HydrophobicContact CB-CE1 4.39Å; I2550-Y2627 HydrophobicContact CG1-CE1 4.32Å; I2550-Y2627 HydrophobicContact CG2-CE1 4.37Å; I2550-Y2627 PolarHBondContact O-OH 3.48Å; T2615-Y2627 HydrophobicContact CG2-CD1 3.76Å; T2615-Y2627 HydrophobicContact CG2-CE1 3.57Å; V2625-Y2627 HydrophobicContact CB-CE2 3.99Å; V2625-Y2627 HydrophobicContact CG1-CD2 4.24Å; V2625-Y2627 HydrophobicContact CG1-CE1 4.09Å; V2625-Y2627 HydrophobicContact CG1-CE2 3.66Å; Y2627-R2641 WeakPolarHBondContact O-CA 3.46Å; Y2627-I2642 PolarHBondContact N-O 3.01Å; Y2627-I2642 PolarHBondContact O-N 3.48Å; Y2627-L2644 HydrophobicContact CD2-CD1 4.17Å; Y2627-L2644 HydrophobicContact CE2-CB 4.44Å; Y2627-L2644 HydrophobicContact CE2-CD1 3.95Å; Y2627-Q2646 PolarHBondContact OH-NE2 2.99Å; Y2627-F2658 HydrophobicContact CD1-CZ 4.28Å; Y2627-F2658 HydrophobicContact CD2-CE2 4.23Å; Y2627-F2658 AromaticContact CD2-CZ 3.59Å; Y2627-F2658 HydrophobicContact CD2-CZ 3.59Å; Y2627-F2658 HydrophobicContact CE1-CZ 4.42Å; Y2627-F2658 AromaticContact CE2-CE2 3.89Å; Y2627-F2658 HydrophobicContact CE2-CE2 3.89Å; Y2627-F2658 AromaticContact CE2-CZ 3.72Å; Y2627-F2658 HydrophobicContact CE2-CZ 3.72Å; Y2627-F2658 AromaticContact CG-CZ 3.86Å; Y2627-F2658 HydrophobicContact CG-CZ 3.86Å |
| 2628 | L | 87.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.9 | -177.8 | -67.8 | 158.1 | 0 | 0 | 0 | 109.1 | T2613 Q2614 Y2630 R2639 M2640 R2641 C2715 | T2613-L2628 CarbonylContact C-O 3.52Å; T2613-L2628 VanDerWaalsContact CA-O 3.28Å; T2613-L2628 WeakPolarHBondContact CA-O 3.44Å; Q2614-L2628 HydrophobicContact CB-CB 4.25Å; Q2614-L2628 HydrophobicContact CB-CD1 4.43Å; Q2614-L2628 PolarHBondContact N-O 3.47Å; Q2614-L2628 PolarHBondContact O-N 2.85Å; L2628-Y2630 HydrophobicContact CB-CD2 4.28Å; L2628-Y2630 HydrophobicContact CB-CE2 3.57Å; L2628-Y2630 HydrophobicContact CG-CE2 4.46Å; L2628-R2639 HydrophobicContact CD2-CG 4.35Å; L2628-M2640 WeakPolarHBondContact CA-O 3.46Å; L2628-R2641 HydrophobicContact CD2-CB 3.82Å; L2628-R2641 HydrophobicContact CD2-CG 3.77Å; L2628-C2715 HydrophobicContact CD1-CB 4.01Å |
| 2629 | I | 90.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128 | 177.2 | -48.8 | 173.6 | 0 | 0 | 0 | 107.7 | L2548 I2558 F2568 T2613 I2631 R2639 M2640 F2662 | L2548-I2629 HydrophobicContact CD1-CG1 4.27Å; L2548-I2629 HydrophobicContact CD2-CD1 3.9Å; L2548-I2629 HydrophobicContact CD2-CG1 4.25Å; I2558-I2629 HydrophobicContact CD1-CD1 3.99Å; I2558-I2629 HydrophobicContact CD1-CG1 4.35Å; I2558-I2629 HydrophobicContact CD1-CG2 3.58Å; F2568-I2629 HydrophobicContact CE1-CD1 3.9Å; T2613-I2629 HydrophobicContact CG2-CG1 4.46Å; T2613-I2629 HydrophobicContact CG2-CG2 4.3Å; I2629-I2631 HydrophobicContact CG2-CD1 4.42Å; I2629-I2631 HydrophobicContact CG2-CG1 4.24Å; I2629-R2639 CarbonylContact O-C 3.54Å; I2629-R2639 WeakPolarHBondContact O-CA 3.48Å; I2629-M2640 HydrophobicContact CB-CB 4.18Å; I2629-M2640 HydrophobicContact CD1-SD 4.45Å; I2629-M2640 PolarHBondContact N-O 2.92Å; I2629-M2640 PolarHBondContact O-N 2.82Å; I2629-F2662 HydrophobicContact CD1-CZ 4.37Å |
| 2630 | Y | 90.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.5 | -178.1 | -60.7 | -100.1 | 0 | 0 | 0 | 110.1 | I2611 S2612 L2628 W2638 R2639 I2717 | I2611-Y2630 WeakPolarHBondContact CA-O 3.06Å; S2612-Y2630 PolarHBondContact N-O 3.47Å; S2612-Y2630 PolarHBondContact O-N 2.79Å; L2628-Y2630 HydrophobicContact CB-CD2 4.28Å; L2628-Y2630 HydrophobicContact CB-CE2 3.57Å; L2628-Y2630 HydrophobicContact CG-CE2 4.46Å; Y2630-W2638 CarbonylContact C-O 3.59Å; Y2630-W2638 VanDerWaalsContact CA-O 3.23Å; Y2630-W2638 WeakPolarHBondContact CA-O 3.49Å; Y2630-R2639 HydrophobicContact CD1-CB 3.88Å; Y2630-R2639 HydrophobicContact CD1-CG 3.93Å; Y2630-R2639 HydrophobicContact CE1-CB 3.93Å; Y2630-R2639 HydrophobicContact CE1-CG 3.57Å; Y2630-I2717 HydrophobicContact CD1-CD1 3.78Å; Y2630-I2717 HydrophobicContact CD1-CG1 4.35Å; Y2630-I2717 HydrophobicContact CD2-CD1 3.02Å; Y2630-I2717 HydrophobicContact CD2-CG1 3.91Å; Y2630-I2717 HydrophobicContact CE1-CD1 4.1Å; Y2630-I2717 HydrophobicContact CE1-CG1 4.22Å; Y2630-I2717 HydrophobicContact CE2-CD1 3.35Å; Y2630-I2717 HydrophobicContact CE2-CG1 3.69Å; Y2630-I2717 HydrophobicContact CG-CD1 3.21Å; Y2630-I2717 HydrophobicContact CG-CG1 4.18Å |
| 2631 | I | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.3 | -172.7 | -58.5 | 169.7 | 0 | 0 | 0 | 108 | V2566 I2608 I2611 I2629 W2638 M2640 F2672 | V2566-I2631 HydrophobicContact CG1-CD1 4.07Å; V2566-I2631 HydrophobicContact CG2-CD1 4.26Å; V2566-I2631 HydrophobicContact CG2-CG2 3.86Å; I2608-I2631 HydrophobicContact CD1-CG2 3.99Å; I2608-I2631 HydrophobicContact CG2-CG2 3.88Å; I2611-I2631 HydrophobicContact CG1-CG1 4.45Å; I2629-I2631 HydrophobicContact CG2-CD1 4.42Å; I2629-I2631 HydrophobicContact CG2-CG1 4.24Å; I2631-W2638 HydrophobicContact CB-CB 4.29Å; I2631-W2638 PolarHBondContact N-O 2.83Å; I2631-W2638 PolarHBondContact O-N 3.06Å; I2631-M2640 HydrophobicContact CD1-CE 3.87Å; I2631-M2640 HydrophobicContact CD1-SD 4.49Å; I2631-F2672 HydrophobicContact CD1-CE1 4.2Å; I2631-F2672 HydrophobicContact CD1-CE2 4.14Å; I2631-F2672 HydrophobicContact CD1-CZ 3.53Å; I2631-F2672 HydrophobicContact CG2-CE2 4.49Å |
| 2632 | A | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2608 S2609 D2610 I2699 L2702 | I2608-A2632 WeakPolarHBondContact CA-O 3.24Å; S2609-A2632 PolarHBondContact N-O 2.88Å; S2609-A2632 WeakPolarHBondContact OG-CB 3.1Å; S2609-A2632 PolarHBondContact OG-O 2.75Å; D2610-A2632 PolarHBondContact O-N 2.97Å; A2632-I2699 HydrophobicContact CB-CB 3.98Å; A2632-I2699 HydrophobicContact CB-CG2 3.68Å; A2632-L2702 HydrophobicContact CB-CD1 3.81Å; A2632-L2702 HydrophobicContact CB-CD2 4.46Å; A2632-L2702 HydrophobicContact CB-CG 4.05Å |
| 2633 | Y | 88 | Confident | 85.9 | Confident | 12 Ų | 12 | 15.5 Ų | 15.5 | 5% | 0.047 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 92.6 | 179.5 | 173.1 | -101.8 | 0 | 0 | 0 | 109.7 | C2599 P2604 K2605 Y2606 I2608 E2635 N2636 | C2599-Y2633 HydrophobicContact CB-CD1 3.6Å; C2599-Y2633 HydrophobicContact CB-CD2 3.76Å; C2599-Y2633 HydrophobicContact CB-CE1 3.84Å; C2599-Y2633 HydrophobicContact CB-CE2 3.94Å; C2599-Y2633 HydrophobicContact CB-CG 3.57Å; P2604-Y2633 WeakPolarHBondContact CA-OH 3.47Å; K2605-Y2633 PolarHBondContact N-OH 3.39Å; Y2606-Y2633 HydrophobicContact CD2-CE1 4.3Å; Y2606-Y2633 WeakPolarHBondContact O-CE2 3.18Å; I2608-Y2633 HydrophobicContact CD1-CD2 3.88Å; I2608-Y2633 HydrophobicContact CD1-CG 4.43Å; Y2633-E2635 PolarHBondContact O-N 3.32Å; Y2633-N2636 CarbonylContact C-O 3.5Å; Y2633-N2636 PolarHBondContact N-O 2.68Å; Y2633-N2636 PolarHBondContact O-N 3.45Å |
| 2634 | G | 86.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 13.9 Ų | 13.9 | 5% | 0.052 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -126.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N2636 P2698 I2699 | G2634-N2636 PolarHBondContact O-N 3.47Å; G2634-P2698 CarbonylContact O-C 3.57Å; G2634-P2698 WeakPolarHBondContact O-CA 3.39Å; G2634-I2699 PolarHBondContact O-N 3.25Å |
| 2635 | E | 83.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 15.6 Ų | 15.6 | 25% | 0.252 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12 | 176.4 | -72.3 | 159.3 | -153.5 | 0 | 0 | 113.3 | Y2633 T2694 A2695 H2697 P2698 | Y2633-E2635 PolarHBondContact O-N 3.32Å; E2635-T2694 HydrophobicContact CB-CG2 4.16Å; E2635-T2694 CarbonylContact O-C 3.53Å; E2635-T2694 WeakPolarHBondContact O-CA 3.39Å; E2635-A2695 PolarHBondContact O-N 2.89Å; E2635-H2697 VanDerWaalsContact CG-C 3.5Å; E2635-P2698 HydrophobicContact CG-CG 4.03Å |
| 2636 | N | 86.7 | Confident | 86.4 | Confident | 43 Ų | 43 | 17.2 Ų | 17.2 | 23% | 0.23 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.9 | -174.1 | -67.3 | -32.6 | 0 | 0 | 0 | 111.8 | Y2633 G2634 F2693 T2694 | Y2633-N2636 CarbonylContact C-O 3.5Å; Y2633-N2636 PolarHBondContact N-O 2.68Å; Y2633-N2636 PolarHBondContact O-N 3.45Å; G2634-N2636 PolarHBondContact O-N 3.47Å; N2636-F2693 CarbonylContact C-O 3.47Å; N2636-F2693 WeakPolarHBondContact CA-O 3.47Å; N2636-T2694 WeakPolarHBondContact OD1-CG2 3.4Å; N2636-T2694 PolarHBondContact OD1-OG1 2.87Å |
| 2637 | L | 87.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.3 | 169.4 | -178.6 | 61 | 0 | 0 | 0 | 109 | F2693 I2699 L2702 V2729 | L2637-F2693 HydrophobicContact CB-CB 4.31Å; L2637-F2693 PolarHBondContact N-O 3.33Å; L2637-F2693 WeakPolarHBondContact O-CD2 3.25Å; L2637-F2693 PolarHBondContact O-N 2.6Å; L2637-I2699 HydrophobicContact CB-CD1 3.64Å; L2637-I2699 HydrophobicContact CD1-CD1 4.49Å; L2637-I2699 HydrophobicContact CG-CD1 4.49Å; L2637-L2702 HydrophobicContact CD1-CD1 3.58Å; L2637-L2702 HydrophobicContact CD1-CD2 3.8Å; L2637-L2702 HydrophobicContact CD1-CG 4.34Å; L2637-V2729 HydrophobicContact CD2-CB 4.34Å; L2637-V2729 HydrophobicContact CD2-CG1 4.09Å; L2637-V2729 HydrophobicContact CD2-CG2 4Å |
| 2638 | W | 87.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 26.4 Ų | 26.4 | 13% | 0.125 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.8 | 173.1 | -68.2 | 88.5 | 0 | 0 | 0 | 109.8 | Y2630 I2631 F2672 I2690 V2691 C2692 | Y2630-W2638 CarbonylContact C-O 3.59Å; Y2630-W2638 VanDerWaalsContact CA-O 3.23Å; Y2630-W2638 WeakPolarHBondContact CA-O 3.49Å; I2631-W2638 HydrophobicContact CB-CB 4.29Å; I2631-W2638 PolarHBondContact N-O 2.83Å; I2631-W2638 PolarHBondContact O-N 3.06Å; W2638-F2672 HydrophobicContact CB-CD2 4.38Å; W2638-F2672 HydrophobicContact CB-CE2 4.42Å; W2638-F2672 HydrophobicContact CD2-CB 4.29Å; W2638-F2672 AromaticContact CD2-CD2 3.69Å; W2638-F2672 HydrophobicContact CD2-CD2 3.69Å; W2638-F2672 HydrophobicContact CD2-CE2 4.47Å; W2638-F2672 HydrophobicContact CD2-CG 4.38Å; W2638-F2672 AromaticContact CE2-CD2 3.94Å; W2638-F2672 HydrophobicContact CE3-CB 3.87Å; W2638-F2672 HydrophobicContact CE3-CD2 4.1Å; W2638-F2672 HydrophobicContact CE3-CG 4.33Å; W2638-F2672 AromaticContact CG-CD2 3.81Å; W2638-F2672 HydrophobicContact CG-CD2 3.81Å; W2638-F2672 HydrophobicContact CG-CE2 4.13Å; W2638-F2672 HydrophobicContact CH2-CB 4.14Å; W2638-F2672 HydrophobicContact CZ3-CB 3.77Å; W2638-I2690 HydrophobicContact CE3-CG2 3.8Å; W2638-I2690 HydrophobicContact CZ3-CG2 4.12Å; W2638-V2691 CarbonylContact C-O 3.58Å; W2638-V2691 WeakPolarHBondContact CA-O 3.2Å; W2638-C2692 HydrophobicContact CD2-CB 3.83Å; W2638-C2692 VanDerWaalsContact CE2-SG 3.58Å; W2638-C2692 HydrophobicContact CE3-CB 3.66Å; W2638-C2692 HydrophobicContact CH2-CB 3.82Å; W2638-C2692 HydrophobicContact CZ2-CB 3.98Å; W2638-C2692 HydrophobicContact CZ3-CB 3.66Å |
| 2639 | R | 86.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 29 Ų | 29 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.6 | 171.3 | 178.4 | -167 | 76.9 | -168.6 | 4.5 | 108.9 | L2628 I2629 Y2630 D2689 I2690 V2691 F2693 | L2628-R2639 HydrophobicContact CD2-CG 4.35Å; I2629-R2639 CarbonylContact O-C 3.54Å; I2629-R2639 WeakPolarHBondContact O-CA 3.48Å; Y2630-R2639 HydrophobicContact CD1-CB 3.88Å; Y2630-R2639 HydrophobicContact CD1-CG 3.93Å; Y2630-R2639 HydrophobicContact CE1-CB 3.93Å; Y2630-R2639 HydrophobicContact CE1-CG 3.57Å; R2639-D2689 IonicContact CZ-OD2 2.65Å; R2639-D2689 IonicContact NE-OD2 3.59Å; R2639-D2689 IonicContact NH2-OD2 3.47Å; R2639-D2689 PolarHBondContact NH2-OD2 3.1Å; R2639-I2690 CarbonylContact O-C 3.48Å; R2639-I2690 WeakPolarHBondContact O-CA 3.43Å; R2639-V2691 PolarHBondContact N-O 3.11Å; R2639-V2691 PolarHBondContact O-N 3.01Å; R2639-F2693 HydrophobicContact CB-CD2 4.43Å; R2639-F2693 HydrophobicContact CB-CE2 3.68Å |
| 2640 | M | 87.8 | Confident | 85 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.9 | 166.7 | -56.9 | 173 | 179.4 | 0 | 0 | 108.5 | F2568 L2628 I2629 I2631 F2672 L2675 W2679 I2690 | F2568-M2640 HydrophobicContact CZ-CE 4.21Å; F2568-M2640 HydrophobicContact CZ-SD 3.93Å; L2628-M2640 WeakPolarHBondContact CA-O 3.46Å; I2629-M2640 HydrophobicContact CB-CB 4.18Å; I2629-M2640 HydrophobicContact CD1-SD 4.45Å; I2629-M2640 PolarHBondContact N-O 2.92Å; I2629-M2640 PolarHBondContact O-N 2.82Å; I2631-M2640 HydrophobicContact CD1-CE 3.87Å; I2631-M2640 HydrophobicContact CD1-SD 4.49Å; M2640-F2672 HydrophobicContact CE-CD1 3.23Å; M2640-F2672 HydrophobicContact CE-CE1 3.04Å; M2640-F2672 HydrophobicContact CE-CE2 4.46Å; M2640-F2672 HydrophobicContact CE-CG 4.1Å; M2640-F2672 HydrophobicContact CE-CZ 3.74Å; M2640-L2675 HydrophobicContact CE-CD2 4.08Å; M2640-W2679 HydrophobicContact CB-CH2 4.05Å; M2640-W2679 HydrophobicContact CB-CZ3 3.94Å; M2640-W2679 HydrophobicContact CG-CH2 4.26Å; M2640-W2679 HydrophobicContact CG-CZ3 4.31Å; M2640-W2679 HydrophobicContact SD-CH2 3.89Å; M2640-I2690 HydrophobicContact CG-CD1 4.28Å; M2640-I2690 HydrophobicContact CG-CG1 4.11Å; M2640-I2690 HydrophobicContact CG-CG2 4.24Å |
| 2641 | R | 84.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129 | 175.8 | -179 | -174.9 | -168.3 | -161.5 | 5.3 | 108.7 | Q2626 Y2627 L2628 I2643 S2688 D2689 | Q2626-R2641 VanDerWaalsContact CD-NH2 3.29Å; Q2626-R2641 VanDerWaalsContact OE1-NE 3.17Å; Y2627-R2641 WeakPolarHBondContact O-CA 3.46Å; L2628-R2641 HydrophobicContact CD2-CB 3.82Å; L2628-R2641 HydrophobicContact CD2-CG 3.77Å; R2641-I2643 HydrophobicContact CG-CG1 4.25Å; R2641-S2688 WeakPolarHBondContact O-CA 3.37Å; R2641-S2688 WeakPolarHBondContact O-CB 3.32Å; R2641-D2689 VanDerWaalsContact CB-OD1 3.31Å; R2641-D2689 WeakPolarHBondContact CB-OD1 3.28Å; R2641-D2689 VanDerWaalsContact CD-OD1 3.32Å; R2641-D2689 WeakPolarHBondContact CD-OD1 3.34Å; R2641-D2689 PolarHBondContact N-O 3.09Å; R2641-D2689 PolarHBondContact O-N 3.18Å; R2641-D2689 VanDerWaalsContact O-N 3.14Å |
| 2642 | I | 85.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.9 | 176.5 | -56.7 | 169.1 | 0 | 0 | 0 | 107.4 | Q2626 Y2627 L2644 F2658 L2661 F2662 W2679 | Q2626-I2642 WeakPolarHBondContact CA-O 3.31Å; Y2627-I2642 PolarHBondContact N-O 3.01Å; Y2627-I2642 PolarHBondContact O-N 3.48Å; I2642-L2644 HydrophobicContact CG2-CD1 3.91Å; I2642-L2644 HydrophobicContact CG2-CG 4.06Å; I2642-F2658 HydrophobicContact CD1-CE1 3.98Å; I2642-L2661 HydrophobicContact CG2-CD1 4.23Å; I2642-F2662 HydrophobicContact CD1-CE2 4.36Å; I2642-F2662 HydrophobicContact CD1-CZ 4.18Å; I2642-W2679 HydrophobicContact CD1-CH2 3.85Å; I2642-W2679 HydrophobicContact CD1-CZ2 4.35Å; I2642-W2679 HydrophobicContact CD1-CZ3 4.27Å; I2642-W2679 HydrophobicContact CG1-CH2 4.05Å; I2642-W2679 HydrophobicContact CG1-CZ3 3.95Å |
| 2643 | I | 82.7 | Confident | 83.7 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.5 | 176.8 | -51 | -174.5 | 0 | 0 | 0 | 109 | Q2626 R2641 C2687 | Q2626-I2643 HydrophobicContact CG-CD1 4.47Å; Q2626-I2643 HydrophobicContact CG-CG1 4.07Å; Q2626-I2643 HydrophobicContact CG-CG2 4.31Å; R2641-I2643 HydrophobicContact CG-CG1 4.25Å; I2643-C2687 HydrophobicContact CB-CB 4.05Å; I2643-C2687 WeakPolarHBondContact CB-O 3.04Å; I2643-C2687 HydrophobicContact CD1-CB 3.68Å; I2643-C2687 HydrophobicContact CG1-CB 4.02Å; I2643-C2687 PolarHBondContact N-O 3.47Å |
| 2644 | L | 83.8 | Confident | 83.4 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.7 | -180 | -79.1 | 159 | 0 | 0 | 0 | 110.7 | T2624 V2625 Y2627 I2642 Q2646 T2657 F2658 I2685 | T2624-L2644 WeakPolarHBondContact CA-O 3.22Å; V2625-L2644 PolarHBondContact N-O 2.72Å; V2625-L2644 PolarHBondContact O-N 2.63Å; Y2627-L2644 HydrophobicContact CD2-CD1 4.17Å; Y2627-L2644 HydrophobicContact CE2-CB 4.44Å; Y2627-L2644 HydrophobicContact CE2-CD1 3.95Å; I2642-L2644 HydrophobicContact CG2-CD1 3.91Å; I2642-L2644 HydrophobicContact CG2-CG 4.06Å; L2644-Q2646 PolarHBondContact O-N 3.01Å; L2644-T2657 HydrophobicContact CD2-CG2 3.86Å; L2644-F2658 HydrophobicContact CD1-CD2 3.97Å; L2644-F2658 HydrophobicContact CD1-CE2 3.18Å; L2644-F2658 HydrophobicContact CD1-CZ 3.53Å; L2644-I2685 HydrophobicContact CD2-CG1 4.47Å |
| 2645 | N | 81.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 106.2 | 170.5 | -176.6 | 3.4 | 0 | 0 | 0 | 109.9 | T2624 S2647 | T2624-N2645 HydrophobicContact CG2-CB 3.88Å; N2645-S2647 WeakPolarHBondContact OD1-CB 3.37Å; N2645-S2647 PolarHBondContact OD1-N 3.5Å; N2645-S2647 PolarHBondContact OD1-OG 3.25Å |
| 2646 | Q | 81.4 | Confident | 83.2 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -89.7 | 1.7 | -175.1 | -57.5 | -177.1 | -4 | 0 | 0 | 113.4 | P2623 V2625 Y2627 L2644 N2648 M2649 I2654 | P2623-Q2646 HydrophobicContact CB-CB 4.31Å; P2623-Q2646 HydrophobicContact CG-CB 4.07Å; P2623-Q2646 WeakPolarHBondContact O-CB 3.49Å; P2623-Q2646 PolarHBondContact O-N 2.8Å; V2625-Q2646 VanDerWaalsContact CG2-CD 3.46Å; V2625-Q2646 HydrophobicContact CG2-CG 4.14Å; Y2627-Q2646 PolarHBondContact OH-NE2 2.99Å; L2644-Q2646 PolarHBondContact O-N 3.01Å; Q2646-N2648 PolarHBondContact O-N 3.28Å; Q2646-M2649 PolarHBondContact O-N 3.04Å; Q2646-I2654 HydrophobicContact CB-CD1 4.15Å; Q2646-I2654 HydrophobicContact CG-CD1 3.88Å; Q2646-I2654 HydrophobicContact CG-CG1 4.39Å | ||
| 2647 | S | 78.5 | Confident | 83.1 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.9 | -171.4 | 74.6 | 0 | 0 | 0 | 0 | 114.4 | N2645 | N2645-S2647 WeakPolarHBondContact OD1-CB 3.37Å; N2645-S2647 PolarHBondContact OD1-N 3.5Å; N2645-S2647 PolarHBondContact OD1-OG 3.25Å |
| 2648 | N | 77.9 | Confident | 82.9 | Confident | 154 Ų | 154 | 44.7 Ų | 44.7 | 82% | 0.824 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 11.2 | -176.4 | -65.3 | -2.8 | 0 | 0 | 0 | 113.5 | Q2646 | Q2646-N2648 PolarHBondContact O-N 3.28Š|
| 2649 | M | 80.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | trans | -100.8 | 134.9 | -176.4 | -64.4 | -176.1 | 76.1 | 0 | 0 | 110.5 | Q2646 D2653 I2654 T2657 | Q2646-M2649 PolarHBondContact O-N 3.04Å; M2649-D2653 HydrophobicContact CB-CB 4.21Å; M2649-D2653 HydrophobicContact CE-CB 3.97Å; M2649-I2654 HydrophobicContact CB-CD1 4.41Å; M2649-I2654 HydrophobicContact CB-CG1 3.79Å; M2649-I2654 HydrophobicContact CE-CG1 4.3Å; M2649-I2654 HydrophobicContact SD-CG1 4.34Å; M2649-T2657 VanDerWaalsContact CE-OG1 3.23Å; M2649-T2657 WeakPolarHBondContact CE-OG1 3.37Å | ||
| 2650 | S | 82.6 | Confident | 82.2 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | trans | -72.2 | 161.9 | 167.1 | 75.9 | 0 | 0 | 0 | 0 | 110.6 | N2652 D2653 I2654 | S2650-N2652 PolarHBondContact O-N 2.77Å; S2650-D2653 VanDerWaalsContact CB-OD2 3.23Å; S2650-D2653 WeakPolarHBondContact CB-OD2 3.13Å; S2650-D2653 PolarHBondContact N-OD2 2.93Å; S2650-D2653 WeakPolarHBondContact O-CB 3.39Å; S2650-D2653 PolarHBondContact O-N 3.19Å; S2650-D2653 PolarHBondContact OG-N 2.91Å; S2650-D2653 PolarHBondContact OG-OD1 3.08Å; S2650-D2653 PolarHBondContact OG-OD2 2.79Å; S2650-I2654 PolarHBondContact O-N 3.24Å | ||
| 2651 | M | 79.1 | Confident | 81.8 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.8 | -40.2 | 174.7 | -165.3 | 77.7 | 135.3 | 0 | 0 | 112.1 | T2551 Q2655 | T2551-M2651 VanDerWaalsContact CB-SD 3.53Å; T2551-M2651 HydrophobicContact CG2-CE 3.93Å; T2551-M2651 HydrophobicContact CG2-CG 4.35Å; T2551-M2651 HydrophobicContact CG2-SD 3.36Å; T2551-M2651 WeakPolarHBondContact CG2-SD 3.18Å; M2651-Q2655 VanDerWaalsContact O-CG 3.25Å; M2651-Q2655 WeakPolarHBondContact O-CG 3.01Å; M2651-Q2655 PolarHBondContact O-N 3.02Å |
| 2652 | N | 81.8 | Confident | 81.6 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69 | -35.9 | 178.4 | -78.8 | -12.6 | 0 | 0 | 0 | 112.1 | S2650 Q2655 N2656 | S2650-N2652 PolarHBondContact O-N 2.77Å; N2652-Q2655 PolarHBondContact O-N 3.13Å; N2652-N2656 WeakPolarHBondContact O-CB 2.92Å; N2652-N2656 PolarHBondContact O-N 3.15Å; N2652-N2656 PolarHBondContact O-ND2 3.44Å |
| 2653 | D | 83 | Confident | 80.9 | Confident | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 177.4 | -58.7 | -38.6 | 0 | 0 | 0 | 110.4 | M2649 S2650 Q2655 N2656 T2657 | M2649-D2653 HydrophobicContact CB-CB 4.21Å; M2649-D2653 HydrophobicContact CE-CB 3.97Å; S2650-D2653 VanDerWaalsContact CB-OD2 3.23Å; S2650-D2653 WeakPolarHBondContact CB-OD2 3.13Å; S2650-D2653 PolarHBondContact N-OD2 2.93Å; S2650-D2653 WeakPolarHBondContact O-CB 3.39Å; S2650-D2653 PolarHBondContact O-N 3.19Å; S2650-D2653 PolarHBondContact OG-N 2.91Å; S2650-D2653 PolarHBondContact OG-OD1 3.08Å; S2650-D2653 PolarHBondContact OG-OD2 2.79Å; D2653-Q2655 VanDerWaalsContact C-N 3.3Å; D2653-Q2655 PolarHBondContact O-N 3.31Å; D2653-N2656 PolarHBondContact O-N 2.74Å; D2653-T2657 PolarHBondContact O-N 3.27Å; D2653-T2657 PolarHBondContact O-OG1 3.47Å |
| 2654 | I | 81.6 | Confident | 80 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -49.2 | 176.5 | -62.3 | 168.7 | 0 | 0 | 0 | 109.8 | I2550 Q2646 M2649 S2650 N2656 T2657 F2658 | I2550-I2654 HydrophobicContact CG2-CG2 3.65Å; Q2646-I2654 HydrophobicContact CB-CD1 4.15Å; Q2646-I2654 HydrophobicContact CG-CD1 3.88Å; Q2646-I2654 HydrophobicContact CG-CG1 4.39Å; M2649-I2654 HydrophobicContact CB-CD1 4.41Å; M2649-I2654 HydrophobicContact CB-CG1 3.79Å; M2649-I2654 HydrophobicContact CE-CG1 4.3Å; M2649-I2654 HydrophobicContact SD-CG1 4.34Å; S2650-I2654 PolarHBondContact O-N 3.24Å; I2654-N2656 PolarHBondContact O-N 3.2Å; I2654-T2657 PolarHBondContact O-N 3.25Å; I2654-F2658 HydrophobicContact CG2-CD2 4.12Å; I2654-F2658 HydrophobicContact CG2-CE2 4.19Å; I2654-F2658 WeakPolarHBondContact O-CD2 2.96Å; I2654-F2658 PolarHBondContact O-N 2.73Å; I2654-F2658 VanDerWaalsContact O-N 3.14Å |
| 2655 | Q | 82.9 | Confident | 78.8 | Confident | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 179 | -66 | 174.3 | 6.2 | 0 | 0 | 112.4 | Y2554 K2572 M2651 N2652 D2653 T2657 F2658 E2659 | Y2554-Q2655 HydrophobicContact CD1-CB 4.16Å; Y2554-Q2655 HydrophobicContact CD1-CG 3.64Å; Y2554-Q2655 HydrophobicContact CD2-CG 4.22Å; Y2554-Q2655 HydrophobicContact CE1-CB 4.3Å; Y2554-Q2655 HydrophobicContact CE1-CG 4.27Å; Y2554-Q2655 HydrophobicContact CG-CB 4.34Å; Y2554-Q2655 HydrophobicContact CG-CG 3.61Å; K2572-Q2655 HydrophobicContact CD-CB 4.44Å; M2651-Q2655 VanDerWaalsContact O-CG 3.25Å; M2651-Q2655 WeakPolarHBondContact O-CG 3.01Å; M2651-Q2655 PolarHBondContact O-N 3.02Å; N2652-Q2655 PolarHBondContact O-N 3.13Å; D2653-Q2655 VanDerWaalsContact C-N 3.3Å; D2653-Q2655 PolarHBondContact O-N 3.31Å; Q2655-T2657 VanDerWaalsContact C-N 3.32Å; Q2655-T2657 PolarHBondContact O-N 2.87Å; Q2655-F2658 PolarHBondContact O-N 2.93Å; Q2655-E2659 PolarHBondContact O-N 3.08Å |
| 2656 | N | 82.7 | Confident | 77.6 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.5 | -72.8 | -15.8 | 0 | 0 | 0 | 111.9 | K2572 N2652 D2653 I2654 F2658 E2659 R2660 | K2572-N2656 PolarHBondContact NZ-OD1 3.17Å; N2652-N2656 WeakPolarHBondContact O-CB 2.92Å; N2652-N2656 PolarHBondContact O-N 3.15Å; N2652-N2656 PolarHBondContact O-ND2 3.44Å; D2653-N2656 PolarHBondContact O-N 2.74Å; I2654-N2656 PolarHBondContact O-N 3.2Å; N2656-F2658 VanDerWaalsContact C-N 3.35Å; N2656-E2659 PolarHBondContact O-N 3.39Å; N2656-R2660 VanDerWaalsContact O-CB 3.27Å; N2656-R2660 WeakPolarHBondContact O-CB 3.26Å; N2656-R2660 PolarHBondContact O-N 2.95Å |
| 2657 | T | 84 | Confident | 76.4 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.3 | -60.3 | 0 | 0 | 0 | 0 | 111 | L2644 M2649 D2653 I2654 Q2655 R2660 L2661 I2685 | L2644-T2657 HydrophobicContact CD2-CG2 3.86Å; M2649-T2657 VanDerWaalsContact CE-OG1 3.23Å; M2649-T2657 WeakPolarHBondContact CE-OG1 3.37Å; D2653-T2657 PolarHBondContact O-N 3.27Å; D2653-T2657 PolarHBondContact O-OG1 3.47Å; I2654-T2657 PolarHBondContact O-N 3.25Å; Q2655-T2657 VanDerWaalsContact C-N 3.32Å; Q2655-T2657 PolarHBondContact O-N 2.87Å; T2657-R2660 PolarHBondContact O-N 3.19Å; T2657-L2661 HydrophobicContact CG2-CD1 4.17Å; T2657-L2661 WeakPolarHBondContact O-CB 3.26Å; T2657-L2661 PolarHBondContact O-N 2.73Å; T2657-I2685 HydrophobicContact CG2-CD1 4Å; T2657-I2685 HydrophobicContact CG2-CG1 4.06Å |
| 2658 | F | 83.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 174.8 | -89.5 | -79.5 | 0 | 0 | 0 | 112.8 | L2548 I2550 Y2554 I2556 Y2627 I2642 L2644 I2654 Q2655 N2656 R2660 L2661 F2662 | L2548-F2658 HydrophobicContact CD2-CE1 3.99Å; I2550-F2658 HydrophobicContact CB-CE2 4.34Å; I2550-F2658 HydrophobicContact CD1-CB 4.01Å; I2550-F2658 HydrophobicContact CD1-CD1 3.55Å; I2550-F2658 HydrophobicContact CD1-CD2 3.72Å; I2550-F2658 HydrophobicContact CD1-CE1 3.85Å; I2550-F2658 HydrophobicContact CD1-CE2 4Å; I2550-F2658 HydrophobicContact CD1-CG 3.48Å; I2550-F2658 VanDerWaalsContact CD1-CG 3.48Å; I2550-F2658 HydrophobicContact CD1-CZ 4.06Å; I2550-F2658 HydrophobicContact CG1-CD1 4.32Å; I2550-F2658 HydrophobicContact CG1-CD2 4.17Å; I2550-F2658 HydrophobicContact CG1-CE1 4.13Å; I2550-F2658 HydrophobicContact CG1-CE2 3.96Å; I2550-F2658 HydrophobicContact CG1-CG 4.34Å; I2550-F2658 HydrophobicContact CG1-CZ 3.94Å; I2550-F2658 HydrophobicContact CG2-CD2 3.59Å; I2550-F2658 HydrophobicContact CG2-CE2 3.4Å; I2550-F2658 HydrophobicContact CG2-CG 4.47Å; I2550-F2658 HydrophobicContact CG2-CZ 4.17Å; Y2554-F2658 HydrophobicContact CE1-CB 4.19Å; I2556-F2658 HydrophobicContact CD1-CB 4.02Å; I2556-F2658 HydrophobicContact CD1-CD1 3.88Å; I2556-F2658 HydrophobicContact CD1-CG 4.32Å; Y2627-F2658 HydrophobicContact CD1-CZ 4.28Å; Y2627-F2658 HydrophobicContact CD2-CE2 4.23Å; Y2627-F2658 AromaticContact CD2-CZ 3.59Å; Y2627-F2658 HydrophobicContact CD2-CZ 3.59Å; Y2627-F2658 HydrophobicContact CE1-CZ 4.42Å; Y2627-F2658 AromaticContact CE2-CE2 3.89Å; Y2627-F2658 HydrophobicContact CE2-CE2 3.89Å; Y2627-F2658 AromaticContact CE2-CZ 3.72Å; Y2627-F2658 HydrophobicContact CE2-CZ 3.72Å; Y2627-F2658 AromaticContact CG-CZ 3.86Å; Y2627-F2658 HydrophobicContact CG-CZ 3.86Å; I2642-F2658 HydrophobicContact CD1-CE1 3.98Å; L2644-F2658 HydrophobicContact CD1-CD2 3.97Å; L2644-F2658 HydrophobicContact CD1-CE2 3.18Å; L2644-F2658 HydrophobicContact CD1-CZ 3.53Å; I2654-F2658 HydrophobicContact CG2-CD2 4.12Å; I2654-F2658 HydrophobicContact CG2-CE2 4.19Å; I2654-F2658 WeakPolarHBondContact O-CD2 2.96Å; I2654-F2658 PolarHBondContact O-N 2.73Å; I2654-F2658 VanDerWaalsContact O-N 3.14Å; Q2655-F2658 PolarHBondContact O-N 2.93Å; N2656-F2658 VanDerWaalsContact C-N 3.35Å; F2658-R2660 VanDerWaalsContact C-N 3.29Å; F2658-R2660 PolarHBondContact O-N 2.82Å; F2658-L2661 PolarHBondContact O-N 3.01Å; F2658-F2662 HydrophobicContact CD1-CD2 4.35Å; F2658-F2662 AromaticContact CD1-CE2 3.88Å; F2658-F2662 HydrophobicContact CD1-CE2 3.88Å; F2658-F2662 HydrophobicContact CE1-CE2 4.4Å; F2658-F2662 VanDerWaalsContact O-CD2 3.26Å; F2658-F2662 WeakPolarHBondContact O-CD2 3.26Å; F2658-F2662 PolarHBondContact O-N 2.98Å |
