| 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 | 31.8 | Very low | 52.3 | Low | 247 Ų | 247 | 126.4 Ų | 126.4 | 100% | 1.217 | 71% | 0.711 | S | S | * | * | 0 | 100.2 | 0 | -69.7 | -162.9 | -95.1 | 0 | 0 | 105.8 | |||||
| 2 | A | 31.8 | Very low | 53.4 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -106.2 | 122 | 176.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | S4 | A2-S4 PolarHBondContact O-N 3.26Å; A2-S4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | D | 36.6 | Very low | 54.3 | Low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | trans | -61 | 107 | -178.7 | -68.5 | -43.8 | 0 | 0 | 0 | 110.4 | T5 | D3-T5 PolarHBondContact O-N 3.49Š| ||
| 4 | S | 39.2 | Very low | 54.9 | Low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | trans | -89.8 | 89.8 | 161 | 66 | 0 | 0 | 0 | 0 | 107.5 | A2 N6 | A2-S4 PolarHBondContact O-N 3.26Å; A2-S4 VanDerWaalsContact O-N 3.11Å; S4-N6 VanDerWaalsContact C-N 3.25Å; S4-N6 PolarHBondContact O-N 3.14Å | ||
| 5 | T | 46.5 | Very low | 55.8 | Low | 131 Ų | 131 | 121.5 Ų | 121.5 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -70 | 86.7 | 167.3 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | D3 | D3-T5 PolarHBondContact O-N 3.49Š| ||
| 6 | N | 54.3 | Low | 55.5 | Low | 136 Ų | 136 | 123.2 Ų | 123.2 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.3 | 163.8 | -81.3 | -22.9 | 0 | 0 | 0 | 107.7 | S4 | S4-N6 VanDerWaalsContact C-N 3.25Å; S4-N6 PolarHBondContact O-N 3.14Å |
| 7 | P | 59.8 | Low | 54.7 | Low | 77 Ų | 77 | 124.8 Ų | 124.8 | 50% | 0.5 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 142.7 | 179.5 | 23.9 | -32 | 0 | 0 | 0 | 110 | E11 I12 | P7-E11 HydrophobicContact CB-CB 4.3Å; P7-I12 HydrophobicContact CB-CG1 4.03Å; P7-I12 HydrophobicContact CG-CD1 4.17Å; P7-I12 HydrophobicContact CG-CG1 3.94Å |
| 8 | T | 72.7 | Confident | 53.9 | Low | 76 Ų | 76 | 127.6 Ų | 127.6 | 47% | 0.466 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -68 | 156 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | Y10 E11 I12 | T8-Y10 PolarHBondContact O-N 3.48Å; T8-Y10 VanDerWaalsContact O-N 3.14Å; T8-E11 PolarHBondContact N-OE2 3.11Å; T8-E11 PolarHBondContact O-N 3.04Å; T8-E11 VanDerWaalsContact OG1-CG 3.29Å; T8-E11 WeakPolarHBondContact OG1-CG 3.45Å; T8-E11 PolarHBondContact OG1-N 2.88Å; T8-E11 PolarHBondContact OG1-OE2 3.42Å; T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.02Å |
| 9 | V | 62.9 | Low | 52.8 | Low | 108 Ų | 108 | 123.8 Ų | 123.8 | 66% | 0.655 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -55.1 | -34.4 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | F13 | V9-F13 HydrophobicContact CG1-CD2 3.99Å; V9-F13 HydrophobicContact CG1-CE2 4.21Å; V9-F13 WeakPolarHBondContact O-CD2 3.28Å; V9-F13 PolarHBondContact O-N 2.81Å; V9-F13 VanDerWaalsContact O-N 3.11Å |
| 10 | Y | 73.2 | Confident | 51.9 | Low | 159 Ų | 159 | 124 Ų | 124 | 62% | 0.624 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.1 | -47.6 | 175 | -179.6 | -91.4 | 0 | 0 | 0 | 112.2 | T8 I12 F13 E14 | T8-Y10 PolarHBondContact O-N 3.48Å; T8-Y10 VanDerWaalsContact O-N 3.14Å; Y10-I12 VanDerWaalsContact C-N 3.33Å; Y10-I12 PolarHBondContact O-N 3.44Å; Y10-F13 PolarHBondContact O-N 2.91Å; Y10-E14 HydrophobicContact CE1-CG 4.28Å; Y10-E14 PolarHBondContact O-N 3.47Å; Y10-E14 PolarHBondContact OH-OE1 2.97Å |
| 11 | E | 66.3 | Low | 51.2 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 46% | 0.458 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -66.2 | -34 | 179.3 | -70.8 | 161.9 | 157.1 | 0 | 0 | 112.4 | P7 T8 E14 S15 | P7-E11 HydrophobicContact CB-CB 4.3Å; T8-E11 PolarHBondContact N-OE2 3.11Å; T8-E11 PolarHBondContact O-N 3.04Å; T8-E11 VanDerWaalsContact OG1-CG 3.29Å; T8-E11 WeakPolarHBondContact OG1-CG 3.45Å; T8-E11 PolarHBondContact OG1-N 2.88Å; T8-E11 PolarHBondContact OG1-OE2 3.42Å; E11-E14 PolarHBondContact O-N 3.49Å; E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.29Å; E11-S15 PolarHBondContact O-N 3.21Å; E11-S15 PolarHBondContact O-OG 3.12Å; E11-S15 VanDerWaalsContact O-OG 3.06Å |
| 12 | I | 65.8 | Low | 51.6 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 40% | 0.395 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.9 | -39.1 | 174.2 | -63.7 | 168.2 | 0 | 0 | 0 | 111 | P7 T8 Y10 M16 | P7-I12 HydrophobicContact CB-CG1 4.03Å; P7-I12 HydrophobicContact CG-CD1 4.17Å; P7-I12 HydrophobicContact CG-CG1 3.94Å; T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.02Å; Y10-I12 VanDerWaalsContact C-N 3.33Å; Y10-I12 PolarHBondContact O-N 3.44Å; I12-M16 PolarHBondContact O-N 3.06Å; I12-M16 VanDerWaalsContact O-N 3.12Å |
| 13 | F | 65.3 | Low | 52.1 | Low | 158 Ų | 158 | 115 Ų | 115 | 69% | 0.693 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72 | -33.3 | 177.2 | -99.4 | -85.7 | 0 | 0 | 0 | 112.8 | V9 Y10 | V9-F13 HydrophobicContact CG1-CD2 3.99Å; V9-F13 HydrophobicContact CG1-CE2 4.21Å; V9-F13 WeakPolarHBondContact O-CD2 3.28Å; V9-F13 PolarHBondContact O-N 2.81Å; V9-F13 VanDerWaalsContact O-N 3.11Å; Y10-F13 PolarHBondContact O-N 2.91Å |
| 14 | E | 61.9 | Low | 53.1 | Low | 139 Ų | 139 | 113 Ų | 113 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.6 | -43.5 | 175.4 | -103.1 | -158 | 168.3 | 0 | 0 | 113 | Y10 E11 M16 | Y10-E14 HydrophobicContact CE1-CG 4.28Å; Y10-E14 PolarHBondContact O-N 3.47Å; Y10-E14 PolarHBondContact OH-OE1 2.97Å; E11-E14 PolarHBondContact O-N 3.49Å; E14-M16 VanDerWaalsContact C-N 3.29Å; E14-M16 PolarHBondContact O-N 3.14Å |
| 15 | S | 68.3 | Low | 54.6 | Low | 59 Ų | 59 | 112 Ų | 112 | 41% | 0.413 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.1 | -24.5 | -177 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | E11 E17 | E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.29Å; E11-S15 PolarHBondContact O-N 3.21Å; E11-S15 PolarHBondContact O-OG 3.12Å; E11-S15 VanDerWaalsContact O-OG 3.06Å; S15-E17 PolarHBondContact O-N 3.04Å; S15-E17 WeakPolarHBondContact OG-CB 3.27Å; S15-E17 PolarHBondContact OG-N 2.75Å; S15-E17 VanDerWaalsContact OG-N 3.13Å |
| 16 | M | 51.9 | Low | 56.4 | Low | 148 Ų | 148 | 106.7 Ų | 106.7 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | trans | 49.9 | 20.6 | -169.4 | -66.5 | -73.7 | -70 | 0 | 0 | 112.1 | I12 E14 Q18 | I12-M16 PolarHBondContact O-N 3.06Å; I12-M16 VanDerWaalsContact O-N 3.12Å; E14-M16 VanDerWaalsContact C-N 3.29Å; E14-M16 PolarHBondContact O-N 3.14Å; M16-Q18 PolarHBondContact O-N 2.89Å; M16-Q18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | E | 41.2 | Very low | 58.2 | Low | 151 Ų | 151 | 103.2 Ų | 103.2 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | trans | -68.6 | 114.1 | 179.3 | -78.3 | -174.6 | 163.4 | 0 | 0 | 107.7 | S15 G19 | S15-E17 PolarHBondContact O-N 3.04Å; S15-E17 WeakPolarHBondContact OG-CB 3.27Å; S15-E17 PolarHBondContact OG-N 2.75Å; S15-E17 VanDerWaalsContact OG-N 3.13Å; E17-G19 PolarHBondContact O-N 3.34Å | ||
| 18 | Q | 40.4 | Very low | 59.8 | Low | 174 Ų | 174 | 102 Ų | 102 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | trans | -60.9 | 110.4 | 165.6 | -70.6 | -174.6 | -17 | 0 | 0 | 107 | M16 | M16-Q18 PolarHBondContact O-N 2.89Å; M16-Q18 VanDerWaalsContact O-N 3.11Å | ||
| 19 | G | 33.5 | Very low | 60.7 | Low | 56 Ų | 56 | 98.4 Ų | 98.4 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | trans | -49.7 | 147 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E17 A21 | E17-G19 PolarHBondContact O-N 3.34Å; G19-A21 PolarHBondContact O-N 2.94Å; G19-A21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | P | 34.5 | Very low | 62.1 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 83% | 0.825 | 56% | 0.558 | S | S | * | * | trans | -51.2 | 126.9 | 178.5 | 21.4 | -31.4 | 0 | 0 | 0 | 108.2 | A22 | P20-A22 PolarHBondContact O-N 3.13Š| ||
| 21 | A | 36.8 | Very low | 63.2 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 82% | 0.818 | 55% | 0.552 | S | S | * | * | trans | -49.6 | 114.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | G19 A23 | G19-A21 PolarHBondContact O-N 2.94Å; G19-A21 VanDerWaalsContact O-N 3.11Å; A21-A23 PolarHBondContact O-N 3.46Å | ||
| 22 | A | 39.9 | Very low | 64.6 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | trans | -49.7 | 124.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 107 | P20 T24 | P20-A22 PolarHBondContact O-N 3.13Å; A22-T24 PolarHBondContact O-N 2.73Å | ||
| 23 | A | 43.7 | Very low | 66 | Low | 97 Ų | 97 | 85.5 Ų | 85.5 | 80% | 0.802 | 52% | 0.517 | S | S | * | . | trans | -51.3 | 113.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | A21 S25 | A21-A23 PolarHBondContact O-N 3.46Å; A23-S25 PolarHBondContact O-N 2.73Å | ||
| 24 | T | 57.3 | Low | 67.5 | Low | 115 Ų | 115 | 81.7 Ų | 81.7 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | trans | -61.5 | 103.6 | -176.4 | 8.4 | 0 | 0 | 0 | 0 | 106.7 | A22 T26 | A22-T24 PolarHBondContact O-N 2.73Å; T24-T26 PolarHBondContact O-N 3.31Å | ||
| 25 | S | 70.6 | Confident | 69.1 | Low | 79 Ų | 79 | 82 Ų | 82 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -63.9 | 119.4 | 172.8 | 179 | 0 | 0 | 0 | 0 | 106.9 | A23 P27 E120 | A23-S25 PolarHBondContact O-N 2.73Å; S25-P27 WeakPolarHBondContact OG-CD 3.33Å; S25-E120 VanDerWaalsContact O-CD 3.27Å; S25-E120 WeakPolarHBondContact O-CG 3.46Å | ||
| 26 | T | 84.7 | Confident | 70.3 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 12% | 0.123 | 49% | 0.491 | C | S | . | . | trans | -114.8 | 32.7 | 179.1 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | T24 T28 Q30 E120 L124 | T24-T26 PolarHBondContact O-N 3.31Å; T26-T28 PolarHBondContact O-N 3.44Å; T26-Q30 WeakPolarHBondContact O-CB 3.31Å; T26-Q30 VanDerWaalsContact O-CG 3.23Å; T26-Q30 WeakPolarHBondContact O-CG 3.32Å; T26-Q30 PolarHBondContact O-N 3.08Å; T26-Q30 PolarHBondContact OG1-NE2 3.4Å; T26-E120 WeakPolarHBondContact CA-OE2 3.4Å; T26-E120 HydrophobicContact CG2-CB 4.44Å; T26-L124 HydrophobicContact CG2-CD1 4.28Å; T26-L124 HydrophobicContact CG2-CD2 3.81Å; T26-L124 HydrophobicContact CG2-CG 3.82Å | ||
| 27 | P | 90.9 | Very high | 72.3 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 41% | 0.409 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -32.9 | -169.5 | 29.8 | -36.5 | 0 | 0 | 0 | 112.6 | S25 A31 | S25-P27 WeakPolarHBondContact OG-CD 3.33Å; P27-A31 VanDerWaalsContact O-CB 3.25Å; P27-A31 WeakPolarHBondContact O-CB 3.46Å; P27-A31 PolarHBondContact O-N 3.19Å |
| 28 | T | 92.8 | Very high | 74.8 | Confident | 51 Ų | 51 | 76.1 Ų | 76.1 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.2 | -39.9 | -177 | 67 | 0 | 0 | 0 | 0 | 111.1 | T26 A31 W32 C117 E120 | T26-T28 PolarHBondContact O-N 3.44Å; T28-A31 PolarHBondContact O-N 3.24Å; T28-W32 PolarHBondContact O-N 3.41Å; T28-C117 VanDerWaalsContact OG1-CA 3.24Å; T28-C117 WeakPolarHBondContact OG1-CA 3.29Å; T28-E120 WeakPolarHBondContact CA-OE2 3.29Å; T28-E120 WeakPolarHBondContact CB-OE2 3.38Å; T28-E120 PolarHBondContact N-OE2 3.45Å; T28-E120 PolarHBondContact OG1-OE1 3.24Å; T28-E120 PolarHBondContact OG1-OE2 3.01Å |
| 29 | A | 92.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W32 L33 E120 L121 L124 | A29-W32 PolarHBondContact O-N 3.39Å; A29-L33 WeakPolarHBondContact O-CG 3.19Å; A29-L33 PolarHBondContact O-N 3.33Å; A29-E120 HydrophobicContact CB-CB 3.57Å; A29-E120 PolarHBondContact N-OE2 2.83Å; A29-E120 VanDerWaalsContact N-OE2 3.08Å; A29-L121 HydrophobicContact CB-CB 3.95Å; A29-L121 HydrophobicContact CB-CD1 4.38Å; A29-L124 HydrophobicContact CB-CD1 3.77Å |
| 30 | Q | 93.3 | Very high | 80.3 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.3 | -75.4 | 176.2 | 4.1 | 0 | 0 | 111.7 | T26 W32 L33 D34 L124 | T26-Q30 WeakPolarHBondContact O-CB 3.31Å; T26-Q30 VanDerWaalsContact O-CG 3.23Å; T26-Q30 WeakPolarHBondContact O-CG 3.32Å; T26-Q30 PolarHBondContact O-N 3.08Å; T26-Q30 PolarHBondContact OG1-NE2 3.4Å; Q30-W32 VanDerWaalsContact C-N 3.33Å; Q30-W32 PolarHBondContact O-N 3.49Å; Q30-L33 PolarHBondContact O-N 3.3Å; Q30-D34 WeakPolarHBondContact O-CB 3.33Å; Q30-D34 VanDerWaalsContact O-CG 3.28Å; Q30-D34 PolarHBondContact O-N 3.44Å; Q30-L124 HydrophobicContact CG-CD1 4.39Å |
| 31 | A | 95.1 | Very high | 83.2 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 49% | 0.488 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P27 T28 D34 H35 | P27-A31 VanDerWaalsContact O-CB 3.25Å; P27-A31 WeakPolarHBondContact O-CB 3.46Å; P27-A31 PolarHBondContact O-N 3.19Å; T28-A31 PolarHBondContact O-N 3.24Å; A31-D34 PolarHBondContact O-N 3Å; A31-H35 WeakPolarHBondContact O-CB 3.38Å; A31-H35 PolarHBondContact O-N 2.97Å |
| 32 | W | 96.3 | Very high | 86 | Confident | 26 Ų | 26 | 56 Ų | 56 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.4 | 179.4 | 84.5 | 0 | 0 | 0 | 112.3 | T28 A29 Q30 H35 H36 L40 F48 L121 L201 L202 | T28-W32 PolarHBondContact O-N 3.41Å; A29-W32 PolarHBondContact O-N 3.39Å; Q30-W32 VanDerWaalsContact C-N 3.33Å; Q30-W32 PolarHBondContact O-N 3.49Å; W32-H35 WeakPolarHBondContact O-CB 3.25Å; W32-H35 PolarHBondContact O-N 2.94Å; W32-H36 AromaticContact CD1-CE1 3.97Å; W32-H36 AromaticContact CE2-CE1 3.56Å; W32-H36 AromaticContact CE2-ND1 3.77Å; W32-H36 AromaticContact CZ2-CE1 3.87Å; W32-H36 AromaticContact NE1-CE1 3.37Å; W32-H36 PolarHBondContact NE1-CE1 3.1Å; W32-H36 AromaticContact NE1-ND1 3.89Å; W32-H36 PolarHBondContact O-N 3.22Å; W32-H36 PolarHBondContact O-ND1 3.34Å; W32-L40 HydrophobicContact CH2-CD1 3.98Å; W32-L40 HydrophobicContact CH2-CD2 3.78Å; W32-L40 HydrophobicContact CZ3-CD1 3.97Å; W32-L40 HydrophobicContact CZ3-CD2 4Å; W32-F48 HydrophobicContact CZ2-CZ 4.07Å; W32-L121 HydrophobicContact CE3-CD2 3.89Å; W32-L121 HydrophobicContact CH2-CD2 4.41Å; W32-L121 HydrophobicContact CZ3-CD2 3.69Å; W32-L201 HydrophobicContact CH2-CB 4.45Å; W32-L202 HydrophobicContact CD2-CD1 4.21Å; W32-L202 HydrophobicContact CG-CD1 4.29Å; W32-L202 HydrophobicContact CH2-CB 4.06Å; W32-L202 HydrophobicContact CZ2-CB 3.84Å; W32-L202 HydrophobicContact CZ2-CD1 4.23Å |
| 33 | L | 96 | Very high | 88.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.2 | -71.5 | 173.7 | 0 | 0 | 0 | 111.3 | A29 Q30 H35 H36 S37 R38 L40 V67 C68 L121 L124 | A29-L33 WeakPolarHBondContact O-CG 3.19Å; A29-L33 PolarHBondContact O-N 3.33Å; Q30-L33 PolarHBondContact O-N 3.3Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.25Å; L33-H36 CarbonylContact O-C 3.46Å; L33-H36 WeakPolarHBondContact O-CA 3.47Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-S37 PolarHBondContact O-N 3.46Å; L33-R38 HydrophobicContact CB-CG 4.18Å; L33-R38 WeakPolarHBondContact O-CA 3.39Å; L33-R38 PolarHBondContact O-N 3.46Å; L33-L40 HydrophobicContact CD2-CD1 4.21Å; L33-V67 HydrophobicContact CD1-CG1 3.92Å; L33-C68 HydrophobicContact CD2-CB 3.9Å; L33-L121 HydrophobicContact CD1-CD1 4.04Å; L33-L121 HydrophobicContact CD2-CD1 4.15Å; L33-L121 HydrophobicContact CG-CD1 4.14Å; L33-L124 HydrophobicContact CD1-CD1 4.42Å |
| 34 | D | 95.8 | Very high | 91.3 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 177.7 | -74.2 | -34.9 | 0 | 0 | 0 | 112.1 | Q30 A31 H36 S37 R38 | Q30-D34 WeakPolarHBondContact O-CB 3.33Å; Q30-D34 VanDerWaalsContact O-CG 3.28Å; Q30-D34 PolarHBondContact O-N 3.44Å; A31-D34 PolarHBondContact O-N 3Å; D34-H36 PolarHBondContact O-N 3.45Å; D34-S37 PolarHBondContact O-N 3.08Å; D34-R38 IonicContact OD1-CZ 3.28Å; D34-R38 IonicContact OD1-NE 3.81Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.02Å; D34-R38 IonicContact OD1-NH2 3.92Å; D34-R38 PolarHBondContact OD1-NH2 2.94Å; D34-R38 IonicContact OD2-CZ 2.72Å; D34-R38 IonicContact OD2-NH2 3.89Å; D34-R38 PolarHBondContact OD2-NH2 3.2Å |
| 35 | H | 95.2 | Very high | 93.1 | Very high | 145 Ų | 145 | 46.1 Ų | 46.1 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.2 | -31 | 172.9 | -177.6 | 76 | 0 | 0 | 0 | 112.8 | A31 W32 L33 S37 | A31-H35 WeakPolarHBondContact O-CB 3.38Å; A31-H35 PolarHBondContact O-N 2.97Å; W32-H35 WeakPolarHBondContact O-CB 3.25Å; W32-H35 PolarHBondContact O-N 2.94Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.25Å; H35-S37 VanDerWaalsContact C-N 3.35Å |
| 36 | H | 94.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 19.6 | 174.7 | -63.1 | 86.2 | 0 | 0 | 0 | 112.5 | W32 L33 D34 R38 S39 L40 F48 | W32-H36 AromaticContact CD1-CE1 3.97Å; W32-H36 AromaticContact CE2-CE1 3.56Å; W32-H36 AromaticContact CE2-ND1 3.77Å; W32-H36 AromaticContact CZ2-CE1 3.87Å; W32-H36 AromaticContact NE1-CE1 3.37Å; W32-H36 PolarHBondContact NE1-CE1 3.1Å; W32-H36 AromaticContact NE1-ND1 3.89Å; W32-H36 PolarHBondContact O-N 3.22Å; W32-H36 PolarHBondContact O-ND1 3.34Å; L33-H36 CarbonylContact O-C 3.46Å; L33-H36 WeakPolarHBondContact O-CA 3.47Å; L33-H36 PolarHBondContact O-N 3.17Å; D34-H36 PolarHBondContact O-N 3.45Å; H36-R38 PolarHBondContact O-N 3.3Å; H36-S39 PolarHBondContact O-N 3.36Å; H36-S39 VanDerWaalsContact O-O 3.12Å; H36-L40 HydrophobicContact CB-CD2 3.61Å; H36-F48 AromaticContact NE2-CD2 3.78Å; H36-F48 AromaticContact NE2-CE2 3.61Å |
| 37 | S | 93.5 | Very high | 94.8 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 73% | 0.734 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.2 | -177.9 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | L33 D34 H35 S39 | L33-S37 PolarHBondContact O-N 3.46Å; D34-S37 PolarHBondContact O-N 3.08Å; H35-S37 VanDerWaalsContact C-N 3.35Å; S37-S39 PolarHBondContact O-N 2.94Å |
| 38 | R | 93.8 | Very high | 95 | Very high | 99 Ų | 99 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 18.9 | -171.3 | -61.7 | -173.4 | 158.3 | 95.5 | 14.7 | 114.5 | L33 D34 H36 C68 S69 | L33-R38 HydrophobicContact CB-CG 4.18Å; L33-R38 WeakPolarHBondContact O-CA 3.39Å; L33-R38 PolarHBondContact O-N 3.46Å; D34-R38 IonicContact OD1-CZ 3.28Å; D34-R38 IonicContact OD1-NE 3.81Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.02Å; D34-R38 IonicContact OD1-NH2 3.92Å; D34-R38 PolarHBondContact OD1-NH2 2.94Å; D34-R38 IonicContact OD2-CZ 2.72Å; D34-R38 IonicContact OD2-NH2 3.89Å; D34-R38 PolarHBondContact OD2-NH2 3.2Å; H36-R38 PolarHBondContact O-N 3.3Å; R38-C68 HydrophobicContact CB-CB 4.41Å; R38-C68 CarbonylContact O-C 3.48Å; R38-C68 WeakPolarHBondContact O-CA 3.24Å; R38-C68 WeakPolarHBondContact O-CB 3.41Å; R38-S69 PolarHBondContact O-N 3.02Å; R38-S69 PolarHBondContact O-OG 2.6Å |
| 39 | S | 94.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 103.5 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | H36 S37 | H36-S39 PolarHBondContact O-N 3.36Å; H36-S39 VanDerWaalsContact O-O 3.12Å; S37-S39 PolarHBondContact O-N 2.94Å |
| 40 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.9 | -172.3 | -59.5 | 178.9 | 0 | 0 | 0 | 110.9 | W32 L33 H36 S69 T70 V71 P198 L201 | W32-L40 HydrophobicContact CH2-CD1 3.98Å; W32-L40 HydrophobicContact CH2-CD2 3.78Å; W32-L40 HydrophobicContact CZ3-CD1 3.97Å; W32-L40 HydrophobicContact CZ3-CD2 4Å; L33-L40 HydrophobicContact CD2-CD1 4.21Å; H36-L40 HydrophobicContact CB-CD2 3.61Å; L40-S69 PolarHBondContact N-O 2.9Å; L40-T70 HydrophobicContact CB-CG2 4.3Å; L40-T70 WeakPolarHBondContact O-CA 3.22Å; L40-V71 PolarHBondContact O-N 2.89Å; L40-P198 HydrophobicContact CD1-CB 3.76Å; L40-P198 HydrophobicContact CD1-CG 4.06Å; L40-L201 HydrophobicContact CB-CD1 3.83Å; L40-L201 HydrophobicContact CD1-CD1 4.07Å |
| 41 | G | 94.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | trans | -78.8 | -168.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I49 | G41-I49 CarbonylContact C-O 3.55Å; G41-I49 VanDerWaalsContact CA-O 3.23Å; G41-I49 WeakPolarHBondContact CA-O 3.45Å | ||
| 42 | F | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 163.7 | 167.3 | -49.6 | -50.9 | 0 | 0 | 0 | 111 | M44 F48 I49 P51 V71 A73 D77 L220 T221 | F42-M44 HydrophobicContact CB-CE 3.9Å; F42-M44 HydrophobicContact CB-CG 4.32Å; F42-M44 HydrophobicContact CD2-CE 3.86Å; F42-M44 HydrophobicContact CG-CE 4.24Å; F42-F48 CarbonylContact O-C 3.48Å; F42-F48 VanDerWaalsContact O-CA 3.31Å; F42-F48 WeakPolarHBondContact O-CA 3.48Å; F42-I49 PolarHBondContact N-O 3.11Å; F42-I49 PolarHBondContact O-N 2.72Å; F42-P51 HydrophobicContact CD2-CG 4.29Å; F42-P51 HydrophobicContact CE2-CG 3.91Å; F42-V71 HydrophobicContact CD1-CG2 4Å; F42-V71 HydrophobicContact CD2-CG2 4.46Å; F42-V71 HydrophobicContact CE1-CG2 3.53Å; F42-V71 HydrophobicContact CE2-CG2 4.03Å; F42-V71 HydrophobicContact CG-CG2 4.43Å; F42-V71 HydrophobicContact CZ-CB 4.33Å; F42-V71 HydrophobicContact CZ-CG2 3.51Å; F42-A73 HydrophobicContact CE1-CB 3.83Å; F42-A73 HydrophobicContact CE2-CB 4.48Å; F42-A73 HydrophobicContact CZ-CB 3.72Å; F42-D77 HydrophobicContact CD2-CB 4.22Å; F42-D77 HydrophobicContact CE2-CB 3.79Å; F42-D77 WeakPolarHBondContact CE2-OD2 3.37Å; F42-D77 HydrophobicContact CZ-CB 4.45Å; F42-L220 HydrophobicContact CB-CD2 4.14Å; F42-L220 HydrophobicContact CD1-CD2 3.85Å; F42-L220 HydrophobicContact CD2-CD2 4.21Å; F42-L220 HydrophobicContact CE1-CD2 4.34Å; F42-L220 HydrophobicContact CG-CD2 3.79Å; F42-T221 WeakPolarHBondContact CE1-OG1 3.46Å |
| 43 | F | 97.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 108.9 | 168.1 | -165.8 | -89 | 0 | 0 | 0 | 109.6 | G46 K47 F48 L201 A204 Q205 T208 N218 I219 | F43-G46 VanDerWaalsContact CZ-C 3.43Å; F43-K47 WeakPolarHBondContact CA-O 3.29Å; F43-F48 HydrophobicContact CD2-CD1 4.35Å; F43-F48 AromaticContact CD2-CD2 3.96Å; F43-F48 HydrophobicContact CD2-CD2 3.96Å; F43-F48 HydrophobicContact CD2-CE1 4.32Å; F43-F48 AromaticContact CD2-CE2 3.93Å; F43-F48 HydrophobicContact CD2-CE2 3.93Å; F43-F48 HydrophobicContact CD2-CG 4.18Å; F43-F48 HydrophobicContact CD2-CZ 4.1Å; F43-F48 HydrophobicContact CE2-CD2 4.19Å; F43-F48 HydrophobicContact CE2-CE2 4.18Å; F43-L201 HydrophobicContact CB-CD2 3.79Å; F43-A204 HydrophobicContact CB-CB 4.36Å; F43-A204 HydrophobicContact CD1-CB 3.41Å; F43-A204 VanDerWaalsContact CD1-CB 3.41Å; F43-A204 HydrophobicContact CD2-CB 4.4Å; F43-A204 HydrophobicContact CE1-CB 3.7Å; F43-A204 HydrophobicContact CG-CB 3.8Å; F43-A204 HydrophobicContact CZ-CB 4.32Å; F43-A204 WeakPolarHBondContact CZ-O 3.33Å; F43-Q205 HydrophobicContact CE2-CB 4.14Å; F43-T208 VanDerWaalsContact CE1-OG1 3.25Å; F43-T208 WeakPolarHBondContact CE1-OG1 3.38Å; F43-T208 HydrophobicContact CZ-CG2 4.39Å; F43-T208 VanDerWaalsContact CZ-OG1 3.24Å; F43-T208 WeakPolarHBondContact CZ-OG1 3.39Å; F43-N218 CarbonylContact O-C 3.58Å; F43-N218 VanDerWaalsContact O-CA 3.29Å; F43-N218 WeakPolarHBondContact O-CA 3.33Å; F43-I219 HydrophobicContact CB-CB 4.14Å; F43-I219 HydrophobicContact CB-CD1 4.21Å; F43-I219 HydrophobicContact CB-CG1 4.42Å; F43-I219 PolarHBondContact N-O 3.24Å; F43-I219 PolarHBondContact O-N 3.31Å |
| 44 | M | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.2 | -176.5 | -61.5 | -175.2 | -77.5 | 0 | 0 | 109.8 | F42 G46 K47 I49 C81 L220 | F42-M44 HydrophobicContact CB-CE 3.9Å; F42-M44 HydrophobicContact CB-CG 4.32Å; F42-M44 HydrophobicContact CD2-CE 3.86Å; F42-M44 HydrophobicContact CG-CE 4.24Å; M44-G46 PolarHBondContact O-N 3.13Å; M44-G46 VanDerWaalsContact O-N 3.09Å; M44-K47 PolarHBondContact N-O 2.98Å; M44-K47 PolarHBondContact O-N 3.41Å; M44-K47 VanDerWaalsContact O-O 3.06Å; M44-I49 HydrophobicContact CB-CD1 4Å; M44-I49 HydrophobicContact CE-CB 4.27Å; M44-I49 HydrophobicContact CE-CD1 3.75Å; M44-I49 HydrophobicContact CE-CG1 4.48Å; M44-I49 HydrophobicContact CE-CG2 4.43Å; M44-C81 HydrophobicContact CG-CB 4.26Å; M44-C81 WeakPolarHBondContact SD-CA 3.22Å; M44-C81 HydrophobicContact SD-CB 3.36Å; M44-C81 WeakPolarHBondContact SD-CB 3.48Å; M44-L220 HydrophobicContact CE-CD2 4.38Å; M44-L220 HydrophobicContact SD-CD2 3.83Å |
| 45 | D | 94.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.4 | 178.9 | -158.8 | 40.5 | 0 | 0 | 0 | 113.6 | K47 S84 N218 | D45-K47 VanDerWaalsContact C-N 3.32Å; D45-K47 PolarHBondContact O-N 2.94Å; D45-S84 WeakPolarHBondContact CA-OG 3.34Å; D45-S84 WeakPolarHBondContact CB-OG 3.27Å; D45-S84 PolarHBondContact N-OG 3.16Å; D45-S84 VanDerWaalsContact N-OG 3.16Å; D45-N218 PolarHBondContact N-OD1 2.96Å |
| 46 | G | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 13.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F43 M44 | F43-G46 VanDerWaalsContact CZ-C 3.43Å; M44-G46 PolarHBondContact O-N 3.13Å; M44-G46 VanDerWaalsContact O-N 3.09Å |
| 47 | K | 96.5 | Very high | 93.1 | Very high | 146 Ų | 146 | 60.5 Ų | 60.5 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.6 | -177.5 | -59.6 | 179.2 | -172.7 | 171.4 | 0 | 112.1 | F43 M44 D45 | F43-K47 WeakPolarHBondContact CA-O 3.29Å; M44-K47 PolarHBondContact N-O 2.98Å; M44-K47 PolarHBondContact O-N 3.41Å; M44-K47 VanDerWaalsContact O-O 3.06Å; D45-K47 VanDerWaalsContact C-N 3.32Å; D45-K47 PolarHBondContact O-N 2.94Å |
| 48 | F | 96.6 | Very high | 93 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 25% | 0.25 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 134.9 | 165.6 | -82.4 | -80.5 | 0 | 0 | 0 | 110.7 | W32 H36 F42 F43 L201 Q205 | W32-F48 HydrophobicContact CZ2-CZ 4.07Å; H36-F48 AromaticContact NE2-CD2 3.78Å; H36-F48 AromaticContact NE2-CE2 3.61Å; F42-F48 CarbonylContact O-C 3.48Å; F42-F48 VanDerWaalsContact O-CA 3.31Å; F42-F48 WeakPolarHBondContact O-CA 3.48Å; F43-F48 HydrophobicContact CD2-CD1 4.35Å; F43-F48 AromaticContact CD2-CD2 3.96Å; F43-F48 HydrophobicContact CD2-CD2 3.96Å; F43-F48 HydrophobicContact CD2-CE1 4.32Å; F43-F48 AromaticContact CD2-CE2 3.93Å; F43-F48 HydrophobicContact CD2-CE2 3.93Å; F43-F48 HydrophobicContact CD2-CG 4.18Å; F43-F48 HydrophobicContact CD2-CZ 4.1Å; F43-F48 HydrophobicContact CE2-CD2 4.19Å; F43-F48 HydrophobicContact CE2-CE2 4.18Å; F48-L201 HydrophobicContact CE1-CB 4.05Å; F48-L201 HydrophobicContact CE1-CD2 4.06Å; F48-L201 HydrophobicContact CE1-CG 4.47Å; F48-L201 HydrophobicContact CZ-CB 4.19Å; F48-Q205 HydrophobicContact CE2-CB 3.84Å; F48-Q205 HydrophobicContact CE2-CG 3.99Å; F48-Q205 HydrophobicContact CZ-CB 4.38Å |
| 49 | I | 95.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.6 | 176.2 | -57 | -175.4 | 0 | 0 | 0 | 107.6 | G41 F42 M44 P51 | G41-I49 CarbonylContact C-O 3.55Å; G41-I49 VanDerWaalsContact CA-O 3.23Å; G41-I49 WeakPolarHBondContact CA-O 3.45Å; F42-I49 PolarHBondContact N-O 3.11Å; F42-I49 PolarHBondContact O-N 2.72Å; M44-I49 HydrophobicContact CB-CD1 4Å; M44-I49 HydrophobicContact CE-CB 4.27Å; M44-I49 HydrophobicContact CE-CD1 3.75Å; M44-I49 HydrophobicContact CE-CG1 4.48Å; M44-I49 HydrophobicContact CE-CG2 4.43Å; I49-P51 HydrophobicContact CG2-CG 4.3Å; I49-P51 WeakPolarHBondContact O-CD 3.24Å |
| 50 | L | 92.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -117.4 | 91.8 | 178.6 | -175.5 | 70.4 | 0 | 0 | 0 | 109.4 | V71 | L50-V71 HydrophobicContact CD1-CG1 3.64Š| ||
| 51 | P | 90.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 20% | 0.195 | 32% | 0.318 | C | S | . | . | trans | -73.5 | 137.1 | 177.4 | -7.1 | 23.2 | 0 | 0 | 0 | 110.4 | F42 I49 R54 | F42-P51 HydrophobicContact CD2-CG 4.29Å; F42-P51 HydrophobicContact CE2-CG 3.91Å; I49-P51 HydrophobicContact CG2-CG 4.3Å; I49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-R54 HydrophobicContact CB-CG 3.78Å; P51-R54 HydrophobicContact CG-CG 3.99Å | ||
| 52 | A | 80.9 | Confident | 90.6 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R54 | A52-R54 VanDerWaalsContact C-N 3.3Å; A52-R54 PolarHBondContact O-N 3.22Å |
| 53 | D | 85.7 | Confident | 89.4 | Confident | 142 Ų | 142 | 72.4 Ų | 72.4 | 76% | 0.759 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 38.1 | -172.8 | -56.4 | -43 | 0 | 0 | 0 | 112.8 | ||
| 54 | R | 90.3 | Very high | 88.2 | Confident | 46 Ų | 46 | 75 Ų | 75 | 17% | 0.174 | 42% | 0.418 | C | S | . | . | trans | -113.6 | 138.5 | -179.1 | -64.3 | -65.3 | -178.4 | -107.3 | 1.6 | 112.1 | P51 A52 S56 V71 C72 E74 D77 | P51-R54 HydrophobicContact CB-CG 3.78Å; P51-R54 HydrophobicContact CG-CG 3.99Å; A52-R54 VanDerWaalsContact C-N 3.3Å; A52-R54 PolarHBondContact O-N 3.22Å; R54-S56 PolarHBondContact O-N 3.5Å; R54-V71 HydrophobicContact CB-CB 3.97Å; R54-V71 HydrophobicContact CB-CG1 4.24Å; R54-C72 WeakPolarHBondContact CD-O 3.19Å; R54-E74 IonicContact CZ-OE2 3.79Å; R54-E74 VanDerWaalsContact CZ-OE2 3.27Å; R54-E74 IonicContact NE-OE2 2.82Å; R54-E74 VanDerWaalsContact NH1-CD 3.29Å; R54-E74 IonicContact NH1-OE1 2.9Å; R54-E74 IonicContact NH1-OE2 3.48Å; R54-E74 PolarHBondContact NH1-OE2 2.82Å; R54-E74 IonicContact NH2-OE2 2.69Å; R54-D77 IonicContact CZ-OD1 3.27Å; R54-D77 IonicContact CZ-OD2 3.92Å; R54-D77 IonicContact NE-OD1 2.72Å; R54-D77 IonicContact NE-OD2 3.49Å; R54-D77 PolarHBondContact NE-OD2 2.91Å; R54-D77 IonicContact NH2-OD1 3.83Å; R54-D77 PolarHBondContact NH2-OD1 2.9Å; R54-D77 IonicContact NH2-OD2 3.88Å; R54-D77 PolarHBondContact NH2-OD2 2.9Å | ||
| 55 | R | 92.8 | Very high | 87.6 | Confident | 178 Ų | 178 | 76.5 Ų | 76.5 | 67% | 0.672 | 43% | 0.434 | S | S | * | . | trans | -59.8 | 135.9 | 167.6 | -176.2 | 177.7 | 177.9 | -176.4 | 0.8 | 109.1 | V71 C72 | R55-V71 CarbonylContact O-C 3.59Å; R55-C72 HydrophobicContact CB-CB 4.48Å; R55-C72 WeakPolarHBondContact O-CB 3.22Å; R55-C72 PolarHBondContact O-N 3.1Å | ||
| 56 | S | 91.3 | Very high | 87.3 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 150.7 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | R54 T70 | R54-S56 PolarHBondContact O-N 3.5Å; S56-T70 WeakPolarHBondContact CA-O 3.25Å |
| 57 | L | 90.9 | Very high | 87.2 | Confident | 25 Ų | 25 | 76.5 Ų | 76.5 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128 | 174.2 | -67.9 | 174.4 | 0 | 0 | 0 | 109.8 | S69 T70 C72 | L57-S69 CarbonylContact O-C 3.6Å; L57-S69 WeakPolarHBondContact O-CA 3.11Å; L57-T70 PolarHBondContact N-O 3.48Å; L57-T70 PolarHBondContact O-N 2.83Å; L57-C72 WeakPolarHBondContact CD1-SG 3.36Å |
| 58 | S | 91.9 | Very high | 87.1 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.2 | 177 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 59 | L | 90 | Very high | 87 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.8 | 163.8 | 176.2 | 64.9 | 0 | 0 | 0 | 108 | V67 C68 C125 R194 P198 | L59-V67 PolarHBondContact O-N 2.63Å; L59-C68 PolarHBondContact N-O 3.47Å; L59-C125 HydrophobicContact CD2-CB 3.74Å; L59-C125 VanDerWaalsContact CD2-SG 3.58Å; L59-R194 HydrophobicContact CB-CG 4.35Å; L59-R194 HydrophobicContact CD1-CG 3.96Å; L59-P198 HydrophobicContact CD2-CG 4.01Å |
| 60 | T | 86.3 | Confident | 86.9 | Confident | 72 Ų | 72 | 66.3 Ų | 66.3 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.8 | 178 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | G65 V66 | T60-G65 CarbonylContact C-O 3.56Å; T60-G65 WeakPolarHBondContact CA-O 3.36Å; T60-V66 HydrophobicContact CG2-CG2 4.22Å |
| 61 | D | 80 | Confident | 87 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -76.8 | 172.3 | 170 | 68.1 | 18.5 | 0 | 0 | 0 | 111.4 | K63 G64 G65 V67 | D61-K63 PolarHBondContact O-N 3.46Å; D61-K63 VanDerWaalsContact OD1-C 3.28Å; D61-K63 VanDerWaalsContact OD1-CA 3.26Å; D61-K63 WeakPolarHBondContact OD1-CA 3.33Å; D61-K63 WeakPolarHBondContact OD1-CB 3.47Å; D61-K63 PolarHBondContact OD1-N 2.99Å; D61-G64 PolarHBondContact O-N 3.11Å; D61-G64 PolarHBondContact OD1-N 2.97Å; D61-G65 PolarHBondContact N-O 3Å; D61-G65 PolarHBondContact OD1-N 2.96Å; D61-V67 HydrophobicContact CB-CG2 3.94Å | ||
| 62 | S | 69.6 | Low | 87.2 | Confident | 101 Ų | 101 | 61 Ų | 61 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.4 | 173.9 | 35.3 | 0 | 0 | 0 | 0 | 115.3 | E126 | S62-E126 WeakPolarHBondContact CB-OE1 3.2Å; S62-E126 PolarHBondContact N-OE1 3.5Å; S62-E126 VanDerWaalsContact N-OE1 3.13Å; S62-E126 PolarHBondContact OG-OE1 2.97Å |
| 63 | K | 71.8 | Confident | 87.9 | Confident | 194 Ų | 194 | 57 Ų | 57 | 84% | 0.843 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 0.6 | 173.1 | -60.1 | 177.5 | -176.5 | 172.7 | 0 | 112.4 | D61 G65 | D61-K63 PolarHBondContact O-N 3.46Å; D61-K63 VanDerWaalsContact OD1-C 3.28Å; D61-K63 VanDerWaalsContact OD1-CA 3.26Å; D61-K63 WeakPolarHBondContact OD1-CA 3.33Å; D61-K63 WeakPolarHBondContact OD1-CB 3.47Å; D61-K63 PolarHBondContact OD1-N 2.99Å; K63-G65 VanDerWaalsContact C-N 3.32Å |
| 64 | G | 73.2 | Confident | 88.2 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 81.1 | 6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D61 | D61-G64 PolarHBondContact O-N 3.11Å; D61-G64 PolarHBondContact OD1-N 2.97Å |
| 65 | G | 83.6 | Confident | 88.3 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | trans | -76.1 | 137.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T60 D61 K63 V67 | T60-G65 CarbonylContact C-O 3.56Å; T60-G65 WeakPolarHBondContact CA-O 3.36Å; D61-G65 PolarHBondContact N-O 3Å; D61-G65 PolarHBondContact OD1-N 2.96Å; K63-G65 VanDerWaalsContact C-N 3.32Å; G65-V67 PolarHBondContact O-N 2.85Å | ||
| 66 | V | 89.1 | Confident | 88.3 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.5 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | T60 | T60-V66 HydrophobicContact CG2-CG2 4.22Å |
| 67 | V | 91.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -54.7 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | L33 L59 D61 G65 L124 | L33-V67 HydrophobicContact CD1-CG1 3.92Å; L59-V67 PolarHBondContact O-N 2.63Å; D61-V67 HydrophobicContact CB-CG2 3.94Å; G65-V67 PolarHBondContact O-N 2.85Å; V67-L124 HydrophobicContact CG1-CB 4.28Å |
| 68 | C | 94.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 173.2 | 176.9 | 65 | 0 | 0 | 0 | 0 | 110.9 | L33 R38 L59 P198 | L33-C68 HydrophobicContact CD2-CB 3.9Å; R38-C68 HydrophobicContact CB-CB 4.41Å; R38-C68 CarbonylContact O-C 3.48Å; R38-C68 WeakPolarHBondContact O-CA 3.24Å; R38-C68 WeakPolarHBondContact O-CB 3.41Å; L59-C68 PolarHBondContact N-O 3.47Å; C68-P198 VanDerWaalsContact SG-CG 3.57Å |
| 69 | S | 94.4 | Very high | 88.8 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.8 | 168.4 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | R38 L40 L57 | R38-S69 PolarHBondContact O-N 3.02Å; R38-S69 PolarHBondContact O-OG 2.6Å; L40-S69 PolarHBondContact N-O 2.9Å; L57-S69 CarbonylContact O-C 3.6Å; L57-S69 WeakPolarHBondContact O-CA 3.11Å |
| 70 | T | 94.4 | Very high | 89 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142.3 | 170.1 | 56.4 | 0 | 0 | 0 | 0 | 110 | L40 S56 L57 A197 T221 | L40-T70 HydrophobicContact CB-CG2 4.3Å; L40-T70 WeakPolarHBondContact O-CA 3.22Å; S56-T70 WeakPolarHBondContact CA-O 3.25Å; L57-T70 PolarHBondContact N-O 3.48Å; L57-T70 PolarHBondContact O-N 2.83Å; T70-A197 HydrophobicContact CG2-CB 4.24Å; T70-T221 HydrophobicContact CG2-CG2 4.23Å |
| 71 | V | 94.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 152.4 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | L40 F42 L50 R54 R55 T221 | L40-V71 PolarHBondContact O-N 2.89Å; F42-V71 HydrophobicContact CD1-CG2 4Å; F42-V71 HydrophobicContact CD2-CG2 4.46Å; F42-V71 HydrophobicContact CE1-CG2 3.53Å; F42-V71 HydrophobicContact CE2-CG2 4.03Å; F42-V71 HydrophobicContact CG-CG2 4.43Å; F42-V71 HydrophobicContact CZ-CB 4.33Å; F42-V71 HydrophobicContact CZ-CG2 3.51Å; L50-V71 HydrophobicContact CD1-CG1 3.64Å; R54-V71 HydrophobicContact CB-CB 3.97Å; R54-V71 HydrophobicContact CB-CG1 4.24Å; R55-V71 CarbonylContact O-C 3.59Å; V71-T221 CarbonylContact O-C 3.32Å; V71-T221 WeakPolarHBondContact O-CB 3.38Å; V71-T221 PolarHBondContact O-OG1 3.3Å |
| 72 | C | 94.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.095 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 127 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | R54 R55 L57 | R54-C72 WeakPolarHBondContact CD-O 3.19Å; R55-C72 HydrophobicContact CB-CB 4.48Å; R55-C72 WeakPolarHBondContact O-CB 3.22Å; R55-C72 PolarHBondContact O-N 3.1Å; L57-C72 WeakPolarHBondContact CD1-SG 3.36Å |
| 73 | A | 95.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -67 | 140.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | F42 D77 V78 L220 T221 L227 | F42-A73 HydrophobicContact CE1-CB 3.83Å; F42-A73 HydrophobicContact CE2-CB 4.48Å; F42-A73 HydrophobicContact CZ-CB 3.72Å; A73-D77 HydrophobicContact CB-CB 4.25Å; A73-V78 HydrophobicContact CB-CG2 4.44Å; A73-L220 HydrophobicContact CB-CD2 4.19Å; A73-T221 PolarHBondContact N-O 2.94Å; A73-L227 HydrophobicContact CB-CD1 4.06Å; A73-L227 HydrophobicContact CB-CD2 3.95Å |
| 74 | E | 93.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 37.9 Ų | 37.9 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | trans | -110 | 177 | 168.7 | -67.7 | -177.9 | -179.7 | 0 | 0 | 111.1 | R54 A76 D77 V78 | R54-E74 IonicContact CZ-OE2 3.79Å; R54-E74 VanDerWaalsContact CZ-OE2 3.27Å; R54-E74 IonicContact NE-OE2 2.82Å; R54-E74 VanDerWaalsContact NH1-CD 3.29Å; R54-E74 IonicContact NH1-OE1 2.9Å; R54-E74 IonicContact NH1-OE2 3.48Å; R54-E74 PolarHBondContact NH1-OE2 2.82Å; R54-E74 IonicContact NH2-OE2 2.69Å; E74-A76 PolarHBondContact O-N 3.49Å; E74-D77 PolarHBondContact N-OD2 3.28Å; E74-D77 PolarHBondContact O-N 2.82Å; E74-V78 WeakPolarHBondContact O-CG2 3.32Å; E74-V78 PolarHBondContact O-N 3.09Å | ||
| 75 | D | 92.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 35.1 Ų | 35.1 | 58% | 0.578 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.9 | -32 | -172.7 | -68.3 | -22.6 | 0 | 0 | 0 | 113.6 | S79 | D75-S79 WeakPolarHBondContact O-CB 3.42Å; D75-S79 PolarHBondContact O-N 3.38Å; D75-S79 PolarHBondContact O-OG 3.32Å |
| 76 | A | 92.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 34 Ų | 34 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E74 S79 Q80 | E74-A76 PolarHBondContact O-N 3.49Å; A76-S79 PolarHBondContact O-N 2.8Å; A76-Q80 PolarHBondContact O-N 2.97Å |
| 77 | D | 94.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -39.6 | -180 | -44.1 | -44.2 | 0 | 0 | 0 | 110.5 | F42 R54 A73 E74 S79 Q80 C81 L220 | F42-D77 HydrophobicContact CD2-CB 4.22Å; F42-D77 HydrophobicContact CE2-CB 3.79Å; F42-D77 WeakPolarHBondContact CE2-OD2 3.37Å; F42-D77 HydrophobicContact CZ-CB 4.45Å; R54-D77 IonicContact CZ-OD1 3.27Å; R54-D77 IonicContact CZ-OD2 3.92Å; R54-D77 IonicContact NE-OD1 2.72Å; R54-D77 IonicContact NE-OD2 3.49Å; R54-D77 PolarHBondContact NE-OD2 2.91Å; R54-D77 IonicContact NH2-OD1 3.83Å; R54-D77 PolarHBondContact NH2-OD1 2.9Å; R54-D77 IonicContact NH2-OD2 3.88Å; R54-D77 PolarHBondContact NH2-OD2 2.9Å; A73-D77 HydrophobicContact CB-CB 4.25Å; E74-D77 PolarHBondContact N-OD2 3.28Å; E74-D77 PolarHBondContact O-N 2.82Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.4Å; D77-Q80 PolarHBondContact O-N 2.88Å; D77-C81 VanDerWaalsContact O-CB 3.28Å; D77-C81 WeakPolarHBondContact O-CB 3.3Å; D77-C81 PolarHBondContact O-N 3.12Å; D77-L220 HydrophobicContact CB-CD2 4.47Å |
| 78 | V | 95.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111 | A73 E74 C81 A82 L220 L227 V231 | A73-V78 HydrophobicContact CB-CG2 4.44Å; E74-V78 WeakPolarHBondContact O-CG2 3.32Å; E74-V78 PolarHBondContact O-N 3.09Å; V78-C81 PolarHBondContact O-N 2.91Å; V78-A82 WeakPolarHBondContact O-CB 3.33Å; V78-A82 PolarHBondContact O-N 2.99Å; V78-L220 HydrophobicContact CG2-CD1 4.3Å; V78-L227 HydrophobicContact CG2-CD1 3.72Å; V78-V231 HydrophobicContact CG1-CB 4.34Å; V78-V231 HydrophobicContact CG1-CG2 3.99Å; V78-V231 HydrophobicContact CG2-CG2 4.09Å |
| 79 | S | 93.9 | Very high | 95.1 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -41.6 | 180 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | D75 A76 D77 S83 | D75-S79 WeakPolarHBondContact O-CB 3.42Å; D75-S79 PolarHBondContact O-N 3.38Å; D75-S79 PolarHBondContact O-OG 3.32Å; A76-S79 PolarHBondContact O-N 2.8Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.4Å; S79-S83 WeakPolarHBondContact O-CB 3.45Å; S79-S83 PolarHBondContact O-N 2.86Å; S79-S83 VanDerWaalsContact O-N 3.08Å; S79-S83 PolarHBondContact O-OG 2.96Å |
| 80 | Q | 95.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.9 | -175.9 | 177.6 | -1.2 | 0 | 0 | 111.7 | A76 D77 A82 S83 S84 | A76-Q80 PolarHBondContact O-N 2.97Å; D77-Q80 PolarHBondContact O-N 2.88Å; Q80-A82 PolarHBondContact O-N 2.78Å; Q80-S83 PolarHBondContact O-N 2.99Å; Q80-S84 PolarHBondContact O-N 3.49Å |
| 81 | C | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | M44 D77 V78 S83 S84 A85 N218 L220 | M44-C81 HydrophobicContact CG-CB 4.26Å; M44-C81 WeakPolarHBondContact SD-CA 3.22Å; M44-C81 HydrophobicContact SD-CB 3.36Å; M44-C81 WeakPolarHBondContact SD-CB 3.48Å; D77-C81 VanDerWaalsContact O-CB 3.28Å; D77-C81 WeakPolarHBondContact O-CB 3.3Å; D77-C81 PolarHBondContact O-N 3.12Å; V78-C81 PolarHBondContact O-N 2.91Å; C81-S83 VanDerWaalsContact C-N 3.3Å; C81-S83 PolarHBondContact O-N 3.34Å; C81-S84 WeakPolarHBondContact O-CB 3.42Å; C81-S84 PolarHBondContact O-N 3.11Å; C81-A85 WeakPolarHBondContact O-CB 3.39Å; C81-A85 PolarHBondContact O-N 2.89Å; C81-N218 VanDerWaalsContact SG-CB 3.51Å; C81-L220 HydrophobicContact CB-CD1 3.5Å; C81-L220 HydrophobicContact CB-CD2 4.01Å; C81-L220 HydrophobicContact CB-CG 3.85Å; C81-L220 VanDerWaalsContact SG-CG 3.58Å |
| 82 | A | 94.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -36.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V78 Q80 A85 A86 I189 N234 | V78-A82 WeakPolarHBondContact O-CB 3.33Å; V78-A82 PolarHBondContact O-N 2.99Å; Q80-A82 PolarHBondContact O-N 2.78Å; A82-A85 PolarHBondContact O-N 2.92Å; A82-A86 WeakPolarHBondContact O-CB 3.35Å; A82-A86 PolarHBondContact O-N 2.84Å; A82-I189 HydrophobicContact CB-CD1 4.38Å; A82-N234 HydrophobicContact CB-CB 3.66Å; A82-N234 WeakPolarHBondContact CB-ND2 3.36Å |
| 83 | S | 95.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 51% | 0.51 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S79 Q80 C81 A86 A87 | S79-S83 WeakPolarHBondContact O-CB 3.45Å; S79-S83 PolarHBondContact O-N 2.86Å; S79-S83 VanDerWaalsContact O-N 3.08Å; S79-S83 PolarHBondContact O-OG 2.96Å; Q80-S83 PolarHBondContact O-N 2.99Å; C81-S83 VanDerWaalsContact C-N 3.3Å; C81-S83 PolarHBondContact O-N 3.34Å; S83-A86 PolarHBondContact O-N 3.02Å; S83-A87 PolarHBondContact O-N 3.38Å |
| 84 | S | 96.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | D45 Q80 C81 A86 A87 G88 G215 N218 | D45-S84 WeakPolarHBondContact CA-OG 3.34Å; D45-S84 WeakPolarHBondContact CB-OG 3.27Å; D45-S84 PolarHBondContact N-OG 3.16Å; D45-S84 VanDerWaalsContact N-OG 3.16Å; Q80-S84 PolarHBondContact O-N 3.49Å; C81-S84 WeakPolarHBondContact O-CB 3.42Å; C81-S84 PolarHBondContact O-N 3.11Å; S84-A86 PolarHBondContact O-N 3.27Å; S84-A87 PolarHBondContact O-N 3.23Å; S84-G88 PolarHBondContact O-N 2.95Å; S84-G215 VanDerWaalsContact OG-CA 3.29Å; S84-G215 WeakPolarHBondContact OG-CA 3.35Å; S84-N218 PolarHBondContact OG-OD1 3.49Å |
| 85 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | C81 A82 G88 W89 V160 S187 I189 G215 | C81-A85 WeakPolarHBondContact O-CB 3.39Å; C81-A85 PolarHBondContact O-N 2.89Å; A82-A85 PolarHBondContact O-N 2.92Å; A85-G88 PolarHBondContact O-N 3.42Å; A85-W89 WeakPolarHBondContact O-CB 3.34Å; A85-W89 PolarHBondContact O-N 3.32Å; A85-V160 HydrophobicContact CB-CG1 3.71Å; A85-V160 HydrophobicContact CB-CG2 4.49Å; A85-S187 WeakPolarHBondContact O-CB 3.32Å; A85-S187 PolarHBondContact O-OG 3.26Å; A85-I189 HydrophobicContact CB-CD1 3.63Å; A85-I189 HydrophobicContact CB-CG1 3.51Å; A85-G215 WeakPolarHBondContact CA-O 3.18Å |
| 86 | A | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 43 Ų | 43 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A82 S83 S84 W89 K90 D236 | A82-A86 WeakPolarHBondContact O-CB 3.35Å; A82-A86 PolarHBondContact O-N 2.84Å; S83-A86 PolarHBondContact O-N 3.02Å; S84-A86 PolarHBondContact O-N 3.27Å; A86-W89 PolarHBondContact O-N 3.21Å; A86-K90 WeakPolarHBondContact O-CG 3.3Å; A86-K90 PolarHBondContact O-N 3.44Å; A86-D236 HydrophobicContact CB-CB 4.01Å; A86-D236 VanDerWaalsContact CB-OD2 3.24Å; A86-D236 WeakPolarHBondContact CB-OD2 3.49Å |
| 87 | A | 96.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S83 S84 W89 K90 S91 | S83-A87 PolarHBondContact O-N 3.38Å; S84-A87 PolarHBondContact O-N 3.23Å; A87-W89 VanDerWaalsContact C-N 3.32Å; A87-W89 PolarHBondContact O-N 3.05Å; A87-K90 PolarHBondContact O-N 3.21Å; A87-S91 PolarHBondContact O-N 2.87Å |
| 88 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | S84 A85 S91 W92 | S84-G88 PolarHBondContact O-N 2.95Å; A85-G88 PolarHBondContact O-N 3.42Å; G88-S91 PolarHBondContact O-N 2.92Å; G88-S91 PolarHBondContact O-OG 2.75Å; G88-W92 WeakPolarHBondContact O-CB 3.36Å; G88-W92 PolarHBondContact O-N 2.88Å |
| 89 | W | 96.7 | Very high | 96.1 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.7 | 177.2 | 52.6 | 0 | 0 | 0 | 111.9 | A85 A86 A87 S91 W92 S93 V160 S187 | A85-W89 WeakPolarHBondContact O-CB 3.34Å; A85-W89 PolarHBondContact O-N 3.32Å; A86-W89 PolarHBondContact O-N 3.21Å; A87-W89 VanDerWaalsContact C-N 3.32Å; A87-W89 PolarHBondContact O-N 3.05Å; W89-S91 VanDerWaalsContact C-N 3.33Å; W89-S91 PolarHBondContact O-N 3.07Å; W89-W92 PolarHBondContact O-N 2.76Å; W89-S93 WeakPolarHBondContact O-CB 3.37Å; W89-S93 PolarHBondContact O-N 3.39Å; W89-S93 PolarHBondContact O-OG 2.79Å; W89-V160 HydrophobicContact CB-CG2 4.19Å; W89-S187 WeakPolarHBondContact CB-OG 3.47Å |
| 90 | K | 95.4 | Very high | 96.3 | Very high | 149 Ų | 149 | 44 Ų | 44 | 65% | 0.648 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 177.7 | -70.2 | 173.4 | -177.4 | 176.1 | 0 | 111.7 | A86 A87 S94 | A86-K90 WeakPolarHBondContact O-CG 3.3Å; A86-K90 PolarHBondContact O-N 3.44Å; A87-K90 PolarHBondContact O-N 3.21Å; K90-S94 WeakPolarHBondContact O-CB 3.17Å; K90-S94 PolarHBondContact O-OG 3.4Å; K90-S94 VanDerWaalsContact O-OG 3.04Å |
| 91 | S | 95.7 | Very high | 96.4 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.4 | -39.4 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | A87 G88 W89 S94 | A87-S91 PolarHBondContact O-N 2.87Å; G88-S91 PolarHBondContact O-N 2.92Å; G88-S91 PolarHBondContact O-OG 2.75Å; W89-S91 VanDerWaalsContact C-N 3.33Å; W89-S91 PolarHBondContact O-N 3.07Å; S91-S94 PolarHBondContact O-OG 3.32Å |
| 92 | W | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.2 | -40.2 | -175.8 | -173.4 | -120.1 | 0 | 0 | 0 | 114.5 | G88 W89 S94 L95 R100 A103 L182 L212 P213 V216 | G88-W92 WeakPolarHBondContact O-CB 3.36Å; G88-W92 PolarHBondContact O-N 2.88Å; W89-W92 PolarHBondContact O-N 2.76Å; W92-S94 VanDerWaalsContact C-N 3.28Å; W92-S94 PolarHBondContact O-N 2.93Å; W92-L95 HydrophobicContact CE3-CD1 3.51Å; W92-L95 HydrophobicContact CZ3-CD1 3.63Å; W92-L95 WeakPolarHBondContact O-CB 3.49Å; W92-L95 PolarHBondContact O-N 2.88Å; W92-R100 HydrophobicContact CD2-CG 4.03Å; W92-R100 VanDerWaalsContact CE2-CD 3.41Å; W92-R100 HydrophobicContact CE3-CG 4.19Å; W92-R100 HydrophobicContact CH2-CB 3.83Å; W92-R100 HydrophobicContact CH2-CG 3.75Å; W92-R100 HydrophobicContact CZ2-CB 3.73Å; W92-R100 HydrophobicContact CZ2-CG 3.55Å; W92-R100 HydrophobicContact CZ3-CG 4.06Å; W92-A103 HydrophobicContact CH2-CB 3.75Å; W92-A103 HydrophobicContact CZ3-CB 3.93Å; W92-L182 PolarHBondContact NE1-O 2.61Å; W92-L212 HydrophobicContact CH2-CD1 4.09Å; W92-L212 HydrophobicContact CZ2-CD1 4.49Å; W92-L212 HydrophobicContact CZ3-CD1 4.25Å; W92-P213 HydrophobicContact CE3-CG 3.95Å; W92-P213 HydrophobicContact CZ3-CG 4.22Å; W92-V216 HydrophobicContact CB-CG1 4.31Å; W92-V216 HydrophobicContact CB-CG2 3.71Å; W92-V216 HydrophobicContact CD2-CG1 3.92Å; W92-V216 HydrophobicContact CD2-CG2 4.32Å; W92-V216 HydrophobicContact CE3-CG1 4.42Å; W92-V216 HydrophobicContact CE3-CG2 4.36Å; W92-V216 HydrophobicContact CG-CG1 3.87Å; W92-V216 HydrophobicContact CG-CG2 4.08Å |
| 93 | S | 94.9 | Very high | 96.5 | Very high | 41 Ų | 41 | 46.9 Ų | 46.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70 | -26.1 | 179.7 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | W89 L95 | W89-S93 WeakPolarHBondContact O-CB 3.37Å; W89-S93 PolarHBondContact O-N 3.39Å; W89-S93 PolarHBondContact O-OG 2.79Å; S93-L95 VanDerWaalsContact C-N 3.34Å |
| 94 | S | 95.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.1 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | K90 S91 W92 | K90-S94 WeakPolarHBondContact O-CB 3.17Å; K90-S94 PolarHBondContact O-OG 3.4Å; K90-S94 VanDerWaalsContact O-OG 3.04Å; S91-S94 PolarHBondContact O-OG 3.32Å; W92-S94 VanDerWaalsContact C-N 3.28Å; W92-S94 PolarHBondContact O-N 2.93Å |
| 95 | L | 96.7 | Very high | 96.6 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -66.6 | 150.8 | 173.2 | -60.8 | -173.4 | 0 | 0 | 0 | 111 | W92 S93 Q99 R100 | W92-L95 HydrophobicContact CE3-CD1 3.51Å; W92-L95 HydrophobicContact CZ3-CD1 3.63Å; W92-L95 WeakPolarHBondContact O-CB 3.49Å; W92-L95 PolarHBondContact O-N 2.88Å; S93-L95 VanDerWaalsContact C-N 3.34Å; L95-Q99 HydrophobicContact CB-CB 4.03Å; L95-Q99 HydrophobicContact CD1-CB 4.46Å; L95-R100 HydrophobicContact CB-CG 3.97Å; L95-R100 HydrophobicContact CD1-CG 4.44Å; L95-R100 PolarHBondContact O-NH1 3.47Å |
| 96 | S | 96.5 | Very high | 96.5 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | trans | -68.8 | 158.3 | 170.3 | 76.2 | 0 | 0 | 0 | 0 | 111.4 | S98 Q99 R100 | S96-S98 PolarHBondContact O-N 2.86Å; S96-Q99 PolarHBondContact O-N 3.35Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 2.83Å; S96-Q99 PolarHBondContact OG-OE1 2.85Å; S96-R100 PolarHBondContact O-N 3.45Å | ||
| 97 | C | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.1 | -43.2 | 171.8 | -78.6 | 0 | 0 | 0 | 0 | 112.5 | R100 A101 A145 D149 | C97-R100 PolarHBondContact O-N 3.4Å; C97-R100 PolarHBondContact SG-NH2 3Å; C97-A101 WeakPolarHBondContact O-CB 3.39Å; C97-A101 PolarHBondContact O-N 3.22Å; C97-A145 CarbonylContact C-O 3.53Å; C97-A145 WeakPolarHBondContact CA-O 3.39Å; C97-A145 WeakPolarHBondContact CB-O 3.42Å; C97-A145 PolarHBondContact SG-O 3.2Å; C97-D149 PolarHBondContact SG-OD1 2.97Å; C97-D149 PolarHBondContact SG-OD2 2.82Å |
| 98 | S | 97.5 | Very high | 96.4 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 179.4 | -170.6 | 0 | 0 | 0 | 0 | 113.5 | S96 A101 K102 Q146 | S96-S98 PolarHBondContact O-N 2.86Å; S98-A101 PolarHBondContact O-N 3.21Å; S98-K102 WeakPolarHBondContact O-CB 3.29Å; S98-K102 PolarHBondContact O-N 2.96Å; S98-Q146 VanDerWaalsContact CA-OE1 3.28Å; S98-Q146 PolarHBondContact OG-OE1 2.9Å; S98-Q146 VanDerWaalsContact OG-OE1 3.07Å |
| 99 | Q | 97.6 | Very high | 96.1 | Very high | 106 Ų | 106 | 53.3 Ų | 53.3 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.6 | -75 | 170.2 | -32.9 | 0 | 0 | 111.5 | L95 S96 K102 A103 | L95-Q99 HydrophobicContact CB-CB 4.03Å; L95-Q99 HydrophobicContact CD1-CB 4.46Å; S96-Q99 PolarHBondContact O-N 3.35Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 2.83Å; S96-Q99 PolarHBondContact OG-OE1 2.85Å; Q99-K102 PolarHBondContact O-N 2.76Å; Q99-A103 PolarHBondContact O-N 3.47Å |
| 100 | R | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.6 | -71.3 | -163.3 | -65.2 | -79.3 | -14.6 | 111.9 | W92 L95 S96 C97 K102 A103 L104 A145 R148 | W92-R100 HydrophobicContact CD2-CG 4.03Å; W92-R100 VanDerWaalsContact CE2-CD 3.41Å; W92-R100 HydrophobicContact CE3-CG 4.19Å; W92-R100 HydrophobicContact CH2-CB 3.83Å; W92-R100 HydrophobicContact CH2-CG 3.75Å; W92-R100 HydrophobicContact CZ2-CB 3.73Å; W92-R100 HydrophobicContact CZ2-CG 3.55Å; W92-R100 HydrophobicContact CZ3-CG 4.06Å; L95-R100 HydrophobicContact CB-CG 3.97Å; L95-R100 HydrophobicContact CD1-CG 4.44Å; L95-R100 PolarHBondContact O-NH1 3.47Å; S96-R100 PolarHBondContact O-N 3.45Å; C97-R100 PolarHBondContact O-N 3.4Å; C97-R100 PolarHBondContact SG-NH2 3Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.01Å; R100-A103 WeakPolarHBondContact O-CB 3.4Å; R100-A103 PolarHBondContact O-N 3.15Å; R100-A103 VanDerWaalsContact O-N 3.13Å; R100-L104 PolarHBondContact O-N 3.07Å; R100-A145 HydrophobicContact CB-CB 4.45Å; R100-R148 VanDerWaalsContact NH2-NH1 3.14Å; R100-R148 VanDerWaalsContact NH2-NH2 3.11Å |
| 101 | A | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.8 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C97 S98 A103 L104 L105 S142 A145 Q146 | C97-A101 WeakPolarHBondContact O-CB 3.39Å; C97-A101 PolarHBondContact O-N 3.22Å; S98-A101 PolarHBondContact O-N 3.21Å; A101-A103 VanDerWaalsContact C-N 3.31Å; A101-A103 PolarHBondContact O-N 3.36Å; A101-L104 PolarHBondContact O-N 3.39Å; A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 PolarHBondContact O-N 3.23Å; A101-S142 VanDerWaalsContact CB-O 3.23Å; A101-S142 WeakPolarHBondContact CB-O 3.41Å; A101-A145 HydrophobicContact CB-CB 4.16Å; A101-Q146 HydrophobicContact CB-CB 3.67Å |