| 2659 | E | 80.6 | Confident | 74.8 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 174 | -70.7 | -154.1 | 149.3 | 0 | 0 | 111.3 | Y2554 S2570 K2572 L2594 Q2655 N2656 F2662 S2663 | Y2554-E2659 WeakPolarHBondContact OH-CG 3.47Å; S2570-E2659 PolarHBondContact OG-OE1 3.03Å; K2572-E2659 WeakPolarHBondContact CB-OE1 3.36Å; K2572-E2659 HydrophobicContact CD-CG 4.42Å; L2594-E2659 HydrophobicContact CD1-CG 4.46Å; Q2655-E2659 PolarHBondContact O-N 3.08Å; N2656-E2659 PolarHBondContact O-N 3.39Å; E2659-F2662 PolarHBondContact O-N 2.94Å; E2659-S2663 VanDerWaalsContact O-CA 3.31Å; E2659-S2663 WeakPolarHBondContact O-CA 3.34Å; E2659-S2663 WeakPolarHBondContact O-CB 3.3Å; E2659-S2663 PolarHBondContact O-N 3.21Å; E2659-S2663 PolarHBondContact O-OG 2.99Å |
| 2660 | R | 79.1 | Confident | 74.3 | Confident | 135 Ų | 135 | 54 Ų | 54 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 178.3 | -175.1 | 177.8 | 167.1 | 176.1 | 0.7 | 112.9 | N2656 T2657 F2658 F2662 S2663 E2682 D2684 | N2656-R2660 VanDerWaalsContact O-CB 3.27Å; N2656-R2660 WeakPolarHBondContact O-CB 3.26Å; N2656-R2660 PolarHBondContact O-N 2.95Å; T2657-R2660 PolarHBondContact O-N 3.19Å; F2658-R2660 VanDerWaalsContact C-N 3.29Å; F2658-R2660 PolarHBondContact O-N 2.82Å; R2660-F2662 PolarHBondContact O-N 2.66Å; R2660-S2663 WeakPolarHBondContact CA-OG 3.2Å; R2660-S2663 PolarHBondContact O-N 3.42Å; R2660-E2682 WeakPolarHBondContact CG-OE1 3.28Å; R2660-E2682 IonicContact CZ-OE1 3.97Å; R2660-E2682 IonicContact NE-OE1 2.96Å; R2660-E2682 PolarHBondContact NE-OE1 3.08Å; R2660-E2682 IonicContact NH2-OE1 3.31Å; R2660-D2684 IonicContact NH1-OD2 3.13Å |
| 2661 | L | 79.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -34.2 | 176.6 | -101.2 | 160.5 | 0 | 0 | 0 | 113 | I2642 T2657 F2658 M2664 W2679 I2685 | I2642-L2661 HydrophobicContact CG2-CD1 4.23Å; T2657-L2661 HydrophobicContact CG2-CD1 4.17Å; T2657-L2661 WeakPolarHBondContact O-CB 3.26Å; T2657-L2661 PolarHBondContact O-N 2.73Å; F2658-L2661 PolarHBondContact O-N 3.01Å; L2661-M2664 WeakPolarHBondContact O-CE 3.35Å; L2661-W2679 HydrophobicContact CD2-CD2 4.09Å; L2661-W2679 HydrophobicContact CD2-CG 3.94Å; L2661-W2679 PolarHBondContact O-NE1 3.1Å; L2661-W2679 VanDerWaalsContact O-NE1 3.08Å; L2661-I2685 HydrophobicContact CD1-CD1 3.52Å; L2661-I2685 HydrophobicContact CD1-CG1 4.45Å; L2661-I2685 HydrophobicContact CD2-CD1 3.71Å; L2661-I2685 HydrophobicContact CG-CD1 3.42Å; L2661-I2685 VanDerWaalsContact CG-CD1 3.42Å |
| 2662 | F | 81.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -102.1 | -24.3 | -179.9 | -69.5 | -71.1 | 0 | 0 | 0 | 112.4 | I2556 F2568 L2594 L2595 I2629 I2642 F2658 E2659 R2660 M2664 W2679 | I2556-F2662 HydrophobicContact CD1-CD2 3.59Å; I2556-F2662 HydrophobicContact CD1-CE2 3.75Å; F2568-F2662 HydrophobicContact CB-CD1 4.23Å; F2568-F2662 AromaticContact CD1-CD1 3.95Å; F2568-F2662 HydrophobicContact CD1-CD1 3.95Å; F2568-F2662 AromaticContact CD1-CE1 3.51Å; F2568-F2662 HydrophobicContact CD1-CE1 3.51Å; F2568-F2662 AromaticContact CD1-CZ 3.86Å; F2568-F2662 HydrophobicContact CD1-CZ 3.86Å; F2568-F2662 HydrophobicContact CD2-CD1 4.25Å; F2568-F2662 HydrophobicContact CD2-CE1 4.21Å; F2568-F2662 HydrophobicContact CE1-CD1 4.37Å; F2568-F2662 AromaticContact CE1-CE1 3.52Å; F2568-F2662 HydrophobicContact CE1-CE1 3.52Å; F2568-F2662 AromaticContact CE1-CZ 3.82Å; F2568-F2662 HydrophobicContact CE1-CZ 3.82Å; F2568-F2662 HydrophobicContact CE2-CE1 4.23Å; F2568-F2662 AromaticContact CG-CD1 3.89Å; F2568-F2662 HydrophobicContact CG-CD1 3.89Å; F2568-F2662 AromaticContact CG-CE1 3.87Å; F2568-F2662 HydrophobicContact CG-CE1 3.87Å; F2568-F2662 AromaticContact CZ-CE1 3.9Å; F2568-F2662 HydrophobicContact CZ-CE1 3.9Å; L2594-F2662 CarbonylContact C-O 3.56Å; L2594-F2662 HydrophobicContact CB-CB 3.65Å; L2594-F2662 HydrophobicContact CD1-CB 4Å; L2594-F2662 HydrophobicContact CG-CB 4.47Å; L2595-F2662 HydrophobicContact CB-CB 4.25Å; L2595-F2662 HydrophobicContact CB-CD1 4.05Å; L2595-F2662 HydrophobicContact CD2-CD1 3.7Å; L2595-F2662 HydrophobicContact CD2-CE1 4.14Å; I2629-F2662 HydrophobicContact CD1-CZ 4.37Å; I2642-F2662 HydrophobicContact CD1-CE2 4.36Å; I2642-F2662 HydrophobicContact CD1-CZ 4.18Å; F2658-F2662 HydrophobicContact CD1-CD2 4.35Å; F2658-F2662 AromaticContact CD1-CE2 3.88Å; F2658-F2662 HydrophobicContact CD1-CE2 3.88Å; F2658-F2662 HydrophobicContact CE1-CE2 4.4Å; F2658-F2662 VanDerWaalsContact O-CD2 3.26Å; F2658-F2662 WeakPolarHBondContact O-CD2 3.26Å; F2658-F2662 PolarHBondContact O-N 2.98Å; E2659-F2662 PolarHBondContact O-N 2.94Å; R2660-F2662 PolarHBondContact O-N 2.66Å; F2662-M2664 PolarHBondContact O-N 2.87Å; F2662-M2664 VanDerWaalsContact O-N 3.12Å; F2662-W2679 HydrophobicContact CD1-CZ2 4.31Å; F2662-W2679 HydrophobicContact CE1-CH2 4.23Å; F2662-W2679 AromaticContact CE1-CZ2 3.59Å; F2662-W2679 HydrophobicContact CE1-CZ2 3.59Å; F2662-W2679 HydrophobicContact CZ-CH2 4.2Å; F2662-W2679 AromaticContact CZ-CZ2 3.82Å; F2662-W2679 HydrophobicContact CZ-CZ2 3.82Å |
| 2663 | S | 72.2 | Confident | 73.7 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | trans | -82.3 | 88.4 | 177.1 | 77.9 | 0 | 0 | 0 | 0 | 110.1 | E2659 R2660 N2665 | E2659-S2663 VanDerWaalsContact O-CA 3.31Å; E2659-S2663 WeakPolarHBondContact O-CA 3.34Å; E2659-S2663 WeakPolarHBondContact O-CB 3.3Å; E2659-S2663 PolarHBondContact O-N 3.21Å; E2659-S2663 PolarHBondContact O-OG 2.99Å; R2660-S2663 WeakPolarHBondContact CA-OG 3.2Å; R2660-S2663 PolarHBondContact O-N 3.42Å; S2663-N2665 PolarHBondContact O-N 2.92Å | ||
| 2664 | M | 62.4 | Low | 73.4 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | trans | -77.3 | 39.4 | -173.9 | -68.6 | -83.1 | 141.3 | 0 | 0 | 114.1 | L2595 L2661 F2662 G2666 K2667 L2670 L2675 F2678 | L2595-M2664 HydrophobicContact CD1-CG 3.89Å; L2661-M2664 WeakPolarHBondContact O-CE 3.35Å; F2662-M2664 PolarHBondContact O-N 2.87Å; F2662-M2664 VanDerWaalsContact O-N 3.12Å; M2664-G2666 PolarHBondContact O-N 3.39Å; M2664-K2667 HydrophobicContact CB-CB 4.06Å; M2664-K2667 WeakPolarHBondContact CB-O 3.29Å; M2664-K2667 WeakPolarHBondContact O-CB 3.2Å; M2664-K2667 PolarHBondContact O-N 3.16Å; M2664-L2670 HydrophobicContact CB-CD1 4.43Å; M2664-L2670 HydrophobicContact CG-CD1 3.77Å; M2664-L2670 HydrophobicContact SD-CD1 3.53Å; M2664-L2670 VanDerWaalsContact SD-CD1 3.53Å; M2664-L2675 HydrophobicContact CE-CD1 3.6Å; M2664-L2675 HydrophobicContact SD-CD1 4.28Å; M2664-F2678 HydrophobicContact CE-CB 4.35Å; M2664-F2678 HydrophobicContact CE-CD1 3.04Å; M2664-F2678 HydrophobicContact CE-CD2 4.29Å; M2664-F2678 HydrophobicContact CE-CE1 3.14Å; M2664-F2678 HydrophobicContact CE-CE2 4.37Å; M2664-F2678 HydrophobicContact CE-CG 3.65Å; M2664-F2678 HydrophobicContact CE-CZ 3.83Å; M2664-F2678 HydrophobicContact SD-CB 4.11Å; M2664-F2678 HydrophobicContact SD-CD1 3.41Å; M2664-F2678 WeakPolarHBondContact SD-CD1 3.4Å; M2664-F2678 HydrophobicContact SD-CD2 3.49Å; M2664-F2678 WeakPolarHBondContact SD-CD2 3.46Å; M2664-F2678 HydrophobicContact SD-CE1 3.51Å; M2664-F2678 VanDerWaalsContact SD-CE1 3.51Å; M2664-F2678 HydrophobicContact SD-CE2 3.59Å; M2664-F2678 VanDerWaalsContact SD-CE2 3.59Å; M2664-F2678 HydrophobicContact SD-CG 3.37Å; M2664-F2678 WeakPolarHBondContact SD-CG 3.49Å; M2664-F2678 HydrophobicContact SD-CZ 3.59Å; M2664-F2678 VanDerWaalsContact SD-CZ 3.59Å | ||
| 2665 | N | 58.8 | Low | 73.2 | Confident | 156 Ų | 156 | 47.4 Ų | 47.4 | 83% | 0.834 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 38.6 | 178.1 | -72.3 | -27.2 | 0 | 0 | 0 | 114.3 | S2663 | S2663-N2665 PolarHBondContact O-N 2.92Š|
| 2666 | G | 55.6 | Low | 72.8 | Confident | 51 Ų | 51 | 49 Ų | 49 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -5.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | M2664 T2668 | M2664-G2666 PolarHBondContact O-N 3.39Å; G2666-T2668 PolarHBondContact O-N 3.07Å |
| 2667 | K | 57.6 | Low | 72.4 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | trans | -78.3 | 97.2 | 166.5 | -68.4 | -176.2 | 179.9 | -179.8 | 0 | 109.1 | M2664 | M2664-K2667 HydrophobicContact CB-CB 4.06Å; M2664-K2667 WeakPolarHBondContact CB-O 3.29Å; M2664-K2667 WeakPolarHBondContact O-CB 3.2Å; M2664-K2667 PolarHBondContact O-N 3.16Å | ||
| 2668 | T | 58.2 | Low | 71.9 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -79.7 | -29.4 | -176.5 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | Q2534 H2596 G2666 | Q2534-T2668 HydrophobicContact CB-CG2 4.43Å; Q2534-T2668 HydrophobicContact CG-CG2 4.18Å; H2596-T2668 CarbonylContact C-O 3.57Å; H2596-T2668 WeakPolarHBondContact CA-O 3.24Å; H2596-T2668 WeakPolarHBondContact CB-O 3.29Å; H2596-T2668 PolarHBondContact N-O 2.85Å; G2666-T2668 PolarHBondContact O-N 3.07Å | ||
| 2669 | E | 64.3 | Low | 71.5 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.7 | -169.9 | -65 | -178.6 | 163.9 | 0 | 0 | 112.5 | H2596 F2598 | H2596-E2669 IonicContact CE1-OE1 2.95Å; H2596-E2669 IonicContact ND1-OE1 2.99Å; H2596-E2669 VanDerWaalsContact O-CA 3.3Å; H2596-E2669 WeakPolarHBondContact O-CA 2.86Å; F2598-E2669 HydrophobicContact CE2-CB 4.08Å; F2598-E2669 HydrophobicContact CE2-CG 3.93Å |
| 2670 | L | 70.9 | Confident | 71.1 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146 | 178.9 | -69.3 | 169.2 | 0 | 0 | 0 | 111.1 | L2595 H2596 A2597 F2598 M2664 E2674 L2675 | L2595-L2670 HydrophobicContact CD1-CD1 4.22Å; H2596-L2670 PolarHBondContact O-N 2.9Å; A2597-L2670 CarbonylContact C-O 3.6Å; A2597-L2670 WeakPolarHBondContact CA-O 3.27Å; F2598-L2670 PolarHBondContact N-O 3.08Å; M2664-L2670 HydrophobicContact CB-CD1 4.43Å; M2664-L2670 HydrophobicContact CG-CD1 3.77Å; M2664-L2670 HydrophobicContact SD-CD1 3.53Å; M2664-L2670 VanDerWaalsContact SD-CD1 3.53Å; L2670-E2674 HydrophobicContact CB-CB 4.46Å; L2670-E2674 HydrophobicContact CD2-CB 4.01Å; L2670-L2675 HydrophobicContact CD1-CD1 4.23Å |
| 2671 | C | 80.2 | Confident | 70.7 | Confident | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 149.3 | 163.2 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | F2598 S2673 E2674 L2675 | F2598-C2671 WeakPolarHBondContact O-CA 3.45Å; C2671-S2673 PolarHBondContact O-N 3.4Å; C2671-S2673 VanDerWaalsContact O-N 3.11Å; C2671-S2673 PolarHBondContact SG-OG 3.37Å; C2671-E2674 HydrophobicContact CB-CG 4.16Å; C2671-E2674 PolarHBondContact N-OE2 3.16Å; C2671-E2674 VanDerWaalsContact N-OE2 3.12Å; C2671-E2674 WeakPolarHBondContact O-CA 3.39Å; C2671-E2674 WeakPolarHBondContact O-CB 3.07Å; C2671-E2674 PolarHBondContact O-N 2.65Å; C2671-L2675 PolarHBondContact O-N 3.45Å |
| 2672 | F | 77.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -32.1 | 176.2 | -73.4 | -39.2 | 0 | 0 | 0 | 113.5 | V2566 A2597 F2598 C2599 I2631 W2638 M2640 E2674 L2675 D2676 I2690 | V2566-F2672 HydrophobicContact CB-CZ 4.06Å; V2566-F2672 HydrophobicContact CG2-CZ 3.98Å; A2597-F2672 HydrophobicContact CB-CD1 3.76Å; A2597-F2672 HydrophobicContact CB-CE1 3.35Å; A2597-F2672 HydrophobicContact CB-CZ 4.21Å; F2598-F2672 PolarHBondContact O-N 2.95Å; F2598-F2672 VanDerWaalsContact O-N 3.15Å; C2599-F2672 HydrophobicContact CB-CD2 4.44Å; C2599-F2672 HydrophobicContact CB-CE2 4.39Å; C2599-F2672 WeakPolarHBondContact SG-CE2 3.17Å; I2631-F2672 HydrophobicContact CD1-CE1 4.2Å; I2631-F2672 HydrophobicContact CD1-CE2 4.14Å; I2631-F2672 HydrophobicContact CD1-CZ 3.53Å; I2631-F2672 HydrophobicContact CG2-CE2 4.49Å; W2638-F2672 HydrophobicContact CB-CD2 4.38Å; W2638-F2672 HydrophobicContact CB-CE2 4.42Å; W2638-F2672 HydrophobicContact CD2-CB 4.29Å; W2638-F2672 AromaticContact CD2-CD2 3.69Å; W2638-F2672 HydrophobicContact CD2-CD2 3.69Å; W2638-F2672 HydrophobicContact CD2-CE2 4.47Å; W2638-F2672 HydrophobicContact CD2-CG 4.38Å; W2638-F2672 AromaticContact CE2-CD2 3.94Å; W2638-F2672 HydrophobicContact CE3-CB 3.87Å; W2638-F2672 HydrophobicContact CE3-CD2 4.1Å; W2638-F2672 HydrophobicContact CE3-CG 4.33Å; W2638-F2672 AromaticContact CG-CD2 3.81Å; W2638-F2672 HydrophobicContact CG-CD2 3.81Å; W2638-F2672 HydrophobicContact CG-CE2 4.13Å; W2638-F2672 HydrophobicContact CH2-CB 4.14Å; W2638-F2672 HydrophobicContact CZ3-CB 3.77Å; M2640-F2672 HydrophobicContact CE-CD1 3.23Å; M2640-F2672 HydrophobicContact CE-CE1 3.04Å; M2640-F2672 HydrophobicContact CE-CE2 4.46Å; M2640-F2672 HydrophobicContact CE-CG 4.1Å; M2640-F2672 HydrophobicContact CE-CZ 3.74Å; F2672-E2674 VanDerWaalsContact C-N 3.31Å; F2672-E2674 PolarHBondContact O-N 2.87Å; F2672-L2675 HydrophobicContact CD1-CD2 4.34Å; F2672-L2675 WeakPolarHBondContact O-CB 3.15Å; F2672-L2675 PolarHBondContact O-N 2.72Å; F2672-D2676 PolarHBondContact O-N 3.03Å; F2672-D2676 VanDerWaalsContact O-N 3.11Å; F2672-I2690 HydrophobicContact CB-CG2 4.43Å |
| 2673 | S | 72.1 | Confident | 69.2 | Low | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 173 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | C2671 V2677 | C2671-S2673 PolarHBondContact O-N 3.4Å; C2671-S2673 VanDerWaalsContact O-N 3.11Å; C2671-S2673 PolarHBondContact SG-OG 3.37Å; S2673-V2677 WeakPolarHBondContact O-CG2 3.41Å |
| 2674 | E | 75.7 | Confident | 68.8 | Low | 98 Ų | 98 | 60.6 Ų | 60.6 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -81.3 | -32 | 176.9 | -62.8 | 175.5 | 153.5 | 0 | 0 | 111.3 | L2670 C2671 F2672 D2676 V2677 F2678 | L2670-E2674 HydrophobicContact CB-CB 4.46Å; L2670-E2674 HydrophobicContact CD2-CB 4.01Å; C2671-E2674 HydrophobicContact CB-CG 4.16Å; C2671-E2674 PolarHBondContact N-OE2 3.16Å; C2671-E2674 VanDerWaalsContact N-OE2 3.12Å; C2671-E2674 WeakPolarHBondContact O-CA 3.39Å; C2671-E2674 WeakPolarHBondContact O-CB 3.07Å; C2671-E2674 PolarHBondContact O-N 2.65Å; F2672-E2674 VanDerWaalsContact C-N 3.31Å; F2672-E2674 PolarHBondContact O-N 2.87Å; E2674-D2676 VanDerWaalsContact C-N 3.31Å; E2674-V2677 PolarHBondContact O-N 3.2Å; E2674-F2678 PolarHBondContact O-N 3.22Å |
| 2675 | L | 77.6 | Confident | 68.7 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 173.2 | -170.8 | 69.9 | 0 | 0 | 0 | 111 | L2595 M2640 M2664 L2670 C2671 F2672 V2677 F2678 W2679 I2690 | L2595-L2675 HydrophobicContact CD1-CD1 4.03Å; L2595-L2675 HydrophobicContact CD2-CD1 3.63Å; L2595-L2675 HydrophobicContact CD2-CD2 3.63Å; L2595-L2675 HydrophobicContact CD2-CG 4.3Å; M2640-L2675 HydrophobicContact CE-CD2 4.08Å; M2664-L2675 HydrophobicContact CE-CD1 3.6Å; M2664-L2675 HydrophobicContact SD-CD1 4.28Å; L2670-L2675 HydrophobicContact CD1-CD1 4.23Å; C2671-L2675 PolarHBondContact O-N 3.45Å; F2672-L2675 HydrophobicContact CD1-CD2 4.34Å; F2672-L2675 WeakPolarHBondContact O-CB 3.15Å; F2672-L2675 PolarHBondContact O-N 2.72Å; L2675-V2677 VanDerWaalsContact C-N 3.35Å; L2675-V2677 PolarHBondContact O-N 2.89Å; L2675-F2678 PolarHBondContact O-N 3.4Å; L2675-F2678 VanDerWaalsContact O-N 3.16Å; L2675-W2679 HydrophobicContact CD2-CH2 4.32Å; L2675-W2679 HydrophobicContact CD2-CZ2 3.84Å; L2675-W2679 HydrophobicContact CG-CD2 4.24Å; L2675-W2679 HydrophobicContact CG-CZ2 4.19Å; L2675-W2679 WeakPolarHBondContact O-CB 3.36Å; L2675-W2679 PolarHBondContact O-N 2.9Å; L2675-I2690 HydrophobicContact CB-CD1 3.93Å; L2675-I2690 HydrophobicContact CD2-CD1 3.73Å; L2675-I2690 HydrophobicContact CG-CD1 3.88Å |
| 2676 | D | 74.9 | Confident | 68.5 | Low | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 175.7 | -167.4 | 52 | 0 | 0 | 0 | 111.5 | F2672 E2674 F2678 W2679 S2680 I2690 | F2672-D2676 PolarHBondContact O-N 3.03Å; F2672-D2676 VanDerWaalsContact O-N 3.11Å; E2674-D2676 VanDerWaalsContact C-N 3.31Å; D2676-F2678 VanDerWaalsContact C-N 3.33Å; D2676-F2678 PolarHBondContact O-N 3.06Å; D2676-W2679 PolarHBondContact O-N 3.47Å; D2676-S2680 WeakPolarHBondContact O-CB 3.39Å; D2676-S2680 PolarHBondContact O-N 3.29Å; D2676-S2680 PolarHBondContact O-OG 3.37Å; D2676-I2690 HydrophobicContact CB-CB 3.98Å; D2676-I2690 HydrophobicContact CB-CD1 4.08Å; D2676-I2690 HydrophobicContact CB-CG1 4.14Å; D2676-I2690 PolarHBondContact OD1-N 2.95Å |
| 2677 | V | 74.5 | Confident | 68.5 | Low | 94 Ų | 94 | 59.2 Ų | 59.2 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | S2673 E2674 L2675 S2680 S2681 | S2673-V2677 WeakPolarHBondContact O-CG2 3.41Å; E2674-V2677 PolarHBondContact O-N 3.2Å; L2675-V2677 VanDerWaalsContact C-N 3.35Å; L2675-V2677 PolarHBondContact O-N 2.89Å; V2677-S2680 WeakPolarHBondContact CA-OG 3.4Å; V2677-S2680 PolarHBondContact O-OG 3.29Å; V2677-S2681 PolarHBondContact O-N 3.16Å |
| 2678 | F | 73.2 | Confident | 69 | Low | 50 Ų | 50 | 53.5 Ų | 53.5 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 177.1 | -176.6 | -79.8 | 0 | 0 | 0 | 111.6 | M2664 E2674 L2675 D2676 S2680 S2681 | M2664-F2678 HydrophobicContact CE-CB 4.35Å; M2664-F2678 HydrophobicContact CE-CD1 3.04Å; M2664-F2678 HydrophobicContact CE-CD2 4.29Å; M2664-F2678 HydrophobicContact CE-CE1 3.14Å; M2664-F2678 HydrophobicContact CE-CE2 4.37Å; M2664-F2678 HydrophobicContact CE-CG 3.65Å; M2664-F2678 HydrophobicContact CE-CZ 3.83Å; M2664-F2678 HydrophobicContact SD-CB 4.11Å; M2664-F2678 HydrophobicContact SD-CD1 3.41Å; M2664-F2678 WeakPolarHBondContact SD-CD1 3.4Å; M2664-F2678 HydrophobicContact SD-CD2 3.49Å; M2664-F2678 WeakPolarHBondContact SD-CD2 3.46Å; M2664-F2678 HydrophobicContact SD-CE1 3.51Å; M2664-F2678 VanDerWaalsContact SD-CE1 3.51Å; M2664-F2678 HydrophobicContact SD-CE2 3.59Å; M2664-F2678 VanDerWaalsContact SD-CE2 3.59Å; M2664-F2678 HydrophobicContact SD-CG 3.37Å; M2664-F2678 WeakPolarHBondContact SD-CG 3.49Å; M2664-F2678 HydrophobicContact SD-CZ 3.59Å; M2664-F2678 VanDerWaalsContact SD-CZ 3.59Å; E2674-F2678 PolarHBondContact O-N 3.22Å; L2675-F2678 PolarHBondContact O-N 3.4Å; L2675-F2678 VanDerWaalsContact O-N 3.16Å; D2676-F2678 VanDerWaalsContact C-N 3.33Å; D2676-F2678 PolarHBondContact O-N 3.06Å; F2678-S2680 VanDerWaalsContact C-N 3.31Å; F2678-S2680 PolarHBondContact O-N 2.79Å; F2678-S2681 WeakPolarHBondContact O-CB 3.4Å; F2678-S2681 PolarHBondContact O-N 3.4Å; F2678-S2681 PolarHBondContact O-OG 2.75Å |
| 2679 | W | 75.3 | Confident | 70 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 179.2 | -76.2 | 1 | 0 | 0 | 0 | 111.9 | M2640 I2642 L2661 F2662 L2675 D2676 S2681 E2682 I2690 | M2640-W2679 HydrophobicContact CB-CH2 4.05Å; M2640-W2679 HydrophobicContact CB-CZ3 3.94Å; M2640-W2679 HydrophobicContact CG-CH2 4.26Å; M2640-W2679 HydrophobicContact CG-CZ3 4.31Å; M2640-W2679 HydrophobicContact SD-CH2 3.89Å; I2642-W2679 HydrophobicContact CD1-CH2 3.85Å; I2642-W2679 HydrophobicContact CD1-CZ2 4.35Å; I2642-W2679 HydrophobicContact CD1-CZ3 4.27Å; I2642-W2679 HydrophobicContact CG1-CH2 4.05Å; I2642-W2679 HydrophobicContact CG1-CZ3 3.95Å; L2661-W2679 HydrophobicContact CD2-CD2 4.09Å; L2661-W2679 HydrophobicContact CD2-CG 3.94Å; L2661-W2679 PolarHBondContact O-NE1 3.1Å; L2661-W2679 VanDerWaalsContact O-NE1 3.08Å; F2662-W2679 HydrophobicContact CD1-CZ2 4.31Å; F2662-W2679 HydrophobicContact CE1-CH2 4.23Å; F2662-W2679 AromaticContact CE1-CZ2 3.59Å; F2662-W2679 HydrophobicContact CE1-CZ2 3.59Å; F2662-W2679 HydrophobicContact CZ-CH2 4.2Å; F2662-W2679 AromaticContact CZ-CZ2 3.82Å; F2662-W2679 HydrophobicContact CZ-CZ2 3.82Å; L2675-W2679 HydrophobicContact CD2-CH2 4.32Å; L2675-W2679 HydrophobicContact CD2-CZ2 3.84Å; L2675-W2679 HydrophobicContact CG-CD2 4.24Å; L2675-W2679 HydrophobicContact CG-CZ2 4.19Å; L2675-W2679 WeakPolarHBondContact O-CB 3.36Å; L2675-W2679 PolarHBondContact O-N 2.9Å; D2676-W2679 PolarHBondContact O-N 3.47Å; W2679-S2681 PolarHBondContact O-N 3.21Å; W2679-S2681 VanDerWaalsContact O-N 3.16Å; W2679-E2682 PolarHBondContact O-N 3.49Å; W2679-I2690 HydrophobicContact CD2-CD1 4.33Å; W2679-I2690 HydrophobicContact CE3-CD1 3.82Å; W2679-I2690 HydrophobicContact CE3-CG1 3.81Å; W2679-I2690 HydrophobicContact CH2-CD1 4.42Å; W2679-I2690 HydrophobicContact CZ3-CD1 3.88Å; W2679-I2690 HydrophobicContact CZ3-CG1 3.81Å |
| 2680 | S | 71.9 | Confident | 70.9 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.2 | -17.5 | 175.6 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | D2676 V2677 F2678 | D2676-S2680 WeakPolarHBondContact O-CB 3.39Å; D2676-S2680 PolarHBondContact O-N 3.29Å; D2676-S2680 PolarHBondContact O-OG 3.37Å; V2677-S2680 WeakPolarHBondContact CA-OG 3.4Å; V2677-S2680 PolarHBondContact O-OG 3.29Å; F2678-S2680 VanDerWaalsContact C-N 3.31Å; F2678-S2680 PolarHBondContact O-N 2.79Å |
| 2681 | S | 71 | Confident | 71.4 | Confident | 85 Ų | 85 | 52 Ų | 52 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -88.8 | -14.6 | 179.4 | 76.4 | 0 | 0 | 0 | 0 | 114.2 | V2677 F2678 W2679 S2683 | V2677-S2681 PolarHBondContact O-N 3.16Å; F2678-S2681 WeakPolarHBondContact O-CB 3.4Å; F2678-S2681 PolarHBondContact O-N 3.4Å; F2678-S2681 PolarHBondContact O-OG 2.75Å; W2679-S2681 PolarHBondContact O-N 3.21Å; W2679-S2681 VanDerWaalsContact O-N 3.16Å; S2681-S2683 PolarHBondContact O-N 2.9Å |
| 2682 | E | 68.9 | Low | 71.5 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | trans | -80.9 | 109.7 | 175.5 | -86.1 | -172.4 | 134.5 | 0 | 0 | 110.7 | R2660 W2679 D2684 I2685 | R2660-E2682 WeakPolarHBondContact CG-OE1 3.28Å; R2660-E2682 IonicContact CZ-OE1 3.97Å; R2660-E2682 IonicContact NE-OE1 2.96Å; R2660-E2682 PolarHBondContact NE-OE1 3.08Å; R2660-E2682 IonicContact NH2-OE1 3.31Å; W2679-E2682 PolarHBondContact O-N 3.49Å; E2682-D2684 PolarHBondContact O-N 3.11Å; E2682-D2684 VanDerWaalsContact O-N 3.14Å; E2682-I2685 HydrophobicContact CB-CD1 4.45Å | ||
| 2683 | S | 59.7 | Low | 71.6 | Confident | 112 Ų | 112 | 54.7 Ų | 54.7 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.7 | -179.1 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | S2681 | S2681-S2683 PolarHBondContact O-N 2.9Š|
| 2684 | D | 63.6 | Low | 72.1 | Confident | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.3 | -166.5 | -57.5 | -17.2 | 0 | 0 | 0 | 112.8 | R2660 E2682 | R2660-D2684 IonicContact NH1-OD2 3.13Å; E2682-D2684 PolarHBondContact O-N 3.11Å; E2682-D2684 VanDerWaalsContact O-N 3.14Å |
| 2685 | I | 61.4 | Low | 72.2 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -121.4 | 100.4 | -177.5 | -60.9 | 149.8 | 0 | 0 | 0 | 107.8 | L2644 T2657 L2661 E2682 C2687 | L2644-I2685 HydrophobicContact CD2-CG1 4.47Å; T2657-I2685 HydrophobicContact CG2-CD1 4Å; T2657-I2685 HydrophobicContact CG2-CG1 4.06Å; L2661-I2685 HydrophobicContact CD1-CD1 3.52Å; L2661-I2685 HydrophobicContact CD1-CG1 4.45Å; L2661-I2685 HydrophobicContact CD2-CD1 3.71Å; L2661-I2685 HydrophobicContact CG-CD1 3.42Å; L2661-I2685 VanDerWaalsContact CG-CD1 3.42Å; E2682-I2685 HydrophobicContact CB-CD1 4.45Å; I2685-C2687 VanDerWaalsContact C-N 3.26Å; I2685-C2687 PolarHBondContact O-N 2.91Å; I2685-C2687 VanDerWaalsContact O-N 3.11Å |
| 2686 | P | 53.6 | Low | 72.1 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 66% | 0.662 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -69.4 | -15.6 | -162 | 21.9 | -31.1 | 0 | 0 | 0 | 115.3 | ||
| 2687 | C | 56.3 | Low | 72.3 | Confident | 69 Ų | 69 | 57 Ų | 57 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 102.1 | 178.2 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | I2643 I2685 | I2643-C2687 HydrophobicContact CB-CB 4.05Å; I2643-C2687 WeakPolarHBondContact CB-O 3.04Å; I2643-C2687 HydrophobicContact CD1-CB 3.68Å; I2643-C2687 HydrophobicContact CG1-CB 4.02Å; I2643-C2687 PolarHBondContact N-O 3.47Å; I2685-C2687 VanDerWaalsContact C-N 3.26Å; I2685-C2687 PolarHBondContact O-N 2.91Å; I2685-C2687 VanDerWaalsContact O-N 3.11Å |
| 2688 | S | 68.5 | Low | 72.6 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.7 | 159.5 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | R2641 | R2641-S2688 WeakPolarHBondContact O-CA 3.37Å; R2641-S2688 WeakPolarHBondContact O-CB 3.32Å |
| 2689 | D | 79.3 | Confident | 73.1 | Confident | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.4 | 179.6 | 65.7 | -66.8 | 0 | 0 | 0 | 110.6 | R2639 R2641 | R2639-D2689 IonicContact CZ-OD2 2.65Å; R2639-D2689 IonicContact NE-OD2 3.59Å; R2639-D2689 IonicContact NH2-OD2 3.47Å; R2639-D2689 PolarHBondContact NH2-OD2 3.1Å; R2641-D2689 VanDerWaalsContact CB-OD1 3.31Å; R2641-D2689 WeakPolarHBondContact CB-OD1 3.28Å; R2641-D2689 VanDerWaalsContact CD-OD1 3.32Å; R2641-D2689 WeakPolarHBondContact CD-OD1 3.34Å; R2641-D2689 PolarHBondContact N-O 3.09Å; R2641-D2689 PolarHBondContact O-N 3.18Å; R2641-D2689 VanDerWaalsContact O-N 3.14Å |
| 2690 | I | 82.2 | Confident | 73.3 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.5 | 172.6 | -53.5 | -175.4 | 0 | 0 | 0 | 108.9 | W2638 R2639 M2640 F2672 L2675 D2676 W2679 | W2638-I2690 HydrophobicContact CE3-CG2 3.8Å; W2638-I2690 HydrophobicContact CZ3-CG2 4.12Å; R2639-I2690 CarbonylContact O-C 3.48Å; R2639-I2690 WeakPolarHBondContact O-CA 3.43Å; M2640-I2690 HydrophobicContact CG-CD1 4.28Å; M2640-I2690 HydrophobicContact CG-CG1 4.11Å; M2640-I2690 HydrophobicContact CG-CG2 4.24Å; F2672-I2690 HydrophobicContact CB-CG2 4.43Å; L2675-I2690 HydrophobicContact CB-CD1 3.93Å; L2675-I2690 HydrophobicContact CD2-CD1 3.73Å; L2675-I2690 HydrophobicContact CG-CD1 3.88Å; D2676-I2690 HydrophobicContact CB-CB 3.98Å; D2676-I2690 HydrophobicContact CB-CD1 4.08Å; D2676-I2690 HydrophobicContact CB-CG1 4.14Å; D2676-I2690 PolarHBondContact OD1-N 2.95Å; W2679-I2690 HydrophobicContact CD2-CD1 4.33Å; W2679-I2690 HydrophobicContact CE3-CD1 3.82Å; W2679-I2690 HydrophobicContact CE3-CG1 3.81Å; W2679-I2690 HydrophobicContact CH2-CD1 4.42Å; W2679-I2690 HydrophobicContact CZ3-CD1 3.88Å; W2679-I2690 HydrophobicContact CZ3-CG1 3.81Å |