| 102 | K | 97.4 | Very high | 95.3 | Very high | 148 Ų | 148 | 45.3 Ų | 45.3 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.7 | -37.7 | 176.5 | -173.3 | 176.1 | -178 | 177.6 | 0 | 112.4 | S98 Q99 R100 R106 | S98-K102 WeakPolarHBondContact O-CB 3.29Å; S98-K102 PolarHBondContact O-N 2.96Å; Q99-K102 PolarHBondContact O-N 2.76Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.01Å; K102-R106 WeakPolarHBondContact O-CG 3.47Å; K102-R106 PolarHBondContact O-N 3.2Å; K102-R106 PolarHBondContact O-NE 2.91Å |
| 103 | A | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W92 Q99 R100 A101 L105 R106 | W92-A103 HydrophobicContact CH2-CB 3.75Å; W92-A103 HydrophobicContact CZ3-CB 3.93Å; Q99-A103 PolarHBondContact O-N 3.47Å; R100-A103 WeakPolarHBondContact O-CB 3.4Å; R100-A103 PolarHBondContact O-N 3.15Å; R100-A103 VanDerWaalsContact O-N 3.13Å; A101-A103 VanDerWaalsContact C-N 3.31Å; A101-A103 PolarHBondContact O-N 3.36Å; A103-L105 PolarHBondContact O-N 3.02Å; A103-R106 PolarHBondContact O-N 3.43Å |
| 104 | L | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 176 | -66.9 | 178.5 | 0 | 0 | 0 | 112.6 | R100 A101 R106 L107 A145 L182 A183 | R100-L104 PolarHBondContact O-N 3.07Å; A101-L104 PolarHBondContact O-N 3.39Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.84Å; L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 WeakPolarHBondContact O-CG 3.48Å; L104-L107 PolarHBondContact O-N 3Å; L104-L107 VanDerWaalsContact O-N 3.12Å; L104-A145 HydrophobicContact CD1-CB 4.01Å; L104-L182 HydrophobicContact CD2-CB 4.34Å; L104-A183 HydrophobicContact CD1-CB 3.85Å |
| 105 | L | 95.7 | Very high | 94.5 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 179 | -170.2 | 64.1 | 0 | 0 | 0 | 112.3 | A101 A103 L107 V108 | A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 PolarHBondContact O-N 3.23Å; A103-L105 PolarHBondContact O-N 3.02Å; L105-L107 PolarHBondContact O-N 3.34Å; L105-V108 HydrophobicContact CD1-CG2 4.3Å; L105-V108 VanDerWaalsContact O-CB 3.31Å; L105-V108 WeakPolarHBondContact O-CB 3.34Å; L105-V108 PolarHBondContact O-N 3.46Å; L105-V108 VanDerWaalsContact O-N 3.17Å |
| 106 | R | 96.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -31.6 | 172.7 | -76 | -179.4 | -69.8 | 157.1 | 2.6 | 112.5 | K102 A103 L104 V108 G109 V110 A210 G211 | K102-R106 WeakPolarHBondContact O-CG 3.47Å; K102-R106 PolarHBondContact O-N 3.2Å; K102-R106 PolarHBondContact O-NE 2.91Å; A103-R106 PolarHBondContact O-N 3.43Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.84Å; R106-V108 PolarHBondContact O-N 3.34Å; R106-G109 PolarHBondContact O-N 3.42Å; R106-V110 PolarHBondContact O-N 3.33Å; R106-A210 PolarHBondContact NH1-O 2.83Å; R106-A210 VanDerWaalsContact NH1-O 3.14Å; R106-G211 PolarHBondContact NH2-O 2.96Å; R106-G211 VanDerWaalsContact NH2-O 3.15Å |
| 107 | L | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -31.8 | 178.3 | -50.3 | -174.9 | 0 | 0 | 0 | 111.8 | L104 L105 G109 V110 L111 L138 F207 A210 | L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 WeakPolarHBondContact O-CG 3.48Å; L104-L107 PolarHBondContact O-N 3Å; L104-L107 VanDerWaalsContact O-N 3.12Å; L105-L107 PolarHBondContact O-N 3.34Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 2.92Å; L107-V110 PolarHBondContact O-N 2.9Å; L107-L111 PolarHBondContact O-N 2.64Å; L107-L138 HydrophobicContact CB-CD1 3.79Å; L107-L138 HydrophobicContact CB-CD2 3.97Å; L107-L138 HydrophobicContact CD1-CD2 3.78Å; L107-L138 HydrophobicContact CG-CD2 4.41Å; L107-F207 HydrophobicContact CB-CD1 4Å; L107-F207 HydrophobicContact CB-CE1 3.99Å; L107-F207 HydrophobicContact CD1-CB 4.3Å; L107-F207 HydrophobicContact CD1-CD1 3.9Å; L107-F207 HydrophobicContact CD1-CD2 3.89Å; L107-F207 HydrophobicContact CD1-CE1 4.15Å; L107-F207 HydrophobicContact CD1-CE2 4.14Å; L107-F207 HydrophobicContact CD1-CG 3.77Å; L107-F207 HydrophobicContact CD1-CZ 4.26Å; L107-F207 HydrophobicContact CD2-CB 3.83Å; L107-F207 HydrophobicContact CD2-CD1 3.79Å; L107-F207 HydrophobicContact CD2-CG 3.91Å; L107-F207 HydrophobicContact CG-CD1 4.1Å; L107-F207 HydrophobicContact CG-CE1 4.46Å; L107-F207 HydrophobicContact CG-CG 4.32Å; L107-A210 HydrophobicContact CD2-CB 3.52Å |
| 108 | V | 94.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L105 R106 L111 G112 V135 L138 Q139 | L105-V108 HydrophobicContact CD1-CG2 4.3Å; L105-V108 VanDerWaalsContact O-CB 3.31Å; L105-V108 WeakPolarHBondContact O-CB 3.34Å; L105-V108 PolarHBondContact O-N 3.46Å; L105-V108 VanDerWaalsContact O-N 3.17Å; R106-V108 PolarHBondContact O-N 3.34Å; V108-L111 PolarHBondContact O-N 3Å; V108-G112 PolarHBondContact O-N 3.37Å; V108-V135 HydrophobicContact CG1-CG1 3.81Å; V108-V135 HydrophobicContact CG1-CG2 4.48Å; V108-L138 HydrophobicContact CG2-CB 3.62Å; V108-L138 HydrophobicContact CG2-CD1 4.4Å; V108-Q139 HydrophobicContact CG1-CG 4.23Å; V108-Q139 HydrophobicContact CG2-CG 3.87Å |
| 109 | G | 90.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R106 L107 G112 L113 | R106-G109 PolarHBondContact O-N 3.42Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 2.92Å; G109-G112 PolarHBondContact O-N 3.02Å; G109-L113 WeakPolarHBondContact O-CG 3.39Å; G109-L113 PolarHBondContact O-N 2.92Å; G109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | V | 92.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 178.5 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | R106 L107 G112 L113 H114 L206 A210 | R106-V110 PolarHBondContact O-N 3.33Å; L107-V110 PolarHBondContact O-N 2.9Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 2.87Å; V110-L113 PolarHBondContact O-N 2.83Å; V110-H114 PolarHBondContact O-CD2 2.52Å; V110-H114 PolarHBondContact O-N 2.67Å; V110-L206 HydrophobicContact CG1-CB 3.91Å; V110-L206 HydrophobicContact CG1-CD2 4.01Å; V110-L206 HydrophobicContact CG1-CG 4.42Å; V110-A210 HydrophobicContact CB-CB 4.29Å; V110-A210 HydrophobicContact CG2-CB 3.6Å |
| 111 | L | 90.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 172.3 | -74.8 | -169.7 | 0 | 0 | 0 | 113.2 | L107 V108 L113 G115 V118 L134 V135 L138 L203 F207 | L107-L111 PolarHBondContact O-N 2.64Å; V108-L111 PolarHBondContact O-N 3Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 2.8Å; L111-G115 WeakPolarHBondContact O-CA 3.33Å; L111-G115 PolarHBondContact O-N 2.87Å; L111-V118 HydrophobicContact CD2-CG2 4.28Å; L111-L134 HydrophobicContact CD1-CB 3.78Å; L111-V135 HydrophobicContact CB-CG2 4.08Å; L111-L138 HydrophobicContact CD1-CD1 3.37Å; L111-L138 HydrophobicContact CG-CD1 4.18Å; L111-L203 HydrophobicContact CD2-CD2 3.49Å; L111-L203 VanDerWaalsContact CD2-CD2 3.49Å; L111-F207 HydrophobicContact CD1-CE1 4.42Å; L111-F207 HydrophobicContact CD2-CE1 4.26Å; L111-F207 HydrophobicContact CG-CE1 4.24Å |
| 112 | G | 87.6 | Confident | 92.8 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.1 | -40.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | V108 G109 V110 | V108-G112 PolarHBondContact O-N 3.37Å; G109-G112 PolarHBondContact O-N 3.02Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 2.87Å |
| 113 | L | 89.9 | Confident | 92.4 | Very high | 142 Ų | 142 | 42.4 Ų | 42.4 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -74.8 | -38.1 | 179.8 | -66.1 | 172.6 | 0 | 0 | 0 | 113.4 | G109 V110 L111 | G109-L113 WeakPolarHBondContact O-CG 3.39Å; G109-L113 PolarHBondContact O-N 2.92Å; G109-L113 VanDerWaalsContact O-N 3.16Å; V110-L113 PolarHBondContact O-N 2.83Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 2.8Å |
| 114 | H | 92.1 | Very high | 92 | Very high | 88 Ų | 88 | 44 Ų | 44 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -108 | 11 | -174.3 | -62.5 | -73.2 | 0 | 0 | 0 | 114 | V110 Q116 C117 V118 L206 | V110-H114 PolarHBondContact O-CD2 2.52Å; V110-H114 PolarHBondContact O-N 2.67Å; H114-Q116 PolarHBondContact O-N 2.9Å; H114-C117 PolarHBondContact O-N 2.95Å; H114-C117 VanDerWaalsContact O-N 3.11Å; H114-V118 PolarHBondContact O-N 3.44Å; H114-V118 VanDerWaalsContact O-N 3.16Å; H114-L206 HydrophobicContact CB-CD1 3.89Å; H114-L206 HydrophobicContact CB-CD2 4.13Å |
| 115 | G | 89 | Confident | 91.6 | Very high | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -33.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | L111 V118 S119 P131 | L111-G115 WeakPolarHBondContact O-CA 3.33Å; L111-G115 PolarHBondContact O-N 2.87Å; G115-V118 PolarHBondContact O-N 3.07Å; G115-S119 WeakPolarHBondContact O-CB 3.3Å; G115-S119 PolarHBondContact O-N 3.28Å; G115-P131 WeakPolarHBondContact O-CG 3.33Å |
| 116 | Q | 91.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 44.8 Ų | 44.8 | 58% | 0.575 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.7 | -50.4 | 174.6 | -180 | 175.4 | -4.1 | 0 | 0 | 111.8 | H114 V118 S119 E120 | H114-Q116 PolarHBondContact O-N 2.9Å; Q116-V118 VanDerWaalsContact C-N 3.33Å; Q116-V118 PolarHBondContact O-N 3.13Å; Q116-S119 PolarHBondContact O-N 3.25Å; Q116-E120 HydrophobicContact CG-CG 4.33Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.25Å; Q116-E120 PolarHBondContact NE2-OE1 2.8Å; Q116-E120 WeakPolarHBondContact O-CB 3.5Å; Q116-E120 WeakPolarHBondContact O-CG 3.36Å; Q116-E120 PolarHBondContact O-N 3.35Å |
| 117 | C | 92.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | T28 H114 S119 E120 L121 | T28-C117 VanDerWaalsContact OG1-CA 3.24Å; T28-C117 WeakPolarHBondContact OG1-CA 3.29Å; H114-C117 PolarHBondContact O-N 2.95Å; H114-C117 VanDerWaalsContact O-N 3.11Å; C117-S119 PolarHBondContact O-N 3.13Å; C117-E120 PolarHBondContact O-N 2.89Å; C117-L121 VanDerWaalsContact O-CB 3.27Å; C117-L121 WeakPolarHBondContact O-CB 3.45Å; C117-L121 PolarHBondContact O-N 2.88Å |
| 118 | V | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | L111 H114 G115 Q116 L121 C122 L134 L202 L203 L206 | L111-V118 HydrophobicContact CD2-CG2 4.28Å; H114-V118 PolarHBondContact O-N 3.44Å; H114-V118 VanDerWaalsContact O-N 3.16Å; G115-V118 PolarHBondContact O-N 3.07Å; Q116-V118 VanDerWaalsContact C-N 3.33Å; Q116-V118 PolarHBondContact O-N 3.13Å; V118-L121 PolarHBondContact O-N 2.9Å; V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 3.06Å; V118-C122 PolarHBondContact O-SG 2.86Å; V118-L134 HydrophobicContact CG1-CD1 3.96Å; V118-L202 HydrophobicContact CG2-CD2 3.86Å; V118-L202 HydrophobicContact CG2-CG 4.48Å; V118-L203 HydrophobicContact CG2-CD2 4.24Å; V118-L206 HydrophobicContact CG2-CD1 4.1Å |
| 119 | S | 91.6 | Very high | 89 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 179.2 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | G115 Q116 C117 L121 C122 A123 | G115-S119 WeakPolarHBondContact O-CB 3.3Å; G115-S119 PolarHBondContact O-N 3.28Å; Q116-S119 PolarHBondContact O-N 3.25Å; C117-S119 PolarHBondContact O-N 3.13Å; S119-L121 VanDerWaalsContact C-N 3.35Å; S119-C122 PolarHBondContact O-N 3.04Å; S119-A123 WeakPolarHBondContact O-CB 3.26Å; S119-A123 PolarHBondContact O-N 3.39Å |
| 120 | E | 92.5 | Very high | 88.8 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.1 | -73.7 | 177.1 | -164.4 | 0 | 0 | 110.9 | S25 T26 T28 A29 Q116 C117 A123 L124 | S25-E120 VanDerWaalsContact O-CD 3.27Å; S25-E120 WeakPolarHBondContact O-CG 3.46Å; T26-E120 WeakPolarHBondContact CA-OE2 3.4Å; T26-E120 HydrophobicContact CG2-CB 4.44Å; T28-E120 WeakPolarHBondContact CA-OE2 3.29Å; T28-E120 WeakPolarHBondContact CB-OE2 3.38Å; T28-E120 PolarHBondContact N-OE2 3.45Å; T28-E120 PolarHBondContact OG1-OE1 3.24Å; T28-E120 PolarHBondContact OG1-OE2 3.01Å; A29-E120 HydrophobicContact CB-CB 3.57Å; A29-E120 PolarHBondContact N-OE2 2.83Å; A29-E120 VanDerWaalsContact N-OE2 3.08Å; Q116-E120 HydrophobicContact CG-CG 4.33Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.25Å; Q116-E120 PolarHBondContact NE2-OE1 2.8Å; Q116-E120 WeakPolarHBondContact O-CB 3.5Å; Q116-E120 WeakPolarHBondContact O-CG 3.36Å; Q116-E120 PolarHBondContact O-N 3.35Å; C117-E120 PolarHBondContact O-N 2.89Å; E120-A123 PolarHBondContact O-N 2.88Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 3.27Å |
| 121 | L | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 178.6 | -171.4 | 59.8 | 0 | 0 | 0 | 111.7 | A29 W32 L33 C117 V118 S119 A123 L124 C125 P198 P199 L202 | A29-L121 HydrophobicContact CB-CB 3.95Å; A29-L121 HydrophobicContact CB-CD1 4.38Å; W32-L121 HydrophobicContact CE3-CD2 3.89Å; W32-L121 HydrophobicContact CH2-CD2 4.41Å; W32-L121 HydrophobicContact CZ3-CD2 3.69Å; L33-L121 HydrophobicContact CD1-CD1 4.04Å; L33-L121 HydrophobicContact CD2-CD1 4.15Å; L33-L121 HydrophobicContact CG-CD1 4.14Å; C117-L121 VanDerWaalsContact O-CB 3.27Å; C117-L121 WeakPolarHBondContact O-CB 3.45Å; C117-L121 PolarHBondContact O-N 2.88Å; V118-L121 PolarHBondContact O-N 2.9Å; S119-L121 VanDerWaalsContact C-N 3.35Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 2.82Å; L121-L124 PolarHBondContact O-N 3.06Å; L121-C125 WeakPolarHBondContact O-CB 3.4Å; L121-C125 PolarHBondContact O-N 2.72Å; L121-C125 PolarHBondContact O-SG 2.86Å; L121-P198 HydrophobicContact CD1-CB 4.08Å; L121-P198 HydrophobicContact CD2-CB 4.19Å; L121-P198 HydrophobicContact CG-CB 4.26Å; L121-P199 HydrophobicContact CD2-CB 4.28Å; L121-P199 HydrophobicContact CG-CB 4.35Å; L121-L202 HydrophobicContact CD2-CB 3.97Å; L121-L202 HydrophobicContact CD2-CD2 3.77Å |
| 122 | C | 91.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 172.1 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | V118 S119 E126 A127 L171 | V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 3.06Å; V118-C122 PolarHBondContact O-SG 2.86Å; S119-C122 PolarHBondContact O-N 3.04Å; C122-E126 PolarHBondContact O-N 2.97Å; C122-E126 VanDerWaalsContact O-N 3.07Å; C122-A127 WeakPolarHBondContact CB-O 3.24Å; C122-A127 PolarHBondContact O-N 3.39Å; C122-L171 WeakPolarHBondContact SG-CD2 2.89Å |
| 123 | A | 88.3 | Confident | 88.7 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S119 E120 L121 C125 E126 | S119-A123 WeakPolarHBondContact O-CB 3.26Å; S119-A123 PolarHBondContact O-N 3.39Å; E120-A123 PolarHBondContact O-N 2.88Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 2.82Å; A123-C125 VanDerWaalsContact C-N 3.32Å; A123-C125 PolarHBondContact O-N 3.06Å; A123-E126 PolarHBondContact O-N 2.99Å |
| 124 | L | 88.8 | Confident | 88.9 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.8 | -76.8 | 176.1 | 0 | 0 | 0 | 112.8 | T26 A29 Q30 L33 V67 E120 L121 | T26-L124 HydrophobicContact CG2-CD1 4.28Å; T26-L124 HydrophobicContact CG2-CD2 3.81Å; T26-L124 HydrophobicContact CG2-CG 3.82Å; A29-L124 HydrophobicContact CB-CD1 3.77Å; Q30-L124 HydrophobicContact CG-CD1 4.39Å; L33-L124 HydrophobicContact CD1-CD1 4.42Å; V67-L124 HydrophobicContact CG1-CB 4.28Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 3.06Å |
| 125 | C | 88.3 | Confident | 89 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.3 | -176.7 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | L59 L121 A123 A127 S195 | L59-C125 HydrophobicContact CD2-CB 3.74Å; L59-C125 VanDerWaalsContact CD2-SG 3.58Å; L121-C125 WeakPolarHBondContact O-CB 3.4Å; L121-C125 PolarHBondContact O-N 2.72Å; L121-C125 PolarHBondContact O-SG 2.86Å; A123-C125 VanDerWaalsContact C-N 3.32Å; A123-C125 PolarHBondContact O-N 3.06Å; C125-A127 PolarHBondContact O-N 2.97Å; C125-S195 VanDerWaalsContact CB-O 3.25Å; C125-S195 WeakPolarHBondContact CB-O 3.22Å; C125-S195 WeakPolarHBondContact O-CA 3.34Å; C125-S195 WeakPolarHBondContact O-CB 3.11Å; C125-S195 PolarHBondContact O-OG 2.93Å |
| 126 | E | 84.5 | Confident | 89.2 | Confident | 112 Ų | 112 | 38.8 Ų | 38.8 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.3 | -176 | -54.4 | -175.4 | 174.6 | 0 | 0 | 113.4 | S62 C122 A123 | S62-E126 WeakPolarHBondContact CB-OE1 3.2Å; S62-E126 PolarHBondContact N-OE1 3.5Å; S62-E126 VanDerWaalsContact N-OE1 3.13Å; S62-E126 PolarHBondContact OG-OE1 2.97Å; C122-E126 PolarHBondContact O-N 2.97Å; C122-E126 VanDerWaalsContact O-N 3.07Å; A123-E126 PolarHBondContact O-N 2.99Å |
| 127 | A | 81.8 | Confident | 89.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | trans | -101.3 | 87.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C122 C125 C129 S195 P199 | C122-A127 WeakPolarHBondContact CB-O 3.24Å; C122-A127 PolarHBondContact O-N 3.39Å; C125-A127 PolarHBondContact O-N 2.97Å; A127-C129 PolarHBondContact O-N 3.04Å; A127-S195 WeakPolarHBondContact CB-O 3.45Å; A127-P199 HydrophobicContact CB-CG 4.19Å | ||
| 128 | S | 77.3 | Confident | 89.6 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 43% | 0.427 | 20% | 0.197 | S | C | . | . | trans | -52.3 | 122.2 | -174.7 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | S170 L171 E299 | S128-S170 WeakPolarHBondContact O-CB 3.06Å; S128-S170 WeakPolarHBondContact OG-CB 3.44Å; S128-L171 PolarHBondContact O-N 3.46Å; S128-E299 PolarHBondContact OG-OE1 2.96Å | ||
| 129 | C | 82.8 | Confident | 89.7 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | trans | -169.2 | 138.9 | 165.8 | -165.6 | 0 | 0 | 0 | 0 | 111 | A127 L134 L171 | A127-C129 PolarHBondContact O-N 3.04Å; C129-L134 VanDerWaalsContact SG-CD2 3.5Å; C129-L134 WeakPolarHBondContact SG-CG 3.49Å; C129-L171 HydrophobicContact CB-CB 3.83Å; C129-L171 HydrophobicContact CB-CD2 4.05Å; C129-L171 HydrophobicContact CB-CG 4.25Å | ||
| 130 | S | 85.9 | Confident | 89.9 | Confident | 56 Ų | 56 | 34.9 Ų | 34.9 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | trans | -91.6 | 136.2 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | T132 A133 L134 | S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.22Å; S130-T132 PolarHBondContact OG-OG1 2.71Å; S130-A133 WeakPolarHBondContact O-CB 3.49Å; S130-A133 PolarHBondContact O-N 2.91Å; S130-L134 PolarHBondContact O-N 2.94Å | ||
| 131 | P | 88.1 | Confident | 90.2 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.3 | -34.5 | 172.5 | -26.4 | 34.1 | 0 | 0 | 0 | 113.2 | G115 A133 L134 V135 | G115-P131 WeakPolarHBondContact O-CG 3.33Å; P131-A133 VanDerWaalsContact C-N 3.33Å; P131-A133 PolarHBondContact O-N 2.64Å; P131-L134 PolarHBondContact O-N 2.87Å; P131-V135 WeakPolarHBondContact O-CG2 3.34Å; P131-V135 PolarHBondContact O-N 3.35Å |
| 132 | T | 90.4 | Very high | 90.4 | Very high | 105 Ų | 105 | 34.6 Ų | 34.6 | 64% | 0.644 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.9 | -38.4 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | S130 V135 R136 | S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.22Å; S130-T132 PolarHBondContact OG-OG1 2.71Å; T132-V135 PolarHBondContact O-N 3Å; T132-R136 WeakPolarHBondContact O-CB 3.41Å; T132-R136 PolarHBondContact O-N 2.81Å |
| 133 | A | 91 | Very high | 90.7 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 22% | 0.223 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S130 P131 V135 R136 L137 Y172 | S130-A133 WeakPolarHBondContact O-CB 3.49Å; S130-A133 PolarHBondContact O-N 2.91Å; P131-A133 VanDerWaalsContact C-N 3.33Å; P131-A133 PolarHBondContact O-N 2.64Å; A133-V135 PolarHBondContact O-N 3.01Å; A133-R136 WeakPolarHBondContact O-CB 3.48Å; A133-R136 PolarHBondContact O-N 3.17Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.33Å; A133-Y172 HydrophobicContact CB-CD2 3.86Å; A133-Y172 HydrophobicContact CB-CE2 3.98Å |
| 134 | L | 93.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.8 | -66.8 | 179.3 | 0 | 0 | 0 | 112.6 | L111 V118 C129 S130 P131 R136 L137 L138 L171 M175 L203 | L111-L134 HydrophobicContact CD1-CB 3.78Å; V118-L134 HydrophobicContact CG1-CD1 3.96Å; C129-L134 VanDerWaalsContact SG-CD2 3.5Å; C129-L134 WeakPolarHBondContact SG-CG 3.49Å; S130-L134 PolarHBondContact O-N 2.94Å; P131-L134 PolarHBondContact O-N 2.87Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.4Å; L134-L137 HydrophobicContact CD2-CD1 4.27Å; L134-L137 PolarHBondContact O-N 3.13Å; L134-L138 PolarHBondContact O-N 2.91Å; L134-L171 HydrophobicContact CD1-CD2 4.19Å; L134-M175 HydrophobicContact CD2-CB 3.94Å; L134-M175 HydrophobicContact CD2-CG 3.74Å; L134-L203 HydrophobicContact CD1-CD1 4.36Å; L134-L203 HydrophobicContact CD1-CD2 4.44Å |
| 135 | V | 94.7 | Very high | 91.5 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.3 | 162.9 | 0 | 0 | 0 | 0 | 110.4 | V108 L111 P131 T132 A133 L137 L138 Q139 | V108-V135 HydrophobicContact CG1-CG1 3.81Å; V108-V135 HydrophobicContact CG1-CG2 4.48Å; L111-V135 HydrophobicContact CB-CG2 4.08Å; P131-V135 WeakPolarHBondContact O-CG2 3.34Å; P131-V135 PolarHBondContact O-N 3.35Å; T132-V135 PolarHBondContact O-N 3Å; A133-V135 PolarHBondContact O-N 3.01Å; V135-L137 PolarHBondContact O-N 3.06Å; V135-L138 PolarHBondContact O-N 3.47Å; V135-Q139 HydrophobicContact CG1-CG 4.39Å; V135-Q139 WeakPolarHBondContact O-CG 3.32Å; V135-Q139 PolarHBondContact O-N 2.86Å |
| 136 | R | 93.8 | Very high | 92 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.7 | 175.3 | 59.1 | -175.5 | 150.9 | 5.7 | 112.1 | T132 A133 L134 L138 Q139 Y140 D444 P445 T636 | T132-R136 WeakPolarHBondContact O-CB 3.41Å; T132-R136 PolarHBondContact O-N 2.81Å; A133-R136 WeakPolarHBondContact O-CB 3.48Å; A133-R136 PolarHBondContact O-N 3.17Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.4Å; R136-L138 PolarHBondContact O-N 3Å; R136-Q139 PolarHBondContact O-N 2.78Å; R136-Y140 WeakPolarHBondContact O-CB 3.49Å; R136-Y140 PolarHBondContact O-N 2.82Å; R136-D444 IonicContact CZ-OD1 3.84Å; R136-D444 IonicContact CZ-OD2 3.25Å; R136-D444 IonicContact NE-OD1 2.97Å; R136-D444 IonicContact NE-OD2 3.42Å; R136-D444 PolarHBondContact NE-OD2 2.79Å; R136-D444 IonicContact NH2-OD1 2.99Å; R136-D444 PolarHBondContact NH2-OD1 3Å; R136-D444 IonicContact NH2-OD2 2.91Å; R136-D444 PolarHBondContact NH2-OD2 3.49Å; R136-P445 HydrophobicContact CG-CG 3.95Å; R136-T636 VanDerWaalsContact CZ-CG2 3.42Å |
| 137 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 175.2 | -67.4 | -177.6 | 0 | 0 | 0 | 111.6 | A133 L134 V135 Y140 Y141 Y172 M175 L176 L179 P445 | A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.33Å; L134-L137 HydrophobicContact CD2-CD1 4.27Å; L134-L137 PolarHBondContact O-N 3.13Å; V135-L137 PolarHBondContact O-N 3.06Å; L137-Y140 PolarHBondContact O-N 3.01Å; L137-Y141 HydrophobicContact CB-CD2 4.44Å; L137-Y141 HydrophobicContact CD2-CE2 4.21Å; L137-Y141 WeakPolarHBondContact O-CD2 3.24Å; L137-Y141 PolarHBondContact O-N 3.42Å; L137-Y172 HydrophobicContact CD1-CD2 3.84Å; L137-Y172 HydrophobicContact CD1-CE2 3.78Å; L137-Y172 HydrophobicContact CD2-CD2 4.49Å; L137-Y172 HydrophobicContact CD2-CE2 3.61Å; L137-Y172 HydrophobicContact CG-CD2 4.24Å; L137-Y172 HydrophobicContact CG-CE2 3.71Å; L137-M175 HydrophobicContact CD1-CB 3.79Å; L137-L176 HydrophobicContact CD2-CD1 3.7Å; L137-L179 HydrophobicContact CB-CD1 3.55Å; L137-L179 HydrophobicContact CD1-CD1 4.18Å; L137-P445 HydrophobicContact CD2-CB 3.58Å; L137-P445 HydrophobicContact CD2-CG 3.93Å |
| 138 | L | 95.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | -178.9 | -81.9 | 167.4 | 0 | 0 | 0 | 112.5 | L107 V108 L111 L134 V135 R136 Y140 S142 L179 F207 | L107-L138 HydrophobicContact CB-CD1 3.79Å; L107-L138 HydrophobicContact CB-CD2 3.97Å; L107-L138 HydrophobicContact CD1-CD2 3.78Å; L107-L138 HydrophobicContact CG-CD2 4.41Å; V108-L138 HydrophobicContact CG2-CB 3.62Å; V108-L138 HydrophobicContact CG2-CD1 4.4Å; L111-L138 HydrophobicContact CD1-CD1 3.37Å; L111-L138 HydrophobicContact CG-CD1 4.18Å; L134-L138 PolarHBondContact O-N 2.91Å; V135-L138 PolarHBondContact O-N 3.47Å; R136-L138 PolarHBondContact O-N 3Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.02Å; L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 3.47Å; L138-S142 PolarHBondContact O-OG 2.81Å; L138-S142 VanDerWaalsContact O-OG 3.08Å; L138-L179 HydrophobicContact CD2-CD1 3.98Å; L138-L179 HydrophobicContact CD2-CD2 3.57Å; L138-L179 HydrophobicContact CD2-CG 4.37Å; L138-L179 HydrophobicContact CG-CD1 3.87Å; L138-L179 HydrophobicContact CG-CD2 4.32Å; L138-F207 HydrophobicContact CD1-CE1 4.34Å; L138-F207 HydrophobicContact CD1-CZ 4.27Å |
| 139 | Q | 95.8 | Very high | 94 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59 | -47.3 | 176.1 | -74 | 174.5 | -21.8 | 0 | 0 | 110.9 | V108 V135 R136 S142 S143 | V108-Q139 HydrophobicContact CG1-CG 4.23Å; V108-Q139 HydrophobicContact CG2-CG 3.87Å; V135-Q139 HydrophobicContact CG1-CG 4.39Å; V135-Q139 WeakPolarHBondContact O-CG 3.32Å; V135-Q139 PolarHBondContact O-N 2.86Å; R136-Q139 PolarHBondContact O-N 2.78Å; Q139-S142 PolarHBondContact O-OG 2.9Å; Q139-S143 PolarHBondContact O-N 2.93Å; Q139-S143 PolarHBondContact O-OG 2.99Å |
| 140 | Y | 96.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 179 | -178.5 | -99.4 | 0 | 0 | 0 | 112.1 | R136 L137 L138 S142 S143 W144 P445 C446 G462 | R136-Y140 WeakPolarHBondContact O-CB 3.49Å; R136-Y140 PolarHBondContact O-N 2.82Å; L137-Y140 PolarHBondContact O-N 3.01Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.02Å; Y140-S142 PolarHBondContact O-N 3.34Å; Y140-S143 WeakPolarHBondContact O-CB 3.07Å; Y140-S143 PolarHBondContact O-N 2.92Å; Y140-W144 AromaticContact CD1-CD1 3.73Å; Y140-W144 AromaticContact CE1-CD1 3.36Å; Y140-W144 AromaticContact CE1-NE1 3.3Å; Y140-W144 VanDerWaalsContact CE1-NE1 3.3Å; Y140-W144 AromaticContact CE2-NE1 3.51Å; Y140-W144 AromaticContact CZ-CD1 3.54Å; Y140-W144 AromaticContact CZ-NE1 2.97Å; Y140-W144 PolarHBondContact O-N 3.26Å; Y140-W144 VanDerWaalsContact O-N 3.17Å; Y140-W144 PolarHBondContact OH-NE1 2.87Å; Y140-P445 HydrophobicContact CD1-CB 3.51Å; Y140-P445 HydrophobicContact CD1-CG 4.02Å; Y140-P445 HydrophobicContact CD2-CG 4.36Å; Y140-P445 HydrophobicContact CE1-CB 4.01Å; Y140-P445 VanDerWaalsContact CE1-O 3.27Å; Y140-P445 WeakPolarHBondContact CE1-O 3.46Å; Y140-P445 HydrophobicContact CG-CB 3.8Å; Y140-P445 HydrophobicContact CG-CG 3.76Å; Y140-C446 HydrophobicContact CD2-CB 4.26Å; Y140-C446 HydrophobicContact CE2-CB 3.48Å; Y140-C446 VanDerWaalsContact CE2-CB 3.48Å; Y140-C446 WeakPolarHBondContact OH-CA 3.35Å; Y140-G462 WeakPolarHBondContact OH-CA 3.36Å |
| 141 | Y | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.8 | -24.6 | -177.1 | -68.6 | -56.9 | 0 | 0 | 0 | 113.9 | L137 S143 W144 A145 L176 L179 P180 A183 P445 L466 | L137-Y141 HydrophobicContact CB-CD2 4.44Å; L137-Y141 HydrophobicContact CD2-CE2 4.21Å; L137-Y141 WeakPolarHBondContact O-CD2 3.24Å; L137-Y141 PolarHBondContact O-N 3.42Å; Y141-S143 VanDerWaalsContact C-N 3.28Å; Y141-S143 PolarHBondContact O-N 3.49Å; Y141-W144 PolarHBondContact O-N 3.14Å; Y141-A145 PolarHBondContact O-N 2.69Å; Y141-L176 HydrophobicContact CE2-CD1 4.29Å; Y141-L176 WeakPolarHBondContact OH-CD1 3.38Å; Y141-L179 HydrophobicContact CD2-CB 3.67Å; Y141-L179 HydrophobicContact CE2-CB 4.33Å; Y141-L179 HydrophobicContact CG-CB 4.34Å; Y141-P180 HydrophobicContact CD1-CB 3.83Å; Y141-P180 HydrophobicContact CE1-CB 3.58Å; Y141-P180 HydrophobicContact CE1-CG 4.04Å; Y141-P180 HydrophobicContact CE2-CB 4.44Å; Y141-P180 HydrophobicContact CE2-CG 4.14Å; Y141-P180 HydrophobicContact CG-CB 4.39Å; Y141-A183 VanDerWaalsContact O-CB 3.28Å; Y141-A183 WeakPolarHBondContact O-CB 3.33Å; Y141-P445 HydrophobicContact CE2-CB 4.25Å; Y141-L466 HydrophobicContact CD1-CD2 3.96Å; Y141-L466 HydrophobicContact CE1-CD2 3.78Å |
| 142 | S | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 169.2 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | A101 L138 Q139 Y140 A145 Q146 | A101-S142 VanDerWaalsContact CB-O 3.23Å; A101-S142 WeakPolarHBondContact CB-O 3.41Å; L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 3.47Å; L138-S142 PolarHBondContact O-OG 2.81Å; L138-S142 VanDerWaalsContact O-OG 3.08Å; Q139-S142 PolarHBondContact O-OG 2.9Å; Y140-S142 PolarHBondContact O-N 3.34Å; S142-A145 WeakPolarHBondContact O-CB 3.36Å; S142-A145 PolarHBondContact O-N 3.27Å; S142-Q146 PolarHBondContact O-N 3.07Å; S142-Q146 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 96.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 42.2 Ų | 42.2 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | Q139 Y140 Y141 Q146 L147 | Q139-S143 PolarHBondContact O-N 2.93Å; Q139-S143 PolarHBondContact O-OG 2.99Å; Y140-S143 WeakPolarHBondContact O-CB 3.07Å; Y140-S143 PolarHBondContact O-N 2.92Å; Y141-S143 VanDerWaalsContact C-N 3.28Å; Y141-S143 PolarHBondContact O-N 3.49Å; S143-Q146 WeakPolarHBondContact O-CB 3.46Å; S143-Q146 PolarHBondContact O-N 3.35Å; S143-L147 WeakPolarHBondContact O-CG 3.43Å; S143-L147 PolarHBondContact O-N 2.88Å; S143-L147 VanDerWaalsContact O-N 3.12Å |
| 144 | W | 97.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 172.3 | -81.6 | 110.4 | 0 | 0 | 0 | 113.6 | Y140 Y141 Q146 L147 R148 L151 I152 M184 Q463 L466 | Y140-W144 AromaticContact CD1-CD1 3.73Å; Y140-W144 AromaticContact CE1-CD1 3.36Å; Y140-W144 AromaticContact CE1-NE1 3.3Å; Y140-W144 VanDerWaalsContact CE1-NE1 3.3Å; Y140-W144 AromaticContact CE2-NE1 3.51Å; Y140-W144 AromaticContact CZ-CD1 3.54Å; Y140-W144 AromaticContact CZ-NE1 2.97Å; Y140-W144 PolarHBondContact O-N 3.26Å; Y140-W144 VanDerWaalsContact O-N 3.17Å; Y140-W144 PolarHBondContact OH-NE1 2.87Å; Y141-W144 PolarHBondContact O-N 3.14Å; W144-Q146 PolarHBondContact O-N 3.2Å; W144-L147 PolarHBondContact O-N 3.24Å; W144-R148 PolarHBondContact O-N 3Å; W144-L151 HydrophobicContact CH2-CD1 4.35Å; W144-L151 HydrophobicContact CZ3-CB 4.35Å; W144-L151 HydrophobicContact CZ3-CD1 4Å; W144-I152 HydrophobicContact CE3-CD1 4.47Å; W144-I152 HydrophobicContact CZ3-CD1 4.35Å; W144-M184 HydrophobicContact CB-CE 4.08Å; W144-Q463 HydrophobicContact CH2-CB 3.55Å; W144-Q463 HydrophobicContact CH2-CG 3.43Å; W144-Q463 VanDerWaalsContact CH2-CG 3.43Å; W144-Q463 HydrophobicContact CZ2-CB 3.61Å; W144-Q463 HydrophobicContact CZ2-CG 4.03Å; W144-Q463 HydrophobicContact CZ3-CB 4.35Å; W144-Q463 HydrophobicContact CZ3-CG 3.83Å; W144-L466 HydrophobicContact CB-CD1 4.04Å; W144-L466 HydrophobicContact CD2-CD1 3.46Å; W144-L466 VanDerWaalsContact CD2-CD1 3.46Å; W144-L466 HydrophobicContact CE3-CD1 3.55Å; W144-L466 HydrophobicContact CG-CD1 3.69Å; W144-L466 HydrophobicContact CZ3-CD1 4.21Å |
| 145 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C97 R100 A101 L104 Y141 S142 A183 | C97-A145 CarbonylContact C-O 3.53Å; C97-A145 WeakPolarHBondContact CA-O 3.39Å; C97-A145 WeakPolarHBondContact CB-O 3.42Å; C97-A145 PolarHBondContact SG-O 3.2Å; R100-A145 HydrophobicContact CB-CB 4.45Å; A101-A145 HydrophobicContact CB-CB 4.16Å; L104-A145 HydrophobicContact CD1-CB 4.01Å; Y141-A145 PolarHBondContact O-N 2.69Å; S142-A145 WeakPolarHBondContact O-CB 3.36Å; S142-A145 PolarHBondContact O-N 3.27Å; A145-A183 HydrophobicContact CB-CB 3.91Å; A145-A183 WeakPolarHBondContact CB-O 3.18Å |
| 146 | Q | 97.9 | Very high | 95.3 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 177.2 | 179.6 | 63.6 | 60 | 0 | 0 | 112 | S98 A101 S142 S143 W144 | S98-Q146 VanDerWaalsContact CA-OE1 3.28Å; S98-Q146 PolarHBondContact OG-OE1 2.9Å; S98-Q146 VanDerWaalsContact OG-OE1 3.07Å; A101-Q146 HydrophobicContact CB-CB 3.67Å; S142-Q146 PolarHBondContact O-N 3.07Å; S142-Q146 VanDerWaalsContact O-N 3.15Å; S143-Q146 WeakPolarHBondContact O-CB 3.46Å; S143-Q146 PolarHBondContact O-N 3.35Å; W144-Q146 PolarHBondContact O-N 3.2Å |
| 147 | L | 97 | Very high | 95.4 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97.3 | -8.9 | -170.8 | -65 | 173.8 | 0 | 0 | 0 | 114.7 | S143 W144 D149 T150 L151 | S143-L147 WeakPolarHBondContact O-CG 3.43Å; S143-L147 PolarHBondContact O-N 2.88Å; S143-L147 VanDerWaalsContact O-N 3.12Å; W144-L147 PolarHBondContact O-N 3.24Å; L147-D149 PolarHBondContact O-N 3.32Å; L147-T150 PolarHBondContact O-N 3.32Å; L147-L151 HydrophobicContact CB-CD1 3.94Å; L147-L151 HydrophobicContact CB-CG 4.17Å; L147-L151 HydrophobicContact CD1-CD1 3.94Å; L147-L151 HydrophobicContact CG-CD1 4.42Å; L147-L151 PolarHBondContact O-N 3.42Å |
| 148 | R | 95.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -47.3 | -57 | -172.7 | -175.5 | -163.6 | 70.9 | -176.8 | 0.4 | 113.3 | R100 W144 T150 I152 M184 | R100-R148 VanDerWaalsContact NH2-NH1 3.14Å; R100-R148 VanDerWaalsContact NH2-NH2 3.11Å; W144-R148 PolarHBondContact O-N 3Å; R148-T150 PolarHBondContact O-N 3.42Å; R148-I152 CarbonylContact O-C 3.56Å; R148-I152 VanDerWaalsContact O-CA 3.31Å; R148-I152 WeakPolarHBondContact O-CA 3.4Å; R148-I152 WeakPolarHBondContact O-CB 3.45Å; R148-I152 PolarHBondContact O-N 3.21Å; R148-M184 HydrophobicContact CB-CE 4.24Å; R148-M184 HydrophobicContact CB-SD 4.49Å; R148-M184 HydrophobicContact CG-CE 4.26Å; R148-M184 HydrophobicContact CG-SD 3.87Å; R148-M184 PolarHBondContact NH1-O 2.98Å |
| 149 | D | 92.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.9 | -18.7 | -174.6 | -62.8 | -13 | 0 | 0 | 0 | 112.6 | C97 L147 | C97-D149 PolarHBondContact SG-OD1 2.97Å; C97-D149 PolarHBondContact SG-OD2 2.82Å; L147-D149 PolarHBondContact O-N 3.32Å |
| 150 | T | 95 | Very high | 95.3 | Very high | 109 Ų | 109 | 38.3 Ų | 38.3 | 67% | 0.669 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -86.8 | -43.5 | 178.3 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | L147 R148 | L147-T150 PolarHBondContact O-N 3.32Å; R148-T150 PolarHBondContact O-N 3.42Å |
| 151 | L | 94.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 37 Ų | 37 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -99.2 | -18.7 | -174.6 | -62.9 | -174.6 | 0 | 0 | 0 | 114 | W144 L147 P153 | W144-L151 HydrophobicContact CH2-CD1 4.35Å; W144-L151 HydrophobicContact CZ3-CB 4.35Å; W144-L151 HydrophobicContact CZ3-CD1 4Å; L147-L151 HydrophobicContact CB-CD1 3.94Å; L147-L151 HydrophobicContact CB-CG 4.17Å; L147-L151 HydrophobicContact CD1-CD1 3.94Å; L147-L151 HydrophobicContact CG-CD1 4.42Å; L147-L151 PolarHBondContact O-N 3.42Å; L151-P153 WeakPolarHBondContact O-CD 3.41Å |
| 152 | I | 94 | Very high | 95.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -126.8 | 60.9 | -179.6 | -45.5 | 179.1 | 0 | 0 | 0 | 109.7 | W144 R148 W155 Q463 L466 Y467 L470 | W144-I152 HydrophobicContact CE3-CD1 4.47Å; W144-I152 HydrophobicContact CZ3-CD1 4.35Å; R148-I152 CarbonylContact O-C 3.56Å; R148-I152 VanDerWaalsContact O-CA 3.31Å; R148-I152 WeakPolarHBondContact O-CA 3.4Å; R148-I152 WeakPolarHBondContact O-CB 3.45Å; R148-I152 PolarHBondContact O-N 3.21Å; I152-W155 HydrophobicContact CG2-CB 3.86Å; I152-W155 HydrophobicContact CG2-CG 3.77Å; I152-Q463 HydrophobicContact CD1-CG 4.39Å; I152-L466 HydrophobicContact CD1-CD1 4Å; I152-Y467 HydrophobicContact CD1-CE2 4.4Å; I152-Y467 HydrophobicContact CG2-CE1 3.68Å; I152-L470 HydrophobicContact CD1-CD1 4.25Å; I152-L470 HydrophobicContact CG2-CD1 3.86Å |
| 153 | P | 92.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 147.9 | -178.4 | 31.2 | -36.4 | 0 | 0 | 0 | 111.7 | L151 W155 | L151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-W155 VanDerWaalsContact C-N 3.31Å; P153-W155 PolarHBondContact O-N 2.97Å |
| 154 | G | 90.9 | Very high | 95.5 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 16.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S473 S776 | G154-S473 PolarHBondContact O-N 3.49Å; G154-S473 PolarHBondContact O-OG 3.42Å; G154-S473 VanDerWaalsContact O-OG 3.09Å; G154-S776 VanDerWaalsContact O-CB 3.3Å; G154-S776 WeakPolarHBondContact O-CB 3.49Å; G154-S776 PolarHBondContact O-OG 2.89Å; G154-S776 VanDerWaalsContact O-OG 3.1Å |
| 155 | W | 94.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.2 | 172.8 | -67.5 | 84.2 | 0 | 0 | 0 | 111 | I152 P153 Y467 L470 R471 P472 S473 E779 D780 | I152-W155 HydrophobicContact CG2-CB 3.86Å; I152-W155 HydrophobicContact CG2-CG 3.77Å; P153-W155 VanDerWaalsContact C-N 3.31Å; P153-W155 PolarHBondContact O-N 2.97Å; W155-Y467 AromaticContact CD2-CD1 3.86Å; W155-Y467 HydrophobicContact CD2-CD1 3.86Å; W155-Y467 AromaticContact CD2-CE1 3.87Å; W155-Y467 HydrophobicContact CD2-CE1 3.87Å; W155-Y467 AromaticContact CE2-CD1 3.71Å; W155-Y467 AromaticContact CE2-CE1 3.48Å; W155-Y467 VanDerWaalsContact CE2-CE1 3.48Å; W155-Y467 AromaticContact CE3-CD1 3.94Å; W155-Y467 HydrophobicContact CE3-CD1 3.94Å; W155-Y467 HydrophobicContact CE3-CE1 4.42Å; W155-Y467 HydrophobicContact CG-CE1 4.26Å; W155-Y467 AromaticContact CH2-CD1 3.74Å; W155-Y467 HydrophobicContact CH2-CD1 3.74Å; W155-Y467 HydrophobicContact CH2-CE1 4.29Å; W155-Y467 AromaticContact CZ2-CD1 3.66Å; W155-Y467 HydrophobicContact CZ2-CD1 3.66Å; W155-Y467 AromaticContact CZ2-CE1 3.73Å; W155-Y467 HydrophobicContact CZ2-CE1 3.73Å; W155-Y467 AromaticContact CZ3-CD1 3.87Å; W155-Y467 HydrophobicContact CZ3-CD1 3.87Å; W155-Y467 AromaticContact NE1-CE1 3.61Å; W155-L470 HydrophobicContact CB-CB 4.25Å; W155-L470 HydrophobicContact CB-CD1 4.11Å; W155-L470 HydrophobicContact CD2-CB 4.48Å; W155-L470 HydrophobicContact CE3-CB 3.73Å; W155-L470 HydrophobicContact CZ3-CB 4.48Å; W155-R471 WeakPolarHBondContact CA-O 3.16Å; W155-R471 VanDerWaalsContact CE3-C 3.44Å; W155-P472 HydrophobicContact CE3-CG 4.29Å; W155-P472 HydrophobicContact CH2-CG 3.99Å; W155-P472 HydrophobicContact CZ2-CG 4.46Å; W155-P472 HydrophobicContact CZ3-CG 3.9Å; W155-S473 PolarHBondContact N-OG 3.38Å; W155-E779 HydrophobicContact CZ2-CB 4.14Å; W155-E779 HydrophobicContact CZ2-CG 4.08Å; W155-E779 PolarHBondContact NE1-OE2 3.36Å; W155-D780 HydrophobicContact CH2-CB 3.71Å; W155-D780 HydrophobicContact CZ2-CB 4.23Å |
| 156 | T | 93.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.9 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | L470 R471 S473 | T156-L470 CarbonylContact O-C 3.46Å; T156-L470 VanDerWaalsContact O-CA 3.28Å; T156-L470 WeakPolarHBondContact O-CA 3.41Å; T156-R471 PolarHBondContact N-O 3.36Å; T156-R471 PolarHBondContact O-N 2.85Å; T156-R471 PolarHBondContact OG1-O 3.18Å; T156-S473 WeakPolarHBondContact CG2-OG 3.24Å |
| 157 | P | 95.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 145.2 | 175.7 | 0.6 | -3.3 | 0 | 0 | 0 | 112.3 | M184 N186 | P157-M184 WeakPolarHBondContact CB-O 3.35Å; P157-M184 VanDerWaalsContact CG-O 3.32Å; P157-M184 WeakPolarHBondContact CG-O 3.34Å; P157-N186 VanDerWaalsContact CB-OD1 3.23Å; P157-N186 WeakPolarHBondContact CB-OD1 3.39Å |
| 158 | V | 93.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -67 | -36.1 | 178 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | V161 N186 R238 L239 F469 L470 R471 | V158-V161 HydrophobicContact CG2-CG2 3.56Å; V158-N186 VanDerWaalsContact CG2-OD1 3.23Å; V158-N186 WeakPolarHBondContact CG2-OD1 3.34Å; V158-N186 PolarHBondContact N-OD1 3.24Å; V158-R238 HydrophobicContact CB-CB 4.28Å; V158-R238 WeakPolarHBondContact O-CB 3.1Å; V158-R238 VanDerWaalsContact O-CG 3.27Å; V158-R238 WeakPolarHBondContact O-CG 3.28Å; V158-L239 HydrophobicContact CG2-CB 4.31Å; V158-F469 PolarHBondContact N-O 3.29Å; V158-L470 WeakPolarHBondContact CG1-O 3.49Å; V158-R471 HydrophobicContact CG1-CB 4.28Å | ||
| 159 | G | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 137.1 | -129.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N186 S187 | G159-N186 PolarHBondContact N-OD1 2.7Å; G159-N186 WeakPolarHBondContact O-CA 3.33Å; G159-N186 WeakPolarHBondContact O-CB 3.36Å; G159-N186 PolarHBondContact O-OD1 3.04Å; G159-S187 PolarHBondContact O-N 3.43Å |
| 160 | V | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.8 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | A85 W89 I189 D236 V237 R238 | A85-V160 HydrophobicContact CB-CG1 3.71Å; A85-V160 HydrophobicContact CB-CG2 4.49Å; W89-V160 HydrophobicContact CB-CG2 4.19Å; V160-I189 HydrophobicContact CG1-CD1 4.02Å; V160-I189 HydrophobicContact CG1-CG1 4.21Å; V160-D236 WeakPolarHBondContact CB-O 3.45Å; V160-D236 HydrophobicContact CG2-CB 4.07Å; V160-V237 HydrophobicContact CG1-CG2 4.18Å; V160-R238 PolarHBondContact O-N 3.3Å |
| 161 | V | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.6 | 180 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | V158 V163 N186 S187 V188 I189 L239 F469 | V158-V161 HydrophobicContact CG2-CG2 3.56Å; V161-V163 HydrophobicContact CG1-CG2 4.1Å; V161-N186 HydrophobicContact CG2-CB 3.82Å; V161-S187 PolarHBondContact N-O 3.18Å; V161-V188 WeakPolarHBondContact O-CA 3.26Å; V161-I189 PolarHBondContact O-N 3.14Å; V161-L239 HydrophobicContact CG1-CB 4.37Å; V161-L239 HydrophobicContact CG1-CD2 4.05Å; V161-L239 HydrophobicContact CG1-CG 4.37Å; V161-L239 HydrophobicContact CG2-CB 4.32Å; V161-L239 HydrophobicContact CG2-CD2 4.34Å; V161-F469 HydrophobicContact CG1-CD1 4.23Å; V161-F469 HydrophobicContact CG1-CE1 4.09Å; V161-F469 HydrophobicContact CG2-CD1 4.23Å |
| 162 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.3 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | V164 I189 V191 V231 V237 L239 I240 A241 | V162-V164 HydrophobicContact CG1-CG2 3.75Å; V162-I189 CarbonylContact C-O 3.47Å; V162-I189 WeakPolarHBondContact CA-O 3.34Å; V162-I189 HydrophobicContact CG2-CB 4.37Å; V162-V191 HydrophobicContact CG1-CG2 4.44Å; V162-V231 HydrophobicContact CG1-CG1 4.4Å; V162-V231 HydrophobicContact CG2-CB 4.47Å; V162-V231 HydrophobicContact CG2-CG1 3.69Å; V162-V237 HydrophobicContact CB-CG1 4.43Å; V162-V237 HydrophobicContact CG2-CB 4.37Å; V162-V237 HydrophobicContact CG2-CG1 3.58Å; V162-V237 HydrophobicContact CG2-CG2 3.8Å; V162-L239 PolarHBondContact N-O 3.33Å; V162-I240 CarbonylContact O-C 3.54Å; V162-I240 WeakPolarHBondContact O-CA 3.4Å; V162-A241 PolarHBondContact O-N 3.48Å |
| 163 | V | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.5 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V161 L174 K177 V178 V188 I189 V190 V191 A241 | V161-V163 HydrophobicContact CG1-CG2 4.1Å; V163-L174 HydrophobicContact CG1-CD1 3.57Å; V163-K177 HydrophobicContact CG1-CB 3.84Å; V163-K177 HydrophobicContact CG1-CD 4.34Å; V163-K177 HydrophobicContact CG2-CB 4.27Å; V163-V178 HydrophobicContact CB-CG2 4.24Å; V163-V178 HydrophobicContact CG1-CG2 4.1Å; V163-V178 HydrophobicContact CG2-CG2 4.22Å; V163-V188 HydrophobicContact CB-CG1 4.23Å; V163-V188 HydrophobicContact CG2-CG1 3.68Å; V163-I189 PolarHBondContact N-O 3.48Å; V163-V190 CarbonylContact O-C 3.57Å; V163-V190 WeakPolarHBondContact O-CA 3.34Å; V163-V191 PolarHBondContact O-N 3.37Å; V163-A241 CarbonylContact C-O 3.29Å; V163-A241 VanDerWaalsContact CA-O 3.3Å; V163-A241 WeakPolarHBondContact CA-O 3.46Å; V163-A241 HydrophobicContact CG2-CB 4.47Å |
| 164 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | V162 V191 V225 I240 A241 Y242 C243 L252 | V162-V164 HydrophobicContact CG1-CG2 3.75Å; V164-V191 WeakPolarHBondContact CA-O 3.44Å; V164-V191 HydrophobicContact CG1-CB 4.32Å; V164-V191 HydrophobicContact CG1-CG1 4.47Å; V164-V191 HydrophobicContact CG2-CB 4.37Å; V164-V225 HydrophobicContact CG1-CG2 3.5Å; V164-I240 HydrophobicContact CG2-CG2 4.09Å; V164-A241 PolarHBondContact N-O 2.86Å; V164-Y242 HydrophobicContact CB-CD2 4.1Å; V164-Y242 HydrophobicContact CG1-CD2 4.17Å; V164-Y242 WeakPolarHBondContact O-CA 3.35Å; V164-C243 PolarHBondContact O-N 3.29Å; V164-L252 HydrophobicContact CB-CD2 4.04Å; V164-L252 HydrophobicContact CG1-CD2 4.24Å; V164-L252 HydrophobicContact CG2-CD2 4.11Å |
| 165 | S | 95.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.8 | 171.5 | 67 | 0 | 0 | 0 | 0 | 114.3 | V191 G193 C243 | S165-V191 PolarHBondContact N-O 3.12Å; S165-V191 VanDerWaalsContact N-O 3.08Å; S165-G193 PolarHBondContact O-N 2.98Å; S165-G193 PolarHBondContact OG-N 3.49Å; S165-C243 WeakPolarHBondContact CA-O 3.22Å; S165-C243 WeakPolarHBondContact CB-O 3.31Å |
| 166 | S | 92.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | trans | -70.1 | 165.1 | 170.4 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | D168 C169 G193 Y242 C243 G244 N245 D248 | S166-D168 VanDerWaalsContact C-N 3.29Å; S166-D168 PolarHBondContact O-N 2.84Å; S166-C169 VanDerWaalsContact O-CB 3.32Å; S166-C169 WeakPolarHBondContact O-CB 3.36Å; S166-C169 PolarHBondContact O-N 2.79Å; S166-C169 VanDerWaalsContact O-N 3.16Å; S166-G193 WeakPolarHBondContact O-CA 3.31Å; S166-Y242 WeakPolarHBondContact CB-OH 3.47Å; S166-C243 PolarHBondContact N-O 3.32Å; S166-C243 VanDerWaalsContact N-O 3.16Å; S166-G244 WeakPolarHBondContact OG-CA 3.45Å; S166-N245 WeakPolarHBondContact CB-ND2 3.35Å; S166-N245 PolarHBondContact OG-N 3.28Å; S166-D248 VanDerWaalsContact CB-OD2 3.3Å; S166-D248 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 167 | H | 87.4 | Confident | 93.6 | Very high | 59 Ų | 59 | 14 Ų | 14 | 27% | 0.273 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -44.3 | -179.1 | -64.7 | -65 | 0 | 0 | 0 | 113.7 | C169 R194 S195 | H167-C169 VanDerWaalsContact C-N 3.34Å; H167-C169 PolarHBondContact O-N 2.97Å; H167-R194 WeakPolarHBondContact ND1-CB 3.42Å; H167-R194 PolarHBondContact ND1-N 3.36Å; H167-S195 WeakPolarHBondContact O-CB 3.23Å; H167-S195 PolarHBondContact O-OG 3.46Å |
| 168 | D | 80.2 | Confident | 93.7 | Very high | 111 Ų | 111 | 13.3 Ų | 13.3 | 59% | 0.594 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10.3 | -174 | -39.5 | -61.7 | 0 | 0 | 0 | 113.7 | S166 V269 | S166-D168 VanDerWaalsContact C-N 3.29Å; S166-D168 PolarHBondContact O-N 2.84Å; D168-V269 HydrophobicContact CB-CG1 4.27Å |
| 169 | C | 87.8 | Confident | 93.9 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | trans | -74.5 | 135.9 | -178.1 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | S166 H167 | S166-C169 VanDerWaalsContact O-CB 3.32Å; S166-C169 WeakPolarHBondContact O-CB 3.36Å; S166-C169 PolarHBondContact O-N 2.79Å; S166-C169 VanDerWaalsContact O-N 3.16Å; H167-C169 VanDerWaalsContact C-N 3.34Å; H167-C169 PolarHBondContact O-N 2.97Å | ||
| 170 | S | 89.3 | Confident | 94.1 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 6% | 0.056 | 7% | 0.067 | C | C | . | . | trans | -66.1 | 148.9 | 177.6 | 73.6 | 0 | 0 | 0 | 0 | 111.7 | S128 Y172 S173 L174 | S128-S170 WeakPolarHBondContact O-CB 3.06Å; S128-S170 WeakPolarHBondContact OG-CB 3.44Å; S170-Y172 PolarHBondContact O-N 2.89Å; S170-S173 PolarHBondContact O-N 2.79Å; S170-S173 WeakPolarHBondContact OG-CB 3.46Å; S170-S173 PolarHBondContact OG-N 2.87Å; S170-S173 VanDerWaalsContact OG-N 3.14Å; S170-S173 PolarHBondContact OG-OG 3.5Å; S170-L174 PolarHBondContact O-N 2.75Å; S170-L174 VanDerWaalsContact O-N 3.17Å | ||
| 171 | L | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.7 | -29.8 | 175.6 | 174.7 | 70.9 | 0 | 0 | 0 | 111 | C122 S128 C129 L134 L174 M175 P199 L203 | C122-L171 WeakPolarHBondContact SG-CD2 2.89Å; S128-L171 PolarHBondContact O-N 3.46Å; C129-L171 HydrophobicContact CB-CB 3.83Å; C129-L171 HydrophobicContact CB-CD2 4.05Å; C129-L171 HydrophobicContact CB-CG 4.25Å; L134-L171 HydrophobicContact CD1-CD2 4.19Å; L171-L174 HydrophobicContact CD1-CD2 4.34Å; L171-L174 PolarHBondContact O-N 2.86Å; L171-M175 HydrophobicContact CD1-CE 4.28Å; L171-M175 HydrophobicContact CD1-CG 4.16Å; L171-M175 HydrophobicContact CG-CG 4.32Å; L171-M175 WeakPolarHBondContact O-CB 3.4Å; L171-M175 WeakPolarHBondContact O-CG 3.37Å; L171-M175 PolarHBondContact O-N 3.14Å; L171-P199 HydrophobicContact CD2-CB 3.88Å; L171-P199 HydrophobicContact CD2-CG 4.3Å; L171-L203 HydrophobicContact CD1-CD1 4.04Å; L171-L203 HydrophobicContact CD2-CD1 4.09Å; L171-L203 HydrophobicContact CG-CD1 4.42Å |
| 172 | Y | 92.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 12.7 Ų | 12.7 | 12% | 0.118 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.5 | -52 | 173.4 | -178.6 | -93.3 | 0 | 0 | 0 | 111.8 | A133 L137 S170 L174 M175 L176 S443 | A133-Y172 HydrophobicContact CB-CD2 3.86Å; A133-Y172 HydrophobicContact CB-CE2 3.98Å; L137-Y172 HydrophobicContact CD1-CD2 3.84Å; L137-Y172 HydrophobicContact CD1-CE2 3.78Å; L137-Y172 HydrophobicContact CD2-CD2 4.49Å; L137-Y172 HydrophobicContact CD2-CE2 3.61Å; L137-Y172 HydrophobicContact CG-CD2 4.24Å; L137-Y172 HydrophobicContact CG-CE2 3.71Å; S170-Y172 PolarHBondContact O-N 2.89Å; Y172-L174 VanDerWaalsContact C-N 3.26Å; Y172-L174 PolarHBondContact O-N 3.04Å; Y172-M175 PolarHBondContact O-N 3Å; Y172-M175 VanDerWaalsContact O-N 3.15Å; Y172-L176 HydrophobicContact CE1-CD2 4.32Å; Y172-L176 WeakPolarHBondContact O-CB 3.37Å; Y172-L176 PolarHBondContact O-N 3.32Å; Y172-S443 WeakPolarHBondContact CE1-OG 3.35Å; Y172-S443 VanDerWaalsContact CZ-OG 3.32Å; Y172-S443 PolarHBondContact OH-OG 3.44Å; Y172-S443 VanDerWaalsContact OH-OG 3.04Å |
| 173 | S | 91.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 12.7 Ų | 12.7 | 17% | 0.168 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 179.4 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | S170 | S170-S173 PolarHBondContact O-N 2.79Å; S170-S173 WeakPolarHBondContact OG-CB 3.46Å; S170-S173 PolarHBondContact OG-N 2.87Å; S170-S173 VanDerWaalsContact OG-N 3.14Å; S170-S173 PolarHBondContact OG-OG 3.5Å |
| 174 | L | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -49.8 | 173.3 | -178.3 | 66 | 0 | 0 | 0 | 111.7 | V163 S170 L171 Y172 L176 K177 V178 V190 P192 A196 T200 | V163-L174 HydrophobicContact CG1-CD1 3.57Å; S170-L174 PolarHBondContact O-N 2.75Å; S170-L174 VanDerWaalsContact O-N 3.17Å; L171-L174 HydrophobicContact CD1-CD2 4.34Å; L171-L174 PolarHBondContact O-N 2.86Å; Y172-L174 VanDerWaalsContact C-N 3.26Å; Y172-L174 PolarHBondContact O-N 3.04Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 3.14Å; L174-K177 PolarHBondContact O-N 3.43Å; L174-V178 HydrophobicContact CG-CG2 4.45Å; L174-V178 WeakPolarHBondContact O-CG2 3.38Å; L174-V178 PolarHBondContact O-N 3.44Å; L174-V178 VanDerWaalsContact O-N 3.14Å; L174-V190 HydrophobicContact CD1-CG1 3.87Å; L174-V190 HydrophobicContact CD2-CG1 4.01Å; L174-V190 HydrophobicContact CG-CG1 4.33Å; L174-P192 HydrophobicContact CD2-CB 4.19Å; L174-A196 HydrophobicContact CD2-CB 4.3Å; L174-T200 HydrophobicContact CD2-CG2 4.15Å; L174-T200 VanDerWaalsContact CD2-OG1 3.31Å; L174-T200 WeakPolarHBondContact CD2-OG1 3.33Å |
| 175 | M | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.015 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.8 | -26.3 | -179.5 | -70.5 | -61.4 | 107.2 | 0 | 0 | 113.1 | L134 L137 L171 Y172 K177 V178 L179 T200 L203 | L134-M175 HydrophobicContact CD2-CB 3.94Å; L134-M175 HydrophobicContact CD2-CG 3.74Å; L137-M175 HydrophobicContact CD1-CB 3.79Å; L171-M175 HydrophobicContact CD1-CE 4.28Å; L171-M175 HydrophobicContact CD1-CG 4.16Å; L171-M175 HydrophobicContact CG-CG 4.32Å; L171-M175 WeakPolarHBondContact O-CB 3.4Å; L171-M175 WeakPolarHBondContact O-CG 3.37Å; L171-M175 PolarHBondContact O-N 3.14Å; Y172-M175 PolarHBondContact O-N 3Å; Y172-M175 VanDerWaalsContact O-N 3.15Å; M175-K177 PolarHBondContact O-N 3.42Å; M175-K177 VanDerWaalsContact O-N 3.16Å; M175-V178 HydrophobicContact CE-CB 3.96Å; M175-V178 HydrophobicContact CE-CG1 4.31Å; M175-V178 HydrophobicContact CE-CG2 3.7Å; M175-V178 PolarHBondContact O-N 3.17Å; M175-V178 HydrophobicContact SD-CB 4.23Å; M175-V178 HydrophobicContact SD-CG1 4.45Å; M175-L179 HydrophobicContact CB-CD1 4.27Å; M175-L179 HydrophobicContact CB-CG 4.43Å; M175-L179 WeakPolarHBondContact O-CB 3.21Å; M175-L179 WeakPolarHBondContact O-CG 3.22Å; M175-L179 PolarHBondContact O-N 2.79Å; M175-T200 HydrophobicContact CE-CG2 4.39Å; M175-L203 HydrophobicContact CG-CD1 4.24Å; M175-L203 HydrophobicContact SD-CD1 3.92Å |
| 176 | L | 94.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 12.4 Ų | 12.4 | 9% | 0.089 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.3 | -16.2 | 171.9 | -165.6 | 67.8 | 0 | 0 | 0 | 112.5 | L137 Y141 Y172 L174 P180 D460 | L137-L176 HydrophobicContact CD2-CD1 3.7Å; Y141-L176 HydrophobicContact CE2-CD1 4.29Å; Y141-L176 WeakPolarHBondContact OH-CD1 3.38Å; Y172-L176 HydrophobicContact CE1-CD2 4.32Å; Y172-L176 WeakPolarHBondContact O-CB 3.37Å; Y172-L176 PolarHBondContact O-N 3.32Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 3.14Å; L176-P180 VanDerWaalsContact O-CD 3.28Å; L176-P180 WeakPolarHBondContact O-CD 3.2Å; L176-P180 WeakPolarHBondContact O-CG 3.19Å; L176-D460 HydrophobicContact CD2-CB 3.75Å; L176-D460 HydrophobicContact CG-CB 4.13Å |
| 177 | K | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -102.1 | -41.2 | 171.4 | -66.6 | -179.3 | 178.5 | -67.6 | 0 | 113 | V163 L174 M175 P180 A181 A241 Y242 C243 S266 D460 F469 | V163-K177 HydrophobicContact CG1-CB 3.84Å; V163-K177 HydrophobicContact CG1-CD 4.34Å; V163-K177 HydrophobicContact CG2-CB 4.27Å; L174-K177 PolarHBondContact O-N 3.43Å; M175-K177 PolarHBondContact O-N 3.42Å; M175-K177 VanDerWaalsContact O-N 3.16Å; K177-P180 WeakPolarHBondContact O-CD 3.4Å; K177-P180 WeakPolarHBondContact O-CG 3.49Å; K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 2.69Å; K177-A241 HydrophobicContact CD-CB 4.07Å; K177-Y242 VanDerWaalsContact CE-O 3.23Å; K177-Y242 WeakPolarHBondContact CE-O 3.44Å; K177-C243 HydrophobicContact CD-CB 4.06Å; K177-S266 PolarHBondContact NZ-OG 3.06Å; K177-D460 WeakPolarHBondContact CE-OD2 3.07Å; K177-D460 IonicContact NZ-OD1 3.26Å; K177-D460 PolarHBondContact NZ-OD1 3.46Å; K177-D460 IonicContact NZ-OD2 3.39Å; K177-D460 PolarHBondContact NZ-OD2 3.34Å; K177-F469 HydrophobicContact CB-CZ 4.36Å; K177-F469 WeakPolarHBondContact O-CZ 3.5Å |
| 178 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64 | -49.4 | -177.6 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | V163 L174 M175 A181 L182 V188 V190 L217 | V163-V178 HydrophobicContact CB-CG2 4.24Å; V163-V178 HydrophobicContact CG1-CG2 4.1Å; V163-V178 HydrophobicContact CG2-CG2 4.22Å; L174-V178 HydrophobicContact CG-CG2 4.45Å; L174-V178 WeakPolarHBondContact O-CG2 3.38Å; L174-V178 PolarHBondContact O-N 3.44Å; L174-V178 VanDerWaalsContact O-N 3.14Å; M175-V178 HydrophobicContact CE-CB 3.96Å; M175-V178 HydrophobicContact CE-CG1 4.31Å; M175-V178 HydrophobicContact CE-CG2 3.7Å; M175-V178 PolarHBondContact O-N 3.17Å; M175-V178 HydrophobicContact SD-CB 4.23Å; M175-V178 HydrophobicContact SD-CG1 4.45Å; V178-A181 PolarHBondContact O-N 3.08Å; V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.43Å; V178-L182 WeakPolarHBondContact O-CG 3.45Å; V178-L182 PolarHBondContact O-N 3.38Å; V178-L182 VanDerWaalsContact O-N 3.07Å; V178-V188 HydrophobicContact CG1-CG1 4.28Å; V178-V188 HydrophobicContact CG2-CG1 4.26Å; V178-V190 HydrophobicContact CG2-CG2 3.7Å; V178-L217 HydrophobicContact CG1-CD1 3.88Å |
| 179 | L | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 4.2 Ų | 4.2 | 2% | 0.016 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | -173.9 | -61.8 | 179.7 | 0 | 0 | 0 | 114.3 | L137 L138 Y141 M175 A181 L182 A183 F207 | L137-L179 HydrophobicContact CB-CD1 3.55Å; L137-L179 HydrophobicContact CD1-CD1 4.18Å; L138-L179 HydrophobicContact CD2-CD1 3.98Å; L138-L179 HydrophobicContact CD2-CD2 3.57Å; L138-L179 HydrophobicContact CD2-CG 4.37Å; L138-L179 HydrophobicContact CG-CD1 3.87Å; L138-L179 HydrophobicContact CG-CD2 4.32Å; Y141-L179 HydrophobicContact CD2-CB 3.67Å; Y141-L179 HydrophobicContact CE2-CB 4.33Å; Y141-L179 HydrophobicContact CG-CB 4.34Å; M175-L179 HydrophobicContact CB-CD1 4.27Å; M175-L179 HydrophobicContact CB-CG 4.43Å; M175-L179 WeakPolarHBondContact O-CB 3.21Å; M175-L179 WeakPolarHBondContact O-CG 3.22Å; M175-L179 PolarHBondContact O-N 2.79Å; L179-A181 VanDerWaalsContact C-N 3.35Å; L179-L182 PolarHBondContact O-N 3.37Å; L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 2.79Å; L179-F207 HydrophobicContact CD2-CE2 4.27Å |
| 180 | P | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.006 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | 173.8 | 19.9 | -28.2 | 0 | 0 | 0 | 112.7 | Y141 L176 K177 L182 A183 M184 L466 F469 | Y141-P180 HydrophobicContact CD1-CB 3.83Å; Y141-P180 HydrophobicContact CE1-CB 3.58Å; Y141-P180 HydrophobicContact CE1-CG 4.04Å; Y141-P180 HydrophobicContact CE2-CB 4.44Å; Y141-P180 HydrophobicContact CE2-CG 4.14Å; Y141-P180 HydrophobicContact CG-CB 4.39Å; L176-P180 VanDerWaalsContact O-CD 3.28Å; L176-P180 WeakPolarHBondContact O-CD 3.2Å; L176-P180 WeakPolarHBondContact O-CG 3.19Å; K177-P180 WeakPolarHBondContact O-CD 3.4Å; K177-P180 WeakPolarHBondContact O-CG 3.49Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.21Å; P180-A183 PolarHBondContact O-N 2.83Å; P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 VanDerWaalsContact O-CG 3.29Å; P180-M184 WeakPolarHBondContact O-CG 3.27Å; P180-M184 PolarHBondContact O-N 3.1Å; P180-L466 HydrophobicContact CB-CD2 3.67Å; P180-F469 HydrophobicContact CB-CD2 3.93Å; P180-F469 HydrophobicContact CB-CE2 3.74Å; P180-F469 HydrophobicContact CG-CD2 4.26Å; P180-F469 HydrophobicContact CG-CE2 3.57Å; P180-F469 HydrophobicContact CG-CZ 4.24Å |
| 181 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K177 V178 L179 M184 G185 N186 V188 F469 | K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 2.69Å; V178-A181 PolarHBondContact O-N 3.08Å; L179-A181 VanDerWaalsContact C-N 3.35Å; A181-M184 PolarHBondContact O-N 3.2Å; A181-G185 PolarHBondContact O-N 3.3Å; A181-N186 HydrophobicContact CB-CB 4.47Å; A181-N186 VanDerWaalsContact O-CB 3.27Å; A181-N186 WeakPolarHBondContact O-CB 3.48Å; A181-N186 PolarHBondContact O-N 3.03Å; A181-N186 PolarHBondContact O-ND2 3.24Å; A181-V188 HydrophobicContact CB-CG2 3.63Å; A181-F469 HydrophobicContact CB-CD1 3.59Å; A181-F469 HydrophobicContact CB-CD2 4.5Å; A181-F469 HydrophobicContact CB-CE1 3.73Å; A181-F469 HydrophobicContact CB-CG 4Å; A181-F469 HydrophobicContact CB-CZ 4.25Å |
| 182 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 175.2 | -67.8 | 179 | 0 | 0 | 0 | 112 | W92 L104 V178 L179 P180 M184 G185 V188 V216 | W92-L182 PolarHBondContact NE1-O 2.61Å; L104-L182 HydrophobicContact CD2-CB 4.34Å; V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.43Å; V178-L182 WeakPolarHBondContact O-CG 3.45Å; V178-L182 PolarHBondContact O-N 3.38Å; V178-L182 VanDerWaalsContact O-N 3.07Å; L179-L182 PolarHBondContact O-N 3.37Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.21Å; L182-M184 VanDerWaalsContact C-N 3.28Å; L182-M184 PolarHBondContact O-N 3.43Å; L182-G185 PolarHBondContact O-N 3.32Å; L182-V188 HydrophobicContact CD2-CB 4.35Å; L182-V188 HydrophobicContact CD2-CG2 3.78Å; L182-V188 HydrophobicContact CG-CG2 3.98Å; L182-V216 HydrophobicContact CD2-CG1 3.51Å |
| 183 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L104 Y141 A145 L179 P180 G185 | L104-A183 HydrophobicContact CD1-CB 3.85Å; Y141-A183 VanDerWaalsContact O-CB 3.28Å; Y141-A183 WeakPolarHBondContact O-CB 3.33Å; A145-A183 HydrophobicContact CB-CB 3.91Å; A145-A183 WeakPolarHBondContact CB-O 3.18Å; L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 2.79Å; P180-A183 PolarHBondContact O-N 2.83Å; A183-G185 PolarHBondContact O-N 3.13Å |
| 184 | M | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.9 | 178.4 | -66.9 | -53.8 | 96.7 | 0 | 0 | 113.8 | W144 R148 P157 P180 A181 L182 L466 F469 L470 | W144-M184 HydrophobicContact CB-CE 4.08Å; R148-M184 HydrophobicContact CB-CE 4.24Å; R148-M184 HydrophobicContact CB-SD 4.49Å; R148-M184 HydrophobicContact CG-CE 4.26Å; R148-M184 HydrophobicContact CG-SD 3.87Å; R148-M184 PolarHBondContact NH1-O 2.98Å; P157-M184 WeakPolarHBondContact CB-O 3.35Å; P157-M184 VanDerWaalsContact CG-O 3.32Å; P157-M184 WeakPolarHBondContact CG-O 3.34Å; P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 VanDerWaalsContact O-CG 3.29Å; P180-M184 WeakPolarHBondContact O-CG 3.27Å; P180-M184 PolarHBondContact O-N 3.1Å; A181-M184 PolarHBondContact O-N 3.2Å; L182-M184 VanDerWaalsContact C-N 3.28Å; L182-M184 PolarHBondContact O-N 3.43Å; M184-L466 HydrophobicContact CE-CD1 4.05Å; M184-L466 HydrophobicContact CE-CD2 4.18Å; M184-L466 HydrophobicContact CG-CB 4.2Å; M184-L466 HydrophobicContact CG-CD2 4.34Å; M184-L466 HydrophobicContact SD-CB 3.98Å; M184-L466 HydrophobicContact SD-CD1 4.21Å; M184-L466 HydrophobicContact SD-CD2 4.4Å; M184-L466 HydrophobicContact SD-CG 4.44Å; M184-F469 HydrophobicContact CB-CB 4.17Å; M184-F469 HydrophobicContact CG-CB 4.3Å; M184-L470 HydrophobicContact CB-CD2 3.87Å; M184-L470 HydrophobicContact CB-CG 4.34Å; M184-L470 HydrophobicContact CG-CD1 4.49Å; M184-L470 HydrophobicContact CG-CD2 4.16Å; M184-L470 HydrophobicContact CG-CG 4.18Å; M184-L470 HydrophobicContact SD-CD1 3.9Å; M184-L470 HydrophobicContact SD-CD2 4.12Å; M184-L470 HydrophobicContact SD-CG 4.18Å |
| 185 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 19.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A181 L182 A183 | A181-G185 PolarHBondContact O-N 3.3Å; L182-G185 PolarHBondContact O-N 3.32Å; A183-G185 PolarHBondContact O-N 3.13Å |
| 186 | N | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -89.1 | 156.3 | 173.4 | -55.8 | -75.3 | 0 | 0 | 0 | 110.5 | P157 V158 G159 V161 A181 F469 | P157-N186 VanDerWaalsContact CB-OD1 3.23Å; P157-N186 WeakPolarHBondContact CB-OD1 3.39Å; V158-N186 VanDerWaalsContact CG2-OD1 3.23Å; V158-N186 WeakPolarHBondContact CG2-OD1 3.34Å; V158-N186 PolarHBondContact N-OD1 3.24Å; G159-N186 PolarHBondContact N-OD1 2.7Å; G159-N186 WeakPolarHBondContact O-CA 3.33Å; G159-N186 WeakPolarHBondContact O-CB 3.36Å; G159-N186 PolarHBondContact O-OD1 3.04Å; V161-N186 HydrophobicContact CG2-CB 3.82Å; A181-N186 HydrophobicContact CB-CB 4.47Å; A181-N186 VanDerWaalsContact O-CB 3.27Å; A181-N186 WeakPolarHBondContact O-CB 3.48Å; A181-N186 PolarHBondContact O-N 3.03Å; A181-N186 PolarHBondContact O-ND2 3.24Å; N186-F469 PolarHBondContact ND2-O 2.98Å | ||
| 187 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 155.7 | 159.2 | 70.4 | 0 | 0 | 0 | 0 | 109.6 | A85 W89 G159 V161 V216 | A85-S187 WeakPolarHBondContact O-CB 3.32Å; A85-S187 PolarHBondContact O-OG 3.26Å; W89-S187 WeakPolarHBondContact CB-OG 3.47Å; G159-S187 PolarHBondContact O-N 3.43Å; V161-S187 PolarHBondContact N-O 3.18Å; S187-V216 WeakPolarHBondContact CA-O 3.44Å |
| 188 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.8 | -172.6 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | V161 V163 V178 A181 L182 V190 V216 L217 N218 | V161-V188 WeakPolarHBondContact O-CA 3.26Å; V163-V188 HydrophobicContact CB-CG1 4.23Å; V163-V188 HydrophobicContact CG2-CG1 3.68Å; V178-V188 HydrophobicContact CG1-CG1 4.28Å; V178-V188 HydrophobicContact CG2-CG1 4.26Å; A181-V188 HydrophobicContact CB-CG2 3.63Å; L182-V188 HydrophobicContact CD2-CB 4.35Å; L182-V188 HydrophobicContact CD2-CG2 3.78Å; L182-V188 HydrophobicContact CG-CG2 3.98Å; V188-V190 HydrophobicContact CG1-CG2 3.72Å; V188-V216 PolarHBondContact N-O 3.49Å; V188-L217 HydrophobicContact CB-CD1 4.23Å; V188-L217 HydrophobicContact CG1-CD1 4.38Å; V188-N218 PolarHBondContact O-N 3.46Å |
| 189 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.7 | 163 | -55.4 | 171.1 | 0 | 0 | 0 | 107.3 | A82 A85 V160 V161 V162 V163 N218 L220 V231 | A82-I189 HydrophobicContact CB-CD1 4.38Å; A85-I189 HydrophobicContact CB-CD1 3.63Å; A85-I189 HydrophobicContact CB-CG1 3.51Å; V160-I189 HydrophobicContact CG1-CD1 4.02Å; V160-I189 HydrophobicContact CG1-CG1 4.21Å; V161-I189 PolarHBondContact O-N 3.14Å; V162-I189 CarbonylContact C-O 3.47Å; V162-I189 WeakPolarHBondContact CA-O 3.34Å; V162-I189 HydrophobicContact CG2-CB 4.37Å; V163-I189 PolarHBondContact N-O 3.48Å; I189-N218 CarbonylContact C-O 3.57Å; I189-N218 WeakPolarHBondContact CA-O 3.4Å; I189-N218 HydrophobicContact CG1-CB 4.49Å; I189-L220 HydrophobicContact CG2-CD1 4.39Å; I189-V231 HydrophobicContact CB-CG1 4.39Å; I189-V231 HydrophobicContact CD1-CG1 3.68Å; I189-V231 HydrophobicContact CG2-CG1 3.97Å |
| 190 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.9 | 178.2 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | V163 L174 V178 V188 P192 T200 L217 N218 I219 L220 | V163-V190 CarbonylContact O-C 3.57Å; V163-V190 WeakPolarHBondContact O-CA 3.34Å; L174-V190 HydrophobicContact CD1-CG1 3.87Å; L174-V190 HydrophobicContact CD2-CG1 4.01Å; L174-V190 HydrophobicContact CG-CG1 4.33Å; V178-V190 HydrophobicContact CG2-CG2 3.7Å; V188-V190 HydrophobicContact CG1-CG2 3.72Å; V190-P192 HydrophobicContact CG1-CB 4.24Å; V190-P192 WeakPolarHBondContact O-CD 3.38Å; V190-T200 HydrophobicContact CB-CG2 4.43Å; V190-T200 HydrophobicContact CG1-CG2 4Å; V190-L217 HydrophobicContact CG2-CD1 3.73Å; V190-N218 PolarHBondContact N-O 3.48Å; V190-I219 HydrophobicContact CB-CG1 4.32Å; V190-I219 WeakPolarHBondContact O-CA 3.22Å; V190-L220 PolarHBondContact O-N 3.38Å |
| 191 | V | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 6.3 Ų | 6.3 | 3% | 0.03 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 86.5 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | V162 V163 V164 S165 L220 L227 V231 | V162-V191 HydrophobicContact CG1-CG2 4.44Å; V163-V191 PolarHBondContact O-N 3.37Å; V164-V191 WeakPolarHBondContact CA-O 3.44Å; V164-V191 HydrophobicContact CG1-CB 4.32Å; V164-V191 HydrophobicContact CG1-CG1 4.47Å; V164-V191 HydrophobicContact CG2-CB 4.37Å; S165-V191 PolarHBondContact N-O 3.12Å; S165-V191 VanDerWaalsContact N-O 3.08Å; V191-L220 WeakPolarHBondContact CA-O 3Å; V191-L227 HydrophobicContact CG1-CB 4.14Å; V191-L227 HydrophobicContact CG1-CD2 3.99Å; V191-L227 HydrophobicContact CG1-CG 4.16Å; V191-L227 HydrophobicContact CG2-CG 4.42Å; V191-V231 HydrophobicContact CG2-CG2 4.33Å |
| 192 | P | 96.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 6.6 Ų | 6.6 | 7% | 0.071 | 3% | 0.031 | C | C | . | . | trans | -78.2 | 150.2 | -173.2 | 31.9 | -32.9 | 0 | 0 | 0 | 111.3 | L174 V190 A196 A197 I219 L220 T221 | L174-P192 HydrophobicContact CD2-CB 4.19Å; V190-P192 HydrophobicContact CG1-CB 4.24Å; V190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-A196 HydrophobicContact CB-CB 4.4Å; P192-A197 HydrophobicContact CB-CB 4.25Å; P192-A197 HydrophobicContact CG-CB 3.73Å; P192-I219 HydrophobicContact CG-CG2 3.94Å; P192-L220 WeakPolarHBondContact CD-O 3.19Å; P192-T221 HydrophobicContact CG-CG2 4.35Å | ||
| 193 | G | 92.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 2% | 0.021 | 3% | 0.032 | C | C | . | . | trans | -58 | 158.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S165 S166 S195 A196 A197 | S165-G193 PolarHBondContact O-N 2.98Å; S165-G193 PolarHBondContact OG-N 3.49Å; S166-G193 WeakPolarHBondContact O-CA 3.31Å; G193-S195 VanDerWaalsContact C-N 3.34Å; G193-S195 PolarHBondContact O-N 3.16Å; G193-A196 CarbonylContact O-C 3.57Å; G193-A196 PolarHBondContact O-N 3.5Å; G193-A196 VanDerWaalsContact O-N 3.11Å; G193-A197 WeakPolarHBondContact O-CB 3.29Å; G193-A197 PolarHBondContact O-N 3.43Å | ||
| 194 | R | 89.9 | Confident | 96.2 | Very high | 93 Ų | 93 | 6.7 Ų | 6.7 | 35% | 0.351 | 3% | 0.032 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -44.8 | -172.2 | -167.2 | -175.1 | -65 | 173.5 | 5.2 | 112.8 | L59 H167 A197 P198 | L59-R194 HydrophobicContact CB-CG 4.35Å; L59-R194 HydrophobicContact CD1-CG 3.96Å; H167-R194 WeakPolarHBondContact ND1-CB 3.42Å; H167-R194 PolarHBondContact ND1-N 3.36Å; R194-A197 PolarHBondContact O-N 3.31Å; R194-P198 WeakPolarHBondContact O-CD 3.49Å |
| 195 | S | 89.5 | Confident | 96.1 | Very high | 18 Ų | 18 | 9.7 Ų | 9.7 | 13% | 0.126 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -41.1 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | C125 A127 H167 G193 A197 | C125-S195 VanDerWaalsContact CB-O 3.25Å; C125-S195 WeakPolarHBondContact CB-O 3.22Å; C125-S195 WeakPolarHBondContact O-CA 3.34Å; C125-S195 WeakPolarHBondContact O-CB 3.11Å; C125-S195 PolarHBondContact O-OG 2.93Å; A127-S195 WeakPolarHBondContact CB-O 3.45Å; H167-S195 WeakPolarHBondContact O-CB 3.23Å; H167-S195 PolarHBondContact O-OG 3.46Å; G193-S195 VanDerWaalsContact C-N 3.34Å; G193-S195 PolarHBondContact O-N 3.16Å; S195-A197 VanDerWaalsContact C-N 3.33Å; S195-A197 PolarHBondContact O-N 2.98Å |
| 196 | A | 92.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L174 P192 G193 P199 T200 | L174-A196 HydrophobicContact CD2-CB 4.3Å; P192-A196 HydrophobicContact CB-CB 4.4Å; G193-A196 CarbonylContact O-C 3.57Å; G193-A196 PolarHBondContact O-N 3.5Å; G193-A196 VanDerWaalsContact O-N 3.11Å; A196-P199 WeakPolarHBondContact O-CD 3.34Å; A196-P199 WeakPolarHBondContact O-CG 3.08Å; A196-T200 VanDerWaalsContact O-CB 3.23Å; A196-T200 WeakPolarHBondContact O-CB 3.11Å; A196-T200 PolarHBondContact O-N 3.24Å; A196-T200 PolarHBondContact O-OG1 3.4Å |
| 197 | A | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 2% | 0.017 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.8 | -52.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T70 P192 G193 R194 S195 T200 L201 T221 | T70-A197 HydrophobicContact CG2-CB 4.24Å; P192-A197 HydrophobicContact CB-CB 4.25Å; P192-A197 HydrophobicContact CG-CB 3.73Å; G193-A197 WeakPolarHBondContact O-CB 3.29Å; G193-A197 PolarHBondContact O-N 3.43Å; R194-A197 PolarHBondContact O-N 3.31Å; S195-A197 VanDerWaalsContact C-N 3.33Å; S195-A197 PolarHBondContact O-N 2.98Å; A197-T200 PolarHBondContact O-N 2.91Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 3Å; A197-T221 HydrophobicContact CB-CG2 3.87Å |
| 198 | P | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 178.3 | -24.1 | 35.6 | 0 | 0 | 0 | 114.5 | L40 L59 C68 L121 R194 T200 L201 L202 | L40-P198 HydrophobicContact CD1-CB 3.76Å; L40-P198 HydrophobicContact CD1-CG 4.06Å; L59-P198 HydrophobicContact CD2-CG 4.01Å; C68-P198 VanDerWaalsContact SG-CG 3.57Å; L121-P198 HydrophobicContact CD1-CB 4.08Å; L121-P198 HydrophobicContact CD2-CB 4.19Å; L121-P198 HydrophobicContact CG-CB 4.26Å; R194-P198 WeakPolarHBondContact O-CD 3.49Å; P198-T200 VanDerWaalsContact C-N 3.29Å; P198-T200 PolarHBondContact O-N 2.97Å; P198-L201 PolarHBondContact O-N 3.27Å; P198-L202 PolarHBondContact O-N 2.78Å |
| 199 | P | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.3 | -30.9 | 178.6 | 26.5 | -33.7 | 0 | 0 | 0 | 112.5 | L121 A127 L171 A196 L202 L203 | L121-P199 HydrophobicContact CD2-CB 4.28Å; L121-P199 HydrophobicContact CG-CB 4.35Å; A127-P199 HydrophobicContact CB-CG 4.19Å; L171-P199 HydrophobicContact CD2-CB 3.88Å; L171-P199 HydrophobicContact CD2-CG 4.3Å; A196-P199 WeakPolarHBondContact O-CD 3.34Å; A196-P199 WeakPolarHBondContact O-CG 3.08Å; P199-L202 PolarHBondContact O-N 2.76Å; P199-L203 VanDerWaalsContact O-CG 3.28Å; P199-L203 WeakPolarHBondContact O-CG 3.39Å; P199-L203 PolarHBondContact O-N 2.73Å |
| 200 | T | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 173.9 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | L174 M175 V190 A196 A197 P198 L203 A204 I219 | L174-T200 HydrophobicContact CD2-CG2 4.15Å; L174-T200 VanDerWaalsContact CD2-OG1 3.31Å; L174-T200 WeakPolarHBondContact CD2-OG1 3.33Å; M175-T200 HydrophobicContact CE-CG2 4.39Å; V190-T200 HydrophobicContact CB-CG2 4.43Å; V190-T200 HydrophobicContact CG1-CG2 4Å; A196-T200 VanDerWaalsContact O-CB 3.23Å; A196-T200 WeakPolarHBondContact O-CB 3.11Å; A196-T200 PolarHBondContact O-N 3.24Å; A196-T200 PolarHBondContact O-OG1 3.4Å; A197-T200 PolarHBondContact O-N 2.91Å; P198-T200 VanDerWaalsContact C-N 3.29Å; P198-T200 PolarHBondContact O-N 2.97Å; T200-L203 PolarHBondContact O-N 3.09Å; T200-A204 PolarHBondContact O-N 3.05Å; T200-I219 VanDerWaalsContact C-CD1 3.42Å; T200-I219 HydrophobicContact CG2-CD1 3.64Å; T200-I219 HydrophobicContact CG2-CG1 4.02Å; T200-I219 HydrophobicContact CG2-CG2 4.42Å; T200-I219 WeakPolarHBondContact O-CD1 3.47Å |
| 201 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.7 | -72.7 | 167.4 | 0 | 0 | 0 | 112.4 | W32 L40 F43 F48 A197 P198 L203 A204 Q205 I219 T221 | W32-L201 HydrophobicContact CH2-CB 4.45Å; L40-L201 HydrophobicContact CB-CD1 3.83Å; L40-L201 HydrophobicContact CD1-CD1 4.07Å; F43-L201 HydrophobicContact CB-CD2 3.79Å; F48-L201 HydrophobicContact CE1-CB 4.05Å; F48-L201 HydrophobicContact CE1-CD2 4.06Å; F48-L201 HydrophobicContact CE1-CG 4.47Å; F48-L201 HydrophobicContact CZ-CB 4.19Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 3Å; P198-L201 PolarHBondContact O-N 3.27Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 3.06Å; L201-A204 PolarHBondContact O-N 2.85Å; L201-Q205 PolarHBondContact O-N 2.8Å; L201-Q205 VanDerWaalsContact O-N 3.13Å; L201-I219 HydrophobicContact CD2-CB 3.8Å; L201-I219 HydrophobicContact CD2-CD1 3.93Å; L201-I219 HydrophobicContact CD2-CG2 3.65Å; L201-I219 HydrophobicContact CG-CD1 4.33Å; L201-I219 HydrophobicContact CG-CG2 4.12Å; L201-T221 HydrophobicContact CD1-CG2 4.45Å |
| 202 | L | 97.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 172.2 | 173 | 62.6 | 0 | 0 | 0 | 111.1 | W32 V118 L121 P198 P199 A204 Q205 L206 | W32-L202 HydrophobicContact CD2-CD1 4.21Å; W32-L202 HydrophobicContact CG-CD1 4.29Å; W32-L202 HydrophobicContact CH2-CB 4.06Å; W32-L202 HydrophobicContact CZ2-CB 3.84Å; W32-L202 HydrophobicContact CZ2-CD1 4.23Å; V118-L202 HydrophobicContact CG2-CD2 3.86Å; V118-L202 HydrophobicContact CG2-CG 4.48Å; L121-L202 HydrophobicContact CD2-CB 3.97Å; L121-L202 HydrophobicContact CD2-CD2 3.77Å; P198-L202 PolarHBondContact O-N 2.78Å; P199-L202 PolarHBondContact O-N 2.76Å; L202-A204 PolarHBondContact O-N 3.13Å; L202-Q205 WeakPolarHBondContact O-CB 3.33Å; L202-Q205 PolarHBondContact O-N 3.28Å; L202-L206 HydrophobicContact CD1-CD1 4.04Å; L202-L206 HydrophobicContact CD1-CG 4.04Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.39Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.4Å |
| 203 | L | 97.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 178.9 | -72.6 | 177.9 | 0 | 0 | 0 | 112.6 | L111 V118 L134 L171 M175 P199 T200 L201 Q205 L206 F207 | L111-L203 HydrophobicContact CD2-CD2 3.49Å; L111-L203 VanDerWaalsContact CD2-CD2 3.49Å; V118-L203 HydrophobicContact CG2-CD2 4.24Å; L134-L203 HydrophobicContact CD1-CD1 4.36Å; L134-L203 HydrophobicContact CD1-CD2 4.44Å; L171-L203 HydrophobicContact CD1-CD1 4.04Å; L171-L203 HydrophobicContact CD2-CD1 4.09Å; L171-L203 HydrophobicContact CG-CD1 4.42Å; M175-L203 HydrophobicContact CG-CD1 4.24Å; M175-L203 HydrophobicContact SD-CD1 3.92Å; P199-L203 VanDerWaalsContact O-CG 3.28Å; P199-L203 WeakPolarHBondContact O-CG 3.39Å; P199-L203 PolarHBondContact O-N 2.73Å; T200-L203 PolarHBondContact O-N 3.09Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 3.06Å; L203-Q205 PolarHBondContact O-N 2.93Å; L203-L206 PolarHBondContact O-N 2.97Å; L203-F207 HydrophobicContact CB-CE2 4.42Å; L203-F207 HydrophobicContact CB-CZ 4.35Å; L203-F207 HydrophobicContact CD2-CE1 4.14Å; L203-F207 HydrophobicContact CD2-CZ 4.15Å; L203-F207 WeakPolarHBondContact O-CB 3.12Å; L203-F207 WeakPolarHBondContact O-CD1 3.37Å; L203-F207 WeakPolarHBondContact O-CG 3.38Å; L203-F207 PolarHBondContact O-N 3.14Å |
| 204 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F43 T200 L201 L202 F207 T208 L217 I219 | F43-A204 HydrophobicContact CB-CB 4.36Å; F43-A204 HydrophobicContact CD1-CB 3.41Å; F43-A204 VanDerWaalsContact CD1-CB 3.41Å; F43-A204 HydrophobicContact CD2-CB 4.4Å; F43-A204 HydrophobicContact CE1-CB 3.7Å; F43-A204 HydrophobicContact CG-CB 3.8Å; F43-A204 HydrophobicContact CZ-CB 4.32Å; F43-A204 WeakPolarHBondContact CZ-O 3.33Å; T200-A204 PolarHBondContact O-N 3.05Å; L201-A204 PolarHBondContact O-N 2.85Å; L202-A204 PolarHBondContact O-N 3.13Å; A204-F207 PolarHBondContact O-N 3.43Å; A204-T208 WeakPolarHBondContact O-CB 3.03Å; A204-T208 PolarHBondContact O-N 3.22Å; A204-T208 PolarHBondContact O-OG1 3.03Å; A204-L217 HydrophobicContact CB-CD2 3.84Å; A204-L217 HydrophobicContact CB-CG 4.22Å; A204-I219 HydrophobicContact CB-CD1 3.31Å; A204-I219 HydrophobicContact CB-CG1 4.19Å |
| 205 | Q | 97.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 17.6 Ų | 17.6 | 30% | 0.299 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 171.2 | -174.9 | -177.1 | 13.8 | 0 | 0 | 110.8 | F43 F48 L201 L202 L203 F207 T208 G209 | F43-Q205 HydrophobicContact CE2-CB 4.14Å; F48-Q205 HydrophobicContact CE2-CB 3.84Å; F48-Q205 HydrophobicContact CE2-CG 3.99Å; F48-Q205 HydrophobicContact CZ-CB 4.38Å; L201-Q205 PolarHBondContact O-N 2.8Å; L201-Q205 VanDerWaalsContact O-N 3.13Å; L202-Q205 WeakPolarHBondContact O-CB 3.33Å; L202-Q205 PolarHBondContact O-N 3.28Å; L203-Q205 PolarHBondContact O-N 2.93Å; Q205-F207 PolarHBondContact O-N 3.26Å; Q205-T208 PolarHBondContact O-N 3.45Å; Q205-G209 PolarHBondContact O-N 3.21Å |
| 206 | L | 96.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 16.7 Ų | 16.7 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 179.3 | -68.8 | 177.7 | 0 | 0 | 0 | 111.8 | V110 H114 V118 L202 L203 G209 A210 | V110-L206 HydrophobicContact CG1-CB 3.91Å; V110-L206 HydrophobicContact CG1-CD2 4.01Å; V110-L206 HydrophobicContact CG1-CG 4.42Å; H114-L206 HydrophobicContact CB-CD1 3.89Å; H114-L206 HydrophobicContact CB-CD2 4.13Å; V118-L206 HydrophobicContact CG2-CD1 4.1Å; L202-L206 HydrophobicContact CD1-CD1 4.04Å; L202-L206 HydrophobicContact CD1-CG 4.04Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.39Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.4Å; L203-L206 PolarHBondContact O-N 2.97Å; L206-G209 PolarHBondContact O-N 2.81Å; L206-A210 WeakPolarHBondContact O-CB 3.47Å; L206-A210 PolarHBondContact O-N 2.96Å |
| 207 | F | 96.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | -178.3 | -67.9 | -5 | 0 | 0 | 0 | 112.4 | L107 L111 L138 L179 L203 A204 Q205 A210 G211 L212 L217 | L107-F207 HydrophobicContact CB-CD1 4Å; L107-F207 HydrophobicContact CB-CE1 3.99Å; L107-F207 HydrophobicContact CD1-CB 4.3Å; L107-F207 HydrophobicContact CD1-CD1 3.9Å; L107-F207 HydrophobicContact CD1-CD2 3.89Å; L107-F207 HydrophobicContact CD1-CE1 4.15Å; L107-F207 HydrophobicContact CD1-CE2 4.14Å; L107-F207 HydrophobicContact CD1-CG 3.77Å; L107-F207 HydrophobicContact CD1-CZ 4.26Å; L107-F207 HydrophobicContact CD2-CB 3.83Å; L107-F207 HydrophobicContact CD2-CD1 3.79Å; L107-F207 HydrophobicContact CD2-CG 3.91Å; L107-F207 HydrophobicContact CG-CD1 4.1Å; L107-F207 HydrophobicContact CG-CE1 4.46Å; L107-F207 HydrophobicContact CG-CG 4.32Å; L111-F207 HydrophobicContact CD1-CE1 4.42Å; L111-F207 HydrophobicContact CD2-CE1 4.26Å; L111-F207 HydrophobicContact CG-CE1 4.24Å; L138-F207 HydrophobicContact CD1-CE1 4.34Å; L138-F207 HydrophobicContact CD1-CZ 4.27Å; L179-F207 HydrophobicContact CD2-CE2 4.27Å; L203-F207 HydrophobicContact CB-CE2 4.42Å; L203-F207 HydrophobicContact CB-CZ 4.35Å; L203-F207 HydrophobicContact CD2-CE1 4.14Å; L203-F207 HydrophobicContact CD2-CZ 4.15Å; L203-F207 WeakPolarHBondContact O-CB 3.12Å; L203-F207 WeakPolarHBondContact O-CD1 3.37Å; L203-F207 WeakPolarHBondContact O-CG 3.38Å; L203-F207 PolarHBondContact O-N 3.14Å; A204-F207 PolarHBondContact O-N 3.43Å; Q205-F207 PolarHBondContact O-N 3.26Å; F207-A210 WeakPolarHBondContact O-CB 3.08Å; F207-A210 PolarHBondContact O-N 2.9Å; F207-G211 PolarHBondContact O-N 2.97Å; F207-L212 HydrophobicContact CB-CB 4.28Å; F207-L212 HydrophobicContact CB-CD2 4.02Å; F207-L212 WeakPolarHBondContact O-CB 3.26Å; F207-L212 PolarHBondContact O-N 3.11Å; F207-L217 HydrophobicContact CD2-CD2 3.83Å; F207-L217 HydrophobicContact CE2-CD2 4.5Å |
| 208 | T | 95.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 16.9 Ų | 16.9 | 22% | 0.221 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | F43 A204 Q205 A210 G211 | F43-T208 VanDerWaalsContact CE1-OG1 3.25Å; F43-T208 WeakPolarHBondContact CE1-OG1 3.38Å; F43-T208 HydrophobicContact CZ-CG2 4.39Å; F43-T208 VanDerWaalsContact CZ-OG1 3.24Å; F43-T208 WeakPolarHBondContact CZ-OG1 3.39Å; A204-T208 WeakPolarHBondContact O-CB 3.03Å; A204-T208 PolarHBondContact O-N 3.22Å; A204-T208 PolarHBondContact O-OG1 3.03Å; Q205-T208 PolarHBondContact O-N 3.45Å; T208-A210 PolarHBondContact O-N 3.25Å; T208-G211 WeakPolarHBondContact O-CA 3.38Å; T208-G211 PolarHBondContact O-N 3.05Å |
| 209 | G | 93.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 16.9 Ų | 16.9 | 77% | 0.773 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -59.7 | -30.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q205 L206 G211 | Q205-G209 PolarHBondContact O-N 3.21Å; L206-G209 PolarHBondContact O-N 2.81Å; G209-G211 VanDerWaalsContact C-N 3.25Å; G209-G211 PolarHBondContact O-N 2.87Å |
| 210 | A | 93.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 12% | 0.116 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R106 L107 V110 L206 F207 T208 | R106-A210 PolarHBondContact NH1-O 2.83Å; R106-A210 VanDerWaalsContact NH1-O 3.14Å; L107-A210 HydrophobicContact CD2-CB 3.52Å; V110-A210 HydrophobicContact CB-CB 4.29Å; V110-A210 HydrophobicContact CG2-CB 3.6Å; L206-A210 WeakPolarHBondContact O-CB 3.47Å; L206-A210 PolarHBondContact O-N 2.96Å; F207-A210 WeakPolarHBondContact O-CB 3.08Å; F207-A210 PolarHBondContact O-N 2.9Å; T208-A210 PolarHBondContact O-N 3.25Å |
| 211 | G | 93.6 | Very high | 96.6 | Very high | 34 Ų | 34 | 16.9 Ų | 16.9 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 28.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | R106 F207 T208 G209 | R106-G211 PolarHBondContact NH2-O 2.96Å; R106-G211 VanDerWaalsContact NH2-O 3.15Å; F207-G211 PolarHBondContact O-N 2.97Å; T208-G211 WeakPolarHBondContact O-CA 3.38Å; T208-G211 PolarHBondContact O-N 3.05Å; G209-G211 VanDerWaalsContact C-N 3.25Å; G209-G211 PolarHBondContact O-N 2.87Å |
| 212 | L | 96.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 129.9 | 158 | -170 | 71 | 0 | 0 | 0 | 108.5 | W92 F207 V216 L217 | W92-L212 HydrophobicContact CH2-CD1 4.09Å; W92-L212 HydrophobicContact CZ2-CD1 4.49Å; W92-L212 HydrophobicContact CZ3-CD1 4.25Å; F207-L212 HydrophobicContact CB-CB 4.28Å; F207-L212 HydrophobicContact CB-CD2 4.02Å; F207-L212 WeakPolarHBondContact O-CB 3.26Å; F207-L212 PolarHBondContact O-N 3.11Å; L212-V216 HydrophobicContact CD1-CB 4.45Å; L212-V216 HydrophobicContact CD1-CG1 3.93Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG1 4.34Å; L212-V216 HydrophobicContact CG-CB 4.18Å; L212-V216 HydrophobicContact CG-CG1 4.14Å; L212-L217 HydrophobicContact CD2-CB 3.72Å; L212-L217 HydrophobicContact CD2-CD2 4.42Å |
| 213 | P | 97.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 20.2 Ų | 20.2 | 27% | 0.266 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 148.9 | -176.6 | -21.1 | 32 | 0 | 0 | 0 | 113 | W92 V216 | W92-P213 HydrophobicContact CE3-CG 3.95Å; W92-P213 HydrophobicContact CZ3-CG 4.22Å; P213-V216 HydrophobicContact CB-CG2 3.74Å; P213-V216 HydrophobicContact CG-CG2 4.14Å; P213-V216 WeakPolarHBondContact O-CB 3.49Å; P213-V216 VanDerWaalsContact O-CG2 3.32Å; P213-V216 WeakPolarHBondContact O-CG2 3.33Å; P213-V216 PolarHBondContact O-N 3.31Å |
| 214 | A | 97.1 | Very high | 95 | Very high | 48 Ų | 48 | 23.2 Ų | 23.2 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 140.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V216 | A214-V216 PolarHBondContact O-N 2.93Š|
| 215 | G | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | -5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | S84 A85 N218 | S84-G215 VanDerWaalsContact OG-CA 3.29Å; S84-G215 WeakPolarHBondContact OG-CA 3.35Å; A85-G215 WeakPolarHBondContact CA-O 3.18Å; G215-N218 PolarHBondContact O-ND2 2.78Å |
| 216 | V | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -73.2 | -38.5 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 112 | W92 L182 S187 V188 L212 P213 A214 | W92-V216 HydrophobicContact CB-CG1 4.31Å; W92-V216 HydrophobicContact CB-CG2 3.71Å; W92-V216 HydrophobicContact CD2-CG1 3.92Å; W92-V216 HydrophobicContact CD2-CG2 4.32Å; W92-V216 HydrophobicContact CE3-CG1 4.42Å; W92-V216 HydrophobicContact CE3-CG2 4.36Å; W92-V216 HydrophobicContact CG-CG1 3.87Å; W92-V216 HydrophobicContact CG-CG2 4.08Å; L182-V216 HydrophobicContact CD2-CG1 3.51Å; S187-V216 WeakPolarHBondContact CA-O 3.44Å; V188-V216 PolarHBondContact N-O 3.49Å; L212-V216 HydrophobicContact CD1-CB 4.45Å; L212-V216 HydrophobicContact CD1-CG1 3.93Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG1 4.34Å; L212-V216 HydrophobicContact CG-CB 4.18Å; L212-V216 HydrophobicContact CG-CG1 4.14Å; P213-V216 HydrophobicContact CB-CG2 3.74Å; P213-V216 HydrophobicContact CG-CG2 4.14Å; P213-V216 WeakPolarHBondContact O-CB 3.49Å; P213-V216 VanDerWaalsContact O-CG2 3.32Å; P213-V216 WeakPolarHBondContact O-CG2 3.33Å; P213-V216 PolarHBondContact O-N 3.31Å; A214-V216 PolarHBondContact O-N 2.93Å |
| 217 | L | 98.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.7 | 172.5 | 177.6 | 63.2 | 0 | 0 | 0 | 108.6 | V178 V188 V190 A204 F207 L212 | V178-L217 HydrophobicContact CG1-CD1 3.88Å; V188-L217 HydrophobicContact CB-CD1 4.23Å; V188-L217 HydrophobicContact CG1-CD1 4.38Å; V190-L217 HydrophobicContact CG2-CD1 3.73Å; A204-L217 HydrophobicContact CB-CD2 3.84Å; A204-L217 HydrophobicContact CB-CG 4.22Å; F207-L217 HydrophobicContact CD2-CD2 3.83Å; F207-L217 HydrophobicContact CE2-CD2 4.5Å; L212-L217 HydrophobicContact CD2-CB 3.72Å; L212-L217 HydrophobicContact CD2-CD2 4.42Å |
| 218 | N | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.6 | 176.3 | -52.9 | -82.6 | 0 | 0 | 0 | 109.6 | F43 D45 C81 S84 V188 I189 V190 G215 | F43-N218 CarbonylContact O-C 3.58Å; F43-N218 VanDerWaalsContact O-CA 3.29Å; F43-N218 WeakPolarHBondContact O-CA 3.33Å; D45-N218 PolarHBondContact N-OD1 2.96Å; C81-N218 VanDerWaalsContact SG-CB 3.51Å; S84-N218 PolarHBondContact OG-OD1 3.49Å; V188-N218 PolarHBondContact O-N 3.46Å; I189-N218 CarbonylContact C-O 3.57Å; I189-N218 WeakPolarHBondContact CA-O 3.4Å; I189-N218 HydrophobicContact CG1-CB 4.49Å; V190-N218 PolarHBondContact N-O 3.48Å; G215-N218 PolarHBondContact O-ND2 2.78Å |
| 219 | I | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.7 | -179.2 | -55.8 | 166.1 | 0 | 0 | 0 | 108.9 | F43 V190 P192 T200 L201 A204 | F43-I219 HydrophobicContact CB-CB 4.14Å; F43-I219 HydrophobicContact CB-CD1 4.21Å; F43-I219 HydrophobicContact CB-CG1 4.42Å; F43-I219 PolarHBondContact N-O 3.24Å; F43-I219 PolarHBondContact O-N 3.31Å; V190-I219 HydrophobicContact CB-CG1 4.32Å; V190-I219 WeakPolarHBondContact O-CA 3.22Å; P192-I219 HydrophobicContact CG-CG2 3.94Å; T200-I219 VanDerWaalsContact C-CD1 3.42Å; T200-I219 HydrophobicContact CG2-CD1 3.64Å; T200-I219 HydrophobicContact CG2-CG1 4.02Å; T200-I219 HydrophobicContact CG2-CG2 4.42Å; T200-I219 WeakPolarHBondContact O-CD1 3.47Å; L201-I219 HydrophobicContact CD2-CB 3.8Å; L201-I219 HydrophobicContact CD2-CD1 3.93Å; L201-I219 HydrophobicContact CD2-CG2 3.65Å; L201-I219 HydrophobicContact CG-CD1 4.33Å; L201-I219 HydrophobicContact CG-CG2 4.12Å; A204-I219 HydrophobicContact CB-CD1 3.31Å; A204-I219 HydrophobicContact CB-CG1 4.19Å |
| 220 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -117.7 | 128.9 | 171.9 | -73.6 | 178.6 | 0 | 0 | 0 | 110 | F42 M44 A73 D77 V78 C81 I189 V190 V191 P192 L227 V231 | F42-L220 HydrophobicContact CB-CD2 4.14Å; F42-L220 HydrophobicContact CD1-CD2 3.85Å; F42-L220 HydrophobicContact CD2-CD2 4.21Å; F42-L220 HydrophobicContact CE1-CD2 4.34Å; F42-L220 HydrophobicContact CG-CD2 3.79Å; M44-L220 HydrophobicContact CE-CD2 4.38Å; M44-L220 HydrophobicContact SD-CD2 3.83Å; A73-L220 HydrophobicContact CB-CD2 4.19Å; D77-L220 HydrophobicContact CB-CD2 4.47Å; V78-L220 HydrophobicContact CG2-CD1 4.3Å; C81-L220 HydrophobicContact CB-CD1 3.5Å; C81-L220 HydrophobicContact CB-CD2 4.01Å; C81-L220 HydrophobicContact CB-CG 3.85Å; C81-L220 VanDerWaalsContact SG-CG 3.58Å; I189-L220 HydrophobicContact CG2-CD1 4.39Å; V190-L220 PolarHBondContact O-N 3.38Å; V191-L220 WeakPolarHBondContact CA-O 3Å; P192-L220 WeakPolarHBondContact CD-O 3.19Å; L220-L227 HydrophobicContact CB-CD2 4.38Å; L220-V231 HydrophobicContact CD1-CG2 3.75Å | ||
| 221 | T | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | trans | -99.7 | 149.1 | 175.2 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | F42 T70 V71 A73 P192 A197 L201 L227 | F42-T221 WeakPolarHBondContact CE1-OG1 3.46Å; T70-T221 HydrophobicContact CG2-CG2 4.23Å; V71-T221 CarbonylContact O-C 3.32Å; V71-T221 WeakPolarHBondContact O-CB 3.38Å; V71-T221 PolarHBondContact O-OG1 3.3Å; A73-T221 PolarHBondContact N-O 2.94Å; P192-T221 HydrophobicContact CG-CG2 4.35Å; A197-T221 HydrophobicContact CB-CG2 3.87Å; L201-T221 HydrophobicContact CD1-CG2 4.45Å; T221-L227 WeakPolarHBondContact O-CD2 3.47Å | ||
| 222 | G | 89.9 | Confident | 93.4 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | trans | -154.9 | 177 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 223 | S | 82.3 | Confident | 93.1 | Very high | 56 Ų | 56 | 26.1 Ų | 26.1 | 39% | 0.392 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -78 | -30.6 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 224 | D | 86 | Confident | 92.7 | Very high | 65 Ų | 65 | 25.5 Ų | 25.5 | 35% | 0.348 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -155.7 | 169.1 | -172.3 | 60.3 | 69.8 | 0 | 0 | 0 | 111.2 | T226 L227 | D224-T226 PolarHBondContact O-N 3.4Å; D224-T226 VanDerWaalsContact O-N 3.15Å; D224-T226 WeakPolarHBondContact OD1-CA 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.43Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.27Å; D224-T226 PolarHBondContact OD1-N 3.5Å; D224-T226 PolarHBondContact OD1-OG1 3.28Å; D224-L227 PolarHBondContact O-N 3.47Å |
| 225 | V | 86.7 | Confident | 92.2 | Very high | 12 Ų | 12 | 27 Ų | 27 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22 | -177.9 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | V164 L227 G228 Y242 D248 A251 L252 | V164-V225 HydrophobicContact CG1-CG2 3.5Å; V225-L227 PolarHBondContact O-N 3.5Å; V225-G228 PolarHBondContact O-N 3.46Å; V225-Y242 HydrophobicContact CG2-CD2 4.15Å; V225-Y242 HydrophobicContact CG2-CE2 3.79Å; V225-D248 HydrophobicContact CB-CB 4.16Å; V225-D248 HydrophobicContact CG1-CB 4.05Å; V225-D248 HydrophobicContact CG2-CB 4.16Å; V225-A251 HydrophobicContact CG1-CB 4.2Å; V225-L252 HydrophobicContact CG2-CB 4.14Å; V225-L252 HydrophobicContact CG2-CD2 4.22Å |
| 226 | T | 88.1 | Confident | 91.8 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 28% | 0.282 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -70.5 | -16.2 | -177 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | D224 G228 A229 K230 A255 | D224-T226 PolarHBondContact O-N 3.4Å; D224-T226 VanDerWaalsContact O-N 3.15Å; D224-T226 WeakPolarHBondContact OD1-CA 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.43Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.27Å; D224-T226 PolarHBondContact OD1-N 3.5Å; D224-T226 PolarHBondContact OD1-OG1 3.28Å; T226-G228 PolarHBondContact O-N 3.24Å; T226-A229 WeakPolarHBondContact O-CB 3.44Å; T226-A229 PolarHBondContact O-N 3.05Å; T226-K230 PolarHBondContact O-N 2.95Å; T226-A255 HydrophobicContact CG2-CB 4.46Å |
| 227 | L | 93.6 | Very high | 91.5 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.9 | -38 | 167.5 | 178.7 | 60.8 | 0 | 0 | 0 | 111.1 | A73 V78 V191 L220 T221 D224 V225 A229 K230 V231 | A73-L227 HydrophobicContact CB-CD1 4.06Å; A73-L227 HydrophobicContact CB-CD2 3.95Å; V78-L227 HydrophobicContact CG2-CD1 3.72Å; V191-L227 HydrophobicContact CG1-CB 4.14Å; V191-L227 HydrophobicContact CG1-CD2 3.99Å; V191-L227 HydrophobicContact CG1-CG 4.16Å; V191-L227 HydrophobicContact CG2-CG 4.42Å; L220-L227 HydrophobicContact CB-CD2 4.38Å; T221-L227 WeakPolarHBondContact O-CD2 3.47Å; D224-L227 PolarHBondContact O-N 3.47Å; V225-L227 PolarHBondContact O-N 3.5Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 2.83Å; L227-K230 HydrophobicContact CD1-CB 4.48Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 2.82Å; L227-K230 VanDerWaalsContact O-N 3.11Å; L227-V231 HydrophobicContact CD1-CG2 4.24Å; L227-V231 HydrophobicContact CG-CG2 4.33Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.34Å; L227-V231 PolarHBondContact O-N 3.12Å |
| 228 | G | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V225 T226 S232 | V225-G228 PolarHBondContact O-N 3.46Å; T226-G228 PolarHBondContact O-N 3.24Å; G228-S232 WeakPolarHBondContact O-CB 3.41Å; G228-S232 PolarHBondContact O-N 2.64Å; G228-S232 PolarHBondContact O-OG 3.43Å |
| 229 | A | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T226 L227 S232 R233 L252 A255 M259 | T226-A229 WeakPolarHBondContact O-CB 3.44Å; T226-A229 PolarHBondContact O-N 3.05Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 2.83Å; A229-S232 PolarHBondContact O-N 3.39Å; A229-R233 PolarHBondContact O-N 2.99Å; A229-L252 HydrophobicContact CB-CD1 4.08Å; A229-A255 HydrophobicContact CB-CB 3.6Å; A229-M259 HydrophobicContact CB-CE 4.45Å |
| 230 | K | 93.6 | Very high | 91 | Very high | 85 Ų | 85 | 33.4 Ų | 33.4 | 37% | 0.37 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.9 | -47 | 175.1 | -67.8 | -179.1 | -177.8 | -180 | 0 | 111.6 | T226 L227 S232 R233 | T226-K230 PolarHBondContact O-N 2.95Å; L227-K230 HydrophobicContact CD1-CB 4.48Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 2.82Å; L227-K230 VanDerWaalsContact O-N 3.11Å; K230-S232 PolarHBondContact O-N 3.19Å; K230-R233 VanDerWaalsContact O-CB 3.26Å; K230-R233 WeakPolarHBondContact O-CB 3.13Å; K230-R233 WeakPolarHBondContact O-CG 3.48Å; K230-R233 PolarHBondContact O-N 3.16Å; K230-R233 VanDerWaalsContact O-N 3.1Å |
| 231 | V | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | V78 V162 I189 V191 L220 L227 R233 N234 | V78-V231 HydrophobicContact CG1-CB 4.34Å; V78-V231 HydrophobicContact CG1-CG2 3.99Å; V78-V231 HydrophobicContact CG2-CG2 4.09Å; V162-V231 HydrophobicContact CG1-CG1 4.4Å; V162-V231 HydrophobicContact CG2-CB 4.47Å; V162-V231 HydrophobicContact CG2-CG1 3.69Å; I189-V231 HydrophobicContact CB-CG1 4.39Å; I189-V231 HydrophobicContact CD1-CG1 3.68Å; I189-V231 HydrophobicContact CG2-CG1 3.97Å; V191-V231 HydrophobicContact CG2-CG2 4.33Å; L220-V231 HydrophobicContact CD1-CG2 3.75Å; L227-V231 HydrophobicContact CD1-CG2 4.24Å; L227-V231 HydrophobicContact CG-CG2 4.33Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.34Å; L227-V231 PolarHBondContact O-N 3.12Å; V231-R233 PolarHBondContact O-N 3.11Å; V231-N234 WeakPolarHBondContact O-CB 3.48Å; V231-N234 PolarHBondContact O-N 2.86Å; V231-N234 VanDerWaalsContact O-N 3.14Å |
| 232 | S | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -6.9 | -179.3 | -55.3 | 0 | 0 | 0 | 0 | 114.1 | G228 A229 K230 N234 I240 R480 | G228-S232 WeakPolarHBondContact O-CB 3.41Å; G228-S232 PolarHBondContact O-N 2.64Å; G228-S232 PolarHBondContact O-OG 3.43Å; A229-S232 PolarHBondContact O-N 3.39Å; K230-S232 PolarHBondContact O-N 3.19Å; S232-N234 PolarHBondContact O-N 3.41Å; S232-I240 WeakPolarHBondContact OG-CD1 3.24Å; S232-I240 WeakPolarHBondContact OG-CG1 3.19Å; S232-R480 PolarHBondContact O-NH1 3.25Å |
| 233 | R | 89.3 | Confident | 91.3 | Very high | 155 Ų | 155 | 32.4 Ų | 32.4 | 59% | 0.585 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.4 | 168.7 | -67 | 177.4 | 179 | 179.3 | -2.4 | 112.2 | A229 K230 V231 M259 R480 | A229-R233 PolarHBondContact O-N 2.99Å; K230-R233 VanDerWaalsContact O-CB 3.26Å; K230-R233 WeakPolarHBondContact O-CB 3.13Å; K230-R233 WeakPolarHBondContact O-CG 3.48Å; K230-R233 PolarHBondContact O-N 3.16Å; K230-R233 VanDerWaalsContact O-N 3.1Å; V231-R233 PolarHBondContact O-N 3.11Å; R233-M259 HydrophobicContact CG-CE 3.57Å; R233-M259 HydrophobicContact CG-SD 3.82Å; R233-R480 PolarHBondContact O-NH2 3Å |
| 234 | N | 88.4 | Confident | 91.8 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -65.4 | 135.5 | 177.6 | -176.2 | -70.4 | 0 | 0 | 0 | 111.6 | A82 V231 S232 D236 V237 R480 | A82-N234 HydrophobicContact CB-CB 3.66Å; A82-N234 WeakPolarHBondContact CB-ND2 3.36Å; V231-N234 WeakPolarHBondContact O-CB 3.48Å; V231-N234 PolarHBondContact O-N 2.86Å; V231-N234 VanDerWaalsContact O-N 3.14Å; S232-N234 PolarHBondContact O-N 3.41Å; N234-D236 PolarHBondContact O-N 2.9Å; N234-D236 WeakPolarHBondContact OD1-CB 3.49Å; N234-D236 PolarHBondContact OD1-N 2.63Å; N234-V237 HydrophobicContact CB-CG2 4.31Å; N234-V237 PolarHBondContact O-N 3.39Å; N234-R480 PolarHBondContact O-NH1 3.18Å; N234-R480 PolarHBondContact O-NH2 3.21Å |
| 235 | P | 86.2 | Confident | 92 | Very high | 78 Ų | 78 | 28.2 Ų | 28.2 | 51% | 0.506 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.7 | -177.3 | 27.2 | -36.4 | 0 | 0 | 0 | 116 | R238 | P235-R238 VanDerWaalsContact O-CZ 3.29Å; P235-R238 PolarHBondContact O-NH1 2.84Å; P235-R238 PolarHBondContact O-NH2 2.79Å; P235-R238 VanDerWaalsContact O-NH2 3.1Å |
| 236 | D | 87.9 | Confident | 92.2 | Very high | 62 Ų | 62 | 30 Ų | 30 | 33% | 0.332 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17.2 | 178.9 | -63.7 | -42.4 | 0 | 0 | 0 | 112.9 | A86 V160 N234 | A86-D236 HydrophobicContact CB-CB 4.01Å; A86-D236 VanDerWaalsContact CB-OD2 3.24Å; A86-D236 WeakPolarHBondContact CB-OD2 3.49Å; V160-D236 WeakPolarHBondContact CB-O 3.45Å; V160-D236 HydrophobicContact CG2-CB 4.07Å; N234-D236 PolarHBondContact O-N 2.9Å; N234-D236 WeakPolarHBondContact OD1-CB 3.49Å; N234-D236 PolarHBondContact OD1-N 2.63Å |
| 237 | V | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.1 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | V160 V162 N234 V261 | V160-V237 HydrophobicContact CG1-CG2 4.18Å; V162-V237 HydrophobicContact CB-CG1 4.43Å; V162-V237 HydrophobicContact CG2-CB 4.37Å; V162-V237 HydrophobicContact CG2-CG1 3.58Å; V162-V237 HydrophobicContact CG2-CG2 3.8Å; N234-V237 HydrophobicContact CB-CG2 4.31Å; N234-V237 PolarHBondContact O-N 3.39Å; V237-V261 HydrophobicContact CG1-CG1 4.18Å |
| 238 | R | 92.7 | Very high | 92.3 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -15 | -173.2 | -69.4 | -77.9 | 176 | -85.1 | -4.7 | 114.3 | V158 V160 P235 P262 | V158-R238 HydrophobicContact CB-CB 4.28Å; V158-R238 WeakPolarHBondContact O-CB 3.1Å; V158-R238 VanDerWaalsContact O-CG 3.27Å; V158-R238 WeakPolarHBondContact O-CG 3.28Å; V160-R238 PolarHBondContact O-N 3.3Å; P235-R238 VanDerWaalsContact O-CZ 3.29Å; P235-R238 PolarHBondContact O-NH1 2.84Å; P235-R238 PolarHBondContact O-NH2 2.79Å; P235-R238 VanDerWaalsContact O-NH2 3.1Å; R238-P262 WeakPolarHBondContact O-CD 3.35Å |
| 239 | L | 95.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 141.4 | 178.2 | 176.8 | 69.3 | 0 | 0 | 0 | 110.5 | V158 V161 V162 P262 Q468 F469 | V158-L239 HydrophobicContact CG2-CB 4.31Å; V161-L239 HydrophobicContact CG1-CB 4.37Å; V161-L239 HydrophobicContact CG1-CD2 4.05Å; V161-L239 HydrophobicContact CG1-CG 4.37Å; V161-L239 HydrophobicContact CG2-CB 4.32Å; V161-L239 HydrophobicContact CG2-CD2 4.34Å; V162-L239 PolarHBondContact N-O 3.33Å; L239-P262 HydrophobicContact CD1-CB 4.23Å; L239-Q468 WeakPolarHBondContact CD2-O 3.38Å; L239-F469 HydrophobicContact CD2-CD1 3.74Å; L239-F469 HydrophobicContact CD2-CE1 4Å |
| 240 | I | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.6 | 162.3 | -54.2 | 179.6 | 0 | 0 | 0 | 108.1 | V162 V164 S232 L252 V261 P262 V263 S264 | V162-I240 CarbonylContact O-C 3.54Å; V162-I240 WeakPolarHBondContact O-CA 3.4Å; V164-I240 HydrophobicContact CG2-CG2 4.09Å; S232-I240 WeakPolarHBondContact OG-CD1 3.24Å; S232-I240 WeakPolarHBondContact OG-CG1 3.19Å; I240-L252 HydrophobicContact CG2-CD2 3.77Å; I240-L252 HydrophobicContact CG2-CG 4.31Å; I240-V261 HydrophobicContact CD1-CG1 4.41Å; I240-V261 HydrophobicContact CG1-CG1 3.81Å; I240-P262 PolarHBondContact N-O 3.34Å; I240-V263 HydrophobicContact CB-CB 4.5Å; I240-V263 HydrophobicContact CB-CG1 4.2Å; I240-V263 HydrophobicContact CB-CG2 4.26Å; I240-V263 HydrophobicContact CD1-CG2 4.16Å; I240-V263 HydrophobicContact CG2-CG1 4.17Å; I240-V263 CarbonylContact O-C 3.54Å; I240-V263 WeakPolarHBondContact O-CA 3.42Å; I240-S264 PolarHBondContact O-N 3.32Å |
| 241 | A | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V162 V163 V164 K177 F469 | V162-A241 PolarHBondContact O-N 3.48Å; V163-A241 CarbonylContact C-O 3.29Å; V163-A241 VanDerWaalsContact CA-O 3.3Å; V163-A241 WeakPolarHBondContact CA-O 3.46Å; V163-A241 HydrophobicContact CG2-CB 4.47Å; V164-A241 PolarHBondContact N-O 2.86Å; K177-A241 HydrophobicContact CD-CB 4.07Å; A241-F469 HydrophobicContact CB-CE1 4.28Å |
| 242 | Y | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.3 | -174.2 | 173.1 | -91.9 | 0 | 0 | 0 | 111.9 | V164 S166 K177 V225 G244 N245 D248 L252 S264 V265 S266 | V164-Y242 HydrophobicContact CB-CD2 4.1Å; V164-Y242 HydrophobicContact CG1-CD2 4.17Å; V164-Y242 WeakPolarHBondContact O-CA 3.35Å; S166-Y242 WeakPolarHBondContact CB-OH 3.47Å; K177-Y242 VanDerWaalsContact CE-O 3.23Å; K177-Y242 WeakPolarHBondContact CE-O 3.44Å; V225-Y242 HydrophobicContact CG2-CD2 4.15Å; V225-Y242 HydrophobicContact CG2-CE2 3.79Å; Y242-G244 WeakPolarHBondContact OH-CA 2.96Å; Y242-N245 WeakPolarHBondContact CE1-O 3.39Å; Y242-N245 PolarHBondContact OH-N 3.09Å; Y242-N245 VanDerWaalsContact OH-N 3.16Å; Y242-N245 PolarHBondContact OH-O 3.14Å; Y242-D248 HydrophobicContact CE2-CB 4.15Å; Y242-D248 VanDerWaalsContact OH-CB 3.23Å; Y242-D248 WeakPolarHBondContact OH-CB 3.4Å; Y242-L252 HydrophobicContact CD2-CD2 3.62Å; Y242-L252 HydrophobicContact CG-CD2 3.96Å; Y242-S264 PolarHBondContact N-O 3.2Å; Y242-V265 HydrophobicContact CD1-CG1 3.91Å; Y242-V265 HydrophobicContact CE1-CG1 4.47Å; Y242-S266 PolarHBondContact O-N 2.81Å |
| 243 | C | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.8 | 169.1 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | V164 S165 S166 K177 S266 | V164-C243 PolarHBondContact O-N 3.29Å; S165-C243 WeakPolarHBondContact CA-O 3.22Å; S165-C243 WeakPolarHBondContact CB-O 3.31Å; S166-C243 PolarHBondContact N-O 3.32Å; S166-C243 VanDerWaalsContact N-O 3.16Å; K177-C243 HydrophobicContact CD-CB 4.06Å; C243-S266 WeakPolarHBondContact CA-O 3.42Å |
| 244 | G | 92.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.3 | -144.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S166 Y242 S266 S267 C268 V269 | S166-G244 WeakPolarHBondContact OG-CA 3.45Å; Y242-G244 WeakPolarHBondContact OH-CA 2.96Å; G244-S266 PolarHBondContact N-O 3.1Å; G244-S266 VanDerWaalsContact N-O 3.1Å; G244-S267 CarbonylContact O-C 3.53Å; G244-S267 VanDerWaalsContact O-CA 3.22Å; G244-S267 WeakPolarHBondContact O-CA 3.38Å; G244-C268 PolarHBondContact O-N 3.27Å; G244-V269 PolarHBondContact O-N 3.16Å; G244-V269 VanDerWaalsContact O-N 3.1Å |
| 245 | N | 91.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | trans | -78 | 163.3 | 173.9 | 70.6 | 59.9 | 0 | 0 | 0 | 111.8 | S166 Y242 Q247 D248 V269 | S166-N245 WeakPolarHBondContact CB-ND2 3.35Å; S166-N245 PolarHBondContact OG-N 3.28Å; Y242-N245 WeakPolarHBondContact CE1-O 3.39Å; Y242-N245 PolarHBondContact OH-N 3.09Å; Y242-N245 VanDerWaalsContact OH-N 3.16Å; Y242-N245 PolarHBondContact OH-O 3.14Å; N245-Q247 PolarHBondContact OD1-N 3.49Å; N245-Q247 VanDerWaalsContact OD1-N 3.1Å; N245-D248 PolarHBondContact ND2-OD2 3.08Å; N245-D248 WeakPolarHBondContact OD1-CB 3.42Å; N245-D248 PolarHBondContact OD1-N 2.92Å; N245-V269 HydrophobicContact CB-CB 4.42Å | ||
| 246 | K | 89.4 | Confident | 93.2 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | -179.9 | -175.6 | -176.6 | 180 | -176.3 | 0 | 112.1 | D248 G249 L250 D454 | K246-D248 PolarHBondContact O-N 3.44Å; K246-G249 PolarHBondContact O-N 2.93Å; K246-G249 VanDerWaalsContact O-N 3.17Å; K246-L250 HydrophobicContact CG-CD1 4.39Å; K246-L250 HydrophobicContact CG-CD2 4.19Å; K246-L250 HydrophobicContact CG-CG 4.17Å; K246-L250 VanDerWaalsContact O-CG 3.28Å; K246-L250 WeakPolarHBondContact O-CG 3.44Å; K246-L250 PolarHBondContact O-N 3.45Å; K246-D454 HydrophobicContact CD-CB 4.2Å; K246-D454 IonicContact NZ-OD1 2.63Å; K246-D454 IonicContact NZ-OD2 2.97Å; K246-D454 PolarHBondContact NZ-OD2 3.08Å |
| 247 | Q | 91.2 | Very high | 93.4 | Very high | 154 Ų | 154 | 27.3 Ų | 27.3 | 72% | 0.72 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -59.7 | -47 | -169.9 | 180 | 174.5 | -10.7 | 0 | 0 | 112.8 | N245 L250 A251 | N245-Q247 PolarHBondContact OD1-N 3.49Å; N245-Q247 VanDerWaalsContact OD1-N 3.1Å; Q247-L250 PolarHBondContact O-N 3.48Å; Q247-A251 PolarHBondContact O-N 3.04Å |
| 248 | D | 92.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.4 | -73.8 | -18.7 | 0 | 0 | 0 | 111.3 | S166 V225 Y242 N245 K246 L250 A251 L252 | S166-D248 VanDerWaalsContact CB-OD2 3.3Å; S166-D248 WeakPolarHBondContact CB-OD2 3.41Å; V225-D248 HydrophobicContact CB-CB 4.16Å; V225-D248 HydrophobicContact CG1-CB 4.05Å; V225-D248 HydrophobicContact CG2-CB 4.16Å; Y242-D248 HydrophobicContact CE2-CB 4.15Å; Y242-D248 VanDerWaalsContact OH-CB 3.23Å; Y242-D248 WeakPolarHBondContact OH-CB 3.4Å; N245-D248 PolarHBondContact ND2-OD2 3.08Å; N245-D248 WeakPolarHBondContact OD1-CB 3.42Å; N245-D248 PolarHBondContact OD1-N 2.92Å; K246-D248 PolarHBondContact O-N 3.44Å; D248-L250 VanDerWaalsContact C-N 3.33Å; D248-L250 PolarHBondContact O-N 3Å; D248-A251 PolarHBondContact O-N 2.93Å; D248-L252 WeakPolarHBondContact O-CB 3.37Å; D248-L252 PolarHBondContact O-N 3.41Å |
| 249 | G | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K246 L252 C253 | K246-G249 PolarHBondContact O-N 2.93Å; K246-G249 VanDerWaalsContact O-N 3.17Å; G249-L252 PolarHBondContact O-N 2.89Å; G249-C253 PolarHBondContact O-N 3.02Å; G249-C253 PolarHBondContact O-SG 3.4Å; G249-C253 VanDerWaalsContact O-SG 3.38Å |
| 250 | L | 92.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 15% | 0.147 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.9 | -54.3 | -162.4 | 0 | 0 | 0 | 111.8 | K246 Q247 D248 L252 C253 K254 T747 L750 | K246-L250 HydrophobicContact CG-CD1 4.39Å; K246-L250 HydrophobicContact CG-CD2 4.19Å; K246-L250 HydrophobicContact CG-CG 4.17Å; K246-L250 VanDerWaalsContact O-CG 3.28Å; K246-L250 WeakPolarHBondContact O-CG 3.44Å; K246-L250 PolarHBondContact O-N 3.45Å; Q247-L250 PolarHBondContact O-N 3.48Å; D248-L250 VanDerWaalsContact C-N 3.33Å; D248-L250 PolarHBondContact O-N 3Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 3.43Å; L250-C253 PolarHBondContact O-N 2.92Å; L250-K254 WeakPolarHBondContact O-CG 3.49Å; L250-K254 PolarHBondContact O-N 3.14Å; L250-T747 WeakPolarHBondContact CD1-O 3.48Å; L250-T747 WeakPolarHBondContact CD2-O 3.45Å; L250-L750 HydrophobicContact CD2-CD1 4.4Å |