| 2691 | V | 81.9 | Confident | 73.8 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.8 | -178.9 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | W2638 R2639 F2693 | W2638-V2691 CarbonylContact C-O 3.58Å; W2638-V2691 WeakPolarHBondContact CA-O 3.2Å; R2639-V2691 PolarHBondContact N-O 3.11Å; R2639-V2691 PolarHBondContact O-N 3.01Å; V2691-F2693 HydrophobicContact CB-CE2 4.15Å; V2691-F2693 HydrophobicContact CB-CZ 3.96Å; V2691-F2693 HydrophobicContact CG1-CD1 4.25Å; V2691-F2693 HydrophobicContact CG1-CE1 3.64Å; V2691-F2693 HydrophobicContact CG1-CE2 3.93Å; V2691-F2693 HydrophobicContact CG1-CZ 3.45Å; V2691-F2693 VanDerWaalsContact CG1-CZ 3.45Å |
| 2692 | C | 83 | Confident | 74.5 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.3 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | W2638 | W2638-C2692 HydrophobicContact CD2-CB 3.83Å; W2638-C2692 VanDerWaalsContact CE2-SG 3.58Å; W2638-C2692 HydrophobicContact CE3-CB 3.66Å; W2638-C2692 HydrophobicContact CH2-CB 3.82Å; W2638-C2692 HydrophobicContact CZ2-CB 3.98Å; W2638-C2692 HydrophobicContact CZ3-CB 3.66Å |
| 2693 | F | 79.5 | Confident | 75.2 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 11% | 0.114 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.6 | 176.8 | -52.5 | -80.1 | 0 | 0 | 0 | 109.5 | N2636 L2637 R2639 V2691 F2737 | N2636-F2693 CarbonylContact C-O 3.47Å; N2636-F2693 WeakPolarHBondContact CA-O 3.47Å; L2637-F2693 HydrophobicContact CB-CB 4.31Å; L2637-F2693 PolarHBondContact N-O 3.33Å; L2637-F2693 WeakPolarHBondContact O-CD2 3.25Å; L2637-F2693 PolarHBondContact O-N 2.6Å; R2639-F2693 HydrophobicContact CB-CD2 4.43Å; R2639-F2693 HydrophobicContact CB-CE2 3.68Å; V2691-F2693 HydrophobicContact CB-CE2 4.15Å; V2691-F2693 HydrophobicContact CB-CZ 3.96Å; V2691-F2693 HydrophobicContact CG1-CD1 4.25Å; V2691-F2693 HydrophobicContact CG1-CE1 3.64Å; V2691-F2693 HydrophobicContact CG1-CE2 3.93Å; V2691-F2693 HydrophobicContact CG1-CZ 3.45Å; V2691-F2693 VanDerWaalsContact CG1-CZ 3.45Å; F2693-F2737 HydrophobicContact CD1-CE1 4.25Å; F2693-F2737 AromaticContact CD1-CZ 3.88Å; F2693-F2737 HydrophobicContact CD1-CZ 3.88Å |
| 2694 | T | 81.5 | Confident | 76.2 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.6 | 178.3 | -52 | 0 | 0 | 0 | 0 | 110.1 | E2635 N2636 | E2635-T2694 HydrophobicContact CB-CG2 4.16Å; E2635-T2694 CarbonylContact O-C 3.53Å; E2635-T2694 WeakPolarHBondContact O-CA 3.39Å; N2636-T2694 WeakPolarHBondContact OD1-CG2 3.4Å; N2636-T2694 PolarHBondContact OD1-OG1 2.87Å |
| 2695 | A | 78.3 | Confident | 76.7 | Confident | 18 Ų | 18 | 42 Ų | 42 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | trans | -78.2 | 165.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2635 H2697 I2699 L2721 I2727 | E2635-A2695 PolarHBondContact O-N 2.89Å; A2695-H2697 VanDerWaalsContact C-N 3.26Å; A2695-H2697 WeakPolarHBondContact CB-O 3.36Å; A2695-H2697 PolarHBondContact O-N 3.46Å; A2695-I2699 HydrophobicContact CB-CD1 4.14Å; A2695-I2699 HydrophobicContact CB-CG1 4.01Å; A2695-L2721 HydrophobicContact CB-CD1 4.44Å; A2695-L2721 HydrophobicContact CB-CD2 3.74Å; A2695-I2727 HydrophobicContact CB-CD1 4.17Å | ||
| 2696 | S | 76.4 | Confident | 77.2 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 54% | 0.538 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.9 | -23 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | L2721 | S2696-L2721 WeakPolarHBondContact OG-CD1 3.35Š|
| 2697 | H | 78.3 | Confident | 77.8 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -144.7 | 164.3 | -179.3 | -65.4 | 81.6 | 0 | 0 | 0 | 109.1 | E2635 A2695 I2699 L2721 N2723 | E2635-H2697 VanDerWaalsContact CG-C 3.5Å; A2695-H2697 VanDerWaalsContact C-N 3.26Å; A2695-H2697 WeakPolarHBondContact CB-O 3.36Å; A2695-H2697 PolarHBondContact O-N 3.46Å; H2697-I2699 PolarHBondContact O-N 2.88Å; H2697-L2721 HydrophobicContact CB-CB 4.12Å; H2697-L2721 HydrophobicContact CB-CD1 4.3Å; H2697-N2723 PolarHBondContact CE1-ND2 2.63Å; H2697-N2723 VanDerWaalsContact CE1-ND2 3.27Å; H2697-N2723 PolarHBondContact ND1-ND2 2.88Å |
| 2698 | P | 80.7 | Confident | 78.3 | Confident | 33 Ų | 33 | 46 Ų | 46 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | trans | -59.2 | 138.8 | 178.7 | -22.6 | 31.5 | 0 | 0 | 0 | 112.3 | G2634 E2635 L2721 V2722 | G2634-P2698 CarbonylContact O-C 3.57Å; G2634-P2698 WeakPolarHBondContact O-CA 3.39Å; E2635-P2698 HydrophobicContact CG-CG 4.03Å; P2698-L2721 CarbonylContact O-C 3.57Å; P2698-L2721 WeakPolarHBondContact O-CA 3.16Å; P2698-V2722 HydrophobicContact CB-CG2 3.79Å; P2698-V2722 HydrophobicContact CG-CG2 4.31Å; P2698-V2722 WeakPolarHBondContact O-CG2 3.4Å; P2698-V2722 PolarHBondContact O-N 3.22Å | ||
| 2699 | I | 83.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.3 | 178.9 | -61 | 165.3 | 0 | 0 | 0 | 108.8 | S2609 A2632 G2634 L2637 A2695 H2697 L2702 A2719 L2721 | S2609-I2699 VanDerWaalsContact CB-O 3.28Å; S2609-I2699 WeakPolarHBondContact CB-O 3.39Å; S2609-I2699 PolarHBondContact OG-O 3.17Å; A2632-I2699 HydrophobicContact CB-CB 3.98Å; A2632-I2699 HydrophobicContact CB-CG2 3.68Å; G2634-I2699 PolarHBondContact O-N 3.25Å; L2637-I2699 HydrophobicContact CB-CD1 3.64Å; L2637-I2699 HydrophobicContact CD1-CD1 4.49Å; L2637-I2699 HydrophobicContact CG-CD1 4.49Å; A2695-I2699 HydrophobicContact CB-CD1 4.14Å; A2695-I2699 HydrophobicContact CB-CG1 4.01Å; H2697-I2699 PolarHBondContact O-N 2.88Å; I2699-L2702 HydrophobicContact CG2-CD2 3.75Å; I2699-L2702 HydrophobicContact CG2-CG 4.3Å; I2699-A2719 HydrophobicContact CG2-CB 3.96Å; I2699-L2721 HydrophobicContact CB-CD2 4.44Å; I2699-L2721 HydrophobicContact CG1-CD2 3.63Å |
| 2700 | V | 80.2 | Confident | 77.7 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -44.2 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | V2720 V2722 | V2700-V2720 PolarHBondContact N-O 2.9Å; V2700-V2722 HydrophobicContact CG2-CB 4.2Å; V2700-V2722 HydrophobicContact CG2-CG2 3.41Å; V2700-V2722 VanDerWaalsContact CG2-CG2 3.41Å |
| 2701 | K | 82.6 | Confident | 77 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.4 | -172.5 | -161.6 | 168.2 | -175 | 173 | 0 | 111.4 | D2610 A2719 V2720 I2753 | D2610-K2701 VanDerWaalsContact OD2-CG 3.26Å; D2610-K2701 WeakPolarHBondContact OD2-CG 3.36Å; K2701-A2719 WeakPolarHBondContact O-CA 3.45Å; K2701-V2720 PolarHBondContact O-N 3.37Å; K2701-I2753 HydrophobicContact CB-CG2 4.22Å; K2701-I2753 HydrophobicContact CD-CG2 4.22Å; K2701-I2753 HydrophobicContact CG-CG2 4.11Å |
| 2702 | L | 85.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.6 | 178.2 | -63.3 | 178.2 | 0 | 0 | 0 | 110.6 | D2610 A2632 L2637 I2699 I2717 I2718 A2719 | D2610-L2702 HydrophobicContact CB-CB 4.37Å; D2610-L2702 HydrophobicContact CB-CG 4.3Å; D2610-L2702 PolarHBondContact OD2-N 3.32Å; A2632-L2702 HydrophobicContact CB-CD1 3.81Å; A2632-L2702 HydrophobicContact CB-CD2 4.46Å; A2632-L2702 HydrophobicContact CB-CG 4.05Å; L2637-L2702 HydrophobicContact CD1-CD1 3.58Å; L2637-L2702 HydrophobicContact CD1-CD2 3.8Å; L2637-L2702 HydrophobicContact CD1-CG 4.34Å; I2699-L2702 HydrophobicContact CG2-CD2 3.75Å; I2699-L2702 HydrophobicContact CG2-CG 4.3Å; L2702-I2717 HydrophobicContact CB-CG2 4.38Å; L2702-I2717 HydrophobicContact CD2-CG2 3.94Å; L2702-I2718 CarbonylContact C-O 3.56Å; L2702-I2718 WeakPolarHBondContact CA-O 3.35Å; L2702-A2719 HydrophobicContact CD2-CB 3.54Å |
| 2703 | S | 82.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 136.9 | 170.6 | -165.2 | 0 | 0 | 0 | 0 | 111.3 | R2705 I2717 I2718 T2755 | S2703-R2705 PolarHBondContact O-N 2.81Å; S2703-I2717 WeakPolarHBondContact O-CA 3.39Å; S2703-I2718 PolarHBondContact N-O 2.69Å; S2703-I2718 PolarHBondContact O-N 2.85Å; S2703-T2755 PolarHBondContact OG-OG1 3.05Å; S2703-T2755 VanDerWaalsContact OG-OG1 3.11Å |
| 2704 | P | 81.3 | Confident | 74.5 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.7 | 173.9 | 27.9 | -32.6 | 0 | 0 | 0 | 109.7 | S2612 Q2614 Y2706 T2755 | S2612-P2704 WeakPolarHBondContact OG-CD 3.49Å; Q2614-P2704 HydrophobicContact CG-CB 3.52Å; P2704-Y2706 PolarHBondContact O-N 3.15Å; P2704-T2755 VanDerWaalsContact O-CB 3.26Å; P2704-T2755 WeakPolarHBondContact O-CB 3.16Å; P2704-T2755 WeakPolarHBondContact O-CG2 3.36Å; P2704-T2755 PolarHBondContact O-OG1 3.28Å |
| 2705 | R | 74.8 | Confident | 74 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -58.4 | -40.6 | -178.8 | -176.4 | 174.8 | 179 | 173.9 | -0.8 | 112.2 | S2703 E2716 I2718 H2773 | S2703-R2705 PolarHBondContact O-N 2.81Å; R2705-E2716 HydrophobicContact CB-CB 3.95Å; R2705-E2716 WeakPolarHBondContact CB-O 2.94Å; R2705-E2716 WeakPolarHBondContact CD-OE2 3.44Å; R2705-E2716 IonicContact CZ-OE2 2.66Å; R2705-E2716 PolarHBondContact N-O 2.84Å; R2705-E2716 IonicContact NE-OE2 3.65Å; R2705-E2716 IonicContact NH1-OE1 3.56Å; R2705-E2716 IonicContact NH1-OE2 3.35Å; R2705-E2716 PolarHBondContact NH1-OE2 2.83Å; R2705-I2718 HydrophobicContact CB-CD1 4.15Å; R2705-I2718 HydrophobicContact CB-CG1 3.97Å; R2705-I2718 HydrophobicContact CG-CD1 4.08Å; R2705-I2718 HydrophobicContact CG-CG1 4.34Å; R2705-H2773 PolarHBondContact O-CE1 2.98Å; R2705-H2773 PolarHBondContact O-NE2 2.79Å |
| 2706 | Y | 71.8 | Confident | 73.9 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 18% | 0.18 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -120.4 | 128.2 | 175.5 | -58.3 | -87 | 0 | 0 | 0 | 108.6 | Q2614 P2704 K2708 Q2714 | Q2614-Y2706 PolarHBondContact NE2-O 2.94Å; P2704-Y2706 PolarHBondContact O-N 3.15Å; Y2706-K2708 VanDerWaalsContact C-N 3.32Å; Y2706-Q2714 HydrophobicContact CD2-CB 3.71Å; Y2706-Q2714 HydrophobicContact CD2-CG 4.38Å; Y2706-Q2714 WeakPolarHBondContact CD2-O 3.36Å; Y2706-Q2714 HydrophobicContact CE2-CB 3.93Å; Y2706-Q2714 HydrophobicContact CE2-CG 4.18Å; Y2706-Q2714 HydrophobicContact CG-CB 4.19Å |
| 2707 | A | 64.9 | Low | 74 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -67.8 | -34.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 2708 | K | 68.4 | Low | 74.1 | Confident | 161 Ų | 161 | 48.8 Ų | 48.8 | 70% | 0.7 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -131.6 | 97.1 | 170.4 | -70.8 | -174.9 | 178.7 | -177.7 | 0 | 108.9 | Y2706 N2710 | Y2706-K2708 VanDerWaalsContact C-N 3.32Å; K2708-N2710 PolarHBondContact O-N 2.82Å |
| 2709 | P | 66.9 | Low | 74.2 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.071 | 24% | 0.24 | C | C | . | . | trans | -68.5 | 130.5 | 175.4 | 26.3 | -30.7 | 0 | 0 | 0 | 110 | Y2616 Q2714 | Y2616-P2709 HydrophobicContact CD2-CB 4.28Å; Y2616-P2709 HydrophobicContact CD2-CG 4.06Å; Y2616-P2709 VanDerWaalsContact CD2-O 3.26Å; Y2616-P2709 WeakPolarHBondContact CD2-O 3.19Å; Y2616-P2709 HydrophobicContact CG-CG 4.47Å; P2709-Q2714 HydrophobicContact CB-CB 3.83Å | ||
| 2710 | N | 68 | Low | 74 | Confident | 118 Ų | 118 | 47.1 Ų | 47.1 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -89.6 | -28.4 | 175.5 | -67.3 | -16.2 | 0 | 0 | 0 | 111.9 | Y2616 K2708 | Y2616-N2710 WeakPolarHBondContact CE2-O 3.4Å; Y2616-N2710 PolarHBondContact OH-O 2.8Å; K2708-N2710 PolarHBondContact O-N 2.82Å |
| 2711 | H | 66.2 | Low | 74 | Confident | 119 Ų | 119 | 44 Ų | 44 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -125.2 | 150.3 | 178.2 | -61.3 | -62.2 | 0 | 0 | 0 | 110.5 | Y2616 E2713 Q2714 | Y2616-H2711 WeakPolarHBondContact OH-CA 3.24Å; H2711-E2713 PolarHBondContact O-N 2.91Å; H2711-Q2714 HydrophobicContact CB-CG 4.32Å; H2711-Q2714 WeakPolarHBondContact O-CA 3.33Å; H2711-Q2714 VanDerWaalsContact O-CB 3.27Å; H2711-Q2714 WeakPolarHBondContact O-CB 3.49Å; H2711-Q2714 PolarHBondContact O-N 2.82Å |
| 2712 | L | 63.2 | Low | 73.5 | Confident | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -54.6 | -37.8 | 179.1 | -169.7 | 88.3 | 0 | 0 | 0 | 112.4 | Y2616 M2618 Q2714 C2715 | Y2616-L2712 HydrophobicContact CD1-CD1 3.89Å; Y2616-L2712 HydrophobicContact CE1-CB 3.93Å; Y2616-L2712 HydrophobicContact CE1-CD1 3.85Å; Y2616-L2712 PolarHBondContact OH-N 2.85Å; M2618-L2712 HydrophobicContact SD-CD1 3.65Å; L2712-Q2714 PolarHBondContact O-N 3Å; L2712-Q2714 VanDerWaalsContact O-N 3.09Å; L2712-C2715 WeakPolarHBondContact O-CB 3.44Å; L2712-C2715 PolarHBondContact O-N 2.88Å |
| 2713 | E | 64.3 | Low | 72.7 | Confident | 140 Ų | 140 | 46.5 Ų | 46.5 | 65% | 0.654 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -63.4 | -14.3 | 177.6 | -59.4 | -175.2 | 164.8 | 0 | 0 | 113.2 | H2711 | H2711-E2713 PolarHBondContact O-N 2.91Š|
| 2714 | Q | 65.8 | Low | 71.8 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -90.6 | -3.7 | 175.8 | -60.9 | 177.2 | -19.7 | 0 | 0 | 113 | Y2706 P2709 H2711 L2712 E2716 | Y2706-Q2714 HydrophobicContact CD2-CB 3.71Å; Y2706-Q2714 HydrophobicContact CD2-CG 4.38Å; Y2706-Q2714 WeakPolarHBondContact CD2-O 3.36Å; Y2706-Q2714 HydrophobicContact CE2-CB 3.93Å; Y2706-Q2714 HydrophobicContact CE2-CG 4.18Å; Y2706-Q2714 HydrophobicContact CG-CB 4.19Å; P2709-Q2714 HydrophobicContact CB-CB 3.83Å; H2711-Q2714 HydrophobicContact CB-CG 4.32Å; H2711-Q2714 WeakPolarHBondContact O-CA 3.33Å; H2711-Q2714 VanDerWaalsContact O-CB 3.27Å; H2711-Q2714 WeakPolarHBondContact O-CB 3.49Å; H2711-Q2714 PolarHBondContact O-N 2.82Å; L2712-Q2714 PolarHBondContact O-N 3Å; L2712-Q2714 VanDerWaalsContact O-N 3.09Å; Q2714-E2716 PolarHBondContact O-N 2.93Å |
| 2715 | C | 69.8 | Low | 71.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -75.3 | 77.1 | 173.8 | -71.1 | 0 | 0 | 0 | 0 | 110 | L2628 L2712 S2731 | L2628-C2715 HydrophobicContact CD1-CB 4.01Å; L2712-C2715 WeakPolarHBondContact O-CB 3.44Å; L2712-C2715 PolarHBondContact O-N 2.88Å; C2715-S2731 WeakPolarHBondContact CB-OG 3.21Å; C2715-S2731 WeakPolarHBondContact O-CB 3.19Å; C2715-S2731 PolarHBondContact O-N 3.48Å; C2715-S2731 PolarHBondContact O-OG 2.85Å | ||
| 2716 | E | 75.8 | Confident | 71.2 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.2 | 179.6 | -51.6 | -175.5 | 161.7 | 0 | 0 | 110.6 | Q2614 R2705 Q2714 V2728 V2729 T2730 | Q2614-E2716 PolarHBondContact NE2-O 3.42Å; R2705-E2716 HydrophobicContact CB-CB 3.95Å; R2705-E2716 WeakPolarHBondContact CB-O 2.94Å; R2705-E2716 WeakPolarHBondContact CD-OE2 3.44Å; R2705-E2716 IonicContact CZ-OE2 2.66Å; R2705-E2716 PolarHBondContact N-O 2.84Å; R2705-E2716 IonicContact NE-OE2 3.65Å; R2705-E2716 IonicContact NH1-OE1 3.56Å; R2705-E2716 IonicContact NH1-OE2 3.35Å; R2705-E2716 PolarHBondContact NH1-OE2 2.83Å; Q2714-E2716 PolarHBondContact O-N 2.93Å; E2716-V2728 HydrophobicContact CB-CG1 4.15Å; E2716-V2728 VanDerWaalsContact OE2-CG1 3.27Å; E2716-V2728 WeakPolarHBondContact OE2-CG1 3.45Å; E2716-V2729 CarbonylContact C-O 3.47Å; E2716-V2729 WeakPolarHBondContact CA-O 3.27Å; E2716-T2730 HydrophobicContact CG-CG2 3.93Å; E2716-T2730 VanDerWaalsContact OE1-CG2 3.25Å; E2716-T2730 WeakPolarHBondContact OE1-CG2 3.23Å |
| 2717 | I | 80.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.8 | 171.1 | -73.7 | -151.5 | 0 | 0 | 0 | 109.9 | S2612 Y2630 L2702 S2703 V2728 V2729 | S2612-I2717 WeakPolarHBondContact OG-CD1 3.12Å; Y2630-I2717 HydrophobicContact CD1-CD1 3.78Å; Y2630-I2717 HydrophobicContact CD1-CG1 4.35Å; Y2630-I2717 HydrophobicContact CD2-CD1 3.02Å; Y2630-I2717 HydrophobicContact CD2-CG1 3.91Å; Y2630-I2717 HydrophobicContact CE1-CD1 4.1Å; Y2630-I2717 HydrophobicContact CE1-CG1 4.22Å; Y2630-I2717 HydrophobicContact CE2-CD1 3.35Å; Y2630-I2717 HydrophobicContact CE2-CG1 3.69Å; Y2630-I2717 HydrophobicContact CG-CD1 3.21Å; Y2630-I2717 HydrophobicContact CG-CG1 4.18Å; L2702-I2717 HydrophobicContact CB-CG2 4.38Å; L2702-I2717 HydrophobicContact CD2-CG2 3.94Å; S2703-I2717 WeakPolarHBondContact O-CA 3.39Å; I2717-V2728 CarbonylContact O-C 3.52Å; I2717-V2729 PolarHBondContact N-O 2.8Å; I2717-V2729 PolarHBondContact O-N 2.93Å |
| 2718 | I | 80.5 | Confident | 71.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128 | 171.6 | -43.2 | 177.9 | 0 | 0 | 0 | 108.2 | L2702 S2703 R2705 V2726 I2727 I2753 T2755 I2760 | L2702-I2718 CarbonylContact C-O 3.56Å; L2702-I2718 WeakPolarHBondContact CA-O 3.35Å; S2703-I2718 PolarHBondContact N-O 2.69Å; S2703-I2718 PolarHBondContact O-N 2.85Å; R2705-I2718 HydrophobicContact CB-CD1 4.15Å; R2705-I2718 HydrophobicContact CB-CG1 3.97Å; R2705-I2718 HydrophobicContact CG-CD1 4.08Å; R2705-I2718 HydrophobicContact CG-CG1 4.34Å; I2718-V2726 HydrophobicContact CG2-CG1 3.29Å; I2718-I2727 CarbonylContact C-O 3.55Å; I2718-I2727 WeakPolarHBondContact CA-O 3.35Å; I2718-I2727 WeakPolarHBondContact CG2-O 3.37Å; I2718-I2753 HydrophobicContact CB-CD1 3.95Å; I2718-I2753 HydrophobicContact CG2-CD1 3.33Å; I2718-T2755 HydrophobicContact CD1-CG2 3.59Å; I2718-T2755 HydrophobicContact CG1-CG2 4.45Å; I2718-I2760 HydrophobicContact CD1-CB 4.14Å; I2718-I2760 HydrophobicContact CD1-CD1 3.4Å; I2718-I2760 VanDerWaalsContact CD1-CD1 3.4Å; I2718-I2760 HydrophobicContact CD1-CG1 3.39Å; I2718-I2760 HydrophobicContact CD1-CG2 3.66Å |
| 2719 | A | 81.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I2699 K2701 L2702 I2727 | I2699-A2719 HydrophobicContact CG2-CB 3.96Å; K2701-A2719 WeakPolarHBondContact O-CA 3.45Å; L2702-A2719 HydrophobicContact CD2-CB 3.54Å; A2719-I2727 HydrophobicContact CB-CD1 4.09Å; A2719-I2727 HydrophobicContact CB-CG1 3.71Å; A2719-I2727 PolarHBondContact N-O 2.92Å; A2719-I2727 WeakPolarHBondContact O-CG1 3.32Å; A2719-I2727 PolarHBondContact O-N 3Å |
| 2720 | V | 78.8 | Confident | 72 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.4 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | V2700 K2701 V2726 C2750 I2753 | V2700-V2720 PolarHBondContact N-O 2.9Å; K2701-V2720 PolarHBondContact O-N 3.37Å; V2720-V2726 HydrophobicContact CG2-CG2 4.39Å; V2720-C2750 HydrophobicContact CG1-CB 4.12Å; V2720-I2753 HydrophobicContact CG2-CB 3.62Å; V2720-I2753 HydrophobicContact CG2-CD1 3.81Å; V2720-I2753 HydrophobicContact CG2-CG1 4.33Å; V2720-I2753 HydrophobicContact CG2-CG2 3.63Å |
| 2721 | L | 79.9 | Confident | 71.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 156.2 | 178.1 | -57.7 | -169.8 | 0 | 0 | 0 | 111.2 | A2695 S2696 H2697 P2698 I2699 N2723 G2724 D2725 I2727 | A2695-L2721 HydrophobicContact CB-CD1 4.44Å; A2695-L2721 HydrophobicContact CB-CD2 3.74Å; S2696-L2721 WeakPolarHBondContact OG-CD1 3.35Å; H2697-L2721 HydrophobicContact CB-CB 4.12Å; H2697-L2721 HydrophobicContact CB-CD1 4.3Å; P2698-L2721 CarbonylContact O-C 3.57Å; P2698-L2721 WeakPolarHBondContact O-CA 3.16Å; I2699-L2721 HydrophobicContact CB-CD2 4.44Å; I2699-L2721 HydrophobicContact CG1-CD2 3.63Å; L2721-N2723 WeakPolarHBondContact CB-OD1 3.48Å; L2721-N2723 PolarHBondContact O-N 3.15Å; L2721-N2723 VanDerWaalsContact O-N 3.14Å; L2721-G2724 WeakPolarHBondContact O-CA 3.32Å; L2721-G2724 PolarHBondContact O-N 3.28Å; L2721-D2725 HydrophobicContact CB-CB 4.42Å; L2721-D2725 HydrophobicContact CD1-CB 4.29Å; L2721-D2725 PolarHBondContact N-O 2.82Å; L2721-I2727 HydrophobicContact CD1-CD1 4.49Å; L2721-I2727 HydrophobicContact CD1-CG2 4.07Å; L2721-I2727 HydrophobicContact CD2-CD1 3.96Å; L2721-I2727 HydrophobicContact CD2-CG1 4.41Å; L2721-I2727 HydrophobicContact CG-CD1 4.42Å; L2721-I2727 HydrophobicContact CG-CG2 4.42Å |
| 2722 | V | 71.9 | Confident | 71.4 | Confident | 80 Ų | 80 | 28.8 Ų | 28.8 | 49% | 0.485 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.9 | 179.6 | 168.1 | 0 | 0 | 0 | 0 | 112.6 | P2698 V2700 G2724 | P2698-V2722 HydrophobicContact CB-CG2 3.79Å; P2698-V2722 HydrophobicContact CG-CG2 4.31Å; P2698-V2722 WeakPolarHBondContact O-CG2 3.4Å; P2698-V2722 PolarHBondContact O-N 3.22Å; V2700-V2722 HydrophobicContact CG2-CB 4.2Å; V2700-V2722 HydrophobicContact CG2-CG2 3.41Å; V2700-V2722 VanDerWaalsContact CG2-CG2 3.41Å; V2722-G2724 PolarHBondContact O-N 3.43Å |
| 2723 | N | 68.8 | Low | 70.8 | Confident | 42 Ų | 42 | 34.5 Ų | 34.5 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.7 | 175.9 | 71 | -16.1 | 0 | 0 | 0 | 113.5 | H2697 L2721 D2725 | H2697-N2723 PolarHBondContact CE1-ND2 2.63Å; H2697-N2723 VanDerWaalsContact CE1-ND2 3.27Å; H2697-N2723 PolarHBondContact ND1-ND2 2.88Å; L2721-N2723 WeakPolarHBondContact CB-OD1 3.48Å; L2721-N2723 PolarHBondContact O-N 3.15Å; L2721-N2723 VanDerWaalsContact O-N 3.14Å; N2723-D2725 PolarHBondContact ND2-OD2 2.93Å; N2723-D2725 WeakPolarHBondContact OD1-CB 3.4Å; N2723-D2725 PolarHBondContact OD1-N 2.93Å |
| 2724 | G | 65.5 | Low | 69.7 | Low | 9 Ų | 9 | 37.7 Ų | 37.7 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 94.6 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2721 V2722 C2750 | L2721-G2724 WeakPolarHBondContact O-CA 3.32Å; L2721-G2724 PolarHBondContact O-N 3.28Å; V2722-G2724 PolarHBondContact O-N 3.43Å; G2724-C2750 PolarHBondContact O-SG 3.17Å; G2724-C2750 VanDerWaalsContact O-SG 3.34Å |
| 2725 | D | 69.2 | Low | 68.7 | Low | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | trans | -69.6 | 140.4 | 177.9 | -71.3 | -24.5 | 0 | 0 | 0 | 111 | L2721 N2723 | L2721-D2725 HydrophobicContact CB-CB 4.42Å; L2721-D2725 HydrophobicContact CD1-CB 4.29Å; L2721-D2725 PolarHBondContact N-O 2.82Å; N2723-D2725 PolarHBondContact ND2-OD2 2.93Å; N2723-D2725 WeakPolarHBondContact OD1-CB 3.4Å; N2723-D2725 PolarHBondContact OD1-N 2.93Å | ||
| 2726 | V | 72.8 | Confident | 67.2 | Low | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.7 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | I2718 V2720 I2753 | I2718-V2726 HydrophobicContact CG2-CG1 3.29Å; V2720-V2726 HydrophobicContact CG2-CG2 4.39Å; V2726-I2753 HydrophobicContact CG1-CD1 3.72Å |
| 2727 | I | 73 | Confident | 65.7 | Low | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142.5 | 178.4 | 63.9 | 171.4 | 0 | 0 | 0 | 110.4 | A2695 I2718 A2719 L2721 V2729 | A2695-I2727 HydrophobicContact CB-CD1 4.17Å; I2718-I2727 CarbonylContact C-O 3.55Å; I2718-I2727 WeakPolarHBondContact CA-O 3.35Å; I2718-I2727 WeakPolarHBondContact CG2-O 3.37Å; A2719-I2727 HydrophobicContact CB-CD1 4.09Å; A2719-I2727 HydrophobicContact CB-CG1 3.71Å; A2719-I2727 PolarHBondContact N-O 2.92Å; A2719-I2727 WeakPolarHBondContact O-CG1 3.32Å; A2719-I2727 PolarHBondContact O-N 3Å; L2721-I2727 HydrophobicContact CD1-CD1 4.49Å; L2721-I2727 HydrophobicContact CD1-CG2 4.07Å; L2721-I2727 HydrophobicContact CD2-CD1 3.96Å; L2721-I2727 HydrophobicContact CD2-CG1 4.41Å; L2721-I2727 HydrophobicContact CG-CD1 4.42Å; L2721-I2727 HydrophobicContact CG-CG2 4.42Å; I2727-V2729 HydrophobicContact CD1-CG2 4.2Å; I2727-V2729 HydrophobicContact CG1-CG2 4.37Å |
| 2728 | V | 74.9 | Confident | 63.6 | Low | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.9 | 172 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | E2716 I2717 | E2716-V2728 HydrophobicContact CB-CG1 4.15Å; E2716-V2728 VanDerWaalsContact OE2-CG1 3.27Å; E2716-V2728 WeakPolarHBondContact OE2-CG1 3.45Å; I2717-V2728 CarbonylContact O-C 3.52Å |
| 2729 | V | 72.8 | Confident | 61.8 | Low | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.2 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | L2637 E2716 I2717 I2727 | L2637-V2729 HydrophobicContact CD2-CB 4.34Å; L2637-V2729 HydrophobicContact CD2-CG1 4.09Å; L2637-V2729 HydrophobicContact CD2-CG2 4Å; E2716-V2729 CarbonylContact C-O 3.47Å; E2716-V2729 WeakPolarHBondContact CA-O 3.27Å; I2717-V2729 PolarHBondContact N-O 2.8Å; I2717-V2729 PolarHBondContact O-N 2.93Å; I2727-V2729 HydrophobicContact CD1-CG2 4.2Å; I2727-V2729 HydrophobicContact CG1-CG2 4.37Å |
| 2730 | T | 68.8 | Low | 59.9 | Low | 34 Ų | 34 | 66.2 Ų | 66.2 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 142.1 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | E2716 | E2716-T2730 HydrophobicContact CG-CG2 3.93Å; E2716-T2730 VanDerWaalsContact OE1-CG2 3.25Å; E2716-T2730 WeakPolarHBondContact OE1-CG2 3.23Å |
| 2731 | S | 62.3 | Low | 58.2 | Low | 6 Ų | 6 | 71.7 Ų | 71.7 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | trans | -82.4 | -6 | -179.6 | 74.6 | 0 | 0 | 0 | 0 | 115.6 | C2715 | C2715-S2731 WeakPolarHBondContact CB-OG 3.21Å; C2715-S2731 WeakPolarHBondContact O-CB 3.19Å; C2715-S2731 PolarHBondContact O-N 3.48Å; C2715-S2731 PolarHBondContact O-OG 2.85Å | ||
| 2732 | N | 58.7 | Low | 56.6 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -62.5 | 149.4 | -171.8 | -76.2 | -15.6 | 0 | 0 | 0 | 113.1 | R2734 | N2732-R2734 CarbonylContact O-C 3.5Å; N2732-R2734 PolarHBondContact O-N 3.05Å |
| 2733 | E | 50.5 | Low | 55.3 | Low | 165 Ų | 165 | 73 Ų | 73 | 77% | 0.771 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -59.6 | -12.2 | -175 | -64.5 | -177.1 | 168.6 | 0 | 0 | 115.1 | ||
| 2734 | R | 42.9 | Very low | 54.4 | Low | 207 Ų | 207 | 72 Ų | 72 | 78% | 0.781 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -93.9 | 108.8 | 172.2 | -66.5 | -176.8 | 179.9 | -179.9 | 0.6 | 107.4 | N2732 N2736 | N2732-R2734 CarbonylContact O-C 3.5Å; N2732-R2734 PolarHBondContact O-N 3.05Å; R2734-N2736 PolarHBondContact O-N 3.36Å |
| 2735 | E | 44.7 | Very low | 53.3 | Low | 156 Ų | 156 | 79 Ų | 79 | 73% | 0.729 | 38% | 0.383 | S | S | * | . | trans | -59.8 | 26.5 | 175.5 | -58.2 | 179.5 | 154 | 0 | 0 | 114.6 | F2737 | E2735-F2737 PolarHBondContact O-N 3.04Š| ||
| 2736 | N | 38.3 | Very low | 52.2 | Low | 121 Ų | 121 | 83.1 Ų | 83.1 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | trans | -86.1 | 95.8 | 177.7 | -73.1 | -7.2 | 0 | 0 | 0 | 108.9 | R2734 L2738 | R2734-N2736 PolarHBondContact O-N 3.36Å; N2736-L2738 PolarHBondContact O-N 3.03Å | ||
| 2737 | F | 42.7 | Very low | 51 | Low | 105 Ų | 105 | 86.2 Ų | 86.2 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | trans | -55.9 | 109.7 | 165.8 | -59.9 | -90.3 | 0 | 0 | 0 | 109.5 | F2693 E2735 F2739 | F2693-F2737 HydrophobicContact CD1-CE1 4.25Å; F2693-F2737 AromaticContact CD1-CZ 3.88Å; F2693-F2737 HydrophobicContact CD1-CZ 3.88Å; E2735-F2737 PolarHBondContact O-N 3.04Å; F2737-F2739 HydrophobicContact CB-CD2 4.16Å; F2737-F2739 HydrophobicContact CB-CE2 4.01Å; F2737-F2739 PolarHBondContact O-N 3.36Å | ||
| 2738 | L | 38 | Very low | 49.8 | Very low | 115 Ų | 115 | 89.5 Ų | 89.5 | 60% | 0.602 | 46% | 0.456 | S | S | * | . | trans | -78.6 | 97.9 | 158.8 | -85.9 | 142.9 | 0 | 0 | 0 | 106.4 | N2736 D2740 | N2736-L2738 PolarHBondContact O-N 3.03Å; L2738-D2740 PolarHBondContact O-N 3.38Å | ||
| 2739 | F | 41.4 | Very low | 48.8 | Very low | 148 Ų | 148 | 98.1 Ų | 98.1 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | trans | -64.9 | 75.7 | 165.9 | -76.5 | -86.5 | 0 | 0 | 0 | 108.7 | F2737 H2741 | F2737-F2739 HydrophobicContact CB-CD2 4.16Å; F2737-F2739 HydrophobicContact CB-CE2 4.01Å; F2737-F2739 PolarHBondContact O-N 3.36Å; F2739-H2741 PolarHBondContact O-N 2.85Å | ||
| 2740 | D | 41.1 | Very low | 48.3 | Very low | 29 Ų | 29 | 98.3 Ų | 98.3 | 16% | 0.155 | 49% | 0.489 | C | S | . | . | trans | -76.2 | 83.6 | 165 | -75.8 | -28 | 0 | 0 | 0 | 107.1 | L2738 C2742 R2778 | L2738-D2740 PolarHBondContact O-N 3.38Å; D2740-C2742 PolarHBondContact O-N 2.73Å; D2740-R2778 IonicContact OD1-CZ 2.81Å; D2740-R2778 IonicContact OD1-NH1 2.9Å; D2740-R2778 PolarHBondContact OD1-NH1 2.57Å; D2740-R2778 IonicContact OD1-NH2 2.68Å; D2740-R2778 IonicContact OD2-CZ 2.66Å; D2740-R2778 IonicContact OD2-NE 3.84Å; D2740-R2778 IonicContact OD2-NH1 3.76Å; D2740-R2778 PolarHBondContact OD2-NH1 3Å; D2740-R2778 IonicContact OD2-NH2 3.47Å; D2740-R2778 PolarHBondContact OD2-NH2 2.91Å | ||
| 2741 | H | 44.1 | Very low | 48.1 | Very low | 117 Ų | 117 | 99.1 Ų | 99.1 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | trans | -58.4 | 91.3 | 164.7 | -87.5 | -65.6 | 0 | 0 | 0 | 107.9 | F2739 T2743 | F2739-H2741 PolarHBondContact O-N 2.85Å; H2741-T2743 HydrophobicContact CB-CG2 4.25Å; H2741-T2743 PolarHBondContact O-N 3.25Å | ||
| 2742 | C | 46.2 | Very low | 48.4 | Very low | 12 Ų | 12 | 98.9 Ų | 98.9 | 8% | 0.081 | 49% | 0.494 | C | S | . | . | trans | -74.4 | 81.9 | 162.1 | -62.2 | 0 | 0 | 0 | 0 | 105.7 | D2740 V2744 F2780 | D2740-C2742 PolarHBondContact O-N 2.73Å; C2742-V2744 PolarHBondContact O-N 3.3Å; C2742-F2780 HydrophobicContact CB-CD2 4.29Å; C2742-F2780 HydrophobicContact CB-CE2 3.72Å | ||
| 2743 | T | 44.7 | Very low | 49.1 | Very low | 98 Ų | 98 | 96.5 Ų | 96.5 | 60% | 0.601 | 48% | 0.481 | S | S | * | . | trans | -65.6 | 107 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 108.6 | H2741 Q2745 | H2741-T2743 HydrophobicContact CB-CG2 4.25Å; H2741-T2743 PolarHBondContact O-N 3.25Å; T2743-Q2745 PolarHBondContact O-N 3.4Å; T2743-Q2745 VanDerWaalsContact O-N 3.14Å | ||
| 2744 | V | 49.8 | Very low | 50.1 | Low | 20 Ų | 20 | 89 Ų | 89 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | trans | -61.7 | 112.6 | 155.8 | -177.2 | 0 | 0 | 0 | 0 | 105 | C2742 N2746 F2780 | C2742-V2744 PolarHBondContact O-N 3.3Å; V2744-N2746 PolarHBondContact O-N 3.45Å; V2744-F2780 HydrophobicContact CG2-CD2 3.78Å; V2744-F2780 HydrophobicContact CG2-CE2 4.25Å; V2744-F2780 HydrophobicContact CG2-CG 4.37Å | ||
| 2745 | Q | 43.2 | Very low | 51.5 | Low | 157 Ų | 157 | 80.2 Ų | 80.2 | 73% | 0.734 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.1 | 127.7 | -175.1 | -81.2 | -177.5 | -19.6 | 0 | 0 | 111.2 | T2743 R2764 | T2743-Q2745 PolarHBondContact O-N 3.4Å; T2743-Q2745 VanDerWaalsContact O-N 3.14Å; Q2745-R2764 PolarHBondContact O-NH1 2.97Å |
| 2746 | N | 46 | Very low | 52.7 | Low | 138 Ų | 138 | 73.2 Ų | 73.2 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 27.5 | 172.7 | -54.8 | -17.2 | 0 | 0 | 0 | 119.8 | V2744 L2748 | V2744-N2746 PolarHBondContact O-N 3.45Å; N2746-L2748 VanDerWaalsContact C-N 3.35Å; N2746-L2748 WeakPolarHBondContact O-CG 3.24Å; N2746-L2748 PolarHBondContact O-N 2.68Å; N2746-L2748 VanDerWaalsContact O-N 3.13Å |
| 2747 | G | 46.4 | Very low | 54 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 58.1 | 35.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 2748 | L | 47.7 | Very low | 55.2 | Low | 102 Ų | 102 | 68 Ų | 68 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | trans | -126 | 145.5 | -176.3 | -76.5 | 159.8 | 0 | 0 | 0 | 110.7 | N2746 | N2746-L2748 VanDerWaalsContact C-N 3.35Å; N2746-L2748 WeakPolarHBondContact O-CG 3.24Å; N2746-L2748 PolarHBondContact O-N 2.68Å; N2746-L2748 VanDerWaalsContact O-N 3.13Å | ||
| 2749 | W | 54.4 | Low | 56.9 | Low | 195 Ų | 195 | 62.5 Ų | 62.5 | 74% | 0.739 | 34% | 0.34 | S | S | * | . | trans | -57.2 | 135.5 | -160.4 | -57.9 | -18.8 | 0 | 0 | 0 | 116.8 | ||||
| 2750 | C | 61.9 | Low | 58.6 | Low | 14 Ų | 14 | 55.8 Ų | 55.8 | 10% | 0.095 | 31% | 0.311 | C | S | . | . | trans | -87.5 | 128.4 | 167 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | V2720 G2724 | V2720-C2750 HydrophobicContact CG1-CB 4.12Å; G2724-C2750 PolarHBondContact O-SG 3.17Å; G2724-C2750 VanDerWaalsContact O-SG 3.34Å | ||
| 2751 | S | 64.5 | Low | 60.4 | Low | 51 Ų | 51 | 54.5 Ų | 54.5 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | trans | -87.3 | -30.1 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | T2763 I2796 | S2751-T2763 PolarHBondContact N-O 3.3Å; S2751-T2763 PolarHBondContact OG-O 2.9Å; S2751-T2763 PolarHBondContact OG-OG1 2.5Å; S2751-I2796 PolarHBondContact OG-O 3.47Å | ||
| 2752 | S | 69.2 | Low | 61.9 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 164.1 | 178.8 | 80.6 | 0 | 0 | 0 | 0 | 113.3 | T2762 T2763 N2797 S2798 L2799 | S2752-T2762 WeakPolarHBondContact O-CA 3.36Å; S2752-T2762 PolarHBondContact O-OG1 2.89Å; S2752-T2763 WeakPolarHBondContact CB-OG1 3.33Å; S2752-T2763 PolarHBondContact N-OG1 3.26Å; S2752-T2763 PolarHBondContact O-N 3.31Å; S2752-T2763 PolarHBondContact OG-OG1 2.92Å; S2752-N2797 WeakPolarHBondContact CB-O 3.29Å; S2752-S2798 WeakPolarHBondContact OG-CA 3.45Å; S2752-L2799 PolarHBondContact OG-N 2.65Å; S2752-L2799 VanDerWaalsContact OG-N 3.1Å |
| 2753 | I | 73.2 | Confident | 63.2 | Low | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.1 | 173.9 | -163.5 | 160 | 0 | 0 | 0 | 110.4 | K2701 I2718 V2720 V2726 I2760 F2761 | K2701-I2753 HydrophobicContact CB-CG2 4.22Å; K2701-I2753 HydrophobicContact CD-CG2 4.22Å; K2701-I2753 HydrophobicContact CG-CG2 4.11Å; I2718-I2753 HydrophobicContact CB-CD1 3.95Å; I2718-I2753 HydrophobicContact CG2-CD1 3.33Å; V2720-I2753 HydrophobicContact CG2-CB 3.62Å; V2720-I2753 HydrophobicContact CG2-CD1 3.81Å; V2720-I2753 HydrophobicContact CG2-CG1 4.33Å; V2720-I2753 HydrophobicContact CG2-CG2 3.63Å; V2726-I2753 HydrophobicContact CG1-CD1 3.72Å; I2753-I2760 HydrophobicContact CD1-CG2 3.91Å; I2753-I2760 HydrophobicContact CG1-CG2 4.02Å; I2753-F2761 WeakPolarHBondContact CA-O 3.39Å; I2753-F2761 WeakPolarHBondContact CG1-O 3.37Å |
| 2754 | G | 72.7 | Confident | 64.4 | Low | 7 Ų | 7 | 45.9 Ų | 45.9 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | F2761 | G2754-F2761 PolarHBondContact N-O 2.92Å; G2754-F2761 PolarHBondContact O-N 2.65Å |
| 2755 | T | 71.5 | Confident | 65.1 | Low | 22 Ų | 22 | 49.1 Ų | 49.1 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.2 | -177.2 | 56 | 0 | 0 | 0 | 0 | 110.2 | S2703 P2704 I2718 G2759 I2760 | S2703-T2755 PolarHBondContact OG-OG1 3.05Å; S2703-T2755 VanDerWaalsContact OG-OG1 3.11Å; P2704-T2755 VanDerWaalsContact O-CB 3.26Å; P2704-T2755 WeakPolarHBondContact O-CB 3.16Å; P2704-T2755 WeakPolarHBondContact O-CG2 3.36Å; P2704-T2755 PolarHBondContact O-OG1 3.28Å; I2718-T2755 HydrophobicContact CD1-CG2 3.59Å; I2718-T2755 HydrophobicContact CG1-CG2 4.45Å; T2755-G2759 WeakPolarHBondContact CA-O 3.32Å; T2755-I2760 HydrophobicContact CG2-CG2 4.44Å |
| 2756 | N | 69.3 | Low | 66.3 | Low | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | -174.2 | 166 | 75.8 | -2.2 | 0 | 0 | 0 | 110.3 | A2758 G2759 F2761 H2773 V2801 | N2756-A2758 PolarHBondContact O-N 2.82Å; N2756-A2758 VanDerWaalsContact OD1-CA 3.28Å; N2756-A2758 WeakPolarHBondContact OD1-CA 3.41Å; N2756-A2758 VanDerWaalsContact OD1-CB 3.25Å; N2756-A2758 WeakPolarHBondContact OD1-CB 3.3Å; N2756-A2758 PolarHBondContact OD1-N 3.26Å; N2756-G2759 PolarHBondContact N-O 2.83Å; N2756-G2759 PolarHBondContact O-N 3.3Å; N2756-G2759 PolarHBondContact OD1-N 3.39Å; N2756-G2759 PolarHBondContact OD1-O 2.91Å; N2756-F2761 HydrophobicContact CB-CE2 3.98Å; N2756-F2761 WeakPolarHBondContact ND2-CE2 3.44Å; N2756-F2761 WeakPolarHBondContact ND2-CZ 3.25Å; N2756-F2761 WeakPolarHBondContact OD1-CE2 3.23Å; N2756-F2761 VanDerWaalsContact OD1-CZ 3.31Å; N2756-F2761 WeakPolarHBondContact OD1-CZ 3.41Å; N2756-H2773 PolarHBondContact O-CD2 3.03Å; N2756-H2773 PolarHBondContact O-NE2 2.87Å; N2756-V2801 HydrophobicContact CB-CB 4.34Å; N2756-V2801 HydrophobicContact CB-CG1 4.13Å; N2756-V2801 HydrophobicContact CB-CG2 4.23Å |
| 2757 | D | 66.7 | Low | 67.5 | Low | 71 Ų | 71 | 38 Ų | 38 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.1 | 178.7 | -61 | -13.6 | 0 | 0 | 0 | 112.9 | R2803 | D2757-R2803 IonicContact OD2-CZ 3.81Å; D2757-R2803 IonicContact OD2-NH1 3.72Å; D2757-R2803 PolarHBondContact OD2-NH1 3.26Å; D2757-R2803 IonicContact OD2-NH2 2.59Å; D2757-R2803 PolarHBondContact OD2-NH2 2.88Å |
| 2758 | A | 67.7 | Low | 69 | Low | 46 Ų | 46 | 34.5 Ų | 34.5 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -29.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N2756 K2772 H2773 | N2756-A2758 PolarHBondContact O-N 2.82Å; N2756-A2758 VanDerWaalsContact OD1-CA 3.28Å; N2756-A2758 WeakPolarHBondContact OD1-CA 3.41Å; N2756-A2758 VanDerWaalsContact OD1-CB 3.25Å; N2756-A2758 WeakPolarHBondContact OD1-CB 3.3Å; N2756-A2758 PolarHBondContact OD1-N 3.26Å; A2758-K2772 VanDerWaalsContact O-CA 3.3Å; A2758-K2772 WeakPolarHBondContact O-CA 3.33Å; A2758-H2773 PolarHBondContact O-N 2.81Å |
| 2759 | G | 74.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | -166.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | T2755 N2756 F2761 C2771 H2773 | T2755-G2759 WeakPolarHBondContact CA-O 3.32Å; N2756-G2759 PolarHBondContact N-O 2.83Å; N2756-G2759 PolarHBondContact O-N 3.3Å; N2756-G2759 PolarHBondContact OD1-N 3.39Å; N2756-G2759 PolarHBondContact OD1-O 2.91Å; G2759-F2761 WeakPolarHBondContact O-CE2 3.4Å; G2759-C2771 CarbonylContact C-O 3.54Å; G2759-C2771 WeakPolarHBondContact CA-O 3.12Å; G2759-H2773 VanDerWaalsContact CA-CD2 3.5Å; G2759-H2773 WeakPolarHBondContact CA-CD2 3.39Å; G2759-H2773 PolarHBondContact N-CD2 2.78Å |
| 2760 | I | 76.6 | Confident | 71.6 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.3 | 178.8 | -50.8 | 164.5 | 0 | 0 | 0 | 108 | I2718 I2753 T2755 V2770 C2771 F2780 | I2718-I2760 HydrophobicContact CD1-CB 4.14Å; I2718-I2760 HydrophobicContact CD1-CD1 3.4Å; I2718-I2760 VanDerWaalsContact CD1-CD1 3.4Å; I2718-I2760 HydrophobicContact CD1-CG1 3.39Å; I2718-I2760 HydrophobicContact CD1-CG2 3.66Å; I2753-I2760 HydrophobicContact CD1-CG2 3.91Å; I2753-I2760 HydrophobicContact CG1-CG2 4.02Å; T2755-I2760 HydrophobicContact CG2-CG2 4.44Å; I2760-V2770 CarbonylContact O-C 3.52Å; I2760-V2770 WeakPolarHBondContact O-CA 3.49Å; I2760-C2771 HydrophobicContact CB-CB 4.44Å; I2760-C2771 PolarHBondContact N-O 3.32Å; I2760-C2771 PolarHBondContact O-N 3.16Å; I2760-F2780 HydrophobicContact CB-CE1 4.18Å; I2760-F2780 HydrophobicContact CB-CZ 4.33Å; I2760-F2780 HydrophobicContact CG2-CE1 3.99Å; I2760-F2780 HydrophobicContact CG2-CZ 3.93Å; I2760-F2780 WeakPolarHBondContact O-CE1 3.23Å |
| 2761 | F | 78.1 | Confident | 72.4 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.8 | 178.3 | -52.4 | -87.9 | 0 | 0 | 0 | 110.4 | I2753 G2754 N2756 G2759 F2769 V2770 I2783 L2799 V2801 Y2814 | I2753-F2761 WeakPolarHBondContact CA-O 3.39Å; I2753-F2761 WeakPolarHBondContact CG1-O 3.37Å; G2754-F2761 PolarHBondContact N-O 2.92Å; G2754-F2761 PolarHBondContact O-N 2.65Å; N2756-F2761 HydrophobicContact CB-CE2 3.98Å; N2756-F2761 WeakPolarHBondContact ND2-CE2 3.44Å; N2756-F2761 WeakPolarHBondContact ND2-CZ 3.25Å; N2756-F2761 WeakPolarHBondContact OD1-CE2 3.23Å; N2756-F2761 VanDerWaalsContact OD1-CZ 3.31Å; N2756-F2761 WeakPolarHBondContact OD1-CZ 3.41Å; G2759-F2761 WeakPolarHBondContact O-CE2 3.4Å; F2761-F2769 CarbonylContact C-O 3.55Å; F2761-F2769 VanDerWaalsContact CA-O 3.27Å; F2761-F2769 WeakPolarHBondContact CA-O 3.4Å; F2761-V2770 HydrophobicContact CD1-CB 3.72Å; F2761-V2770 HydrophobicContact CD1-CG2 3.66Å; F2761-V2770 HydrophobicContact CE1-CB 3.74Å; F2761-V2770 HydrophobicContact CE1-CG2 3.28Å; F2761-V2770 HydrophobicContact CZ-CG2 3.9Å; F2761-I2783 HydrophobicContact CD1-CD1 3.89Å; F2761-I2783 HydrophobicContact CE1-CD1 4.46Å; F2761-L2799 HydrophobicContact CB-CD2 3.77Å; F2761-V2801 HydrophobicContact CD2-CG2 3.83Å; F2761-V2801 HydrophobicContact CE2-CG2 3.82Å; F2761-Y2814 AromaticContact CD1-CE1 3.85Å; F2761-Y2814 HydrophobicContact CD1-CE1 3.85Å; F2761-Y2814 AromaticContact CE1-CE1 3.51Å; F2761-Y2814 HydrophobicContact CE1-CE1 3.51Å; F2761-Y2814 AromaticContact CE1-CZ 3.7Å; F2761-Y2814 WeakPolarHBondContact CE1-OH 3.47Å; F2761-Y2814 HydrophobicContact CE2-CE1 4.43Å; F2761-Y2814 HydrophobicContact CG-CE1 4.43Å; F2761-Y2814 AromaticContact CZ-CE1 3.86Å; F2761-Y2814 HydrophobicContact CZ-CE1 3.86Å |
| 2762 | T | 76.2 | Confident | 73 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.1 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | S2752 F2769 F2780 | S2752-T2762 WeakPolarHBondContact O-CA 3.36Å; S2752-T2762 PolarHBondContact O-OG1 2.89Å; T2762-F2769 HydrophobicContact CG2-CB 3.95Å; T2762-F2769 PolarHBondContact N-O 3.1Å; T2762-F2769 PolarHBondContact O-N 2.8Å; T2762-F2780 HydrophobicContact CG2-CD1 3.49Å; T2762-F2780 VanDerWaalsContact CG2-CD1 3.49Å; T2762-F2780 HydrophobicContact CG2-CE1 3.53Å; T2762-F2780 HydrophobicContact CG2-CG 4.01Å; T2762-F2780 HydrophobicContact CG2-CZ 4.08Å |
| 2763 | T | 73.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.4 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | S2751 S2752 M2767 A2768 I2796 L2799 | S2751-T2763 PolarHBondContact N-O 3.3Å; S2751-T2763 PolarHBondContact OG-O 2.9Å; S2751-T2763 PolarHBondContact OG-OG1 2.5Å; S2752-T2763 WeakPolarHBondContact CB-OG1 3.33Å; S2752-T2763 PolarHBondContact N-OG1 3.26Å; S2752-T2763 PolarHBondContact O-N 3.31Å; S2752-T2763 PolarHBondContact OG-OG1 2.92Å; T2763-M2767 CarbonylContact C-O 3.5Å; T2763-M2767 WeakPolarHBondContact CA-O 3.32Å; T2763-A2768 HydrophobicContact CG2-CB 4.43Å; T2763-I2796 HydrophobicContact CG2-CB 3.96Å; T2763-I2796 HydrophobicContact CG2-CD1 4.36Å; T2763-I2796 HydrophobicContact CG2-CG2 3.45Å; T2763-I2796 VanDerWaalsContact CG2-CG2 3.45Å; T2763-L2799 HydrophobicContact CG2-CB 3.47Å; T2763-L2799 VanDerWaalsContact CG2-CB 3.47Å; T2763-L2799 HydrophobicContact CG2-CD2 3.85Å; T2763-L2799 HydrophobicContact CG2-CG 4.26Å |
| 2764 | R | 69.4 | Low | 73.1 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 125.8 | 178.8 | 170.6 | -174.9 | 170.7 | -178.5 | 2 | 110.6 | Q2745 G2766 M2767 F2769 | Q2745-R2764 PolarHBondContact O-NH1 2.97Å; R2764-G2766 PolarHBondContact O-N 2.73Å; R2764-G2766 VanDerWaalsContact O-N 3.11Å; R2764-M2767 PolarHBondContact N-O 3.36Å; R2764-M2767 WeakPolarHBondContact O-CA 3.33Å; R2764-M2767 WeakPolarHBondContact O-CB 3.37Å; R2764-M2767 PolarHBondContact O-N 3.13Å; R2764-F2769 HydrophobicContact CB-CD2 4.41Å; R2764-F2769 HydrophobicContact CB-CE2 3.89Å |
| 2765 | S | 65.4 | Low | 73 | Confident | 87 Ų | 87 | 34.5 Ų | 34.5 | 61% | 0.608 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 47.6 | 172.5 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | M2767 | S2765-M2767 VanDerWaalsContact C-N 3.33Å; S2765-M2767 PolarHBondContact O-N 2.86Å |
| 2766 | G | 67.6 | Low | 72.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -16.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | R2764 C2790 M2794 I2796 | R2764-G2766 PolarHBondContact O-N 2.73Å; R2764-G2766 VanDerWaalsContact O-N 3.11Å; G2766-C2790 WeakPolarHBondContact O-CB 3.45Å; G2766-C2790 PolarHBondContact O-SG 3.34Å; G2766-M2794 WeakPolarHBondContact CA-O 3.42Å; G2766-I2796 WeakPolarHBondContact O-CD1 3.21Å; G2766-I2796 VanDerWaalsContact O-CG1 3.31Å; G2766-I2796 WeakPolarHBondContact O-CG1 2.95Å |
| 2767 | M | 72.1 | Confident | 72.8 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 30% | 0.3 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.4 | -176.1 | -60.6 | -177 | -114.5 | 0 | 0 | 112 | T2763 R2764 S2765 F2769 G2788 | T2763-M2767 CarbonylContact C-O 3.5Å; T2763-M2767 WeakPolarHBondContact CA-O 3.32Å; R2764-M2767 PolarHBondContact N-O 3.36Å; R2764-M2767 WeakPolarHBondContact O-CA 3.33Å; R2764-M2767 WeakPolarHBondContact O-CB 3.37Å; R2764-M2767 PolarHBondContact O-N 3.13Å; S2765-M2767 VanDerWaalsContact C-N 3.33Å; S2765-M2767 PolarHBondContact O-N 2.86Å; M2767-F2769 HydrophobicContact CB-CE2 3.62Å; M2767-F2769 HydrophobicContact CB-CZ 3.9Å; M2767-F2769 WeakPolarHBondContact O-CE2 3.28Å; M2767-G2788 WeakPolarHBondContact CG-O 3.5Å |
| 2768 | A | 77 | Confident | 72.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 141.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2763 I2783 M2787 I2796 L2799 | T2763-A2768 HydrophobicContact CG2-CB 4.43Å; A2768-I2783 HydrophobicContact CB-CD1 3.77Å; A2768-I2783 HydrophobicContact CB-CG1 4.45Å; A2768-I2783 PolarHBondContact O-N 2.99Å; A2768-M2787 HydrophobicContact CB-CB 4.27Å; A2768-M2787 HydrophobicContact CB-CE 3.46Å; A2768-M2787 VanDerWaalsContact CB-CE 3.46Å; A2768-M2787 HydrophobicContact CB-CG 4.43Å; A2768-M2787 PolarHBondContact N-O 2.88Å; A2768-M2787 VanDerWaalsContact N-O 3.14Å; A2768-I2796 HydrophobicContact CB-CD1 4.14Å; A2768-L2799 HydrophobicContact CB-CD2 4.08Å |
| 2769 | F | 77.4 | Confident | 72.8 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.8 | -178.2 | -57.7 | -98.8 | 0 | 0 | 0 | 110.7 | F2761 T2762 R2764 M2767 F2780 R2781 R2782 | F2761-F2769 CarbonylContact C-O 3.55Å; F2761-F2769 VanDerWaalsContact CA-O 3.27Å; F2761-F2769 WeakPolarHBondContact CA-O 3.4Å; T2762-F2769 HydrophobicContact CG2-CB 3.95Å; T2762-F2769 PolarHBondContact N-O 3.1Å; T2762-F2769 PolarHBondContact O-N 2.8Å; R2764-F2769 HydrophobicContact CB-CD2 4.41Å; R2764-F2769 HydrophobicContact CB-CE2 3.89Å; M2767-F2769 HydrophobicContact CB-CE2 3.62Å; M2767-F2769 HydrophobicContact CB-CZ 3.9Å; M2767-F2769 WeakPolarHBondContact O-CE2 3.28Å; F2769-F2780 HydrophobicContact CB-CB 4Å; F2769-F2780 HydrophobicContact CB-CD1 4.2Å; F2769-R2781 CarbonylContact C-O 3.54Å; F2769-R2781 VanDerWaalsContact CA-O 3.29Å; F2769-R2781 WeakPolarHBondContact CA-O 3.47Å; F2769-R2782 HydrophobicContact CD1-CB 4.15Å; F2769-R2782 HydrophobicContact CE1-CB 4.12Å; F2769-R2782 HydrophobicContact CE1-CG 4.43Å |
| 2770 | V | 79.4 | Confident | 72.8 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.2 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | I2760 F2761 R2781 I2783 | I2760-V2770 CarbonylContact O-C 3.52Å; I2760-V2770 WeakPolarHBondContact O-CA 3.49Å; F2761-V2770 HydrophobicContact CD1-CB 3.72Å; F2761-V2770 HydrophobicContact CD1-CG2 3.66Å; F2761-V2770 HydrophobicContact CE1-CB 3.74Å; F2761-V2770 HydrophobicContact CE1-CG2 3.28Å; F2761-V2770 HydrophobicContact CZ-CG2 3.9Å; V2770-R2781 PolarHBondContact N-O 2.69Å; V2770-R2781 PolarHBondContact O-N 2.93Å; V2770-I2783 HydrophobicContact CB-CD1 4.29Å; V2770-I2783 HydrophobicContact CB-CG1 3.95Å; V2770-I2783 HydrophobicContact CG1-CG1 3.83Å |
| 2771 | C | 78.9 | Confident | 72.7 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.5 | 165.6 | -177.2 | 0 | 0 | 0 | 0 | 107.2 | G2759 I2760 R2778 F2780 | G2759-C2771 CarbonylContact C-O 3.54Å; G2759-C2771 WeakPolarHBondContact CA-O 3.12Å; I2760-C2771 HydrophobicContact CB-CB 4.44Å; I2760-C2771 PolarHBondContact N-O 3.32Å; I2760-C2771 PolarHBondContact O-N 3.16Å; C2771-R2778 VanDerWaalsContact SG-C 3.54Å; C2771-F2780 HydrophobicContact CB-CD1 3.57Å; C2771-F2780 HydrophobicContact CB-CD2 4.32Å; C2771-F2780 HydrophobicContact CB-CE1 3.6Å; C2771-F2780 HydrophobicContact CB-CE2 4.35Å; C2771-F2780 HydrophobicContact CB-CG 3.95Å; C2771-F2780 HydrophobicContact CB-CZ 4.01Å |
| 2772 | K | 77.1 | Confident | 72.6 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 53% | 0.53 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 142.3 | 179.9 | -67.5 | -174.3 | 178 | -174.6 | 0 | 109.6 | A2758 T2774 D2775 | A2758-K2772 VanDerWaalsContact O-CA 3.3Å; A2758-K2772 WeakPolarHBondContact O-CA 3.33Å; K2772-T2774 PolarHBondContact O-N 3.33Å; K2772-T2774 VanDerWaalsContact O-N 3.1Å; K2772-D2775 HydrophobicContact CB-CB 4.31Å; K2772-D2775 WeakPolarHBondContact O-CB 3.43Å; K2772-D2775 PolarHBondContact O-N 2.76Å |
| 2773 | H | 72.7 | Confident | 72.6 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.4 | 177.3 | -69.3 | -54.5 | 0 | 0 | 0 | 112.7 | R2705 N2756 A2758 G2759 | R2705-H2773 PolarHBondContact O-CE1 2.98Å; R2705-H2773 PolarHBondContact O-NE2 2.79Å; N2756-H2773 PolarHBondContact O-CD2 3.03Å; N2756-H2773 PolarHBondContact O-NE2 2.87Å; A2758-H2773 PolarHBondContact O-N 2.81Å; G2759-H2773 VanDerWaalsContact CA-CD2 3.5Å; G2759-H2773 WeakPolarHBondContact CA-CD2 3.39Å; G2759-H2773 PolarHBondContact N-CD2 2.78Å |
| 2774 | T | 72.6 | Confident | 72.5 | Confident | 123 Ų | 123 | 66 Ų | 66 | 76% | 0.755 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8 | 177.2 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | K2772 E2776 | K2772-T2774 PolarHBondContact O-N 3.33Å; K2772-T2774 VanDerWaalsContact O-N 3.1Å; T2774-E2776 PolarHBondContact O-N 3.37Å |
| 2775 | D | 70.4 | Confident | 72.6 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | trans | -81.1 | 99.2 | -179 | -157.3 | 4.9 | 0 | 0 | 0 | 109.5 | K2772 S2777 R2778 R2781 | K2772-D2775 HydrophobicContact CB-CB 4.31Å; K2772-D2775 WeakPolarHBondContact O-CB 3.43Å; K2772-D2775 PolarHBondContact O-N 2.76Å; D2775-S2777 VanDerWaalsContact CG-OG 3.23Å; D2775-S2777 PolarHBondContact O-N 3.16Å; D2775-S2777 VanDerWaalsContact O-N 3.16Å; D2775-S2777 PolarHBondContact OD1-OG 3.26Å; D2775-S2777 PolarHBondContact OD2-OG 2.96Å; D2775-R2778 PolarHBondContact O-N 3.41Å; D2775-R2781 IonicContact OD1-NH2 3.76Å; D2775-R2781 PolarHBondContact OD1-NH2 3.39Å; D2775-R2781 VanDerWaalsContact OD1-NH2 3.12Å; D2775-R2781 IonicContact OD2-CZ 3.53Å; D2775-R2781 IonicContact OD2-NE 3.46Å; D2775-R2781 PolarHBondContact OD2-NE 2.77Å; D2775-R2781 IonicContact OD2-NH2 3.79Å; D2775-R2781 PolarHBondContact OD2-NH2 3.08Å | ||
| 2776 | E | 67.8 | Low | 72.8 | Confident | 191 Ų | 191 | 64.4 Ų | 64.4 | 89% | 0.893 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.2 | 179.5 | -68.4 | -172.6 | 170.6 | 0 | 0 | 112.8 | T2774 R2778 | T2774-E2776 PolarHBondContact O-N 3.37Å; E2776-R2778 PolarHBondContact O-N 3.31Å |
| 2777 | S | 67.5 | Low | 73.2 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.4 | 175.2 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | D2775 T2779 | D2775-S2777 VanDerWaalsContact CG-OG 3.23Å; D2775-S2777 PolarHBondContact O-N 3.16Å; D2775-S2777 VanDerWaalsContact O-N 3.16Å; D2775-S2777 PolarHBondContact OD1-OG 3.26Å; D2775-S2777 PolarHBondContact OD2-OG 2.96Å; S2777-T2779 PolarHBondContact O-N 2.99Å; S2777-T2779 PolarHBondContact OG-N 3.2Å; S2777-T2779 PolarHBondContact OG-OG1 2.81Å |
| 2778 | R | 68 | Low | 72.8 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | trans | 51.6 | 28.2 | -175.4 | -61.2 | 178.5 | 174.2 | 153.9 | -19.2 | 113.6 | D2740 C2771 D2775 E2776 | D2740-R2778 IonicContact OD1-CZ 2.81Å; D2740-R2778 IonicContact OD1-NH1 2.9Å; D2740-R2778 PolarHBondContact OD1-NH1 2.57Å; D2740-R2778 IonicContact OD1-NH2 2.68Å; D2740-R2778 IonicContact OD2-CZ 2.66Å; D2740-R2778 IonicContact OD2-NE 3.84Å; D2740-R2778 IonicContact OD2-NH1 3.76Å; D2740-R2778 PolarHBondContact OD2-NH1 3Å; D2740-R2778 IonicContact OD2-NH2 3.47Å; D2740-R2778 PolarHBondContact OD2-NH2 2.91Å; C2771-R2778 VanDerWaalsContact SG-C 3.54Å; D2775-R2778 PolarHBondContact O-N 3.41Å; E2776-R2778 PolarHBondContact O-N 3.31Å | ||
| 2779 | T | 67.2 | Low | 72.3 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 127.1 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | S2777 R2781 | S2777-T2779 PolarHBondContact O-N 2.99Å; S2777-T2779 PolarHBondContact OG-N 3.2Å; S2777-T2779 PolarHBondContact OG-OG1 2.81Å; T2779-R2781 PolarHBondContact O-N 2.94Å |
| 2780 | F | 74.7 | Confident | 71.6 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 118.1 | 170.3 | -77.1 | -81.7 | 0 | 0 | 0 | 110.8 | C2742 V2744 I2760 T2762 F2769 C2771 | C2742-F2780 HydrophobicContact CB-CD2 4.29Å; C2742-F2780 HydrophobicContact CB-CE2 3.72Å; V2744-F2780 HydrophobicContact CG2-CD2 3.78Å; V2744-F2780 HydrophobicContact CG2-CE2 4.25Å; V2744-F2780 HydrophobicContact CG2-CG 4.37Å; I2760-F2780 HydrophobicContact CB-CE1 4.18Å; I2760-F2780 HydrophobicContact CB-CZ 4.33Å; I2760-F2780 HydrophobicContact CG2-CE1 3.99Å; I2760-F2780 HydrophobicContact CG2-CZ 3.93Å; I2760-F2780 WeakPolarHBondContact O-CE1 3.23Å; T2762-F2780 HydrophobicContact CG2-CD1 3.49Å; T2762-F2780 VanDerWaalsContact CG2-CD1 3.49Å; T2762-F2780 HydrophobicContact CG2-CE1 3.53Å; T2762-F2780 HydrophobicContact CG2-CG 4.01Å; T2762-F2780 HydrophobicContact CG2-CZ 4.08Å; F2769-F2780 HydrophobicContact CB-CB 4Å; F2769-F2780 HydrophobicContact CB-CD1 4.2Å; C2771-F2780 HydrophobicContact CB-CD1 3.57Å; C2771-F2780 HydrophobicContact CB-CD2 4.32Å; C2771-F2780 HydrophobicContact CB-CE1 3.6Å; C2771-F2780 HydrophobicContact CB-CE2 4.35Å; C2771-F2780 HydrophobicContact CB-CG 3.95Å; C2771-F2780 HydrophobicContact CB-CZ 4.01Å |