| 251 | A | 93.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 32% | 0.322 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V225 Q247 D248 K254 A255 | V225-A251 HydrophobicContact CG1-CB 4.2Å; Q247-A251 PolarHBondContact O-N 3.04Å; D248-A251 PolarHBondContact O-N 2.93Å; A251-K254 PolarHBondContact O-N 2.85Å; A251-A255 VanDerWaalsContact O-CB 3.22Å; A251-A255 WeakPolarHBondContact O-CB 3.2Å; A251-A255 PolarHBondContact O-N 2.93Å |
| 252 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 176.2 | -176.9 | 62.4 | 0 | 0 | 0 | 112.5 | V164 V225 A229 I240 Y242 D248 G249 L250 K254 A255 S256 | V164-L252 HydrophobicContact CB-CD2 4.04Å; V164-L252 HydrophobicContact CG1-CD2 4.24Å; V164-L252 HydrophobicContact CG2-CD2 4.11Å; V225-L252 HydrophobicContact CG2-CB 4.14Å; V225-L252 HydrophobicContact CG2-CD2 4.22Å; A229-L252 HydrophobicContact CB-CD1 4.08Å; I240-L252 HydrophobicContact CG2-CD2 3.77Å; I240-L252 HydrophobicContact CG2-CG 4.31Å; Y242-L252 HydrophobicContact CD2-CD2 3.62Å; Y242-L252 HydrophobicContact CG-CD2 3.96Å; D248-L252 WeakPolarHBondContact O-CB 3.37Å; D248-L252 PolarHBondContact O-N 3.41Å; G249-L252 PolarHBondContact O-N 2.89Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 3.43Å; L252-K254 PolarHBondContact O-N 3.03Å; L252-A255 PolarHBondContact O-N 3.23Å; L252-S256 WeakPolarHBondContact O-CB 3.48Å; L252-S256 PolarHBondContact O-N 3.26Å; L252-S256 PolarHBondContact O-OG 2.96Å |
| 253 | C | 93.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 174.1 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | G249 L250 S256 A257 T747 | G249-C253 PolarHBondContact O-N 3.02Å; G249-C253 PolarHBondContact O-SG 3.4Å; G249-C253 VanDerWaalsContact O-SG 3.38Å; L250-C253 PolarHBondContact O-N 2.92Å; C253-S256 PolarHBondContact O-N 3.04Å; C253-S256 PolarHBondContact O-OG 3.28Å; C253-A257 PolarHBondContact O-N 2.99Å; C253-A257 VanDerWaalsContact O-N 3.14Å; C253-T747 HydrophobicContact CB-CG2 3.45Å; C253-T747 VanDerWaalsContact CB-CG2 3.45Å |
| 254 | K | 93.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.6 | -70.6 | 177.9 | -179.1 | 179.1 | 0 | 112.2 | L250 A251 L252 S256 A257 T747 | L250-K254 WeakPolarHBondContact O-CG 3.49Å; L250-K254 PolarHBondContact O-N 3.14Å; A251-K254 PolarHBondContact O-N 2.85Å; L252-K254 PolarHBondContact O-N 3.03Å; K254-S256 VanDerWaalsContact C-N 3.3Å; K254-S256 PolarHBondContact O-N 3.07Å; K254-A257 WeakPolarHBondContact O-CB 3.27Å; K254-A257 PolarHBondContact O-N 3.26Å; K254-T747 WeakPolarHBondContact CE-OG1 3.41Å; K254-T747 HydrophobicContact CG-CG2 4.27Å |
| 255 | A | 93.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.5 | -24.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T226 A229 A251 L252 M259 | T226-A255 HydrophobicContact CG2-CB 4.46Å; A229-A255 HydrophobicContact CB-CB 3.6Å; A251-A255 VanDerWaalsContact O-CB 3.22Å; A251-A255 WeakPolarHBondContact O-CB 3.2Å; A251-A255 PolarHBondContact O-N 2.93Å; L252-A255 PolarHBondContact O-N 3.23Å; A255-M259 WeakPolarHBondContact O-CE 3.23Å |
| 256 | S | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -95.7 | -4.6 | 178.2 | 57.2 | 0 | 0 | 0 | 0 | 114 | L252 C253 K254 G258 M259 V263 | L252-S256 WeakPolarHBondContact O-CB 3.48Å; L252-S256 PolarHBondContact O-N 3.26Å; L252-S256 PolarHBondContact O-OG 2.96Å; C253-S256 PolarHBondContact O-N 3.04Å; C253-S256 PolarHBondContact O-OG 3.28Å; K254-S256 VanDerWaalsContact C-N 3.3Å; K254-S256 PolarHBondContact O-N 3.07Å; S256-G258 PolarHBondContact O-N 3.33Å; S256-M259 WeakPolarHBondContact O-CB 3.47Å; S256-M259 WeakPolarHBondContact O-CG 3.38Å; S256-M259 PolarHBondContact O-N 3.29Å; S256-M259 VanDerWaalsContact O-N 3.16Å; S256-V263 WeakPolarHBondContact OG-CG2 3.25Å |
| 257 | A | 92.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 130.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C253 K254 M259 Q740 Q743 H744 | C253-A257 PolarHBondContact O-N 2.99Å; C253-A257 VanDerWaalsContact O-N 3.14Å; K254-A257 WeakPolarHBondContact O-CB 3.27Å; K254-A257 PolarHBondContact O-N 3.26Å; A257-M259 VanDerWaalsContact C-N 3.32Å; A257-Q740 HydrophobicContact CB-CG 4.34Å; A257-Q743 HydrophobicContact CB-CB 3.92Å; A257-H744 HydrophobicContact CB-CB 3.79Å |
| 258 | G | 88.2 | Confident | 91.1 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -4.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S256 G260 P483 | S256-G258 PolarHBondContact O-N 3.33Å; G258-G260 PolarHBondContact O-N 3.45Å; G258-P483 WeakPolarHBondContact O-CA 3.35Å |
| 259 | M | 88.3 | Confident | 90.7 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -78.1 | -7 | 174.4 | -59.7 | -177.9 | -173.3 | 0 | 0 | 113.2 | A229 R233 A255 S256 A257 V261 R480 P483 | A229-M259 HydrophobicContact CB-CE 4.45Å; R233-M259 HydrophobicContact CG-CE 3.57Å; R233-M259 HydrophobicContact CG-SD 3.82Å; A255-M259 WeakPolarHBondContact O-CE 3.23Å; S256-M259 WeakPolarHBondContact O-CB 3.47Å; S256-M259 WeakPolarHBondContact O-CG 3.38Å; S256-M259 PolarHBondContact O-N 3.29Å; S256-M259 VanDerWaalsContact O-N 3.16Å; A257-M259 VanDerWaalsContact C-N 3.32Å; M259-V261 HydrophobicContact CB-CG2 4.23Å; M259-V261 PolarHBondContact O-N 2.97Å; M259-R480 WeakPolarHBondContact O-CD 3.28Å; M259-R480 PolarHBondContact O-NH1 3.26Å; M259-P483 HydrophobicContact CG-CG 4.19Å |
| 260 | G | 85.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 32% | 0.32 | 15% | 0.151 | S | C | . | . | trans | 65.1 | 18.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G258 | G258-G260 PolarHBondContact O-N 3.45Š| ||
| 261 | V | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -101 | 122.8 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | V237 I240 M259 R480 Q743 | V237-V261 HydrophobicContact CG1-CG1 4.18Å; I240-V261 HydrophobicContact CD1-CG1 4.41Å; I240-V261 HydrophobicContact CG1-CG1 3.81Å; M259-V261 HydrophobicContact CB-CG2 4.23Å; M259-V261 PolarHBondContact O-N 2.97Å; V261-R480 VanDerWaalsContact CG2-NH1 3.26Å; V261-Q743 PolarHBondContact O-NE2 2.73Å | ||
| 262 | P | 91.8 | Very high | 90 | Very high | 75 Ų | 75 | 19.6 Ų | 19.6 | 49% | 0.487 | 13% | 0.131 | S | C | . | . | trans | -61.8 | 146 | 172.1 | -22.3 | 33.5 | 0 | 0 | 0 | 111.9 | R238 L239 I240 | R238-P262 WeakPolarHBondContact O-CD 3.35Å; L239-P262 HydrophobicContact CD1-CB 4.23Å; I240-P262 PolarHBondContact N-O 3.34Å | ||
| 263 | V | 93.9 | Very high | 90 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 113.2 | 177 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | I240 S256 V265 | I240-V263 HydrophobicContact CB-CB 4.5Å; I240-V263 HydrophobicContact CB-CG1 4.2Å; I240-V263 HydrophobicContact CB-CG2 4.26Å; I240-V263 HydrophobicContact CD1-CG2 4.16Å; I240-V263 HydrophobicContact CG2-CG1 4.17Å; I240-V263 CarbonylContact O-C 3.54Å; I240-V263 WeakPolarHBondContact O-CA 3.42Å; S256-V263 WeakPolarHBondContact OG-CG2 3.25Å; V263-V265 HydrophobicContact CG1-CG2 3.85Å |
| 264 | S | 94.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.4 | 170.3 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | I240 Y242 G458 Q468 | I240-S264 PolarHBondContact O-N 3.32Å; Y242-S264 PolarHBondContact N-O 3.2Å; S264-G458 VanDerWaalsContact OG-CA 3.29Å; S264-G458 WeakPolarHBondContact OG-CA 3.36Å; S264-Q468 PolarHBondContact OG-OE1 3.35Å |
| 265 | V | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.5 | -175.9 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | Y242 V263 G456 T457 G458 L750 | Y242-V265 HydrophobicContact CD1-CG1 3.91Å; Y242-V265 HydrophobicContact CE1-CG1 4.47Å; V263-V265 HydrophobicContact CG1-CG2 3.85Å; V265-G456 CarbonylContact O-C 3.6Å; V265-G456 WeakPolarHBondContact O-CA 3.21Å; V265-T457 PolarHBondContact N-OG1 3.48Å; V265-T457 PolarHBondContact O-N 3.03Å; V265-G458 PolarHBondContact O-N 2.99Å; V265-G458 VanDerWaalsContact O-N 3.11Å; V265-L750 HydrophobicContact CB-CD2 4.09Å; V265-L750 HydrophobicContact CG1-CD2 3.97Å |
| 266 | S | 91.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 13 Ų | 13 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 104.7 | 170.1 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | K177 Y242 C243 G244 C268 D460 | K177-S266 PolarHBondContact NZ-OG 3.06Å; Y242-S266 PolarHBondContact O-N 2.81Å; C243-S266 WeakPolarHBondContact CA-O 3.42Å; G244-S266 PolarHBondContact N-O 3.1Å; G244-S266 VanDerWaalsContact N-O 3.1Å; S266-C268 PolarHBondContact O-N 3.48Å; S266-D460 WeakPolarHBondContact CB-OD2 3.49Å; S266-D460 PolarHBondContact OG-OD2 2.7Å |
| 267 | S | 85.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 91.2 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 110.3 | G244 S455 | G244-S267 CarbonylContact O-C 3.53Å; G244-S267 VanDerWaalsContact O-CA 3.22Å; G244-S267 WeakPolarHBondContact O-CA 3.38Å; S267-S455 WeakPolarHBondContact CA-O 3.43Å; S267-S455 WeakPolarHBondContact CB-O 3.27Å; S267-S455 PolarHBondContact N-O 2.85Å |
| 268 | C | 78.5 | Confident | 91.2 | Very high | 18 Ų | 18 | 12.8 Ų | 12.8 | 12% | 0.122 | 9% | 0.092 | C | C | . | . | trans | -99.5 | -9.1 | -179.2 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | G244 S266 | G244-C268 PolarHBondContact O-N 3.27Å; S266-C268 PolarHBondContact O-N 3.48Å | ||
| 269 | V | 83.4 | Confident | 91.7 | Very high | 29 Ų | 29 | 17.8 Ų | 17.8 | 18% | 0.176 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -108 | 130.7 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | D168 G244 N245 A271 E299 | D168-V269 HydrophobicContact CB-CG1 4.27Å; G244-V269 PolarHBondContact O-N 3.16Å; G244-V269 VanDerWaalsContact O-N 3.1Å; N245-V269 HydrophobicContact CB-CB 4.42Å; V269-A271 PolarHBondContact O-N 3.25Å; V269-E299 WeakPolarHBondContact CA-O 3.19Å |
| 270 | G | 83.4 | Confident | 92.1 | Very high | 26 Ų | 26 | 19.6 Ų | 19.6 | 27% | 0.268 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 72.6 | 10 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E299 H301 | G270-E299 PolarHBondContact N-O 3.34Å; G270-H301 PolarHBondContact O-ND1 3.16Å |
| 271 | A | 88.8 | Confident | 92.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | trans | -65 | 139.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V269 V300 H301 H409 H411 | V269-A271 PolarHBondContact O-N 3.25Å; A271-V300 HydrophobicContact CB-CG1 4.44Å; A271-V300 WeakPolarHBondContact O-CB 3.39Å; A271-H301 PolarHBondContact O-N 2.75Å; A271-H409 HydrophobicContact CB-CB 4.31Å; A271-H411 HydrophobicContact CB-CB 3.69Å | ||
| 272 | T | 92.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.3 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | H301 V303 P383 S407 | T272-H301 CarbonylContact C-O 3.54Å; T272-H301 WeakPolarHBondContact CA-O 3.01Å; T272-V303 HydrophobicContact CG2-CG2 3.53Å; T272-P383 HydrophobicContact CG2-CG 4.05Å; T272-P383 WeakPolarHBondContact OG1-CD 3.48Å; T272-S407 PolarHBondContact O-OG 3.42Å |
| 273 | C | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.3 | -171.1 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | H301 W302 V303 A412 | C273-H301 PolarHBondContact N-O 3.41Å; C273-W302 HydrophobicContact CB-CD2 4.34Å; C273-W302 HydrophobicContact CB-CE3 3.74Å; C273-W302 HydrophobicContact CB-CH2 4.33Å; C273-W302 HydrophobicContact CB-CZ3 3.74Å; C273-W302 WeakPolarHBondContact O-CA 3.4Å; C273-V303 PolarHBondContact O-N 3.28Å; C273-A412 WeakPolarHBondContact CB-O 3.41Å |
| 274 | P | 96.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 140.8 | 175.8 | 31 | -35.2 | 0 | 0 | 0 | 112.3 | I276 A412 A413 S414 | P274-I276 HydrophobicContact CB-CG1 4.25Å; P274-A412 WeakPolarHBondContact CD-O 3.27Å; P274-A413 HydrophobicContact CG-CB 3.78Å; P274-A413 WeakPolarHBondContact O-CA 3.35Å; P274-S414 PolarHBondContact O-N 3.4Å |
| 275 | F | 97.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 109.8 | 168.1 | -167 | -74.7 | 0 | 0 | 0 | 107.9 | I277 E289 V290 I293 W302 V303 L304 C305 S414 W416 | F275-I277 HydrophobicContact CD1-CD1 4.25Å; F275-I277 HydrophobicContact CD1-CG1 3.89Å; F275-I277 HydrophobicContact CE1-CD1 3.88Å; F275-I277 HydrophobicContact CE1-CG1 3.71Å; F275-E289 HydrophobicContact CE2-CG 4.29Å; F275-E289 HydrophobicContact CZ-CB 4.31Å; F275-V290 HydrophobicContact CD1-CG2 3.69Å; F275-V290 HydrophobicContact CD2-CG2 4.37Å; F275-V290 HydrophobicContact CE1-CG2 3.31Å; F275-V290 HydrophobicContact CE2-CG2 4.04Å; F275-V290 HydrophobicContact CG-CG2 4.18Å; F275-V290 HydrophobicContact CZ-CG2 3.46Å; F275-V290 VanDerWaalsContact CZ-CG2 3.46Å; F275-I293 HydrophobicContact CD2-CD1 3.23Å; F275-I293 HydrophobicContact CE2-CD1 3.3Å; F275-I293 HydrophobicContact CG-CD1 4.33Å; F275-I293 HydrophobicContact CZ-CD1 4.42Å; F275-W302 HydrophobicContact CB-CE3 3.97Å; F275-W302 HydrophobicContact CB-CZ3 4.48Å; F275-W302 HydrophobicContact CD2-CE3 4.21Å; F275-W302 HydrophobicContact CD2-CZ3 4.3Å; F275-V303 PolarHBondContact N-O 2.63Å; F275-L304 HydrophobicContact CB-CD1 4.25Å; F275-L304 HydrophobicContact CD1-CD1 3.53Å; F275-L304 HydrophobicContact CE1-CD1 4.27Å; F275-L304 HydrophobicContact CG-CD1 4.24Å; F275-L304 CarbonylContact O-C 3.58Å; F275-C305 PolarHBondContact O-N 2.97Å; F275-S414 CarbonylContact C-O 3.56Å; F275-S414 WeakPolarHBondContact CA-O 3.35Å; F275-S414 VanDerWaalsContact CD2-CB 3.5Å; F275-S414 WeakPolarHBondContact CE2-OG 3.48Å; F275-W416 AromaticContact CE1-CD1 3.32Å; F275-W416 HydrophobicContact CE1-CG 4.09Å; F275-W416 AromaticContact CE1-NE1 3.42Å; F275-W416 AromaticContact CE2-NE1 3.42Å; F275-W416 AromaticContact CZ-CD1 3.38Å; F275-W416 HydrophobicContact CZ-CD2 4.33Å; F275-W416 AromaticContact CZ-CE2 3.54Å; F275-W416 HydrophobicContact CZ-CG 4.24Å; F275-W416 HydrophobicContact CZ-CZ2 4.12Å; F275-W416 AromaticContact CZ-NE1 2.9Å |
| 276 | I | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.1 | -168.6 | -54.8 | 178.3 | 0 | 0 | 0 | 109.4 | P274 F278 C305 F394 A400 S414 I415 W416 T426 L430 | P274-I276 HydrophobicContact CB-CG1 4.25Å; I276-F278 HydrophobicContact CG2-CD2 4.11Å; I276-F278 HydrophobicContact CG2-CE2 3.67Å; I276-F278 HydrophobicContact CG2-CZ 3.99Å; I276-C305 CarbonylContact C-O 3.58Å; I276-C305 WeakPolarHBondContact CA-O 3.4Å; I276-C305 HydrophobicContact CG1-CB 4.22Å; I276-F394 HydrophobicContact CG2-CE1 3.75Å; I276-F394 HydrophobicContact CG2-CZ 3.82Å; I276-A400 HydrophobicContact CG2-CB 3.98Å; I276-S414 PolarHBondContact N-O 3.33Å; I276-I415 CarbonylContact O-C 3.49Å; I276-W416 PolarHBondContact O-N 3.4Å; I276-T426 HydrophobicContact CD1-CG2 4.21Å; I276-L430 HydrophobicContact CD1-CD1 4.04Å; I276-L430 HydrophobicContact CD1-CD2 4.16Å |
| 277 | I | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 113.8 | 175.9 | -56.1 | -178.8 | 0 | 0 | 0 | 109.2 | F275 A281 I283 A286 L304 C305 V306 Q307 V314 F394 W416 | F275-I277 HydrophobicContact CD1-CD1 4.25Å; F275-I277 HydrophobicContact CD1-CG1 3.89Å; F275-I277 HydrophobicContact CE1-CD1 3.88Å; F275-I277 HydrophobicContact CE1-CG1 3.71Å; I277-A281 HydrophobicContact CG2-CB 3.95Å; I277-I283 HydrophobicContact CG2-CD1 3.69Å; I277-A286 HydrophobicContact CD1-CB 3.91Å; I277-A286 HydrophobicContact CG1-CB 4.27Å; I277-L304 HydrophobicContact CD1-CD1 3.76Å; I277-L304 HydrophobicContact CG1-CD1 4.08Å; I277-C305 PolarHBondContact N-O 2.86Å; I277-V306 HydrophobicContact CB-CG1 4.45Å; I277-Q307 PolarHBondContact O-N 3.36Å; I277-V314 HydrophobicContact CD1-CG1 4.3Å; I277-V314 HydrophobicContact CD1-CG2 4.3Å; I277-V314 HydrophobicContact CG2-CG2 4.31Å; I277-F394 WeakPolarHBondContact O-CZ 3.39Å; I277-W416 HydrophobicContact CG1-CB 4.34Å |
| 278 | F | 98.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | trans | -86.4 | 165.6 | 170.3 | -69.4 | -81.3 | 0 | 0 | 0 | 111.6 | I276 S280 A281 F394 N397 A400 I415 W416 T417 L422 T426 | I276-F278 HydrophobicContact CG2-CD2 4.11Å; I276-F278 HydrophobicContact CG2-CE2 3.67Å; I276-F278 HydrophobicContact CG2-CZ 3.99Å; F278-S280 PolarHBondContact O-N 3.2Å; F278-A281 VanDerWaalsContact O-CB 3.22Å; F278-A281 WeakPolarHBondContact O-CB 3.25Å; F278-A281 PolarHBondContact O-N 2.98Å; F278-A281 VanDerWaalsContact O-N 3.16Å; F278-F394 AromaticContact CD1-CE2 3.64Å; F278-F394 HydrophobicContact CD1-CE2 3.64Å; F278-F394 AromaticContact CD1-CZ 3.72Å; F278-F394 HydrophobicContact CD1-CZ 3.72Å; F278-F394 AromaticContact CE1-CE2 3.56Å; F278-F394 HydrophobicContact CE1-CE2 3.56Å; F278-F394 AromaticContact CE1-CZ 3.8Å; F278-F394 HydrophobicContact CE1-CZ 3.8Å; F278-F394 HydrophobicContact CG-CZ 4.24Å; F278-F394 HydrophobicContact CZ-CE2 4.44Å; F278-F394 HydrophobicContact CZ-CZ 4.39Å; F278-N397 HydrophobicContact CE1-CB 4.28Å; F278-N397 HydrophobicContact CZ-CB 4.47Å; F278-A400 HydrophobicContact CE1-CB 4.26Å; F278-A400 HydrophobicContact CZ-CB 4.07Å; F278-I415 HydrophobicContact CD2-CG2 4.17Å; F278-I415 HydrophobicContact CE2-CG2 3.89Å; F278-W416 PolarHBondContact N-O 3.29Å; F278-T417 HydrophobicContact CD2-CG2 4.34Å; F278-L422 HydrophobicContact CB-CD2 4.15Å; F278-L422 HydrophobicContact CD1-CD2 3.69Å; F278-L422 HydrophobicContact CD1-CG 4.41Å; F278-L422 HydrophobicContact CD2-CD2 4.05Å; F278-L422 HydrophobicContact CD2-CG 4.32Å; F278-L422 HydrophobicContact CE1-CD1 4.02Å; F278-L422 HydrophobicContact CE1-CD2 4.02Å; F278-L422 HydrophobicContact CE1-CG 4.29Å; F278-L422 HydrophobicContact CE2-CD1 4.47Å; F278-L422 HydrophobicContact CE2-CD2 4.35Å; F278-L422 HydrophobicContact CE2-CG 4.19Å; F278-L422 HydrophobicContact CG-CD2 3.7Å; F278-L422 HydrophobicContact CG-CG 4.42Å; F278-L422 HydrophobicContact CZ-CD1 3.98Å; F278-L422 HydrophobicContact CZ-CD2 4.34Å; F278-L422 HydrophobicContact CZ-CG 4.18Å; F278-T426 HydrophobicContact CE2-CG2 4.21Å; F278-T426 HydrophobicContact CZ-CG2 4.2Å | ||
| 279 | E | 98.2 | Very high | 95.4 | Very high | 109 Ų | 109 | 26 Ų | 26 | 51% | 0.509 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.4 | -178.4 | 71.2 | -172.1 | 170 | 0 | 0 | 114.3 | A281 Q307 S309 V310 | E279-A281 VanDerWaalsContact C-N 3.27Å; E279-A281 PolarHBondContact O-N 2.83Å; E279-Q307 PolarHBondContact OE2-NE2 3.17Å; E279-S309 VanDerWaalsContact CB-OG 3.31Å; E279-S309 WeakPolarHBondContact CB-OG 3.4Å; E279-S309 PolarHBondContact OE2-OG 3.35Å; E279-V310 HydrophobicContact CB-CG1 3.86Å |
| 280 | S | 97.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 24.8 Ų | 24.8 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.9 | 176.9 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | F278 T417 E418 | F278-S280 PolarHBondContact O-N 3.2Å; S280-T417 PolarHBondContact OG-OG1 3.47Å; S280-E418 WeakPolarHBondContact O-CB 3.38Å; S280-E418 WeakPolarHBondContact O-CG 3.37Å; S280-E418 PolarHBondContact O-N 3.35Å; S280-E418 VanDerWaalsContact O-N 3.08Å |
| 281 | A | 98.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 24 Ų | 24 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -72.7 | 151.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I277 F278 E279 I283 W416 | I277-A281 HydrophobicContact CG2-CB 3.95Å; F278-A281 VanDerWaalsContact O-CB 3.22Å; F278-A281 WeakPolarHBondContact O-CB 3.25Å; F278-A281 PolarHBondContact O-N 2.98Å; F278-A281 VanDerWaalsContact O-N 3.16Å; E279-A281 VanDerWaalsContact C-N 3.27Å; E279-A281 PolarHBondContact O-N 2.83Å; A281-I283 VanDerWaalsContact C-N 3.35Å; A281-I283 HydrophobicContact CB-CD1 4.06Å; A281-I283 PolarHBondContact O-N 2.83Å; A281-W416 HydrophobicContact CB-CB 3.86Å; A281-W416 WeakPolarHBondContact CB-O 3.33Å |
| 282 | D | 97.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 27.6 Ų | 27.6 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | trans | -66 | 96.4 | 154.7 | -179.7 | -3.7 | 0 | 0 | 0 | 109.6 | D284 S285 A286 | D282-D284 VanDerWaalsContact C-N 3.3Å; D282-D284 PolarHBondContact O-N 3.25Å; D282-D284 PolarHBondContact OD1-N 3.2Å; D282-D284 VanDerWaalsContact OD1-N 3.13Å; D282-S285 PolarHBondContact O-N 3.08Å; D282-S285 PolarHBondContact OD1-N 3.47Å; D282-S285 VanDerWaalsContact OD2-CB 3.25Å; D282-S285 WeakPolarHBondContact OD2-CB 3.16Å; D282-S285 PolarHBondContact OD2-OG 3.38Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.41Å; D282-A286 PolarHBondContact O-N 3.22Å | ||
| 283 | I | 98.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -34.8 | -175.7 | -55.2 | -60.1 | 0 | 0 | 0 | 111.9 | I277 A281 V287 V310 V314 | I277-I283 HydrophobicContact CG2-CD1 3.69Å; A281-I283 VanDerWaalsContact C-N 3.35Å; A281-I283 HydrophobicContact CB-CD1 4.06Å; A281-I283 PolarHBondContact O-N 2.83Å; I283-V287 HydrophobicContact CG2-CG2 4.22Å; I283-V287 WeakPolarHBondContact O-CB 3.49Å; I283-V287 VanDerWaalsContact O-CG2 3.24Å; I283-V287 WeakPolarHBondContact O-CG2 3.48Å; I283-V287 PolarHBondContact O-N 3Å; I283-V310 HydrophobicContact CD1-CB 4.19Å; I283-V310 HydrophobicContact CD1-CG1 4.47Å; I283-V310 HydrophobicContact CD1-CG2 4.11Å; I283-V314 HydrophobicContact CD1-CG2 4.2Å; I283-V314 HydrophobicContact CG2-CG2 3.69Å |
| 284 | D | 97.7 | Very high | 95.9 | Very high | 69 Ų | 69 | 28.4 Ų | 28.4 | 37% | 0.369 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.1 | -47.5 | -178.2 | -79.3 | -64.4 | 0 | 0 | 0 | 110.4 | D282 V287 D288 R317 | D282-D284 VanDerWaalsContact C-N 3.3Å; D282-D284 PolarHBondContact O-N 3.25Å; D282-D284 PolarHBondContact OD1-N 3.2Å; D282-D284 VanDerWaalsContact OD1-N 3.13Å; D284-V287 PolarHBondContact O-N 3.45Å; D284-D288 WeakPolarHBondContact O-CB 3.13Å; D284-D288 PolarHBondContact O-N 3.39Å; D284-R317 VanDerWaalsContact OD1-CD 3.27Å; D284-R317 WeakPolarHBondContact OD1-CD 3.29Å; D284-R317 IonicContact OD1-CZ 3.01Å; D284-R317 IonicContact OD1-NE 3.55Å; D284-R317 PolarHBondContact OD1-NE 2.96Å; D284-R317 IonicContact OD1-NH2 3.36Å; D284-R317 IonicContact OD2-CZ 2.84Å; D284-R317 IonicContact OD2-NE 3.32Å; D284-R317 PolarHBondContact OD2-NE 3.32Å; D284-R317 VanDerWaalsContact OD2-NE 3.14Å; D284-R317 IonicContact OD2-NH2 2.69Å; D284-R317 PolarHBondContact OD2-NH2 3.17Å |
| 285 | S | 97.3 | Very high | 95.6 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 38% | 0.378 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.4 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | D282 V287 D288 E289 | D282-S285 PolarHBondContact O-N 3.08Å; D282-S285 PolarHBondContact OD1-N 3.47Å; D282-S285 VanDerWaalsContact OD2-CB 3.25Å; D282-S285 WeakPolarHBondContact OD2-CB 3.16Å; D282-S285 PolarHBondContact OD2-OG 3.38Å; S285-V287 PolarHBondContact O-N 3.43Å; S285-D288 PolarHBondContact O-N 3.33Å; S285-E289 PolarHBondContact O-N 3.16Å |
| 286 | A | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I277 D282 E289 V290 W416 | I277-A286 HydrophobicContact CD1-CB 3.91Å; I277-A286 HydrophobicContact CG1-CB 4.27Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.41Å; D282-A286 PolarHBondContact O-N 3.22Å; A286-E289 PolarHBondContact O-N 3.38Å; A286-V290 WeakPolarHBondContact O-CG2 3.38Å; A286-V290 PolarHBondContact O-N 3.09Å; A286-W416 VanDerWaalsContact CA-CE3 3.44Å; A286-W416 HydrophobicContact CB-CB 4.13Å; A286-W416 HydrophobicContact CB-CD2 3.49Å; A286-W416 VanDerWaalsContact CB-CD2 3.49Å; A286-W416 HydrophobicContact CB-CE3 3.43Å; A286-W416 VanDerWaalsContact CB-CE3 3.43Å; A286-W416 HydrophobicContact CB-CG 3.8Å; A286-W416 HydrophobicContact CB-CZ3 4.04Å; A286-W416 VanDerWaalsContact N-CZ3 3.31Å |
| 287 | V | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 178.7 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | I283 D284 S285 E289 V290 I291 V314 R317 L318 R321 | I283-V287 HydrophobicContact CG2-CG2 4.22Å; I283-V287 WeakPolarHBondContact O-CB 3.49Å; I283-V287 VanDerWaalsContact O-CG2 3.24Å; I283-V287 WeakPolarHBondContact O-CG2 3.48Å; I283-V287 PolarHBondContact O-N 3Å; D284-V287 PolarHBondContact O-N 3.45Å; S285-V287 PolarHBondContact O-N 3.43Å; V287-E289 VanDerWaalsContact C-N 3.29Å; V287-E289 PolarHBondContact O-N 3.48Å; V287-V290 WeakPolarHBondContact O-CB 3.22Å; V287-V290 PolarHBondContact O-N 3.36Å; V287-I291 HydrophobicContact CG1-CG1 4.49Å; V287-I291 VanDerWaalsContact O-CG1 3.3Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 2.9Å; V287-V314 HydrophobicContact CG2-CG1 4.08Å; V287-R317 HydrophobicContact CB-CB 4.28Å; V287-R317 HydrophobicContact CG1-CB 3.91Å; V287-R317 HydrophobicContact CG2-CB 4.05Å; V287-L318 HydrophobicContact CG1-CD2 3.88Å; V287-L318 HydrophobicContact CG1-CG 4.05Å; V287-L318 HydrophobicContact CG2-CG 4.4Å; V287-R321 HydrophobicContact CG1-CG 4.34Å |
| 288 | D | 95.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.8 | -83 | -19.4 | 0 | 0 | 0 | 111.8 | D284 S285 I291 Q292 R321 | D284-D288 WeakPolarHBondContact O-CB 3.13Å; D284-D288 PolarHBondContact O-N 3.39Å; S285-D288 PolarHBondContact O-N 3.33Å; D288-I291 PolarHBondContact O-N 3.21Å; D288-Q292 WeakPolarHBondContact O-CG 3.29Å; D288-Q292 PolarHBondContact O-N 3.4Å; D288-R321 IonicContact OD1-CZ 2.75Å; D288-R321 IonicContact OD1-NE 3.04Å; D288-R321 PolarHBondContact OD1-NE 3.33Å; D288-R321 IonicContact OD1-NH1 3.8Å; D288-R321 PolarHBondContact OD1-NH1 3.17Å; D288-R321 IonicContact OD1-NH2 3.53Å; D288-R321 PolarHBondContact OD1-NH2 3.46Å; D288-R321 IonicContact OD2-CZ 2.98Å; D288-R321 VanDerWaalsContact OD2-CZ 3.25Å; D288-R321 IonicContact OD2-NH1 3.34Å; D288-R321 PolarHBondContact OD2-NH1 3.01Å; D288-R321 IonicContact OD2-NH2 3.14Å; D288-R321 PolarHBondContact OD2-NH2 3.27Å |
| 289 | E | 95 | Very high | 90.4 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 174.5 | -166 | 64 | -158.7 | 0 | 0 | 112.1 | F275 S285 A286 V287 I291 Q292 I293 W416 S440 | F275-E289 HydrophobicContact CE2-CG 4.29Å; F275-E289 HydrophobicContact CZ-CB 4.31Å; S285-E289 PolarHBondContact O-N 3.16Å; A286-E289 PolarHBondContact O-N 3.38Å; V287-E289 VanDerWaalsContact C-N 3.29Å; V287-E289 PolarHBondContact O-N 3.48Å; E289-I291 PolarHBondContact O-N 3.22Å; E289-Q292 WeakPolarHBondContact O-CB 3.43Å; E289-Q292 PolarHBondContact O-N 3.27Å; E289-I293 HydrophobicContact CG-CG2 4.23Å; E289-I293 WeakPolarHBondContact O-CG1 3.44Å; E289-I293 PolarHBondContact O-N 2.87Å; E289-W416 HydrophobicContact CB-CH2 3.9Å; E289-W416 HydrophobicContact CB-CZ2 3.49Å; E289-W416 VanDerWaalsContact CB-CZ2 3.49Å; E289-W416 HydrophobicContact CG-CH2 4.5Å; E289-W416 HydrophobicContact CG-CZ2 3.8Å; E289-S440 WeakPolarHBondContact OE1-CB 3.3Å; E289-S440 PolarHBondContact OE1-OG 3.01Å |
| 290 | V | 94.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.4 | -44.8 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | F275 A286 V287 Q292 I293 A294 L304 L318 L389 | F275-V290 HydrophobicContact CD1-CG2 3.69Å; F275-V290 HydrophobicContact CD2-CG2 4.37Å; F275-V290 HydrophobicContact CE1-CG2 3.31Å; F275-V290 HydrophobicContact CE2-CG2 4.04Å; F275-V290 HydrophobicContact CG-CG2 4.18Å; F275-V290 HydrophobicContact CZ-CG2 3.46Å; F275-V290 VanDerWaalsContact CZ-CG2 3.46Å; A286-V290 WeakPolarHBondContact O-CG2 3.38Å; A286-V290 PolarHBondContact O-N 3.09Å; V287-V290 WeakPolarHBondContact O-CB 3.22Å; V287-V290 PolarHBondContact O-N 3.36Å; V290-Q292 VanDerWaalsContact C-N 3.33Å; V290-Q292 PolarHBondContact O-N 2.91Å; V290-I293 WeakPolarHBondContact O-CG1 3.38Å; V290-I293 PolarHBondContact O-N 2.96Å; V290-A294 WeakPolarHBondContact O-CB 3.12Å; V290-A294 PolarHBondContact O-N 3.37Å; V290-L304 HydrophobicContact CG1-CD2 4.46Å; V290-L304 HydrophobicContact CG2-CD1 3.96Å; V290-L318 HydrophobicContact CB-CD2 4.37Å; V290-L318 HydrophobicContact CG1-CD2 3.81Å; V290-L389 HydrophobicContact CG1-CD2 3.42Å; V290-L389 VanDerWaalsContact CG1-CD2 3.42Å |
| 291 | I | 92.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 179.2 | -65.8 | -69.3 | 0 | 0 | 0 | 111.6 | V287 D288 E289 F295 L318 R321 M322 I325 | V287-I291 HydrophobicContact CG1-CG1 4.49Å; V287-I291 VanDerWaalsContact O-CG1 3.3Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 2.9Å; D288-I291 PolarHBondContact O-N 3.21Å; E289-I291 PolarHBondContact O-N 3.22Å; I291-F295 HydrophobicContact CD1-CD2 4.06Å; I291-F295 HydrophobicContact CD1-CE2 4.03Å; I291-F295 PolarHBondContact O-N 3.13Å; I291-L318 HydrophobicContact CD1-CD2 4.05Å; I291-L318 HydrophobicContact CG1-CD2 4.44Å; I291-R321 HydrophobicContact CD1-CB 4.01Å; I291-R321 HydrophobicContact CG1-CB 3.8Å; I291-M322 HydrophobicContact CD1-CG 3.63Å; I291-I325 HydrophobicContact CG2-CD1 3.48Å; I291-I325 VanDerWaalsContact CG2-CD1 3.48Å |
| 292 | Q | 90.5 | Very high | 89.1 | Confident | 78 Ų | 78 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.4 | -47.6 | 178.2 | -63.7 | -69.8 | -27 | 0 | 0 | 111.5 | D288 E289 V290 K296 K297 | D288-Q292 WeakPolarHBondContact O-CG 3.29Å; D288-Q292 PolarHBondContact O-N 3.4Å; E289-Q292 WeakPolarHBondContact O-CB 3.43Å; E289-Q292 PolarHBondContact O-N 3.27Å; V290-Q292 VanDerWaalsContact C-N 3.33Å; V290-Q292 PolarHBondContact O-N 2.91Å; Q292-K296 WeakPolarHBondContact O-CA 3.48Å; Q292-K296 VanDerWaalsContact O-CB 3.32Å; Q292-K296 WeakPolarHBondContact O-CB 3.33Å; Q292-K296 PolarHBondContact O-N 2.92Å; Q292-K296 VanDerWaalsContact O-N 3.13Å; Q292-K296 VanDerWaalsContact OE1-CD 3.25Å; Q292-K297 PolarHBondContact O-N 3.02Å; Q292-K297 VanDerWaalsContact O-N 3.07Å |
| 293 | I | 89 | Confident | 89 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -80.3 | -32.1 | -172.5 | 69.2 | -171.7 | 0 | 0 | 0 | 113.9 | F275 E289 V290 W302 S440 | F275-I293 HydrophobicContact CD2-CD1 3.23Å; F275-I293 HydrophobicContact CE2-CD1 3.3Å; F275-I293 HydrophobicContact CG-CD1 4.33Å; F275-I293 HydrophobicContact CZ-CD1 4.42Å; E289-I293 HydrophobicContact CG-CG2 4.23Å; E289-I293 WeakPolarHBondContact O-CG1 3.44Å; E289-I293 PolarHBondContact O-N 2.87Å; V290-I293 WeakPolarHBondContact O-CG1 3.38Å; V290-I293 PolarHBondContact O-N 2.96Å; I293-W302 HydrophobicContact CD1-CD2 3.74Å; I293-W302 HydrophobicContact CD1-CE3 4.28Å; I293-W302 HydrophobicContact CD1-CG 3.95Å; I293-W302 HydrophobicContact CD1-CZ2 4.08Å; I293-W302 HydrophobicContact CG1-CD2 4.3Å; I293-W302 HydrophobicContact CG1-CG 4.09Å; I293-S440 WeakPolarHBondContact CG2-OG 3.43Å |
| 294 | A | 87.8 | Confident | 89 | Confident | 20 Ų | 20 | 41 Ų | 41 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84.1 | -29.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V290 L389 | V290-A294 WeakPolarHBondContact O-CB 3.12Å; V290-A294 PolarHBondContact O-N 3.37Å; A294-L389 HydrophobicContact CB-CD1 4.24Å; A294-L389 HydrophobicContact CB-CD2 4.22Å |
| 295 | F | 88.2 | Confident | 89 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -124.1 | -9.8 | -169.3 | -54.6 | -51.5 | 0 | 0 | 0 | 115.1 | I291 M322 V328 P367 V369 P387 L389 | I291-F295 HydrophobicContact CD1-CD2 4.06Å; I291-F295 HydrophobicContact CD1-CE2 4.03Å; I291-F295 PolarHBondContact O-N 3.13Å; F295-M322 HydrophobicContact CE2-CG 4.21Å; F295-M322 HydrophobicContact CE2-SD 4.39Å; F295-V328 HydrophobicContact CB-CG2 4.06Å; F295-P367 HydrophobicContact CD1-CB 3.94Å; F295-P367 HydrophobicContact CD2-CB 4.08Å; F295-P367 HydrophobicContact CE1-CB 3.87Å; F295-P367 HydrophobicContact CE2-CB 3.99Å; F295-P367 HydrophobicContact CG-CB 4.05Å; F295-P367 HydrophobicContact CG-CG 4.49Å; F295-P367 HydrophobicContact CZ-CB 3.89Å; F295-V369 HydrophobicContact CZ-CG2 4.12Å; F295-P387 HydrophobicContact CD1-CB 3.71Å; F295-P387 HydrophobicContact CE1-CB 4.12Å; F295-P387 WeakPolarHBondContact CE1-O 3.47Å; F295-L389 HydrophobicContact CZ-CB 4.25Å |
| 296 | K | 79.3 | Confident | 89 | Confident | 104 Ų | 104 | 35.1 Ų | 35.1 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -36.3 | 178.6 | -58.5 | 176.8 | -178.2 | 174.9 | 0 | 113.9 | Q292 | Q292-K296 WeakPolarHBondContact O-CA 3.48Å; Q292-K296 VanDerWaalsContact O-CB 3.32Å; Q292-K296 WeakPolarHBondContact O-CB 3.33Å; Q292-K296 PolarHBondContact O-N 2.92Å; Q292-K296 VanDerWaalsContact O-N 3.13Å; Q292-K296 VanDerWaalsContact OE1-CD 3.25Å |
| 297 | K | 70.9 | Confident | 89.1 | Confident | 106 Ų | 106 | 36.2 Ų | 36.2 | 46% | 0.461 | 17% | 0.171 | S | C | . | . | trans | -97.3 | 145.1 | 171.8 | -64.1 | -179.8 | -177.6 | 171 | 0 | 109.8 | Q292 | Q292-K297 PolarHBondContact O-N 3.02Å; Q292-K297 VanDerWaalsContact O-N 3.07Å | ||
| 298 | K | 65.3 | Low | 89.1 | Confident | 119 Ų | 119 | 40.7 Ų | 40.7 | 52% | 0.517 | 19% | 0.192 | S | C | . | . | trans | -130.7 | 26.6 | -171.4 | -68.3 | -171.3 | 175.1 | -174.9 | 0 | 115.1 | P329 | K298-P329 PolarHBondContact NZ-O 3.43Š| ||
| 299 | E | 70.1 | Confident | 89.2 | Confident | 98 Ų | 98 | 41.7 Ų | 41.7 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -81.1 | -39.1 | -177.6 | -65.3 | -173.8 | 160 | 0 | 0 | 112.5 | S128 V269 G270 | S128-E299 PolarHBondContact OG-OE1 2.96Å; V269-E299 WeakPolarHBondContact CA-O 3.19Å; G270-E299 PolarHBondContact N-O 3.34Å |
| 300 | V | 84.1 | Confident | 89.4 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -131.7 | 157.7 | -176.9 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | A271 W302 | A271-V300 HydrophobicContact CB-CG1 4.44Å; A271-V300 WeakPolarHBondContact O-CB 3.39Å; V300-W302 HydrophobicContact CG2-CD2 4.31Å; V300-W302 HydrophobicContact CG2-CZ2 3.75Å |
| 301 | H | 90.2 | Very high | 89.5 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.8 | 171 | -57.1 | 112.2 | 0 | 0 | 0 | 109.3 | G270 A271 T272 C273 P383 | G270-H301 PolarHBondContact O-ND1 3.16Å; A271-H301 PolarHBondContact O-N 2.75Å; T272-H301 CarbonylContact C-O 3.54Å; T272-H301 WeakPolarHBondContact CA-O 3.01Å; C273-H301 PolarHBondContact N-O 3.41Å; H301-P383 HydrophobicContact CB-CB 4.24Å; H301-P383 HydrophobicContact CB-CG 4.11Å |
| 302 | W | 92.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143 | 178.9 | -65.8 | 97.7 | 0 | 0 | 0 | 111 | C273 F275 I293 V300 L389 W436 | C273-W302 HydrophobicContact CB-CD2 4.34Å; C273-W302 HydrophobicContact CB-CE3 3.74Å; C273-W302 HydrophobicContact CB-CH2 4.33Å; C273-W302 HydrophobicContact CB-CZ3 3.74Å; C273-W302 WeakPolarHBondContact O-CA 3.4Å; F275-W302 HydrophobicContact CB-CE3 3.97Å; F275-W302 HydrophobicContact CB-CZ3 4.48Å; F275-W302 HydrophobicContact CD2-CE3 4.21Å; F275-W302 HydrophobicContact CD2-CZ3 4.3Å; I293-W302 HydrophobicContact CD1-CD2 3.74Å; I293-W302 HydrophobicContact CD1-CE3 4.28Å; I293-W302 HydrophobicContact CD1-CG 3.95Å; I293-W302 HydrophobicContact CD1-CZ2 4.08Å; I293-W302 HydrophobicContact CG1-CD2 4.3Å; I293-W302 HydrophobicContact CG1-CG 4.09Å; V300-W302 HydrophobicContact CG2-CD2 4.31Å; V300-W302 HydrophobicContact CG2-CZ2 3.75Å; W302-L389 HydrophobicContact CB-CD1 3.98Å; W302-L389 WeakPolarHBondContact O-CD1 3.46Å; W302-W436 HydrophobicContact CH2-CE3 4.25Å; W302-W436 AromaticContact CH2-CZ3 3.86Å; W302-W436 HydrophobicContact CH2-CZ3 3.86Å |
| 303 | V | 95.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.3 | 167.1 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | T272 C273 F275 V380 P383 P390 L392 | T272-V303 HydrophobicContact CG2-CG2 3.53Å; C273-V303 PolarHBondContact O-N 3.28Å; F275-V303 PolarHBondContact N-O 2.63Å; V303-V380 HydrophobicContact CG1-CG1 4.13Å; V303-V380 HydrophobicContact CG2-CG1 4.44Å; V303-V380 WeakPolarHBondContact CG2-O 3.32Å; V303-P383 HydrophobicContact CG2-CG 4.31Å; V303-P390 HydrophobicContact CG2-CG 4.41Å; V303-L392 HydrophobicContact CG1-CD1 3.76Å; V303-L392 HydrophobicContact CG1-CG 4.01Å |
| 304 | L | 97.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119 | -176.8 | -177.4 | 59.3 | 0 | 0 | 0 | 109.5 | F275 I277 V290 V306 V314 L318 L389 P390 L391 L392 | F275-L304 HydrophobicContact CB-CD1 4.25Å; F275-L304 HydrophobicContact CD1-CD1 3.53Å; F275-L304 HydrophobicContact CE1-CD1 4.27Å; F275-L304 HydrophobicContact CG-CD1 4.24Å; F275-L304 CarbonylContact O-C 3.58Å; I277-L304 HydrophobicContact CD1-CD1 3.76Å; I277-L304 HydrophobicContact CG1-CD1 4.08Å; V290-L304 HydrophobicContact CG1-CD2 4.46Å; V290-L304 HydrophobicContact CG2-CD1 3.96Å; L304-V306 HydrophobicContact CD1-CG2 4.06Å; L304-V306 HydrophobicContact CD2-CG2 4.06Å; L304-V306 HydrophobicContact CG-CG2 3.66Å; L304-V314 HydrophobicContact CD2-CG1 4.37Å; L304-L318 HydrophobicContact CD2-CD1 3.84Å; L304-L389 HydrophobicContact CB-CD1 4.16Å; L304-L389 HydrophobicContact CB-CD2 4.27Å; L304-L389 HydrophobicContact CB-CG 4.2Å; L304-L389 HydrophobicContact CD2-CD2 4.15Å; L304-P390 PolarHBondContact N-O 3.48Å; L304-L391 HydrophobicContact CB-CB 4.5Å; L304-L391 HydrophobicContact CB-CG 4.49Å; L304-L391 HydrophobicContact CD2-CD1 3.87Å; L304-L391 HydrophobicContact CD2-CG 4.14Å; L304-L391 HydrophobicContact CG-CG 4.28Å; L304-L391 CarbonylContact O-C 3.58Å; L304-L391 VanDerWaalsContact O-CA 3.29Å; L304-L391 WeakPolarHBondContact O-CA 3.31Å; L304-L392 PolarHBondContact O-N 3.49Å |
| 305 | C | 97.9 | Very high | 91 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.4 | 175.5 | -60 | 0 | 0 | 0 | 0 | 107.9 | F275 I276 I277 L392 F394 | F275-C305 PolarHBondContact O-N 2.97Å; I276-C305 CarbonylContact C-O 3.58Å; I276-C305 WeakPolarHBondContact CA-O 3.4Å; I276-C305 HydrophobicContact CG1-CB 4.22Å; I277-C305 PolarHBondContact N-O 2.86Å; C305-L392 CarbonylContact C-O 3.56Å; C305-L392 WeakPolarHBondContact CA-O 3.47Å; C305-F394 HydrophobicContact CB-CD1 4.08Å; C305-F394 HydrophobicContact CB-CE1 4.22Å |
| 306 | V | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.4 | -174.4 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | I277 L304 E308 V310 V314 L391 L392 M393 F394 | I277-V306 HydrophobicContact CB-CG1 4.45Å; L304-V306 HydrophobicContact CD1-CG2 4.06Å; L304-V306 HydrophobicContact CD2-CG2 4.06Å; L304-V306 HydrophobicContact CG-CG2 3.66Å; V306-E308 PolarHBondContact O-N 3.36Å; V306-V310 HydrophobicContact CG1-CG2 3.99Å; V306-V314 HydrophobicContact CG1-CB 4.14Å; V306-V314 HydrophobicContact CG1-CG1 4.45Å; V306-V314 HydrophobicContact CG1-CG2 3.78Å; V306-V314 HydrophobicContact CG2-CG1 4.13Å; V306-L391 HydrophobicContact CG2-CD1 4.26Å; V306-L391 HydrophobicContact CG2-CD2 4.35Å; V306-L391 HydrophobicContact CG2-CG 4.13Å; V306-L392 PolarHBondContact N-O 3.04Å; V306-M393 CarbonylContact O-C 3.58Å; V306-M393 VanDerWaalsContact O-CA 3.24Å; V306-M393 WeakPolarHBondContact O-CA 3.27Å; V306-F394 WeakPolarHBondContact O-CD1 3.41Å; V306-F394 PolarHBondContact O-N 2.94Å |
| 307 | Q | 98.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 134.1 | 174.1 | -166.6 | 170 | -8 | 0 | 0 | 110.4 | I277 E279 S309 V310 S311 F394 | I277-Q307 PolarHBondContact O-N 3.36Å; E279-Q307 PolarHBondContact OE2-NE2 3.17Å; Q307-S309 PolarHBondContact O-N 3.02Å; Q307-S309 VanDerWaalsContact O-N 3.08Å; Q307-V310 HydrophobicContact CB-CG2 4.29Å; Q307-V310 WeakPolarHBondContact O-CG2 3.5Å; Q307-V310 PolarHBondContact O-N 3.16Å; Q307-S311 PolarHBondContact O-N 2.88Å; Q307-F394 CarbonylContact C-O 3.55Å; Q307-F394 WeakPolarHBondContact CA-O 3.3Å; Q307-F394 HydrophobicContact CB-CD2 4.3Å; Q307-F394 HydrophobicContact CB-CE1 4.3Å; Q307-F394 HydrophobicContact CB-CE2 3.64Å; Q307-F394 HydrophobicContact CB-CZ 3.65Å; Q307-F394 HydrophobicContact CG-CD2 4.31Å; Q307-F394 HydrophobicContact CG-CE2 3.85Å; Q307-F394 HydrophobicContact CG-CZ 4.38Å; Q307-F394 VanDerWaalsContact N-CE1 3.31Å |
| 308 | E | 97.6 | Very high | 93.4 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -52.5 | -37 | -172.5 | -173.3 | 172.2 | -159.9 | 0 | 0 | 112.5 | V306 V310 S311 F394 R395 | V306-E308 PolarHBondContact O-N 3.36Å; E308-V310 VanDerWaalsContact C-N 3.26Å; E308-V310 PolarHBondContact O-N 2.92Å; E308-S311 PolarHBondContact O-N 2.76Å; E308-F394 PolarHBondContact N-O 2.93Å; E308-R395 IonicContact OE1-NH2 2.84Å; E308-R395 VanDerWaalsContact OE2-CG 3.25Å; E308-R395 WeakPolarHBondContact OE2-CG 3.38Å; E308-R395 IonicContact OE2-CZ 3.97Å; E308-R395 IonicContact OE2-NE 3.34Å; E308-R395 PolarHBondContact OE2-NE 3.22Å; E308-R395 IonicContact OE2-NH2 2.89Å |
| 309 | S | 98.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -63.8 | -22.7 | -179.6 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | E279 Q307 | E279-S309 VanDerWaalsContact CB-OG 3.31Å; E279-S309 WeakPolarHBondContact CB-OG 3.4Å; E279-S309 PolarHBondContact OE2-OG 3.35Å; Q307-S309 PolarHBondContact O-N 3.02Å; Q307-S309 VanDerWaalsContact O-N 3.08Å |
| 310 | V | 98.1 | Very high | 96 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -118.8 | 5 | -179.2 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | E279 I283 V306 Q307 E308 D312 S313 V314 | E279-V310 HydrophobicContact CB-CG1 3.86Å; I283-V310 HydrophobicContact CD1-CB 4.19Å; I283-V310 HydrophobicContact CD1-CG1 4.47Å; I283-V310 HydrophobicContact CD1-CG2 4.11Å; V306-V310 HydrophobicContact CG1-CG2 3.99Å; Q307-V310 HydrophobicContact CB-CG2 4.29Å; Q307-V310 WeakPolarHBondContact O-CG2 3.5Å; Q307-V310 PolarHBondContact O-N 3.16Å; E308-V310 VanDerWaalsContact C-N 3.26Å; E308-V310 PolarHBondContact O-N 2.92Å; V310-D312 PolarHBondContact O-N 3.14Å; V310-S313 VanDerWaalsContact O-CB 3.32Å; V310-S313 WeakPolarHBondContact O-CB 3.41Å; V310-S313 PolarHBondContact O-N 3.12Å; V310-V314 WeakPolarHBondContact O-CG2 3.16Å; V310-V314 PolarHBondContact O-N 3.47Å |
| 311 | S | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.2 | -51.2 | -176.6 | -175 | 0 | 0 | 0 | 0 | 113.1 | Q307 E308 S313 V314 V315 M393 | Q307-S311 PolarHBondContact O-N 2.88Å; E308-S311 PolarHBondContact O-N 2.76Å; S311-S313 VanDerWaalsContact C-N 3.28Å; S311-S313 PolarHBondContact O-N 2.86Å; S311-V314 PolarHBondContact O-N 2.83Å; S311-V315 WeakPolarHBondContact O-CG2 3.19Å; S311-V315 PolarHBondContact O-N 2.83Å; S311-M393 PolarHBondContact OG-SD 3.39Å; S311-M393 VanDerWaalsContact OG-SD 3.32Å |
| 312 | D | 97.4 | Very high | 96.6 | Very high | 143 Ų | 143 | 43.2 Ų | 43.2 | 77% | 0.765 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.8 | -38.7 | -179.9 | -69.6 | -26.1 | 0 | 0 | 0 | 112.3 | V310 V315 A316 | V310-D312 PolarHBondContact O-N 3.14Å; D312-V315 PolarHBondContact O-N 3.47Å; D312-A316 WeakPolarHBondContact O-CB 3.48Å; D312-A316 PolarHBondContact O-N 2.82Å |
| 313 | S | 97.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 179 | -168.3 | 0 | 0 | 0 | 0 | 112 | V310 S311 R317 | V310-S313 VanDerWaalsContact O-CB 3.32Å; V310-S313 WeakPolarHBondContact O-CB 3.41Å; V310-S313 PolarHBondContact O-N 3.12Å; S311-S313 VanDerWaalsContact C-N 3.28Å; S311-S313 PolarHBondContact O-N 2.86Å; S313-R317 PolarHBondContact O-N 3.04Å; S313-R317 PolarHBondContact O-NH1 2.9Å; S313-R317 PolarHBondContact OG-NH1 2.63Å |
| 314 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -48.6 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | I277 I283 V287 L304 V306 V310 S311 A316 R317 L318 | I277-V314 HydrophobicContact CD1-CG1 4.3Å; I277-V314 HydrophobicContact CD1-CG2 4.3Å; I277-V314 HydrophobicContact CG2-CG2 4.31Å; I283-V314 HydrophobicContact CD1-CG2 4.2Å; I283-V314 HydrophobicContact CG2-CG2 3.69Å; V287-V314 HydrophobicContact CG2-CG1 4.08Å; L304-V314 HydrophobicContact CD2-CG1 4.37Å; V306-V314 HydrophobicContact CG1-CB 4.14Å; V306-V314 HydrophobicContact CG1-CG1 4.45Å; V306-V314 HydrophobicContact CG1-CG2 3.78Å; V306-V314 HydrophobicContact CG2-CG1 4.13Å; V310-V314 WeakPolarHBondContact O-CG2 3.16Å; V310-V314 PolarHBondContact O-N 3.47Å; S311-V314 PolarHBondContact O-N 2.83Å; V314-A316 VanDerWaalsContact C-N 3.32Å; V314-A316 PolarHBondContact O-N 3.46Å; V314-R317 PolarHBondContact O-N 3.07Å; V314-L318 HydrophobicContact CG1-CD1 3.82Å; V314-L318 HydrophobicContact CG1-CG 4.34Å; V314-L318 WeakPolarHBondContact O-CG 3.49Å; V314-L318 PolarHBondContact O-N 2.98Å |
| 315 | V | 97.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 53 Ų | 53 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | -179 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | S311 D312 L318 K319 L391 | S311-V315 WeakPolarHBondContact O-CG2 3.19Å; S311-V315 PolarHBondContact O-N 2.83Å; D312-V315 PolarHBondContact O-N 3.47Å; V315-L318 PolarHBondContact O-N 2.87Å; V315-K319 HydrophobicContact CG1-CD 4.37Å; V315-K319 WeakPolarHBondContact O-CG 3.38Å; V315-K319 PolarHBondContact O-N 2.71Å; V315-L391 HydrophobicContact CG2-CD1 3.84Å |
| 316 | A | 97.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D312 V314 K319 L320 | D312-A316 WeakPolarHBondContact O-CB 3.48Å; D312-A316 PolarHBondContact O-N 2.82Å; V314-A316 VanDerWaalsContact C-N 3.32Å; V314-A316 PolarHBondContact O-N 3.46Å; A316-K319 PolarHBondContact O-N 3.21Å; A316-L320 PolarHBondContact O-N 2.83Å |
| 317 | R | 97.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 28% | 0.275 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 177.4 | -74.3 | 171.2 | 171.5 | 86.4 | -10.4 | 112.7 | D284 V287 S313 V314 K319 L320 R321 | D284-R317 VanDerWaalsContact OD1-CD 3.27Å; D284-R317 WeakPolarHBondContact OD1-CD 3.29Å; D284-R317 IonicContact OD1-CZ 3.01Å; D284-R317 IonicContact OD1-NE 3.55Å; D284-R317 PolarHBondContact OD1-NE 2.96Å; D284-R317 IonicContact OD1-NH2 3.36Å; D284-R317 IonicContact OD2-CZ 2.84Å; D284-R317 IonicContact OD2-NE 3.32Å; D284-R317 PolarHBondContact OD2-NE 3.32Å; D284-R317 VanDerWaalsContact OD2-NE 3.14Å; D284-R317 IonicContact OD2-NH2 2.69Å; D284-R317 PolarHBondContact OD2-NH2 3.17Å; V287-R317 HydrophobicContact CB-CB 4.28Å; V287-R317 HydrophobicContact CG1-CB 3.91Å; V287-R317 HydrophobicContact CG2-CB 4.05Å; S313-R317 PolarHBondContact O-N 3.04Å; S313-R317 PolarHBondContact O-NH1 2.9Å; S313-R317 PolarHBondContact OG-NH1 2.63Å; V314-R317 PolarHBondContact O-N 3.07Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.06Å; R317-L320 PolarHBondContact O-N 3.35Å; R317-R321 PolarHBondContact O-N 2.85Å |
| 318 | L | 95.8 | Very high | 93 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 173.4 | -78.3 | 169.3 | 0 | 0 | 0 | 110.5 | V287 V290 I291 L304 V314 V315 L320 R321 M322 L391 | V287-L318 HydrophobicContact CG1-CD2 3.88Å; V287-L318 HydrophobicContact CG1-CG 4.05Å; V287-L318 HydrophobicContact CG2-CG 4.4Å; V290-L318 HydrophobicContact CB-CD2 4.37Å; V290-L318 HydrophobicContact CG1-CD2 3.81Å; I291-L318 HydrophobicContact CD1-CD2 4.05Å; I291-L318 HydrophobicContact CG1-CD2 4.44Å; L304-L318 HydrophobicContact CD2-CD1 3.84Å; V314-L318 HydrophobicContact CG1-CD1 3.82Å; V314-L318 HydrophobicContact CG1-CG 4.34Å; V314-L318 WeakPolarHBondContact O-CG 3.49Å; V314-L318 PolarHBondContact O-N 2.98Å; V315-L318 PolarHBondContact O-N 2.87Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 2.84Å; L318-R321 PolarHBondContact O-N 2.94Å; L318-M322 HydrophobicContact CB-SD 4.24Å; L318-M322 VanDerWaalsContact O-CB 3.22Å; L318-M322 WeakPolarHBondContact O-CB 3.48Å; L318-M322 WeakPolarHBondContact O-CG 3.15Å; L318-M322 PolarHBondContact O-N 3.06Å; L318-L391 HydrophobicContact CD1-CD1 4.46Å |
| 319 | K | 95.2 | Very high | 92.2 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55 | -45.6 | 175.9 | -76 | 173.5 | -179.9 | 177.4 | 0 | 112.2 | V315 A316 R317 A323 V354 | V315-K319 HydrophobicContact CG1-CD 4.37Å; V315-K319 WeakPolarHBondContact O-CG 3.38Å; V315-K319 PolarHBondContact O-N 2.71Å; A316-K319 PolarHBondContact O-N 3.21Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.06Å; K319-A323 PolarHBondContact O-N 3.36Å; K319-A323 VanDerWaalsContact O-N 3.1Å; K319-V354 HydrophobicContact CD-CG1 4.31Å; K319-V354 HydrophobicContact CG-CG1 3.49Å; K319-V354 VanDerWaalsContact CG-CG1 3.49Å |
| 320 | L | 94.6 | Very high | 91.4 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.5 | -49.8 | 179.6 | -170.6 | 157.8 | 0 | 0 | 0 | 111.6 | A316 R317 L318 A323 | A316-L320 PolarHBondContact O-N 2.83Å; R317-L320 PolarHBondContact O-N 3.35Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 2.84Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.15Å |
| 321 | R | 92.9 | Very high | 90.4 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.8 | -33.5 | -178.9 | -61.7 | -51.8 | -174.2 | 108.5 | 5.2 | 112.8 | V287 D288 I291 R317 L318 A323 | V287-R321 HydrophobicContact CG1-CG 4.34Å; D288-R321 IonicContact OD1-CZ 2.75Å; D288-R321 IonicContact OD1-NE 3.04Å; D288-R321 PolarHBondContact OD1-NE 3.33Å; D288-R321 IonicContact OD1-NH1 3.8Å; D288-R321 PolarHBondContact OD1-NH1 3.17Å; D288-R321 IonicContact OD1-NH2 3.53Å; D288-R321 PolarHBondContact OD1-NH2 3.46Å; D288-R321 IonicContact OD2-CZ 2.98Å; D288-R321 VanDerWaalsContact OD2-CZ 3.25Å; D288-R321 IonicContact OD2-NH1 3.34Å; D288-R321 PolarHBondContact OD2-NH1 3.01Å; D288-R321 IonicContact OD2-NH2 3.14Å; D288-R321 PolarHBondContact OD2-NH2 3.27Å; I291-R321 HydrophobicContact CD1-CB 4.01Å; I291-R321 HydrophobicContact CG1-CB 3.8Å; R317-R321 PolarHBondContact O-N 2.85Å; L318-R321 PolarHBondContact O-N 2.94Å; R321-A323 VanDerWaalsContact C-N 3.31Å; R321-A323 PolarHBondContact O-N 3.14Å |
| 322 | M | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.5 | -27.7 | 175.4 | -71.5 | 166.6 | 67.8 | 0 | 0 | 112.8 | I291 F295 L318 N324 I325 V354 P356 P367 V369 | I291-M322 HydrophobicContact CD1-CG 3.63Å; F295-M322 HydrophobicContact CE2-CG 4.21Å; F295-M322 HydrophobicContact CE2-SD 4.39Å; L318-M322 HydrophobicContact CB-SD 4.24Å; L318-M322 VanDerWaalsContact O-CB 3.22Å; L318-M322 WeakPolarHBondContact O-CB 3.48Å; L318-M322 WeakPolarHBondContact O-CG 3.15Å; L318-M322 PolarHBondContact O-N 3.06Å; M322-N324 PolarHBondContact O-N 3.38Å; M322-N324 VanDerWaalsContact O-N 3.1Å; M322-I325 PolarHBondContact O-N 2.95Å; M322-V354 HydrophobicContact CE-CG1 4.3Å; M322-V354 HydrophobicContact SD-CG1 4.42Å; M322-P356 WeakPolarHBondContact O-CB 3.25Å; M322-P367 HydrophobicContact CE-CB 3.83Å; M322-P367 WeakPolarHBondContact CE-O 3.44Å; M322-P367 HydrophobicContact CG-CB 4.39Å; M322-V369 HydrophobicContact CE-CG2 3.77Å; M322-V369 HydrophobicContact SD-CG2 3.59Å; M322-V369 VanDerWaalsContact SD-CG2 3.59Å |
| 323 | A | 90 | Very high | 88.8 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K319 L320 R321 I325 | K319-A323 PolarHBondContact O-N 3.36Å; K319-A323 VanDerWaalsContact O-N 3.1Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.15Å; R321-A323 VanDerWaalsContact C-N 3.31Å; R321-A323 PolarHBondContact O-N 3.14Å; A323-I325 VanDerWaalsContact C-N 3.32Å |
| 324 | N | 83.9 | Confident | 88.2 | Confident | 137 Ų | 137 | 62.6 Ų | 62.6 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.4 | 178.3 | -65.8 | -26.8 | 0 | 0 | 0 | 113.7 | M322 | M322-N324 PolarHBondContact O-N 3.38Å; M322-N324 VanDerWaalsContact O-N 3.1Å |
| 325 | I | 86.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | trans | -113 | 92.3 | -176.8 | -53.1 | 174.4 | 0 | 0 | 0 | 109 | I291 M322 A323 S327 V328 P356 P367 | I291-I325 HydrophobicContact CG2-CD1 3.48Å; I291-I325 VanDerWaalsContact CG2-CD1 3.48Å; M322-I325 PolarHBondContact O-N 2.95Å; A323-I325 VanDerWaalsContact C-N 3.32Å; I325-S327 PolarHBondContact O-N 3.44Å; I325-V328 HydrophobicContact CG2-CG2 4.23Å; I325-P356 WeakPolarHBondContact O-CG 3.35Å; I325-P367 HydrophobicContact CB-CG 3.8Å; I325-P367 HydrophobicContact CG2-CG 3.42Å; I325-P367 VanDerWaalsContact CG2-CG 3.42Å; I325-P367 VanDerWaalsContact O-CD 3.32Å; I325-P367 WeakPolarHBondContact O-CD 3.02Å; I325-P367 WeakPolarHBondContact O-CG 3.28Å | ||
| 326 | K | 77.3 | Confident | 87.3 | Confident | 173 Ų | 173 | 64.6 Ų | 64.6 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | trans | -66.6 | -38.2 | -176.1 | -65.7 | -176.9 | -179.7 | 177.8 | 0 | 113.6 | C357 | K326-C357 PolarHBondContact O-SG 3.41Å; K326-C357 VanDerWaalsContact O-SG 3.35Å | ||
| 327 | S | 82.3 | Confident | 87.1 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | trans | -164.9 | 149.4 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | I325 R364 Y365 | I325-S327 PolarHBondContact O-N 3.44Å; S327-R364 WeakPolarHBondContact OG-CD 3.41Å; S327-R364 PolarHBondContact OG-NE 3.33Å; S327-Y365 WeakPolarHBondContact CA-O 3.4Å | ||
| 328 | V | 85.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.8 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | F295 I325 R364 Y365 P367 P387 | F295-V328 HydrophobicContact CB-CG2 4.06Å; I325-V328 HydrophobicContact CG2-CG2 4.23Å; V328-R364 WeakPolarHBondContact O-CA 3.47Å; V328-Y365 PolarHBondContact N-O 2.91Å; V328-Y365 PolarHBondContact O-N 3.44Å; V328-P367 HydrophobicContact CG2-CG 4.09Å; V328-P387 HydrophobicContact CB-CB 3.77Å; V328-P387 HydrophobicContact CB-CG 3.99Å; V328-P387 HydrophobicContact CG1-CB 4.09Å; V328-P387 HydrophobicContact CG2-CB 3.89Å |
| 329 | P | 81.7 | Confident | 86.7 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 143 | 177.3 | 27.6 | -34 | 0 | 0 | 0 | 110.9 | K298 A363 | K298-P329 PolarHBondContact NZ-O 3.43Å; P329-A363 WeakPolarHBondContact CA-O 3.38Å |