| 2781 | R | 73.1 | Confident | 70.5 | Confident | 147 Ų | 147 | 68.4 Ų | 68.4 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.5 | 174 | -57.5 | -173.4 | -165.5 | -159.9 | 1.3 | 109.6 | F2769 V2770 D2775 T2779 I2783 | F2769-R2781 CarbonylContact C-O 3.54Å; F2769-R2781 VanDerWaalsContact CA-O 3.29Å; F2769-R2781 WeakPolarHBondContact CA-O 3.47Å; V2770-R2781 PolarHBondContact N-O 2.69Å; V2770-R2781 PolarHBondContact O-N 2.93Å; D2775-R2781 IonicContact OD1-NH2 3.76Å; D2775-R2781 PolarHBondContact OD1-NH2 3.39Å; D2775-R2781 VanDerWaalsContact OD1-NH2 3.12Å; D2775-R2781 IonicContact OD2-CZ 3.53Å; D2775-R2781 IonicContact OD2-NE 3.46Å; D2775-R2781 PolarHBondContact OD2-NE 2.77Å; D2775-R2781 IonicContact OD2-NH2 3.79Å; D2775-R2781 PolarHBondContact OD2-NH2 3.08Å; T2779-R2781 PolarHBondContact O-N 2.94Å; R2781-I2783 PolarHBondContact O-N 2.99Å |
| 2782 | R | 76.6 | Confident | 69.6 | Low | 137 Ų | 137 | 80.7 Ų | 80.7 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.4 | 176.7 | -169.1 | -177.6 | -175.4 | -176.3 | 3.5 | 109.9 | F2769 G2788 | F2769-R2782 HydrophobicContact CD1-CB 4.15Å; F2769-R2782 HydrophobicContact CE1-CB 4.12Å; F2769-R2782 HydrophobicContact CE1-CG 4.43Å; R2782-G2788 PolarHBondContact NE-O 2.86Å; R2782-G2788 VanDerWaalsContact NH2-C 3.33Å; R2782-G2788 PolarHBondContact NH2-O 2.75Å |
| 2783 | I | 75.8 | Confident | 69.1 | Low | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 137.5 | 172.4 | -58.7 | 174.1 | 0 | 0 | 0 | 107.7 | F2761 A2768 V2770 R2781 M2787 G2788 | F2761-I2783 HydrophobicContact CD1-CD1 3.89Å; F2761-I2783 HydrophobicContact CE1-CD1 4.46Å; A2768-I2783 HydrophobicContact CB-CD1 3.77Å; A2768-I2783 HydrophobicContact CB-CG1 4.45Å; A2768-I2783 PolarHBondContact O-N 2.99Å; V2770-I2783 HydrophobicContact CB-CD1 4.29Å; V2770-I2783 HydrophobicContact CB-CG1 3.95Å; V2770-I2783 HydrophobicContact CG1-CG1 3.83Å; R2781-I2783 PolarHBondContact O-N 2.99Å; I2783-M2787 HydrophobicContact CD1-CE 3.6Å; I2783-G2788 WeakPolarHBondContact O-CA 3.25Å |
| 2784 | S | 72 | Confident | 69.1 | Low | 78 Ų | 78 | 79.3 Ų | 79.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -67 | 174 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | N2832 G2833 | S2784-N2832 CarbonylContact C-O 3.52Å; S2784-N2832 PolarHBondContact OG-O 2.77Å; S2784-G2833 WeakPolarHBondContact O-CA 3.45Å |
| 2785 | G | 70.6 | Confident | 69 | Low | 30 Ų | 30 | 78.6 Ų | 78.6 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | 73.1 | -162.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M2787 G2788 S2789 G2833 D2834 | G2785-M2787 PolarHBondContact O-N 2.93Å; G2785-G2788 PolarHBondContact O-N 3.3Å; G2785-G2788 VanDerWaalsContact O-N 3.14Å; G2785-S2789 PolarHBondContact O-N 3.39Å; G2785-S2789 PolarHBondContact O-OG 2.96Å; G2785-G2833 CarbonylContact C-O 3.55Å; G2785-D2834 WeakPolarHBondContact CA-OD1 3.42Å |
| 2786 | Y | 71.3 | Confident | 69.2 | Low | 70 Ų | 70 | 77.2 Ų | 77.2 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | -174.2 | -169.8 | -95.2 | 0 | 0 | 0 | 113 | G2788 S2789 C2790 M2794 L2827 G2833 L2835 | Y2786-G2788 PolarHBondContact O-N 3.25Å; Y2786-S2789 CarbonylContact O-C 3.59Å; Y2786-S2789 PolarHBondContact O-N 2.9Å; Y2786-C2790 PolarHBondContact O-N 3.16Å; Y2786-C2790 PolarHBondContact O-SG 3.35Å; Y2786-C2790 VanDerWaalsContact O-SG 3.39Å; Y2786-M2794 HydrophobicContact CE1-CE 4.22Å; Y2786-L2827 HydrophobicContact CD1-CD1 4.25Å; Y2786-L2827 HydrophobicContact CE1-CD1 3.83Å; Y2786-L2827 HydrophobicContact CE1-CD2 4.47Å; Y2786-G2833 PolarHBondContact N-O 2.95Å; Y2786-L2835 HydrophobicContact CD1-CB 4.01Å; Y2786-L2835 HydrophobicContact CD1-CD1 4.37Å; Y2786-L2835 HydrophobicContact CD1-CD2 4.38Å; Y2786-L2835 HydrophobicContact CD1-CG 4.5Å; Y2786-L2835 HydrophobicContact CE1-CD2 4.25Å; Y2786-L2835 HydrophobicContact CG-CB 3.93Å |
| 2787 | M | 74.6 | Confident | 69.4 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 177.1 | -107.6 | 174.5 | 64.5 | 0 | 0 | 113.5 | A2768 I2783 G2785 L2799 Y2814 C2829 G2833 | A2768-M2787 HydrophobicContact CB-CB 4.27Å; A2768-M2787 HydrophobicContact CB-CE 3.46Å; A2768-M2787 VanDerWaalsContact CB-CE 3.46Å; A2768-M2787 HydrophobicContact CB-CG 4.43Å; A2768-M2787 PolarHBondContact N-O 2.88Å; A2768-M2787 VanDerWaalsContact N-O 3.14Å; I2783-M2787 HydrophobicContact CD1-CE 3.6Å; G2785-M2787 PolarHBondContact O-N 2.93Å; M2787-L2799 HydrophobicContact CE-CD1 3.5Å; M2787-L2799 VanDerWaalsContact CE-CD1 3.5Å; M2787-L2799 HydrophobicContact CE-CD2 3.85Å; M2787-L2799 HydrophobicContact CE-CG 4.34Å; M2787-L2799 HydrophobicContact SD-CD1 4.09Å; M2787-Y2814 HydrophobicContact CE-CD1 4.29Å; M2787-Y2814 HydrophobicContact CE-CD2 3.89Å; M2787-Y2814 HydrophobicContact CE-CG 3.75Å; M2787-Y2814 WeakPolarHBondContact SD-CB 3.37Å; M2787-Y2814 HydrophobicContact SD-CD2 3.82Å; M2787-Y2814 HydrophobicContact SD-CG 3.79Å; M2787-C2829 HydrophobicContact CG-CB 4.15Å; M2787-C2829 HydrophobicContact SD-CB 3.58Å; M2787-C2829 VanDerWaalsContact SD-CB 3.58Å; M2787-G2833 PolarHBondContact N-O 2.91Å |
| 2788 | G | 65 | Low | 69.7 | Low | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M2767 R2782 I2783 G2785 Y2786 | M2767-G2788 WeakPolarHBondContact CG-O 3.5Å; R2782-G2788 PolarHBondContact NE-O 2.86Å; R2782-G2788 VanDerWaalsContact NH2-C 3.33Å; R2782-G2788 PolarHBondContact NH2-O 2.75Å; I2783-G2788 WeakPolarHBondContact O-CA 3.25Å; G2785-G2788 PolarHBondContact O-N 3.3Å; G2785-G2788 VanDerWaalsContact O-N 3.14Å; Y2786-G2788 PolarHBondContact O-N 3.25Å |
| 2789 | S | 64.9 | Low | 70 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -104.9 | 14.9 | -166.6 | 69.3 | 0 | 0 | 0 | 0 | 116.3 | G2785 Y2786 E2791 | G2785-S2789 PolarHBondContact O-N 3.39Å; G2785-S2789 PolarHBondContact O-OG 2.96Å; Y2786-S2789 CarbonylContact O-C 3.59Å; Y2786-S2789 PolarHBondContact O-N 2.9Å; S2789-E2791 PolarHBondContact O-N 3.49Å |
| 2790 | C | 62.8 | Low | 70.4 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | trans | -39.7 | 126.3 | 173 | -71 | 0 | 0 | 0 | 0 | 110.1 | G2766 Y2786 M2794 | G2766-C2790 WeakPolarHBondContact O-CB 3.45Å; G2766-C2790 PolarHBondContact O-SG 3.34Å; Y2786-C2790 PolarHBondContact O-N 3.16Å; Y2786-C2790 PolarHBondContact O-SG 3.35Å; Y2786-C2790 VanDerWaalsContact O-SG 3.39Å; C2790-M2794 HydrophobicContact CB-CE 3.56Å; C2790-M2794 WeakPolarHBondContact SG-CE 3.29Å | ||
| 2791 | E | 56.3 | Low | 70.3 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | trans | -51.8 | 152.5 | -170.8 | -62.5 | -179.5 | 158.7 | 0 | 0 | 111.4 | S2789 E2793 M2794 | S2789-E2791 PolarHBondContact O-N 3.49Å; E2791-E2793 PolarHBondContact O-N 3.16Å; E2791-M2794 PolarHBondContact O-N 3.49Å | ||
| 2792 | R | 60.1 | Low | 70.1 | Confident | 263 Ų | 263 | 56.6 Ų | 56.6 | 99% | 0.992 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12.3 | -176.4 | -74.6 | -176.9 | 176.8 | 175 | -0.7 | 114.6 | ||
| 2793 | E | 67.8 | Low | 69.4 | Low | 122 Ų | 122 | 55 Ų | 55 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -5.4 | -177.4 | -58.4 | -172.9 | 177.2 | 0 | 0 | 114.3 | E2791 | E2791-E2793 PolarHBondContact O-N 3.16Š|
| 2794 | M | 72.2 | Confident | 68.4 | Low | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.7 | -178.9 | -166.6 | 166.2 | 72.7 | 0 | 0 | 111 | G2766 Y2786 C2790 E2791 C2818 L2820 L2827 | G2766-M2794 WeakPolarHBondContact CA-O 3.42Å; Y2786-M2794 HydrophobicContact CE1-CE 4.22Å; C2790-M2794 HydrophobicContact CB-CE 3.56Å; C2790-M2794 WeakPolarHBondContact SG-CE 3.29Å; E2791-M2794 PolarHBondContact O-N 3.49Å; M2794-C2818 HydrophobicContact CE-CB 4.39Å; M2794-C2818 HydrophobicContact CG-CB 3.72Å; M2794-C2818 HydrophobicContact SD-CB 3.75Å; M2794-L2820 HydrophobicContact CB-CD1 3.58Å; M2794-L2820 HydrophobicContact CG-CD1 3.68Å; M2794-L2820 HydrophobicContact SD-CD1 3.98Å; M2794-L2827 HydrophobicContact CE-CD1 3.55Å; M2794-L2827 HydrophobicContact SD-CD1 4.34Å |
| 2795 | W | 71.3 | Confident | 67.3 | Low | 108 Ų | 108 | 56.1 Ų | 56.1 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.1 | 176 | 55 | -74.2 | 0 | 0 | 0 | 110.1 | N2797 C2818 H2819 | W2795-N2797 HydrophobicContact CE3-CB 4.16Å; W2795-N2797 VanDerWaalsContact CE3-OD1 3.27Å; W2795-N2797 WeakPolarHBondContact CH2-ND2 3.45Å; W2795-N2797 HydrophobicContact CZ3-CB 4.13Å; W2795-N2797 WeakPolarHBondContact CZ3-ND2 3.4Å; W2795-N2797 WeakPolarHBondContact CZ3-OD1 3.45Å; W2795-N2797 PolarHBondContact O-N 2.9Å; W2795-C2818 CarbonylContact O-C 3.34Å; W2795-C2818 WeakPolarHBondContact O-CA 3.41Å; W2795-H2819 HydrophobicContact CD2-CB 4.3Å; W2795-H2819 AromaticContact CE2-CD2 3.7Å; W2795-H2819 AromaticContact CE2-CG 3.62Å; W2795-H2819 HydrophobicContact CH2-CB 4.35Å; W2795-H2819 AromaticContact CH2-CD2 3.25Å; W2795-H2819 WeakPolarHBondContact CH2-CD2 3.48Å; W2795-H2819 AromaticContact CH2-CG 3.75Å; W2795-H2819 AromaticContact CH2-NE2 3.52Å; W2795-H2819 HydrophobicContact CZ2-CB 3.3Å; W2795-H2819 AromaticContact CZ2-CD2 3.1Å; W2795-H2819 WeakPolarHBondContact CZ2-CD2 3.45Å; W2795-H2819 AromaticContact CZ2-CE1 3.98Å; W2795-H2819 AromaticContact CZ2-CG 3.09Å; W2795-H2819 AromaticContact CZ2-ND1 3.67Å; W2795-H2819 AromaticContact CZ2-NE2 3.71Å; W2795-H2819 AromaticContact CZ3-CD2 4Å; W2795-H2819 PolarHBondContact N-O 3.09Å; W2795-H2819 VanDerWaalsContact NE1-C 3.35Å; W2795-H2819 VanDerWaalsContact NE1-CB 3.29Å; W2795-H2819 PolarHBondContact NE1-O 2.96Å; W2795-H2819 VanDerWaalsContact NE1-O 3.07Å; W2795-H2819 PolarHBondContact O-N 2.93Å |
| 2796 | I | 72.7 | Confident | 66.2 | Low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.6 | 170.6 | -54.5 | 172.1 | 0 | 0 | 0 | 107.8 | S2751 T2763 G2766 A2768 A2816 E2817 | S2751-I2796 PolarHBondContact OG-O 3.47Å; T2763-I2796 HydrophobicContact CG2-CB 3.96Å; T2763-I2796 HydrophobicContact CG2-CD1 4.36Å; T2763-I2796 HydrophobicContact CG2-CG2 3.45Å; T2763-I2796 VanDerWaalsContact CG2-CG2 3.45Å; G2766-I2796 WeakPolarHBondContact O-CD1 3.21Å; G2766-I2796 VanDerWaalsContact O-CG1 3.31Å; G2766-I2796 WeakPolarHBondContact O-CG1 2.95Å; A2768-I2796 HydrophobicContact CB-CD1 4.14Å; I2796-A2816 HydrophobicContact CG2-CB 4.01Å; I2796-E2817 CarbonylContact C-O 3.51Å; I2796-E2817 WeakPolarHBondContact CA-O 3.2Å; I2796-E2817 WeakPolarHBondContact CG2-O 3.12Å |
| 2797 | N | 72.3 | Confident | 65.2 | Low | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -41.4 | -175.3 | -135.3 | -0.9 | 0 | 0 | 0 | 112.1 | S2752 W2795 E2817 H2819 | S2752-N2797 WeakPolarHBondContact CB-O 3.29Å; W2795-N2797 HydrophobicContact CE3-CB 4.16Å; W2795-N2797 VanDerWaalsContact CE3-OD1 3.27Å; W2795-N2797 WeakPolarHBondContact CH2-ND2 3.45Å; W2795-N2797 HydrophobicContact CZ3-CB 4.13Å; W2795-N2797 WeakPolarHBondContact CZ3-ND2 3.4Å; W2795-N2797 WeakPolarHBondContact CZ3-OD1 3.45Å; W2795-N2797 PolarHBondContact O-N 2.9Å; N2797-E2817 HydrophobicContact CB-CB 4.36Å; N2797-E2817 HydrophobicContact CB-CG 4Å; N2797-E2817 PolarHBondContact N-O 3.49Å; N2797-H2819 PolarHBondContact ND2-CD2 3.35Å; N2797-H2819 PolarHBondContact ND2-NE2 2.87Å |
| 2798 | S | 73.5 | Confident | 63.8 | Low | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.6 | -179.3 | 123.5 | 0 | 0 | 0 | 0 | 109.8 | S2752 A2816 E2817 Y2851 | S2752-S2798 WeakPolarHBondContact OG-CA 3.45Å; S2798-A2816 CarbonylContact O-C 3.58Å; S2798-A2816 WeakPolarHBondContact O-CA 3.26Å; S2798-E2817 PolarHBondContact N-O 3.38Å; S2798-E2817 PolarHBondContact O-N 3.36Å; S2798-Y2851 VanDerWaalsContact CB-OH 3.31Å; S2798-Y2851 WeakPolarHBondContact CB-OH 3.46Å; S2798-Y2851 PolarHBondContact OG-OH 3.42Å |
| 2799 | L | 74.9 | Confident | 63.1 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.8 | 174 | 179.8 | 68.1 | 0 | 0 | 0 | 109.4 | S2752 F2761 T2763 A2768 M2787 Y2814 L2815 A2816 | S2752-L2799 PolarHBondContact OG-N 2.65Å; S2752-L2799 VanDerWaalsContact OG-N 3.1Å; F2761-L2799 HydrophobicContact CB-CD2 3.77Å; T2763-L2799 HydrophobicContact CG2-CB 3.47Å; T2763-L2799 VanDerWaalsContact CG2-CB 3.47Å; T2763-L2799 HydrophobicContact CG2-CD2 3.85Å; T2763-L2799 HydrophobicContact CG2-CG 4.26Å; A2768-L2799 HydrophobicContact CB-CD2 4.08Å; M2787-L2799 HydrophobicContact CE-CD1 3.5Å; M2787-L2799 VanDerWaalsContact CE-CD1 3.5Å; M2787-L2799 HydrophobicContact CE-CD2 3.85Å; M2787-L2799 HydrophobicContact CE-CG 4.34Å; M2787-L2799 HydrophobicContact SD-CD1 4.09Å; L2799-Y2814 HydrophobicContact CD1-CD1 4.48Å; L2799-L2815 WeakPolarHBondContact CA-O 3.4Å; L2799-A2816 HydrophobicContact CD1-CB 3.95Å |
| 2800 | S | 75.3 | Confident | 62.6 | Low | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 158.7 | 173.2 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | L2815 | S2800-L2815 PolarHBondContact N-O 3.12Å; S2800-L2815 PolarHBondContact O-N 3.33Å; S2800-L2815 WeakPolarHBondContact OG-CB 3.26Å; S2800-L2815 WeakPolarHBondContact OG-CD2 3.46Å |
| 2801 | V | 72.7 | Confident | 62.7 | Low | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.7 | 179 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | N2756 F2761 F2812 Y2814 | N2756-V2801 HydrophobicContact CB-CB 4.34Å; N2756-V2801 HydrophobicContact CB-CG1 4.13Å; N2756-V2801 HydrophobicContact CB-CG2 4.23Å; F2761-V2801 HydrophobicContact CD2-CG2 3.83Å; F2761-V2801 HydrophobicContact CE2-CG2 3.82Å; V2801-F2812 HydrophobicContact CG1-CB 4.02Å; V2801-F2812 HydrophobicContact CG1-CD1 3.97Å; V2801-F2812 HydrophobicContact CG1-CG 4.34Å; V2801-Y2814 HydrophobicContact CG2-CD1 3.99Å; V2801-Y2814 HydrophobicContact CG2-CE1 3.96Å |
| 2802 | L | 70.3 | Confident | 63.3 | Low | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.7 | 171.7 | -60 | 169.9 | 0 | 0 | 0 | 108 | L2813 L2815 A2853 L2855 | L2802-L2813 HydrophobicContact CB-CB 4.29Å; L2802-L2813 PolarHBondContact N-O 2.87Å; L2802-L2813 PolarHBondContact O-N 2.9Å; L2802-L2815 HydrophobicContact CD1-CB 3.99Å; L2802-L2815 HydrophobicContact CD1-CD1 4.41Å; L2802-L2815 HydrophobicContact CG-CB 4.22Å; L2802-A2853 HydrophobicContact CD1-CB 4.44Å; L2802-L2855 HydrophobicContact CB-CD1 3.42Å; L2802-L2855 VanDerWaalsContact CB-CD1 3.42Å; L2802-L2855 HydrophobicContact CB-CG 4.24Å; L2802-L2855 HydrophobicContact CD1-CD1 4.44Å; L2802-L2855 HydrophobicContact CG-CD1 4.5Å |
| 2803 | R | 61.9 | Low | 64.1 | Low | 104 Ų | 104 | 53.8 Ų | 53.8 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.4 | -179.9 | -165.5 | 177.2 | -172.5 | 148.3 | 7.8 | 110.2 | D2757 D2810 F2812 | D2757-R2803 IonicContact OD2-CZ 3.81Å; D2757-R2803 IonicContact OD2-NH1 3.72Å; D2757-R2803 PolarHBondContact OD2-NH1 3.26Å; D2757-R2803 IonicContact OD2-NH2 2.59Å; D2757-R2803 PolarHBondContact OD2-NH2 2.88Å; R2803-D2810 IonicContact CZ-OD2 3.61Å; R2803-D2810 IonicContact NE-OD2 3.1Å; R2803-D2810 IonicContact NH2-OD2 2.72Å; R2803-D2810 PolarHBondContact NH2-OD2 2.87Å; R2803-F2812 HydrophobicContact CG-CD1 4.22Å; R2803-F2812 HydrophobicContact CG-CE1 3.97Å |
| 2804 | N | 53.8 | Low | 64.5 | Low | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.6 | 167.9 | -160.8 | 3.1 | 0 | 0 | 0 | 108.8 | L2806 H2811 T2865 | N2804-L2806 PolarHBondContact O-N 3.35Å; N2804-H2811 WeakPolarHBondContact CB-O 3.15Å; N2804-H2811 PolarHBondContact N-O 2.59Å; N2804-T2865 PolarHBondContact ND2-OG1 3.36Å; N2804-T2865 VanDerWaalsContact ND2-OG1 3.13Å |
| 2805 | V | 48.5 | Very low | 65 | Low | 107 Ų | 107 | 48.6 Ų | 48.6 | 65% | 0.648 | 27% | 0.265 | S | S | * | . | trans | -84.4 | 100.2 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2806 | L | 49 | Very low | 65.4 | Low | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | trans | -106.2 | 148.4 | 170.3 | -69.9 | 167.2 | 0 | 0 | 0 | 109.6 | N2804 E2808 H2811 N2887 | N2804-L2806 PolarHBondContact O-N 3.35Å; L2806-E2808 PolarHBondContact O-N 3.31Å; L2806-H2811 HydrophobicContact CD1-CB 4.39Å; L2806-N2887 WeakPolarHBondContact CD2-ND2 2.99Å | ||
| 2807 | A | 49.7 | Very low | 65.7 | Low | 91 Ų | 91 | 44.6 Ų | 44.6 | 75% | 0.752 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -67.8 | -18.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 2808 | E | 43.9 | Very low | 65.9 | Low | 188 Ų | 188 | 42.4 Ų | 42.4 | 88% | 0.879 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -132.4 | 74.6 | 178.7 | -71 | -175.6 | 164.1 | 0 | 0 | 109.9 | L2806 | L2806-E2808 PolarHBondContact O-N 3.31Š|
| 2809 | G | 52.1 | Low | 65.9 | Low | 43 Ų | 43 | 44 Ų | 44 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 106.7 | 126.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H2811 | G2809-H2811 PolarHBondContact O-N 3.33Å; G2809-H2811 VanDerWaalsContact O-N 3.16Å |
| 2810 | D | 54.1 | Low | 65.6 | Low | 67 Ų | 67 | 46.8 Ų | 46.8 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | trans | -72.7 | 101.6 | 173.3 | -85.4 | -15.9 | 0 | 0 | 0 | 109.6 | R2803 F2812 | R2803-D2810 IonicContact CZ-OD2 3.61Å; R2803-D2810 IonicContact NE-OD2 3.1Å; R2803-D2810 IonicContact NH2-OD2 2.72Å; R2803-D2810 PolarHBondContact NH2-OD2 2.87Å; D2810-F2812 HydrophobicContact CB-CE1 4.49Å; D2810-F2812 HydrophobicContact CB-CE2 4.04Å; D2810-F2812 HydrophobicContact CB-CZ 3.78Å; D2810-F2812 VanDerWaalsContact O-CE2 3.31Å; D2810-F2812 WeakPolarHBondContact O-CE2 3.5Å | ||
| 2811 | H | 64.3 | Low | 65.2 | Low | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.3 | 169.4 | -71.8 | -58.7 | 0 | 0 | 0 | 110.4 | N2804 L2806 G2809 E2831 I2889 | N2804-H2811 WeakPolarHBondContact CB-O 3.15Å; N2804-H2811 PolarHBondContact N-O 2.59Å; L2806-H2811 HydrophobicContact CD1-CB 4.39Å; G2809-H2811 PolarHBondContact O-N 3.33Å; G2809-H2811 VanDerWaalsContact O-N 3.16Å; H2811-E2831 IonicContact CE1-OE1 2.66Å; H2811-E2831 PolarHBondContact CE1-OE1 2.97Å; H2811-E2831 IonicContact CE1-OE2 2.91Å; H2811-E2831 IonicContact CG-OE2 3.78Å; H2811-E2831 VanDerWaalsContact ND1-CD 3.33Å; H2811-E2831 IonicContact ND1-OE1 3.72Å; H2811-E2831 PolarHBondContact ND1-OE1 2.98Å; H2811-E2831 VanDerWaalsContact ND1-OE1 3.1Å; H2811-E2831 IonicContact ND1-OE2 3.94Å; H2811-E2831 PolarHBondContact ND1-OE2 2.86Å; H2811-I2889 HydrophobicContact CB-CD1 4.23Å |
| 2812 | F | 69 | Low | 64.7 | Low | 28 Ų | 28 | 56.1 Ų | 56.1 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.2 | -179.2 | -53.5 | -85.5 | 0 | 0 | 0 | 111.2 | V2801 R2803 D2810 E2831 | V2801-F2812 HydrophobicContact CG1-CB 4.02Å; V2801-F2812 HydrophobicContact CG1-CD1 3.97Å; V2801-F2812 HydrophobicContact CG1-CG 4.34Å; R2803-F2812 HydrophobicContact CG-CD1 4.22Å; R2803-F2812 HydrophobicContact CG-CE1 3.97Å; D2810-F2812 HydrophobicContact CB-CE1 4.49Å; D2810-F2812 HydrophobicContact CB-CE2 4.04Å; D2810-F2812 HydrophobicContact CB-CZ 3.78Å; D2810-F2812 VanDerWaalsContact O-CE2 3.31Å; D2810-F2812 WeakPolarHBondContact O-CE2 3.5Å; F2812-E2831 PolarHBondContact O-N 2.93Å; F2812-E2831 VanDerWaalsContact O-N 3.17Å |
| 2813 | L | 75.7 | Confident | 64.7 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.6 | 167.6 | -70.3 | 177.2 | 0 | 0 | 0 | 109.5 | L2802 I2828 C2829 V2836 L2855 I2867 I2885 I2889 | L2802-L2813 HydrophobicContact CB-CB 4.29Å; L2802-L2813 PolarHBondContact N-O 2.87Å; L2802-L2813 PolarHBondContact O-N 2.9Å; L2813-I2828 HydrophobicContact CB-CG2 4.25Å; L2813-I2828 HydrophobicContact CD1-CG2 4.19Å; L2813-I2828 HydrophobicContact CD2-CG2 4.34Å; L2813-C2829 CarbonylContact C-O 3.54Å; L2813-C2829 WeakPolarHBondContact CA-O 3.41Å; L2813-C2829 WeakPolarHBondContact CD2-O 3.4Å; L2813-V2836 HydrophobicContact CD2-CG2 4.15Å; L2813-L2855 HydrophobicContact CB-CD1 4.5Å; L2813-L2855 HydrophobicContact CD1-CD1 4.01Å; L2813-L2855 HydrophobicContact CD1-CD2 4.38Å; L2813-I2867 HydrophobicContact CD1-CD1 3.76Å; L2813-I2885 HydrophobicContact CD1-CD1 4.02Å; L2813-I2889 HydrophobicContact CD2-CD1 3.91Å; L2813-I2889 HydrophobicContact CD2-CG2 4.13Å; L2813-I2889 HydrophobicContact CG-CD1 4.35Å |
| 2814 | Y | 77.9 | Confident | 65.5 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.8 | 171.9 | -63.4 | -60.7 | 0 | 0 | 0 | 109.9 | F2761 M2787 L2799 V2801 I2828 C2829 N2830 | F2761-Y2814 AromaticContact CD1-CE1 3.85Å; F2761-Y2814 HydrophobicContact CD1-CE1 3.85Å; F2761-Y2814 AromaticContact CE1-CE1 3.51Å; F2761-Y2814 HydrophobicContact CE1-CE1 3.51Å; F2761-Y2814 AromaticContact CE1-CZ 3.7Å; F2761-Y2814 WeakPolarHBondContact CE1-OH 3.47Å; F2761-Y2814 HydrophobicContact CE2-CE1 4.43Å; F2761-Y2814 HydrophobicContact CG-CE1 4.43Å; F2761-Y2814 AromaticContact CZ-CE1 3.86Å; F2761-Y2814 HydrophobicContact CZ-CE1 3.86Å; M2787-Y2814 HydrophobicContact CE-CD1 4.29Å; M2787-Y2814 HydrophobicContact CE-CD2 3.89Å; M2787-Y2814 HydrophobicContact CE-CG 3.75Å; M2787-Y2814 WeakPolarHBondContact SD-CB 3.37Å; M2787-Y2814 HydrophobicContact SD-CD2 3.82Å; M2787-Y2814 HydrophobicContact SD-CG 3.79Å; L2799-Y2814 HydrophobicContact CD1-CD1 4.48Å; V2801-Y2814 HydrophobicContact CG2-CD1 3.99Å; V2801-Y2814 HydrophobicContact CG2-CE1 3.96Å; Y2814-I2828 CarbonylContact O-C 3.58Å; Y2814-I2828 VanDerWaalsContact O-CA 3.24Å; Y2814-I2828 WeakPolarHBondContact O-CA 3.4Å; Y2814-C2829 PolarHBondContact N-O 2.89Å; Y2814-C2829 PolarHBondContact O-N 3.02Å; Y2814-N2830 WeakPolarHBondContact CD2-O 3.32Å; Y2814-N2830 WeakPolarHBondContact CE2-O 3.44Å |
| 2815 | L | 82 | Confident | 66.8 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 112.6 | 170.5 | -179.5 | 83.3 | 0 | 0 | 0 | 107.9 | L2799 S2800 L2802 I2826 L2827 I2828 Y2851 A2853 | L2799-L2815 WeakPolarHBondContact CA-O 3.4Å; S2800-L2815 PolarHBondContact N-O 3.12Å; S2800-L2815 PolarHBondContact O-N 3.33Å; S2800-L2815 WeakPolarHBondContact OG-CB 3.26Å; S2800-L2815 WeakPolarHBondContact OG-CD2 3.46Å; L2802-L2815 HydrophobicContact CD1-CB 3.99Å; L2802-L2815 HydrophobicContact CD1-CD1 4.41Å; L2802-L2815 HydrophobicContact CG-CB 4.22Å; L2815-I2826 HydrophobicContact CD1-CG2 3.45Å; L2815-I2826 VanDerWaalsContact CD1-CG2 3.45Å; L2815-I2826 HydrophobicContact CG-CG2 4.39Å; L2815-L2827 WeakPolarHBondContact CA-O 3.47Å; L2815-I2828 HydrophobicContact CD1-CD1 4.18Å; L2815-I2828 HydrophobicContact CD1-CG1 3.85Å; L2815-Y2851 HydrophobicContact CD2-CE2 4.44Å; L2815-A2853 HydrophobicContact CD1-CB 3.91Å; L2815-A2853 HydrophobicContact CD2-CB 3.63Å; L2815-A2853 HydrophobicContact CG-CB 4.41Å |
| 2816 | A | 78.9 | Confident | 68.5 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I2796 S2798 L2799 L2827 | I2796-A2816 HydrophobicContact CG2-CB 4.01Å; S2798-A2816 CarbonylContact O-C 3.58Å; S2798-A2816 WeakPolarHBondContact O-CA 3.26Å; L2799-A2816 HydrophobicContact CD1-CB 3.95Å; A2816-L2827 HydrophobicContact CB-CB 4.29Å; A2816-L2827 PolarHBondContact N-O 3.14Å; A2816-L2827 PolarHBondContact O-N 3.15Å |
| 2817 | E | 80.3 | Confident | 70.1 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.1 | 165.1 | 178.4 | -173.6 | -159.5 | 0 | 0 | 108.5 | I2796 N2797 S2798 H2819 W2824 Y2851 | I2796-E2817 CarbonylContact C-O 3.51Å; I2796-E2817 WeakPolarHBondContact CA-O 3.2Å; I2796-E2817 WeakPolarHBondContact CG2-O 3.12Å; N2797-E2817 HydrophobicContact CB-CB 4.36Å; N2797-E2817 HydrophobicContact CB-CG 4Å; N2797-E2817 PolarHBondContact N-O 3.49Å; S2798-E2817 PolarHBondContact N-O 3.38Å; S2798-E2817 PolarHBondContact O-N 3.36Å; E2817-H2819 IonicContact OE1-NE2 3.61Å; E2817-W2824 PolarHBondContact OE1-NE1 3.26Å; E2817-Y2851 HydrophobicContact CB-CE1 4.32Å; E2817-Y2851 HydrophobicContact CB-CE2 4.37Å; E2817-Y2851 VanDerWaalsContact CB-OH 3.26Å; E2817-Y2851 WeakPolarHBondContact CB-OH 3.46Å; E2817-Y2851 VanDerWaalsContact CD-OH 3.28Å; E2817-Y2851 HydrophobicContact CG-CE1 4.07Å; E2817-Y2851 VanDerWaalsContact OE1-CE1 3.3Å; E2817-Y2851 WeakPolarHBondContact OE1-CE1 3.47Å; E2817-Y2851 WeakPolarHBondContact OE2-CE1 3.3Å; E2817-Y2851 PolarHBondContact OE2-OH 3.33Å |
| 2818 | C | 77 | Confident | 71.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.9 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | M2794 W2795 K2825 L2827 | M2794-C2818 HydrophobicContact CE-CB 4.39Å; M2794-C2818 HydrophobicContact CG-CB 3.72Å; M2794-C2818 HydrophobicContact SD-CB 3.75Å; W2795-C2818 CarbonylContact O-C 3.34Å; W2795-C2818 WeakPolarHBondContact O-CA 3.41Å; C2818-K2825 WeakPolarHBondContact CA-O 3.34Å; C2818-K2825 HydrophobicContact CB-CB 4.43Å; C2818-K2825 PolarHBondContact N-O 2.94Å; C2818-K2825 PolarHBondContact O-N 2.76Å; C2818-L2827 WeakPolarHBondContact SG-CD1 3.34Å |
| 2819 | H | 73 | Confident | 73.5 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.4 | 148.3 | -33.5 | -142.5 | 0 | 0 | 0 | 112 | W2795 N2797 E2817 C2823 W2824 | W2795-H2819 HydrophobicContact CD2-CB 4.3Å; W2795-H2819 AromaticContact CE2-CD2 3.7Å; W2795-H2819 AromaticContact CE2-CG 3.62Å; W2795-H2819 HydrophobicContact CH2-CB 4.35Å; W2795-H2819 AromaticContact CH2-CD2 3.25Å; W2795-H2819 WeakPolarHBondContact CH2-CD2 3.48Å; W2795-H2819 AromaticContact CH2-CG 3.75Å; W2795-H2819 AromaticContact CH2-NE2 3.52Å; W2795-H2819 HydrophobicContact CZ2-CB 3.3Å; W2795-H2819 AromaticContact CZ2-CD2 3.1Å; W2795-H2819 WeakPolarHBondContact CZ2-CD2 3.45Å; W2795-H2819 AromaticContact CZ2-CE1 3.98Å; W2795-H2819 AromaticContact CZ2-CG 3.09Å; W2795-H2819 AromaticContact CZ2-ND1 3.67Å; W2795-H2819 AromaticContact CZ2-NE2 3.71Å; W2795-H2819 AromaticContact CZ3-CD2 4Å; W2795-H2819 PolarHBondContact N-O 3.09Å; W2795-H2819 VanDerWaalsContact NE1-C 3.35Å; W2795-H2819 VanDerWaalsContact NE1-CB 3.29Å; W2795-H2819 PolarHBondContact NE1-O 2.96Å; W2795-H2819 VanDerWaalsContact NE1-O 3.07Å; W2795-H2819 PolarHBondContact O-N 2.93Å; N2797-H2819 PolarHBondContact ND2-CD2 3.35Å; N2797-H2819 PolarHBondContact ND2-NE2 2.87Å; E2817-H2819 IonicContact OE1-NE2 3.61Å; H2819-C2823 CarbonylContact C-O 3.5Å; H2819-C2823 VanDerWaalsContact CA-O 3.26Å; H2819-C2823 WeakPolarHBondContact CA-O 3.43Å; H2819-C2823 WeakPolarHBondContact CB-O 3.06Å; H2819-W2824 AromaticContact CD2-CD1 3.99Å; H2819-W2824 AromaticContact CE1-CD1 3.44Å; H2819-W2824 VanDerWaalsContact CE1-CD1 3.44Å; H2819-W2824 AromaticContact ND1-CD1 3.74Å; H2819-W2824 AromaticContact NE2-CD1 3.57Å |