| 330 | L | 81.3 | Confident | 86.6 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | trans | -95.7 | 157.5 | 167.1 | -71.3 | 172.8 | 0 | 0 | 0 | 110 | D335 R336 A363 Y365 | L330-D335 HydrophobicContact CD2-CB 4.48Å; L330-R336 HydrophobicContact CD1-CB 3.57Å; L330-R336 HydrophobicContact CD1-CG 4.07Å; L330-A363 PolarHBondContact N-O 2.99Å; L330-Y365 HydrophobicContact CD1-CD2 4.02Å; L330-Y365 HydrophobicContact CD1-CG 4.27Å | ||
| 331 | S | 75.5 | Confident | 86.6 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -79.8 | -28.6 | 179.1 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | D335 | S331-D335 WeakPolarHBondContact CB-OD2 3.39Š|
| 332 | S | 79.6 | Confident | 86.7 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -153.9 | 163.9 | 177.3 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | A334 D335 R336 | S332-A334 PolarHBondContact O-N 3.22Å; S332-A334 PolarHBondContact OG-N 2.92Å; S332-D335 PolarHBondContact N-OD2 2.97Å; S332-D335 WeakPolarHBondContact O-CB 3.17Å; S332-D335 PolarHBondContact O-N 2.97Å; S332-D335 PolarHBondContact OG-N 2.84Å; S332-D335 VanDerWaalsContact OG-N 3.14Å; S332-D335 PolarHBondContact OG-OD1 2.81Å; S332-D335 PolarHBondContact OG-OD2 2.89Å; S332-R336 PolarHBondContact O-N 3.47Å | ||
| 333 | D | 82.8 | Confident | 86.8 | Confident | 112 Ų | 112 | 58 Ų | 58 | 60% | 0.599 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.3 | -25.9 | 170.3 | -71.6 | -31 | 0 | 0 | 0 | 112.3 | R336 V337 | D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.01Å; D333-V337 PolarHBondContact O-N 3.45Å |
| 334 | A | 85.8 | Confident | 87.1 | Confident | 64 Ų | 64 | 61 Ų | 61 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S332 R336 V337 L338 | S332-A334 PolarHBondContact O-N 3.22Å; S332-A334 PolarHBondContact OG-N 2.92Å; A334-R336 PolarHBondContact O-N 2.94Å; A334-V337 WeakPolarHBondContact O-CB 3.4Å; A334-V337 PolarHBondContact O-N 3.46Å; A334-L338 PolarHBondContact O-N 2.91Å |
| 335 | D | 86.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | 175.4 | -59.6 | -33.8 | 0 | 0 | 0 | 111.3 | L330 S331 S332 V337 L338 V339 P385 | L330-D335 HydrophobicContact CD2-CB 4.48Å; S331-D335 WeakPolarHBondContact CB-OD2 3.39Å; S332-D335 PolarHBondContact N-OD2 2.97Å; S332-D335 WeakPolarHBondContact O-CB 3.17Å; S332-D335 PolarHBondContact O-N 2.97Å; S332-D335 PolarHBondContact OG-N 2.84Å; S332-D335 VanDerWaalsContact OG-N 3.14Å; S332-D335 PolarHBondContact OG-OD1 2.81Å; S332-D335 PolarHBondContact OG-OD2 2.89Å; D335-V337 VanDerWaalsContact C-N 3.34Å; D335-V337 PolarHBondContact O-N 3.11Å; D335-L338 WeakPolarHBondContact O-CB 3.37Å; D335-L338 PolarHBondContact O-N 2.63Å; D335-V339 WeakPolarHBondContact O-CG2 3.41Å; D335-V339 PolarHBondContact O-N 3.21Å; D335-P385 HydrophobicContact CB-CG 4.08Å; D335-P385 WeakPolarHBondContact OD1-CG 3.42Å |
| 336 | R | 89.7 | Confident | 88.1 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 15% | 0.151 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.4 | -176 | 178.7 | 174.9 | 131.6 | 1.5 | 111.9 | L330 S332 D333 A334 L338 V339 D340 V359 S360 G362 Y365 | L330-R336 HydrophobicContact CD1-CB 3.57Å; L330-R336 HydrophobicContact CD1-CG 4.07Å; S332-R336 PolarHBondContact O-N 3.47Å; D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.01Å; A334-R336 PolarHBondContact O-N 2.94Å; R336-L338 VanDerWaalsContact C-N 3.25Å; R336-L338 PolarHBondContact O-N 2.96Å; R336-V339 PolarHBondContact O-N 3.32Å; R336-D340 IonicContact NE-OD2 2.71Å; R336-D340 WeakPolarHBondContact O-CB 3.45Å; R336-D340 PolarHBondContact O-N 3.01Å; R336-V359 VanDerWaalsContact NH2-CG1 3.28Å; R336-S360 VanDerWaalsContact CZ-O 3.29Å; R336-S360 PolarHBondContact NH1-O 2.96Å; R336-S360 PolarHBondContact NH2-O 3.17Å; R336-G362 VanDerWaalsContact NH1-N 3.11Å; R336-G362 PolarHBondContact NH1-O 3.43Å; R336-Y365 HydrophobicContact CG-CD2 4.18Å; R336-Y365 HydrophobicContact CG-CE2 4.26Å |
| 337 | V | 91.5 | Very high | 88.9 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 61% | 0.606 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.2 | -40 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | D333 A334 D335 A341 | D333-V337 PolarHBondContact O-N 3.45Å; A334-V337 WeakPolarHBondContact O-CB 3.4Å; A334-V337 PolarHBondContact O-N 3.46Å; D335-V337 VanDerWaalsContact C-N 3.34Å; D335-V337 PolarHBondContact O-N 3.11Å; V337-A341 WeakPolarHBondContact O-CB 3.32Å; V337-A341 PolarHBondContact O-N 2.8Å |
| 338 | L | 92.4 | Very high | 89.6 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.2 | -62.9 | 175.3 | 0 | 0 | 0 | 112.2 | A334 D335 R336 A342 P384 P385 | A334-L338 PolarHBondContact O-N 2.91Å; D335-L338 WeakPolarHBondContact O-CB 3.37Å; D335-L338 PolarHBondContact O-N 2.63Å; R336-L338 VanDerWaalsContact C-N 3.25Å; R336-L338 PolarHBondContact O-N 2.96Å; L338-A342 WeakPolarHBondContact O-CB 3.44Å; L338-A342 PolarHBondContact O-N 3.46Å; L338-P384 HydrophobicContact CB-CB 3.81Å; L338-P385 HydrophobicContact CD1-CG 4.38Å |
| 339 | V | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | D335 R336 A341 A342 V343 Y365 P384 L388 | D335-V339 WeakPolarHBondContact O-CG2 3.41Å; D335-V339 PolarHBondContact O-N 3.21Å; R336-V339 PolarHBondContact O-N 3.32Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 2.69Å; V339-A342 PolarHBondContact O-N 2.83Å; V339-V343 HydrophobicContact CG1-CG2 4.48Å; V339-V343 WeakPolarHBondContact O-CG2 3.28Å; V339-V343 PolarHBondContact O-N 3.25Å; V339-Y365 HydrophobicContact CB-CE2 4.47Å; V339-Y365 HydrophobicContact CG1-CD1 3.93Å; V339-Y365 HydrophobicContact CG1-CD2 4.44Å; V339-Y365 HydrophobicContact CG1-CE1 3.48Å; V339-Y365 VanDerWaalsContact CG1-CE1 3.48Å; V339-Y365 HydrophobicContact CG1-CE2 4.02Å; V339-Y365 HydrophobicContact CG1-CG 4.4Å; V339-P384 HydrophobicContact CG2-CB 4.18Å; V339-P384 HydrophobicContact CG2-CG 4.1Å; V339-L388 HydrophobicContact CG1-CB 4.47Å; V339-L388 HydrophobicContact CG1-CD1 4.11Å |
| 340 | D | 93.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 178.2 | -77.7 | -30.4 | 0 | 0 | 0 | 111.5 | R336 V343 Q344 Y365 | R336-D340 IonicContact NE-OD2 2.71Å; R336-D340 WeakPolarHBondContact O-CB 3.45Å; R336-D340 PolarHBondContact O-N 3.01Å; D340-V343 PolarHBondContact O-N 2.9Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 3.32Å; D340-Y365 WeakPolarHBondContact OD1-CE2 3.49Å; D340-Y365 VanDerWaalsContact OD1-CZ 3.31Å; D340-Y365 PolarHBondContact OD1-OH 3.1Å |
| 341 | A | 94.5 | Very high | 91.3 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V337 V339 Q344 E345 | V337-A341 WeakPolarHBondContact O-CB 3.32Å; V337-A341 PolarHBondContact O-N 2.8Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 2.69Å; A341-Q344 PolarHBondContact O-N 3.1Å; A341-E345 WeakPolarHBondContact O-CB 3.21Å; A341-E345 PolarHBondContact O-N 3.16Å |
| 342 | A | 95.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L338 V339 E345 A346 Y379 P384 L388 | L338-A342 WeakPolarHBondContact O-CB 3.44Å; L338-A342 PolarHBondContact O-N 3.46Å; V339-A342 PolarHBondContact O-N 2.83Å; A342-E345 PolarHBondContact O-N 2.9Å; A342-A346 WeakPolarHBondContact O-CB 3.39Å; A342-A346 PolarHBondContact O-N 3.23Å; A342-Y379 HydrophobicContact CB-CG 4.39Å; A342-P384 HydrophobicContact CB-CG 3.84Å; A342-L388 HydrophobicContact CB-CD1 3.86Å |
| 343 | V | 95.5 | Very high | 93 | Very high | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | V339 D340 A346 L347 L353 T368 L388 | V339-V343 HydrophobicContact CG1-CG2 4.48Å; V339-V343 WeakPolarHBondContact O-CG2 3.28Å; V339-V343 PolarHBondContact O-N 3.25Å; D340-V343 PolarHBondContact O-N 2.9Å; V343-A346 PolarHBondContact O-N 2.9Å; V343-L347 HydrophobicContact CG1-CD1 4.09Å; V343-L347 WeakPolarHBondContact O-CG 3.37Å; V343-L347 PolarHBondContact O-N 3.28Å; V343-L353 HydrophobicContact CG1-CD1 4.02Å; V343-L353 HydrophobicContact CG1-CD2 4.02Å; V343-T368 HydrophobicContact CG2-CG2 3.92Å; V343-L388 HydrophobicContact CG2-CD1 4.02Å |
| 344 | Q | 95.4 | Very high | 93.6 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 177.4 | -74.5 | -179.6 | -11.5 | 0 | 0 | 112 | D340 A341 A346 L347 Q348 | D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 3.32Å; A341-Q344 PolarHBondContact O-N 3.1Å; Q344-A346 PolarHBondContact O-N 2.85Å; Q344-L347 PolarHBondContact O-N 2.8Å; Q344-Q348 VanDerWaalsContact O-CG 3.3Å; Q344-Q348 WeakPolarHBondContact O-CG 3.48Å; Q344-Q348 PolarHBondContact O-N 3.16Å |
| 345 | E | 95.3 | Very high | 93.9 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.9 | -171.5 | -170.6 | 163.6 | 0 | 0 | 111.3 | A341 A342 L347 Q348 Q349 P378 Y379 | A341-E345 WeakPolarHBondContact O-CB 3.21Å; A341-E345 PolarHBondContact O-N 3.16Å; A342-E345 PolarHBondContact O-N 2.9Å; E345-L347 PolarHBondContact O-N 3.33Å; E345-Q348 WeakPolarHBondContact O-CB 3.31Å; E345-Q348 PolarHBondContact O-N 3.22Å; E345-Q349 WeakPolarHBondContact O-CG 3.41Å; E345-Q349 PolarHBondContact O-N 3.43Å; E345-Q349 PolarHBondContact OE1-NE2 2.89Å; E345-P378 WeakPolarHBondContact OE1-CD 3.37Å; E345-Y379 HydrophobicContact CB-CE1 4.46Å; E345-Y379 HydrophobicContact CG-CE1 4.29Å |
| 346 | A | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A342 V343 Q344 Q348 Q349 G350 A351 L370 Y379 | A342-A346 WeakPolarHBondContact O-CB 3.39Å; A342-A346 PolarHBondContact O-N 3.23Å; V343-A346 PolarHBondContact O-N 2.9Å; Q344-A346 PolarHBondContact O-N 2.85Å; A346-Q348 VanDerWaalsContact C-N 3.34Å; A346-Q348 PolarHBondContact O-N 3.16Å; A346-Q349 CarbonylContact O-C 3.58Å; A346-Q349 PolarHBondContact O-N 3.38Å; A346-Q349 VanDerWaalsContact O-N 3.15Å; A346-G350 PolarHBondContact O-N 3.11Å; A346-A351 HydrophobicContact CB-CB 3.87Å; A346-A351 WeakPolarHBondContact O-CB 3.47Å; A346-A351 PolarHBondContact O-N 3.44Å; A346-L370 HydrophobicContact CB-CD1 3.65Å; A346-L370 HydrophobicContact CB-CD2 3.9Å; A346-L370 HydrophobicContact CB-CG 4.25Å; A346-Y379 HydrophobicContact CB-CE1 3.82Å; A346-Y379 HydrophobicContact CB-CE2 3.91Å |
| 347 | L | 95.6 | Very high | 93.8 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 44% | 0.44 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.8 | -72.1 | 172.9 | 0 | 0 | 0 | 112.1 | V343 Q344 E345 Q349 G350 L353 | V343-L347 HydrophobicContact CG1-CD1 4.09Å; V343-L347 WeakPolarHBondContact O-CG 3.37Å; V343-L347 PolarHBondContact O-N 3.28Å; Q344-L347 PolarHBondContact O-N 2.8Å; E345-L347 PolarHBondContact O-N 3.33Å; L347-Q349 PolarHBondContact O-N 3.46Å; L347-G350 PolarHBondContact O-N 3.27Å; L347-L353 HydrophobicContact CD1-CD2 4.43Å; L347-L353 HydrophobicContact CD2-CB 3.83Å |
| 348 | Q | 95.5 | Very high | 93.3 | Very high | 162 Ų | 162 | 55.9 Ų | 55.9 | 76% | 0.757 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.9 | -31.4 | 175.3 | -71.9 | 172.1 | 14.6 | 0 | 0 | 112.4 | Q344 E345 A346 G350 | Q344-Q348 VanDerWaalsContact O-CG 3.3Å; Q344-Q348 WeakPolarHBondContact O-CG 3.48Å; Q344-Q348 PolarHBondContact O-N 3.16Å; E345-Q348 WeakPolarHBondContact O-CB 3.31Å; E345-Q348 PolarHBondContact O-N 3.22Å; A346-Q348 VanDerWaalsContact C-N 3.34Å; A346-Q348 PolarHBondContact O-N 3.16Å; Q348-G350 PolarHBondContact O-N 3.29Å |
| 349 | Q | 94.8 | Very high | 92.8 | Very high | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.1 | 175.2 | -69.5 | 170.6 | -0.8 | 0 | 0 | 113.3 | E345 A346 L347 S377 Y379 | E345-Q349 WeakPolarHBondContact O-CG 3.41Å; E345-Q349 PolarHBondContact O-N 3.43Å; E345-Q349 PolarHBondContact OE1-NE2 2.89Å; A346-Q349 CarbonylContact O-C 3.58Å; A346-Q349 PolarHBondContact O-N 3.38Å; A346-Q349 VanDerWaalsContact O-N 3.15Å; L347-Q349 PolarHBondContact O-N 3.46Å; Q349-S377 PolarHBondContact OE1-OG 3.34Å; Q349-Y379 PolarHBondContact OE1-OH 2.92Å |
| 350 | G | 94 | Very high | 92 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 11.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A346 L347 Q348 | A346-G350 PolarHBondContact O-N 3.11Å; L347-G350 PolarHBondContact O-N 3.27Å; Q348-G350 PolarHBondContact O-N 3.29Å |
| 351 | A | 95 | Very high | 91 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 146 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A346 C371 | A346-A351 HydrophobicContact CB-CB 3.87Å; A346-A351 WeakPolarHBondContact O-CB 3.47Å; A346-A351 PolarHBondContact O-N 3.44Å; A351-C371 CarbonylContact C-O 3.52Å; A351-C371 VanDerWaalsContact CA-O 3.3Å; A351-C371 WeakPolarHBondContact CA-O 3.23Å; A351-C371 WeakPolarHBondContact CB-O 3.44Å |
| 352 | T | 95.8 | Very high | 90.1 | Very high | 90 Ų | 90 | 60 Ų | 60 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | C371 | T352-C371 PolarHBondContact N-O 3.35Å; T352-C371 PolarHBondContact O-N 3.41Å |
| 353 | L | 96.1 | Very high | 89.2 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 29% | 0.293 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.9 | 177.6 | 178.4 | 64.3 | 0 | 0 | 0 | 111.3 | V343 L347 Q355 T368 L370 | V343-L353 HydrophobicContact CG1-CD1 4.02Å; V343-L353 HydrophobicContact CG1-CD2 4.02Å; L347-L353 HydrophobicContact CD1-CD2 4.43Å; L347-L353 HydrophobicContact CD2-CB 3.83Å; L353-Q355 HydrophobicContact CD1-CG 3.87Å; L353-Q355 HydrophobicContact CD2-CG 4.5Å; L353-Q355 HydrophobicContact CG-CG 4.12Å; L353-T368 HydrophobicContact CD1-CG2 3.55Å; L353-L370 HydrophobicContact CD1-CD2 3.76Å |
| 354 | V | 94.6 | Very high | 88.8 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 7% | 0.073 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.2 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | K319 M322 V369 | K319-V354 HydrophobicContact CD-CG1 4.31Å; K319-V354 HydrophobicContact CG-CG1 3.49Å; K319-V354 VanDerWaalsContact CG-CG1 3.49Å; M322-V354 HydrophobicContact CE-CG1 4.3Å; M322-V354 HydrophobicContact SD-CG1 4.42Å; V354-V369 HydrophobicContact CB-CB 4.18Å; V354-V369 PolarHBondContact N-O 3.49Å; V354-V369 PolarHBondContact O-N 3.12Å |
| 355 | Q | 93.7 | Very high | 88.5 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | trans | -139.4 | 146.9 | 176.4 | -73 | 178.6 | -29.1 | 0 | 0 | 109.8 | L353 C357 P366 T368 | L353-Q355 HydrophobicContact CD1-CG 3.87Å; L353-Q355 HydrophobicContact CD2-CG 4.5Å; L353-Q355 HydrophobicContact CG-CG 4.12Å; Q355-C357 VanDerWaalsContact C-N 3.34Å; Q355-P366 HydrophobicContact CG-CG 4.44Å; Q355-T368 HydrophobicContact CG-CG2 4.25Å; Q355-T368 PolarHBondContact NE2-OG1 2.82Å | ||
| 356 | P | 89.5 | Confident | 88.3 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -75.5 | -24.2 | 177.9 | 30.3 | -33.9 | 0 | 0 | 0 | 112.9 | M322 I325 P366 P367 | M322-P356 WeakPolarHBondContact O-CB 3.25Å; I325-P356 WeakPolarHBondContact O-CG 3.35Å; P356-P366 HydrophobicContact CG-CB 4.49Å; P356-P367 VanDerWaalsContact CD-O 3.22Å; P356-P367 WeakPolarHBondContact CD-O 3.29Å; P356-P367 HydrophobicContact CG-CG 4.45Å |
| 357 | C | 84.6 | Confident | 88.3 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -155.5 | 167.2 | 180 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | K326 Q355 | K326-C357 PolarHBondContact O-SG 3.41Å; K326-C357 VanDerWaalsContact O-SG 3.35Å; Q355-C357 VanDerWaalsContact C-N 3.34Å |
| 358 | G | 80.9 | Confident | 88.2 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | trans | -68.1 | 156.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S360 | G358-S360 PolarHBondContact O-N 3.06Š| ||
| 359 | V | 81.8 | Confident | 88.3 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | trans | -71.8 | 114.8 | -179.3 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | R336 Y365 P366 | R336-V359 VanDerWaalsContact NH2-CG1 3.28Å; V359-Y365 HydrophobicContact CG1-CD2 4.06Å; V359-Y365 HydrophobicContact CG1-CE2 3.68Å; V359-Y365 HydrophobicContact CG2-CE1 4.42Å; V359-Y365 HydrophobicContact CG2-CE2 4.37Å; V359-P366 HydrophobicContact CG2-CG 3.94Å | ||
| 360 | S | 75.8 | Confident | 88.4 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | trans | -84.8 | 153.1 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | R336 G358 | R336-S360 VanDerWaalsContact CZ-O 3.29Å; R336-S360 PolarHBondContact NH1-O 2.96Å; R336-S360 PolarHBondContact NH2-O 3.17Å; G358-S360 PolarHBondContact O-N 3.06Å | ||
| 361 | P | 73.1 | Confident | 88.4 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 80% | 0.799 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -61.3 | 152.9 | 170.8 | -20.1 | 32.2 | 0 | 0 | 0 | 112.8 | ||
| 362 | G | 75.3 | Confident | 88 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 105.1 | -170.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R336 R364 | R336-G362 VanDerWaalsContact NH1-N 3.11Å; R336-G362 PolarHBondContact NH1-O 3.43Å; G362-R364 PolarHBondContact O-N 2.85Å |
| 363 | A | 76.1 | Confident | 87.7 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.3 | 19.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P329 L330 | P329-A363 WeakPolarHBondContact CA-O 3.38Å; L330-A363 PolarHBondContact N-O 2.99Å |
| 364 | R | 85.4 | Confident | 87.4 | Confident | 134 Ų | 134 | 39 Ų | 39 | 51% | 0.506 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.8 | 178.7 | -50.1 | -175.6 | 86.7 | 101.8 | 0.1 | 109.8 | S327 V328 G362 | S327-R364 WeakPolarHBondContact OG-CD 3.41Å; S327-R364 PolarHBondContact OG-NE 3.33Å; V328-R364 WeakPolarHBondContact O-CA 3.47Å; G362-R364 PolarHBondContact O-N 2.85Å |
| 365 | Y | 89.7 | Confident | 87.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.5 | -176 | -152.9 | -86.4 | 0 | 0 | 0 | 110.3 | S327 V328 L330 R336 V339 D340 V359 T368 P387 | S327-Y365 WeakPolarHBondContact CA-O 3.4Å; V328-Y365 PolarHBondContact N-O 2.91Å; V328-Y365 PolarHBondContact O-N 3.44Å; L330-Y365 HydrophobicContact CD1-CD2 4.02Å; L330-Y365 HydrophobicContact CD1-CG 4.27Å; R336-Y365 HydrophobicContact CG-CD2 4.18Å; R336-Y365 HydrophobicContact CG-CE2 4.26Å; V339-Y365 HydrophobicContact CB-CE2 4.47Å; V339-Y365 HydrophobicContact CG1-CD1 3.93Å; V339-Y365 HydrophobicContact CG1-CD2 4.44Å; V339-Y365 HydrophobicContact CG1-CE1 3.48Å; V339-Y365 VanDerWaalsContact CG1-CE1 3.48Å; V339-Y365 HydrophobicContact CG1-CE2 4.02Å; V339-Y365 HydrophobicContact CG1-CG 4.4Å; D340-Y365 WeakPolarHBondContact OD1-CE2 3.49Å; D340-Y365 VanDerWaalsContact OD1-CZ 3.31Å; D340-Y365 PolarHBondContact OD1-OH 3.1Å; V359-Y365 HydrophobicContact CG1-CD2 4.06Å; V359-Y365 HydrophobicContact CG1-CE2 3.68Å; V359-Y365 HydrophobicContact CG2-CE1 4.42Å; V359-Y365 HydrophobicContact CG2-CE2 4.37Å; Y365-T368 WeakPolarHBondContact CE1-OG1 3.32Å; Y365-P387 HydrophobicContact CD1-CG 4.03Å; Y365-P387 HydrophobicContact CG-CG 4.34Å |
| 366 | P | 92.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | trans | -66.8 | 144.2 | 177.3 | 26.7 | -34.7 | 0 | 0 | 0 | 111.5 | Q355 P356 V359 T368 | Q355-P366 HydrophobicContact CG-CG 4.44Å; P356-P366 HydrophobicContact CG-CB 4.49Å; V359-P366 HydrophobicContact CG2-CG 3.94Å; P366-T368 PolarHBondContact O-N 2.87Å; P366-T368 PolarHBondContact O-OG1 3.18Å | ||
| 367 | P | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -49.5 | 126.2 | 166.3 | -25.5 | 33.6 | 0 | 0 | 0 | 110.8 | F295 M322 I325 V328 P356 | F295-P367 HydrophobicContact CD1-CB 3.94Å; F295-P367 HydrophobicContact CD2-CB 4.08Å; F295-P367 HydrophobicContact CE1-CB 3.87Å; F295-P367 HydrophobicContact CE2-CB 3.99Å; F295-P367 HydrophobicContact CG-CB 4.05Å; F295-P367 HydrophobicContact CG-CG 4.49Å; F295-P367 HydrophobicContact CZ-CB 3.89Å; M322-P367 HydrophobicContact CE-CB 3.83Å; M322-P367 WeakPolarHBondContact CE-O 3.44Å; M322-P367 HydrophobicContact CG-CB 4.39Å; I325-P367 HydrophobicContact CB-CG 3.8Å; I325-P367 HydrophobicContact CG2-CG 3.42Å; I325-P367 VanDerWaalsContact CG2-CG 3.42Å; I325-P367 VanDerWaalsContact O-CD 3.32Å; I325-P367 WeakPolarHBondContact O-CD 3.02Å; I325-P367 WeakPolarHBondContact O-CG 3.28Å; V328-P367 HydrophobicContact CG2-CG 4.09Å; P356-P367 VanDerWaalsContact CD-O 3.22Å; P356-P367 WeakPolarHBondContact CD-O 3.29Å; P356-P367 HydrophobicContact CG-CG 4.45Å | ||
| 368 | T | 94.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.5 | -169.6 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | V343 L353 Q355 Y365 P366 L370 P387 L388 L389 | V343-T368 HydrophobicContact CG2-CG2 3.92Å; L353-T368 HydrophobicContact CD1-CG2 3.55Å; Q355-T368 HydrophobicContact CG-CG2 4.25Å; Q355-T368 PolarHBondContact NE2-OG1 2.82Å; Y365-T368 WeakPolarHBondContact CE1-OG1 3.32Å; P366-T368 PolarHBondContact O-N 2.87Å; P366-T368 PolarHBondContact O-OG1 3.18Å; T368-L370 HydrophobicContact CG2-CD2 4.32Å; T368-L370 HydrophobicContact CG2-CG 4.46Å; T368-P387 WeakPolarHBondContact CB-O 3.04Å; T368-P387 PolarHBondContact N-O 2.84Å; T368-L388 CarbonylContact O-C 3.55Å; T368-L388 WeakPolarHBondContact O-CA 3.03Å; T368-L389 PolarHBondContact O-N 3.29Å |
| 369 | V | 96.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.4 | 172.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | F295 M322 V354 L389 L391 | F295-V369 HydrophobicContact CZ-CG2 4.12Å; M322-V369 HydrophobicContact CE-CG2 3.77Å; M322-V369 HydrophobicContact SD-CG2 3.59Å; M322-V369 VanDerWaalsContact SD-CG2 3.59Å; V354-V369 HydrophobicContact CB-CB 4.18Å; V354-V369 PolarHBondContact N-O 3.49Å; V354-V369 PolarHBondContact O-N 3.12Å; V369-L389 WeakPolarHBondContact CA-O 3.23Å; V369-L389 HydrophobicContact CG2-CB 4.23Å; V369-L389 HydrophobicContact CG2-CD2 4.22Å; V369-L391 HydrophobicContact CG1-CB 4.19Å; V369-L391 HydrophobicContact CG1-CD1 4.38Å |
| 370 | L | 96.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 100.7 | 179.1 | -62.9 | 175 | 0 | 0 | 0 | 109.4 | A346 L353 T368 Y379 L388 L389 L391 | A346-L370 HydrophobicContact CB-CD1 3.65Å; A346-L370 HydrophobicContact CB-CD2 3.9Å; A346-L370 HydrophobicContact CB-CG 4.25Å; L353-L370 HydrophobicContact CD1-CD2 3.76Å; T368-L370 HydrophobicContact CG2-CD2 4.32Å; T368-L370 HydrophobicContact CG2-CG 4.46Å; L370-Y379 HydrophobicContact CD1-CD2 3.82Å; L370-Y379 HydrophobicContact CD1-CE2 3.95Å; L370-L388 HydrophobicContact CD1-CD1 3.89Å; L370-L388 HydrophobicContact CD1-CD2 4.02Å; L370-L388 HydrophobicContact CD1-CG 4.03Å; L370-L389 PolarHBondContact N-O 2.85Å; L370-L391 PolarHBondContact O-N 3.12Å |
| 371 | C | 95.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.2 | -177.8 | -57.8 | 0 | 0 | 0 | 0 | 111 | A351 T352 | A351-C371 CarbonylContact C-O 3.52Å; A351-C371 VanDerWaalsContact CA-O 3.3Å; A351-C371 WeakPolarHBondContact CA-O 3.23Å; A351-C371 WeakPolarHBondContact CB-O 3.44Å; T352-C371 PolarHBondContact N-O 3.35Å; T352-C371 PolarHBondContact O-N 3.41Å |
| 372 | G | 86.8 | Confident | 90.2 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 30.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L391 | G372-L391 PolarHBondContact N-O 3.25Š|
| 373 | A | 88.8 | Confident | 90.9 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | trans | -64.9 | 143.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y379 V380 P390 L391 L392 | A373-Y379 HydrophobicContact CB-CE2 3.7Å; A373-V380 HydrophobicContact CB-CG2 3.66Å; A373-P390 HydrophobicContact CB-CB 4.39Å; A373-L391 PolarHBondContact N-O 2.94Å; A373-L392 HydrophobicContact CB-CD2 3.9Å; A373-L392 WeakPolarHBondContact O-CD2 3.17Å | ||
| 374 | A | 90 | Very high | 91.5 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | trans | -78.6 | 133.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S376 S377 V380 | A374-S376 PolarHBondContact O-N 2.89Å; A374-S377 WeakPolarHBondContact O-CB 3.31Å; A374-S377 PolarHBondContact O-N 3.2Å; A374-S377 PolarHBondContact O-OG 3.15Å; A374-V380 WeakPolarHBondContact O-CG2 3.39Å | ||
| 375 | P | 90.9 | Very high | 91.4 | Very high | 51 Ų | 51 | 25.6 Ų | 25.6 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.4 | -176.1 | -28.8 | 35.1 | 0 | 0 | 0 | 114.8 | L392 L403 H406 | P375-L392 HydrophobicContact CG-CD2 4.33Å; P375-L403 HydrophobicContact CB-CD2 4.01Å; P375-L403 HydrophobicContact CG-CD2 3.75Å; P375-H406 PolarHBondContact O-CD2 2.91Å; P375-H406 PolarHBondContact O-NE2 2.93Å |
| 376 | S | 92.2 | Very high | 91.2 | Very high | 93 Ų | 93 | 26.7 Ų | 26.7 | 65% | 0.65 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | A374 | A374-S376 PolarHBondContact O-N 2.89Š|
| 377 | S | 93.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.5 | 141.5 | -176.9 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | Q349 A374 Y379 V380 V381 | Q349-S377 PolarHBondContact OE1-OG 3.34Å; A374-S377 WeakPolarHBondContact O-CB 3.31Å; A374-S377 PolarHBondContact O-N 3.2Å; A374-S377 PolarHBondContact O-OG 3.15Å; S377-Y379 VanDerWaalsContact C-N 3.26Å; S377-Y379 PolarHBondContact O-N 3.35Å; S377-V380 WeakPolarHBondContact O-CA 3.32Å; S377-V380 WeakPolarHBondContact O-CB 3.23Å; S377-V380 PolarHBondContact O-N 2.93Å; S377-V381 PolarHBondContact O-N 3.43Å |
| 378 | P | 91.9 | Very high | 91 | Very high | 71 Ų | 71 | 27.3 Ų | 27.3 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.4 | -38.8 | -178.1 | -26.6 | 35.1 | 0 | 0 | 0 | 113.6 | E345 V380 V381 T382 | E345-P378 WeakPolarHBondContact OE1-CD 3.37Å; P378-V380 PolarHBondContact O-N 2.83Å; P378-V381 PolarHBondContact O-N 3.37Å; P378-T382 CarbonylContact O-C 3.58Å; P378-T382 VanDerWaalsContact O-C 3.29Å; P378-T382 PolarHBondContact O-N 3.19Å; P378-T382 VanDerWaalsContact O-O 3.09Å; P378-T382 PolarHBondContact O-OG1 3.48Å |
| 379 | Y | 91.5 | Very high | 91 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.4 | -7.7 | 177.9 | 63.2 | -97.9 | 0 | 0 | 0 | 114.3 | A342 E345 A346 Q349 L370 A373 S377 P383 P390 | A342-Y379 HydrophobicContact CB-CG 4.39Å; E345-Y379 HydrophobicContact CB-CE1 4.46Å; E345-Y379 HydrophobicContact CG-CE1 4.29Å; A346-Y379 HydrophobicContact CB-CE1 3.82Å; A346-Y379 HydrophobicContact CB-CE2 3.91Å; Q349-Y379 PolarHBondContact OE1-OH 2.92Å; L370-Y379 HydrophobicContact CD1-CD2 3.82Å; L370-Y379 HydrophobicContact CD1-CE2 3.95Å; A373-Y379 HydrophobicContact CB-CE2 3.7Å; S377-Y379 VanDerWaalsContact C-N 3.26Å; S377-Y379 PolarHBondContact O-N 3.35Å; Y379-P383 WeakPolarHBondContact O-CA 3.49Å; Y379-P383 WeakPolarHBondContact O-CB 3.4Å; Y379-P383 WeakPolarHBondContact O-CG 3.44Å; Y379-P390 WeakPolarHBondContact O-CG 3.37Å |
| 380 | V | 93.4 | Very high | 91 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -96.1 | -46.3 | 169.9 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | V303 A373 A374 S377 P378 P390 L392 | V303-V380 HydrophobicContact CG1-CG1 4.13Å; V303-V380 HydrophobicContact CG2-CG1 4.44Å; V303-V380 WeakPolarHBondContact CG2-O 3.32Å; A373-V380 HydrophobicContact CB-CG2 3.66Å; A374-V380 WeakPolarHBondContact O-CG2 3.39Å; S377-V380 WeakPolarHBondContact O-CA 3.32Å; S377-V380 WeakPolarHBondContact O-CB 3.23Å; S377-V380 PolarHBondContact O-N 2.93Å; P378-V380 PolarHBondContact O-N 2.83Å; V380-P390 HydrophobicContact CG2-CB 3.87Å; V380-P390 HydrophobicContact CG2-CG 4.45Å; V380-L392 HydrophobicContact CG1-CD1 3.91Å; V380-L392 HydrophobicContact CG1-CD2 4.24Å; V380-L392 HydrophobicContact CG1-CG 4.42Å; V380-L392 HydrophobicContact CG2-CD2 4.38Å |
| 381 | V | 91.4 | Very high | 91 | Very high | 36 Ų | 36 | 27.4 Ų | 27.4 | 22% | 0.218 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | -176.2 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | S377 P378 P408 | S377-V381 PolarHBondContact O-N 3.43Å; P378-V381 PolarHBondContact O-N 3.37Å; V381-P408 HydrophobicContact CG1-CG 4.15Å |
| 382 | T | 87.4 | Confident | 91.1 | Very high | 78 Ų | 78 | 26.9 Ų | 26.9 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -140.4 | 79.4 | 177.3 | 49 | 0 | 0 | 0 | 0 | 108.7 | P378 | P378-T382 CarbonylContact O-C 3.58Å; P378-T382 VanDerWaalsContact O-C 3.29Å; P378-T382 PolarHBondContact O-N 3.19Å; P378-T382 VanDerWaalsContact O-O 3.09Å; P378-T382 PolarHBondContact O-OG1 3.48Å |
| 383 | P | 89.3 | Confident | 91.6 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 5% | 0.045 | 19% | 0.188 | C | C | . | . | trans | -56.7 | 143.5 | -179.9 | -21.9 | 33.1 | 0 | 0 | 0 | 111.6 | T272 H301 V303 Y379 P390 | T272-P383 HydrophobicContact CG2-CG 4.05Å; T272-P383 WeakPolarHBondContact OG1-CD 3.48Å; H301-P383 HydrophobicContact CB-CB 4.24Å; H301-P383 HydrophobicContact CB-CG 4.11Å; V303-P383 HydrophobicContact CG2-CG 4.31Å; Y379-P383 WeakPolarHBondContact O-CA 3.49Å; Y379-P383 WeakPolarHBondContact O-CB 3.4Å; Y379-P383 WeakPolarHBondContact O-CG 3.44Å; P383-P390 HydrophobicContact CG-CG 4.31Å | ||
| 384 | P | 88.9 | Confident | 92 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | trans | -66.2 | 153.2 | 176.8 | 29.3 | -36.1 | 0 | 0 | 0 | 111.3 | L338 V339 A342 G386 L388 | L338-P384 HydrophobicContact CB-CB 3.81Å; V339-P384 HydrophobicContact CG2-CB 4.18Å; V339-P384 HydrophobicContact CG2-CG 4.1Å; A342-P384 HydrophobicContact CB-CG 3.84Å; P384-G386 PolarHBondContact O-N 3.31Å; P384-L388 HydrophobicContact CG-CD1 4.11Å | ||
| 385 | P | 83.3 | Confident | 92.4 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 34% | 0.338 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -65.4 | 104 | 175.6 | 27.7 | -34.4 | 0 | 0 | 0 | 110.2 | D335 L338 | D335-P385 HydrophobicContact CB-CG 4.08Å; D335-P385 WeakPolarHBondContact OD1-CG 3.42Å; L338-P385 HydrophobicContact CD1-CG 4.38Å |
| 386 | G | 85.3 | Confident | 92.7 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 170.1 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P384 L388 | P384-G386 PolarHBondContact O-N 3.31Å; G386-L388 PolarHBondContact O-N 3.49Å |
| 387 | P | 90.1 | Very high | 93 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -79.7 | 56.6 | -179.5 | 37 | -38 | 0 | 0 | 0 | 111 | F295 V328 Y365 T368 | F295-P387 HydrophobicContact CD1-CB 3.71Å; F295-P387 HydrophobicContact CE1-CB 4.12Å; F295-P387 WeakPolarHBondContact CE1-O 3.47Å; V328-P387 HydrophobicContact CB-CB 3.77Å; V328-P387 HydrophobicContact CB-CG 3.99Å; V328-P387 HydrophobicContact CG1-CB 4.09Å; V328-P387 HydrophobicContact CG2-CB 3.89Å; Y365-P387 HydrophobicContact CD1-CG 4.03Å; Y365-P387 HydrophobicContact CG-CG 4.34Å; T368-P387 WeakPolarHBondContact CB-O 3.04Å; T368-P387 PolarHBondContact N-O 2.84Å |
| 388 | L | 92.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.2 | -179.4 | -177.1 | 151.6 | 0 | 0 | 0 | 109.6 | V339 A342 V343 T368 L370 P384 G386 P390 | V339-L388 HydrophobicContact CG1-CB 4.47Å; V339-L388 HydrophobicContact CG1-CD1 4.11Å; A342-L388 HydrophobicContact CB-CD1 3.86Å; V343-L388 HydrophobicContact CG2-CD1 4.02Å; T368-L388 CarbonylContact O-C 3.55Å; T368-L388 WeakPolarHBondContact O-CA 3.03Å; L370-L388 HydrophobicContact CD1-CD1 3.89Å; L370-L388 HydrophobicContact CD1-CD2 4.02Å; L370-L388 HydrophobicContact CD1-CG 4.03Å; P384-L388 HydrophobicContact CG-CD1 4.11Å; G386-L388 PolarHBondContact O-N 3.49Å; L388-P390 HydrophobicContact CD2-CG 3.88Å |
| 389 | L | 95.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 105.7 | -178.6 | -178.4 | 66.8 | 0 | 0 | 0 | 110 | V290 A294 F295 W302 L304 T368 V369 L370 | V290-L389 HydrophobicContact CG1-CD2 3.42Å; V290-L389 VanDerWaalsContact CG1-CD2 3.42Å; A294-L389 HydrophobicContact CB-CD1 4.24Å; A294-L389 HydrophobicContact CB-CD2 4.22Å; F295-L389 HydrophobicContact CZ-CB 4.25Å; W302-L389 HydrophobicContact CB-CD1 3.98Å; W302-L389 WeakPolarHBondContact O-CD1 3.46Å; L304-L389 HydrophobicContact CB-CD1 4.16Å; L304-L389 HydrophobicContact CB-CD2 4.27Å; L304-L389 HydrophobicContact CB-CG 4.2Å; L304-L389 HydrophobicContact CD2-CD2 4.15Å; T368-L389 PolarHBondContact O-N 3.29Å; V369-L389 WeakPolarHBondContact CA-O 3.23Å; V369-L389 HydrophobicContact CG2-CB 4.23Å; V369-L389 HydrophobicContact CG2-CD2 4.22Å; L370-L389 PolarHBondContact N-O 2.85Å |
| 390 | P | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.9 | 172.5 | -12.1 | 28.4 | 0 | 0 | 0 | 110.7 | V303 L304 A373 Y379 V380 P383 L388 | V303-P390 HydrophobicContact CG2-CG 4.41Å; L304-P390 PolarHBondContact N-O 3.48Å; A373-P390 HydrophobicContact CB-CB 4.39Å; Y379-P390 WeakPolarHBondContact O-CG 3.37Å; V380-P390 HydrophobicContact CG2-CB 3.87Å; V380-P390 HydrophobicContact CG2-CG 4.45Å; P383-P390 HydrophobicContact CG-CG 4.31Å; L388-P390 HydrophobicContact CD2-CG 3.88Å |
| 391 | L | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.5 | 176.6 | -172.6 | 165.5 | 0 | 0 | 0 | 110.4 | L304 V306 V315 L318 V369 L370 G372 A373 M393 | L304-L391 HydrophobicContact CB-CB 4.5Å; L304-L391 HydrophobicContact CB-CG 4.49Å; L304-L391 HydrophobicContact CD2-CD1 3.87Å; L304-L391 HydrophobicContact CD2-CG 4.14Å; L304-L391 HydrophobicContact CG-CG 4.28Å; L304-L391 CarbonylContact O-C 3.58Å; L304-L391 VanDerWaalsContact O-CA 3.29Å; L304-L391 WeakPolarHBondContact O-CA 3.31Å; V306-L391 HydrophobicContact CG2-CD1 4.26Å; V306-L391 HydrophobicContact CG2-CD2 4.35Å; V306-L391 HydrophobicContact CG2-CG 4.13Å; V315-L391 HydrophobicContact CG2-CD1 3.84Å; L318-L391 HydrophobicContact CD1-CD1 4.46Å; V369-L391 HydrophobicContact CG1-CB 4.19Å; V369-L391 HydrophobicContact CG1-CD1 4.38Å; L370-L391 PolarHBondContact O-N 3.12Å; G372-L391 PolarHBondContact N-O 3.25Å; A373-L391 PolarHBondContact N-O 2.94Å; L391-M393 HydrophobicContact CD2-CG 4.16Å |
| 392 | L | 96.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 150.5 | 174.4 | -53.4 | 178.7 | 0 | 0 | 0 | 110 | V303 L304 C305 V306 A373 P375 V380 L403 | V303-L392 HydrophobicContact CG1-CD1 3.76Å; V303-L392 HydrophobicContact CG1-CG 4.01Å; L304-L392 PolarHBondContact O-N 3.49Å; C305-L392 CarbonylContact C-O 3.56Å; C305-L392 WeakPolarHBondContact CA-O 3.47Å; V306-L392 PolarHBondContact N-O 3.04Å; A373-L392 HydrophobicContact CB-CD2 3.9Å; A373-L392 WeakPolarHBondContact O-CD2 3.17Å; P375-L392 HydrophobicContact CG-CD2 4.33Å; V380-L392 HydrophobicContact CG1-CD1 3.91Å; V380-L392 HydrophobicContact CG1-CD2 4.24Å; V380-L392 HydrophobicContact CG1-CG 4.42Å; V380-L392 HydrophobicContact CG2-CD2 4.38Å; L392-L403 HydrophobicContact CB-CD1 4.14Å; L392-L403 HydrophobicContact CD1-CD1 4.48Å; L392-L403 HydrophobicContact CD1-CD2 4.28Å |
| 393 | M | 97.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 43% | 0.433 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 151.3 | 174.6 | -62.9 | -174.6 | -62.7 | 0 | 0 | 111.2 | V306 S311 L391 L403 | V306-M393 CarbonylContact O-C 3.58Å; V306-M393 VanDerWaalsContact O-CA 3.24Å; V306-M393 WeakPolarHBondContact O-CA 3.27Å; S311-M393 PolarHBondContact OG-SD 3.39Å; S311-M393 VanDerWaalsContact OG-SD 3.32Å; L391-M393 HydrophobicContact CD2-CG 4.16Å; M393-L403 WeakPolarHBondContact O-CD1 3.32Å |
| 394 | F | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 163.3 | 172.7 | 68.5 | -94.2 | 0 | 0 | 0 | 111.6 | I276 I277 F278 C305 V306 Q307 E308 S396 E399 A400 L403 | I276-F394 HydrophobicContact CG2-CE1 3.75Å; I276-F394 HydrophobicContact CG2-CZ 3.82Å; I277-F394 WeakPolarHBondContact O-CZ 3.39Å; F278-F394 AromaticContact CD1-CE2 3.64Å; F278-F394 HydrophobicContact CD1-CE2 3.64Å; F278-F394 AromaticContact CD1-CZ 3.72Å; F278-F394 HydrophobicContact CD1-CZ 3.72Å; F278-F394 AromaticContact CE1-CE2 3.56Å; F278-F394 HydrophobicContact CE1-CE2 3.56Å; F278-F394 AromaticContact CE1-CZ 3.8Å; F278-F394 HydrophobicContact CE1-CZ 3.8Å; F278-F394 HydrophobicContact CG-CZ 4.24Å; F278-F394 HydrophobicContact CZ-CE2 4.44Å; F278-F394 HydrophobicContact CZ-CZ 4.39Å; C305-F394 HydrophobicContact CB-CD1 4.08Å; C305-F394 HydrophobicContact CB-CE1 4.22Å; V306-F394 WeakPolarHBondContact O-CD1 3.41Å; V306-F394 PolarHBondContact O-N 2.94Å; Q307-F394 CarbonylContact C-O 3.55Å; Q307-F394 WeakPolarHBondContact CA-O 3.3Å; Q307-F394 HydrophobicContact CB-CD2 4.3Å; Q307-F394 HydrophobicContact CB-CE1 4.3Å; Q307-F394 HydrophobicContact CB-CE2 3.64Å; Q307-F394 HydrophobicContact CB-CZ 3.65Å; Q307-F394 HydrophobicContact CG-CD2 4.31Å; Q307-F394 HydrophobicContact CG-CE2 3.85Å; Q307-F394 HydrophobicContact CG-CZ 4.38Å; Q307-F394 VanDerWaalsContact N-CE1 3.31Å; E308-F394 PolarHBondContact N-O 2.93Å; F394-S396 WeakPolarHBondContact CD2-O 3.36Å; F394-E399 HydrophobicContact CB-CB 4.08Å; F394-E399 HydrophobicContact CB-CG 3.81Å; F394-A400 HydrophobicContact CD1-CB 4.02Å; F394-A400 HydrophobicContact CD2-CB 3.71Å; F394-A400 HydrophobicContact CE1-CB 4.04Å; F394-A400 HydrophobicContact CE2-CB 3.75Å; F394-A400 HydrophobicContact CG-CB 3.84Å; F394-A400 HydrophobicContact CZ-CB 3.91Å; F394-L403 HydrophobicContact CB-CD1 3.99Å |
| 395 | R | 97.5 | Very high | 95 | Very high | 173 Ų | 173 | 39.3 Ų | 39.3 | 65% | 0.653 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -112.2 | -22.8 | -177.4 | -63.5 | 177.3 | 173.8 | 152.7 | 3.6 | 114.3 | E308 E399 | E308-R395 IonicContact OE1-NH2 2.84Å; E308-R395 VanDerWaalsContact OE2-CG 3.25Å; E308-R395 WeakPolarHBondContact OE2-CG 3.38Å; E308-R395 IonicContact OE2-CZ 3.97Å; E308-R395 IonicContact OE2-NE 3.34Å; E308-R395 PolarHBondContact OE2-NE 3.22Å; E308-R395 IonicContact OE2-NH2 2.89Å; R395-E399 WeakPolarHBondContact CB-OE2 3.47Å; R395-E399 PolarHBondContact N-OE2 3.3Å |
| 396 | S | 97.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -143.1 | 159.4 | -173.7 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | F394 T398 E399 A400 | F394-S396 WeakPolarHBondContact CD2-O 3.36Å; S396-T398 PolarHBondContact O-N 2.92Å; S396-T398 PolarHBondContact OG-OG1 3.5Å; S396-E399 PolarHBondContact O-N 2.99Å; S396-E399 WeakPolarHBondContact OG-CB 3.48Å; S396-E399 PolarHBondContact OG-N 3.47Å; S396-A400 PolarHBondContact O-N 3.37Å |
| 397 | N | 97.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.7 | -41.4 | 171.4 | -177.1 | 24.2 | 0 | 0 | 0 | 111.9 | F278 E399 A400 V401 L422 T426 | F278-N397 HydrophobicContact CE1-CB 4.28Å; F278-N397 HydrophobicContact CZ-CB 4.47Å; N397-E399 VanDerWaalsContact C-N 3.29Å; N397-E399 PolarHBondContact O-N 2.86Å; N397-A400 WeakPolarHBondContact O-CB 3.35Å; N397-A400 PolarHBondContact O-N 3.39Å; N397-V401 WeakPolarHBondContact O-CG2 3.39Å; N397-V401 PolarHBondContact O-N 3.14Å; N397-L422 HydrophobicContact CB-CD1 3.78Å; N397-T426 PolarHBondContact OD1-OG1 3.33Å |
| 398 | T | 97.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -60.4 | -39.6 | 177.6 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | S396 L402 | S396-T398 PolarHBondContact O-N 2.92Å; S396-T398 PolarHBondContact OG-OG1 3.5Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.37Å; T398-L402 PolarHBondContact O-N 2.67Å |
| 399 | E | 97.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 43 Ų | 43 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.7 | -40.4 | 176.7 | -172.3 | 175.9 | -164.1 | 0 | 0 | 111.6 | F394 R395 S396 N397 V401 L402 L403 | F394-E399 HydrophobicContact CB-CB 4.08Å; F394-E399 HydrophobicContact CB-CG 3.81Å; R395-E399 WeakPolarHBondContact CB-OE2 3.47Å; R395-E399 PolarHBondContact N-OE2 3.3Å; S396-E399 PolarHBondContact O-N 2.99Å; S396-E399 WeakPolarHBondContact OG-CB 3.48Å; S396-E399 PolarHBondContact OG-N 3.47Å; N397-E399 VanDerWaalsContact C-N 3.29Å; N397-E399 PolarHBondContact O-N 2.86Å; E399-V401 VanDerWaalsContact C-N 3.32Å; E399-V401 PolarHBondContact O-N 2.98Å; E399-L402 WeakPolarHBondContact O-CB 3.12Å; E399-L402 PolarHBondContact O-N 3.09Å; E399-L402 VanDerWaalsContact O-N 3.13Å; E399-L403 WeakPolarHBondContact O-CG 3.2Å; E399-L403 PolarHBondContact O-N 2.84Å |
| 400 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | I276 F278 F394 S396 N397 L403 G404 | I276-A400 HydrophobicContact CG2-CB 3.98Å; F278-A400 HydrophobicContact CE1-CB 4.26Å; F278-A400 HydrophobicContact CZ-CB 4.07Å; F394-A400 HydrophobicContact CD1-CB 4.02Å; F394-A400 HydrophobicContact CD2-CB 3.71Å; F394-A400 HydrophobicContact CE1-CB 4.04Å; F394-A400 HydrophobicContact CE2-CB 3.75Å; F394-A400 HydrophobicContact CG-CB 3.84Å; F394-A400 HydrophobicContact CZ-CB 3.91Å; S396-A400 PolarHBondContact O-N 3.37Å; N397-A400 WeakPolarHBondContact O-CB 3.35Å; N397-A400 PolarHBondContact O-N 3.39Å; A400-L403 PolarHBondContact O-N 2.94Å; A400-G404 PolarHBondContact O-N 3.14Å |
| 401 | V | 97.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | N397 E399 G404 N405 T426 | N397-V401 WeakPolarHBondContact O-CG2 3.39Å; N397-V401 PolarHBondContact O-N 3.14Å; E399-V401 VanDerWaalsContact C-N 3.32Å; E399-V401 PolarHBondContact O-N 2.98Å; V401-G404 PolarHBondContact O-N 3.32Å; V401-N405 WeakPolarHBondContact CG1-ND2 3.15Å; V401-N405 WeakPolarHBondContact O-CB 3.49Å; V401-N405 VanDerWaalsContact O-CG 3.27Å; V401-N405 PolarHBondContact O-N 3.26Å; V401-N405 PolarHBondContact O-ND2 3.43Å; V401-T426 HydrophobicContact CG2-CG2 4.06Å |
| 402 | L | 96.6 | Very high | 95.1 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 67% | 0.665 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.9 | -46.3 | 176.7 | -76.8 | 168.3 | 0 | 0 | 0 | 111.7 | T398 E399 N405 H406 | T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.37Å; T398-L402 PolarHBondContact O-N 2.67Å; E399-L402 WeakPolarHBondContact O-CB 3.12Å; E399-L402 PolarHBondContact O-N 3.09Å; E399-L402 VanDerWaalsContact O-N 3.13Å; L402-N405 PolarHBondContact O-N 2.93Å; L402-H406 PolarHBondContact O-N 3.47Å; L402-H406 VanDerWaalsContact O-N 3.14Å |
| 403 | L | 95.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 176.2 | -66.2 | 180 | 0 | 0 | 0 | 111.5 | P375 L392 M393 F394 E399 A400 N405 H406 | P375-L403 HydrophobicContact CB-CD2 4.01Å; P375-L403 HydrophobicContact CG-CD2 3.75Å; L392-L403 HydrophobicContact CB-CD1 4.14Å; L392-L403 HydrophobicContact CD1-CD1 4.48Å; L392-L403 HydrophobicContact CD1-CD2 4.28Å; M393-L403 WeakPolarHBondContact O-CD1 3.32Å; F394-L403 HydrophobicContact CB-CD1 3.99Å; E399-L403 WeakPolarHBondContact O-CG 3.2Å; E399-L403 PolarHBondContact O-N 2.84Å; A400-L403 PolarHBondContact O-N 2.94Å; L403-N405 PolarHBondContact O-N 2.9Å; L403-H406 WeakPolarHBondContact O-CB 3.4Å; L403-H406 PolarHBondContact O-N 3.38Å |
| 404 | G | 94.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -31.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A400 V401 | A400-G404 PolarHBondContact O-N 3.14Å; V401-G404 PolarHBondContact O-N 3.32Å |
| 405 | N | 94.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.8 | 175.4 | -72 | -23.7 | 0 | 0 | 0 | 114.3 | V401 L402 L403 S407 S429 L430 S431 K453 | V401-N405 WeakPolarHBondContact CG1-ND2 3.15Å; V401-N405 WeakPolarHBondContact O-CB 3.49Å; V401-N405 VanDerWaalsContact O-CG 3.27Å; V401-N405 PolarHBondContact O-N 3.26Å; V401-N405 PolarHBondContact O-ND2 3.43Å; L402-N405 PolarHBondContact O-N 2.93Å; L403-N405 PolarHBondContact O-N 2.9Å; N405-S407 VanDerWaalsContact C-N 3.33Å; N405-S407 PolarHBondContact O-N 3.39Å; N405-S429 PolarHBondContact ND2-O 2.97Å; N405-L430 WeakPolarHBondContact OD1-CA 3.41Å; N405-S431 PolarHBondContact OD1-N 3.23Å; N405-K453 PolarHBondContact O-NZ 3.03Å |
| 406 | H | 91.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 32.1 Ų | 32.1 | 44% | 0.44 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -31.6 | -178.5 | -167.2 | 63.6 | 0 | 0 | 0 | 112.6 | P375 L402 L403 | P375-H406 PolarHBondContact O-CD2 2.91Å; P375-H406 PolarHBondContact O-NE2 2.93Å; L402-H406 PolarHBondContact O-N 3.47Å; L402-H406 VanDerWaalsContact O-N 3.14Å; L403-H406 WeakPolarHBondContact O-CB 3.4Å; L403-H406 PolarHBondContact O-N 3.38Å |
| 407 | S | 89.3 | Confident | 95.2 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -56.3 | 139.1 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | T272 N405 H409 K453 | T272-S407 PolarHBondContact O-OG 3.42Å; N405-S407 VanDerWaalsContact C-N 3.33Å; N405-S407 PolarHBondContact O-N 3.39Å; S407-H409 PolarHBondContact O-N 3.02Å; S407-H409 WeakPolarHBondContact OG-CB 2.99Å; S407-H409 PolarHBondContact OG-N 3.4Å; S407-H409 VanDerWaalsContact OG-N 3.09Å; S407-K453 PolarHBondContact O-NZ 3.5Å |
| 408 | P | 88.7 | Confident | 95.2 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 28% | 0.279 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -67.1 | -17 | 170 | 29.2 | -34.4 | 0 | 0 | 0 | 111.5 | V381 K453 D454 | V381-P408 HydrophobicContact CG1-CG 4.15Å; P408-K453 WeakPolarHBondContact O-CB 3.21Å; P408-D454 WeakPolarHBondContact O-CB 3.46Å; P408-D454 PolarHBondContact O-N 3.21Å |
| 409 | H | 90.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 160 | 176.2 | -56.3 | -74.4 | 0 | 0 | 0 | 111.5 | A271 S407 S455 | A271-H409 HydrophobicContact CB-CB 4.31Å; S407-H409 PolarHBondContact O-N 3.02Å; S407-H409 WeakPolarHBondContact OG-CB 2.99Å; S407-H409 PolarHBondContact OG-N 3.4Å; S407-H409 VanDerWaalsContact OG-N 3.09Å; H409-S455 WeakPolarHBondContact CB-OG 3.28Å |
| 410 | G | 92.9 | Very high | 95 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 46.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | S431 V432 G433 H452 S455 | G410-S431 WeakPolarHBondContact CA-O 3.44Å; G410-V432 WeakPolarHBondContact O-CA 3.23Å; G410-G433 PolarHBondContact O-N 3.25Å; G410-G433 VanDerWaalsContact O-N 3.14Å; G410-H452 WeakPolarHBondContact CA-O 3.39Å; G410-H452 PolarHBondContact N-O 2.92Å; G410-H452 WeakPolarHBondContact O-CB 3.45Å; G410-H452 PolarHBondContact O-N 2.91Å; G410-S455 PolarHBondContact N-OG 3.43Å |
| 411 | H | 92.9 | Very high | 95 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -81.7 | -65.7 | -176.7 | -175.4 | 69.8 | 0 | 0 | 0 | 111 | A271 G433 S434 S455 | A271-H411 HydrophobicContact CB-CB 3.69Å; H411-G433 WeakPolarHBondContact O-CA 3.37Å; H411-G433 PolarHBondContact O-N 3.32Å; H411-S434 PolarHBondContact O-N 2.85Å; H411-S434 VanDerWaalsContact O-N 3.1Å; H411-S455 PolarHBondContact N-OG 3.27Å; H411-S455 VanDerWaalsContact N-OG 3.16Å |
| 412 | A | 94.3 | Very high | 95 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 169.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C273 P274 S434 W436 | C273-A412 WeakPolarHBondContact CB-O 3.41Å; P274-A412 WeakPolarHBondContact CD-O 3.27Å; A412-S434 CarbonylContact C-O 3.55Å; A412-S434 WeakPolarHBondContact CA-O 3.45Å; A412-W436 HydrophobicContact CB-CE3 4.18Å; A412-W436 HydrophobicContact CB-CH2 3.37Å; A412-W436 HydrophobicContact CB-CZ2 4.44Å; A412-W436 HydrophobicContact CB-CZ3 3.22Å |
| 413 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P274 L430 V432 S434 V435 W436 | P274-A413 HydrophobicContact CG-CB 3.78Å; P274-A413 WeakPolarHBondContact O-CA 3.35Å; A413-L430 HydrophobicContact CB-CD1 3.68Å; A413-V432 HydrophobicContact CB-CG1 4.37Å; A413-V432 HydrophobicContact CB-CG2 3.91Å; A413-S434 PolarHBondContact N-O 2.87Å; A413-V435 CarbonylContact O-C 3.44Å; A413-V435 WeakPolarHBondContact O-CA 3.42Å; A413-W436 VanDerWaalsContact O-CE3 3.31Å; A413-W436 PolarHBondContact O-N 3.43Å |
| 414 | S | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.1 | 168.7 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | P274 F275 I276 W416 W436 S439 | P274-S414 PolarHBondContact O-N 3.4Å; F275-S414 CarbonylContact C-O 3.56Å; F275-S414 WeakPolarHBondContact CA-O 3.35Å; F275-S414 VanDerWaalsContact CD2-CB 3.5Å; F275-S414 WeakPolarHBondContact CE2-OG 3.48Å; I276-S414 PolarHBondContact N-O 3.33Å; S414-W416 PolarHBondContact OG-NE1 3.23Å; S414-W436 CarbonylContact C-O 3.53Å; S414-W436 WeakPolarHBondContact CA-O 3.48Å; S414-S439 PolarHBondContact OG-O 3.27Å |
| 415 | I | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.7 | -177.3 | -58.5 | 170.3 | 0 | 0 | 0 | 108.4 | I276 F278 T417 T426 A427 L430 V435 W436 V437 N438 | I276-I415 CarbonylContact O-C 3.49Å; F278-I415 HydrophobicContact CD2-CG2 4.17Å; F278-I415 HydrophobicContact CE2-CG2 3.89Å; I415-T417 HydrophobicContact CG2-CG2 4.16Å; I415-T426 HydrophobicContact CD1-CG2 3.71Å; I415-T426 HydrophobicContact CG1-CG2 4.23Å; I415-A427 HydrophobicContact CD1-CB 3.94Å; I415-L430 HydrophobicContact CD1-CD1 3.97Å; I415-L430 HydrophobicContact CG1-CD1 4.25Å; I415-V435 HydrophobicContact CD1-CG1 3.42Å; I415-V435 VanDerWaalsContact CD1-CG1 3.42Å; I415-V435 HydrophobicContact CG1-CG1 3.96Å; I415-W436 PolarHBondContact N-O 2.79Å; I415-V437 CarbonylContact O-C 3.38Å; I415-V437 WeakPolarHBondContact O-CA 3.01Å; I415-N438 PolarHBondContact O-N 2.86Å |
| 416 | W | 98.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 5% | 0.045 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.9 | -179.3 | -70.4 | 74.2 | 0 | 0 | 0 | 110.4 | F275 I276 I277 F278 A281 A286 E289 S414 N438 | F275-W416 AromaticContact CE1-CD1 3.32Å; F275-W416 HydrophobicContact CE1-CG 4.09Å; F275-W416 AromaticContact CE1-NE1 3.42Å; F275-W416 AromaticContact CE2-NE1 3.42Å; F275-W416 AromaticContact CZ-CD1 3.38Å; F275-W416 HydrophobicContact CZ-CD2 4.33Å; F275-W416 AromaticContact CZ-CE2 3.54Å; F275-W416 HydrophobicContact CZ-CG 4.24Å; F275-W416 HydrophobicContact CZ-CZ2 4.12Å; F275-W416 AromaticContact CZ-NE1 2.9Å; I276-W416 PolarHBondContact O-N 3.4Å; I277-W416 HydrophobicContact CG1-CB 4.34Å; F278-W416 PolarHBondContact N-O 3.29Å; A281-W416 HydrophobicContact CB-CB 3.86Å; A281-W416 WeakPolarHBondContact CB-O 3.33Å; A286-W416 VanDerWaalsContact CA-CE3 3.44Å; A286-W416 HydrophobicContact CB-CB 4.13Å; A286-W416 HydrophobicContact CB-CD2 3.49Å; A286-W416 VanDerWaalsContact CB-CD2 3.49Å; A286-W416 HydrophobicContact CB-CE3 3.43Å; A286-W416 VanDerWaalsContact CB-CE3 3.43Å; A286-W416 HydrophobicContact CB-CG 3.8Å; A286-W416 HydrophobicContact CB-CZ3 4.04Å; A286-W416 VanDerWaalsContact N-CZ3 3.31Å; E289-W416 HydrophobicContact CB-CH2 3.9Å; E289-W416 HydrophobicContact CB-CZ2 3.49Å; E289-W416 VanDerWaalsContact CB-CZ2 3.49Å; E289-W416 HydrophobicContact CG-CH2 4.5Å; E289-W416 HydrophobicContact CG-CZ2 3.8Å; S414-W416 PolarHBondContact OG-NE1 3.23Å; W416-N438 VanDerWaalsContact CA-OD1 3.27Å; W416-N438 WeakPolarHBondContact CA-OD1 3.44Å; W416-N438 HydrophobicContact CE3-CB 4.28Å; W416-N438 HydrophobicContact CZ3-CB 4.39Å |
| 417 | T | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -172 | 143.1 | 178.7 | 176 | 0 | 0 | 0 | 0 | 109.5 | F278 S280 I415 D419 A423 N438 | F278-T417 HydrophobicContact CD2-CG2 4.34Å; S280-T417 PolarHBondContact OG-OG1 3.47Å; I415-T417 HydrophobicContact CG2-CG2 4.16Å; T417-D419 VanDerWaalsContact C-N 3.29Å; T417-D419 WeakPolarHBondContact CG2-O 3.47Å; T417-D419 PolarHBondContact OG1-N 3.44Å; T417-A423 HydrophobicContact CG2-CB 3.64Å; T417-N438 PolarHBondContact N-OD1 2.93Å; T417-N438 PolarHBondContact O-ND2 3.45Å; T417-N438 PolarHBondContact O-OD1 3.07Å; T417-N438 VanDerWaalsContact O-OD1 3.12Å | ||
| 418 | E | 96.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 40.2 Ų | 40.2 | 59% | 0.593 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -81.1 | -7.9 | 167.9 | -63.4 | -55.3 | 134.3 | 0 | 0 | 113.1 | S280 L420 | S280-E418 WeakPolarHBondContact O-CB 3.38Å; S280-E418 WeakPolarHBondContact O-CG 3.37Å; S280-E418 PolarHBondContact O-N 3.35Å; S280-E418 VanDerWaalsContact O-N 3.08Å; E418-L420 PolarHBondContact O-N 3.37Å |
| 419 | D | 97.3 | Very high | 95.9 | Very high | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | trans | -87 | 105.9 | 174 | -176.3 | -18.5 | 0 | 0 | 0 | 110.8 | T417 T421 L422 A423 | T417-D419 VanDerWaalsContact C-N 3.29Å; T417-D419 WeakPolarHBondContact CG2-O 3.47Å; T417-D419 PolarHBondContact OG1-N 3.44Å; D419-T421 VanDerWaalsContact C-N 3.31Å; D419-T421 PolarHBondContact O-N 2.8Å; D419-T421 WeakPolarHBondContact OD1-CA 3.48Å; D419-T421 WeakPolarHBondContact OD1-CB 3.47Å; D419-T421 PolarHBondContact OD1-N 3.48Å; D419-L422 HydrophobicContact CB-CB 3.85Å; D419-L422 PolarHBondContact O-N 2.96Å; D419-L422 PolarHBondContact OD1-N 3.26Å; D419-L422 VanDerWaalsContact OD1-N 3.09Å; D419-A423 PolarHBondContact O-N 3.38Å | ||
| 420 | L | 94.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -36.4 | 178.2 | -180 | 61.9 | 0 | 0 | 0 | 113 | E418 A423 L424 I793 | E418-L420 PolarHBondContact O-N 3.37Å; L420-A423 PolarHBondContact O-N 3.07Å; L420-L424 HydrophobicContact CD1-CD1 4.03Å; L420-L424 HydrophobicContact CD1-CG 4.06Å; L420-L424 HydrophobicContact CG-CD1 4.02Å; L420-L424 HydrophobicContact CG-CG 4.42Å; L420-L424 WeakPolarHBondContact O-CB 3.38Å; L420-L424 VanDerWaalsContact O-CG 3.29Å; L420-L424 WeakPolarHBondContact O-CG 3.41Å; L420-L424 PolarHBondContact O-N 2.7Å; L420-I793 HydrophobicContact CD1-CD1 4.37Å; L420-I793 HydrophobicContact CD1-CG2 4.08Å |
| 421 | T | 96.6 | Very high | 96.2 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 53% | 0.534 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.8 | -48 | -179.1 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | D419 A423 L424 E425 | D419-T421 VanDerWaalsContact C-N 3.31Å; D419-T421 PolarHBondContact O-N 2.8Å; D419-T421 WeakPolarHBondContact OD1-CA 3.48Å; D419-T421 WeakPolarHBondContact OD1-CB 3.47Å; D419-T421 PolarHBondContact OD1-N 3.48Å; T421-A423 PolarHBondContact O-N 3.48Å; T421-L424 PolarHBondContact O-N 3.5Å; T421-E425 HydrophobicContact CG2-CG 4.48Å; T421-E425 WeakPolarHBondContact O-CB 3.47Å; T421-E425 WeakPolarHBondContact O-CG 3.23Å; T421-E425 PolarHBondContact O-N 3.31Å |