| 2820 | L | 68.9 | Low | 74.9 | Confident | 61 Ų | 61 | 35.6 Ų | 35.6 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 161.2 | 155.7 | -121.8 | 83 | 0 | 0 | 0 | 107.6 | M2794 N2822 C2823 | M2794-L2820 HydrophobicContact CB-CD1 3.58Å; M2794-L2820 HydrophobicContact CG-CD1 3.68Å; M2794-L2820 HydrophobicContact SD-CD1 3.98Å; L2820-N2822 CarbonylContact O-C 3.59Å; L2820-N2822 WeakPolarHBondContact O-CA 3.3Å; L2820-N2822 PolarHBondContact O-N 3.46Å; L2820-C2823 HydrophobicContact CB-CB 4.09Å; L2820-C2823 PolarHBondContact N-O 2.88Å; L2820-C2823 PolarHBondContact O-N 3.33Å |
| 2821 | I | 65.3 | Low | 75.8 | Confident | 126 Ų | 126 | 36 Ų | 36 | 65% | 0.646 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -33.8 | -33.7 | -178.9 | -67 | 164.9 | 0 | 0 | 0 | 114.5 | ||
| 2822 | N | 63.9 | Low | 76.3 | Confident | 150 Ų | 150 | 36.8 Ų | 36.8 | 80% | 0.802 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -138.4 | 15.7 | 170.1 | -67.8 | -48.1 | 0 | 0 | 0 | 116.1 | L2820 | L2820-N2822 CarbonylContact O-C 3.59Å; L2820-N2822 WeakPolarHBondContact O-CA 3.3Å; L2820-N2822 PolarHBondContact O-N 3.46Å |
| 2823 | C | 69.7 | Low | 76.5 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 47% | 0.466 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.4 | -173.7 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | H2819 L2820 | H2819-C2823 CarbonylContact C-O 3.5Å; H2819-C2823 VanDerWaalsContact CA-O 3.26Å; H2819-C2823 WeakPolarHBondContact CA-O 3.43Å; H2819-C2823 WeakPolarHBondContact CB-O 3.06Å; L2820-C2823 HydrophobicContact CB-CB 4.09Å; L2820-C2823 PolarHBondContact N-O 2.88Å; L2820-C2823 PolarHBondContact O-N 3.33Å |
| 2824 | W | 79 | Confident | 76.7 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.6 | 171.7 | -177.6 | 88.3 | 0 | 0 | 0 | 110.6 | E2817 H2819 I2826 F2839 L2841 V2848 Y2851 I2871 | E2817-W2824 PolarHBondContact OE1-NE1 3.26Å; H2819-W2824 AromaticContact CD2-CD1 3.99Å; H2819-W2824 AromaticContact CE1-CD1 3.44Å; H2819-W2824 VanDerWaalsContact CE1-CD1 3.44Å; H2819-W2824 AromaticContact ND1-CD1 3.74Å; H2819-W2824 AromaticContact NE2-CD1 3.57Å; W2824-I2826 HydrophobicContact CH2-CD1 3.14Å; W2824-I2826 HydrophobicContact CH2-CG1 3.45Å; W2824-I2826 VanDerWaalsContact CH2-CG1 3.45Å; W2824-I2826 HydrophobicContact CZ2-CD1 3.46Å; W2824-I2826 VanDerWaalsContact CZ2-CD1 3.46Å; W2824-I2826 HydrophobicContact CZ2-CG1 3.59Å; W2824-I2826 HydrophobicContact CZ3-CD1 4.04Å; W2824-I2826 HydrophobicContact CZ3-CG1 4Å; W2824-F2839 AromaticContact CZ3-CD1 3.96Å; W2824-F2839 HydrophobicContact CZ3-CD1 3.96Å; W2824-F2839 HydrophobicContact CZ3-CE1 4.08Å; W2824-L2841 HydrophobicContact CE3-CB 4.5Å; W2824-V2848 HydrophobicContact CD2-CB 4.07Å; W2824-V2848 HydrophobicContact CD2-CG1 4.42Å; W2824-V2848 HydrophobicContact CD2-CG2 3.71Å; W2824-V2848 HydrophobicContact CE3-CB 4.44Å; W2824-V2848 HydrophobicContact CE3-CG2 3.62Å; W2824-V2848 HydrophobicContact CG-CB 4.38Å; W2824-V2848 HydrophobicContact CG-CG2 4.25Å; W2824-V2848 HydrophobicContact CH2-CG1 4.08Å; W2824-V2848 HydrophobicContact CH2-CG2 4.12Å; W2824-V2848 HydrophobicContact CZ2-CB 4.3Å; W2824-V2848 HydrophobicContact CZ2-CG1 3.74Å; W2824-V2848 HydrophobicContact CZ2-CG2 4.28Å; W2824-V2848 HydrophobicContact CZ3-CG2 3.83Å; W2824-Y2851 HydrophobicContact CH2-CG 4.49Å; W2824-Y2851 AromaticContact CZ2-CD1 3.85Å; W2824-Y2851 HydrophobicContact CZ2-CD1 3.85Å; W2824-Y2851 AromaticContact CZ2-CG 3.89Å; W2824-Y2851 HydrophobicContact CZ2-CG 3.89Å; W2824-I2871 HydrophobicContact CH2-CD1 3.93Å; W2824-I2871 HydrophobicContact CH2-CG1 4.29Å; W2824-I2871 HydrophobicContact CH2-CG2 4.46Å; W2824-I2871 HydrophobicContact CZ3-CD1 3.85Å |
| 2825 | K | 80.9 | Confident | 76.8 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.6 | -174 | -172.9 | 168 | -170.1 | 171.4 | 0 | 111 | C2818 L2827 D2838 F2839 T2840 | C2818-K2825 WeakPolarHBondContact CA-O 3.34Å; C2818-K2825 HydrophobicContact CB-CB 4.43Å; C2818-K2825 PolarHBondContact N-O 2.94Å; C2818-K2825 PolarHBondContact O-N 2.76Å; K2825-L2827 HydrophobicContact CD-CD2 3.88Å; K2825-L2827 HydrophobicContact CG-CD2 3.94Å; K2825-D2838 VanDerWaalsContact CE-CB 3.45Å; K2825-D2838 WeakPolarHBondContact CE-OD2 3.25Å; K2825-D2838 IonicContact NZ-OD2 3.27Å; K2825-D2838 PolarHBondContact NZ-OD2 2.99Å; K2825-F2839 CarbonylContact C-O 3.54Å; K2825-F2839 WeakPolarHBondContact CA-O 3.32Å; K2825-F2839 WeakPolarHBondContact CG-O 3.37Å; K2825-T2840 HydrophobicContact CB-CG2 4.11Å; K2825-T2840 HydrophobicContact CD-CG2 3.57Å; K2825-T2840 HydrophobicContact CG-CG2 3.61Å |
| 2826 | I | 84.4 | Confident | 76.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.7 | 168.1 | -75.4 | -178.5 | 0 | 0 | 0 | 109 | L2815 W2824 I2828 D2838 F2839 Y2851 L2869 | L2815-I2826 HydrophobicContact CD1-CG2 3.45Å; L2815-I2826 VanDerWaalsContact CD1-CG2 3.45Å; L2815-I2826 HydrophobicContact CG-CG2 4.39Å; W2824-I2826 HydrophobicContact CH2-CD1 3.14Å; W2824-I2826 HydrophobicContact CH2-CG1 3.45Å; W2824-I2826 VanDerWaalsContact CH2-CG1 3.45Å; W2824-I2826 HydrophobicContact CZ2-CD1 3.46Å; W2824-I2826 VanDerWaalsContact CZ2-CD1 3.46Å; W2824-I2826 HydrophobicContact CZ2-CG1 3.59Å; W2824-I2826 HydrophobicContact CZ3-CD1 4.04Å; W2824-I2826 HydrophobicContact CZ3-CG1 4Å; I2826-I2828 HydrophobicContact CG2-CG1 4.37Å; I2826-D2838 CarbonylContact O-C 3.58Å; I2826-D2838 VanDerWaalsContact O-CA 3.27Å; I2826-D2838 WeakPolarHBondContact O-CA 3.47Å; I2826-F2839 HydrophobicContact CB-CB 4.49Å; I2826-F2839 PolarHBondContact N-O 3.3Å; I2826-F2839 PolarHBondContact O-N 3.28Å; I2826-Y2851 HydrophobicContact CD1-CD2 3.8Å; I2826-Y2851 HydrophobicContact CD1-CE2 4.37Å; I2826-Y2851 HydrophobicContact CD1-CG 4.19Å; I2826-L2869 HydrophobicContact CD1-CD1 3.41Å; I2826-L2869 VanDerWaalsContact CD1-CD1 3.41Å; I2826-L2869 HydrophobicContact CD1-CD2 3.94Å; I2826-L2869 HydrophobicContact CD1-CG 4.28Å; I2826-L2869 HydrophobicContact CG2-CD2 4.49Å |
| 2827 | L | 82.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | 172.7 | -51.9 | 176.9 | 0 | 0 | 0 | 109.2 | Y2786 M2794 L2815 A2816 C2818 K2825 L2835 D2838 | Y2786-L2827 HydrophobicContact CD1-CD1 4.25Å; Y2786-L2827 HydrophobicContact CE1-CD1 3.83Å; Y2786-L2827 HydrophobicContact CE1-CD2 4.47Å; M2794-L2827 HydrophobicContact CE-CD1 3.55Å; M2794-L2827 HydrophobicContact SD-CD1 4.34Å; L2815-L2827 WeakPolarHBondContact CA-O 3.47Å; A2816-L2827 HydrophobicContact CB-CB 4.29Å; A2816-L2827 PolarHBondContact N-O 3.14Å; A2816-L2827 PolarHBondContact O-N 3.15Å; C2818-L2827 WeakPolarHBondContact SG-CD1 3.34Å; K2825-L2827 HydrophobicContact CD-CD2 3.88Å; K2825-L2827 HydrophobicContact CG-CD2 3.94Å; L2827-L2835 HydrophobicContact CB-CD1 3.93Å; L2827-L2835 HydrophobicContact CD2-CD1 3.85Å; L2827-L2835 HydrophobicContact CG-CD1 4.38Å; L2827-D2838 HydrophobicContact CD2-CB 3.59Å |
| 2828 | I | 83.5 | Confident | 77.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.4 | 169 | -56.3 | -174.4 | 0 | 0 | 0 | 107 | L2813 Y2814 L2815 I2826 V2836 T2837 I2867 W2897 | L2813-I2828 HydrophobicContact CB-CG2 4.25Å; L2813-I2828 HydrophobicContact CD1-CG2 4.19Å; L2813-I2828 HydrophobicContact CD2-CG2 4.34Å; Y2814-I2828 CarbonylContact O-C 3.58Å; Y2814-I2828 VanDerWaalsContact O-CA 3.24Å; Y2814-I2828 WeakPolarHBondContact O-CA 3.4Å; L2815-I2828 HydrophobicContact CD1-CD1 4.18Å; L2815-I2828 HydrophobicContact CD1-CG1 3.85Å; I2826-I2828 HydrophobicContact CG2-CG1 4.37Å; I2828-V2836 WeakPolarHBondContact O-CA 3.28Å; I2828-V2836 WeakPolarHBondContact O-CB 3.37Å; I2828-V2836 PolarHBondContact O-N 3.04Å; I2828-T2837 HydrophobicContact CB-CG2 3.77Å; I2828-T2837 HydrophobicContact CD1-CG2 3.99Å; I2828-T2837 HydrophobicContact CG1-CG2 4.14Å; I2828-T2837 HydrophobicContact CG2-CG2 4.46Å; I2828-T2837 PolarHBondContact N-O 3.25Å; I2828-T2837 PolarHBondContact O-N 2.92Å; I2828-I2867 HydrophobicContact CD1-CD1 3.6Å; I2828-I2867 HydrophobicContact CD1-CG2 3.81Å; I2828-I2867 HydrophobicContact CG2-CD1 3.93Å; I2828-W2897 HydrophobicContact CD1-CH2 3.78Å; I2828-W2897 HydrophobicContact CD1-CZ2 3.62Å |
| 2829 | C | 81.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.9 | -178.2 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | M2787 L2813 Y2814 D2834 | M2787-C2829 HydrophobicContact CG-CB 4.15Å; M2787-C2829 HydrophobicContact SD-CB 3.58Å; M2787-C2829 VanDerWaalsContact SD-CB 3.58Å; L2813-C2829 CarbonylContact C-O 3.54Å; L2813-C2829 WeakPolarHBondContact CA-O 3.41Å; L2813-C2829 WeakPolarHBondContact CD2-O 3.4Å; Y2814-C2829 PolarHBondContact N-O 2.89Å; Y2814-C2829 PolarHBondContact O-N 3.02Å; C2829-D2834 CarbonylContact C-O 3.59Å; C2829-D2834 WeakPolarHBondContact CA-O 2.89Å; C2829-D2834 VanDerWaalsContact CB-O 3.29Å; C2829-D2834 WeakPolarHBondContact CB-O 3.48Å |
| 2830 | N | 79.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 176.6 | 174.7 | 68.4 | 11.3 | 0 | 0 | 0 | 111.1 | Y2814 N2832 G2833 D2834 V2836 I2889 | Y2814-N2830 WeakPolarHBondContact CD2-O 3.32Å; Y2814-N2830 WeakPolarHBondContact CE2-O 3.44Å; N2830-N2832 PolarHBondContact O-N 2.75Å; N2830-N2832 VanDerWaalsContact O-N 3.13Å; N2830-N2832 WeakPolarHBondContact OD1-CA 3.36Å; N2830-N2832 WeakPolarHBondContact OD1-CB 3.4Å; N2830-N2832 PolarHBondContact OD1-N 2.75Å; N2830-G2833 WeakPolarHBondContact O-CA 3.48Å; N2830-G2833 PolarHBondContact O-N 2.95Å; N2830-G2833 PolarHBondContact OD1-N 2.83Å; N2830-G2833 VanDerWaalsContact OD1-N 3.14Å; N2830-D2834 PolarHBondContact N-O 2.92Å; N2830-D2834 WeakPolarHBondContact OD1-CB 3.43Å; N2830-D2834 PolarHBondContact OD1-N 3.02Å; N2830-D2834 PolarHBondContact OD1-O 2.97Å; N2830-V2836 HydrophobicContact CB-CG2 3.67Å; N2830-V2836 VanDerWaalsContact N-CG2 3.34Å; N2830-I2889 HydrophobicContact CB-CG2 4.3Å |
| 2831 | E | 73.8 | Confident | 78.2 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.1 | 176.6 | 64.5 | -168.5 | -174.9 | 0 | 0 | 114.9 | H2811 F2812 G2833 | H2811-E2831 IonicContact CE1-OE1 2.66Å; H2811-E2831 PolarHBondContact CE1-OE1 2.97Å; H2811-E2831 IonicContact CE1-OE2 2.91Å; H2811-E2831 IonicContact CG-OE2 3.78Å; H2811-E2831 VanDerWaalsContact ND1-CD 3.33Å; H2811-E2831 IonicContact ND1-OE1 3.72Å; H2811-E2831 PolarHBondContact ND1-OE1 2.98Å; H2811-E2831 VanDerWaalsContact ND1-OE1 3.1Å; H2811-E2831 IonicContact ND1-OE2 3.94Å; H2811-E2831 PolarHBondContact ND1-OE2 2.86Å; F2812-E2831 PolarHBondContact O-N 2.93Å; F2812-E2831 VanDerWaalsContact O-N 3.17Å; E2831-G2833 VanDerWaalsContact C-N 3.28Å |
| 2832 | N | 74.5 | Confident | 78.3 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.2 | 175.9 | -64.9 | -28.8 | 0 | 0 | 0 | 113 | S2784 N2830 | S2784-N2832 CarbonylContact C-O 3.52Å; S2784-N2832 PolarHBondContact OG-O 2.77Å; N2830-N2832 PolarHBondContact O-N 2.75Å; N2830-N2832 VanDerWaalsContact O-N 3.13Å; N2830-N2832 WeakPolarHBondContact OD1-CA 3.36Å; N2830-N2832 WeakPolarHBondContact OD1-CB 3.4Å; N2830-N2832 PolarHBondContact OD1-N 2.75Å |
| 2833 | G | 73.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 82.4 | 10.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2784 G2785 Y2786 M2787 N2830 E2831 | S2784-G2833 WeakPolarHBondContact O-CA 3.45Å; G2785-G2833 CarbonylContact C-O 3.55Å; Y2786-G2833 PolarHBondContact N-O 2.95Å; M2787-G2833 PolarHBondContact N-O 2.91Å; N2830-G2833 WeakPolarHBondContact O-CA 3.48Å; N2830-G2833 PolarHBondContact O-N 2.95Å; N2830-G2833 PolarHBondContact OD1-N 2.83Å; N2830-G2833 VanDerWaalsContact OD1-N 3.14Å; E2831-G2833 VanDerWaalsContact C-N 3.28Å |
| 2834 | D | 79.8 | Confident | 77.9 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 35% | 0.348 | 22% | 0.223 | S | C | . | . | trans | -76.9 | 138.6 | 175.1 | -55.2 | -44.9 | 0 | 0 | 0 | 110.3 | G2785 C2829 N2830 V2836 | G2785-D2834 WeakPolarHBondContact CA-OD1 3.42Å; C2829-D2834 CarbonylContact C-O 3.59Å; C2829-D2834 WeakPolarHBondContact CA-O 2.89Å; C2829-D2834 VanDerWaalsContact CB-O 3.29Å; C2829-D2834 WeakPolarHBondContact CB-O 3.48Å; N2830-D2834 PolarHBondContact N-O 2.92Å; N2830-D2834 WeakPolarHBondContact OD1-CB 3.43Å; N2830-D2834 PolarHBondContact OD1-N 3.02Å; N2830-D2834 PolarHBondContact OD1-O 2.97Å; D2834-V2836 PolarHBondContact O-N 2.93Å | ||
| 2835 | L | 80.9 | Confident | 77.6 | Confident | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 117.7 | 179.5 | -176.9 | 65.4 | 0 | 0 | 0 | 110.1 | Y2786 L2827 T2837 D2838 V2891 | Y2786-L2835 HydrophobicContact CD1-CB 4.01Å; Y2786-L2835 HydrophobicContact CD1-CD1 4.37Å; Y2786-L2835 HydrophobicContact CD1-CD2 4.38Å; Y2786-L2835 HydrophobicContact CD1-CG 4.5Å; Y2786-L2835 HydrophobicContact CE1-CD2 4.25Å; Y2786-L2835 HydrophobicContact CG-CB 3.93Å; L2827-L2835 HydrophobicContact CB-CD1 3.93Å; L2827-L2835 HydrophobicContact CD2-CD1 3.85Å; L2827-L2835 HydrophobicContact CG-CD1 4.38Å; L2835-T2837 WeakPolarHBondContact CD1-O 3.41Å; L2835-D2838 HydrophobicContact CD1-CB 4.28Å; L2835-D2838 HydrophobicContact CD2-CB 4.5Å; L2835-V2891 WeakPolarHBondContact O-CG1 3.24Å; L2835-V2891 WeakPolarHBondContact O-CG2 3.3Å |
| 2836 | V | 79 | Confident | 77.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -48.5 | 175.8 | 178 | 0 | 0 | 0 | 0 | 109.7 | L2813 I2828 N2830 D2834 I2885 I2889 V2892 | L2813-V2836 HydrophobicContact CD2-CG2 4.15Å; I2828-V2836 WeakPolarHBondContact O-CA 3.28Å; I2828-V2836 WeakPolarHBondContact O-CB 3.37Å; I2828-V2836 PolarHBondContact O-N 3.04Å; N2830-V2836 HydrophobicContact CB-CG2 3.67Å; N2830-V2836 VanDerWaalsContact N-CG2 3.34Å; D2834-V2836 PolarHBondContact O-N 2.93Å; V2836-I2885 HydrophobicContact CG1-CD1 3.9Å; V2836-I2885 HydrophobicContact CG1-CG1 4.49Å; V2836-I2885 HydrophobicContact CG1-CG2 4.47Å; V2836-I2889 HydrophobicContact CB-CG2 4.43Å; V2836-I2889 HydrophobicContact CG1-CG2 3.86Å; V2836-I2889 HydrophobicContact CG2-CG2 3.61Å; V2836-V2892 HydrophobicContact CG1-CG2 4.48Å; V2836-V2892 CarbonylContact O-C 3.59Å; V2836-V2892 WeakPolarHBondContact O-CA 3.42Å; V2836-V2892 PolarHBondContact O-N 2.91Å |
| 2837 | T | 83.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.1 | 175.6 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | I2828 L2835 W2897 | I2828-T2837 HydrophobicContact CB-CG2 3.77Å; I2828-T2837 HydrophobicContact CD1-CG2 3.99Å; I2828-T2837 HydrophobicContact CG1-CG2 4.14Å; I2828-T2837 HydrophobicContact CG2-CG2 4.46Å; I2828-T2837 PolarHBondContact N-O 3.25Å; I2828-T2837 PolarHBondContact O-N 2.92Å; L2835-T2837 WeakPolarHBondContact CD1-O 3.41Å; T2837-W2897 HydrophobicContact CG2-CZ2 4.03Å; T2837-W2897 PolarHBondContact OG1-NE1 3.29Å |
| 2838 | D | 85.2 | Confident | 77.1 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.6 | 174.4 | 59.7 | -39.6 | 0 | 0 | 0 | 111.6 | K2825 I2826 L2827 L2835 S2894 W2897 | K2825-D2838 VanDerWaalsContact CE-CB 3.45Å; K2825-D2838 WeakPolarHBondContact CE-OD2 3.25Å; K2825-D2838 IonicContact NZ-OD2 3.27Å; K2825-D2838 PolarHBondContact NZ-OD2 2.99Å; I2826-D2838 CarbonylContact O-C 3.58Å; I2826-D2838 VanDerWaalsContact O-CA 3.27Å; I2826-D2838 WeakPolarHBondContact O-CA 3.47Å; L2827-D2838 HydrophobicContact CD2-CB 3.59Å; L2835-D2838 HydrophobicContact CD1-CB 4.28Å; L2835-D2838 HydrophobicContact CD2-CB 4.5Å; D2838-S2894 WeakPolarHBondContact OD1-CB 3.5Å; D2838-W2897 PolarHBondContact O-NE1 3.26Å |
| 2839 | F | 83.8 | Confident | 77.1 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.1 | 174 | 179 | -95.5 | 0 | 0 | 0 | 109.3 | W2824 K2825 I2826 L2841 L2869 I2871 L2881 W2897 | W2824-F2839 AromaticContact CZ3-CD1 3.96Å; W2824-F2839 HydrophobicContact CZ3-CD1 3.96Å; W2824-F2839 HydrophobicContact CZ3-CE1 4.08Å; K2825-F2839 CarbonylContact C-O 3.54Å; K2825-F2839 WeakPolarHBondContact CA-O 3.32Å; K2825-F2839 WeakPolarHBondContact CG-O 3.37Å; I2826-F2839 HydrophobicContact CB-CB 4.49Å; I2826-F2839 PolarHBondContact N-O 3.3Å; I2826-F2839 PolarHBondContact O-N 3.28Å; F2839-L2841 HydrophobicContact CE1-CB 4.44Å; F2839-L2869 HydrophobicContact CB-CD2 4.11Å; F2839-L2869 HydrophobicContact CD1-CD2 3.92Å; F2839-L2869 HydrophobicContact CG-CD2 3.96Å; F2839-I2871 HydrophobicContact CD1-CD1 3.8Å; F2839-I2871 HydrophobicContact CE1-CD1 3.24Å; F2839-I2871 HydrophobicContact CZ-CD1 3.9Å; F2839-L2881 HydrophobicContact CD1-CD1 4.44Å; F2839-L2881 HydrophobicContact CD2-CD1 4.08Å; F2839-L2881 HydrophobicContact CE1-CD1 3.92Å; F2839-L2881 HydrophobicContact CE2-CD1 3.49Å; F2839-L2881 VanDerWaalsContact CE2-CD1 3.49Å; F2839-L2881 HydrophobicContact CE2-CD2 4.16Å; F2839-L2881 HydrophobicContact CE2-CG 4.46Å; F2839-L2881 HydrophobicContact CZ-CD1 3.4Å; F2839-L2881 VanDerWaalsContact CZ-CD1 3.4Å; F2839-W2897 HydrophobicContact CB-CD2 4.46Å; F2839-W2897 HydrophobicContact CB-CZ2 4.48Å; F2839-W2897 HydrophobicContact CD2-CB 4.11Å; F2839-W2897 HydrophobicContact CD2-CD2 4.26Å; F2839-W2897 AromaticContact CD2-CG 3.87Å; F2839-W2897 HydrophobicContact CD2-CG 3.87Å |
| 2840 | T | 80.7 | Confident | 77.1 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.9 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | K2825 D2842 | K2825-T2840 HydrophobicContact CB-CG2 4.11Å; K2825-T2840 HydrophobicContact CD-CG2 3.57Å; K2825-T2840 HydrophobicContact CG-CG2 3.61Å; T2840-D2842 PolarHBondContact O-N 2.71Å; T2840-D2842 PolarHBondContact OG1-OD1 3.24Å; T2840-D2842 VanDerWaalsContact OG1-OD1 3.08Å |
| 2841 | L | 75.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | trans | -88.4 | 102.8 | 167.8 | -170.3 | 71.6 | 0 | 0 | 0 | 107.8 | W2824 F2839 N2843 I2846 V2848 T2873 | W2824-L2841 HydrophobicContact CE3-CB 4.5Å; F2839-L2841 HydrophobicContact CE1-CB 4.44Å; L2841-N2843 PolarHBondContact O-N 3.28Å; L2841-N2843 VanDerWaalsContact O-N 3.11Å; L2841-I2846 HydrophobicContact CD2-CB 4.31Å; L2841-I2846 HydrophobicContact CD2-CG2 4.18Å; L2841-I2846 WeakPolarHBondContact CD2-O 3.43Å; L2841-V2848 HydrophobicContact CD2-CG2 3.85Å; L2841-T2873 HydrophobicContact CD2-CG2 4.38Å | ||
| 2842 | D | 66.9 | Low | 77.8 | Confident | 147 Ų | 147 | 52.7 Ų | 52.7 | 79% | 0.786 | 29% | 0.292 | S | S | * | . | trans | -70.6 | -5.2 | -173 | -67.1 | -13.6 | 0 | 0 | 0 | 113.9 | T2840 | T2840-D2842 PolarHBondContact O-N 2.71Å; T2840-D2842 PolarHBondContact OG1-OD1 3.24Å; T2840-D2842 VanDerWaalsContact OG1-OD1 3.08Å | ||
| 2843 | N | 66.6 | Low | 78.1 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | trans | -97.9 | 102.4 | -171.6 | -144.2 | -1.2 | 0 | 0 | 0 | 111.9 | L2841 S2845 I2846 | L2841-N2843 PolarHBondContact O-N 3.28Å; L2841-N2843 VanDerWaalsContact O-N 3.11Å; N2843-S2845 PolarHBondContact O-N 3.24Å; N2843-S2845 VanDerWaalsContact O-N 3.09Å; N2843-I2846 HydrophobicContact CB-CD1 4.31Å; N2843-I2846 HydrophobicContact CB-CG1 4.4Å; N2843-I2846 VanDerWaalsContact ND2-CD1 3.35Å; N2843-I2846 WeakPolarHBondContact ND2-CD1 3.39Å; N2843-I2846 PolarHBondContact O-N 3.44Å | ||
| 2844 | S | 60.5 | Low | 78.3 | Confident | 126 Ų | 126 | 50 Ų | 50 | 88% | 0.881 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17 | -173.2 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2845 | S | 72.6 | Confident | 78 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -21.8 | 179.3 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | N2843 | N2843-S2845 PolarHBondContact O-N 3.24Å; N2843-S2845 VanDerWaalsContact O-N 3.09Å |
| 2846 | I | 75.6 | Confident | 77.5 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 119.3 | -173.5 | -57.7 | -179.5 | 0 | 0 | 0 | 108.4 | L2841 N2843 T2873 | L2841-I2846 HydrophobicContact CD2-CB 4.31Å; L2841-I2846 HydrophobicContact CD2-CG2 4.18Å; L2841-I2846 WeakPolarHBondContact CD2-O 3.43Å; N2843-I2846 HydrophobicContact CB-CD1 4.31Å; N2843-I2846 HydrophobicContact CB-CG1 4.4Å; N2843-I2846 VanDerWaalsContact ND2-CD1 3.35Å; N2843-I2846 WeakPolarHBondContact ND2-CD1 3.39Å; N2843-I2846 PolarHBondContact O-N 3.44Å; I2846-T2873 VanDerWaalsContact CG2-CB 3.47Å; I2846-T2873 HydrophobicContact CG2-CG2 3.67Å |
| 2847 | K | 79.8 | Confident | 76.6 | Confident | 159 Ų | 159 | 50.9 Ų | 50.9 | 69% | 0.691 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 140.1 | 175.9 | -65.5 | -176.7 | -179.4 | -179.1 | 0 | 109.5 | T2873 S2874 | K2847-T2873 CarbonylContact O-C 3.57Å; K2847-T2873 WeakPolarHBondContact O-CA 3.4Å; K2847-S2874 PolarHBondContact N-OG 3.36Å; K2847-S2874 PolarHBondContact O-N 3.18Å; K2847-S2874 PolarHBondContact O-OG 3.01Å |
| 2848 | V | 80.7 | Confident | 75.2 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.9 | 167.6 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | W2824 L2841 I2871 | W2824-V2848 HydrophobicContact CD2-CB 4.07Å; W2824-V2848 HydrophobicContact CD2-CG1 4.42Å; W2824-V2848 HydrophobicContact CD2-CG2 3.71Å; W2824-V2848 HydrophobicContact CE3-CB 4.44Å; W2824-V2848 HydrophobicContact CE3-CG2 3.62Å; W2824-V2848 HydrophobicContact CG-CB 4.38Å; W2824-V2848 HydrophobicContact CG-CG2 4.25Å; W2824-V2848 HydrophobicContact CH2-CG1 4.08Å; W2824-V2848 HydrophobicContact CH2-CG2 4.12Å; W2824-V2848 HydrophobicContact CZ2-CB 4.3Å; W2824-V2848 HydrophobicContact CZ2-CG1 3.74Å; W2824-V2848 HydrophobicContact CZ2-CG2 4.28Å; W2824-V2848 HydrophobicContact CZ3-CG2 3.83Å; L2841-V2848 HydrophobicContact CD2-CG2 3.85Å; V2848-I2871 HydrophobicContact CB-CG2 4.25Å; V2848-I2871 HydrophobicContact CG1-CG2 3.67Å; V2848-I2871 HydrophobicContact CG2-CG2 3.69Å |
| 2849 | T | 83.8 | Confident | 73.6 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -21.1 | -177.4 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | A2872 E2908 I2909 T2910 | T2849-A2872 PolarHBondContact N-O 3.34Å; T2849-A2872 PolarHBondContact OG1-O 3.27Å; T2849-E2908 HydrophobicContact CG2-CG 3.79Å; T2849-E2908 WeakPolarHBondContact CG2-OE1 3.18Å; T2849-I2909 CarbonylContact C-O 3.48Å; T2849-I2909 WeakPolarHBondContact CB-O 3.31Å; T2849-I2909 PolarHBondContact OG1-O 3.29Å; T2849-T2910 VanDerWaalsContact O-O 3.13Å |
| 2850 | G | 82.7 | Confident | 72.3 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 156.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A2872 | G2850-A2872 PolarHBondContact N-O 3.01Å; G2850-A2872 PolarHBondContact O-N 3.26Å |
| 2851 | Y | 86.2 | Confident | 71.2 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.3 | 175.6 | 69.6 | -81.4 | 0 | 0 | 0 | 110.9 | S2798 L2815 E2817 W2824 I2826 I2870 | S2798-Y2851 VanDerWaalsContact CB-OH 3.31Å; S2798-Y2851 WeakPolarHBondContact CB-OH 3.46Å; S2798-Y2851 PolarHBondContact OG-OH 3.42Å; L2815-Y2851 HydrophobicContact CD2-CE2 4.44Å; E2817-Y2851 HydrophobicContact CB-CE1 4.32Å; E2817-Y2851 HydrophobicContact CB-CE2 4.37Å; E2817-Y2851 VanDerWaalsContact CB-OH 3.26Å; E2817-Y2851 WeakPolarHBondContact CB-OH 3.46Å; E2817-Y2851 VanDerWaalsContact CD-OH 3.28Å; E2817-Y2851 HydrophobicContact CG-CE1 4.07Å; E2817-Y2851 VanDerWaalsContact OE1-CE1 3.3Å; E2817-Y2851 WeakPolarHBondContact OE1-CE1 3.47Å; E2817-Y2851 WeakPolarHBondContact OE2-CE1 3.3Å; E2817-Y2851 PolarHBondContact OE2-OH 3.33Å; W2824-Y2851 HydrophobicContact CH2-CG 4.49Å; W2824-Y2851 AromaticContact CZ2-CD1 3.85Å; W2824-Y2851 HydrophobicContact CZ2-CD1 3.85Å; W2824-Y2851 AromaticContact CZ2-CG 3.89Å; W2824-Y2851 HydrophobicContact CZ2-CG 3.89Å; I2826-Y2851 HydrophobicContact CD1-CD2 3.8Å; I2826-Y2851 HydrophobicContact CD1-CE2 4.37Å; I2826-Y2851 HydrophobicContact CD1-CG 4.19Å; Y2851-I2870 CarbonylContact C-O 3.43Å; Y2851-I2870 VanDerWaalsContact CA-O 3.22Å; Y2851-I2870 WeakPolarHBondContact CA-O 3.5Å |
| 2852 | C | 81.6 | Confident | 70.4 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 8% | 0.081 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 153.2 | 166.2 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | I2870 L2912 T2914 | C2852-I2870 PolarHBondContact N-O 3.24Å; C2852-I2870 PolarHBondContact O-N 2.76Å; C2852-L2912 HydrophobicContact CB-CB 4.02Å; C2852-T2914 HydrophobicContact CB-CG2 3.8Å; C2852-T2914 VanDerWaalsContact SG-CG2 3.5Å |
| 2853 | A | 80.7 | Confident | 70 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2802 L2815 Y2868 L2869 | L2802-A2853 HydrophobicContact CD1-CB 4.44Å; L2815-A2853 HydrophobicContact CD1-CB 3.91Å; L2815-A2853 HydrophobicContact CD2-CB 3.63Å; L2815-A2853 HydrophobicContact CG-CB 4.41Å; A2853-Y2868 CarbonylContact C-O 3.59Å; A2853-Y2868 VanDerWaalsContact CA-O 3.26Å; A2853-Y2868 WeakPolarHBondContact CA-O 3.34Å; A2853-L2869 HydrophobicContact CB-CD1 4.08Å |
| 2854 | K | 78 | Confident | 70.1 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 7% | 0.065 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.5 | 179.3 | -171 | 169 | 178.1 | -175.2 | 0 | 111.4 | Y2868 T2914 L2915 D2916 Q2919 L2920 | K2854-Y2868 PolarHBondContact N-O 3.24Å; K2854-Y2868 PolarHBondContact O-N 3.26Å; K2854-T2914 HydrophobicContact CB-CG2 4.21Å; K2854-L2915 PolarHBondContact NZ-O 3.39Å; K2854-D2916 PolarHBondContact NZ-O 3.44Å; K2854-Q2919 PolarHBondContact NZ-O 2.8Å; K2854-L2920 HydrophobicContact CB-CD1 4.34Å; K2854-L2920 HydrophobicContact CD-CD1 4.31Å |
| 2855 | L | 73.8 | Confident | 70.6 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132 | 170.5 | -95.5 | 164.5 | 0 | 0 | 0 | 109.7 | L2802 L2813 T2865 L2866 I2867 | L2802-L2855 HydrophobicContact CB-CD1 3.42Å; L2802-L2855 VanDerWaalsContact CB-CD1 3.42Å; L2802-L2855 HydrophobicContact CB-CG 4.24Å; L2802-L2855 HydrophobicContact CD1-CD1 4.44Å; L2802-L2855 HydrophobicContact CG-CD1 4.5Å; L2813-L2855 HydrophobicContact CB-CD1 4.5Å; L2813-L2855 HydrophobicContact CD1-CD1 4.01Å; L2813-L2855 HydrophobicContact CD1-CD2 4.38Å; L2855-T2865 HydrophobicContact CD2-CG2 3.24Å; L2855-L2866 WeakPolarHBondContact CA-O 3.41Å; L2855-I2867 HydrophobicContact CD2-CD1 4.32Å; L2855-I2867 HydrophobicContact CD2-CG1 3.69Å; L2855-I2867 HydrophobicContact CG-CG1 4.22Å |
| 2856 | L | 69.8 | Low | 70.8 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 113.9 | 171.2 | -82 | 160.9 | 0 | 0 | 0 | 107.9 | L2866 Y2868 D2917 L2920 | L2856-L2866 PolarHBondContact N-O 3.32Å; L2856-L2866 WeakPolarHBondContact O-CB 3.3Å; L2856-L2866 PolarHBondContact O-N 3.02Å; L2856-Y2868 HydrophobicContact CB-CD2 4.38Å; L2856-Y2868 HydrophobicContact CB-CE2 4.26Å; L2856-Y2868 HydrophobicContact CD1-CD2 3.58Å; L2856-Y2868 HydrophobicContact CD1-CE2 3.57Å; L2856-Y2868 HydrophobicContact CG-CD2 4.42Å; L2856-D2917 VanDerWaalsContact CD2-O 3.22Å; L2856-D2917 WeakPolarHBondContact CD2-O 3.5Å; L2856-L2920 HydrophobicContact CD1-CD1 4.09Å |
| 2857 | S | 61.1 | Low | 71.1 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 46% | 0.462 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123 | 171.1 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 2858 | L | 53.1 | Low | 71.4 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | trans | -105.9 | 128.3 | -179.9 | -143.7 | 98.7 | 0 | 0 | 0 | 110.2 | L2866 | L2858-L2866 HydrophobicContact CB-CD1 4.38Å; L2858-L2866 HydrophobicContact CD1-CD1 3.87Å | ||
| 2859 | T | 51.7 | Low | 71.7 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 70 | 150.1 | 157 | 53.6 | 0 | 0 | 0 | 0 | 119.2 | D2861 N2862 | T2859-D2861 PolarHBondContact O-N 3.37Å; T2859-N2862 PolarHBondContact O-N 3.36Å |
| 2860 | K | 57.6 | Low | 71.9 | Confident | 209 Ų | 209 | 45 Ų | 45 | 91% | 0.909 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -15.4 | -172.7 | -74.5 | -179.9 | 174.8 | 179.6 | 0 | 116.3 | ||
| 2861 | D | 57.7 | Low | 72.2 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 68% | 0.684 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -3.6 | -174 | -61.3 | -18.5 | 0 | 0 | 0 | 113.3 | T2859 C2863 | T2859-D2861 PolarHBondContact O-N 3.37Å; D2861-C2863 PolarHBondContact O-N 3.08Å; D2861-C2863 PolarHBondContact O-SG 3.18Å |
| 2862 | N | 57.8 | Low | 72.3 | Confident | 73 Ų | 73 | 43 Ų | 43 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | trans | 53.1 | 8.4 | 175.8 | -83.9 | -7.3 | 0 | 0 | 0 | 116.7 | T2859 N2887 | T2859-N2862 PolarHBondContact O-N 3.36Å; N2862-N2887 PolarHBondContact O-ND2 3.38Å; N2862-N2887 VanDerWaalsContact O-ND2 3.11Å | ||
| 2863 | C | 58.5 | Low | 72.6 | Confident | 87 Ų | 87 | 42.5 Ų | 42.5 | 59% | 0.588 | 23% | 0.234 | S | C | * | . | trans | -78 | -22 | -171 | -71.3 | 0 | 0 | 0 | 0 | 115 | D2861 N2887 | D2861-C2863 PolarHBondContact O-N 3.08Å; D2861-C2863 PolarHBondContact O-SG 3.18Å; C2863-N2887 PolarHBondContact O-N 3.04Å | ||
| 2864 | S | 67.9 | Low | 72.8 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 141.1 | -175.3 | 64.7 | 0 | 0 | 0 | 0 | 113 | I2885 | S2864-I2885 CarbonylContact C-O 3.58Å; S2864-I2885 VanDerWaalsContact CA-O 3.3Å; S2864-I2885 WeakPolarHBondContact CA-O 3.4Å |
| 2865 | T | 72 | Confident | 73.1 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.9 | 179.2 | -46 | 0 | 0 | 0 | 0 | 110.5 | N2804 L2855 I2885 | N2804-T2865 PolarHBondContact ND2-OG1 3.36Å; N2804-T2865 VanDerWaalsContact ND2-OG1 3.13Å; L2855-T2865 HydrophobicContact CD2-CG2 3.24Å; T2865-I2885 PolarHBondContact N-O 3.47Å; T2865-I2885 PolarHBondContact O-N 2.97Å |
| 2866 | L | 77.4 | Confident | 73.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.3 | 179.4 | -65.1 | -179.4 | 0 | 0 | 0 | 111.4 | L2855 L2856 L2858 Y2868 R2882 T2884 | L2855-L2866 WeakPolarHBondContact CA-O 3.41Å; L2856-L2866 PolarHBondContact N-O 3.32Å; L2856-L2866 WeakPolarHBondContact O-CB 3.3Å; L2856-L2866 PolarHBondContact O-N 3.02Å; L2858-L2866 HydrophobicContact CB-CD1 4.38Å; L2858-L2866 HydrophobicContact CD1-CD1 3.87Å; L2866-Y2868 HydrophobicContact CB-CD2 4.44Å; L2866-Y2868 HydrophobicContact CB-CE2 3.95Å; L2866-Y2868 HydrophobicContact CD1-CE2 4.19Å; L2866-R2882 VanDerWaalsContact CD1-NH2 3.34Å; L2866-R2882 HydrophobicContact CD2-CG 4.38Å; L2866-R2882 VanDerWaalsContact CD2-NE 3.28Å; L2866-T2884 HydrophobicContact CD2-CG2 3.18Å |
| 2867 | I | 81.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.7 | 169.4 | -54.7 | -168.8 | 0 | 0 | 0 | 108.6 | L2813 I2828 L2855 R2882 C2883 I2885 W2897 | L2813-I2867 HydrophobicContact CD1-CD1 3.76Å; I2828-I2867 HydrophobicContact CD1-CD1 3.6Å; I2828-I2867 HydrophobicContact CD1-CG2 3.81Å; I2828-I2867 HydrophobicContact CG2-CD1 3.93Å; L2855-I2867 HydrophobicContact CD2-CD1 4.32Å; L2855-I2867 HydrophobicContact CD2-CG1 3.69Å; L2855-I2867 HydrophobicContact CG-CG1 4.22Å; I2867-R2882 CarbonylContact O-C 3.6Å; I2867-R2882 VanDerWaalsContact O-CA 3.26Å; I2867-R2882 WeakPolarHBondContact O-CA 3.31Å; I2867-C2883 PolarHBondContact N-O 3.41Å; I2867-C2883 PolarHBondContact O-N 3.41Å; I2867-I2885 HydrophobicContact CD1-CD1 3.31Å; I2867-I2885 HydrophobicContact CD1-CG1 4.38Å; I2867-I2885 HydrophobicContact CG1-CD1 3.92Å; I2867-W2897 HydrophobicContact CB-CH2 4.41Å; I2867-W2897 HydrophobicContact CG2-CH2 3.89Å; I2867-W2897 HydrophobicContact CG2-CZ3 4.46Å |
| 2868 | Y | 85.1 | Confident | 75.7 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.6 | 167.4 | -70.8 | -90.6 | 0 | 0 | 0 | 109.4 | A2853 K2854 L2856 L2866 V2880 L2881 R2882 V2900 L2920 L2937 | A2853-Y2868 CarbonylContact C-O 3.59Å; A2853-Y2868 VanDerWaalsContact CA-O 3.26Å; A2853-Y2868 WeakPolarHBondContact CA-O 3.34Å; K2854-Y2868 PolarHBondContact N-O 3.24Å; K2854-Y2868 PolarHBondContact O-N 3.26Å; L2856-Y2868 HydrophobicContact CB-CD2 4.38Å; L2856-Y2868 HydrophobicContact CB-CE2 4.26Å; L2856-Y2868 HydrophobicContact CD1-CD2 3.58Å; L2856-Y2868 HydrophobicContact CD1-CE2 3.57Å; L2856-Y2868 HydrophobicContact CG-CD2 4.42Å; L2866-Y2868 HydrophobicContact CB-CD2 4.44Å; L2866-Y2868 HydrophobicContact CB-CE2 3.95Å; L2866-Y2868 HydrophobicContact CD1-CE2 4.19Å; Y2868-V2880 HydrophobicContact CD1-CG1 4.11Å; Y2868-L2881 CarbonylContact C-O 3.55Å; Y2868-L2881 VanDerWaalsContact CA-O 3.27Å; Y2868-L2881 WeakPolarHBondContact CA-O 3.48Å; Y2868-R2882 HydrophobicContact CD1-CB 4.05Å; Y2868-R2882 HydrophobicContact CD1-CG 4.41Å; Y2868-R2882 HydrophobicContact CE1-CB 3.87Å; Y2868-R2882 HydrophobicContact CE1-CG 3.96Å; Y2868-V2900 HydrophobicContact CE1-CG2 4.35Å; Y2868-L2920 HydrophobicContact CD1-CD2 4.37Å; Y2868-L2920 HydrophobicContact CD2-CD1 4.28Å; Y2868-L2920 HydrophobicContact CG-CD1 3.92Å; Y2868-L2937 HydrophobicContact CD1-CD1 3.8Å; Y2868-L2937 HydrophobicContact CE1-CD1 3.16Å |
| 2869 | L | 87 | Confident | 77.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.4 | 173.9 | 174.6 | 64.1 | 0 | 0 | 0 | 107.9 | I2826 F2839 A2853 I2871 L2881 W2897 | I2826-L2869 HydrophobicContact CD1-CD1 3.41Å; I2826-L2869 VanDerWaalsContact CD1-CD1 3.41Å; I2826-L2869 HydrophobicContact CD1-CD2 3.94Å; I2826-L2869 HydrophobicContact CD1-CG 4.28Å; I2826-L2869 HydrophobicContact CG2-CD2 4.49Å; F2839-L2869 HydrophobicContact CB-CD2 4.11Å; F2839-L2869 HydrophobicContact CD1-CD2 3.92Å; F2839-L2869 HydrophobicContact CG-CD2 3.96Å; A2853-L2869 HydrophobicContact CB-CD1 4.08Å; L2869-I2871 HydrophobicContact CD1-CG1 4.38Å; L2869-I2871 HydrophobicContact CD2-CD1 3.91Å; L2869-I2871 HydrophobicContact CD2-CG1 4.26Å; L2869-I2871 HydrophobicContact CG-CD1 4.12Å; L2869-I2871 HydrophobicContact CG-CG1 3.91Å; L2869-L2881 HydrophobicContact CB-CB 4.27Å; L2869-L2881 HydrophobicContact CD2-CD1 4.16Å; L2869-L2881 HydrophobicContact CG-CD1 4.43Å; L2869-L2881 PolarHBondContact N-O 2.79Å; L2869-L2881 WeakPolarHBondContact O-CB 3.4Å; L2869-L2881 PolarHBondContact O-N 2.83Å; L2869-W2897 HydrophobicContact CB-CE3 4.34Å; L2869-W2897 HydrophobicContact CB-CH2 3.71Å; L2869-W2897 HydrophobicContact CB-CZ3 3.44Å; L2869-W2897 VanDerWaalsContact CB-CZ3 3.44Å; L2869-W2897 HydrophobicContact CD2-CH2 4.14Å; L2869-W2897 HydrophobicContact CD2-CZ3 4.25Å |
| 2870 | I | 88.1 | Confident | 79 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.6 | 177.7 | -54.6 | 102.3 | 0 | 0 | 0 | 108.6 | Y2851 C2852 L2878 H2879 V2880 L2912 L2920 I2922 L2936 | Y2851-I2870 CarbonylContact C-O 3.43Å; Y2851-I2870 VanDerWaalsContact CA-O 3.22Å; Y2851-I2870 WeakPolarHBondContact CA-O 3.5Å; C2852-I2870 PolarHBondContact N-O 3.24Å; C2852-I2870 PolarHBondContact O-N 2.76Å; I2870-L2878 HydrophobicContact CG2-CD1 3.46Å; I2870-L2878 VanDerWaalsContact CG2-CD1 3.46Å; I2870-L2878 HydrophobicContact CG2-CD2 4.09Å; I2870-L2878 HydrophobicContact CG2-CG 3.65Å; I2870-H2879 CarbonylContact C-O 3.51Å; I2870-H2879 VanDerWaalsContact CA-O 3.28Å; I2870-H2879 WeakPolarHBondContact CA-O 3.41Å; I2870-V2880 HydrophobicContact CG1-CG1 4.47Å; I2870-V2880 HydrophobicContact CG1-CG2 4.35Å; I2870-L2912 HydrophobicContact CG2-CD1 4.08Å; I2870-L2920 HydrophobicContact CD1-CD1 4.26Å; I2870-L2920 HydrophobicContact CD1-CD2 3.94Å; I2870-L2920 HydrophobicContact CD1-CG 4.28Å; I2870-L2920 HydrophobicContact CG1-CD2 4.11Å; I2870-I2922 HydrophobicContact CB-CD1 3.8Å; I2870-I2922 HydrophobicContact CD1-CD1 3.31Å; I2870-I2922 HydrophobicContact CD1-CG1 4.4Å; I2870-I2922 HydrophobicContact CG1-CD1 3.34Å; I2870-I2922 HydrophobicContact CG2-CD1 3.73Å; I2870-L2936 HydrophobicContact CG1-CD1 4.41Å; I2870-L2936 HydrophobicContact CG2-CD1 4.36Å |
| 2871 | I | 89 | Confident | 80.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.7 | -175.6 | -52.1 | -179 | 0 | 0 | 0 | 108.2 | W2824 F2839 V2848 L2869 T2873 L2878 H2879 L2881 | W2824-I2871 HydrophobicContact CH2-CD1 3.93Å; W2824-I2871 HydrophobicContact CH2-CG1 4.29Å; W2824-I2871 HydrophobicContact CH2-CG2 4.46Å; W2824-I2871 HydrophobicContact CZ3-CD1 3.85Å; F2839-I2871 HydrophobicContact CD1-CD1 3.8Å; F2839-I2871 HydrophobicContact CE1-CD1 3.24Å; F2839-I2871 HydrophobicContact CZ-CD1 3.9Å; V2848-I2871 HydrophobicContact CB-CG2 4.25Å; V2848-I2871 HydrophobicContact CG1-CG2 3.67Å; V2848-I2871 HydrophobicContact CG2-CG2 3.69Å; L2869-I2871 HydrophobicContact CD1-CG1 4.38Å; L2869-I2871 HydrophobicContact CD2-CD1 3.91Å; L2869-I2871 HydrophobicContact CD2-CG1 4.26Å; L2869-I2871 HydrophobicContact CG-CD1 4.12Å; L2869-I2871 HydrophobicContact CG-CG1 3.91Å; I2871-T2873 HydrophobicContact CG2-CG2 4.02Å; I2871-L2878 CarbonylContact O-C 3.42Å; I2871-L2878 WeakPolarHBondContact O-CA 3.3Å; I2871-H2879 HydrophobicContact CB-CB 4.41Å; I2871-H2879 PolarHBondContact N-O 3.38Å; I2871-H2879 PolarHBondContact O-N 3.39Å; I2871-L2881 HydrophobicContact CD1-CD1 3.48Å; I2871-L2881 VanDerWaalsContact CD1-CD1 3.48Å; I2871-L2881 HydrophobicContact CG1-CD1 4.12Å |
| 2872 | A | 89.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T2849 G2850 I2877 L2878 I2909 L2912 | T2849-A2872 PolarHBondContact N-O 3.34Å; T2849-A2872 PolarHBondContact OG1-O 3.27Å; G2850-A2872 PolarHBondContact N-O 3.01Å; G2850-A2872 PolarHBondContact O-N 3.26Å; A2872-I2877 WeakPolarHBondContact CA-O 3.31Å; A2872-L2878 HydrophobicContact CB-CD1 4.11Å; A2872-I2909 HydrophobicContact CB-CB 3.72Å; A2872-I2909 HydrophobicContact CB-CD1 4.41Å; A2872-I2909 HydrophobicContact CB-CG2 3.89Å; A2872-L2912 HydrophobicContact CB-CD1 4Å; A2872-L2912 HydrophobicContact CB-CG 4.5Å |
| 2873 | T | 88.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.8 | -177.8 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | L2841 I2846 K2847 I2871 D2875 N2876 I2877 H2879 | L2841-T2873 HydrophobicContact CD2-CG2 4.38Å; I2846-T2873 VanDerWaalsContact CG2-CB 3.47Å; I2846-T2873 HydrophobicContact CG2-CG2 3.67Å; K2847-T2873 CarbonylContact O-C 3.57Å; K2847-T2873 WeakPolarHBondContact O-CA 3.4Å; I2871-T2873 HydrophobicContact CG2-CG2 4.02Å; T2873-D2875 WeakPolarHBondContact CB-OD1 3.35Å; T2873-D2875 PolarHBondContact O-N 2.87Å; T2873-D2875 VanDerWaalsContact O-N 3.1Å; T2873-D2875 PolarHBondContact OG1-OD1 3.16Å; T2873-N2876 WeakPolarHBondContact O-CA 3.47Å; T2873-N2876 PolarHBondContact O-N 2.73Å; T2873-I2877 PolarHBondContact N-O 3.43Å; T2873-I2877 PolarHBondContact OG1-O 2.89Å; T2873-H2879 PolarHBondContact OG1-CD2 2.87Å; T2873-H2879 PolarHBondContact OG1-NE2 3.25Å |
| 2874 | S | 84 | Confident | 84.1 | Confident | 46 Ų | 46 | 22 Ų | 22 | 32% | 0.322 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.6 | -175.3 | 60.7 | 0 | 0 | 0 | 0 | 115 | K2847 | K2847-S2874 PolarHBondContact N-OG 3.36Å; K2847-S2874 PolarHBondContact O-N 3.18Å; K2847-S2874 PolarHBondContact O-OG 3.01Å |
| 2875 | D | 85.1 | Confident | 84.4 | Confident | 70 Ų | 70 | 20.2 Ų | 20.2 | 37% | 0.374 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 11.6 | 168.7 | 62.2 | -14.9 | 0 | 0 | 0 | 112.7 | T2873 I2877 | T2873-D2875 WeakPolarHBondContact CB-OD1 3.35Å; T2873-D2875 PolarHBondContact O-N 2.87Å; T2873-D2875 VanDerWaalsContact O-N 3.1Å; T2873-D2875 PolarHBondContact OG1-OD1 3.16Å; D2875-I2877 WeakPolarHBondContact OD2-CD1 2.88Å |
| 2876 | N | 86.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 24.9 Ų | 24.9 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 40.8 | -179.4 | -50.4 | -30.9 | 0 | 0 | 0 | 113.4 | T2873 V2905 E2908 | T2873-N2876 WeakPolarHBondContact O-CA 3.47Å; T2873-N2876 PolarHBondContact O-N 2.73Å; N2876-V2905 WeakPolarHBondContact CB-O 3.39Å; N2876-V2905 PolarHBondContact O-N 2.64Å; N2876-E2908 WeakPolarHBondContact OD1-CA 3.25Å; N2876-E2908 WeakPolarHBondContact OD1-CB 3.47Å; N2876-E2908 PolarHBondContact OD1-N 2.97Å |
| 2877 | I | 85.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 26.9 Ų | 26.9 | 22% | 0.221 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.7 | 173.9 | -55.8 | -179.2 | 0 | 0 | 0 | 109.7 | A2872 T2873 D2875 H2879 M2902 | A2872-I2877 WeakPolarHBondContact CA-O 3.31Å; T2873-I2877 PolarHBondContact N-O 3.43Å; T2873-I2877 PolarHBondContact OG1-O 2.89Å; D2875-I2877 WeakPolarHBondContact OD2-CD1 2.88Å; I2877-H2879 WeakPolarHBondContact CG2-NE2 3.33Å; I2877-M2902 HydrophobicContact CG2-CB 3.98Å; I2877-M2902 HydrophobicContact CG2-CG 4.19Å; I2877-M2902 HydrophobicContact CG2-SD 4.36Å |
| 2878 | L | 86.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 104.7 | 170.5 | -168.4 | 74.9 | 0 | 0 | 0 | 109.1 | I2870 I2871 A2872 M2902 Y2903 V2905 I2909 L2912 F2934 L2936 | I2870-L2878 HydrophobicContact CG2-CD1 3.46Å; I2870-L2878 VanDerWaalsContact CG2-CD1 3.46Å; I2870-L2878 HydrophobicContact CG2-CD2 4.09Å; I2870-L2878 HydrophobicContact CG2-CG 3.65Å; I2871-L2878 CarbonylContact O-C 3.42Å; I2871-L2878 WeakPolarHBondContact O-CA 3.3Å; A2872-L2878 HydrophobicContact CB-CD1 4.11Å; L2878-M2902 WeakPolarHBondContact O-CA 3.36Å; L2878-Y2903 PolarHBondContact N-O 2.8Å; L2878-Y2903 PolarHBondContact O-N 3.46Å; L2878-V2905 HydrophobicContact CB-CG2 4.16Å; L2878-I2909 HydrophobicContact CD1-CD1 4.07Å; L2878-L2912 HydrophobicContact CD1-CD1 3.79Å; L2878-L2912 HydrophobicContact CD1-CD2 3.89Å; L2878-L2912 HydrophobicContact CD1-CG 4.5Å; L2878-F2934 HydrophobicContact CD2-CD2 4.24Å; L2878-F2934 HydrophobicContact CD2-CE2 4.49Å; L2878-F2934 HydrophobicContact CD2-CG 4.35Å; L2878-L2936 HydrophobicContact CD2-CD1 3.77Å; L2878-L2936 HydrophobicContact CD2-CD2 4.25Å |
| 2879 | H | 87.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.2 | 178.1 | -64.1 | -95.8 | 0 | 0 | 0 | 110.4 | I2870 I2871 T2873 I2877 Q2899 | I2870-H2879 CarbonylContact C-O 3.51Å; I2870-H2879 VanDerWaalsContact CA-O 3.28Å; I2870-H2879 WeakPolarHBondContact CA-O 3.41Å; I2871-H2879 HydrophobicContact CB-CB 4.41Å; I2871-H2879 PolarHBondContact N-O 3.38Å; I2871-H2879 PolarHBondContact O-N 3.39Å; T2873-H2879 PolarHBondContact OG1-CD2 2.87Å; T2873-H2879 PolarHBondContact OG1-NE2 3.25Å; I2877-H2879 WeakPolarHBondContact CG2-NE2 3.33Å; H2879-Q2899 PolarHBondContact ND1-OE1 3.31Å |
| 2880 | V | 88.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.1 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | Y2868 I2870 Q2899 V2900 A2901 Y2903 L2920 L2936 L2937 | Y2868-V2880 HydrophobicContact CD1-CG1 4.11Å; I2870-V2880 HydrophobicContact CG1-CG1 4.47Å; I2870-V2880 HydrophobicContact CG1-CG2 4.35Å; V2880-Q2899 CarbonylContact O-C 3.6Å; V2880-V2900 HydrophobicContact CG1-CB 4.41Å; V2880-V2900 PolarHBondContact O-N 2.79Å; V2880-A2901 HydrophobicContact CB-CB 4.26Å; V2880-A2901 HydrophobicContact CG2-CB 4.45Å; V2880-A2901 PolarHBondContact N-O 2.86Å; V2880-A2901 PolarHBondContact O-N 3.38Å; V2880-Y2903 HydrophobicContact CG2-CD2 4.14Å; V2880-Y2903 HydrophobicContact CG2-CE2 3.79Å; V2880-L2920 HydrophobicContact CG1-CD2 3.94Å; V2880-L2936 HydrophobicContact CG2-CB 4.41Å; V2880-L2936 HydrophobicContact CG2-CD1 3.55Å; V2880-L2936 HydrophobicContact CG2-CG 4.47Å; V2880-L2937 HydrophobicContact CG1-CD1 4.31Å |
| 2881 | L | 88.3 | Confident | 79.2 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.8 | -178.9 | -59.3 | 157.7 | 0 | 0 | 0 | 109.5 | F2839 Y2868 L2869 I2871 W2897 K2898 Q2899 | F2839-L2881 HydrophobicContact CD1-CD1 4.44Å; F2839-L2881 HydrophobicContact CD2-CD1 4.08Å; F2839-L2881 HydrophobicContact CE1-CD1 3.92Å; F2839-L2881 HydrophobicContact CE2-CD1 3.49Å; F2839-L2881 VanDerWaalsContact CE2-CD1 3.49Å; F2839-L2881 HydrophobicContact CE2-CD2 4.16Å; F2839-L2881 HydrophobicContact CE2-CG 4.46Å; F2839-L2881 HydrophobicContact CZ-CD1 3.4Å; F2839-L2881 VanDerWaalsContact CZ-CD1 3.4Å; Y2868-L2881 CarbonylContact C-O 3.55Å; Y2868-L2881 VanDerWaalsContact CA-O 3.27Å; Y2868-L2881 WeakPolarHBondContact CA-O 3.48Å; L2869-L2881 HydrophobicContact CB-CB 4.27Å; L2869-L2881 HydrophobicContact CD2-CD1 4.16Å; L2869-L2881 HydrophobicContact CG-CD1 4.43Å; L2869-L2881 PolarHBondContact N-O 2.79Å; L2869-L2881 WeakPolarHBondContact O-CB 3.4Å; L2869-L2881 PolarHBondContact O-N 2.83Å; I2871-L2881 HydrophobicContact CD1-CD1 3.48Å; I2871-L2881 VanDerWaalsContact CD1-CD1 3.48Å; I2871-L2881 HydrophobicContact CG1-CD1 4.12Å; L2881-W2897 HydrophobicContact CB-CE3 3.84Å; L2881-W2897 HydrophobicContact CB-CZ3 4.29Å; L2881-K2898 CarbonylContact C-O 3.41Å; L2881-K2898 WeakPolarHBondContact CA-O 3.45Å; L2881-Q2899 HydrophobicContact CD2-CB 3.8Å; L2881-Q2899 HydrophobicContact CD2-CG 4.05Å |
| 2882 | R | 85.9 | Confident | 77.9 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.1 | 179.1 | 176 | -174 | 169.3 | -173.4 | -0.2 | 110.8 | L2866 I2867 Y2868 K2898 V2900 | L2866-R2882 VanDerWaalsContact CD1-NH2 3.34Å; L2866-R2882 HydrophobicContact CD2-CG 4.38Å; L2866-R2882 VanDerWaalsContact CD2-NE 3.28Å; I2867-R2882 CarbonylContact O-C 3.6Å; I2867-R2882 VanDerWaalsContact O-CA 3.26Å; I2867-R2882 WeakPolarHBondContact O-CA 3.31Å; Y2868-R2882 HydrophobicContact CD1-CB 4.05Å; Y2868-R2882 HydrophobicContact CD1-CG 4.41Å; Y2868-R2882 HydrophobicContact CE1-CB 3.87Å; Y2868-R2882 HydrophobicContact CE1-CG 3.96Å; R2882-K2898 PolarHBondContact N-O 3.03Å; R2882-K2898 PolarHBondContact O-N 3.45Å; R2882-V2900 HydrophobicContact CB-CG2 3.32Å; R2882-V2900 HydrophobicContact CG-CG2 4.34Å |
| 2883 | C | 84.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.7 | 169.5 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | I2867 W2897 | I2867-C2883 PolarHBondContact N-O 3.41Å; I2867-C2883 PolarHBondContact O-N 3.41Å; C2883-W2897 HydrophobicContact CB-CD2 3.85Å; C2883-W2897 HydrophobicContact CB-CE3 3.74Å; C2883-W2897 HydrophobicContact CB-CH2 4.01Å; C2883-W2897 HydrophobicContact CB-CZ2 4.09Å; C2883-W2897 HydrophobicContact CB-CZ3 3.82Å |
| 2884 | T | 79 | Confident | 75.4 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.2 | 174.7 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | L2866 | L2866-T2884 HydrophobicContact CD2-CG2 3.18Å |
| 2885 | I | 73.7 | Confident | 74.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.3 | 175.2 | -59.1 | 177.6 | 0 | 0 | 0 | 109.1 | L2813 V2836 S2864 T2865 I2867 I2889 V2892 | L2813-I2885 HydrophobicContact CD1-CD1 4.02Å; V2836-I2885 HydrophobicContact CG1-CD1 3.9Å; V2836-I2885 HydrophobicContact CG1-CG1 4.49Å; V2836-I2885 HydrophobicContact CG1-CG2 4.47Å; S2864-I2885 CarbonylContact C-O 3.58Å; S2864-I2885 VanDerWaalsContact CA-O 3.3Å; S2864-I2885 WeakPolarHBondContact CA-O 3.4Å; T2865-I2885 PolarHBondContact N-O 3.47Å; T2865-I2885 PolarHBondContact O-N 2.97Å; I2867-I2885 HydrophobicContact CD1-CD1 3.31Å; I2867-I2885 HydrophobicContact CD1-CG1 4.38Å; I2867-I2885 HydrophobicContact CG1-CD1 3.92Å; I2885-I2889 HydrophobicContact CG2-CG1 4.45Å; I2885-I2889 HydrophobicContact CG2-CG2 4.13Å; I2885-V2892 HydrophobicContact CG1-CG2 4.37Å |
| 2886 | N | 70.2 | Confident | 73.8 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.3 | 175 | -66.2 | -16.9 | 0 | 0 | 0 | 110.7 | P2888 I2889 | N2886-P2888 CarbonylContact O-C 3.54Å; N2886-P2888 VanDerWaalsContact O-C 3.31Å; N2886-I2889 WeakPolarHBondContact O-CA 3.17Å |
| 2887 | N | 59.8 | Low | 73.7 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 136.9 | 171.8 | -77.7 | -28.9 | 0 | 0 | 0 | 111.7 | L2806 N2862 C2863 | L2806-N2887 WeakPolarHBondContact CD2-ND2 2.99Å; N2862-N2887 PolarHBondContact O-ND2 3.38Å; N2862-N2887 VanDerWaalsContact O-ND2 3.11Å; C2863-N2887 PolarHBondContact O-N 3.04Å |
| 2888 | P | 59.6 | Low | 73.6 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 71% | 0.708 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -66.3 | 152.9 | -5 | 29.2 | -34.9 | 0 | 0 | 0 | 112.1 | N2886 T2890 | N2886-P2888 CarbonylContact O-C 3.54Å; N2886-P2888 VanDerWaalsContact O-C 3.31Å; P2888-T2890 PolarHBondContact O-N 2.84Å |
| 2889 | I | 65.2 | Low | 73.6 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 98.2 | -172.4 | -58.3 | 167.9 | 0 | 0 | 0 | 110.1 | H2811 L2813 N2830 V2836 I2885 N2886 | H2811-I2889 HydrophobicContact CB-CD1 4.23Å; L2813-I2889 HydrophobicContact CD2-CD1 3.91Å; L2813-I2889 HydrophobicContact CD2-CG2 4.13Å; L2813-I2889 HydrophobicContact CG-CD1 4.35Å; N2830-I2889 HydrophobicContact CB-CG2 4.3Å; V2836-I2889 HydrophobicContact CB-CG2 4.43Å; V2836-I2889 HydrophobicContact CG1-CG2 3.86Å; V2836-I2889 HydrophobicContact CG2-CG2 3.61Å; I2885-I2889 HydrophobicContact CG2-CG1 4.45Å; I2885-I2889 HydrophobicContact CG2-CG2 4.13Å; N2886-I2889 WeakPolarHBondContact O-CA 3.17Å |
| 2890 | T | 64.6 | Low | 73.5 | Confident | 80 Ų | 80 | 66.5 Ų | 66.5 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | trans | -94.2 | 153.1 | 171.3 | 53.7 | 0 | 0 | 0 | 0 | 111 | P2888 V2892 | P2888-T2890 PolarHBondContact O-N 2.84Å; T2890-V2892 WeakPolarHBondContact O-CG2 3.06Å; T2890-V2892 PolarHBondContact O-N 2.83Å | ||
| 2891 | V | 63.5 | Low | 73.3 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | trans | -55 | 123.7 | 171.6 | -178 | 0 | 0 | 0 | 0 | 110 | L2835 | L2835-V2891 WeakPolarHBondContact O-CG1 3.24Å; L2835-V2891 WeakPolarHBondContact O-CG2 3.3Å | ||
| 2892 | V | 60.3 | Low | 73.1 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | trans | -107.7 | 121.7 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | V2836 I2885 T2890 Q2896 | V2836-V2892 HydrophobicContact CG1-CG2 4.48Å; V2836-V2892 CarbonylContact O-C 3.59Å; V2836-V2892 WeakPolarHBondContact O-CA 3.42Å; V2836-V2892 PolarHBondContact O-N 2.91Å; I2885-V2892 HydrophobicContact CG1-CG2 4.37Å; T2890-V2892 WeakPolarHBondContact O-CG2 3.06Å; T2890-V2892 PolarHBondContact O-N 2.83Å; V2892-Q2896 HydrophobicContact CG1-CB 3.79Å; V2892-Q2896 HydrophobicContact CG1-CG 3.63Å | ||
| 2893 | N | 62.4 | Low | 72.9 | Confident | 125 Ų | 125 | 69.2 Ų | 69.2 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | trans | -53.1 | 143.2 | 176.8 | -79.4 | -6 | 0 | 0 | 0 | 112.1 | N2895 Q2896 | N2893-N2895 PolarHBondContact O-N 3.1Å; N2893-Q2896 PolarHBondContact O-N 2.83Å | ||
| 2894 | S | 62.5 | Low | 72.7 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -46 | -31.7 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | D2838 Q2896 | D2838-S2894 WeakPolarHBondContact OD1-CB 3.5Å; S2894-Q2896 PolarHBondContact O-N 3.1Å |
| 2895 | N | 62.6 | Low | 72.9 | Confident | 146 Ų | 146 | 72.8 Ų | 72.8 | 78% | 0.781 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -72.9 | 10.3 | -175.5 | -66.8 | -8.7 | 0 | 0 | 0 | 115.8 | N2893 | N2893-N2895 PolarHBondContact O-N 3.1Š|
| 2896 | Q | 73.9 | Confident | 73 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -97.6 | -5.8 | -178 | -70.9 | -74.6 | -18.5 | 0 | 0 | 114.6 | V2892 N2893 S2894 K2898 | V2892-Q2896 HydrophobicContact CG1-CB 3.79Å; V2892-Q2896 HydrophobicContact CG1-CG 3.63Å; N2893-Q2896 PolarHBondContact O-N 2.83Å; S2894-Q2896 PolarHBondContact O-N 3.1Å; Q2896-K2898 PolarHBondContact O-N 2.99Å |
| 2897 | W | 83.9 | Confident | 73.4 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 12% | 0.117 | 42% | 0.417 | C | S | . | . | trans | -67 | 120.9 | 174.7 | -72.3 | 97.6 | 0 | 0 | 0 | 111 | I2828 T2837 D2838 F2839 I2867 L2869 L2881 C2883 | I2828-W2897 HydrophobicContact CD1-CH2 3.78Å; I2828-W2897 HydrophobicContact CD1-CZ2 3.62Å; T2837-W2897 HydrophobicContact CG2-CZ2 4.03Å; T2837-W2897 PolarHBondContact OG1-NE1 3.29Å; D2838-W2897 PolarHBondContact O-NE1 3.26Å; F2839-W2897 HydrophobicContact CB-CD2 4.46Å; F2839-W2897 HydrophobicContact CB-CZ2 4.48Å; F2839-W2897 HydrophobicContact CD2-CB 4.11Å; F2839-W2897 HydrophobicContact CD2-CD2 4.26Å; F2839-W2897 AromaticContact CD2-CG 3.87Å; F2839-W2897 HydrophobicContact CD2-CG 3.87Å; I2867-W2897 HydrophobicContact CB-CH2 4.41Å; I2867-W2897 HydrophobicContact CG2-CH2 3.89Å; I2867-W2897 HydrophobicContact CG2-CZ3 4.46Å; L2869-W2897 HydrophobicContact CB-CE3 4.34Å; L2869-W2897 HydrophobicContact CB-CH2 3.71Å; L2869-W2897 HydrophobicContact CB-CZ3 3.44Å; L2869-W2897 VanDerWaalsContact CB-CZ3 3.44Å; L2869-W2897 HydrophobicContact CD2-CH2 4.14Å; L2869-W2897 HydrophobicContact CD2-CZ3 4.25Å; L2881-W2897 HydrophobicContact CB-CE3 3.84Å; L2881-W2897 HydrophobicContact CB-CZ3 4.29Å; C2883-W2897 HydrophobicContact CB-CD2 3.85Å; C2883-W2897 HydrophobicContact CB-CE3 3.74Å; C2883-W2897 HydrophobicContact CB-CH2 4.01Å; C2883-W2897 HydrophobicContact CB-CZ2 4.09Å; C2883-W2897 HydrophobicContact CB-CZ3 3.82Å | ||