| 422 | L | 97.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 174.3 | -179.8 | 56.3 | 0 | 0 | 0 | 111.1 | F278 N397 D419 L424 E425 T426 | F278-L422 HydrophobicContact CB-CD2 4.15Å; F278-L422 HydrophobicContact CD1-CD2 3.69Å; F278-L422 HydrophobicContact CD1-CG 4.41Å; F278-L422 HydrophobicContact CD2-CD2 4.05Å; F278-L422 HydrophobicContact CD2-CG 4.32Å; F278-L422 HydrophobicContact CE1-CD1 4.02Å; F278-L422 HydrophobicContact CE1-CD2 4.02Å; F278-L422 HydrophobicContact CE1-CG 4.29Å; F278-L422 HydrophobicContact CE2-CD1 4.47Å; F278-L422 HydrophobicContact CE2-CD2 4.35Å; F278-L422 HydrophobicContact CE2-CG 4.19Å; F278-L422 HydrophobicContact CG-CD2 3.7Å; F278-L422 HydrophobicContact CG-CG 4.42Å; F278-L422 HydrophobicContact CZ-CD1 3.98Å; F278-L422 HydrophobicContact CZ-CD2 4.34Å; F278-L422 HydrophobicContact CZ-CG 4.18Å; N397-L422 HydrophobicContact CB-CD1 3.78Å; D419-L422 HydrophobicContact CB-CB 3.85Å; D419-L422 PolarHBondContact O-N 2.96Å; D419-L422 PolarHBondContact OD1-N 3.26Å; D419-L422 VanDerWaalsContact OD1-N 3.09Å; L422-L424 PolarHBondContact O-N 3.16Å; L422-E425 PolarHBondContact O-N 2.97Å; L422-T426 WeakPolarHBondContact O-CB 3.39Å; L422-T426 PolarHBondContact O-N 3.22Å; L422-T426 PolarHBondContact O-OG1 3.44Å |
| 423 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T417 D419 L420 T421 A427 V437 | T417-A423 HydrophobicContact CG2-CB 3.64Å; D419-A423 PolarHBondContact O-N 3.38Å; L420-A423 PolarHBondContact O-N 3.07Å; T421-A423 PolarHBondContact O-N 3.48Å; A423-A427 WeakPolarHBondContact O-CB 3.14Å; A423-A427 PolarHBondContact O-N 3.42Å; A423-V437 HydrophobicContact CB-CG1 3.68Å; A423-V437 HydrophobicContact CB-CG2 3.97Å |
| 424 | L | 95.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.335 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.8 | -39.7 | -178.1 | -70.8 | 176.5 | 0 | 0 | 0 | 112.6 | L420 T421 L422 A427 K428 L642 I793 | L420-L424 HydrophobicContact CD1-CD1 4.03Å; L420-L424 HydrophobicContact CD1-CG 4.06Å; L420-L424 HydrophobicContact CG-CD1 4.02Å; L420-L424 HydrophobicContact CG-CG 4.42Å; L420-L424 WeakPolarHBondContact O-CB 3.38Å; L420-L424 VanDerWaalsContact O-CG 3.29Å; L420-L424 WeakPolarHBondContact O-CG 3.41Å; L420-L424 PolarHBondContact O-N 2.7Å; T421-L424 PolarHBondContact O-N 3.5Å; L422-L424 PolarHBondContact O-N 3.16Å; L424-A427 PolarHBondContact O-N 3.1Å; L424-K428 WeakPolarHBondContact O-CB 3.41Å; L424-K428 PolarHBondContact O-N 3.41Å; L424-L642 HydrophobicContact CD2-CD1 4.37Å; L424-I793 HydrophobicContact CD2-CD1 3.55Å |
| 425 | E | 95.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 41 Ų | 41 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.9 | -75 | -173.5 | 170.3 | 0 | 0 | 112 | T421 L422 S429 | T421-E425 HydrophobicContact CG2-CG 4.48Å; T421-E425 WeakPolarHBondContact O-CB 3.47Å; T421-E425 WeakPolarHBondContact O-CG 3.23Å; T421-E425 PolarHBondContact O-N 3.31Å; L422-E425 PolarHBondContact O-N 2.97Å; E425-S429 WeakPolarHBondContact O-CB 3.21Å; E425-S429 PolarHBondContact O-N 3.34Å; E425-S429 PolarHBondContact O-OG 3.21Å |
| 426 | T | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 174.8 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | I276 F278 N397 V401 I415 L422 K428 S429 L430 | I276-T426 HydrophobicContact CD1-CG2 4.21Å; F278-T426 HydrophobicContact CE2-CG2 4.21Å; F278-T426 HydrophobicContact CZ-CG2 4.2Å; N397-T426 PolarHBondContact OD1-OG1 3.33Å; V401-T426 HydrophobicContact CG2-CG2 4.06Å; I415-T426 HydrophobicContact CD1-CG2 3.71Å; I415-T426 HydrophobicContact CG1-CG2 4.23Å; L422-T426 WeakPolarHBondContact O-CB 3.39Å; L422-T426 PolarHBondContact O-N 3.22Å; L422-T426 PolarHBondContact O-OG1 3.44Å; T426-K428 VanDerWaalsContact C-N 3.32Å; T426-K428 PolarHBondContact O-N 2.92Å; T426-S429 PolarHBondContact O-N 3.23Å; T426-L430 HydrophobicContact CG2-CD1 4.18Å; T426-L430 HydrophobicContact CG2-CG 4.4Å; T426-L430 WeakPolarHBondContact O-CG 3.5Å; T426-L430 PolarHBondContact O-N 3.24Å |
| 427 | A | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.4 | -44.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | I415 A423 L424 S429 V435 K789 V791 | I415-A427 HydrophobicContact CD1-CB 3.94Å; A423-A427 WeakPolarHBondContact O-CB 3.14Å; A423-A427 PolarHBondContact O-N 3.42Å; L424-A427 PolarHBondContact O-N 3.1Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 3.48Å; A427-V435 HydrophobicContact CB-CB 4.17Å; A427-V435 HydrophobicContact CB-CG1 3.72Å; A427-V435 HydrophobicContact CB-CG2 4.21Å; A427-K789 PolarHBondContact O-NZ 3.48Å; A427-K789 VanDerWaalsContact O-NZ 3.13Å; A427-V791 HydrophobicContact CB-CG1 4.08Å; A427-V791 HydrophobicContact CB-CG2 4Å |
| 428 | K | 93.4 | Very high | 95.9 | Very high | 148 Ų | 148 | 43.3 Ų | 43.3 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.6 | -33.8 | 176.2 | -174.6 | 175.6 | -179.9 | 177.1 | 0 | 112.5 | L424 T426 K789 | L424-K428 WeakPolarHBondContact O-CB 3.41Å; L424-K428 PolarHBondContact O-N 3.41Å; T426-K428 VanDerWaalsContact C-N 3.32Å; T426-K428 PolarHBondContact O-N 2.92Å; K428-K789 PolarHBondContact O-NZ 3.03Å; K428-K789 VanDerWaalsContact O-NZ 3.08Å |
| 429 | S | 94.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 38 Ų | 38 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -87.1 | -17.8 | -173.9 | -55.2 | 0 | 0 | 0 | 0 | 114.2 | N405 E425 T426 A427 | N405-S429 PolarHBondContact ND2-O 2.97Å; E425-S429 WeakPolarHBondContact O-CB 3.21Å; E425-S429 PolarHBondContact O-N 3.34Å; E425-S429 PolarHBondContact O-OG 3.21Å; T426-S429 PolarHBondContact O-N 3.23Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 3.48Å |
| 430 | L | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -74.7 | 140.6 | 174.8 | -70 | 171.2 | 0 | 0 | 0 | 111.8 | I276 N405 A413 I415 T426 V432 K789 | I276-L430 HydrophobicContact CD1-CD1 4.04Å; I276-L430 HydrophobicContact CD1-CD2 4.16Å; N405-L430 WeakPolarHBondContact OD1-CA 3.41Å; A413-L430 HydrophobicContact CB-CD1 3.68Å; I415-L430 HydrophobicContact CD1-CD1 3.97Å; I415-L430 HydrophobicContact CG1-CD1 4.25Å; T426-L430 HydrophobicContact CG2-CD1 4.18Å; T426-L430 HydrophobicContact CG2-CG 4.4Å; T426-L430 WeakPolarHBondContact O-CG 3.5Å; T426-L430 PolarHBondContact O-N 3.24Å; L430-V432 HydrophobicContact CB-CG2 4Å; L430-V432 PolarHBondContact O-N 3.02Å; L430-K789 VanDerWaalsContact O-CE 3.23Å; L430-K789 WeakPolarHBondContact O-CE 3.41Å; L430-K789 PolarHBondContact O-NZ 2.9Å |
| 431 | S | 94.1 | Very high | 94.8 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | trans | -93.6 | 64.8 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | N405 G410 | N405-S431 PolarHBondContact OD1-N 3.23Å; G410-S431 WeakPolarHBondContact CA-O 3.44Å | ||
| 432 | V | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | trans | -135 | 154.5 | -177 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | G410 A413 L430 S434 V435 H452 K789 | G410-V432 WeakPolarHBondContact O-CA 3.23Å; A413-V432 HydrophobicContact CB-CG1 4.37Å; A413-V432 HydrophobicContact CB-CG2 3.91Å; L430-V432 HydrophobicContact CB-CG2 4Å; L430-V432 PolarHBondContact O-N 3.02Å; V432-S434 WeakPolarHBondContact CG2-O 3.42Å; V432-V435 HydrophobicContact CG2-CG2 3.52Å; V432-H452 PolarHBondContact O-CE1 3.37Å; V432-H452 PolarHBondContact O-NE2 2.89Å; V432-K789 WeakPolarHBondContact O-CE 3.35Å | ||
| 433 | G | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -72.3 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | G410 H411 S450 H452 K789 S790 | G410-G433 PolarHBondContact O-N 3.25Å; G410-G433 VanDerWaalsContact O-N 3.14Å; H411-G433 WeakPolarHBondContact O-CA 3.37Å; H411-G433 PolarHBondContact O-N 3.32Å; G433-S450 WeakPolarHBondContact CA-O 3.39Å; G433-H452 VanDerWaalsContact CA-CE1 3.49Å; G433-H452 WeakPolarHBondContact CA-CE1 3.37Å; G433-H452 WeakPolarHBondContact CA-ND1 3.21Å; G433-H452 PolarHBondContact N-ND1 2.87Å; G433-K789 CarbonylContact O-C 3.6Å; G433-K789 WeakPolarHBondContact O-CA 3.28Å; G433-S790 PolarHBondContact O-N 2.98Å |
| 434 | S | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.7 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | H411 A412 A413 V432 S790 | H411-S434 PolarHBondContact O-N 2.85Å; H411-S434 VanDerWaalsContact O-N 3.1Å; A412-S434 CarbonylContact C-O 3.55Å; A412-S434 WeakPolarHBondContact CA-O 3.45Å; A413-S434 PolarHBondContact N-O 2.87Å; V432-S434 WeakPolarHBondContact CG2-O 3.42Å; S434-S790 CarbonylContact C-O 3.52Å; S434-S790 WeakPolarHBondContact CA-O 3.39Å |
| 435 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.8 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | A413 I415 A427 V432 K789 S790 V791 W792 | A413-V435 CarbonylContact O-C 3.44Å; A413-V435 WeakPolarHBondContact O-CA 3.42Å; I415-V435 HydrophobicContact CD1-CG1 3.42Å; I415-V435 VanDerWaalsContact CD1-CG1 3.42Å; I415-V435 HydrophobicContact CG1-CG1 3.96Å; A427-V435 HydrophobicContact CB-CB 4.17Å; A427-V435 HydrophobicContact CB-CG1 3.72Å; A427-V435 HydrophobicContact CB-CG2 4.21Å; V432-V435 HydrophobicContact CG2-CG2 3.52Å; V435-K789 HydrophobicContact CG2-CD 4.48Å; V435-S790 PolarHBondContact N-O 2.99Å; V435-V791 HydrophobicContact CB-CG1 4.31Å; V435-V791 HydrophobicContact CB-CG2 4.2Å; V435-V791 HydrophobicContact CG1-CG1 4.49Å; V435-V791 CarbonylContact O-C 3.54Å; V435-V791 VanDerWaalsContact O-CA 3.31Å; V435-V791 WeakPolarHBondContact O-CA 3.45Å; V435-W792 PolarHBondContact O-N 2.93Å |
| 436 | W | 95.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 23 Ų | 23 | 8% | 0.076 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.2 | 172.6 | -59.4 | -76.1 | 0 | 0 | 0 | 109.4 | W302 A412 A413 S414 I415 S439 V442 | W302-W436 HydrophobicContact CH2-CE3 4.25Å; W302-W436 AromaticContact CH2-CZ3 3.86Å; W302-W436 HydrophobicContact CH2-CZ3 3.86Å; A412-W436 HydrophobicContact CB-CE3 4.18Å; A412-W436 HydrophobicContact CB-CH2 3.37Å; A412-W436 HydrophobicContact CB-CZ2 4.44Å; A412-W436 HydrophobicContact CB-CZ3 3.22Å; A413-W436 VanDerWaalsContact O-CE3 3.31Å; A413-W436 PolarHBondContact O-N 3.43Å; S414-W436 CarbonylContact C-O 3.53Å; S414-W436 WeakPolarHBondContact CA-O 3.48Å; I415-W436 PolarHBondContact N-O 2.79Å; W436-S439 WeakPolarHBondContact CB-O 3.37Å; W436-V442 VanDerWaalsContact NE1-N 3.19Å; W436-V442 PolarHBondContact NE1-O 3.26Å; W436-V442 VanDerWaalsContact NE1-O 3.14Å |
| 437 | V | 97 | Very high | 92.7 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.1 | 172.8 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | I415 A423 S439 V791 W792 I793 P794 | I415-V437 CarbonylContact O-C 3.38Å; I415-V437 WeakPolarHBondContact O-CA 3.01Å; A423-V437 HydrophobicContact CB-CG1 3.68Å; A423-V437 HydrophobicContact CB-CG2 3.97Å; V437-S439 PolarHBondContact O-N 3.4Å; V437-V791 HydrophobicContact CG2-CG1 4.19Å; V437-W792 PolarHBondContact N-O 2.91Å; V437-I793 HydrophobicContact CB-CG1 4.48Å; V437-I793 HydrophobicContact CG2-CG1 4.21Å; V437-P794 VanDerWaalsContact O-CD 3.24Å; V437-P794 WeakPolarHBondContact O-CD 3.27Å |
| 438 | N | 96 | Very high | 92.5 | Very high | 36 Ų | 36 | 23.3 Ų | 23.3 | 19% | 0.193 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 48.9 | 31.7 | -179.8 | -58.2 | -19.8 | 0 | 0 | 0 | 113.8 | I415 W416 T417 P794 | I415-N438 PolarHBondContact O-N 2.86Å; W416-N438 VanDerWaalsContact CA-OD1 3.27Å; W416-N438 WeakPolarHBondContact CA-OD1 3.44Å; W416-N438 HydrophobicContact CE3-CB 4.28Å; W416-N438 HydrophobicContact CZ3-CB 4.39Å; T417-N438 PolarHBondContact N-OD1 2.93Å; T417-N438 PolarHBondContact O-ND2 3.45Å; T417-N438 PolarHBondContact O-OD1 3.07Å; T417-N438 VanDerWaalsContact O-OD1 3.12Å; N438-P794 HydrophobicContact CB-CG 4.26Å |
| 439 | S | 93.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 18 Ų | 18 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | trans | -161.4 | -179 | 176.3 | 75 | 0 | 0 | 0 | 0 | 110.5 | S414 W436 V437 W792 | S414-S439 PolarHBondContact OG-O 3.27Å; W436-S439 WeakPolarHBondContact CB-O 3.37Å; V437-S439 PolarHBondContact O-N 3.4Å; S439-W792 WeakPolarHBondContact OG-CZ3 3.47Å | ||
| 440 | S | 89.9 | Confident | 92 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | trans | -147.2 | 158.5 | 172.7 | 92.7 | 0 | 0 | 0 | 0 | 111.3 | E289 I293 V442 | E289-S440 WeakPolarHBondContact OE1-CB 3.3Å; E289-S440 PolarHBondContact OE1-OG 3.01Å; I293-S440 WeakPolarHBondContact CG2-OG 3.43Å; S440-V442 PolarHBondContact O-N 2.94Å | ||
| 441 | S | 83.8 | Confident | 91.6 | Very high | 42 Ų | 42 | 15.6 Ų | 15.6 | 29% | 0.294 | 10% | 0.1 | S | C | . | . | trans | 52.3 | 27.9 | 165.9 | -59.7 | 0 | 0 | 0 | 0 | 115.4 | S443 | S441-S443 PolarHBondContact O-N 3.06Š| ||
| 442 | V | 86.6 | Confident | 91.4 | Very high | 20 Ų | 20 | 13.6 Ų | 13.6 | 12% | 0.121 | 9% | 0.085 | C | C | . | . | trans | -69.3 | 127.5 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | W436 S440 M635 W792 | W436-V442 VanDerWaalsContact NE1-N 3.19Å; W436-V442 PolarHBondContact NE1-O 3.26Å; W436-V442 VanDerWaalsContact NE1-O 3.14Å; S440-V442 PolarHBondContact O-N 2.94Å; V442-M635 HydrophobicContact CG1-CE 4.1Å; V442-W792 HydrophobicContact CB-CD2 4.46Å; V442-W792 HydrophobicContact CB-CG 4.37Å; V442-W792 HydrophobicContact CG1-CG 4.33Å; V442-W792 HydrophobicContact CG2-CD2 4.05Å; V442-W792 HydrophobicContact CG2-CE3 4.35Å; V442-W792 HydrophobicContact CG2-CG 4.47Å; V442-W792 HydrophobicContact CG2-CZ2 4.23Å | ||
| 443 | S | 84.8 | Confident | 91.2 | Very high | 65 Ų | 65 | 15.9 Ų | 15.9 | 46% | 0.455 | 10% | 0.095 | S | C | . | . | trans | -135 | 127.1 | -175.8 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | Y172 S441 | Y172-S443 WeakPolarHBondContact CE1-OG 3.35Å; Y172-S443 VanDerWaalsContact CZ-OG 3.32Å; Y172-S443 PolarHBondContact OH-OG 3.44Å; Y172-S443 VanDerWaalsContact OH-OG 3.04Å; S441-S443 PolarHBondContact O-N 3.06Å | ||
| 444 | D | 90.9 | Very high | 91 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 4% | 0.043 | 10% | 0.099 | C | C | . | . | trans | -146.3 | 143.7 | 169.7 | -174.5 | -76.2 | 0 | 0 | 0 | 107.7 | R136 C446 F447 M635 T636 | R136-D444 IonicContact CZ-OD1 3.84Å; R136-D444 IonicContact CZ-OD2 3.25Å; R136-D444 IonicContact NE-OD1 2.97Å; R136-D444 IonicContact NE-OD2 3.42Å; R136-D444 PolarHBondContact NE-OD2 2.79Å; R136-D444 IonicContact NH2-OD1 2.99Å; R136-D444 PolarHBondContact NH2-OD1 3Å; R136-D444 IonicContact NH2-OD2 2.91Å; R136-D444 PolarHBondContact NH2-OD2 3.49Å; D444-C446 PolarHBondContact O-N 3.27Å; D444-C446 VanDerWaalsContact O-N 3.11Å; D444-C446 WeakPolarHBondContact OD1-CB 3.34Å; D444-C446 PolarHBondContact OD1-N 2.97Å; D444-C446 PolarHBondContact OD1-SG 3.3Å; D444-F447 WeakPolarHBondContact O-CB 3.31Å; D444-F447 PolarHBondContact O-N 3.13Å; D444-M635 HydrophobicContact CB-CE 3.87Å; D444-M635 HydrophobicContact CB-SD 4.31Å; D444-T636 PolarHBondContact OD2-OG1 2.98Å | ||
| 445 | P | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.9 | 178.5 | 22.1 | -34.7 | 0 | 0 | 0 | 115.1 | R136 L137 Y140 Y141 F447 G461 G462 | R136-P445 HydrophobicContact CG-CG 3.95Å; L137-P445 HydrophobicContact CD2-CB 3.58Å; L137-P445 HydrophobicContact CD2-CG 3.93Å; Y140-P445 HydrophobicContact CD1-CB 3.51Å; Y140-P445 HydrophobicContact CD1-CG 4.02Å; Y140-P445 HydrophobicContact CD2-CG 4.36Å; Y140-P445 HydrophobicContact CE1-CB 4.01Å; Y140-P445 VanDerWaalsContact CE1-O 3.27Å; Y140-P445 WeakPolarHBondContact CE1-O 3.46Å; Y140-P445 HydrophobicContact CG-CB 3.8Å; Y140-P445 HydrophobicContact CG-CG 3.76Å; Y141-P445 HydrophobicContact CE2-CB 4.25Å; P445-F447 VanDerWaalsContact C-N 3.28Å; P445-G461 CarbonylContact O-C 3.59Å; P445-G461 WeakPolarHBondContact O-CA 3.49Å; P445-G462 PolarHBondContact O-N 3.11Å |
| 446 | C | 91.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.02 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.6 | 173.7 | 77 | 0 | 0 | 0 | 0 | 113.8 | Y140 D444 P448 G462 P633 P634 | Y140-C446 HydrophobicContact CD2-CB 4.26Å; Y140-C446 HydrophobicContact CE2-CB 3.48Å; Y140-C446 VanDerWaalsContact CE2-CB 3.48Å; Y140-C446 WeakPolarHBondContact OH-CA 3.35Å; D444-C446 PolarHBondContact O-N 3.27Å; D444-C446 VanDerWaalsContact O-N 3.11Å; D444-C446 WeakPolarHBondContact OD1-CB 3.34Å; D444-C446 PolarHBondContact OD1-N 2.97Å; D444-C446 PolarHBondContact OD1-SG 3.3Å; C446-P448 VanDerWaalsContact O-CD 3.3Å; C446-P448 WeakPolarHBondContact O-CD 3.11Å; C446-G462 WeakPolarHBondContact O-CA 3.32Å; C446-P633 HydrophobicContact CB-CB 4.29Å; C446-P633 WeakPolarHBondContact O-CB 3.4Å; C446-P634 PolarHBondContact SG-O 2.96Å |
| 447 | F | 89.1 | Confident | 90.4 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -88.5 | 109.5 | -179.2 | -166.2 | -100.8 | 0 | 0 | 0 | 109.6 | D444 P445 V449 M635 A641 S790 W792 | D444-F447 WeakPolarHBondContact O-CB 3.31Å; D444-F447 PolarHBondContact O-N 3.13Å; P445-F447 VanDerWaalsContact C-N 3.28Å; F447-V449 HydrophobicContact CD1-CG2 4.1Å; F447-M635 HydrophobicContact CB-SD 4.34Å; F447-M635 HydrophobicContact CD2-SD 4.19Å; F447-A641 HydrophobicContact CD2-CB 3.56Å; F447-A641 HydrophobicContact CE2-CB 3.66Å; F447-S790 VanDerWaalsContact CE2-CB 3.46Å; F447-W792 HydrophobicContact CE2-CB 4.08Å; F447-W792 HydrophobicContact CZ-CB 4.2Å |
| 448 | P | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -73.5 | 137.2 | -179.6 | 28.5 | -30.6 | 0 | 0 | 0 | 110.5 | C446 T459 D460 E464 S643 S790 | C446-P448 VanDerWaalsContact O-CD 3.3Å; C446-P448 WeakPolarHBondContact O-CD 3.11Å; P448-T459 HydrophobicContact CB-CG2 4.2Å; P448-D460 CarbonylContact C-O 3.56Å; P448-D460 VanDerWaalsContact CA-O 3.28Å; P448-D460 WeakPolarHBondContact CA-O 3.44Å; P448-E464 HydrophobicContact CB-CB 4.15Å; P448-S643 WeakPolarHBondContact CG-OG 3.3Å; P448-S790 WeakPolarHBondContact CD-OG 3.42Å; P448-S790 WeakPolarHBondContact CG-OG 3.4Å; P448-S790 WeakPolarHBondContact O-CB 3.47Å; P448-S790 PolarHBondContact O-OG 2.86Å | ||
| 449 | V | 88.1 | Confident | 89.8 | Confident | 36 Ų | 36 | 17 Ų | 17 | 22% | 0.218 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | F447 T459 D460 | F447-V449 HydrophobicContact CD1-CG2 4.1Å; V449-T459 WeakPolarHBondContact O-CA 3.41Å; V449-D460 PolarHBondContact N-O 3.43Å; V449-D460 PolarHBondContact O-N 3.02Å |
| 450 | S | 90.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 118.4 | 179.4 | -160.8 | 0 | 0 | 0 | 0 | 110.8 | G433 H452 G458 T459 W788 | G433-S450 WeakPolarHBondContact CA-O 3.39Å; S450-H452 PolarHBondContact O-N 2.88Å; S450-H452 PolarHBondContact O-ND1 3.39Å; S450-G458 PolarHBondContact OG-O 2.95Å; S450-T459 PolarHBondContact OG-OG1 2.91Å; S450-T459 VanDerWaalsContact OG-OG1 3.07Å; S450-W788 VanDerWaalsContact CB-O 3.22Å; S450-W788 WeakPolarHBondContact CB-O 3.38Å |
| 451 | G | 87.2 | Confident | 89.9 | Confident | 6 Ų | 6 | 16.5 Ų | 16.5 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | trans | -61 | 133.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G456 | G451-G456 VanDerWaalsContact O-O 3.09Š| ||
| 452 | H | 90.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 157.8 | 168.8 | -66.2 | 43 | 0 | 0 | 0 | 109.8 | G410 V432 G433 S450 D454 S455 E646 Q787 W788 | G410-H452 WeakPolarHBondContact CA-O 3.39Å; G410-H452 PolarHBondContact N-O 2.92Å; G410-H452 WeakPolarHBondContact O-CB 3.45Å; G410-H452 PolarHBondContact O-N 2.91Å; V432-H452 PolarHBondContact O-CE1 3.37Å; V432-H452 PolarHBondContact O-NE2 2.89Å; G433-H452 VanDerWaalsContact CA-CE1 3.49Å; G433-H452 WeakPolarHBondContact CA-CE1 3.37Å; G433-H452 WeakPolarHBondContact CA-ND1 3.21Å; G433-H452 PolarHBondContact N-ND1 2.87Å; S450-H452 PolarHBondContact O-N 2.88Å; S450-H452 PolarHBondContact O-ND1 3.39Å; H452-D454 PolarHBondContact O-N 3.27Å; H452-S455 VanDerWaalsContact O-CB 3.29Å; H452-S455 WeakPolarHBondContact O-CB 3.42Å; H452-S455 PolarHBondContact O-N 2.92Å; H452-E646 IonicContact NE2-OE2 3.93Å; H452-Q787 PolarHBondContact CD2-NE2 3.19Å; H452-Q787 PolarHBondContact NE2-NE2 3.29Å; H452-W788 PolarHBondContact CE1-O 3.16Å |
| 453 | K | 90.9 | Very high | 90.6 | Very high | 52 Ų | 52 | 16.1 Ų | 16.1 | 23% | 0.226 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.3 | -128 | 179.7 | -53.3 | 170.4 | 178.1 | 169.3 | 0 | 110.8 | N405 S407 P408 S455 | N405-K453 PolarHBondContact O-NZ 3.03Å; S407-K453 PolarHBondContact O-NZ 3.5Å; P408-K453 WeakPolarHBondContact O-CB 3.21Å; K453-S455 PolarHBondContact O-N 2.8Å |
| 454 | D | 90.1 | Very high | 91 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 9% | 0.086 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.6 | 179.5 | -72.5 | -21.5 | 0 | 0 | 0 | 113.8 | K246 P408 H452 G456 P749 L750 | K246-D454 HydrophobicContact CD-CB 4.2Å; K246-D454 IonicContact NZ-OD1 2.63Å; K246-D454 IonicContact NZ-OD2 2.97Å; K246-D454 PolarHBondContact NZ-OD2 3.08Å; P408-D454 WeakPolarHBondContact O-CB 3.46Å; P408-D454 PolarHBondContact O-N 3.21Å; H452-D454 PolarHBondContact O-N 3.27Å; D454-G456 VanDerWaalsContact C-N 3.3Å; D454-P749 WeakPolarHBondContact OD1-CA 3.37Å; D454-L750 PolarHBondContact OD1-N 3Å |
| 455 | S | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.9 | 175.5 | -69.9 | 0 | 0 | 0 | 0 | 114 | S267 H409 G410 H411 H452 K453 | S267-S455 WeakPolarHBondContact CA-O 3.43Å; S267-S455 WeakPolarHBondContact CB-O 3.27Å; S267-S455 PolarHBondContact N-O 2.85Å; H409-S455 WeakPolarHBondContact CB-OG 3.28Å; G410-S455 PolarHBondContact N-OG 3.43Å; H411-S455 PolarHBondContact N-OG 3.27Å; H411-S455 VanDerWaalsContact N-OG 3.16Å; H452-S455 VanDerWaalsContact O-CB 3.29Å; H452-S455 WeakPolarHBondContact O-CB 3.42Å; H452-S455 PolarHBondContact O-N 2.92Å; K453-S455 PolarHBondContact O-N 2.8Å |
| 456 | G | 91.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 5% | 0.052 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | 141.5 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V265 G451 D454 | V265-G456 CarbonylContact O-C 3.6Å; V265-G456 WeakPolarHBondContact O-CA 3.21Å; G451-G456 VanDerWaalsContact O-O 3.09Å; D454-G456 VanDerWaalsContact C-N 3.3Å |
| 457 | T | 90.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 15.4 Ų | 15.4 | 22% | 0.215 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -126.7 | -10.7 | 176 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | V265 L750 | V265-T457 PolarHBondContact N-OG1 3.48Å; V265-T457 PolarHBondContact O-N 3.03Å; T457-L750 HydrophobicContact CG2-CD2 3.9Å; T457-L750 HydrophobicContact CG2-CG 3.82Å |
| 458 | G | 88.1 | Confident | 91.8 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | trans | -88.2 | 154.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S264 V265 S450 | S264-G458 VanDerWaalsContact OG-CA 3.29Å; S264-G458 WeakPolarHBondContact OG-CA 3.36Å; V265-G458 PolarHBondContact O-N 2.99Å; V265-G458 VanDerWaalsContact O-N 3.11Å; S450-G458 PolarHBondContact OG-O 2.95Å | ||
| 459 | T | 92.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 15% | 0.153 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.7 | 167.5 | -54.9 | 0 | 0 | 0 | 0 | 108.5 | P448 V449 S450 E464 G465 Q468 W788 | P448-T459 HydrophobicContact CB-CG2 4.2Å; V449-T459 WeakPolarHBondContact O-CA 3.41Å; S450-T459 PolarHBondContact OG-OG1 2.91Å; S450-T459 VanDerWaalsContact OG-OG1 3.07Å; T459-E464 HydrophobicContact CG2-CB 4.1Å; T459-G465 WeakPolarHBondContact O-CA 3.4Å; T459-Q468 PolarHBondContact O-NE2 3.3Å; T459-W788 HydrophobicContact CG2-CB 4.29Å; T459-W788 HydrophobicContact CG2-CG 4.37Å |
| 460 | D | 93.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 15.5 Ų | 15.5 | 6% | 0.064 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 155.5 | 176.3 | -63.8 | -49.4 | 0 | 0 | 0 | 110.1 | L176 K177 S266 P448 V449 Q468 | L176-D460 HydrophobicContact CD2-CB 3.75Å; L176-D460 HydrophobicContact CG-CB 4.13Å; K177-D460 WeakPolarHBondContact CE-OD2 3.07Å; K177-D460 IonicContact NZ-OD1 3.26Å; K177-D460 PolarHBondContact NZ-OD1 3.46Å; K177-D460 IonicContact NZ-OD2 3.39Å; K177-D460 PolarHBondContact NZ-OD2 3.34Å; S266-D460 WeakPolarHBondContact CB-OD2 3.49Å; S266-D460 PolarHBondContact OG-OD2 2.7Å; P448-D460 CarbonylContact C-O 3.56Å; P448-D460 VanDerWaalsContact CA-O 3.28Å; P448-D460 WeakPolarHBondContact CA-O 3.44Å; V449-D460 PolarHBondContact N-O 3.43Å; V449-D460 PolarHBondContact O-N 3.02Å; D460-Q468 PolarHBondContact OD1-NE2 3.2Å |
| 461 | G | 92.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 70.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P445 G465 | P445-G461 CarbonylContact O-C 3.59Å; P445-G461 WeakPolarHBondContact O-CA 3.49Å; G461-G465 VanDerWaalsContact O-CA 3.31Å; G461-G465 WeakPolarHBondContact O-CA 3.36Å; G461-G465 PolarHBondContact O-N 3.36Å |
| 462 | G | 91.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -171.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y140 P445 C446 | Y140-G462 WeakPolarHBondContact OH-CA 3.36Å; P445-G462 PolarHBondContact O-N 3.11Å; C446-G462 WeakPolarHBondContact O-CA 3.32Å |
| 463 | Q | 93.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 20.7 Ų | 20.7 | 25% | 0.248 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -29.5 | 164.3 | -178.5 | -179.6 | -20.7 | 0 | 0 | 110.1 | W144 I152 L466 Y467 | W144-Q463 HydrophobicContact CH2-CB 3.55Å; W144-Q463 HydrophobicContact CH2-CG 3.43Å; W144-Q463 VanDerWaalsContact CH2-CG 3.43Å; W144-Q463 HydrophobicContact CZ2-CB 3.61Å; W144-Q463 HydrophobicContact CZ2-CG 4.03Å; W144-Q463 HydrophobicContact CZ3-CB 4.35Å; W144-Q463 HydrophobicContact CZ3-CG 3.83Å; I152-Q463 HydrophobicContact CD1-CG 4.39Å; Q463-L466 WeakPolarHBondContact O-CB 3.3Å; Q463-L466 WeakPolarHBondContact O-CG 3.39Å; Q463-L466 PolarHBondContact O-N 2.91Å; Q463-L466 VanDerWaalsContact O-N 3.09Å; Q463-Y467 HydrophobicContact CG-CE2 4.11Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.33Å |
| 464 | E | 93.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -65.2 | -44.9 | -170.7 | -67.5 | 59.3 | -140.3 | 0 | 0 | 110.3 | P448 T459 L466 Y467 W788 | P448-E464 HydrophobicContact CB-CB 4.15Å; T459-E464 HydrophobicContact CG2-CB 4.1Å; E464-L466 PolarHBondContact O-N 3.38Å; E464-Y467 PolarHBondContact O-N 2.99Å; E464-W788 HydrophobicContact CB-CD2 4.19Å; E464-W788 HydrophobicContact CB-CG 4.23Å; E464-W788 HydrophobicContact CB-CZ2 4.44Å; E464-W788 HydrophobicContact CG-CD2 3.53Å; E464-W788 HydrophobicContact CG-CE3 3.92Å; E464-W788 HydrophobicContact CG-CG 4.09Å; E464-W788 HydrophobicContact CG-CH2 3.78Å; E464-W788 HydrophobicContact CG-CZ2 3.41Å; E464-W788 VanDerWaalsContact CG-CZ2 3.41Å; E464-W788 HydrophobicContact CG-CZ3 4.02Å |
| 465 | G | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -71.4 | -8.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T459 G461 Q468 | T459-G465 WeakPolarHBondContact O-CA 3.4Å; G461-G465 VanDerWaalsContact O-CA 3.31Å; G461-G465 WeakPolarHBondContact O-CA 3.36Å; G461-G465 PolarHBondContact O-N 3.36Å; G465-Q468 WeakPolarHBondContact O-CG 3.33Å; G465-Q468 PolarHBondContact O-NE2 3.45Å |
| 466 | L | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -72.7 | -33 | 174.4 | -56.6 | 178.2 | 0 | 0 | 0 | 111.8 | Y141 W144 I152 P180 M184 Q463 E464 Q468 F469 | Y141-L466 HydrophobicContact CD1-CD2 3.96Å; Y141-L466 HydrophobicContact CE1-CD2 3.78Å; W144-L466 HydrophobicContact CB-CD1 4.04Å; W144-L466 HydrophobicContact CD2-CD1 3.46Å; W144-L466 VanDerWaalsContact CD2-CD1 3.46Å; W144-L466 HydrophobicContact CE3-CD1 3.55Å; W144-L466 HydrophobicContact CG-CD1 3.69Å; W144-L466 HydrophobicContact CZ3-CD1 4.21Å; I152-L466 HydrophobicContact CD1-CD1 4Å; P180-L466 HydrophobicContact CB-CD2 3.67Å; M184-L466 HydrophobicContact CE-CD1 4.05Å; M184-L466 HydrophobicContact CE-CD2 4.18Å; M184-L466 HydrophobicContact CG-CB 4.2Å; M184-L466 HydrophobicContact CG-CD2 4.34Å; M184-L466 HydrophobicContact SD-CB 3.98Å; M184-L466 HydrophobicContact SD-CD1 4.21Å; M184-L466 HydrophobicContact SD-CD2 4.4Å; M184-L466 HydrophobicContact SD-CG 4.44Å; Q463-L466 WeakPolarHBondContact O-CB 3.3Å; Q463-L466 WeakPolarHBondContact O-CG 3.39Å; Q463-L466 PolarHBondContact O-N 2.91Å; Q463-L466 VanDerWaalsContact O-N 3.09Å; E464-L466 PolarHBondContact O-N 3.38Å; L466-Q468 PolarHBondContact O-N 2.96Å; L466-F469 PolarHBondContact O-N 2.88Å |
| 467 | Y | 95.1 | Very high | 87.8 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -65.7 | -23.8 | -174.1 | -75.3 | -93.4 | 0 | 0 | 0 | 113.3 | I152 W155 Q463 E464 F469 L470 E779 R783 | I152-Y467 HydrophobicContact CD1-CE2 4.4Å; I152-Y467 HydrophobicContact CG2-CE1 3.68Å; W155-Y467 AromaticContact CD2-CD1 3.86Å; W155-Y467 HydrophobicContact CD2-CD1 3.86Å; W155-Y467 AromaticContact CD2-CE1 3.87Å; W155-Y467 HydrophobicContact CD2-CE1 3.87Å; W155-Y467 AromaticContact CE2-CD1 3.71Å; W155-Y467 AromaticContact CE2-CE1 3.48Å; W155-Y467 VanDerWaalsContact CE2-CE1 3.48Å; W155-Y467 AromaticContact CE3-CD1 3.94Å; W155-Y467 HydrophobicContact CE3-CD1 3.94Å; W155-Y467 HydrophobicContact CE3-CE1 4.42Å; W155-Y467 HydrophobicContact CG-CE1 4.26Å; W155-Y467 AromaticContact CH2-CD1 3.74Å; W155-Y467 HydrophobicContact CH2-CD1 3.74Å; W155-Y467 HydrophobicContact CH2-CE1 4.29Å; W155-Y467 AromaticContact CZ2-CD1 3.66Å; W155-Y467 HydrophobicContact CZ2-CD1 3.66Å; W155-Y467 AromaticContact CZ2-CE1 3.73Å; W155-Y467 HydrophobicContact CZ2-CE1 3.73Å; W155-Y467 AromaticContact CZ3-CD1 3.87Å; W155-Y467 HydrophobicContact CZ3-CD1 3.87Å; W155-Y467 AromaticContact NE1-CE1 3.61Å; Q463-Y467 HydrophobicContact CG-CE2 4.11Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.33Å; E464-Y467 PolarHBondContact O-N 2.99Å; Y467-F469 PolarHBondContact O-N 3.28Å; Y467-L470 PolarHBondContact O-N 3.45Å; Y467-L470 VanDerWaalsContact O-N 3.09Å; Y467-L470 VanDerWaalsContact O-O 3.05Å; Y467-E779 VanDerWaalsContact CE1-OE1 3.23Å; Y467-E779 WeakPolarHBondContact CE1-OE1 3.42Å; Y467-E779 PolarHBondContact OH-OE1 3.27Å; Y467-R783 PolarHBondContact OH-NH2 3.32Å; Y467-R783 VanDerWaalsContact OH-NH2 3.14Å |
| 468 | Q | 94.8 | Very high | 86.3 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 17% | 0.173 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -62.9 | -24.5 | 173.5 | 80.3 | -173.7 | -57 | 0 | 0 | 112.2 | L239 S264 T459 D460 G465 L466 | L239-Q468 WeakPolarHBondContact CD2-O 3.38Å; S264-Q468 PolarHBondContact OG-OE1 3.35Å; T459-Q468 PolarHBondContact O-NE2 3.3Å; D460-Q468 PolarHBondContact OD1-NE2 3.2Å; G465-Q468 WeakPolarHBondContact O-CG 3.33Å; G465-Q468 PolarHBondContact O-NE2 3.45Å; L466-Q468 PolarHBondContact O-N 2.96Å |
| 469 | F | 97 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -98.7 | 9.8 | 179.2 | -53.7 | -66.9 | 0 | 0 | 0 | 113.1 | V158 V161 K177 P180 A181 M184 N186 L239 A241 L466 Y467 | V158-F469 PolarHBondContact N-O 3.29Å; V161-F469 HydrophobicContact CG1-CD1 4.23Å; V161-F469 HydrophobicContact CG1-CE1 4.09Å; V161-F469 HydrophobicContact CG2-CD1 4.23Å; K177-F469 HydrophobicContact CB-CZ 4.36Å; K177-F469 WeakPolarHBondContact O-CZ 3.5Å; P180-F469 HydrophobicContact CB-CD2 3.93Å; P180-F469 HydrophobicContact CB-CE2 3.74Å; P180-F469 HydrophobicContact CG-CD2 4.26Å; P180-F469 HydrophobicContact CG-CE2 3.57Å; P180-F469 HydrophobicContact CG-CZ 4.24Å; A181-F469 HydrophobicContact CB-CD1 3.59Å; A181-F469 HydrophobicContact CB-CD2 4.5Å; A181-F469 HydrophobicContact CB-CE1 3.73Å; A181-F469 HydrophobicContact CB-CG 4Å; A181-F469 HydrophobicContact CB-CZ 4.25Å; M184-F469 HydrophobicContact CB-CB 4.17Å; M184-F469 HydrophobicContact CG-CB 4.3Å; N186-F469 PolarHBondContact ND2-O 2.98Å; L239-F469 HydrophobicContact CD2-CD1 3.74Å; L239-F469 HydrophobicContact CD2-CE1 4Å; A241-F469 HydrophobicContact CB-CE1 4.28Å; L466-F469 PolarHBondContact O-N 2.88Å; Y467-F469 PolarHBondContact O-N 3.28Å |
| 470 | L | 95.1 | Very high | 84.3 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159.1 | 179.2 | -63 | 173.1 | 0 | 0 | 0 | 110.4 | I152 W155 T156 V158 M184 Y467 | I152-L470 HydrophobicContact CD1-CD1 4.25Å; I152-L470 HydrophobicContact CG2-CD1 3.86Å; W155-L470 HydrophobicContact CB-CB 4.25Å; W155-L470 HydrophobicContact CB-CD1 4.11Å; W155-L470 HydrophobicContact CD2-CB 4.48Å; W155-L470 HydrophobicContact CE3-CB 3.73Å; W155-L470 HydrophobicContact CZ3-CB 4.48Å; T156-L470 CarbonylContact O-C 3.46Å; T156-L470 VanDerWaalsContact O-CA 3.28Å; T156-L470 WeakPolarHBondContact O-CA 3.41Å; V158-L470 WeakPolarHBondContact CG1-O 3.49Å; M184-L470 HydrophobicContact CB-CD2 3.87Å; M184-L470 HydrophobicContact CB-CG 4.34Å; M184-L470 HydrophobicContact CG-CD1 4.49Å; M184-L470 HydrophobicContact CG-CD2 4.16Å; M184-L470 HydrophobicContact CG-CG 4.18Å; M184-L470 HydrophobicContact SD-CD1 3.9Å; M184-L470 HydrophobicContact SD-CD2 4.12Å; M184-L470 HydrophobicContact SD-CG 4.18Å; Y467-L470 PolarHBondContact O-N 3.45Å; Y467-L470 VanDerWaalsContact O-N 3.09Å; Y467-L470 VanDerWaalsContact O-O 3.05Å |
| 471 | R | 91.8 | Very high | 83.3 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.6 | 169.2 | 64.6 | -172 | -176.1 | 87.1 | 9 | 109.9 | W155 T156 V158 S473 S475 | W155-R471 WeakPolarHBondContact CA-O 3.16Å; W155-R471 VanDerWaalsContact CE3-C 3.44Å; T156-R471 PolarHBondContact N-O 3.36Å; T156-R471 PolarHBondContact O-N 2.85Å; T156-R471 PolarHBondContact OG1-O 3.18Å; V158-R471 HydrophobicContact CG1-CB 4.28Å; R471-S473 PolarHBondContact O-N 3.2Å; R471-S475 PolarHBondContact NH1-O 3.08Å; R471-S475 PolarHBondContact NH1-OG 3.46Å |
| 472 | P | 90.1 | Very high | 82.4 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.071 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 134.5 | 175.7 | -25.6 | 35.5 | 0 | 0 | 0 | 111.9 | W155 F474 S475 D780 | W155-P472 HydrophobicContact CE3-CG 4.29Å; W155-P472 HydrophobicContact CH2-CG 3.99Å; W155-P472 HydrophobicContact CZ2-CG 4.46Å; W155-P472 HydrophobicContact CZ3-CG 3.9Å; P472-F474 HydrophobicContact CB-CD1 3.65Å; P472-F474 HydrophobicContact CB-CE1 3.12Å; P472-F474 HydrophobicContact CB-CZ 3.64Å; P472-F474 HydrophobicContact CG-CE1 3.99Å; P472-F474 HydrophobicContact CG-CZ 4.17Å; P472-F474 PolarHBondContact O-N 3.01Å; P472-S475 WeakPolarHBondContact O-CB 3.21Å; P472-S475 PolarHBondContact O-N 3.13Å; P472-S475 PolarHBondContact O-OG 3.1Å; P472-D780 HydrophobicContact CG-CB 3.93Å |
| 473 | S | 85 | Confident | 81.8 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.9 | -173 | -58.1 | 0 | 0 | 0 | 0 | 114.6 | G154 W155 T156 R471 S475 | G154-S473 PolarHBondContact O-N 3.49Å; G154-S473 PolarHBondContact O-OG 3.42Å; G154-S473 VanDerWaalsContact O-OG 3.09Å; W155-S473 PolarHBondContact N-OG 3.38Å; T156-S473 WeakPolarHBondContact CG2-OG 3.24Å; R471-S473 PolarHBondContact O-N 3.2Å; S473-S475 VanDerWaalsContact C-N 3.25Å; S473-S475 PolarHBondContact O-N 2.95Å |
| 474 | F | 76.3 | Confident | 81.4 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.5 | 177.1 | 69.6 | -96.2 | 0 | 0 | 0 | 112.4 | P472 P768 H774 L777 | P472-F474 HydrophobicContact CB-CD1 3.65Å; P472-F474 HydrophobicContact CB-CE1 3.12Å; P472-F474 HydrophobicContact CB-CZ 3.64Å; P472-F474 HydrophobicContact CG-CE1 3.99Å; P472-F474 HydrophobicContact CG-CZ 4.17Å; P472-F474 PolarHBondContact O-N 3.01Å; F474-P768 HydrophobicContact CE2-CB 3.92Å; F474-H774 HydrophobicContact CD1-CB 3.52Å; F474-H774 AromaticContact CD1-CD2 3.79Å; F474-H774 AromaticContact CD1-CG 3.66Å; F474-H774 AromaticContact CD2-CD2 3.92Å; F474-H774 HydrophobicContact CE1-CB 3.84Å; F474-H774 HydrophobicContact CG-CB 4.16Å; F474-H774 AromaticContact CG-CD2 3.48Å; F474-H774 VanDerWaalsContact CG-CD2 3.48Å; F474-H774 WeakPolarHBondContact CG-CD2 3.36Å; F474-H774 AromaticContact CG-CG 3.8Å; F474-L777 HydrophobicContact CE1-CB 3.54Å; F474-L777 HydrophobicContact CZ-CB 3.55Å; F474-L777 HydrophobicContact CZ-CD1 3.78Å; F474-L777 HydrophobicContact CZ-CD2 4.49Å; F474-L777 HydrophobicContact CZ-CG 4.1Å |
| 475 | S | 67.7 | Low | 81 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | trans | -69.9 | 134.8 | 175.2 | 69.3 | 0 | 0 | 0 | 0 | 108.3 | R471 P472 S473 | R471-S475 PolarHBondContact NH1-O 3.08Å; R471-S475 PolarHBondContact NH1-OG 3.46Å; P472-S475 WeakPolarHBondContact O-CB 3.21Å; P472-S475 PolarHBondContact O-N 3.13Å; P472-S475 PolarHBondContact O-OG 3.1Å; S473-S475 VanDerWaalsContact C-N 3.25Å; S473-S475 PolarHBondContact O-N 2.95Å | ||
| 476 | S | 61.5 | Low | 80.7 | Confident | 93 Ų | 93 | 51.8 Ų | 51.8 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | trans | -91 | 144 | 162.7 | -74.6 | 0 | 0 | 0 | 0 | 108.7 | L478 | S476-L478 PolarHBondContact O-N 3.12Š| ||
| 477 | P | 61.7 | Low | 80.4 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | trans | -63.8 | 112.9 | 171.5 | -2.8 | 14.9 | 0 | 0 | 0 | 108.4 | ||||
| 478 | L | 60.6 | Low | 80.2 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 156.6 | -179.9 | -69.4 | 149.4 | 0 | 0 | 0 | 111.2 | S476 R480 A766 | S476-L478 PolarHBondContact O-N 3.12Å; L478-R480 PolarHBondContact O-N 2.87Å; L478-A766 VanDerWaalsContact CD1-CA 3.47Å; L478-A766 HydrophobicContact CD1-CB 3.13Å; L478-A766 HydrophobicContact CD2-CB 4.43Å; L478-A766 HydrophobicContact CG-CB 4.36Å |
| 479 | P | 64.7 | Low | 80 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 132.5 | 164.1 | -20.2 | 32.1 | 0 | 0 | 0 | 109.3 | W757 | P479-W757 WeakPolarHBondContact O-CZ2 3.4Å; P479-W757 PolarHBondContact O-NE1 3.39Å |
| 480 | R | 73.8 | Confident | 79.8 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 22% | 0.219 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 140.7 | 174.7 | -63.8 | -173.8 | -54.1 | 148.6 | 10.5 | 109 | S232 R233 N234 M259 V261 L478 | S232-R480 PolarHBondContact O-NH1 3.25Å; R233-R480 PolarHBondContact O-NH2 3Å; N234-R480 PolarHBondContact O-NH1 3.18Å; N234-R480 PolarHBondContact O-NH2 3.21Å; M259-R480 WeakPolarHBondContact O-CD 3.28Å; M259-R480 PolarHBondContact O-NH1 3.26Å; V261-R480 VanDerWaalsContact CG2-NH1 3.26Å; L478-R480 PolarHBondContact O-N 2.87Å |
| 481 | P | 73 | Confident | 79.7 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 142.7 | 167.5 | 28.1 | -34 | 0 | 0 | 0 | 109.3 | A736 W757 | P481-A736 HydrophobicContact CB-CB 3.7Å; P481-W757 HydrophobicContact CG-CG 4.39Å |
| 482 | S | 73.6 | Confident | 79.6 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 66% | 0.664 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 140.3 | 167.1 | -64.3 | 0 | 0 | 0 | 0 | 109 | V484 | S482-V484 PolarHBondContact O-N 3.07Š|
| 483 | P | 78.9 | Confident | 79.5 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 133.1 | 173 | -23.7 | 32.4 | 0 | 0 | 0 | 110.7 | G258 M259 | G258-P483 WeakPolarHBondContact O-CA 3.35Å; M259-P483 HydrophobicContact CG-CG 4.19Å |
| 484 | V | 83.4 | Confident | 79.2 | Confident | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.339 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 143.8 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | S482 L486 Q737 Q740 | S482-V484 PolarHBondContact O-N 3.07Å; V484-L486 PolarHBondContact O-N 3.2Å; V484-L486 VanDerWaalsContact O-N 3.08Å; V484-Q737 HydrophobicContact CB-CG 4.4Å; V484-Q737 HydrophobicContact CG1-CG 4.36Å; V484-Q737 HydrophobicContact CG2-CG 4.45Å; V484-Q740 PolarHBondContact O-NE2 2.81Å; V484-Q740 PolarHBondContact O-OE1 3.46Å |
| 485 | S | 86.3 | Confident | 78.8 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 89% | 0.888 | 45% | 0.449 | S | S | * | . | trans | -65.5 | 110.4 | 168.9 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 486 | L | 87.9 | Confident | 78.7 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | trans | -129.4 | 123.3 | -174.5 | -173.9 | 67.8 | 0 | 0 | 0 | 110.1 | V484 Y488 F491 Q740 | V484-L486 PolarHBondContact O-N 3.2Å; V484-L486 VanDerWaalsContact O-N 3.08Å; L486-Y488 HydrophobicContact CD2-CD1 4.02Å; L486-Y488 HydrophobicContact CD2-CE1 4.01Å; L486-Y488 PolarHBondContact O-N 3.39Å; L486-F491 HydrophobicContact CD1-CB 4.35Å; L486-F491 HydrophobicContact CD1-CD2 4.04Å; L486-F491 HydrophobicContact CD2-CD2 4.33Å; L486-Q740 HydrophobicContact CD2-CG 4.46Å | ||
| 487 | E | 91.1 | Very high | 78.6 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | trans | -84.3 | 96.7 | 168.7 | -164.3 | -178.2 | 160.2 | 0 | 0 | 108.7 | S489 K490 F491 | E487-S489 PolarHBondContact O-N 3.22Å; E487-K490 HydrophobicContact CB-CB 4.49Å; E487-K490 VanDerWaalsContact CD-CE 3.42Å; E487-K490 HydrophobicContact CG-CD 4.44Å; E487-K490 HydrophobicContact CG-CG 4.35Å; E487-K490 PolarHBondContact O-N 3.49Å; E487-K490 WeakPolarHBondContact OE1-CE 3.43Å; E487-K490 IonicContact OE1-NZ 3.34Å; E487-K490 PolarHBondContact OE1-NZ 3.12Å; E487-K490 VanDerWaalsContact OE2-CD 3.25Å; E487-K490 WeakPolarHBondContact OE2-CD 3.47Å; E487-K490 WeakPolarHBondContact OE2-CE 3.22Å; E487-K490 IonicContact OE2-NZ 2.71Å; E487-K490 PolarHBondContact OE2-NZ 3.48Å; E487-F491 PolarHBondContact O-N 3.14Å | ||
| 488 | Y | 91.3 | Very high | 78.6 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.4 | -171.3 | -63.9 | -79.1 | 0 | 0 | 0 | 114.3 | L486 K490 Q740 Y741 H744 | L486-Y488 HydrophobicContact CD2-CD1 4.02Å; L486-Y488 HydrophobicContact CD2-CE1 4.01Å; L486-Y488 PolarHBondContact O-N 3.39Å; Y488-K490 VanDerWaalsContact C-N 3.31Å; Y488-K490 PolarHBondContact O-N 2.81Å; Y488-Q740 HydrophobicContact CE1-CG 4.21Å; Y488-Q740 PolarHBondContact OH-NE2 2.94Å; Y488-Y741 HydrophobicContact CD1-CD2 4.03Å; Y488-Y741 WeakPolarHBondContact O-CE2 3.19Å; Y488-H744 HydrophobicContact CD1-CB 3.96Å; Y488-H744 AromaticContact CD1-CG 3.82Å; Y488-H744 AromaticContact CD1-ND1 3.64Å; Y488-H744 AromaticContact CD2-CE1 3.77Å; Y488-H744 AromaticContact CD2-ND1 3.88Å; Y488-H744 HydrophobicContact CE1-CB 3.37Å; Y488-H744 AromaticContact CE1-CG 3.48Å; Y488-H744 VanDerWaalsContact CE1-CG 3.48Å; Y488-H744 AromaticContact CE1-ND1 3.81Å; Y488-H744 AromaticContact CE2-CD2 3.72Å; Y488-H744 AromaticContact CE2-CE1 3.99Å; Y488-H744 AromaticContact CE2-CG 3.87Å; Y488-H744 AromaticContact CE2-NE2 3.84Å; Y488-H744 AromaticContact CG-CE1 3.97Å; Y488-H744 AromaticContact CG-ND1 3.69Å; Y488-H744 AromaticContact CZ-CD2 3.63Å; Y488-H744 AromaticContact CZ-CG 3.51Å |
| 489 | S | 90.5 | Very high | 78.6 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21.5 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | E487 | E487-S489 PolarHBondContact O-N 3.22Š|
| 490 | K | 92.6 | Very high | 78.3 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -8.9 | -179.2 | -64.4 | -174 | -175.4 | 153.1 | 0 | 113.7 | E487 Y488 G492 T493 | E487-K490 HydrophobicContact CB-CB 4.49Å; E487-K490 VanDerWaalsContact CD-CE 3.42Å; E487-K490 HydrophobicContact CG-CD 4.44Å; E487-K490 HydrophobicContact CG-CG 4.35Å; E487-K490 PolarHBondContact O-N 3.49Å; E487-K490 WeakPolarHBondContact OE1-CE 3.43Å; E487-K490 IonicContact OE1-NZ 3.34Å; E487-K490 PolarHBondContact OE1-NZ 3.12Å; E487-K490 VanDerWaalsContact OE2-CD 3.25Å; E487-K490 WeakPolarHBondContact OE2-CD 3.47Å; E487-K490 WeakPolarHBondContact OE2-CE 3.22Å; E487-K490 IonicContact OE2-NZ 2.71Å; E487-K490 PolarHBondContact OE2-NZ 3.48Å; Y488-K490 VanDerWaalsContact C-N 3.31Å; Y488-K490 PolarHBondContact O-N 2.81Å; K490-G492 PolarHBondContact O-N 3.07Å; K490-T493 PolarHBondContact O-N 3.45Å; K490-T493 VanDerWaalsContact O-N 3.1Å; K490-T493 PolarHBondContact O-OG1 3.29Å |
| 491 | F | 93.1 | Very high | 77.5 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 5% | 0.053 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.1 | 174.9 | -179.8 | -102.2 | 0 | 0 | 0 | 109.9 | L486 E487 T493 D715 T718 V719 Q737 Y741 | L486-F491 HydrophobicContact CD1-CB 4.35Å; L486-F491 HydrophobicContact CD1-CD2 4.04Å; L486-F491 HydrophobicContact CD2-CD2 4.33Å; E487-F491 PolarHBondContact O-N 3.14Å; F491-T493 PolarHBondContact O-N 2.92Å; F491-D715 HydrophobicContact CE1-CB 4.01Å; F491-D715 HydrophobicContact CE2-CB 4.04Å; F491-D715 HydrophobicContact CZ-CB 3.6Å; F491-D715 VanDerWaalsContact CZ-CG 3.47Å; F491-T718 HydrophobicContact CE1-CG2 4.29Å; F491-V719 HydrophobicContact CD1-CG2 3.57Å; F491-V719 HydrophobicContact CE1-CG2 4.05Å; F491-V719 VanDerWaalsContact O-CG2 3.28Å; F491-V719 WeakPolarHBondContact O-CG2 3.48Å; F491-Q737 HydrophobicContact CE2-CB 4.05Å; F491-Y741 HydrophobicContact CB-CD2 3.64Å; F491-Y741 HydrophobicContact CB-CE2 3.98Å; F491-Y741 HydrophobicContact CB-CG 4.38Å; F491-Y741 AromaticContact CD1-CD1 3.67Å; F491-Y741 HydrophobicContact CD1-CD1 3.67Å; F491-Y741 AromaticContact CD1-CD2 3.37Å; F491-Y741 HydrophobicContact CD1-CD2 3.37Å; F491-Y741 HydrophobicContact CD1-CE1 4.09Å; F491-Y741 AromaticContact CD1-CE2 3.82Å; F491-Y741 HydrophobicContact CD1-CE2 3.82Å; F491-Y741 AromaticContact CD1-CG 3.3Å; F491-Y741 HydrophobicContact CD1-CG 3.3Å; F491-Y741 AromaticContact CE1-CD1 3.82Å; F491-Y741 HydrophobicContact CE1-CD1 3.82Å; F491-Y741 HydrophobicContact CE1-CD2 4.26Å; F491-Y741 HydrophobicContact CE1-CE1 4.44Å; F491-Y741 AromaticContact CE1-CG 3.72Å; F491-Y741 HydrophobicContact CE1-CG 3.72Å; F491-Y741 AromaticContact CG-CD2 3.69Å; F491-Y741 HydrophobicContact CG-CD2 3.69Å; F491-Y741 HydrophobicContact CG-CE2 4.29Å; F491-Y741 AromaticContact CG-CG 3.92Å; F491-Y741 HydrophobicContact CG-CG 3.92Å |
| 492 | G | 89.7 | Confident | 76.5 | Confident | 15 Ų | 15 | 90 Ų | 90 | 16% | 0.155 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 21.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K490 Q716 | K490-G492 PolarHBondContact O-N 3.07Å; G492-Q716 WeakPolarHBondContact O-CG 3.39Å |
| 493 | T | 87.9 | Confident | 75.5 | Confident | 95 Ų | 95 | 89 Ų | 89 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | trans | -99.5 | -2.3 | 170.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | K490 F491 A495 | K490-T493 PolarHBondContact O-N 3.45Å; K490-T493 VanDerWaalsContact O-N 3.1Å; K490-T493 PolarHBondContact O-OG1 3.29Å; F491-T493 PolarHBondContact O-N 2.92Å; T493-A495 PolarHBondContact O-N 3.13Å | ||
| 494 | E | 78 | Confident | 74.2 | Confident | 153 Ų | 153 | 91.2 Ų | 91.2 | 72% | 0.715 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -62 | 135.6 | 178.7 | -65.3 | -172.7 | 172.9 | 0 | 0 | 110.7 | Q716 | E494-Q716 PolarHBondContact O-NE2 3.1Š|
| 495 | A | 68.6 | Low | 72.6 | Confident | 89 Ų | 89 | 94.3 Ų | 94.3 | 74% | 0.736 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 140.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | T493 Q497 | T493-A495 PolarHBondContact O-N 3.13Å; A495-Q497 PolarHBondContact O-N 3.42Å |
| 496 | A | 63.6 | Low | 70.8 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 35% | 0.347 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 130.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V498 | A496-V498 PolarHBondContact O-N 3.03Š|
| 497 | Q | 61 | Low | 69.2 | Low | 176 Ų | 176 | 95.5 Ų | 95.5 | 82% | 0.822 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 126.4 | 173.7 | -72.7 | -173.6 | -15.1 | 0 | 0 | 109 | A495 V499 | A495-Q497 PolarHBondContact O-N 3.42Å; Q497-V499 PolarHBondContact O-N 3.42Å |
| 498 | V | 60.1 | Low | 67.6 | Low | 128 Ų | 128 | 95.2 Ų | 95.2 | 78% | 0.776 | 58% | 0.581 | S | S | * | * | trans | -74.7 | 107.8 | 174 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | A496 I500 | A496-V498 PolarHBondContact O-N 3.03Å; V498-I500 HydrophobicContact CG1-CG1 4.13Å; V498-I500 PolarHBondContact O-N 3.05Å | ||
| 499 | V | 61.6 | Low | 66.7 | Low | 56 Ų | 56 | 100 Ų | 100 | 34% | 0.339 | 61% | 0.609 | S | S | . | * | trans | -81.6 | 111.8 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 108 | Q497 Q533 | Q497-V499 PolarHBondContact O-N 3.42Å; V499-Q533 VanDerWaalsContact CG1-NE2 3.35Å | ||
| 500 | I | 58.9 | Low | 66.1 | Low | 137 Ų | 137 | 97.7 Ų | 97.7 | 70% | 0.703 | 59% | 0.591 | S | S | * | * | trans | -97.3 | 114.2 | 169.5 | -57.4 | 169.1 | 0 | 0 | 0 | 106.5 | V498 | V498-I500 HydrophobicContact CG1-CG1 4.13Å; V498-I500 PolarHBondContact O-N 3.05Å | ||
| 501 | P | 56.8 | Low | 65.7 | Low | 53 Ų | 53 | 97.4 Ų | 97.4 | 34% | 0.344 | 59% | 0.592 | S | S | . | * | trans | -69.2 | 134.2 | -179 | 23.8 | -29.8 | 0 | 0 | 0 | 111.7 | S503 V540 | P501-S503 VanDerWaalsContact C-N 3.32Å; P501-S503 PolarHBondContact O-N 3.46Å; P501-V540 HydrophobicContact CB-CG2 3.83Å; P501-V540 HydrophobicContact CG-CG2 4.18Å | ||
| 502 | D | 51.5 | Low | 65.4 | Low | 165 Ų | 165 | 101 Ų | 101 | 88% | 0.882 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -75.7 | -16.6 | -179.1 | -77.5 | -29.4 | 0 | 0 | 0 | 113.5 | ||
| 503 | S | 53.1 | Low | 65.5 | Low | 74 Ų | 74 | 102.6 Ų | 102.6 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | trans | -151.2 | 127.6 | 172.7 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | P501 | P501-S503 VanDerWaalsContact C-N 3.32Å; P501-S503 PolarHBondContact O-N 3.46Å | ||
| 504 | T | 51.2 | Low | 65.8 | Low | 128 Ų | 128 | 100.4 Ų | 100.4 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | trans | -90.4 | 101.1 | 163.8 | 48.9 | 0 | 0 | 0 | 0 | 107.5 | G506 | T504-G506 PolarHBondContact O-N 3.14Š| ||
| 505 | D | 49 | Very low | 66.6 | Low | 121 Ų | 121 | 93.1 Ų | 93.1 | 65% | 0.647 | 57% | 0.574 | S | S | * | * | trans | -62.3 | 120.8 | 168.9 | -125.5 | -10.8 | 0 | 0 | 0 | 108.4 | A507 | D505-A507 PolarHBondContact O-N 3.15Š| ||
| 506 | G | 50 | Low | 68 | Low | 86 Ų | 86 | 89.4 Ų | 89.4 | 89% | 0.887 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 8.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | T504 | T504-G506 PolarHBondContact O-N 3.14Š|
| 507 | A | 52.7 | Low | 69.6 | Low | 97 Ų | 97 | 88.4 Ų | 88.4 | 80% | 0.802 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -17 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D505 | D505-A507 PolarHBondContact O-N 3.15Š|
| 508 | S | 59 | Low | 71.2 | Confident | 99 Ų | 99 | 80.8 Ų | 80.8 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | trans | -151.8 | 123.7 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 509 | I | 71.6 | Confident | 72.8 | Confident | 164 Ų | 164 | 75.9 Ų | 75.9 | 84% | 0.841 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 126 | 174.6 | -60.8 | 168.4 | 0 | 0 | 0 | 108.7 | Q511 | I509-Q511 PolarHBondContact O-N 3.25Š|
| 510 | P | 77.6 | Confident | 74.3 | Confident | 43 Ų | 43 | 80.5 Ų | 80.5 | 28% | 0.279 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 129.1 | 178.6 | -23.7 | 32.4 | 0 | 0 | 0 | 111.9 | V540 F543 | P510-V540 HydrophobicContact CB-CG1 4.09Å; P510-V540 HydrophobicContact CG-CB 4.43Å; P510-V540 HydrophobicContact CG-CG1 4.18Å; P510-F543 HydrophobicContact CB-CD2 3.98Å; P510-F543 HydrophobicContact CB-CE2 3.73Å; P510-F543 HydrophobicContact CG-CE2 4.18Å |
| 511 | Q | 84.8 | Confident | 76 | Confident | 112 Ų | 112 | 76 Ų | 76 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138.4 | -178.1 | -175.6 | 175.8 | -14.1 | 0 | 0 | 111 | I509 Y513 A542 F543 | I509-Q511 PolarHBondContact O-N 3.25Å; Q511-Y513 HydrophobicContact CB-CE2 4.07Å; Q511-Y513 HydrophobicContact CG-CD2 4.37Å; Q511-Y513 HydrophobicContact CG-CE2 3.99Å; Q511-A542 CarbonylContact O-C 3.49Å; Q511-A542 WeakPolarHBondContact O-CA 3.12Å; Q511-A542 VanDerWaalsContact O-CB 3.24Å; Q511-A542 WeakPolarHBondContact O-CB 3.4Å; Q511-F543 PolarHBondContact O-N 3.07Å |
| 512 | S | 87 | Confident | 77.8 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.9 | 169.4 | -60.6 | 0 | 0 | 0 | 0 | 111 | F543 | S512-F543 WeakPolarHBondContact CA-O 3.42Å |
| 513 | Y | 91.8 | Very high | 79.8 | Confident | 47 Ų | 47 | 76 Ų | 76 | 18% | 0.184 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 145 | 174.9 | -75.4 | -99.3 | 0 | 0 | 0 | 111 | Q511 A542 F543 P545 L688 L691 | Q511-Y513 HydrophobicContact CB-CE2 4.07Å; Q511-Y513 HydrophobicContact CG-CD2 4.37Å; Q511-Y513 HydrophobicContact CG-CE2 3.99Å; Y513-A542 HydrophobicContact CD2-CB 3.76Å; Y513-A542 HydrophobicContact CE2-CB 3.73Å; Y513-F543 PolarHBondContact N-O 3.48Å; Y513-P545 VanDerWaalsContact O-CD 3.22Å; Y513-P545 WeakPolarHBondContact O-CD 3.42Å; Y513-L688 HydrophobicContact CD2-CD2 4Å; Y513-L688 HydrophobicContact CE2-CD2 4.01Å; Y513-L691 HydrophobicContact CD1-CB 3.72Å; Y513-L691 HydrophobicContact CD1-CD1 4.46Å; Y513-L691 HydrophobicContact CE1-CB 4.46Å; Y513-L691 HydrophobicContact CG-CB 4.17Å; Y513-L691 HydrophobicContact CG-CD1 4.05Å |
| 514 | P | 93.3 | Very high | 81.8 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 153.3 | 168.5 | 34 | -32 | 0 | 0 | 0 | 111.7 | A521 C522 L691 | P514-A521 HydrophobicContact CB-CB 3.82Å; P514-A521 HydrophobicContact CG-CB 3.63Å; P514-C522 CarbonylContact C-O 3.56Å; P514-C522 WeakPolarHBondContact CA-O 3.23Å; P514-C522 WeakPolarHBondContact CB-O 3.4Å; P514-L691 WeakPolarHBondContact O-CD2 3.49Å |