| 2898 | K | 83.8 | Confident | 74.6 | Confident | 148 Ų | 148 | 77.6 Ų | 77.6 | 64% | 0.643 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.9 | 175.5 | -67.7 | -176.1 | -179.2 | 178.8 | 0 | 109.8 | L2881 R2882 Q2896 V2900 | L2881-K2898 CarbonylContact C-O 3.41Å; L2881-K2898 WeakPolarHBondContact CA-O 3.45Å; R2882-K2898 PolarHBondContact N-O 3.03Å; R2882-K2898 PolarHBondContact O-N 3.45Å; Q2896-K2898 PolarHBondContact O-N 2.99Å; K2898-V2900 PolarHBondContact O-N 2.58Å |
| 2899 | Q | 85.8 | Confident | 75.9 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 113.9 | 169.9 | -165.6 | 175.7 | -87.7 | 0 | 0 | 109.6 | H2879 V2880 L2881 M2902 | H2879-Q2899 PolarHBondContact ND1-OE1 3.31Å; V2880-Q2899 CarbonylContact O-C 3.6Å; L2881-Q2899 HydrophobicContact CD2-CB 3.8Å; L2881-Q2899 HydrophobicContact CD2-CG 4.05Å; Q2899-M2902 HydrophobicContact CG-CG 4.31Å; Q2899-M2902 PolarHBondContact NE2-SD 3.16Å |
| 2900 | V | 84.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -38.9 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | Y2868 V2880 R2882 K2898 L2937 | Y2868-V2900 HydrophobicContact CE1-CG2 4.35Å; V2880-V2900 HydrophobicContact CG1-CB 4.41Å; V2880-V2900 PolarHBondContact O-N 2.79Å; R2882-V2900 HydrophobicContact CB-CG2 3.32Å; R2882-V2900 HydrophobicContact CG-CG2 4.34Å; K2898-V2900 PolarHBondContact O-N 2.58Å; V2900-L2937 HydrophobicContact CG1-CD1 4.15Å; V2900-L2937 HydrophobicContact CG1-CD2 4.2Å |
| 2901 | A | 84.1 | Confident | 77.7 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2880 Y2903 | V2880-A2901 HydrophobicContact CB-CB 4.26Å; V2880-A2901 HydrophobicContact CG2-CB 4.45Å; V2880-A2901 PolarHBondContact N-O 2.86Å; V2880-A2901 PolarHBondContact O-N 3.38Å; A2901-Y2903 HydrophobicContact CB-CD2 4.29Å; A2901-Y2903 HydrophobicContact CB-CE2 3.37Å |
| 2902 | M | 84.5 | Confident | 78.8 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 50% | 0.498 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.3 | 168.6 | -71.7 | -176.9 | -65.1 | 0 | 0 | 108.2 | I2877 L2878 Q2899 | I2877-M2902 HydrophobicContact CG2-CB 3.98Å; I2877-M2902 HydrophobicContact CG2-CG 4.19Å; I2877-M2902 HydrophobicContact CG2-SD 4.36Å; L2878-M2902 WeakPolarHBondContact O-CA 3.36Å; Q2899-M2902 HydrophobicContact CG-CG 4.31Å; Q2899-M2902 PolarHBondContact NE2-SD 3.16Å |
| 2903 | Y | 81.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 114.4 | 176.6 | -56.6 | -94.3 | 0 | 0 | 0 | 108.4 | A2585 L2878 V2880 A2901 L2936 | A2585-Y2903 HydrophobicContact CB-CD1 4.26Å; L2878-Y2903 PolarHBondContact N-O 2.8Å; L2878-Y2903 PolarHBondContact O-N 3.46Å; V2880-Y2903 HydrophobicContact CG2-CD2 4.14Å; V2880-Y2903 HydrophobicContact CG2-CE2 3.79Å; A2901-Y2903 HydrophobicContact CB-CD2 4.29Å; A2901-Y2903 HydrophobicContact CB-CE2 3.37Å; Y2903-L2936 HydrophobicContact CD1-CD2 4.26Å; Y2903-L2936 HydrophobicContact CD2-CD2 3.67Å; Y2903-L2936 HydrophobicContact CE1-CD2 4.07Å; Y2903-L2936 HydrophobicContact CE2-CB 4.35Å; Y2903-L2936 HydrophobicContact CE2-CD2 3.5Å; Y2903-L2936 VanDerWaalsContact CE2-CD2 3.5Å; Y2903-L2936 HydrophobicContact CE2-CG 4.34Å; Y2903-L2936 HydrophobicContact CG-CD2 4.07Å; Y2903-L2936 PolarHBondContact OH-O 3.43Å; Y2903-L2936 VanDerWaalsContact OH-O 3.06Å |
| 2904 | P | 81 | Confident | 80.6 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140.6 | 171 | 29.5 | -32.4 | 0 | 0 | 0 | 109.3 | ||
| 2905 | V | 82 | Confident | 81 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | trans | -122.2 | 146.1 | -179.8 | -164.4 | 0 | 0 | 0 | 0 | 107.9 | N2876 L2878 T2907 I2909 F2934 | N2876-V2905 WeakPolarHBondContact CB-O 3.39Å; N2876-V2905 PolarHBondContact O-N 2.64Å; L2878-V2905 HydrophobicContact CB-CG2 4.16Å; V2905-T2907 VanDerWaalsContact C-N 3.28Å; V2905-T2907 PolarHBondContact O-N 3.27Å; V2905-I2909 HydrophobicContact CB-CD1 4.37Å; V2905-I2909 HydrophobicContact CG1-CD1 4.05Å; V2905-I2909 HydrophobicContact CG1-CG1 4.14Å; V2905-I2909 HydrophobicContact CG2-CD1 3.8Å; V2905-F2934 HydrophobicContact CG1-CZ 4.36Å; V2905-F2934 HydrophobicContact CG2-CZ 4.36Å | ||
| 2906 | E | 76.9 | Confident | 81 | Confident | 182 Ų | 182 | 58.8 Ų | 58.8 | 85% | 0.85 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -71.4 | -27.6 | -178.7 | -62.6 | -170.7 | 163 | 0 | 0 | 112.7 | ||
| 2907 | T | 79.1 | Confident | 80.3 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -130.2 | 152.1 | -172.2 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | V2905 I2909 D2926 Q2928 | V2905-T2907 VanDerWaalsContact C-N 3.28Å; V2905-T2907 PolarHBondContact O-N 3.27Å; T2907-I2909 PolarHBondContact O-N 3.11Å; T2907-D2926 WeakPolarHBondContact CB-OD2 3.18Å; T2907-D2926 VanDerWaalsContact OG1-CB 3.3Å; T2907-D2926 WeakPolarHBondContact OG1-CB 3.34Å; T2907-D2926 PolarHBondContact OG1-OD2 2.74Å; T2907-Q2928 HydrophobicContact CG2-CG 4.02Å |
| 2908 | E | 84.2 | Confident | 79.3 | Confident | 52 Ų | 52 | 63.9 Ų | 63.9 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | trans | -65.8 | 113.4 | 177.2 | -171.8 | -177.3 | 179.5 | 0 | 0 | 109.4 | T2849 N2876 T2910 D2926 R2927 | T2849-E2908 HydrophobicContact CG2-CG 3.79Å; T2849-E2908 WeakPolarHBondContact CG2-OE1 3.18Å; N2876-E2908 WeakPolarHBondContact OD1-CA 3.25Å; N2876-E2908 WeakPolarHBondContact OD1-CB 3.47Å; N2876-E2908 PolarHBondContact OD1-N 2.97Å; E2908-T2910 PolarHBondContact O-N 3.49Å; E2908-D2926 WeakPolarHBondContact O-CA 3.36Å; E2908-R2927 HydrophobicContact CB-CB 4.31Å; E2908-R2927 WeakPolarHBondContact O-CB 3.46Å; E2908-R2927 PolarHBondContact O-N 3Å; E2908-R2927 VanDerWaalsContact OE2-CD 3.24Å; E2908-R2927 WeakPolarHBondContact OE2-CD 3.4Å; E2908-R2927 IonicContact OE2-CZ 3.02Å; E2908-R2927 IonicContact OE2-NE 3.72Å; E2908-R2927 IonicContact OE2-NH1 3.13Å; E2908-R2927 PolarHBondContact OE2-NH1 2.99Å | ||
| 2909 | I | 86.5 | Confident | 78.4 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.9 | 175 | -66.7 | 170.3 | 0 | 0 | 0 | 108.7 | T2849 A2872 L2878 V2905 T2907 L2912 A2924 G2925 F2934 | T2849-I2909 CarbonylContact C-O 3.48Å; T2849-I2909 WeakPolarHBondContact CB-O 3.31Å; T2849-I2909 PolarHBondContact OG1-O 3.29Å; A2872-I2909 HydrophobicContact CB-CB 3.72Å; A2872-I2909 HydrophobicContact CB-CD1 4.41Å; A2872-I2909 HydrophobicContact CB-CG2 3.89Å; L2878-I2909 HydrophobicContact CD1-CD1 4.07Å; V2905-I2909 HydrophobicContact CB-CD1 4.37Å; V2905-I2909 HydrophobicContact CG1-CD1 4.05Å; V2905-I2909 HydrophobicContact CG1-CG1 4.14Å; V2905-I2909 HydrophobicContact CG2-CD1 3.8Å; T2907-I2909 PolarHBondContact O-N 3.11Å; I2909-L2912 HydrophobicContact CD1-CD2 4.42Å; I2909-L2912 HydrophobicContact CG2-CD2 3.7Å; I2909-L2912 HydrophobicContact CG2-CG 3.87Å; I2909-A2924 HydrophobicContact CD1-CB 3.67Å; I2909-A2924 HydrophobicContact CG1-CB 3.97Å; I2909-A2924 HydrophobicContact CG2-CB 3.84Å; I2909-G2925 CarbonylContact C-O 3.54Å; I2909-F2934 HydrophobicContact CD1-CE2 4.19Å |
| 2910 | T | 83.8 | Confident | 77.8 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -23.4 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | P2541 I2542 T2849 E2908 G2925 R2927 | P2541-T2910 HydrophobicContact CB-CG2 4.44Å; I2542-T2910 PolarHBondContact O-OG1 2.9Å; T2849-T2910 VanDerWaalsContact O-O 3.13Å; E2908-T2910 PolarHBondContact O-N 3.49Å; T2910-G2925 PolarHBondContact N-O 3.22Å; T2910-G2925 PolarHBondContact OG1-O 3.29Å; T2910-R2927 HydrophobicContact CG2-CB 3.82Å; T2910-R2927 HydrophobicContact CG2-CG 4.29Å |
| 2911 | Q | 84.8 | Confident | 77.4 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.8 | 178.9 | -167.1 | 66.8 | -15.6 | 0 | 0 | 111.7 | I2542 L2545 A2924 G2925 | I2542-Q2911 HydrophobicContact CG2-CB 4.41Å; L2545-Q2911 HydrophobicContact CB-CG 4.24Å; L2545-Q2911 HydrophobicContact CD1-CB 4.08Å; L2545-Q2911 HydrophobicContact CD1-CG 3.97Å; L2545-Q2911 HydrophobicContact CG-CB 4.27Å; L2545-Q2911 HydrophobicContact CG-CG 3.95Å; Q2911-A2924 CarbonylContact O-C 3.31Å; Q2911-A2924 WeakPolarHBondContact O-CA 3.46Å; Q2911-G2925 PolarHBondContact N-O 3.05Å; Q2911-G2925 VanDerWaalsContact N-O 3.15Å; Q2911-G2925 PolarHBondContact O-N 2.9Å |
| 2912 | L | 86 | Confident | 77.2 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.8 | 175.2 | -70.7 | 174 | 0 | 0 | 0 | 110.6 | C2852 I2870 A2872 L2878 I2909 I2922 L2923 A2924 | C2852-L2912 HydrophobicContact CB-CB 4.02Å; I2870-L2912 HydrophobicContact CG2-CD1 4.08Å; A2872-L2912 HydrophobicContact CB-CD1 4Å; A2872-L2912 HydrophobicContact CB-CG 4.5Å; L2878-L2912 HydrophobicContact CD1-CD1 3.79Å; L2878-L2912 HydrophobicContact CD1-CD2 3.89Å; L2878-L2912 HydrophobicContact CD1-CG 4.5Å; I2909-L2912 HydrophobicContact CD1-CD2 4.42Å; I2909-L2912 HydrophobicContact CG2-CD2 3.7Å; I2909-L2912 HydrophobicContact CG2-CG 3.87Å; L2912-I2922 HydrophobicContact CD2-CG2 3.79Å; L2912-L2923 CarbonylContact C-O 3.59Å; L2912-L2923 WeakPolarHBondContact CA-O 3.39Å; L2912-A2924 HydrophobicContact CD2-CB 3.63Å |
| 2913 | Y | 82.4 | Confident | 77 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 28% | 0.282 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 126.8 | 177.6 | -167.6 | -85.8 | 0 | 0 | 0 | 110.9 | L2545 Q2547 I2922 L2923 | L2545-Y2913 HydrophobicContact CB-CD2 4.32Å; L2545-Y2913 HydrophobicContact CB-CG 4.32Å; L2545-Y2913 WeakPolarHBondContact O-CD2 3.49Å; Q2547-Y2913 HydrophobicContact CB-CD1 4.39Å; Q2547-Y2913 HydrophobicContact CB-CE1 3.51Å; Y2913-I2922 WeakPolarHBondContact O-CA 3.13Å; Y2913-L2923 PolarHBondContact N-O 3.47Å; Y2913-L2923 PolarHBondContact O-N 2.99Å |
| 2914 | T | 77.9 | Confident | 77.1 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.3 | -179.7 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | C2852 K2854 | C2852-T2914 HydrophobicContact CB-CG2 3.8Å; C2852-T2914 VanDerWaalsContact SG-CG2 3.5Å; K2854-T2914 HydrophobicContact CB-CG2 4.21Å |
| 2915 | L | 70.6 | Confident | 77.3 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | trans | -100.5 | 169.2 | 174.6 | -66.6 | 170.7 | 0 | 0 | 0 | 111.7 | Q2547 K2854 K2921 L2923 Y2933 | Q2547-L2915 HydrophobicContact CB-CD2 4.46Å; Q2547-L2915 HydrophobicContact CG-CD2 3.94Å; Q2547-L2915 VanDerWaalsContact NE2-CD2 3.29Å; K2854-L2915 PolarHBondContact NZ-O 3.39Å; L2915-K2921 HydrophobicContact CB-CB 3.75Å; L2915-K2921 HydrophobicContact CD1-CB 4.31Å; L2915-K2921 PolarHBondContact N-O 3.26Å; L2915-L2923 HydrophobicContact CD1-CD1 3.75Å; L2915-L2923 HydrophobicContact CD1-CD2 4.46Å; L2915-L2923 HydrophobicContact CD1-CG 3.69Å; L2915-L2923 HydrophobicContact CD2-CD1 3.66Å; L2915-L2923 HydrophobicContact CD2-CG 4.47Å; L2915-L2923 HydrophobicContact CG-CD1 3.84Å; L2915-L2923 HydrophobicContact CG-CG 4.13Å; L2915-Y2933 HydrophobicContact CD1-CD2 3.8Å; L2915-Y2933 HydrophobicContact CD1-CE2 3.49Å; L2915-Y2933 VanDerWaalsContact CD1-CE2 3.49Å | ||
| 2916 | D | 63.1 | Low | 77.4 | Confident | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -27.9 | 155.9 | -169.7 | -104.8 | -28.1 | 0 | 0 | 0 | 121.8 | K2549 K2854 S2918 | K2549-D2916 WeakPolarHBondContact CE-OD1 3.44Å; K2549-D2916 IonicContact NZ-OD1 3.86Å; K2549-D2916 PolarHBondContact NZ-OD1 3.43Å; K2854-D2916 PolarHBondContact NZ-O 3.44Å; D2916-S2918 PolarHBondContact O-N 3.3Å | ||
| 2917 | D | 59.6 | Low | 77.6 | Confident | 123 Ų | 123 | 40.9 Ų | 40.9 | 66% | 0.658 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.9 | -156.5 | -62.2 | -25.8 | 0 | 0 | 0 | 118 | L2856 | L2856-D2917 VanDerWaalsContact CD2-O 3.22Å; L2856-D2917 WeakPolarHBondContact CD2-O 3.5Å |
| 2918 | S | 61.9 | Low | 77.4 | Confident | 103 Ų | 103 | 45.1 Ų | 45.1 | 72% | 0.72 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -25.3 | -169.5 | 70.5 | 0 | 0 | 0 | 0 | 115.4 | D2916 | D2916-S2918 PolarHBondContact O-N 3.3Š|
| 2919 | Q | 66.6 | Low | 76.9 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -136.8 | 157.6 | -177.2 | -77.1 | -176.5 | -24.6 | 0 | 0 | 110.8 | K2854 K2921 | K2854-Q2919 PolarHBondContact NZ-O 2.8Å; Q2919-K2921 VanDerWaalsContact C-N 3.27Å; Q2919-K2921 HydrophobicContact CB-CD 4.45Å; Q2919-K2921 HydrophobicContact CB-CG 4.14Å; Q2919-K2921 PolarHBondContact O-N 3.32Å; Q2919-K2921 VanDerWaalsContact OE1-CE 3.32Å |
| 2920 | L | 72.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -82.3 | 78.1 | 176.6 | -155.3 | 86.5 | 0 | 0 | 0 | 109.6 | K2854 L2856 Y2868 I2870 V2880 L2936 L2937 | K2854-L2920 HydrophobicContact CB-CD1 4.34Å; K2854-L2920 HydrophobicContact CD-CD1 4.31Å; L2856-L2920 HydrophobicContact CD1-CD1 4.09Å; Y2868-L2920 HydrophobicContact CD1-CD2 4.37Å; Y2868-L2920 HydrophobicContact CD2-CD1 4.28Å; Y2868-L2920 HydrophobicContact CG-CD1 3.92Å; I2870-L2920 HydrophobicContact CD1-CD1 4.26Å; I2870-L2920 HydrophobicContact CD1-CD2 3.94Å; I2870-L2920 HydrophobicContact CD1-CG 4.28Å; I2870-L2920 HydrophobicContact CG1-CD2 4.11Å; V2880-L2920 HydrophobicContact CG1-CD2 3.94Å; L2920-L2936 HydrophobicContact CD2-CB 3.89Å; L2920-L2936 HydrophobicContact CD2-CD1 4.28Å; L2920-L2936 PolarHBondContact O-N 2.93Å; L2920-L2937 HydrophobicContact CB-CB 3.9Å; L2920-L2937 HydrophobicContact CD2-CD1 4.25Å; L2920-L2937 PolarHBondContact N-O 2.84Å | ||
| 2921 | K | 76.4 | Confident | 76.4 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.4 | 177.1 | -67.6 | 173.4 | 173.9 | -177.2 | 0 | 110.1 | L2915 Q2919 Y2933 F2934 V2935 | L2915-K2921 HydrophobicContact CB-CB 3.75Å; L2915-K2921 HydrophobicContact CD1-CB 4.31Å; L2915-K2921 PolarHBondContact N-O 3.26Å; Q2919-K2921 VanDerWaalsContact C-N 3.27Å; Q2919-K2921 HydrophobicContact CB-CD 4.45Å; Q2919-K2921 HydrophobicContact CB-CG 4.14Å; Q2919-K2921 PolarHBondContact O-N 3.32Å; Q2919-K2921 VanDerWaalsContact OE1-CE 3.32Å; K2921-Y2933 HydrophobicContact CB-CE2 4.19Å; K2921-Y2933 WeakPolarHBondContact CD-OH 3.39Å; K2921-Y2933 VanDerWaalsContact CE-OH 3.3Å; K2921-Y2933 WeakPolarHBondContact CE-OH 3.32Å; K2921-Y2933 HydrophobicContact CG-CE2 4.47Å; K2921-Y2933 WeakPolarHBondContact CG-OH 3.46Å; K2921-F2934 CarbonylContact C-O 3.5Å; K2921-F2934 WeakPolarHBondContact CA-O 3.15Å; K2921-V2935 HydrophobicContact CG-CG2 4.36Å |
| 2922 | I | 79.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.1 | -174.8 | -53.9 | -176.4 | 0 | 0 | 0 | 110.2 | I2870 L2912 Y2913 Y2933 F2934 L2936 | I2870-I2922 HydrophobicContact CB-CD1 3.8Å; I2870-I2922 HydrophobicContact CD1-CD1 3.31Å; I2870-I2922 HydrophobicContact CD1-CG1 4.4Å; I2870-I2922 HydrophobicContact CG1-CD1 3.34Å; I2870-I2922 HydrophobicContact CG2-CD1 3.73Å; L2912-I2922 HydrophobicContact CD2-CG2 3.79Å; Y2913-I2922 WeakPolarHBondContact O-CA 3.13Å; I2922-Y2933 WeakPolarHBondContact O-CA 3.28Å; I2922-F2934 HydrophobicContact CB-CB 4.48Å; I2922-F2934 PolarHBondContact N-O 3.33Å; I2922-F2934 PolarHBondContact O-N 3.02Å; I2922-L2936 HydrophobicContact CD1-CD1 3.39Å; I2922-L2936 HydrophobicContact CD1-CG 4.34Å; I2922-L2936 HydrophobicContact CG1-CD1 4.2Å |
| 2923 | L | 81 | Confident | 75.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.3 | 164.1 | -73.1 | 157.7 | 0 | 0 | 0 | 109.1 | L2545 C2557 W2591 L2912 Y2913 L2915 I2931 H2932 Y2933 | L2545-L2923 HydrophobicContact CD1-CB 4.41Å; C2557-L2923 HydrophobicContact CB-CD1 3.97Å; C2557-L2923 WeakPolarHBondContact SG-CD1 3.13Å; W2591-L2923 HydrophobicContact CH2-CD2 4.09Å; W2591-L2923 HydrophobicContact CZ2-CD2 3.57Å; L2912-L2923 CarbonylContact C-O 3.59Å; L2912-L2923 WeakPolarHBondContact CA-O 3.39Å; Y2913-L2923 PolarHBondContact N-O 3.47Å; Y2913-L2923 PolarHBondContact O-N 2.99Å; L2915-L2923 HydrophobicContact CD1-CD1 3.75Å; L2915-L2923 HydrophobicContact CD1-CD2 4.46Å; L2915-L2923 HydrophobicContact CD1-CG 3.69Å; L2915-L2923 HydrophobicContact CD2-CD1 3.66Å; L2915-L2923 HydrophobicContact CD2-CG 4.47Å; L2915-L2923 HydrophobicContact CG-CD1 3.84Å; L2915-L2923 HydrophobicContact CG-CG 4.13Å; L2923-I2931 HydrophobicContact CD2-CG2 3.69Å; L2923-H2932 WeakPolarHBondContact CA-O 3.49Å; L2923-Y2933 HydrophobicContact CD2-CD2 4.28Å |
| 2924 | A | 84.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I2909 Q2911 L2912 I2931 H2932 F2934 | I2909-A2924 HydrophobicContact CD1-CB 3.67Å; I2909-A2924 HydrophobicContact CG1-CB 3.97Å; I2909-A2924 HydrophobicContact CG2-CB 3.84Å; Q2911-A2924 CarbonylContact O-C 3.31Å; Q2911-A2924 WeakPolarHBondContact O-CA 3.46Å; L2912-A2924 HydrophobicContact CD2-CB 3.63Å; A2924-I2931 WeakPolarHBondContact O-CA 3.33Å; A2924-H2932 HydrophobicContact CB-CB 4.28Å; A2924-H2932 PolarHBondContact N-O 3.43Å; A2924-H2932 PolarHBondContact O-N 3.46Å; A2924-F2934 HydrophobicContact CB-CD2 4.03Å; A2924-F2934 HydrophobicContact CB-CE2 3.68Å |
| 2925 | G | 83.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I2542 I2909 T2910 Q2911 | I2542-G2925 VanDerWaalsContact CD1-CA 3.43Å; I2909-G2925 CarbonylContact C-O 3.54Å; T2910-G2925 PolarHBondContact N-O 3.22Å; T2910-G2925 PolarHBondContact OG1-O 3.29Å; Q2911-G2925 PolarHBondContact N-O 3.05Å; Q2911-G2925 VanDerWaalsContact N-O 3.15Å; Q2911-G2925 PolarHBondContact O-N 2.9Å |
| 2926 | D | 83.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 172 | 179 | 78.3 | 14.6 | 0 | 0 | 0 | 113.7 | I2542 T2907 E2908 Q2928 G2929 Q2930 H2932 | I2542-D2926 PolarHBondContact N-O 3.24Å; T2907-D2926 WeakPolarHBondContact CB-OD2 3.18Å; T2907-D2926 VanDerWaalsContact OG1-CB 3.3Å; T2907-D2926 WeakPolarHBondContact OG1-CB 3.34Å; T2907-D2926 PolarHBondContact OG1-OD2 2.74Å; E2908-D2926 WeakPolarHBondContact O-CA 3.36Å; D2926-Q2928 PolarHBondContact O-N 3.45Å; D2926-Q2928 VanDerWaalsContact OD1-CA 3.31Å; D2926-Q2928 WeakPolarHBondContact OD1-CA 3.4Å; D2926-Q2928 WeakPolarHBondContact OD1-CB 3.25Å; D2926-Q2928 PolarHBondContact OD1-N 3.38Å; D2926-G2929 PolarHBondContact O-N 3Å; D2926-G2929 PolarHBondContact OD1-N 3.29Å; D2926-Q2930 PolarHBondContact N-O 3.33Å; D2926-Q2930 PolarHBondContact OD1-N 3.49Å; D2926-H2932 IonicContact OD2-CD2 3.68Å; D2926-H2932 IonicContact OD2-CE1 2.79Å; D2926-H2932 IonicContact OD2-NE2 2.74Å; D2926-H2932 PolarHBondContact OD2-NE2 3.3Å |
| 2927 | R | 81 | Confident | 75.2 | Confident | 146 Ų | 146 | 46.9 Ų | 46.9 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.2 | 178.3 | -166.3 | 174.2 | 176 | 174.9 | 2 | 113.6 | P2541 E2908 T2910 | P2541-R2927 HydrophobicContact CB-CG 4.43Å; P2541-R2927 HydrophobicContact CG-CG 3.95Å; E2908-R2927 HydrophobicContact CB-CB 4.31Å; E2908-R2927 WeakPolarHBondContact O-CB 3.46Å; E2908-R2927 PolarHBondContact O-N 3Å; E2908-R2927 VanDerWaalsContact OE2-CD 3.24Å; E2908-R2927 WeakPolarHBondContact OE2-CD 3.4Å; E2908-R2927 IonicContact OE2-CZ 3.02Å; E2908-R2927 IonicContact OE2-NE 3.72Å; E2908-R2927 IonicContact OE2-NH1 3.13Å; E2908-R2927 PolarHBondContact OE2-NH1 2.99Å; T2910-R2927 HydrophobicContact CG2-CB 3.82Å; T2910-R2927 HydrophobicContact CG2-CG 4.29Å |
| 2928 | Q | 75.8 | Confident | 76 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.7 | 179 | -59.3 | -166.3 | 10.5 | 0 | 0 | 112.9 | T2907 D2926 | T2907-Q2928 HydrophobicContact CG2-CG 4.02Å; D2926-Q2928 PolarHBondContact O-N 3.45Å; D2926-Q2928 VanDerWaalsContact OD1-CA 3.31Å; D2926-Q2928 WeakPolarHBondContact OD1-CA 3.4Å; D2926-Q2928 WeakPolarHBondContact OD1-CB 3.25Å; D2926-Q2928 PolarHBondContact OD1-N 3.38Å |
| 2929 | G | 74.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 91.6 | 14 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H2538 G2540 D2926 | H2538-G2929 PolarHBondContact N-O 3.36Å; G2540-G2929 WeakPolarHBondContact O-CA 3.44Å; G2540-G2929 PolarHBondContact O-N 2.99Å; D2926-G2929 PolarHBondContact O-N 3Å; D2926-G2929 PolarHBondContact OD1-N 3.29Å |
| 2930 | Q | 79.7 | Confident | 77.3 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | trans | -92.8 | 151.8 | 175.6 | -59 | -176.6 | -2.6 | 0 | 0 | 111.3 | Q2537 I2542 D2926 | Q2537-Q2930 HydrophobicContact CB-CG 4.14Å; Q2537-Q2930 VanDerWaalsContact OE1-CG 3.27Å; I2542-Q2930 WeakPolarHBondContact CD1-O 3.48Å; D2926-Q2930 PolarHBondContact N-O 3.33Å; D2926-Q2930 PolarHBondContact OD1-N 3.49Å | ||
| 2931 | I | 78.3 | Confident | 77.6 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.1 | 174.5 | -61 | -170.7 | 0 | 0 | 0 | 109.2 | I2542 L2545 W2569 L2923 A2924 | I2542-I2931 HydrophobicContact CD1-CG1 3.76Å; L2545-I2931 HydrophobicContact CD2-CD1 4.34Å; W2569-I2931 VanDerWaalsContact CD1-CD1 3.45Å; W2569-I2931 HydrophobicContact CD2-CD1 3.83Å; W2569-I2931 HydrophobicContact CG-CD1 3.9Å; W2569-I2931 HydrophobicContact CZ2-CD1 3.79Å; W2569-I2931 HydrophobicContact CZ2-CG1 4.13Å; L2923-I2931 HydrophobicContact CD2-CG2 3.69Å; A2924-I2931 WeakPolarHBondContact O-CA 3.33Å |
| 2932 | H | 80.2 | Confident | 77.6 | Confident | 43 Ų | 43 | 38.5 Ų | 38.5 | 20% | 0.199 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.8 | 175.8 | -55.7 | -81.8 | 0 | 0 | 0 | 109.4 | L2923 A2924 D2926 F2934 | L2923-H2932 WeakPolarHBondContact CA-O 3.49Å; A2924-H2932 HydrophobicContact CB-CB 4.28Å; A2924-H2932 PolarHBondContact N-O 3.43Å; A2924-H2932 PolarHBondContact O-N 3.46Å; D2926-H2932 IonicContact OD2-CD2 3.68Å; D2926-H2932 IonicContact OD2-CE1 2.79Å; D2926-H2932 IonicContact OD2-NE2 2.74Å; D2926-H2932 PolarHBondContact OD2-NE2 3.3Å; H2932-F2934 HydrophobicContact CB-CD2 4.29Å; H2932-F2934 HydrophobicContact CB-CE2 3.54Å; H2932-F2934 HydrophobicContact CB-CZ 3.85Å |
| 2933 | Y | 77.1 | Confident | 77.5 | Confident | 44 Ų | 44 | 41 Ų | 41 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.8 | 176.6 | 170.9 | -95 | 0 | 0 | 0 | 109.8 | V2589 W2591 L2915 K2921 I2922 L2923 V2935 | V2589-Y2933 HydrophobicContact CB-CD1 4.46Å; V2589-Y2933 HydrophobicContact CG2-CD1 4.48Å; W2591-Y2933 AromaticContact CZ2-CD2 3.88Å; W2591-Y2933 HydrophobicContact CZ2-CD2 3.88Å; W2591-Y2933 HydrophobicContact CZ2-CG 4.27Å; W2591-Y2933 AromaticContact NE1-CG 3.94Å; L2915-Y2933 HydrophobicContact CD1-CD2 3.8Å; L2915-Y2933 HydrophobicContact CD1-CE2 3.49Å; L2915-Y2933 VanDerWaalsContact CD1-CE2 3.49Å; K2921-Y2933 HydrophobicContact CB-CE2 4.19Å; K2921-Y2933 WeakPolarHBondContact CD-OH 3.39Å; K2921-Y2933 VanDerWaalsContact CE-OH 3.3Å; K2921-Y2933 WeakPolarHBondContact CE-OH 3.32Å; K2921-Y2933 HydrophobicContact CG-CE2 4.47Å; K2921-Y2933 WeakPolarHBondContact CG-OH 3.46Å; I2922-Y2933 WeakPolarHBondContact O-CA 3.28Å; L2923-Y2933 HydrophobicContact CD2-CD2 4.28Å; Y2933-V2935 HydrophobicContact CD1-CG2 4.24Å; Y2933-V2935 HydrophobicContact CE1-CG2 3.32Å |
| 2934 | F | 76.2 | Confident | 77.3 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.7 | -176.3 | -64.8 | -75.8 | 0 | 0 | 0 | 110.3 | L2878 V2905 I2909 K2921 I2922 A2924 H2932 L2936 | L2878-F2934 HydrophobicContact CD2-CD2 4.24Å; L2878-F2934 HydrophobicContact CD2-CE2 4.49Å; L2878-F2934 HydrophobicContact CD2-CG 4.35Å; V2905-F2934 HydrophobicContact CG1-CZ 4.36Å; V2905-F2934 HydrophobicContact CG2-CZ 4.36Å; I2909-F2934 HydrophobicContact CD1-CE2 4.19Å; K2921-F2934 CarbonylContact C-O 3.5Å; K2921-F2934 WeakPolarHBondContact CA-O 3.15Å; I2922-F2934 HydrophobicContact CB-CB 4.48Å; I2922-F2934 PolarHBondContact N-O 3.33Å; I2922-F2934 PolarHBondContact O-N 3.02Å; A2924-F2934 HydrophobicContact CB-CD2 4.03Å; A2924-F2934 HydrophobicContact CB-CE2 3.68Å; H2932-F2934 HydrophobicContact CB-CD2 4.29Å; H2932-F2934 HydrophobicContact CB-CE2 3.54Å; H2932-F2934 HydrophobicContact CB-CZ 3.85Å; F2934-L2936 HydrophobicContact CB-CD1 4.48Å; F2934-L2936 HydrophobicContact CB-CD2 3.6Å; F2934-L2936 HydrophobicContact CB-CG 3.9Å; F2934-L2936 HydrophobicContact CD1-CD2 4.33Å; F2934-L2936 HydrophobicContact CG-CD2 4.24Å |
| 2935 | V | 72.4 | Confident | 76.7 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 97.9 | 165.6 | -173.4 | 0 | 0 | 0 | 0 | 106.5 | K2921 Y2933 | K2921-V2935 HydrophobicContact CG-CG2 4.36Å; Y2933-V2935 HydrophobicContact CD1-CG2 4.24Å; Y2933-V2935 HydrophobicContact CE1-CG2 3.32Å |
| 2936 | L | 69.7 | Low | 76.1 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | trans | -89.9 | -35.8 | -167.7 | -60.3 | -175.5 | 0 | 0 | 0 | 112.4 | I2870 L2878 V2880 Y2903 L2920 I2922 F2934 | I2870-L2936 HydrophobicContact CG1-CD1 4.41Å; I2870-L2936 HydrophobicContact CG2-CD1 4.36Å; L2878-L2936 HydrophobicContact CD2-CD1 3.77Å; L2878-L2936 HydrophobicContact CD2-CD2 4.25Å; V2880-L2936 HydrophobicContact CG2-CB 4.41Å; V2880-L2936 HydrophobicContact CG2-CD1 3.55Å; V2880-L2936 HydrophobicContact CG2-CG 4.47Å; Y2903-L2936 HydrophobicContact CD1-CD2 4.26Å; Y2903-L2936 HydrophobicContact CD2-CD2 3.67Å; Y2903-L2936 HydrophobicContact CE1-CD2 4.07Å; Y2903-L2936 HydrophobicContact CE2-CB 4.35Å; Y2903-L2936 HydrophobicContact CE2-CD2 3.5Å; Y2903-L2936 VanDerWaalsContact CE2-CD2 3.5Å; Y2903-L2936 HydrophobicContact CE2-CG 4.34Å; Y2903-L2936 HydrophobicContact CG-CD2 4.07Å; Y2903-L2936 PolarHBondContact OH-O 3.43Å; Y2903-L2936 VanDerWaalsContact OH-O 3.06Å; L2920-L2936 HydrophobicContact CD2-CB 3.89Å; L2920-L2936 HydrophobicContact CD2-CD1 4.28Å; L2920-L2936 PolarHBondContact O-N 2.93Å; I2922-L2936 HydrophobicContact CD1-CD1 3.39Å; I2922-L2936 HydrophobicContact CD1-CG 4.34Å; I2922-L2936 HydrophobicContact CG1-CD1 4.2Å; F2934-L2936 HydrophobicContact CB-CD1 4.48Å; F2934-L2936 HydrophobicContact CB-CD2 3.6Å; F2934-L2936 HydrophobicContact CB-CG 3.9Å; F2934-L2936 HydrophobicContact CD1-CD2 4.33Å; F2934-L2936 HydrophobicContact CG-CD2 4.24Å | ||
| 2937 | L | 64.7 | Low | 75.5 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | trans | -146.1 | 0 | -179.3 | -66.7 | 172.2 | 0 | 0 | 0 | 112.4 | Y2868 V2880 V2900 L2920 | Y2868-L2937 HydrophobicContact CD1-CD1 3.8Å; Y2868-L2937 HydrophobicContact CE1-CD1 3.16Å; V2880-L2937 HydrophobicContact CG1-CD1 4.31Å; V2900-L2937 HydrophobicContact CG1-CD1 4.15Å; V2900-L2937 HydrophobicContact CG1-CD2 4.2Å; L2920-L2937 HydrophobicContact CB-CB 3.9Å; L2920-L2937 HydrophobicContact CD2-CD1 4.25Å; L2920-L2937 PolarHBondContact N-O 2.84Å |
Retrieved 2,937 of 2,937 residues in 3411.5 ms
(Link to these results)