| 515 | Q | 95.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 173.1 | 165.3 | 66.4 | 178.5 | 11.7 | 0 | 0 | 109.9 | A521 C522 K523 P545 D551 I709 | Q515-A521 CarbonylContact O-C 3.56Å; Q515-A521 VanDerWaalsContact O-CA 3.31Å; Q515-A521 WeakPolarHBondContact O-CA 3.37Å; Q515-C522 WeakPolarHBondContact CG-O 3.35Å; Q515-C522 PolarHBondContact N-O 2.97Å; Q515-C522 PolarHBondContact O-N 2.98Å; Q515-K523 PolarHBondContact NE2-O 3.49Å; Q515-K523 VanDerWaalsContact NE2-O 3.09Å; Q515-P545 HydrophobicContact CB-CB 4.42Å; Q515-P545 HydrophobicContact CB-CG 4.06Å; Q515-P545 HydrophobicContact CG-CB 4.35Å; Q515-P545 HydrophobicContact CG-CG 4.21Å; Q515-D551 PolarHBondContact NE2-OD1 3.4Å; Q515-I709 WeakPolarHBondContact CB-O 3.39Å |
| 516 | F | 97.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 4% | 0.044 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 111.7 | -175.6 | -173 | -112.1 | 0 | 0 | 0 | 112.2 | G519 K520 V694 L697 Q698 V707 N708 I709 | F516-G519 WeakPolarHBondContact CE2-O 3.31Å; F516-G519 VanDerWaalsContact CZ-CA 3.45Å; F516-K520 WeakPolarHBondContact CA-O 3.46Å; F516-V694 HydrophobicContact CB-CB 4.45Å; F516-V694 HydrophobicContact CB-CG1 3.85Å; F516-V694 HydrophobicContact CB-CG2 3.78Å; F516-V694 HydrophobicContact CD2-CG1 3.55Å; F516-V694 HydrophobicContact CE2-CG1 4.31Å; F516-V694 HydrophobicContact CG-CG1 3.92Å; F516-V694 HydrophobicContact CG-CG2 4.46Å; F516-L697 HydrophobicContact CD1-CD1 3.95Å; F516-L697 HydrophobicContact CE1-CB 3.93Å; F516-L697 HydrophobicContact CE1-CD1 4.01Å; F516-L697 HydrophobicContact CZ-CB 3.94Å; F516-Q698 HydrophobicContact CD2-CG 4.33Å; F516-Q698 HydrophobicContact CE2-CG 3.7Å; F516-V707 VanDerWaalsContact CD1-O 3.28Å; F516-V707 WeakPolarHBondContact CD1-O 3.4Å; F516-V707 WeakPolarHBondContact CE1-O 3.34Å; F516-N708 CarbonylContact O-C 3.35Å; F516-N708 VanDerWaalsContact O-CA 3.24Å; F516-N708 WeakPolarHBondContact O-CA 3.11Å; F516-I709 HydrophobicContact CB-CB 4.25Å; F516-I709 PolarHBondContact N-O 3.04Å; F516-I709 PolarHBondContact O-N 2.88Å |
| 517 | V | 97 | Very high | 87.6 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.127 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 130.8 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | G519 K520 N554 A555 I710 | V517-G519 VanDerWaalsContact C-N 3.27Å; V517-G519 PolarHBondContact O-N 3.34Å; V517-K520 PolarHBondContact N-O 3.28Å; V517-K520 PolarHBondContact O-N 3.26Å; V517-K520 VanDerWaalsContact O-N 3.11Å; V517-N554 HydrophobicContact CG1-CB 4.29Å; V517-A555 HydrophobicContact CG1-CB 4.11Å; V517-I710 HydrophobicContact CG2-CG1 4.31Å |
| 518 | G | 94.9 | Very high | 89.3 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 33.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | K520 N708 | G518-K520 VanDerWaalsContact C-N 3.31Å; G518-K520 PolarHBondContact O-N 3.27Å; G518-N708 PolarHBondContact N-OD1 3.1Å |
| 519 | G | 93.6 | Very high | 90.8 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 26% | 0.258 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | F516 V517 | F516-G519 WeakPolarHBondContact CE2-O 3.31Å; F516-G519 VanDerWaalsContact CZ-CA 3.45Å; V517-G519 VanDerWaalsContact C-N 3.27Å; V517-G519 PolarHBondContact O-N 3.34Å |
| 520 | K | 94.5 | Very high | 91.6 | Very high | 153 Ų | 153 | 58.8 Ų | 58.8 | 67% | 0.665 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.9 | -176.8 | -63.1 | -179.3 | -177.7 | 179.4 | 0 | 111.6 | F516 V517 G518 | F516-K520 WeakPolarHBondContact CA-O 3.46Å; V517-K520 PolarHBondContact N-O 3.28Å; V517-K520 PolarHBondContact O-N 3.26Å; V517-K520 VanDerWaalsContact O-N 3.11Å; G518-K520 VanDerWaalsContact C-N 3.31Å; G518-K520 PolarHBondContact O-N 3.27Å |
| 521 | A | 94.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P514 Q515 | P514-A521 HydrophobicContact CB-CB 3.82Å; P514-A521 HydrophobicContact CG-CB 3.63Å; Q515-A521 CarbonylContact O-C 3.56Å; Q515-A521 VanDerWaalsContact O-CA 3.31Å; Q515-A521 WeakPolarHBondContact O-CA 3.37Å |
| 522 | C | 93.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 166.7 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | P514 Q515 | P514-C522 CarbonylContact C-O 3.56Å; P514-C522 WeakPolarHBondContact CA-O 3.23Å; P514-C522 WeakPolarHBondContact CB-O 3.4Å; Q515-C522 WeakPolarHBondContact CG-O 3.35Å; Q515-C522 PolarHBondContact N-O 2.97Å; Q515-C522 PolarHBondContact O-N 2.98Å |
| 523 | K | 94.1 | Very high | 92.2 | Very high | 173 Ų | 173 | 52 Ų | 52 | 75% | 0.752 | 32% | 0.316 | S | S | * | . | trans | -84.1 | 168.4 | 168.7 | -62.4 | -177.5 | 179.4 | -176.2 | 0 | 109.7 | Q515 | Q515-K523 PolarHBondContact NE2-O 3.49Å; Q515-K523 VanDerWaalsContact NE2-O 3.09Å | ||
| 524 | S | 93.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | trans | -61 | 147.4 | 166.4 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | S526 G527 C528 D546 | S524-S526 PolarHBondContact O-N 3.24Å; S524-S526 PolarHBondContact OG-OG 2.95Å; S524-G527 PolarHBondContact O-N 2.82Å; S524-G527 VanDerWaalsContact O-N 3.07Å; S524-G527 PolarHBondContact OG-N 3.23Å; S524-C528 PolarHBondContact OG-N 3.4Å; S524-C528 PolarHBondContact OG-O 3.4Å; S524-D546 WeakPolarHBondContact CB-O 3.31Å | ||
| 525 | V | 93.9 | Very high | 90.9 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -32 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | G527 K550 D551 | V525-G527 PolarHBondContact O-N 3.27Å; V525-K550 HydrophobicContact CB-CB 4.44Å; V525-K550 HydrophobicContact CB-CG 4.3Å; V525-K550 HydrophobicContact CG1-CB 4.28Å; V525-K550 HydrophobicContact CG1-CG 3.86Å; V525-K550 HydrophobicContact CG2-CG 4.16Å; V525-D551 WeakPolarHBondContact CG2-OD1 3.4Å; V525-D551 PolarHBondContact N-OD1 3.27Å |
| 526 | S | 90.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.9 | 174.7 | 57.7 | 0 | 0 | 0 | 0 | 113 | S524 C528 D546 | S524-S526 PolarHBondContact O-N 3.24Å; S524-S526 PolarHBondContact OG-OG 2.95Å; S526-C528 PolarHBondContact O-N 3.4Å; S526-C528 WeakPolarHBondContact OG-CB 3.42Å; S526-C528 PolarHBondContact OG-N 3.03Å; S526-D546 PolarHBondContact OG-O 2.97Å |
| 527 | G | 89 | Confident | 88.4 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | trans | 76.8 | -3.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114 | S524 V525 | S524-G527 PolarHBondContact O-N 2.82Å; S524-G527 VanDerWaalsContact O-N 3.07Å; S524-G527 PolarHBondContact OG-N 3.23Å; V525-G527 PolarHBondContact O-N 3.27Å | ||
| 528 | C | 88.6 | Confident | 87.2 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 46% | 0.459 | 39% | 0.39 | S | S | . | . | trans | -73.7 | 150.6 | 178.9 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | S524 S526 D546 | S524-C528 PolarHBondContact OG-N 3.4Å; S524-C528 PolarHBondContact OG-O 3.4Å; S526-C528 PolarHBondContact O-N 3.4Å; S526-C528 WeakPolarHBondContact OG-CB 3.42Å; S526-C528 PolarHBondContact OG-N 3.03Å; C528-D546 HydrophobicContact CB-CB 3.9Å; C528-D546 PolarHBondContact O-N 3.26Å | ||
| 529 | S | 89.8 | Confident | 86.6 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 51% | 0.51 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.4 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | C544 | S529-C544 CarbonylContact C-O 3.48Å; S529-C544 WeakPolarHBondContact CA-O 3.43Å; S529-C544 VanDerWaalsContact CB-O 3.24Å; S529-C544 WeakPolarHBondContact CB-O 3.21Å |
| 530 | V | 88.3 | Confident | 86.3 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | F543 C544 D546 | V530-F543 WeakPolarHBondContact O-CA 3.39Å; V530-C544 PolarHBondContact N-O 3.26Å; V530-C544 PolarHBondContact O-N 2.92Å; V530-D546 HydrophobicContact CG2-CB 3.69Å |
| 531 | A | 88.8 | Confident | 86 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V540 F543 | A531-V540 HydrophobicContact CB-CG1 4.01Å; A531-V540 HydrophobicContact CB-CG2 4.23Å; A531-F543 HydrophobicContact CB-CD1 4.22Å; A531-F543 HydrophobicContact CB-CE1 3.94Å |
| 532 | V | 87.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.4 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | L541 A542 C544 P687 L688 | V532-L541 PolarHBondContact O-N 2.91Å; V532-A542 HydrophobicContact CB-CB 4.35Å; V532-A542 PolarHBondContact N-O 3.43Å; V532-A542 PolarHBondContact O-N 3.34Å; V532-C544 HydrophobicContact CG2-CB 4.08Å; V532-C544 VanDerWaalsContact CG2-SG 3.6Å; V532-P687 HydrophobicContact CG1-CG 4.15Å; V532-P687 HydrophobicContact CG2-CG 3.76Å; V532-L688 HydrophobicContact CB-CD2 4.38Å; V532-L688 HydrophobicContact CG1-CD1 4.04Å; V532-L688 HydrophobicContact CG1-CD2 4.11Å; V532-L688 HydrophobicContact CG1-CG 3.9Å; V532-L688 HydrophobicContact CG2-CD2 4.24Å |
| 533 | Q | 86.3 | Confident | 85.6 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 154.9 | -174.2 | -67.1 | 171 | -47.4 | 0 | 0 | 112.4 | V499 G537 I539 | V499-Q533 VanDerWaalsContact CG1-NE2 3.35Å; Q533-G537 PolarHBondContact NE2-O 2.84Å; Q533-I539 CarbonylContact C-O 3.41Å; Q533-I539 VanDerWaalsContact CA-O 3.28Å; Q533-I539 WeakPolarHBondContact CA-O 3.47Å |
| 534 | A | 82.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 50 Ų | 50 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 162.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G536 G537 I539 L541 | A534-G536 PolarHBondContact O-N 2.89Å; A534-G537 PolarHBondContact O-N 3.26Å; A534-I539 HydrophobicContact CB-CB 4.07Å; A534-I539 PolarHBondContact N-O 3.36Å; A534-L541 HydrophobicContact CB-CD1 4.09Å; A534-L541 HydrophobicContact CB-CD2 4Å; A534-L541 HydrophobicContact CB-CG 3.94Å |
| 535 | P | 73.8 | Confident | 85.5 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 109.5 | 170.1 | -20.6 | 31.8 | 0 | 0 | 0 | 110.1 | Q599 L600 | P535-Q599 VanDerWaalsContact CD-O 3.27Å; P535-Q599 WeakPolarHBondContact CD-O 3.13Å; P535-Q599 WeakPolarHBondContact CG-O 3.36Å; P535-L600 WeakPolarHBondContact CG-O 3.2Å |
| 536 | G | 69.1 | Low | 85.5 | Confident | 67 Ų | 67 | 47 Ų | 47 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123 | -20.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A534 D538 | A534-G536 PolarHBondContact O-N 2.89Å; G536-D538 VanDerWaalsContact C-N 3.31Å; G536-D538 PolarHBondContact O-N 2.99Å |
| 537 | G | 71.8 | Confident | 85.7 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 87.2 | -16.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q533 A534 | Q533-G537 PolarHBondContact NE2-O 2.84Å; A534-G537 PolarHBondContact O-N 3.26Å |
| 538 | D | 72.9 | Confident | 85.9 | Confident | 119 Ų | 119 | 41.7 Ų | 41.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -79.1 | -24.1 | -169.6 | -57.7 | -34.8 | 0 | 0 | 0 | 114.3 | G536 | G536-D538 VanDerWaalsContact C-N 3.31Å; G536-D538 PolarHBondContact O-N 2.99Å |
| 539 | I | 82.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -117.7 | 130.7 | -174.4 | -58.2 | 172.9 | 0 | 0 | 0 | 110.2 | Q533 A534 | Q533-I539 CarbonylContact C-O 3.41Å; Q533-I539 VanDerWaalsContact CA-O 3.28Å; Q533-I539 WeakPolarHBondContact CA-O 3.47Å; A534-I539 HydrophobicContact CB-CB 4.07Å; A534-I539 PolarHBondContact N-O 3.36Å |
| 540 | V | 87.2 | Confident | 86.5 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.6 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | P501 P510 A531 F543 | P501-V540 HydrophobicContact CB-CG2 3.83Å; P501-V540 HydrophobicContact CG-CG2 4.18Å; P510-V540 HydrophobicContact CB-CG1 4.09Å; P510-V540 HydrophobicContact CG-CB 4.43Å; P510-V540 HydrophobicContact CG-CG1 4.18Å; A531-V540 HydrophobicContact CB-CG1 4.01Å; A531-V540 HydrophobicContact CB-CG2 4.23Å; V540-F543 HydrophobicContact CG1-CE2 4.44Å; V540-F543 HydrophobicContact CG1-CZ 4.23Å |
| 541 | L | 87.3 | Confident | 87 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -39.8 | 177.7 | -64.3 | 177.5 | 0 | 0 | 0 | 112 | V532 A534 Q599 L688 | V532-L541 PolarHBondContact O-N 2.91Å; A534-L541 HydrophobicContact CB-CD1 4.09Å; A534-L541 HydrophobicContact CB-CD2 4Å; A534-L541 HydrophobicContact CB-CG 3.94Å; L541-Q599 HydrophobicContact CD1-CB 4.35Å; L541-L688 HydrophobicContact CB-CD1 4.14Å; L541-L688 HydrophobicContact CD1-CD1 4.25Å |
| 542 | A | 89.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 169.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q511 Y513 V532 L688 | Q511-A542 CarbonylContact O-C 3.49Å; Q511-A542 WeakPolarHBondContact O-CA 3.12Å; Q511-A542 VanDerWaalsContact O-CB 3.24Å; Q511-A542 WeakPolarHBondContact O-CB 3.4Å; Y513-A542 HydrophobicContact CD2-CB 3.76Å; Y513-A542 HydrophobicContact CE2-CB 3.73Å; V532-A542 HydrophobicContact CB-CB 4.35Å; V532-A542 PolarHBondContact N-O 3.43Å; V532-A542 PolarHBondContact O-N 3.34Å; A542-L688 HydrophobicContact CB-CD1 4.24Å; A542-L688 HydrophobicContact CB-CD2 3.76Å |
| 543 | F | 91.1 | Very high | 87.9 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 30% | 0.303 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.6 | 166.5 | -66.5 | -80.6 | 0 | 0 | 0 | 109.9 | P510 Q511 S512 Y513 V530 A531 V540 | P510-F543 HydrophobicContact CB-CD2 3.98Å; P510-F543 HydrophobicContact CB-CE2 3.73Å; P510-F543 HydrophobicContact CG-CE2 4.18Å; Q511-F543 PolarHBondContact O-N 3.07Å; S512-F543 WeakPolarHBondContact CA-O 3.42Å; Y513-F543 PolarHBondContact N-O 3.48Å; V530-F543 WeakPolarHBondContact O-CA 3.39Å; A531-F543 HydrophobicContact CB-CD1 4.22Å; A531-F543 HydrophobicContact CB-CE1 3.94Å; V540-F543 HydrophobicContact CG1-CE2 4.44Å; V540-F543 HydrophobicContact CG1-CZ 4.23Å |
| 544 | C | 92.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 155.9 | 173.4 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | S529 V530 V532 L691 T711 | S529-C544 CarbonylContact C-O 3.48Å; S529-C544 WeakPolarHBondContact CA-O 3.43Å; S529-C544 VanDerWaalsContact CB-O 3.24Å; S529-C544 WeakPolarHBondContact CB-O 3.21Å; V530-C544 PolarHBondContact N-O 3.26Å; V530-C544 PolarHBondContact O-N 2.92Å; V532-C544 HydrophobicContact CG2-CB 4.08Å; V532-C544 VanDerWaalsContact CG2-SG 3.6Å; C544-L691 HydrophobicContact CB-CD1 3.73Å; C544-T711 HydrophobicContact CB-CG2 4.4Å |
| 545 | P | 93.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 139.8 | 179.1 | -22.6 | 36.5 | 0 | 0 | 0 | 111.8 | Y513 Q515 G547 T711 | Y513-P545 VanDerWaalsContact O-CD 3.22Å; Y513-P545 WeakPolarHBondContact O-CD 3.42Å; Q515-P545 HydrophobicContact CB-CB 4.42Å; Q515-P545 HydrophobicContact CB-CG 4.06Å; Q515-P545 HydrophobicContact CG-CB 4.35Å; Q515-P545 HydrophobicContact CG-CG 4.21Å; P545-G547 PolarHBondContact O-N 3.34Å; P545-T711 WeakPolarHBondContact CD-OG1 3.39Å; P545-T711 CarbonylContact O-C 3.48Å; P545-T711 WeakPolarHBondContact O-CB 3.37Å; P545-T711 VanDerWaalsContact O-O 3.12Å; P545-T711 PolarHBondContact O-OG1 2.99Å |
| 546 | D | 93.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 43 Ų | 43 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | trans | -90.1 | 84.3 | 168.9 | -164.4 | 20.4 | 0 | 0 | 0 | 109.1 | S524 S526 C528 V530 G712 N713 | S524-D546 WeakPolarHBondContact CB-O 3.31Å; S526-D546 PolarHBondContact OG-O 2.97Å; C528-D546 HydrophobicContact CB-CB 3.9Å; C528-D546 PolarHBondContact O-N 3.26Å; V530-D546 HydrophobicContact CG2-CB 3.69Å; D546-G712 WeakPolarHBondContact OD1-CA 3.32Å; D546-N713 PolarHBondContact OD1-N 2.71Å | ||
| 547 | G | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -70.2 | 143.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | P545 T711 L717 | P545-G547 PolarHBondContact O-N 3.34Å; G547-T711 VanDerWaalsContact CA-O 3.25Å; G547-T711 WeakPolarHBondContact CA-O 3.39Å; G547-T711 PolarHBondContact N-O 2.65Å; G547-L717 WeakPolarHBondContact O-CD2 3.14Å | ||
| 548 | G | 93.4 | Very high | 93 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | trans | -127.1 | -165.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K550 D551 V552 | G548-K550 PolarHBondContact O-N 3.37Å; G548-K550 VanDerWaalsContact O-N 3.13Å; G548-D551 PolarHBondContact N-OD2 2.94Å; G548-D551 WeakPolarHBondContact O-CB 3.1Å; G548-D551 PolarHBondContact O-N 2.95Å; G548-D551 VanDerWaalsContact O-N 3.08Å; G548-V552 PolarHBondContact O-N 3.47Å; G548-V552 VanDerWaalsContact O-N 3.13Å | ||
| 549 | R | 95.6 | Very high | 94.2 | Very high | 175 Ų | 175 | 38.9 Ų | 38.9 | 66% | 0.66 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -54.6 | -34.8 | -179.3 | -174.9 | -179.1 | 179.5 | -165.5 | 1.9 | 113.6 | R553 A720 | R549-R553 PolarHBondContact O-N 2.94Å; R549-A720 HydrophobicContact CB-CB 4.25Å; R549-A720 HydrophobicContact CG-CB 4.33Å |
| 550 | K | 96.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 38% | 0.378 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -74.3 | -34.8 | -179.4 | -174.5 | 53.5 | 176.9 | 149.9 | 0 | 111.9 | V525 G548 R553 N554 | V525-K550 HydrophobicContact CB-CB 4.44Å; V525-K550 HydrophobicContact CB-CG 4.3Å; V525-K550 HydrophobicContact CG1-CB 4.28Å; V525-K550 HydrophobicContact CG1-CG 3.86Å; V525-K550 HydrophobicContact CG2-CG 4.16Å; G548-K550 PolarHBondContact O-N 3.37Å; G548-K550 VanDerWaalsContact O-N 3.13Å; K550-R553 PolarHBondContact O-N 3.06Å; K550-N554 VanDerWaalsContact CE-OD1 3.27Å; K550-N554 WeakPolarHBondContact CE-OD1 3.37Å; K550-N554 PolarHBondContact NZ-OD1 2.97Å; K550-N554 PolarHBondContact O-N 3.41Å; K550-N554 PolarHBondContact O-ND2 3.47Å; K550-N554 PolarHBondContact O-OD1 3.41Å |
| 551 | D | 97.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 172 | -57.2 | -82.2 | 0 | 0 | 0 | 110.8 | Q515 V525 G548 R553 N554 A555 I710 | Q515-D551 PolarHBondContact NE2-OD1 3.4Å; V525-D551 WeakPolarHBondContact CG2-OD1 3.4Å; V525-D551 PolarHBondContact N-OD1 3.27Å; G548-D551 PolarHBondContact N-OD2 2.94Å; G548-D551 WeakPolarHBondContact O-CB 3.1Å; G548-D551 PolarHBondContact O-N 2.95Å; G548-D551 VanDerWaalsContact O-N 3.08Å; D551-R553 VanDerWaalsContact C-N 3.35Å; D551-R553 PolarHBondContact O-N 2.85Å; D551-N554 PolarHBondContact O-N 2.94Å; D551-A555 PolarHBondContact O-N 2.76Å; D551-I710 HydrophobicContact CB-CD1 4.28Å; D551-I710 HydrophobicContact CB-CG2 4.11Å |
| 552 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | G548 N554 A555 V556 I710 L717 A720 L721 | G548-V552 PolarHBondContact O-N 3.47Å; G548-V552 VanDerWaalsContact O-N 3.13Å; V552-N554 PolarHBondContact O-N 3.23Å; V552-A555 PolarHBondContact O-N 2.95Å; V552-V556 HydrophobicContact CG1-CG2 4.34Å; V552-V556 VanDerWaalsContact O-CG2 3.31Å; V552-V556 WeakPolarHBondContact O-CG2 3.48Å; V552-V556 PolarHBondContact O-N 3.09Å; V552-I710 HydrophobicContact CB-CD1 4.27Å; V552-I710 HydrophobicContact CG2-CD1 3.79Å; V552-L717 HydrophobicContact CG2-CD2 3.66Å; V552-A720 HydrophobicContact CB-CB 4Å; V552-A720 HydrophobicContact CG1-CB 4.15Å; V552-A720 HydrophobicContact CG2-CB 3.8Å; V552-L721 HydrophobicContact CG1-CD2 3.85Å; V552-L721 HydrophobicContact CG1-CG 4.48Å |
| 553 | R | 97.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 45 Ų | 45 | 35% | 0.347 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 175.8 | -178.4 | -176.6 | -63 | 147.5 | 2.5 | 111.6 | R549 K550 D551 A555 V556 E557 | R549-R553 PolarHBondContact O-N 2.94Å; K550-R553 PolarHBondContact O-N 3.06Å; D551-R553 VanDerWaalsContact C-N 3.35Å; D551-R553 PolarHBondContact O-N 2.85Å; R553-A555 VanDerWaalsContact C-N 3.31Å; R553-A555 PolarHBondContact O-N 2.92Å; R553-V556 PolarHBondContact O-N 3.21Å; R553-E557 HydrophobicContact CG-CG 4.41Å; R553-E557 WeakPolarHBondContact CG-OE1 3.4Å; R553-E557 WeakPolarHBondContact O-CB 3.27Å; R553-E557 WeakPolarHBondContact O-CG 3.47Å; R553-E557 PolarHBondContact O-N 3.22Å |
| 554 | N | 98 | Very high | 96.4 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -41 | -179.7 | -66.5 | -9.3 | 0 | 0 | 0 | 111.3 | V517 K550 D551 V552 E557 T558 | V517-N554 HydrophobicContact CG1-CB 4.29Å; K550-N554 VanDerWaalsContact CE-OD1 3.27Å; K550-N554 WeakPolarHBondContact CE-OD1 3.37Å; K550-N554 PolarHBondContact NZ-OD1 2.97Å; K550-N554 PolarHBondContact O-N 3.41Å; K550-N554 PolarHBondContact O-ND2 3.47Å; K550-N554 PolarHBondContact O-OD1 3.41Å; D551-N554 PolarHBondContact O-N 2.94Å; V552-N554 PolarHBondContact O-N 3.23Å; N554-E557 PolarHBondContact O-N 2.97Å; N554-T558 WeakPolarHBondContact O-CG2 3.42Å; N554-T558 PolarHBondContact O-N 3.01Å |
| 555 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V517 D551 V552 R553 E557 T558 A559 V679 N708 I710 | V517-A555 HydrophobicContact CG1-CB 4.11Å; D551-A555 PolarHBondContact O-N 2.76Å; V552-A555 PolarHBondContact O-N 2.95Å; R553-A555 VanDerWaalsContact C-N 3.31Å; R553-A555 PolarHBondContact O-N 2.92Å; A555-E557 VanDerWaalsContact C-N 3.35Å; A555-E557 PolarHBondContact O-N 2.99Å; A555-T558 PolarHBondContact O-N 3.04Å; A555-T558 VanDerWaalsContact O-N 3.16Å; A555-T558 PolarHBondContact O-OG1 3.46Å; A555-A559 WeakPolarHBondContact O-CB 3.18Å; A555-A559 PolarHBondContact O-N 3.13Å; A555-V679 HydrophobicContact CB-CG1 4.02Å; A555-V679 HydrophobicContact CB-CG2 3.98Å; A555-N708 HydrophobicContact CB-CB 3.7Å; A555-I710 HydrophobicContact CB-CD1 3.8Å |
| 556 | V | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | V552 R553 T558 A559 I560 V650 V679 H724 V726 I727 | V552-V556 HydrophobicContact CG1-CG2 4.34Å; V552-V556 VanDerWaalsContact O-CG2 3.31Å; V552-V556 WeakPolarHBondContact O-CG2 3.48Å; V552-V556 PolarHBondContact O-N 3.09Å; R553-V556 PolarHBondContact O-N 3.21Å; V556-T558 PolarHBondContact O-N 2.84Å; V556-A559 PolarHBondContact O-N 2.83Å; V556-I560 WeakPolarHBondContact O-CG2 3.48Å; V556-I560 PolarHBondContact O-N 3.13Å; V556-V650 HydrophobicContact CG1-CG1 4.48Å; V556-V679 HydrophobicContact CG2-CG2 3.96Å; V556-H724 WeakPolarHBondContact CG1-CE1 3.48Å; V556-V726 HydrophobicContact CG1-CB 3.71Å; V556-V726 HydrophobicContact CG1-CG1 3.65Å; V556-V726 HydrophobicContact CG1-CG2 4.39Å; V556-I727 HydrophobicContact CG2-CD1 3.94Å; V556-I727 HydrophobicContact CG2-CG1 3.99Å |
| 557 | E | 97.7 | Very high | 96.7 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -33.2 | 175 | -78 | 174.8 | -163.1 | 0 | 0 | 112.7 | R553 N554 A555 I560 K561 | R553-E557 HydrophobicContact CG-CG 4.41Å; R553-E557 WeakPolarHBondContact CG-OE1 3.4Å; R553-E557 WeakPolarHBondContact O-CB 3.27Å; R553-E557 WeakPolarHBondContact O-CG 3.47Å; R553-E557 PolarHBondContact O-N 3.22Å; N554-E557 PolarHBondContact O-N 2.97Å; A555-E557 VanDerWaalsContact C-N 3.35Å; A555-E557 PolarHBondContact O-N 2.99Å; E557-I560 WeakPolarHBondContact O-CG2 3.37Å; E557-K561 WeakPolarHBondContact O-CD 3.36Å; E557-K561 VanDerWaalsContact O-CG 3.29Å; E557-K561 WeakPolarHBondContact O-CG 3.44Å |
| 558 | T | 97.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 57 Ų | 57 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.6 | -41.7 | 173.9 | 64 | 0 | 0 | 0 | 0 | 111.9 | N554 A555 V556 I560 K561 V562 N708 | N554-T558 WeakPolarHBondContact O-CG2 3.42Å; N554-T558 PolarHBondContact O-N 3.01Å; A555-T558 PolarHBondContact O-N 3.04Å; A555-T558 VanDerWaalsContact O-N 3.16Å; A555-T558 PolarHBondContact O-OG1 3.46Å; V556-T558 PolarHBondContact O-N 2.84Å; T558-I560 PolarHBondContact O-N 2.98Å; T558-K561 PolarHBondContact O-N 3.49Å; T558-V562 WeakPolarHBondContact O-CG1 3.29Å; T558-V562 PolarHBondContact O-N 2.89Å; T558-N708 PolarHBondContact OG1-OD1 3.17Å |
| 559 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A555 V556 K561 V562 Q563 V650 A677 G705 | A555-A559 WeakPolarHBondContact O-CB 3.18Å; A555-A559 PolarHBondContact O-N 3.13Å; V556-A559 PolarHBondContact O-N 2.83Å; A559-K561 VanDerWaalsContact C-N 3.28Å; A559-K561 PolarHBondContact O-N 3.28Å; A559-V562 WeakPolarHBondContact O-CG1 3.48Å; A559-V562 PolarHBondContact O-N 3.45Å; A559-Q563 WeakPolarHBondContact O-CB 3.43Å; A559-Q563 PolarHBondContact O-N 3.38Å; A559-V650 HydrophobicContact CB-CG1 3.94Å; A559-V650 HydrophobicContact CB-CG2 4Å; A559-A677 HydrophobicContact CB-CB 3.88Å; A559-G705 WeakPolarHBondContact CA-O 3.44Å |
| 560 | I | 97.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -31.9 | -179.5 | -163.4 | -177.8 | 0 | 0 | 0 | 112.7 | V556 E557 T558 P564 V726 | V556-I560 WeakPolarHBondContact O-CG2 3.48Å; V556-I560 PolarHBondContact O-N 3.13Å; E557-I560 WeakPolarHBondContact O-CG2 3.37Å; T558-I560 PolarHBondContact O-N 2.98Å; I560-P564 WeakPolarHBondContact O-CD 3.19Å; I560-V726 HydrophobicContact CB-CG1 4.02Å; I560-V726 HydrophobicContact CD1-CB 4.47Å; I560-V726 HydrophobicContact CD1-CG1 3.63Å; I560-V726 HydrophobicContact CD1-CG2 3.95Å; I560-V726 HydrophobicContact CG1-CG1 3.9Å |
| 561 | K | 96.9 | Very high | 96.6 | Very high | 165 Ų | 165 | 52.8 Ų | 52.8 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.4 | -35.8 | 179.1 | -71.1 | 173.7 | -173.8 | 175 | 0 | 111.8 | E557 T558 A559 | E557-K561 WeakPolarHBondContact O-CD 3.36Å; E557-K561 VanDerWaalsContact O-CG 3.29Å; E557-K561 WeakPolarHBondContact O-CG 3.44Å; T558-K561 PolarHBondContact O-N 3.49Å; A559-K561 VanDerWaalsContact C-N 3.28Å; A559-K561 PolarHBondContact O-N 3.28Å |
| 562 | V | 97.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -95.2 | -29.2 | -171.7 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | T558 A559 G565 W566 P703 L706 | T558-V562 WeakPolarHBondContact O-CG1 3.29Å; T558-V562 PolarHBondContact O-N 2.89Å; A559-V562 WeakPolarHBondContact O-CG1 3.48Å; A559-V562 PolarHBondContact O-N 3.45Å; V562-G565 PolarHBondContact O-N 2.85Å; V562-G565 VanDerWaalsContact O-N 3.13Å; V562-W566 PolarHBondContact O-N 3.36Å; V562-P703 HydrophobicContact CG2-CB 3.24Å; V562-P703 HydrophobicContact CG2-CG 4.27Å; V562-L706 HydrophobicContact CG1-CB 4.39Å |
| 563 | Q | 97.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.065 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | -175.5 | -169 | -82.3 | -29.8 | 0 | 0 | 113.9 | A559 G565 W566 M567 G675 A677 | A559-Q563 WeakPolarHBondContact O-CB 3.43Å; A559-Q563 PolarHBondContact O-N 3.38Å; Q563-G565 VanDerWaalsContact C-N 3.29Å; Q563-G565 PolarHBondContact O-N 3.03Å; Q563-W566 PolarHBondContact O-N 3.34Å; Q563-W566 VanDerWaalsContact O-N 3.14Å; Q563-M567 WeakPolarHBondContact O-CB 3.43Å; Q563-M567 PolarHBondContact O-N 2.71Å; Q563-G675 PolarHBondContact NE2-O 3.16Å; Q563-A677 HydrophobicContact CB-CB 3.71Å; Q563-A677 HydrophobicContact CG-CB 3.83Å |
| 564 | P | 95.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 177.3 | -25.2 | 35.6 | 0 | 0 | 0 | 113 | I560 K568 | I560-P564 WeakPolarHBondContact O-CD 3.19Å; P564-K568 VanDerWaalsContact O-CG 3.31Å; P564-K568 WeakPolarHBondContact O-CG 3.28Å; P564-K568 PolarHBondContact O-N 2.9Å |
| 565 | G | 96.2 | Very high | 96.3 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V562 Q563 K568 K569 | V562-G565 PolarHBondContact O-N 2.85Å; V562-G565 VanDerWaalsContact O-N 3.13Å; Q563-G565 VanDerWaalsContact C-N 3.29Å; Q563-G565 PolarHBondContact O-N 3.03Å; G565-K568 PolarHBondContact O-N 2.79Å; G565-K569 PolarHBondContact O-N 3.16Å |
| 566 | W | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 175.7 | -177.5 | -112.6 | 0 | 0 | 0 | 112.9 | V562 Q563 K568 K569 R574 I672 L702 P703 L706 | V562-W566 PolarHBondContact O-N 3.36Å; Q563-W566 PolarHBondContact O-N 3.34Å; Q563-W566 VanDerWaalsContact O-N 3.14Å; W566-K568 VanDerWaalsContact C-N 3.27Å; W566-K568 PolarHBondContact O-N 2.9Å; W566-K569 HydrophobicContact CE3-CD 3.69Å; W566-K569 HydrophobicContact CE3-CG 4.41Å; W566-K569 HydrophobicContact CZ3-CD 3.7Å; W566-K569 WeakPolarHBondContact O-CB 3.27Å; W566-K569 PolarHBondContact O-N 3.02Å; W566-K569 VanDerWaalsContact O-N 3.14Å; W566-R574 HydrophobicContact CD2-CG 4.33Å; W566-R574 HydrophobicContact CH2-CB 4.06Å; W566-R574 HydrophobicContact CH2-CG 3.88Å; W566-R574 HydrophobicContact CZ2-CB 3.8Å; W566-R574 HydrophobicContact CZ2-CG 3.55Å; W566-R574 HydrophobicContact CZ3-CG 4.4Å; W566-I672 PolarHBondContact NE1-O 3.49Å; W566-L702 HydrophobicContact CH2-CD2 4.01Å; W566-P703 HydrophobicContact CE3-CG 3.81Å; W566-P703 HydrophobicContact CZ3-CG 4.24Å; W566-L706 HydrophobicContact CB-CD1 3.91Å; W566-L706 VanDerWaalsContact CD1-CD1 3.46Å; W566-L706 HydrophobicContact CD2-CD1 4.08Å; W566-L706 HydrophobicContact CD2-CD2 3.62Å; W566-L706 HydrophobicContact CE3-CD2 3.96Å; W566-L706 HydrophobicContact CG-CD1 3.54Å; W566-L706 HydrophobicContact CG-CD2 4.03Å; W566-L706 HydrophobicContact CG-CG 4.46Å; W566-L706 HydrophobicContact CH2-CD2 4.24Å; W566-L706 HydrophobicContact CZ2-CD2 3.93Å; W566-L706 HydrophobicContact CZ3-CD2 4.24Å |
| 567 | M | 93.6 | Very high | 96.2 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 38% | 0.384 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 173.2 | 177.1 | -164.4 | -46.9 | 0 | 0 | 111.7 | Q563 K569 R574 P647 | Q563-M567 WeakPolarHBondContact O-CB 3.43Å; Q563-M567 PolarHBondContact O-N 2.71Å; M567-K569 VanDerWaalsContact C-N 3.3Å; M567-K569 PolarHBondContact O-N 3.41Å; M567-R574 PolarHBondContact O-NH1 3.05Å; M567-P647 HydrophobicContact CB-CG 4.2Å; M567-P647 HydrophobicContact CE-CG 3.97Å; M567-P647 HydrophobicContact CG-CG 3.61Å; M567-P647 HydrophobicContact SD-CG 4.16Å |
| 568 | K | 93 | Very high | 96.2 | Very high | 178 Ų | 178 | 54.5 Ų | 54.5 | 77% | 0.774 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.1 | -19.3 | 179 | -74.6 | 177.2 | -178.4 | -173.9 | 0 | 114 | P564 G565 W566 | P564-K568 VanDerWaalsContact O-CG 3.31Å; P564-K568 WeakPolarHBondContact O-CG 3.28Å; P564-K568 PolarHBondContact O-N 2.9Å; G565-K568 PolarHBondContact O-N 2.79Å; W566-K568 VanDerWaalsContact C-N 3.27Å; W566-K568 PolarHBondContact O-N 2.9Å |
| 569 | K | 95.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 57 Ų | 57 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -60.8 | 143.9 | 174.3 | -73.6 | -161.4 | 178.2 | -174.9 | 0 | 109.8 | G565 W566 M567 A573 R574 | G565-K569 PolarHBondContact O-N 3.16Å; W566-K569 HydrophobicContact CE3-CD 3.69Å; W566-K569 HydrophobicContact CE3-CG 4.41Å; W566-K569 HydrophobicContact CZ3-CD 3.7Å; W566-K569 WeakPolarHBondContact O-CB 3.27Å; W566-K569 PolarHBondContact O-N 3.02Å; W566-K569 VanDerWaalsContact O-N 3.14Å; M567-K569 VanDerWaalsContact C-N 3.3Å; M567-K569 PolarHBondContact O-N 3.41Å; K569-A573 HydrophobicContact CB-CB 4.36Å; K569-A573 HydrophobicContact CD-CB 4.48Å; K569-R574 HydrophobicContact CB-CG 4.1Å; K569-R574 PolarHBondContact O-NH1 3.01Å |
| 570 | S | 94.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | trans | -61.9 | 150.4 | 174.2 | 67 | 0 | 0 | 0 | 0 | 110.6 | S572 A573 R574 | S570-S572 PolarHBondContact O-N 2.97Å; S570-A573 WeakPolarHBondContact O-CB 3.38Å; S570-A573 PolarHBondContact O-N 2.95Å; S570-A573 WeakPolarHBondContact OG-CB 3.42Å; S570-A573 PolarHBondContact OG-N 2.84Å; S570-R574 PolarHBondContact O-N 2.83Å | ||
| 571 | P | 94.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -49.4 | -43.8 | 173.4 | -32.2 | 38.7 | 0 | 0 | 0 | 113.8 | A573 R574 A575 C625 D626 | P571-A573 PolarHBondContact O-N 2.9Å; P571-R574 PolarHBondContact O-N 3.26Å; P571-A575 PolarHBondContact O-N 3.33Å; P571-C625 WeakPolarHBondContact CB-O 3.25Å; P571-C625 WeakPolarHBondContact O-CB 3.5Å; P571-D626 HydrophobicContact CB-CB 3.73Å |
| 572 | S | 95.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 177.8 | -45.1 | 0 | 0 | 0 | 0 | 113 | S570 A575 Q576 | S570-S572 PolarHBondContact O-N 2.97Å; S572-A575 WeakPolarHBondContact O-CB 3.24Å; S572-A575 PolarHBondContact O-N 2.84Å; S572-Q576 PolarHBondContact O-N 2.78Å |
| 573 | A | 96.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K569 S570 P571 Q576 S577 | K569-A573 HydrophobicContact CB-CB 4.36Å; K569-A573 HydrophobicContact CD-CB 4.48Å; S570-A573 WeakPolarHBondContact O-CB 3.38Å; S570-A573 PolarHBondContact O-N 2.95Å; S570-A573 WeakPolarHBondContact OG-CB 3.42Å; S570-A573 PolarHBondContact OG-N 2.84Å; P571-A573 PolarHBondContact O-N 2.9Å; A573-Q576 PolarHBondContact O-N 2.76Å; A573-S577 PolarHBondContact O-N 2.9Å; A573-S577 PolarHBondContact O-OG 3.02Å |
| 574 | R | 96.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 171.9 | -64.6 | -163.1 | -64.9 | -91.6 | 0.2 | 111.2 | W566 M567 K569 S570 P571 Q576 S577 L578 A673 | W566-R574 HydrophobicContact CD2-CG 4.33Å; W566-R574 HydrophobicContact CH2-CB 4.06Å; W566-R574 HydrophobicContact CH2-CG 3.88Å; W566-R574 HydrophobicContact CZ2-CB 3.8Å; W566-R574 HydrophobicContact CZ2-CG 3.55Å; W566-R574 HydrophobicContact CZ3-CG 4.4Å; M567-R574 PolarHBondContact O-NH1 3.05Å; K569-R574 HydrophobicContact CB-CG 4.1Å; K569-R574 PolarHBondContact O-NH1 3.01Å; S570-R574 PolarHBondContact O-N 2.83Å; P571-R574 PolarHBondContact O-N 3.26Å; R574-Q576 VanDerWaalsContact C-N 3.32Å; R574-Q576 PolarHBondContact O-N 2.89Å; R574-S577 WeakPolarHBondContact O-CB 3.42Å; R574-S577 PolarHBondContact O-N 3.36Å; R574-S577 VanDerWaalsContact O-N 3.16Å; R574-L578 WeakPolarHBondContact O-CD1 3.38Å; R574-L578 PolarHBondContact O-N 2.82Å; R574-A673 PolarHBondContact NE-O 2.93Å |
| 575 | A | 97.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P571 S572 S577 L578 Y579 A622 C625 | P571-A575 PolarHBondContact O-N 3.33Å; S572-A575 WeakPolarHBondContact O-CB 3.24Å; S572-A575 PolarHBondContact O-N 2.84Å; A575-S577 VanDerWaalsContact C-N 3.32Å; A575-S577 PolarHBondContact O-N 2.88Å; A575-L578 PolarHBondContact O-N 2.82Å; A575-L578 VanDerWaalsContact O-N 3.09Å; A575-Y579 HydrophobicContact CB-CE2 4.39Å; A575-Y579 VanDerWaalsContact O-CD2 3.27Å; A575-Y579 WeakPolarHBondContact O-CD2 3.46Å; A575-Y579 PolarHBondContact O-N 2.8Å; A575-A622 WeakPolarHBondContact CB-O 3.29Å; A575-C625 HydrophobicContact CB-CB 3.92Å |
| 576 | Q | 97.4 | Very high | 96.5 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 179.1 | -172.4 | 59.1 | 28.1 | 0 | 0 | 112.7 | S572 A573 R574 Y579 S580 | S572-Q576 PolarHBondContact O-N 2.78Å; A573-Q576 PolarHBondContact O-N 2.76Å; R574-Q576 VanDerWaalsContact C-N 3.32Å; R574-Q576 PolarHBondContact O-N 2.89Å; Q576-Y579 PolarHBondContact O-N 2.87Å; Q576-S580 WeakPolarHBondContact O-CB 3.1Å; Q576-S580 PolarHBondContact O-N 2.83Å; Q576-S580 PolarHBondContact O-OG 2.94Å |
| 577 | S | 97.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | A573 R574 A575 S580 L581 | A573-S577 PolarHBondContact O-N 2.9Å; A573-S577 PolarHBondContact O-OG 3.02Å; R574-S577 WeakPolarHBondContact O-CB 3.42Å; R574-S577 PolarHBondContact O-N 3.36Å; R574-S577 VanDerWaalsContact O-N 3.16Å; A575-S577 VanDerWaalsContact C-N 3.32Å; A575-S577 PolarHBondContact O-N 2.88Å; S577-S580 PolarHBondContact O-N 2.89Å; S577-L581 WeakPolarHBondContact O-CB 3.45Å; S577-L581 PolarHBondContact O-N 2.89Å |
| 578 | L | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.2 | -82.3 | 137 | 0 | 0 | 0 | 112.5 | R574 A575 S580 L581 A582 L618 W621 A622 C625 I672 A673 | R574-L578 WeakPolarHBondContact O-CD1 3.38Å; R574-L578 PolarHBondContact O-N 2.82Å; A575-L578 PolarHBondContact O-N 2.82Å; A575-L578 VanDerWaalsContact O-N 3.09Å; L578-S580 VanDerWaalsContact C-N 3.3Å; L578-S580 PolarHBondContact O-N 3.2Å; L578-L581 WeakPolarHBondContact O-CB 3.45Å; L578-L581 PolarHBondContact O-N 3.17Å; L578-A582 PolarHBondContact O-N 3.28Å; L578-L618 HydrophobicContact CD2-CD2 4.32Å; L578-W621 HydrophobicContact CD2-CB 4.11Å; L578-A622 HydrophobicContact CB-CB 3.58Å; L578-C625 WeakPolarHBondContact CD1-SG 3.49Å; L578-I672 HydrophobicContact CD1-CG1 4.41Å; L578-I672 HydrophobicContact CD2-CD1 3.86Å; L578-I672 HydrophobicContact CD2-CG1 3.94Å; L578-I672 HydrophobicContact CG-CD1 4.21Å; L578-I672 HydrophobicContact CG-CG1 4.32Å; L578-A673 HydrophobicContact CD1-CB 3.95Å |
| 579 | Y | 97.9 | Very high | 96.8 | Very high | 93 Ų | 93 | 50 Ų | 50 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 171.8 | -76.1 | -54.7 | 0 | 0 | 0 | 111.9 | A575 Q576 L581 A582 K583 N619 A622 | A575-Y579 HydrophobicContact CB-CE2 4.39Å; A575-Y579 VanDerWaalsContact O-CD2 3.27Å; A575-Y579 WeakPolarHBondContact O-CD2 3.46Å; A575-Y579 PolarHBondContact O-N 2.8Å; Q576-Y579 PolarHBondContact O-N 2.87Å; Y579-L581 VanDerWaalsContact C-N 3.33Å; Y579-A582 PolarHBondContact O-N 3.02Å; Y579-K583 WeakPolarHBondContact O-CB 3.2Å; Y579-K583 PolarHBondContact O-N 2.6Å; Y579-N619 WeakPolarHBondContact CD1-OD1 3.34Å; Y579-N619 HydrophobicContact CE1-CB 4.33Å; Y579-A622 HydrophobicContact CD1-CB 3.6Å; Y579-A622 HydrophobicContact CD2-CB 3.79Å; Y579-A622 HydrophobicContact CE1-CB 3.53Å; Y579-A622 HydrophobicContact CE2-CB 3.72Å; Y579-A622 HydrophobicContact CG-CB 3.71Å |
| 580 | S | 97.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 22% | 0.217 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | Q576 S577 L578 K583 G584 | Q576-S580 WeakPolarHBondContact O-CB 3.1Å; Q576-S580 PolarHBondContact O-N 2.83Å; Q576-S580 PolarHBondContact O-OG 2.94Å; S577-S580 PolarHBondContact O-N 2.89Å; L578-S580 VanDerWaalsContact C-N 3.3Å; L578-S580 PolarHBondContact O-N 3.2Å; S580-K583 PolarHBondContact O-N 2.86Å; S580-G584 PolarHBondContact O-N 2.87Å |
| 581 | L | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 172.6 | -173.1 | 70.5 | 0 | 0 | 0 | 112 | S577 L578 Y579 G584 L585 L618 I672 F693 V696 L697 L702 | S577-L581 WeakPolarHBondContact O-CB 3.45Å; S577-L581 PolarHBondContact O-N 2.89Å; L578-L581 WeakPolarHBondContact O-CB 3.45Å; L578-L581 PolarHBondContact O-N 3.17Å; Y579-L581 VanDerWaalsContact C-N 3.33Å; L581-G584 PolarHBondContact O-N 3.35Å; L581-L585 PolarHBondContact O-N 3.37Å; L581-L618 HydrophobicContact CD2-CD1 4.17Å; L581-L618 HydrophobicContact CD2-CD2 3.97Å; L581-L618 HydrophobicContact CG-CD1 4.1Å; L581-I672 HydrophobicContact CD2-CD1 4.48Å; L581-F693 HydrophobicContact CD1-CZ 3.95Å; L581-F693 HydrophobicContact CD2-CZ 4.08Å; L581-F693 HydrophobicContact CG-CZ 4.09Å; L581-V696 HydrophobicContact CD1-CG1 3.86Å; L581-L697 HydrophobicContact CD1-CD2 3.95Å; L581-L702 HydrophobicContact CD1-CD1 4.2Å; L581-L702 HydrophobicContact CD2-CD1 4.19Å |
| 582 | A | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L578 Y579 G584 L585 E586 V615 L618 N619 | L578-A582 PolarHBondContact O-N 3.28Å; Y579-A582 PolarHBondContact O-N 3.02Å; A582-G584 VanDerWaalsContact C-N 3.33Å; A582-G584 PolarHBondContact O-N 3.47Å; A582-L585 PolarHBondContact O-N 3.1Å; A582-E586 PolarHBondContact O-N 3.48Å; A582-V615 HydrophobicContact CB-CG1 4.45Å; A582-L618 HydrophobicContact CB-CB 3.72Å; A582-L618 HydrophobicContact CB-CD1 4.35Å; A582-N619 VanDerWaalsContact CB-OD1 3.27Å; A582-N619 WeakPolarHBondContact CB-OD1 3.42Å |
| 583 | K | 97.8 | Very high | 97 | Very high | 163 Ų | 163 | 50.6 Ų | 50.6 | 71% | 0.709 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.3 | -40 | 174.4 | -174.2 | -178.2 | 179 | -176.5 | 0 | 112 | Y579 S580 E586 S587 | Y579-K583 WeakPolarHBondContact O-CB 3.2Å; Y579-K583 PolarHBondContact O-N 2.6Å; S580-K583 PolarHBondContact O-N 2.86Å; K583-E586 PolarHBondContact O-N 2.88Å; K583-S587 WeakPolarHBondContact O-CB 3.32Å; K583-S587 PolarHBondContact O-N 3.47Å |
| 584 | G | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S580 L581 A582 S587 R588 | S580-G584 PolarHBondContact O-N 2.87Å; L581-G584 PolarHBondContact O-N 3.35Å; A582-G584 VanDerWaalsContact C-N 3.33Å; A582-G584 PolarHBondContact O-N 3.47Å; G584-S587 PolarHBondContact O-N 3.44Å; G584-S587 PolarHBondContact O-OG 3.02Å; G584-R588 PolarHBondContact O-N 2.95Å |
| 585 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.8 | -179.8 | 57.6 | 0 | 0 | 0 | 111.7 | L581 A582 S587 R588 R589 V592 V611 V615 L618 F693 V696 | L581-L585 PolarHBondContact O-N 3.37Å; A582-L585 PolarHBondContact O-N 3.1Å; L585-S587 VanDerWaalsContact C-N 3.31Å; L585-S587 PolarHBondContact O-N 3.44Å; L585-R588 CarbonylContact O-C 3.5Å; L585-R588 PolarHBondContact O-N 3.4Å; L585-R588 VanDerWaalsContact O-N 3.09Å; L585-R589 PolarHBondContact O-N 3.47Å; L585-V592 HydrophobicContact CD1-CB 4.35Å; L585-V592 HydrophobicContact CD1-CG1 4.23Å; L585-V592 HydrophobicContact CD1-CG2 3.98Å; L585-V611 HydrophobicContact CD1-CG1 4.17Å; L585-V611 HydrophobicContact CG-CG1 4.23Å; L585-V615 HydrophobicContact CB-CG2 3.99Å; L585-V615 HydrophobicContact CD2-CG2 3.66Å; L585-V615 HydrophobicContact CG-CG2 3.6Å; L585-L618 HydrophobicContact CD2-CD1 4.05Å; L585-F693 HydrophobicContact CB-CE2 4.41Å; L585-F693 HydrophobicContact CD1-CD2 4.02Å; L585-F693 HydrophobicContact CD1-CE2 4.16Å; L585-F693 HydrophobicContact CD2-CE2 4.21Å; L585-F693 HydrophobicContact CG-CE2 4.5Å; L585-V696 HydrophobicContact CB-CG1 4.13Å; L585-V696 HydrophobicContact CD1-CG2 4.17Å |
| 586 | E | 97.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 177.6 | -172.1 | 62.2 | -153.2 | 0 | 0 | 111.6 | A582 K583 R588 R589 V615 | A582-E586 PolarHBondContact O-N 3.48Å; K583-E586 PolarHBondContact O-N 2.88Å; E586-R588 PolarHBondContact O-N 3.18Å; E586-R588 VanDerWaalsContact O-N 3.16Å; E586-R589 WeakPolarHBondContact O-CB 3.43Å; E586-R589 PolarHBondContact O-N 3.43Å; E586-R589 VanDerWaalsContact O-N 3.13Å; E586-R589 WeakPolarHBondContact OE1-CD 3.41Å; E586-R589 IonicContact OE1-CZ 3.63Å; E586-R589 IonicContact OE1-NH1 2.86Å; E586-R589 PolarHBondContact OE1-NH1 3.4Å; E586-R589 IonicContact OE2-NH1 2.89Å; E586-V615 HydrophobicContact CB-CG1 4.31Å; E586-V615 HydrophobicContact CB-CG2 4.24Å; E586-V615 WeakPolarHBondContact OE2-CG2 3.37Å |
| 587 | S | 97.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -24.3 | 178.4 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | K583 G584 L585 | K583-S587 WeakPolarHBondContact O-CB 3.32Å; K583-S587 PolarHBondContact O-N 3.47Å; G584-S587 PolarHBondContact O-N 3.44Å; G584-S587 PolarHBondContact O-OG 3.02Å; L585-S587 VanDerWaalsContact C-N 3.31Å; L585-S587 PolarHBondContact O-N 3.44Å |
| 588 | R | 96.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 15.3 | 179.8 | -66.3 | 178.8 | 173.9 | -95 | 9.7 | 112.8 | G584 L585 E586 K590 E591 V592 V696 | G584-R588 PolarHBondContact O-N 2.95Å; L585-R588 CarbonylContact O-C 3.5Å; L585-R588 PolarHBondContact O-N 3.4Å; L585-R588 VanDerWaalsContact O-N 3.09Å; E586-R588 PolarHBondContact O-N 3.18Å; E586-R588 VanDerWaalsContact O-N 3.16Å; R588-K590 VanDerWaalsContact C-N 3.29Å; R588-K590 PolarHBondContact O-N 2.99Å; R588-K590 VanDerWaalsContact O-N 3.17Å; R588-E591 IonicContact NH1-OE2 3.51Å; R588-E591 PolarHBondContact NH1-OE2 3.09Å; R588-E591 PolarHBondContact O-N 3.15Å; R588-V592 HydrophobicContact CB-CG2 4.4Å; R588-V592 PolarHBondContact O-N 2.71Å; R588-V696 HydrophobicContact CB-CG2 4.36Å |
| 589 | R | 96.6 | Very high | 95.4 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -49.5 | -46.2 | -174.3 | 179.5 | 175.4 | -176.1 | 156.4 | 1.9 | 113.6 | L585 E586 E591 V592 S593 D608 V611 E612 | L585-R589 PolarHBondContact O-N 3.47Å; E586-R589 WeakPolarHBondContact O-CB 3.43Å; E586-R589 PolarHBondContact O-N 3.43Å; E586-R589 VanDerWaalsContact O-N 3.13Å; E586-R589 WeakPolarHBondContact OE1-CD 3.41Å; E586-R589 IonicContact OE1-CZ 3.63Å; E586-R589 IonicContact OE1-NH1 2.86Å; E586-R589 PolarHBondContact OE1-NH1 3.4Å; E586-R589 IonicContact OE2-NH1 2.89Å; R589-E591 PolarHBondContact O-N 3.14Å; R589-V592 PolarHBondContact O-N 3.43Å; R589-S593 WeakPolarHBondContact O-CB 3.36Å; R589-S593 PolarHBondContact O-N 3.34Å; R589-D608 WeakPolarHBondContact CG-OD1 3.41Å; R589-D608 IonicContact CZ-OD1 2.89Å; R589-D608 IonicContact CZ-OD2 3.64Å; R589-D608 IonicContact NE-OD1 2.9Å; R589-D608 PolarHBondContact NE-OD1 2.88Å; R589-D608 IonicContact NE-OD2 3.49Å; R589-D608 PolarHBondContact NE-OD2 2.96Å; R589-D608 IonicContact NH2-OD1 3.58Å; R589-D608 IonicContact NH2-OD2 3.03Å; R589-D608 PolarHBondContact NH2-OD2 3.23Å; R589-V611 HydrophobicContact CB-CG1 4.23Å; R589-V611 HydrophobicContact CG-CB 4.31Å; R589-V611 HydrophobicContact CG-CG1 3.84Å; R589-E612 IonicContact CZ-OE2 2.69Å; R589-E612 IonicContact NH2-OE2 3.69Å; R589-E612 PolarHBondContact NH2-OE2 3.29Å |
| 590 | K | 95.8 | Very high | 95 | Very high | 186 Ų | 186 | 45.8 Ų | 45.8 | 81% | 0.809 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.4 | -42 | 179.4 | -65.5 | -174.8 | 179.4 | -178.1 | 0 | 113.2 | R588 A594 | R588-K590 VanDerWaalsContact C-N 3.29Å; R588-K590 PolarHBondContact O-N 2.99Å; R588-K590 VanDerWaalsContact O-N 3.17Å; K590-A594 WeakPolarHBondContact O-CB 3.43Å; K590-A594 PolarHBondContact O-N 2.85Å |
| 591 | E | 94.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 47 Ų | 47 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 179.9 | -177.7 | -175.2 | -179.5 | 0 | 0 | 110.6 | R588 R589 A594 S595 Q695 | R588-E591 IonicContact NH1-OE2 3.51Å; R588-E591 PolarHBondContact NH1-OE2 3.09Å; R588-E591 PolarHBondContact O-N 3.15Å; R589-E591 PolarHBondContact O-N 3.14Å; E591-A594 PolarHBondContact O-N 2.8Å; E591-S595 PolarHBondContact O-N 3.44Å; E591-S595 VanDerWaalsContact O-N 3.1Å; E591-Q695 VanDerWaalsContact OE1-CD 3.31Å; E591-Q695 PolarHBondContact OE1-NE2 2.89Å; E591-Q695 PolarHBondContact OE1-OE1 3.46Å |
| 592 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -41 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | L585 R588 R589 A594 S595 V596 V611 L661 A692 | L585-V592 HydrophobicContact CD1-CB 4.35Å; L585-V592 HydrophobicContact CD1-CG1 4.23Å; L585-V592 HydrophobicContact CD1-CG2 3.98Å; R588-V592 HydrophobicContact CB-CG2 4.4Å; R588-V592 PolarHBondContact O-N 2.71Å; R589-V592 PolarHBondContact O-N 3.43Å; V592-A594 PolarHBondContact O-N 2.86Å; V592-S595 WeakPolarHBondContact O-CB 3.23Å; V592-S595 PolarHBondContact O-N 2.83Å; V592-S595 VanDerWaalsContact O-N 3.15Å; V592-V596 WeakPolarHBondContact O-CG2 3.4Å; V592-V596 PolarHBondContact O-N 2.94Å; V592-V611 HydrophobicContact CB-CG2 4.32Å; V592-V611 HydrophobicContact CG1-CG2 4.06Å; V592-L661 HydrophobicContact CG1-CD1 3.95Å; V592-L661 HydrophobicContact CG1-CD2 3.51Å; V592-L661 HydrophobicContact CG1-CG 4.36Å; V592-A692 HydrophobicContact CG2-CB 4.49Å |
| 593 | S | 96.6 | Very high | 94 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | R589 S595 V596 G597 A607 D608 | R589-S593 WeakPolarHBondContact O-CB 3.36Å; R589-S593 PolarHBondContact O-N 3.34Å; S593-S595 VanDerWaalsContact C-N 3.3Å; S593-S595 PolarHBondContact O-N 3.13Å; S593-V596 PolarHBondContact O-N 2.83Å; S593-G597 PolarHBondContact O-N 3.07Å; S593-A607 WeakPolarHBondContact O-CB 3.47Å; S593-D608 WeakPolarHBondContact OG-CA 3.43Å; S593-D608 PolarHBondContact OG-N 2.7Å; S593-D608 VanDerWaalsContact OG-N 3.16Å |
| 594 | A | 93.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | K590 E591 V592 A598 | K590-A594 WeakPolarHBondContact O-CB 3.43Å; K590-A594 PolarHBondContact O-N 2.85Å; E591-A594 PolarHBondContact O-N 2.8Å; V592-A594 PolarHBondContact O-N 2.86Å; A594-A598 WeakPolarHBondContact O-CB 3.49Å; A594-A598 PolarHBondContact O-N 3.03Å |
| 595 | S | 92.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 113 | E591 V592 S593 Q599 L688 | E591-S595 PolarHBondContact O-N 3.44Å; E591-S595 VanDerWaalsContact O-N 3.1Å; V592-S595 WeakPolarHBondContact O-CB 3.23Å; V592-S595 PolarHBondContact O-N 2.83Å; V592-S595 VanDerWaalsContact O-N 3.15Å; S593-S595 VanDerWaalsContact C-N 3.3Å; S593-S595 PolarHBondContact O-N 3.13Å; S595-Q599 WeakPolarHBondContact O-CB 3.47Å; S595-Q599 PolarHBondContact O-N 3.41Å; S595-L688 VanDerWaalsContact OG-C 3.32Å; S595-L688 WeakPolarHBondContact OG-CB 3.3Å; S595-L688 PolarHBondContact OG-O 3.1Å |
| 596 | V | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | V592 S593 Q599 L600 A607 L661 P689 | V592-V596 WeakPolarHBondContact O-CG2 3.4Å; V592-V596 PolarHBondContact O-N 2.94Å; S593-V596 PolarHBondContact O-N 2.83Å; V596-Q599 PolarHBondContact O-N 2.81Å; V596-L600 HydrophobicContact CG1-CD1 3.71Å; V596-L600 WeakPolarHBondContact O-CB 3.37Å; V596-L600 PolarHBondContact O-N 3.5Å; V596-A607 HydrophobicContact CB-CB 4.08Å; V596-A607 HydrophobicContact CG1-CB 3.86Å; V596-L661 HydrophobicContact CG2-CB 4.26Å; V596-L661 HydrophobicContact CG2-CD2 4.36Å; V596-P689 HydrophobicContact CB-CG 4.48Å; V596-P689 HydrophobicContact CG2-CB 3.88Å; V596-P689 HydrophobicContact CG2-CG 3.8Å |
| 597 | G | 92.4 | Very high | 93.3 | Very high | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | S593 Q599 G601 | S593-G597 PolarHBondContact O-N 3.07Å; G597-Q599 VanDerWaalsContact C-N 3.33Å; G597-Q599 PolarHBondContact O-N 2.89Å; G597-G601 WeakPolarHBondContact O-CA 3.28Å; G597-G601 PolarHBondContact O-N 2.93Å |
| 598 | A | 88.8 | Confident | 93.3 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A594 | A594-A598 WeakPolarHBondContact O-CB 3.49Å; A594-A598 PolarHBondContact O-N 3.03Å |
| 599 | Q | 88 | Confident | 93.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -84.4 | -37.3 | -176.1 | -176.8 | 161.1 | 47 | 0 | 0 | 113.9 | P535 L541 S595 V596 G597 R685 F686 P687 L688 | P535-Q599 VanDerWaalsContact CD-O 3.27Å; P535-Q599 WeakPolarHBondContact CD-O 3.13Å; P535-Q599 WeakPolarHBondContact CG-O 3.36Å; L541-Q599 HydrophobicContact CD1-CB 4.35Å; S595-Q599 WeakPolarHBondContact O-CB 3.47Å; S595-Q599 PolarHBondContact O-N 3.41Å; V596-Q599 PolarHBondContact O-N 2.81Å; G597-Q599 VanDerWaalsContact C-N 3.33Å; G597-Q599 PolarHBondContact O-N 2.89Å; Q599-R685 PolarHBondContact NE2-O 2.52Å; Q599-R685 VanDerWaalsContact NE2-O 3.17Å; Q599-F686 VanDerWaalsContact CD-CA 3.41Å; Q599-F686 HydrophobicContact CG-CB 4.41Å; Q599-F686 HydrophobicContact CG-CD1 3.89Å; Q599-F686 PolarHBondContact OE1-O 3.31Å; Q599-P687 VanDerWaalsContact NE2-CD 3.32Å; Q599-L688 HydrophobicContact CB-CB 4.46Å; Q599-L688 HydrophobicContact CB-CD1 4.22Å; Q599-L688 HydrophobicContact CG-CD1 4.48Å |
| 600 | L | 88.4 | Confident | 93.2 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -87.5 | -17 | -179.3 | -63.1 | 175.6 | 0 | 0 | 0 | 112.5 | P535 V596 V602 P660 F686 | P535-L600 WeakPolarHBondContact CG-O 3.2Å; V596-L600 HydrophobicContact CG1-CD1 3.71Å; V596-L600 WeakPolarHBondContact O-CB 3.37Å; V596-L600 PolarHBondContact O-N 3.5Å; L600-V602 HydrophobicContact CB-CG1 3.9Å; L600-V602 HydrophobicContact CB-CG2 4.07Å; L600-V602 PolarHBondContact O-N 3.07Å; L600-P660 HydrophobicContact CD1-CG 4.05Å; L600-P660 HydrophobicContact CD2-CG 4.21Å; L600-P660 HydrophobicContact CG-CG 4.44Å; L600-F686 HydrophobicContact CD2-CB 4.28Å; L600-F686 HydrophobicContact CD2-CD1 3.76Å; L600-F686 HydrophobicContact CD2-CD2 4.1Å; L600-F686 HydrophobicContact CD2-CE1 4.03Å; L600-F686 HydrophobicContact CD2-CE2 4.37Å; L600-F686 HydrophobicContact CD2-CG 3.77Å; L600-F686 HydrophobicContact CD2-CZ 4.32Å |
| 601 | G | 89 | Confident | 93.3 | Very high | 57 Ų | 57 | 47 Ų | 47 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | trans | 68.9 | 23.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | G597 | G597-G601 WeakPolarHBondContact O-CA 3.28Å; G597-G601 PolarHBondContact O-N 2.93Å | ||
| 602 | V | 89.8 | Confident | 93.4 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | trans | -89.7 | 154.8 | 179.8 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | L600 E606 A607 | L600-V602 HydrophobicContact CB-CG1 3.9Å; L600-V602 HydrophobicContact CB-CG2 4.07Å; L600-V602 PolarHBondContact O-N 3.07Å; V602-E606 HydrophobicContact CB-CB 4.34Å; V602-E606 HydrophobicContact CB-CG 4.34Å; V602-E606 HydrophobicContact CG2-CB 4.49Å; V602-E606 HydrophobicContact CG2-CG 4.5Å; V602-A607 HydrophobicContact CG2-CB 4.06Å | ||
| 603 | P | 93.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | trans | -56.1 | 149.3 | 174.8 | -23.7 | 34.2 | 0 | 0 | 0 | 112.3 | E605 E606 A607 | P603-E605 PolarHBondContact O-N 3.36Å; P603-E605 VanDerWaalsContact O-N 3.16Å; P603-E606 PolarHBondContact O-N 3.44Å; P603-A607 PolarHBondContact O-N 3.49Å | ||
| 604 | A | 93.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.4 | -34.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D608 | A604-D608 VanDerWaalsContact O-CB 3.3Å; A604-D608 WeakPolarHBondContact O-CB 3.43Å; A604-D608 PolarHBondContact O-N 2.97Å |
| 605 | E | 95.2 | Very high | 93.8 | Very high | 172 Ų | 172 | 48 Ų | 48 | 80% | 0.804 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 175.3 | -64.1 | -177.7 | 174.2 | 0 | 0 | 112.3 | P603 R609 | P603-E605 PolarHBondContact O-N 3.36Å; P603-E605 VanDerWaalsContact O-N 3.16Å; E605-R609 VanDerWaalsContact O-CB 3.27Å; E605-R609 WeakPolarHBondContact O-CB 3.34Å; E605-R609 PolarHBondContact O-N 3.45Å |
| 606 | E | 93.5 | Very high | 93.9 | Very high | 88 Ų | 88 | 49 Ų | 49 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | 178.9 | -178.5 | 163.6 | -156.3 | 0 | 0 | 111.7 | V602 P603 R609 E610 | V602-E606 HydrophobicContact CB-CB 4.34Å; V602-E606 HydrophobicContact CB-CG 4.34Å; V602-E606 HydrophobicContact CG2-CB 4.49Å; V602-E606 HydrophobicContact CG2-CG 4.5Å; P603-E606 PolarHBondContact O-N 3.44Å; E606-R609 WeakPolarHBondContact O-CB 3.37Å; E606-R609 PolarHBondContact O-N 3.26Å; E606-R609 IonicContact OE1-NH2 3.95Å; E606-R609 PolarHBondContact OE1-NH2 3.32Å; E606-E610 PolarHBondContact O-N 2.84Å |
| 607 | A | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | S593 V596 V602 P603 E610 V611 | S593-A607 WeakPolarHBondContact O-CB 3.47Å; V596-A607 HydrophobicContact CB-CB 4.08Å; V596-A607 HydrophobicContact CG1-CB 3.86Å; V602-A607 HydrophobicContact CG2-CB 4.06Å; P603-A607 PolarHBondContact O-N 3.49Å; A607-E610 PolarHBondContact O-N 3.33Å; A607-V611 PolarHBondContact O-N 3.07Å |
| 608 | D | 96.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.1 | -170.9 | 72.1 | 0 | 0 | 0 | 112 | R589 S593 A604 E610 V611 E612 | R589-D608 WeakPolarHBondContact CG-OD1 3.41Å; R589-D608 IonicContact CZ-OD1 2.89Å; R589-D608 IonicContact CZ-OD2 3.64Å; R589-D608 IonicContact NE-OD1 2.9Å; R589-D608 PolarHBondContact NE-OD1 2.88Å; R589-D608 IonicContact NE-OD2 3.49Å; R589-D608 PolarHBondContact NE-OD2 2.96Å; R589-D608 IonicContact NH2-OD1 3.58Å; R589-D608 IonicContact NH2-OD2 3.03Å; R589-D608 PolarHBondContact NH2-OD2 3.23Å; S593-D608 WeakPolarHBondContact OG-CA 3.43Å; S593-D608 PolarHBondContact OG-N 2.7Å; S593-D608 VanDerWaalsContact OG-N 3.16Å; A604-D608 VanDerWaalsContact O-CB 3.3Å; A604-D608 WeakPolarHBondContact O-CB 3.43Å; A604-D608 PolarHBondContact O-N 2.97Å; D608-E610 VanDerWaalsContact C-N 3.31Å; D608-E610 PolarHBondContact O-N 2.92Å; D608-V611 PolarHBondContact O-N 3.17Å; D608-V611 VanDerWaalsContact O-N 3.15Å; D608-E612 PolarHBondContact O-N 3.29Å |
| 609 | R | 95.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 49 Ų | 49 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 173.5 | -175 | -179.2 | 68.2 | 95.8 | -0.9 | 112 | E605 E606 V611 E612 L613 | E605-R609 VanDerWaalsContact O-CB 3.27Å; E605-R609 WeakPolarHBondContact O-CB 3.34Å; E605-R609 PolarHBondContact O-N 3.45Å; E606-R609 WeakPolarHBondContact O-CB 3.37Å; E606-R609 PolarHBondContact O-N 3.26Å; E606-R609 IonicContact OE1-NH2 3.95Å; E606-R609 PolarHBondContact OE1-NH2 3.32Å; R609-V611 VanDerWaalsContact C-N 3.34Å; R609-E612 PolarHBondContact O-N 3.01Å; R609-L613 HydrophobicContact CG-CD1 4.19Å; R609-L613 WeakPolarHBondContact O-CB 3.37Å; R609-L613 VanDerWaalsContact O-CG 3.25Å; R609-L613 WeakPolarHBondContact O-CG 3.31Å; R609-L613 PolarHBondContact O-N 3.1Å |
| 610 | E | 95.7 | Very high | 95 | Very high | 19 Ų | 19 | 52 Ų | 52 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.6 | -170.6 | 178.2 | 159.7 | 0 | 0 | 111.7 | E606 A607 D608 S614 A659 L661 L662 | E606-E610 PolarHBondContact O-N 2.84Å; A607-E610 PolarHBondContact O-N 3.33Å; D608-E610 VanDerWaalsContact C-N 3.31Å; D608-E610 PolarHBondContact O-N 2.92Å; E610-S614 WeakPolarHBondContact O-CB 3.29Å; E610-S614 PolarHBondContact O-N 3.09Å; E610-S614 PolarHBondContact O-OG 3.4Å; E610-A659 VanDerWaalsContact OE1-CA 3.32Å; E610-A659 WeakPolarHBondContact OE1-CA 3.32Å; E610-L661 HydrophobicContact CG-CB 4.45Å; E610-L661 WeakPolarHBondContact OE1-CA 3.23Å; E610-L661 WeakPolarHBondContact OE1-CB 3.23Å; E610-L661 PolarHBondContact OE1-N 3.03Å; E610-L662 HydrophobicContact CG-CB 3.73Å; E610-L662 PolarHBondContact OE1-N 2.7Å |
| 611 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | L585 R589 V592 A607 D608 R609 L613 S614 V615 L661 | L585-V611 HydrophobicContact CD1-CG1 4.17Å; L585-V611 HydrophobicContact CG-CG1 4.23Å; R589-V611 HydrophobicContact CB-CG1 4.23Å; R589-V611 HydrophobicContact CG-CB 4.31Å; R589-V611 HydrophobicContact CG-CG1 3.84Å; V592-V611 HydrophobicContact CB-CG2 4.32Å; V592-V611 HydrophobicContact CG1-CG2 4.06Å; A607-V611 PolarHBondContact O-N 3.07Å; D608-V611 PolarHBondContact O-N 3.17Å; D608-V611 VanDerWaalsContact O-N 3.15Å; R609-V611 VanDerWaalsContact C-N 3.34Å; V611-L613 PolarHBondContact O-N 3.27Å; V611-S614 WeakPolarHBondContact O-CA 3.47Å; V611-S614 VanDerWaalsContact O-CB 3.28Å; V611-S614 WeakPolarHBondContact O-CB 3.5Å; V611-S614 PolarHBondContact O-N 2.91Å; V611-S614 VanDerWaalsContact O-N 3.07Å; V611-V615 WeakPolarHBondContact O-CG2 3.29Å; V611-V615 PolarHBondContact O-N 2.82Å; V611-L661 HydrophobicContact CB-CD2 4.25Å; V611-L661 HydrophobicContact CG1-CD2 4.43Å; V611-L661 HydrophobicContact CG2-CD2 3.71Å |
| 612 | E | 97.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 176.5 | -167.1 | 178 | 142.5 | 0 | 0 | 111.8 | R589 D608 R609 S614 V615 G616 | R589-E612 IonicContact CZ-OE2 2.69Å; R589-E612 IonicContact NH2-OE2 3.69Å; R589-E612 PolarHBondContact NH2-OE2 3.29Å; D608-E612 PolarHBondContact O-N 3.29Å; R609-E612 PolarHBondContact O-N 3.01Å; E612-S614 PolarHBondContact O-N 3.26Å; E612-V615 PolarHBondContact O-N 2.88Å; E612-G616 PolarHBondContact O-N 3.05Å |
| 613 | L | 96.8 | Very high | 96 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 176.3 | -70.3 | 170.2 | 0 | 0 | 0 | 111.3 | R609 V611 G616 R617 L662 A771 | R609-L613 HydrophobicContact CG-CD1 4.19Å; R609-L613 WeakPolarHBondContact O-CB 3.37Å; R609-L613 VanDerWaalsContact O-CG 3.25Å; R609-L613 WeakPolarHBondContact O-CG 3.31Å; R609-L613 PolarHBondContact O-N 3.1Å; V611-L613 PolarHBondContact O-N 3.27Å; L613-G616 PolarHBondContact O-N 3.16Å; L613-R617 VanDerWaalsContact O-CB 3.31Å; L613-R617 WeakPolarHBondContact O-CB 3.43Å; L613-R617 PolarHBondContact O-N 3.09Å; L613-L662 HydrophobicContact CB-CD1 3.85Å; L613-L662 HydrophobicContact CB-CD2 3.87Å; L613-L662 HydrophobicContact CB-CG 4.49Å; L613-L662 HydrophobicContact CD1-CD2 4.01Å; L613-A771 HydrophobicContact CD1-CB 3.83Å |
| 614 | S | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 112 | E610 V611 E612 R617 L618 L662 | E610-S614 WeakPolarHBondContact O-CB 3.29Å; E610-S614 PolarHBondContact O-N 3.09Å; E610-S614 PolarHBondContact O-OG 3.4Å; V611-S614 WeakPolarHBondContact O-CA 3.47Å; V611-S614 VanDerWaalsContact O-CB 3.28Å; V611-S614 WeakPolarHBondContact O-CB 3.5Å; V611-S614 PolarHBondContact O-N 2.91Å; V611-S614 VanDerWaalsContact O-N 3.07Å; E612-S614 PolarHBondContact O-N 3.26Å; S614-R617 PolarHBondContact O-N 3.38Å; S614-L618 PolarHBondContact O-N 2.97Å; S614-L662 VanDerWaalsContact OG-CA 3.28Å; S614-L662 WeakPolarHBondContact OG-CA 3.25Å; S614-L662 PolarHBondContact OG-N 2.86Å |
| 615 | V | 98.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | A582 L585 E586 V611 E612 R617 L618 N619 | A582-V615 HydrophobicContact CB-CG1 4.45Å; L585-V615 HydrophobicContact CB-CG2 3.99Å; L585-V615 HydrophobicContact CD2-CG2 3.66Å; L585-V615 HydrophobicContact CG-CG2 3.6Å; E586-V615 HydrophobicContact CB-CG1 4.31Å; E586-V615 HydrophobicContact CB-CG2 4.24Å; E586-V615 WeakPolarHBondContact OE2-CG2 3.37Å; V611-V615 WeakPolarHBondContact O-CG2 3.29Å; V611-V615 PolarHBondContact O-N 2.82Å; E612-V615 PolarHBondContact O-N 2.88Å; V615-R617 VanDerWaalsContact C-N 3.28Å; V615-R617 PolarHBondContact O-N 3.45Å; V615-L618 PolarHBondContact O-N 3.13Å; V615-N619 PolarHBondContact O-N 3.39Å; V615-N619 VanDerWaalsContact O-N 3.07Å; V615-N619 PolarHBondContact O-ND2 2.92Å |
| 616 | G | 96.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.7 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E612 L613 N619 V620 | E612-G616 PolarHBondContact O-N 3.05Å; L613-G616 PolarHBondContact O-N 3.16Å; G616-N619 WeakPolarHBondContact O-CB 3.36Å; G616-N619 PolarHBondContact O-N 2.64Å; G616-V620 WeakPolarHBondContact O-CG2 3.16Å; G616-V620 PolarHBondContact O-N 3.21Å |
| 617 | R | 96 | Very high | 95.5 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 178.9 | -172.1 | 70.6 | 66.6 | -161.7 | -3.5 | 112.8 | L613 S614 V615 N619 V620 W621 L662 V665 T666 W770 P773 M778 | L613-R617 VanDerWaalsContact O-CB 3.31Å; L613-R617 WeakPolarHBondContact O-CB 3.43Å; L613-R617 PolarHBondContact O-N 3.09Å; S614-R617 PolarHBondContact O-N 3.38Å; V615-R617 VanDerWaalsContact C-N 3.28Å; V615-R617 PolarHBondContact O-N 3.45Å; R617-N619 VanDerWaalsContact C-N 3.31Å; R617-N619 PolarHBondContact O-N 2.8Å; R617-V620 PolarHBondContact O-N 2.95Å; R617-W621 PolarHBondContact O-N 3.27Å; R617-L662 HydrophobicContact CB-CD1 4.34Å; R617-V665 HydrophobicContact CB-CG2 4.43Å; R617-T666 HydrophobicContact CG-CG2 4.32Å; R617-T666 WeakPolarHBondContact CG-OG1 3.22Å; R617-T666 PolarHBondContact NE-OG1 2.72Å; R617-W770 PolarHBondContact NH2-O 3.07Å; R617-P773 VanDerWaalsContact NH1-CB 3.27Å; R617-M778 PolarHBondContact NH1-SD 2.92Å |
| 618 | L | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.4 | -72.1 | 175.2 | 0 | 0 | 0 | 111.6 | L578 L581 A582 L585 S614 V615 V620 W621 A622 V665 | L578-L618 HydrophobicContact CD2-CD2 4.32Å; L581-L618 HydrophobicContact CD2-CD1 4.17Å; L581-L618 HydrophobicContact CD2-CD2 3.97Å; L581-L618 HydrophobicContact CG-CD1 4.1Å; A582-L618 HydrophobicContact CB-CB 3.72Å; A582-L618 HydrophobicContact CB-CD1 4.35Å; L585-L618 HydrophobicContact CD2-CD1 4.05Å; S614-L618 PolarHBondContact O-N 2.97Å; V615-L618 PolarHBondContact O-N 3.13Å; L618-V620 VanDerWaalsContact C-N 3.34Å; L618-V620 PolarHBondContact O-N 3.39Å; L618-W621 PolarHBondContact O-N 3.24Å; L618-A622 WeakPolarHBondContact O-CB 3.39Å; L618-A622 PolarHBondContact O-N 2.97Å; L618-V665 HydrophobicContact CD1-CG1 4.46Å; L618-V665 HydrophobicContact CD2-CB 4.11Å; L618-V665 HydrophobicContact CG-CB 4.17Å |
| 619 | N | 97.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 33% | 0.326 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 174.6 | -71.4 | -36.2 | 0 | 0 | 0 | 112.3 | Y579 A582 V615 G616 R617 A622 A623 | Y579-N619 WeakPolarHBondContact CD1-OD1 3.34Å; Y579-N619 HydrophobicContact CE1-CB 4.33Å; A582-N619 VanDerWaalsContact CB-OD1 3.27Å; A582-N619 WeakPolarHBondContact CB-OD1 3.42Å; V615-N619 PolarHBondContact O-N 3.39Å; V615-N619 VanDerWaalsContact O-N 3.07Å; V615-N619 PolarHBondContact O-ND2 2.92Å; G616-N619 WeakPolarHBondContact O-CB 3.36Å; G616-N619 PolarHBondContact O-N 2.64Å; R617-N619 VanDerWaalsContact C-N 3.31Å; R617-N619 PolarHBondContact O-N 2.8Å; N619-A622 PolarHBondContact O-N 3.36Å; N619-A623 WeakPolarHBondContact O-CB 3.42Å; N619-A623 PolarHBondContact O-N 2.94Å |
| 620 | V | 95.4 | Very high | 93 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 38% | 0.376 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -46 | 173.5 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | G616 R617 L618 A622 A623 Y624 | G616-V620 WeakPolarHBondContact O-CG2 3.16Å; G616-V620 PolarHBondContact O-N 3.21Å; R617-V620 PolarHBondContact O-N 2.95Å; L618-V620 VanDerWaalsContact C-N 3.34Å; L618-V620 PolarHBondContact O-N 3.39Å; V620-A622 PolarHBondContact O-N 2.97Å; V620-A623 WeakPolarHBondContact O-CB 3.46Å; V620-A623 PolarHBondContact O-N 3.28Å; V620-Y624 PolarHBondContact O-N 2.86Å |
| 621 | W | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.6 | -77.9 | 124.5 | 0 | 0 | 0 | 113.3 | L578 R617 L618 A623 Y624 C625 T666 A670 A673 M778 L781 W782 | L578-W621 HydrophobicContact CD2-CB 4.11Å; R617-W621 PolarHBondContact O-N 3.27Å; L618-W621 PolarHBondContact O-N 3.24Å; W621-A623 VanDerWaalsContact C-N 3.32Å; W621-Y624 HydrophobicContact CE3-CD1 4.3Å; W621-Y624 HydrophobicContact CE3-CG 4.24Å; W621-Y624 AromaticContact CZ3-CD1 3.89Å; W621-Y624 HydrophobicContact CZ3-CD1 3.89Å; W621-Y624 HydrophobicContact CZ3-CE1 4.39Å; W621-Y624 HydrophobicContact CZ3-CG 4.22Å; W621-Y624 WeakPolarHBondContact O-CB 3.37Å; W621-Y624 PolarHBondContact O-N 2.82Å; W621-Y624 VanDerWaalsContact O-N 3.14Å; W621-C625 PolarHBondContact O-N 2.92Å; W621-C625 PolarHBondContact O-SG 3.09Å; W621-C625 VanDerWaalsContact O-SG 3.39Å; W621-T666 PolarHBondContact NE1-O 3.42Å; W621-A670 HydrophobicContact CD2-CB 4.43Å; W621-A670 HydrophobicContact CH2-CB 3.54Å; W621-A670 HydrophobicContact CZ2-CB 3.39Å; W621-A670 HydrophobicContact CZ3-CB 4.13Å; W621-A673 HydrophobicContact CE3-CB 4.38Å; W621-M778 HydrophobicContact CH2-CB 4.43Å; W621-M778 WeakPolarHBondContact CH2-O 3.49Å; W621-M778 HydrophobicContact CZ2-SD 3.86Å; W621-L781 HydrophobicContact CH2-CB 4.04Å; W621-L781 HydrophobicContact CZ2-CB 4.06Å; W621-L781 HydrophobicContact CZ2-CD1 4.18Å; W621-W782 HydrophobicContact CH2-CB 4.2Å; W621-W782 HydrophobicContact CZ3-CB 4.12Å |
| 622 | A | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A575 L578 Y579 L618 N619 V620 Y624 C625 | A575-A622 WeakPolarHBondContact CB-O 3.29Å; L578-A622 HydrophobicContact CB-CB 3.58Å; Y579-A622 HydrophobicContact CD1-CB 3.6Å; Y579-A622 HydrophobicContact CD2-CB 3.79Å; Y579-A622 HydrophobicContact CE1-CB 3.53Å; Y579-A622 HydrophobicContact CE2-CB 3.72Å; Y579-A622 HydrophobicContact CG-CB 3.71Å; L618-A622 WeakPolarHBondContact O-CB 3.39Å; L618-A622 PolarHBondContact O-N 2.97Å; N619-A622 PolarHBondContact O-N 3.36Å; V620-A622 PolarHBondContact O-N 2.97Å; A622-Y624 VanDerWaalsContact C-N 3.26Å; A622-Y624 PolarHBondContact O-N 3.27Å; A622-C625 PolarHBondContact O-N 2.91Å |
| 623 | A | 94.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -29.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N619 V620 W621 K627 | N619-A623 WeakPolarHBondContact O-CB 3.42Å; N619-A623 PolarHBondContact O-N 2.94Å; V620-A623 WeakPolarHBondContact O-CB 3.46Å; V620-A623 PolarHBondContact O-N 3.28Å; W621-A623 VanDerWaalsContact C-N 3.32Å; A623-K627 WeakPolarHBondContact O-CG 3.19Å |
| 624 | Y | 92.6 | Very high | 91.1 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.4 | -28.3 | -178.6 | -133.1 | -106.9 | 0 | 0 | 0 | 113.3 | V620 W621 A622 D626 K627 V628 W782 | V620-Y624 PolarHBondContact O-N 2.86Å; W621-Y624 HydrophobicContact CE3-CD1 4.3Å; W621-Y624 HydrophobicContact CE3-CG 4.24Å; W621-Y624 AromaticContact CZ3-CD1 3.89Å; W621-Y624 HydrophobicContact CZ3-CD1 3.89Å; W621-Y624 HydrophobicContact CZ3-CE1 4.39Å; W621-Y624 HydrophobicContact CZ3-CG 4.22Å; W621-Y624 WeakPolarHBondContact O-CB 3.37Å; W621-Y624 PolarHBondContact O-N 2.82Å; W621-Y624 VanDerWaalsContact O-N 3.14Å; A622-Y624 VanDerWaalsContact C-N 3.26Å; A622-Y624 PolarHBondContact O-N 3.27Å; Y624-D626 VanDerWaalsContact C-N 3.27Å; Y624-D626 PolarHBondContact O-N 2.71Å; Y624-D626 VanDerWaalsContact O-N 3.13Å; Y624-K627 PolarHBondContact O-N 3.3Å; Y624-V628 HydrophobicContact CD1-CB 4.38Å; Y624-V628 HydrophobicContact CD1-CG2 3.64Å; Y624-V628 HydrophobicContact CE1-CB 4.17Å; Y624-V628 HydrophobicContact CE1-CG2 3.24Å; Y624-V628 HydrophobicContact CE2-CG2 4.25Å; Y624-V628 HydrophobicContact CG-CG2 4.31Å; Y624-W782 HydrophobicContact CD1-CB 4.49Å; Y624-W782 AromaticContact CD1-CD1 3.69Å; Y624-W782 HydrophobicContact CD1-CG 4.14Å; Y624-W782 HydrophobicContact CE1-CB 4Å; Y624-W782 AromaticContact CE1-CD1 3.83Å; Y624-W782 HydrophobicContact CE1-CD2 4.47Å; Y624-W782 AromaticContact CE1-CG 3.82Å; Y624-W782 HydrophobicContact CE1-CG 3.82Å |
| 625 | C | 93.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.081 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -44.1 | -170.8 | -75.5 | 0 | 0 | 0 | 0 | 114.1 | P571 A575 L578 W621 A622 A673 | P571-C625 WeakPolarHBondContact CB-O 3.25Å; P571-C625 WeakPolarHBondContact O-CB 3.5Å; A575-C625 HydrophobicContact CB-CB 3.92Å; L578-C625 WeakPolarHBondContact CD1-SG 3.49Å; W621-C625 PolarHBondContact O-N 2.92Å; W621-C625 PolarHBondContact O-SG 3.09Å; W621-C625 VanDerWaalsContact O-SG 3.39Å; A622-C625 PolarHBondContact O-N 2.91Å; C625-A673 VanDerWaalsContact SG-CB 3.53Å |
| 626 | D | 89.9 | Confident | 88.9 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 3.6 | -173 | 67.9 | -22.3 | 0 | 0 | 0 | 113.8 | P571 Y624 Q629 | P571-D626 HydrophobicContact CB-CB 3.73Å; Y624-D626 VanDerWaalsContact C-N 3.27Å; Y624-D626 PolarHBondContact O-N 2.71Å; Y624-D626 VanDerWaalsContact O-N 3.13Å; D626-Q629 PolarHBondContact O-NE2 3.21Å |
| 627 | K | 90.1 | Very high | 87.7 | Confident | 137 Ų | 137 | 53.2 Ų | 53.2 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -32 | -176.5 | -60.4 | -64 | 177.9 | -69 | 0 | 113.8 | A623 Y624 | A623-K627 WeakPolarHBondContact O-CG 3.19Å; Y624-K627 PolarHBondContact O-N 3.3Å |
| 628 | V | 77.6 | Confident | 86.7 | Confident | 43 Ų | 43 | 57 Ų | 57 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -98.8 | 123.4 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | Y624 W782 | Y624-V628 HydrophobicContact CD1-CB 4.38Å; Y624-V628 HydrophobicContact CD1-CG2 3.64Å; Y624-V628 HydrophobicContact CE1-CB 4.17Å; Y624-V628 HydrophobicContact CE1-CG2 3.24Å; Y624-V628 HydrophobicContact CE2-CG2 4.25Å; Y624-V628 HydrophobicContact CG-CG2 4.31Å; V628-W782 HydrophobicContact CB-CZ2 3.94Å; V628-W782 HydrophobicContact CG1-CD2 4.03Å; V628-W782 HydrophobicContact CG1-CE3 4.11Å; V628-W782 HydrophobicContact CG1-CH2 3.45Å; V628-W782 VanDerWaalsContact CG1-CH2 3.45Å; V628-W782 HydrophobicContact CG1-CZ2 3.29Å; V628-W782 HydrophobicContact CG1-CZ3 3.85Å |
| 629 | Q | 74.8 | Confident | 86.1 | Confident | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | trans | -132.7 | 165.9 | -170.8 | -59.3 | -173.3 | 10.7 | 0 | 0 | 111 | D626 | D626-Q629 PolarHBondContact O-NE2 3.21Š| ||
| 630 | G | 82 | Confident | 85.7 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | trans | -68.1 | -177.7 | 161 | 0 | 0 | 0 | 0 | 0 | 112.5 | S643 | G630-S643 CarbonylContact C-O 3.6Å; G630-S643 WeakPolarHBondContact CA-O 3.39Å | ||
| 631 | G | 87.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -152.9 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P633 S643 | G631-P633 WeakPolarHBondContact O-CD 3.39Å; G631-S643 PolarHBondContact N-O 3.42Å; G631-S643 PolarHBondContact O-N 3.16Å |
| 632 | S | 89.1 | Confident | 85.3 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 57% | 0.573 | 34% | 0.339 | S | S | * | . | trans | -104.6 | 103.7 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | A641 | S632-A641 VanDerWaalsContact CA-O 3.27Å; S632-A641 WeakPolarHBondContact CA-O 3.39Å; S632-A641 PolarHBondContact OG-O 3.16Å; S632-A641 VanDerWaalsContact OG-O 3.12Å | ||
| 633 | P | 86.3 | Confident | 85.2 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -57.3 | 141.2 | 172.9 | -25.4 | 34.9 | 0 | 0 | 0 | 111.8 | C446 G631 M635 A641 | C446-P633 HydrophobicContact CB-CB 4.29Å; C446-P633 WeakPolarHBondContact O-CB 3.4Å; G631-P633 WeakPolarHBondContact O-CD 3.39Å; P633-M635 PolarHBondContact O-N 2.79Å; P633-A641 HydrophobicContact CB-CB 4.3Å; P633-A641 WeakPolarHBondContact CD-O 3.4Å; P633-A641 HydrophobicContact CG-CB 4.19Å | ||
| 634 | P | 84.1 | Confident | 85 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | trans | -77.7 | 87.4 | 178.4 | 31.4 | -33.8 | 0 | 0 | 0 | 110.3 | C446 | C446-P634 PolarHBondContact SG-O 2.96Š| ||
| 635 | M | 80.1 | Confident | 85 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | trans | -65.8 | 145.1 | 177.8 | -64.2 | -62 | -66.9 | 0 | 0 | 111.3 | V442 D444 F447 P633 A641 | V442-M635 HydrophobicContact CG1-CE 4.1Å; D444-M635 HydrophobicContact CB-CE 3.87Å; D444-M635 HydrophobicContact CB-SD 4.31Å; F447-M635 HydrophobicContact CB-SD 4.34Å; F447-M635 HydrophobicContact CD2-SD 4.19Å; P633-M635 PolarHBondContact O-N 2.79Å; M635-A641 HydrophobicContact CG-CB 3.57Å; M635-A641 HydrophobicContact SD-CB 3.74Å | ||
| 636 | T | 70.2 | Confident | 85 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -94.2 | -25.3 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | R136 D444 | R136-T636 VanDerWaalsContact CZ-CG2 3.42Å; D444-T636 PolarHBondContact OD2-OG1 2.98Å |
| 637 | Q | 70.8 | Confident | 85.3 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -89 | 157.1 | 174.5 | -63.5 | -179.3 | -8.1 | 0 | 0 | 109.6 | G639 | Q637-G639 PolarHBondContact O-N 3.31Š|
| 638 | S | 75.9 | Confident | 85.5 | Confident | 90 Ų | 90 | 50 Ų | 50 | 63% | 0.629 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -50.4 | 138.7 | 170.5 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | W792 | S638-W792 VanDerWaalsContact O-CZ2 3.26Å; S638-W792 WeakPolarHBondContact O-CZ2 3.34Å |
| 639 | G | 84.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 115.2 | 160.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q637 I793 T795 | Q637-G639 PolarHBondContact O-N 3.31Å; G639-I793 CarbonylContact C-O 3.6Å; G639-I793 VanDerWaalsContact CA-O 3.29Å; G639-I793 WeakPolarHBondContact CA-O 3.17Å; G639-T795 VanDerWaalsContact CA-OG1 3.25Å; G639-T795 WeakPolarHBondContact CA-OG1 3.28Å; G639-T795 PolarHBondContact N-O 2.82Å |
| 640 | A | 88.7 | Confident | 87.5 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W792 I793 T795 | A640-W792 WeakPolarHBondContact O-CA 3.48Å; A640-I793 PolarHBondContact N-O 3.22Å; A640-I793 PolarHBondContact O-N 2.81Å; A640-T795 HydrophobicContact CB-CG2 3.78Å; A640-T795 PolarHBondContact N-OG1 3.48Å |
| 641 | A | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F447 S632 P633 M635 V791 | F447-A641 HydrophobicContact CD2-CB 3.56Å; F447-A641 HydrophobicContact CE2-CB 3.66Å; S632-A641 VanDerWaalsContact CA-O 3.27Å; S632-A641 WeakPolarHBondContact CA-O 3.39Å; S632-A641 PolarHBondContact OG-O 3.16Å; S632-A641 VanDerWaalsContact OG-O 3.12Å; P633-A641 HydrophobicContact CB-CB 4.3Å; P633-A641 WeakPolarHBondContact CD-O 3.4Å; P633-A641 HydrophobicContact CG-CB 4.19Å; M635-A641 HydrophobicContact CG-CB 3.57Å; M635-A641 HydrophobicContact SD-CB 3.74Å; A641-V791 CarbonylContact C-O 3.57Å; A641-V791 WeakPolarHBondContact CA-O 3.45Å |
| 642 | L | 92.6 | Very high | 88.8 | Confident | 70 Ų | 70 | 38.3 Ų | 38.3 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.1 | 169.5 | -60.1 | 175.6 | 0 | 0 | 0 | 107.4 | L424 S790 V791 I793 | L424-L642 HydrophobicContact CD2-CD1 4.37Å; L642-S790 CarbonylContact O-C 3.5Å; L642-S790 VanDerWaalsContact O-CA 3.26Å; L642-S790 WeakPolarHBondContact O-CA 3.2Å; L642-V791 PolarHBondContact N-O 3.22Å; L642-V791 PolarHBondContact O-N 3.43Å; L642-I793 HydrophobicContact CD1-CD1 4.06Å |
| 643 | S | 92.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.8 | 172.4 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | P448 G630 G631 K789 S790 | P448-S643 WeakPolarHBondContact CG-OG 3.3Å; G630-S643 CarbonylContact C-O 3.6Å; G630-S643 WeakPolarHBondContact CA-O 3.39Å; G631-S643 PolarHBondContact N-O 3.42Å; G631-S643 PolarHBondContact O-N 3.16Å; S643-K789 CarbonylContact C-O 3.55Å; S643-K789 WeakPolarHBondContact CA-O 3.3Å; S643-K789 PolarHBondContact OG-O 2.96Å; S643-S790 PolarHBondContact OG-OG 3.38Å; S643-S790 VanDerWaalsContact OG-OG 3.12Å |
| 644 | F | 90.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.2 | 179.7 | 47.8 | -91.1 | 0 | 0 | 0 | 112.6 | E646 K789 V791 | F644-E646 HydrophobicContact CD2-CG 3.98Å; F644-E646 HydrophobicContact CE2-CG 4.07Å; F644-E646 WeakPolarHBondContact CE2-OE1 3.36Å; F644-K789 HydrophobicContact CD2-CB 4.34Å; F644-K789 HydrophobicContact CE2-CB 3.99Å; F644-K789 HydrophobicContact CE2-CD 3.76Å; F644-K789 HydrophobicContact CE2-CG 4.17Å; F644-K789 HydrophobicContact CZ-CB 4.35Å; F644-K789 HydrophobicContact CZ-CD 3.7Å; F644-K789 HydrophobicContact CZ-CG 4.1Å; F644-K789 PolarHBondContact N-O 3.45Å; F644-K789 PolarHBondContact O-N 3.46Å; F644-V791 HydrophobicContact CE1-CG2 3.69Å; F644-V791 HydrophobicContact CZ-CG2 3.87Å |
| 645 | P | 93.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 29 Ų | 29 | 21% | 0.214 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.5 | 176.2 | 31.1 | -33.5 | 0 | 0 | 0 | 110.3 | W782 V786 W788 | P645-W782 HydrophobicContact CB-CH2 3.93Å; P645-W782 HydrophobicContact CB-CZ2 3.96Å; P645-W782 HydrophobicContact CG-CH2 3.96Å; P645-W782 HydrophobicContact CG-CZ2 3.79Å; P645-V786 HydrophobicContact CB-CB 3.84Å; P645-V786 HydrophobicContact CB-CG1 4.01Å; P645-V786 HydrophobicContact CB-CG2 3.84Å; P645-W788 HydrophobicContact CB-CH2 4.37Å; P645-W788 HydrophobicContact CB-CZ2 4.44Å; P645-W788 HydrophobicContact CB-CZ3 4.42Å; P645-W788 HydrophobicContact CG-CH2 4.44Å; P645-W788 HydrophobicContact CG-CZ3 4.48Å |
| 646 | E | 93.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 27.6 Ų | 27.6 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.9 | 172.2 | -62 | -161.7 | 142.8 | 0 | 0 | 110.5 | H452 F644 V786 Q787 K789 | H452-E646 IonicContact NE2-OE2 3.93Å; F644-E646 HydrophobicContact CD2-CG 3.98Å; F644-E646 HydrophobicContact CE2-CG 4.07Å; F644-E646 WeakPolarHBondContact CE2-OE1 3.36Å; E646-V786 CarbonylContact O-C 3.52Å; E646-V786 WeakPolarHBondContact O-CA 3.49Å; E646-V786 WeakPolarHBondContact O-CB 3.27Å; E646-Q787 HydrophobicContact CB-CG 4.26Å; E646-Q787 PolarHBondContact N-O 3.39Å; E646-Q787 PolarHBondContact O-N 3.09Å; E646-K789 VanDerWaalsContact CD-CE 3.41Å; E646-K789 HydrophobicContact CG-CB 4.14Å; E646-K789 VanDerWaalsContact OE1-CE 3.29Å; E646-K789 WeakPolarHBondContact OE1-CE 3.47Å; E646-K789 IonicContact OE1-NZ 3.63Å; E646-K789 PolarHBondContact OE1-NZ 2.77Å; E646-K789 WeakPolarHBondContact OE2-CE 3.45Å; E646-K789 IonicContact OE2-NZ 3.44Å; E646-K789 PolarHBondContact OE2-NZ 2.76Å |
| 647 | P | 94.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.6 | 172.1 | 22.2 | -28.2 | 0 | 0 | 0 | 111.1 | M567 G649 T674 N676 | M567-P647 HydrophobicContact CB-CG 4.2Å; M567-P647 HydrophobicContact CE-CG 3.97Å; M567-P647 HydrophobicContact CG-CG 3.61Å; M567-P647 HydrophobicContact SD-CG 4.16Å; P647-G649 VanDerWaalsContact C-N 3.29Å; P647-G649 PolarHBondContact O-N 2.83Å; P647-T674 WeakPolarHBondContact CB-O 3.36Å; P647-N676 WeakPolarHBondContact CB-OD1 3.32Å |
| 648 | L | 95.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | trans | -63.5 | -33.8 | 175.2 | -60.9 | 173.2 | 0 | 0 | 0 | 112.6 | V651 N676 K728 A729 N784 Q787 | L648-V651 HydrophobicContact CB-CG2 4.34Å; L648-V651 HydrophobicContact CD1-CG2 4.46Å; L648-N676 WeakPolarHBondContact CA-OD1 3.41Å; L648-N676 WeakPolarHBondContact CB-OD1 3.42Å; L648-N676 PolarHBondContact N-OD1 2.89Å; L648-K728 WeakPolarHBondContact O-CB 3.44Å; L648-K728 VanDerWaalsContact O-CG 3.25Å; L648-K728 WeakPolarHBondContact O-CG 3.13Å; L648-A729 HydrophobicContact CD1-CB 3.73Å; L648-N784 VanDerWaalsContact CD1-O 3.27Å; L648-N784 WeakPolarHBondContact CD1-O 3.09Å; L648-Q787 HydrophobicContact CD2-CB 3.94Å; L648-Q787 HydrophobicContact CD2-CG 4.27Å | ||
| 649 | G | 95.9 | Very high | 93 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 118.5 | -116.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P647 N676 A677 | P647-G649 VanDerWaalsContact C-N 3.29Å; P647-G649 PolarHBondContact O-N 2.83Å; G649-N676 PolarHBondContact N-OD1 2.72Å; G649-N676 VanDerWaalsContact O-CA 3.31Å; G649-N676 WeakPolarHBondContact O-CA 3.45Å; G649-N676 WeakPolarHBondContact O-CB 3.31Å; G649-N676 PolarHBondContact O-OD1 2.87Å; G649-A677 PolarHBondContact O-N 3.4Å |
| 650 | V | 98.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.2 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | V556 A559 A677 V679 V726 I727 K728 | V556-V650 HydrophobicContact CG1-CG1 4.48Å; A559-V650 HydrophobicContact CB-CG1 3.94Å; A559-V650 HydrophobicContact CB-CG2 4Å; V650-A677 WeakPolarHBondContact CA-O 3.21Å; V650-V679 HydrophobicContact CG1-CG2 4.42Å; V650-V726 HydrophobicContact CB-CG1 4.42Å; V650-V726 HydrophobicContact CG2-CG1 4.13Å; V650-I727 HydrophobicContact CG1-CG1 4.35Å; V650-K728 PolarHBondContact O-N 3.04Å |
| 651 | V | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.3 | -176.6 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | L648 I653 N676 A677 V678 V679 A729 W731 | L648-V651 HydrophobicContact CB-CG2 4.34Å; L648-V651 HydrophobicContact CD1-CG2 4.46Å; V651-I653 HydrophobicContact CG1-CD1 4.41Å; V651-I653 HydrophobicContact CG1-CG1 3.9Å; V651-N676 HydrophobicContact CG2-CB 4.02Å; V651-A677 PolarHBondContact N-O 3.23Å; V651-V678 WeakPolarHBondContact O-CA 3.38Å; V651-V679 PolarHBondContact O-N 3.27Å; V651-A729 WeakPolarHBondContact CA-O 3.19Å; V651-A729 HydrophobicContact CG1-CB 4.24Å; V651-A729 HydrophobicContact CG2-CB 4.36Å; V651-W731 HydrophobicContact CG1-CD2 4.35Å; V651-W731 HydrophobicContact CG1-CG 4.36Å |
| 652 | G | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V679 A729 I730 W731 | G652-V679 CarbonylContact C-O 3.34Å; G652-V679 WeakPolarHBondContact CA-O 3.46Å; G652-A729 PolarHBondContact N-O 3.1Å; G652-I730 CarbonylContact O-C 3.5Å; G652-I730 VanDerWaalsContact O-CA 3.28Å; G652-I730 WeakPolarHBondContact O-CA 3.35Å; G652-W731 PolarHBondContact O-N 2.68Å |
| 653 | I | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113 | -178.4 | -55 | 179.2 | 0 | 0 | 0 | 109 | V651 L655 V667 A671 V678 V679 M680 V681 W731 W733 | V651-I653 HydrophobicContact CG1-CD1 4.41Å; V651-I653 HydrophobicContact CG1-CG1 3.9Å; I653-L655 HydrophobicContact CG2-CD2 3.89Å; I653-L655 HydrophobicContact CG2-CG 4.24Å; I653-V667 HydrophobicContact CD1-CG2 4.48Å; I653-V667 HydrophobicContact CG2-CG2 3.87Å; I653-A671 HydrophobicContact CD1-CB 4.41Å; I653-V678 HydrophobicContact CD1-CB 4.21Å; I653-V678 HydrophobicContact CD1-CG1 3.84Å; I653-V679 PolarHBondContact N-O 3.43Å; I653-M680 HydrophobicContact CB-CE 4.46Å; I653-M680 HydrophobicContact CB-CG 4.3Å; I653-M680 HydrophobicContact CD1-CE 4.26Å; I653-M680 HydrophobicContact CG2-CE 4.2Å; I653-M680 CarbonylContact O-C 3.57Å; I653-M680 VanDerWaalsContact O-CA 3.3Å; I653-M680 WeakPolarHBondContact O-CA 3.43Å; I653-V681 PolarHBondContact O-N 3.44Å; I653-W731 CarbonylContact C-O 3.38Å; I653-W731 WeakPolarHBondContact CA-O 3.28Å; I653-W731 HydrophobicContact CD1-CE3 3.94Å; I653-W731 HydrophobicContact CD1-CZ3 4.3Å; I653-W731 HydrophobicContact CG1-CB 4.39Å; I653-W731 HydrophobicContact CG1-CE3 4.25Å; I653-W731 HydrophobicContact CG2-CB 4.39Å; I653-W733 HydrophobicContact CG2-CZ3 4.31Å |
| 654 | V | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.2 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | V681 R714 L721 W731 Y732 W733 | V654-V681 HydrophobicContact CG2-CB 4.25Å; V654-V681 HydrophobicContact CG2-CG2 4.43Å; V654-R714 HydrophobicContact CG1-CG 3.77Å; V654-L721 HydrophobicContact CG2-CD1 3.86Å; V654-W731 PolarHBondContact N-O 3.25Å; V654-Y732 HydrophobicContact CB-CD2 3.65Å; V654-Y732 HydrophobicContact CB-CE2 4.18Å; V654-Y732 HydrophobicContact CG1-CD2 3.93Å; V654-Y732 HydrophobicContact CG1-CE2 3.94Å; V654-Y732 HydrophobicContact CG2-CD2 3.83Å; V654-Y732 HydrophobicContact CG2-CE2 4.33Å; V654-W733 PolarHBondContact O-N 2.85Å |
| 655 | L | 94.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | trans | -78 | 151.9 | -167 | -72.6 | 167.1 | 0 | 0 | 0 | 113.1 | I653 M664 V667 M680 V681 P682 | I653-L655 HydrophobicContact CG2-CD2 3.89Å; I653-L655 HydrophobicContact CG2-CG 4.24Å; L655-M664 HydrophobicContact CD1-CB 3.84Å; L655-M664 HydrophobicContact CD1-CG 3.74Å; L655-M664 HydrophobicContact CD1-SD 4.3Å; L655-M664 HydrophobicContact CD2-CB 4.06Å; L655-M664 HydrophobicContact CD2-CG 4.42Å; L655-V667 HydrophobicContact CD2-CG2 3.44Å; L655-V667 VanDerWaalsContact CD2-CG2 3.44Å; L655-M680 HydrophobicContact CD1-CB 4.44Å; L655-M680 HydrophobicContact CD1-CE 3.91Å; L655-M680 HydrophobicContact CD2-CE 3.75Å; L655-M680 HydrophobicContact CG-CE 4.13Å; L655-V681 WeakPolarHBondContact CB-O 3.35Å; L655-V681 PolarHBondContact N-O 3.46Å; L655-P682 HydrophobicContact CD1-CB 4.24Å | ||
| 656 | P | 90.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | trans | -72.5 | 162.1 | 175 | 33.4 | -37.4 | 0 | 0 | 0 | 111.9 | N658 S663 W733 Q758 W770 | P656-N658 WeakPolarHBondContact CB-OD1 3.39Å; P656-S663 VanDerWaalsContact CG-CB 3.46Å; P656-S663 WeakPolarHBondContact CG-OG 3.32Å; P656-W733 HydrophobicContact CB-CB 3.67Å; P656-W733 HydrophobicContact CB-CD2 4.47Å; P656-W733 HydrophobicContact CB-CG 3.75Å; P656-W733 HydrophobicContact CG-CB 4.46Å; P656-W733 HydrophobicContact CG-CD2 4.47Å; P656-W733 HydrophobicContact CG-CG 4.23Å; P656-Q758 VanDerWaalsContact CB-NE2 3.33Å; P656-W770 HydrophobicContact CG-CZ2 3.86Å | ||
| 657 | D | 87.7 | Confident | 94.6 | Very high | 29 Ų | 29 | 8.2 Ų | 8.2 | 16% | 0.155 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -78.2 | -25.3 | 175.4 | -73.6 | -10.8 | 0 | 0 | 0 | 113.3 | S683 R685 F686 | D657-S683 VanDerWaalsContact OD1-CB 3.26Å; D657-S683 WeakPolarHBondContact OD1-CB 3.46Å; D657-S683 PolarHBondContact OD1-OG 3.33Å; D657-R685 WeakPolarHBondContact OD2-CD 3.48Å; D657-F686 HydrophobicContact CB-CD2 4.16Å; D657-F686 HydrophobicContact CB-CE2 4.26Å; D657-F686 WeakPolarHBondContact O-CD2 3.47Å |
| 658 | N | 86.7 | Confident | 94.8 | Very high | 46 Ų | 46 | 7.3 Ų | 7.3 | 25% | 0.246 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -87.4 | 137 | -173.1 | 72.2 | -44.6 | 0 | 0 | 0 | 112.7 | P656 S663 A767 W770 | P656-N658 WeakPolarHBondContact CB-OD1 3.39Å; N658-S663 PolarHBondContact O-OG 3.05Å; N658-A767 WeakPolarHBondContact ND2-CB 3.26Å; N658-A767 WeakPolarHBondContact OD1-CB 3.46Å; N658-W770 VanDerWaalsContact CG-NE1 3.35Å; N658-W770 PolarHBondContact ND2-NE1 3.18Å; N658-W770 VanDerWaalsContact ND2-NE1 3.16Å; N658-W770 PolarHBondContact OD1-NE1 2.72Å |
| 659 | A | 89.3 | Confident | 94.8 | Very high | 29 Ų | 29 | 6.7 Ų | 6.7 | 24% | 0.24 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 44.8 | 62.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E610 L661 L662 S663 W770 | E610-A659 VanDerWaalsContact OE1-CA 3.32Å; E610-A659 WeakPolarHBondContact OE1-CA 3.32Å; A659-L661 VanDerWaalsContact C-N 3.25Å; A659-L661 PolarHBondContact O-N 3.22Å; A659-L661 VanDerWaalsContact O-N 3.17Å; A659-L662 HydrophobicContact CB-CB 4.07Å; A659-L662 PolarHBondContact O-N 3.25Å; A659-L662 VanDerWaalsContact O-N 3.15Å; A659-S663 VanDerWaalsContact O-CB 3.29Å; A659-S663 WeakPolarHBondContact O-CB 3.31Å; A659-S663 PolarHBondContact O-N 3.24Å; A659-S663 PolarHBondContact O-OG 2.98Å; A659-W770 HydrophobicContact CB-CB 4.27Å; A659-W770 HydrophobicContact CB-CG 4.46Å |
| 660 | P | 92 | Very high | 94.8 | Very high | 9 Ų | 9 | 6.3 Ų | 6.3 | 6% | 0.058 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.3 | -29.7 | -164.4 | 24.4 | -36.4 | 0 | 0 | 0 | 114.1 | L600 M664 F686 P689 | L600-P660 HydrophobicContact CD1-CG 4.05Å; L600-P660 HydrophobicContact CD2-CG 4.21Å; L600-P660 HydrophobicContact CG-CG 4.44Å; P660-M664 WeakPolarHBondContact O-CB 3.32Å; P660-F686 HydrophobicContact CB-CB 4.23Å; P660-F686 HydrophobicContact CG-CB 4.23Å; P660-P689 HydrophobicContact CB-CB 4.48Å; P660-P689 HydrophobicContact CB-CG 4.35Å; P660-P689 HydrophobicContact CG-CB 4.33Å; P660-P689 HydrophobicContact CG-CG 3.86Å |
| 661 | L | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -80.1 | -50.7 | 174 | -178.1 | 71.5 | 0 | 0 | 0 | 110.6 | V592 V596 E610 V611 A659 M664 V665 P689 F693 | V592-L661 HydrophobicContact CG1-CD1 3.95Å; V592-L661 HydrophobicContact CG1-CD2 3.51Å; V592-L661 HydrophobicContact CG1-CG 4.36Å; V596-L661 HydrophobicContact CG2-CB 4.26Å; V596-L661 HydrophobicContact CG2-CD2 4.36Å; E610-L661 HydrophobicContact CG-CB 4.45Å; E610-L661 WeakPolarHBondContact OE1-CA 3.23Å; E610-L661 WeakPolarHBondContact OE1-CB 3.23Å; E610-L661 PolarHBondContact OE1-N 3.03Å; V611-L661 HydrophobicContact CB-CD2 4.25Å; V611-L661 HydrophobicContact CG1-CD2 4.43Å; V611-L661 HydrophobicContact CG2-CD2 3.71Å; A659-L661 VanDerWaalsContact C-N 3.25Å; A659-L661 PolarHBondContact O-N 3.22Å; A659-L661 VanDerWaalsContact O-N 3.17Å; L661-M664 HydrophobicContact CD1-CE 3.84Å; L661-M664 WeakPolarHBondContact O-CB 3.19Å; L661-M664 PolarHBondContact O-N 3.35Å; L661-V665 HydrophobicContact CD1-CG1 4.48Å; L661-V665 PolarHBondContact O-N 2.88Å; L661-P689 HydrophobicContact CB-CB 4.08Å; L661-F693 HydrophobicContact CD1-CB 4.36Å; L661-F693 HydrophobicContact CD1-CD2 4.23Å |
| 662 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.016 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | -173.3 | 178.6 | 57.5 | 0 | 0 | 0 | 112.2 | E610 L613 S614 R617 A659 V665 T666 W770 | E610-L662 HydrophobicContact CG-CB 3.73Å; E610-L662 PolarHBondContact OE1-N 2.7Å; L613-L662 HydrophobicContact CB-CD1 3.85Å; L613-L662 HydrophobicContact CB-CD2 3.87Å; L613-L662 HydrophobicContact CB-CG 4.49Å; L613-L662 HydrophobicContact CD1-CD2 4.01Å; S614-L662 VanDerWaalsContact OG-CA 3.28Å; S614-L662 WeakPolarHBondContact OG-CA 3.25Å; S614-L662 PolarHBondContact OG-N 2.86Å; R617-L662 HydrophobicContact CB-CD1 4.34Å; A659-L662 HydrophobicContact CB-CB 4.07Å; A659-L662 PolarHBondContact O-N 3.25Å; A659-L662 VanDerWaalsContact O-N 3.15Å; L662-V665 HydrophobicContact CD1-CG2 4.43Å; L662-V665 WeakPolarHBondContact O-CG2 3.29Å; L662-T666 VanDerWaalsContact O-CB 3.24Å; L662-T666 WeakPolarHBondContact O-CB 3.35Å; L662-T666 PolarHBondContact O-N 3.11Å; L662-T666 PolarHBondContact O-OG1 2.65Å; L662-W770 HydrophobicContact CD2-CB 3.87Å; L662-W770 WeakPolarHBondContact CD2-O 3.38Å; L662-W770 HydrophobicContact CG-CB 4Å |
| 663 | S | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 111 | P656 N658 A659 T666 V667 W770 | P656-S663 VanDerWaalsContact CG-CB 3.46Å; P656-S663 WeakPolarHBondContact CG-OG 3.32Å; N658-S663 PolarHBondContact O-OG 3.05Å; A659-S663 VanDerWaalsContact O-CB 3.29Å; A659-S663 WeakPolarHBondContact O-CB 3.31Å; A659-S663 PolarHBondContact O-N 3.24Å; A659-S663 PolarHBondContact O-OG 2.98Å; S663-T666 WeakPolarHBondContact O-CB 3.35Å; S663-T666 PolarHBondContact O-N 2.89Å; S663-V667 WeakPolarHBondContact O-CG2 3.4Å; S663-V667 PolarHBondContact O-N 2.78Å; S663-W770 VanDerWaalsContact CB-CE2 3.47Å |
| 664 | M | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56.9 | -54.2 | 176.2 | 175 | -173.2 | 75.4 | 0 | 0 | 111.8 | L655 P660 L661 T666 V667 L668 M680 A690 F693 I709 | L655-M664 HydrophobicContact CD1-CB 3.84Å; L655-M664 HydrophobicContact CD1-CG 3.74Å; L655-M664 HydrophobicContact CD1-SD 4.3Å; L655-M664 HydrophobicContact CD2-CB 4.06Å; L655-M664 HydrophobicContact CD2-CG 4.42Å; P660-M664 WeakPolarHBondContact O-CB 3.32Å; L661-M664 HydrophobicContact CD1-CE 3.84Å; L661-M664 WeakPolarHBondContact O-CB 3.19Å; L661-M664 PolarHBondContact O-N 3.35Å; M664-T666 VanDerWaalsContact C-N 3.25Å; M664-T666 PolarHBondContact O-N 3.26Å; M664-V667 WeakPolarHBondContact O-CG2 3.4Å; M664-V667 PolarHBondContact O-N 2.86Å; M664-L668 WeakPolarHBondContact O-CB 3.24Å; M664-L668 PolarHBondContact O-N 3.23Å; M664-M680 HydrophobicContact CG-CE 3.77Å; M664-M680 HydrophobicContact CG-SD 4.4Å; M664-A690 HydrophobicContact CE-CB 4.49Å; M664-A690 HydrophobicContact SD-CB 3.57Å; M664-A690 VanDerWaalsContact SD-CB 3.57Å; M664-F693 HydrophobicContact CE-CB 3.68Å; M664-F693 HydrophobicContact CE-CD1 3.5Å; M664-F693 VanDerWaalsContact CE-CD1 3.5Å; M664-F693 HydrophobicContact CE-CD2 4.22Å; M664-F693 HydrophobicContact CE-CE1 4.15Å; M664-F693 HydrophobicContact CE-CG 3.54Å; M664-F693 HydrophobicContact SD-CD1 4.49Å; M664-I709 HydrophobicContact SD-CD1 4.45Å |
| 665 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67.4 | -30 | -178.4 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | R617 L618 L661 L662 G669 F693 | R617-V665 HydrophobicContact CB-CG2 4.43Å; L618-V665 HydrophobicContact CD1-CG1 4.46Å; L618-V665 HydrophobicContact CD2-CB 4.11Å; L618-V665 HydrophobicContact CG-CB 4.17Å; L661-V665 HydrophobicContact CD1-CG1 4.48Å; L661-V665 PolarHBondContact O-N 2.88Å; L662-V665 HydrophobicContact CD1-CG2 4.43Å; L662-V665 WeakPolarHBondContact O-CG2 3.29Å; V665-G669 PolarHBondContact O-N 3.46Å; V665-F693 HydrophobicContact CG1-CE2 4.11Å; V665-F693 HydrophobicContact CG1-CZ 4.15Å |
| 666 | T | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 176.6 | -62 | 0 | 0 | 0 | 0 | 110.9 | R617 W621 L662 S663 M664 A670 W770 M778 L781 | R617-T666 HydrophobicContact CG-CG2 4.32Å; R617-T666 WeakPolarHBondContact CG-OG1 3.22Å; R617-T666 PolarHBondContact NE-OG1 2.72Å; W621-T666 PolarHBondContact NE1-O 3.42Å; L662-T666 VanDerWaalsContact O-CB 3.24Å; L662-T666 WeakPolarHBondContact O-CB 3.35Å; L662-T666 PolarHBondContact O-N 3.11Å; L662-T666 PolarHBondContact O-OG1 2.65Å; S663-T666 WeakPolarHBondContact O-CB 3.35Å; S663-T666 PolarHBondContact O-N 2.89Å; M664-T666 VanDerWaalsContact C-N 3.25Å; M664-T666 PolarHBondContact O-N 3.26Å; T666-A670 PolarHBondContact O-N 3.36Å; T666-W770 HydrophobicContact CG2-CE3 3.99Å; T666-W770 HydrophobicContact CG2-CZ3 3.81Å; T666-M778 HydrophobicContact CG2-CE 3.86Å; T666-L781 HydrophobicContact CG2-CD1 3.61Å |
| 667 | V | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -78.3 | -36.1 | -179.5 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | I653 L655 S663 M664 A670 A671 M680 W731 W733 W770 L781 | I653-V667 HydrophobicContact CD1-CG2 4.48Å; I653-V667 HydrophobicContact CG2-CG2 3.87Å; L655-V667 HydrophobicContact CD2-CG2 3.44Å; L655-V667 VanDerWaalsContact CD2-CG2 3.44Å; S663-V667 WeakPolarHBondContact O-CG2 3.4Å; S663-V667 PolarHBondContact O-N 2.78Å; M664-V667 WeakPolarHBondContact O-CG2 3.4Å; M664-V667 PolarHBondContact O-N 2.86Å; V667-A670 PolarHBondContact O-N 3.33Å; V667-A671 PolarHBondContact O-N 3.49Å; V667-M680 HydrophobicContact CG2-CE 3.84Å; V667-W731 HydrophobicContact CB-CE3 4.01Å; V667-W731 HydrophobicContact CB-CZ3 3.9Å; V667-W731 WeakPolarHBondContact O-CZ3 3.34Å; V667-W733 HydrophobicContact CG1-CH2 3.53Å; V667-W733 HydrophobicContact CG1-CZ2 4.26Å; V667-W733 HydrophobicContact CG1-CZ3 4.02Å; V667-W770 HydrophobicContact CG1-CH2 4.05Å; V667-W770 HydrophobicContact CG1-CZ3 4.26Å; V667-L781 HydrophobicContact CG1-CD2 4.19Å |
| 668 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.1 | -51.4 | 173.9 | 170.7 | 62.3 | 0 | 0 | 0 | 110.6 | M664 A670 A671 I672 V678 M680 F693 V707 | M664-L668 WeakPolarHBondContact O-CB 3.24Å; M664-L668 PolarHBondContact O-N 3.23Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.47Å; L668-A671 PolarHBondContact O-N 2.69Å; L668-I672 HydrophobicContact CD1-CD1 4.23Å; L668-I672 HydrophobicContact CD1-CG2 3.76Å; L668-I672 HydrophobicContact CG-CD1 4.21Å; L668-I672 WeakPolarHBondContact O-CG1 3.47Å; L668-I672 PolarHBondContact O-N 2.91Å; L668-V678 HydrophobicContact CD1-CG2 3.65Å; L668-M680 HydrophobicContact CB-CE 3.99Å; L668-M680 HydrophobicContact CB-SD 4.08Å; L668-M680 HydrophobicContact CD1-SD 3.89Å; L668-M680 HydrophobicContact CG-SD 4.4Å; L668-F693 HydrophobicContact CD2-CE1 3.82Å; L668-F693 HydrophobicContact CD2-CZ 4.33Å; L668-V707 HydrophobicContact CD1-CB 4.46Å; L668-V707 HydrophobicContact CD1-CG1 3.91Å; L668-V707 HydrophobicContact CD1-CG2 3.69Å |
| 669 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V665 A671 A673 | V665-G669 PolarHBondContact O-N 3.46Å; G669-A671 VanDerWaalsContact C-N 3.34Å; G669-A671 PolarHBondContact O-N 3.34Å; G669-A673 WeakPolarHBondContact O-CB 3.42Å; G669-A673 PolarHBondContact O-N 3.09Å |
| 670 | A | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W621 T666 V667 L668 T674 W731 L781 | W621-A670 HydrophobicContact CD2-CB 4.43Å; W621-A670 HydrophobicContact CH2-CB 3.54Å; W621-A670 HydrophobicContact CZ2-CB 3.39Å; W621-A670 HydrophobicContact CZ3-CB 4.13Å; T666-A670 PolarHBondContact O-N 3.36Å; V667-A670 PolarHBondContact O-N 3.33Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.47Å; A670-T674 WeakPolarHBondContact O-CG2 3.43Å; A670-T674 PolarHBondContact O-OG1 3.34Å; A670-W731 HydrophobicContact CB-CH2 4.03Å; A670-W731 HydrophobicContact CB-CZ3 4.31Å; A670-L781 HydrophobicContact CB-CB 3.88Å |
| 671 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -70.5 | -48.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I653 V667 L668 G669 T674 G675 N676 V678 W731 | I653-A671 HydrophobicContact CD1-CB 4.41Å; V667-A671 PolarHBondContact O-N 3.49Å; L668-A671 PolarHBondContact O-N 2.69Å; G669-A671 VanDerWaalsContact C-N 3.34Å; G669-A671 PolarHBondContact O-N 3.34Å; A671-T674 PolarHBondContact O-OG1 3.35Å; A671-G675 PolarHBondContact O-N 3.41Å; A671-N676 HydrophobicContact CB-CB 4.3Å; A671-N676 WeakPolarHBondContact O-CB 3.47Å; A671-N676 PolarHBondContact O-N 3.44Å; A671-N676 PolarHBondContact O-ND2 3.23Å; A671-V678 HydrophobicContact CB-CG1 3.5Å; A671-V678 VanDerWaalsContact CB-CG1 3.5Å; A671-W731 HydrophobicContact CB-CH2 4.24Å; A671-W731 HydrophobicContact CB-CZ3 4.44Å |
| 672 | I | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -76.7 | -30.2 | -176 | 70.2 | -179.9 | 0 | 0 | 0 | 112.5 | W566 L578 L581 L668 T674 G675 V678 L702 L706 V707 | W566-I672 PolarHBondContact NE1-O 3.49Å; L578-I672 HydrophobicContact CD1-CG1 4.41Å; L578-I672 HydrophobicContact CD2-CD1 3.86Å; L578-I672 HydrophobicContact CD2-CG1 3.94Å; L578-I672 HydrophobicContact CG-CD1 4.21Å; L578-I672 HydrophobicContact CG-CG1 4.32Å; L581-I672 HydrophobicContact CD2-CD1 4.48Å; L668-I672 HydrophobicContact CD1-CD1 4.23Å; L668-I672 HydrophobicContact CD1-CG2 3.76Å; L668-I672 HydrophobicContact CG-CD1 4.21Å; L668-I672 WeakPolarHBondContact O-CG1 3.47Å; L668-I672 PolarHBondContact O-N 2.91Å; I672-T674 VanDerWaalsContact C-N 3.25Å; I672-T674 PolarHBondContact O-N 2.94Å; I672-G675 PolarHBondContact O-N 2.83Å; I672-G675 VanDerWaalsContact O-N 3.14Å; I672-V678 HydrophobicContact CG2-CG1 4.49Å; I672-L702 HydrophobicContact CD1-CD1 4.41Å; I672-L706 HydrophobicContact CG2-CD2 4.47Å; I672-L706 HydrophobicContact CG2-CG 4.4Å; I672-V707 HydrophobicContact CG2-CG2 4.24Å |
| 673 | A | 96.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 1.4 Ų | 1.4 | 3% | 0.033 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R574 L578 W621 C625 G669 G675 | R574-A673 PolarHBondContact NE-O 2.93Å; L578-A673 HydrophobicContact CD1-CB 3.95Å; W621-A673 HydrophobicContact CE3-CB 4.38Å; C625-A673 VanDerWaalsContact SG-CB 3.53Å; G669-A673 WeakPolarHBondContact O-CB 3.42Å; G669-A673 PolarHBondContact O-N 3.09Å; A673-G675 VanDerWaalsContact C-N 3.33Å |
| 674 | T | 94.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 6.2 Ų | 6.2 | 7% | 0.067 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.9 | 179.3 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | P647 A670 A671 I672 N676 W782 A785 V786 | P647-T674 WeakPolarHBondContact CB-O 3.36Å; A670-T674 WeakPolarHBondContact O-CG2 3.43Å; A670-T674 PolarHBondContact O-OG1 3.34Å; A671-T674 PolarHBondContact O-OG1 3.35Å; I672-T674 VanDerWaalsContact C-N 3.25Å; I672-T674 PolarHBondContact O-N 2.94Å; T674-N676 PolarHBondContact OG1-ND2 3.33Å; T674-W782 VanDerWaalsContact CG2-CD1 3.44Å; T674-W782 HydrophobicContact CG2-CG 4.28Å; T674-A785 HydrophobicContact CG2-CB 4.1Å; T674-A785 WeakPolarHBondContact OG1-CB 3.29Å; T674-V786 HydrophobicContact CG2-CG1 3.61Å |
| 675 | G | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | 13.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q563 A671 I672 A673 | Q563-G675 PolarHBondContact NE2-O 3.16Å; A671-G675 PolarHBondContact O-N 3.41Å; I672-G675 PolarHBondContact O-N 2.83Å; I672-G675 VanDerWaalsContact O-N 3.14Å; A673-G675 VanDerWaalsContact C-N 3.33Å |
| 676 | N | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -84 | 157.2 | 176.5 | -57.5 | -75 | 0 | 0 | 0 | 112.4 | P647 L648 G649 V651 A671 T674 L706 A785 | P647-N676 WeakPolarHBondContact CB-OD1 3.32Å; L648-N676 WeakPolarHBondContact CA-OD1 3.41Å; L648-N676 WeakPolarHBondContact CB-OD1 3.42Å; L648-N676 PolarHBondContact N-OD1 2.89Å; G649-N676 PolarHBondContact N-OD1 2.72Å; G649-N676 VanDerWaalsContact O-CA 3.31Å; G649-N676 WeakPolarHBondContact O-CA 3.45Å; G649-N676 WeakPolarHBondContact O-CB 3.31Å; G649-N676 PolarHBondContact O-OD1 2.87Å; V651-N676 HydrophobicContact CG2-CB 4.02Å; A671-N676 HydrophobicContact CB-CB 4.3Å; A671-N676 WeakPolarHBondContact O-CB 3.47Å; A671-N676 PolarHBondContact O-N 3.44Å; A671-N676 PolarHBondContact O-ND2 3.23Å; T674-N676 PolarHBondContact OG1-ND2 3.33Å; N676-L706 WeakPolarHBondContact O-CD1 3.48Å; N676-A785 PolarHBondContact ND2-O 3.31Å | ||
| 677 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 149 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A559 Q563 G649 V650 V651 L706 | A559-A677 HydrophobicContact CB-CB 3.88Å; Q563-A677 HydrophobicContact CB-CB 3.71Å; Q563-A677 HydrophobicContact CG-CB 3.83Å; G649-A677 PolarHBondContact O-N 3.4Å; V650-A677 WeakPolarHBondContact CA-O 3.21Å; V651-A677 PolarHBondContact N-O 3.23Å; A677-L706 CarbonylContact C-O 3.56Å; A677-L706 WeakPolarHBondContact CA-O 3.44Å; A677-L706 HydrophobicContact CB-CD1 3.95Å |
| 678 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.3 | -171.3 | -59.2 | 0 | 0 | 0 | 0 | 113 | V651 I653 L668 A671 I672 M680 L706 V707 N708 | V651-V678 WeakPolarHBondContact O-CA 3.38Å; I653-V678 HydrophobicContact CD1-CB 4.21Å; I653-V678 HydrophobicContact CD1-CG1 3.84Å; L668-V678 HydrophobicContact CD1-CG2 3.65Å; A671-V678 HydrophobicContact CB-CG1 3.5Å; A671-V678 VanDerWaalsContact CB-CG1 3.5Å; I672-V678 HydrophobicContact CG2-CG1 4.49Å; V678-M680 HydrophobicContact CB-CG 4.06Å; V678-M680 HydrophobicContact CG2-CG 3.82Å; V678-M680 HydrophobicContact CG2-SD 3.99Å; V678-L706 PolarHBondContact N-O 2.89Å; V678-V707 HydrophobicContact CG2-CB 4.2Å; V678-V707 HydrophobicContact CG2-CG1 3.97Å; V678-V707 HydrophobicContact CG2-CG2 4.13Å; V678-N708 PolarHBondContact O-N 3.15Å; V678-N708 PolarHBondContact O-ND2 3.4Å; V678-N708 VanDerWaalsContact O-ND2 3.13Å |
| 679 | V | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 106.2 | 165 | -176.7 | 0 | 0 | 0 | 0 | 107 | A555 V556 V650 V651 G652 I653 N708 I710 L721 | A555-V679 HydrophobicContact CB-CG1 4.02Å; A555-V679 HydrophobicContact CB-CG2 3.98Å; V556-V679 HydrophobicContact CG2-CG2 3.96Å; V650-V679 HydrophobicContact CG1-CG2 4.42Å; V651-V679 PolarHBondContact O-N 3.27Å; G652-V679 CarbonylContact C-O 3.34Å; G652-V679 WeakPolarHBondContact CA-O 3.46Å; I653-V679 PolarHBondContact N-O 3.43Å; V679-N708 HydrophobicContact CG2-CB 4.5Å; V679-I710 HydrophobicContact CG1-CD1 3.74Å; V679-I710 HydrophobicContact CG1-CG1 4.47Å; V679-L721 HydrophobicContact CB-CD2 4.23Å; V679-L721 HydrophobicContact CG1-CD2 3.98Å |
| 680 | M | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 135.2 | -172.6 | -53.9 | -173.8 | 81.5 | 0 | 0 | 110.7 | I653 L655 M664 V667 L668 V678 V707 N708 I709 I710 | I653-M680 HydrophobicContact CB-CE 4.46Å; I653-M680 HydrophobicContact CB-CG 4.3Å; I653-M680 HydrophobicContact CD1-CE 4.26Å; I653-M680 HydrophobicContact CG2-CE 4.2Å; I653-M680 CarbonylContact O-C 3.57Å; I653-M680 VanDerWaalsContact O-CA 3.3Å; I653-M680 WeakPolarHBondContact O-CA 3.43Å; L655-M680 HydrophobicContact CD1-CB 4.44Å; L655-M680 HydrophobicContact CD1-CE 3.91Å; L655-M680 HydrophobicContact CD2-CE 3.75Å; L655-M680 HydrophobicContact CG-CE 4.13Å; M664-M680 HydrophobicContact CG-CE 3.77Å; M664-M680 HydrophobicContact CG-SD 4.4Å; V667-M680 HydrophobicContact CG2-CE 3.84Å; L668-M680 HydrophobicContact CB-CE 3.99Å; L668-M680 HydrophobicContact CB-SD 4.08Å; L668-M680 HydrophobicContact CD1-SD 3.89Å; L668-M680 HydrophobicContact CG-SD 4.4Å; V678-M680 HydrophobicContact CB-CG 4.06Å; V678-M680 HydrophobicContact CG2-CG 3.82Å; V678-M680 HydrophobicContact CG2-SD 3.99Å; M680-V707 HydrophobicContact SD-CG1 4.41Å; M680-N708 PolarHBondContact N-O 3.24Å; M680-I709 HydrophobicContact CB-CG1 4.49Å; M680-I709 WeakPolarHBondContact O-CA 3.44Å; M680-I710 PolarHBondContact O-N 3.07Å |
| 681 | V | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.8 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | I653 V654 L655 I710 L717 L721 | I653-V681 PolarHBondContact O-N 3.44Å; V654-V681 HydrophobicContact CG2-CB 4.25Å; V654-V681 HydrophobicContact CG2-CG2 4.43Å; L655-V681 WeakPolarHBondContact CB-O 3.35Å; L655-V681 PolarHBondContact N-O 3.46Å; V681-I710 WeakPolarHBondContact CA-O 3.28Å; V681-L717 HydrophobicContact CB-CD1 4.41Å; V681-L717 HydrophobicContact CG1-CB 4.15Å; V681-L717 HydrophobicContact CG1-CD1 3.54Å; V681-L717 HydrophobicContact CG2-CB 3.88Å; V681-L717 HydrophobicContact CG2-CD1 4.03Å; V681-L717 HydrophobicContact CG2-CG 4.49Å; V681-L721 HydrophobicContact CG2-CD1 3.95Å |
| 682 | P | 95.8 | Very high | 95 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | trans | -68.6 | 170 | 178.8 | 32.8 | -33.3 | 0 | 0 | 0 | 111.1 | L655 Q684 P687 A690 I709 I710 T711 | L655-P682 HydrophobicContact CD1-CB 4.24Å; P682-Q684 PolarHBondContact O-N 3.2Å; P682-P687 HydrophobicContact CG-CB 4.32Å; P682-A690 HydrophobicContact CB-CB 3.62Å; P682-A690 HydrophobicContact CG-CB 4.31Å; P682-I709 HydrophobicContact CG-CG2 4.15Å; P682-I710 WeakPolarHBondContact CD-O 3.36Å; P682-T711 HydrophobicContact CG-CG2 3.59Å | ||
| 683 | S | 90.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 3% | 0.028 | 7% | 0.07 | C | C | . | . | trans | -50.4 | 129.6 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 110 | D657 R685 F686 P687 | D657-S683 VanDerWaalsContact OD1-CB 3.26Å; D657-S683 WeakPolarHBondContact OD1-CB 3.46Å; D657-S683 PolarHBondContact OD1-OG 3.33Å; S683-R685 PolarHBondContact O-N 2.97Å; S683-R685 PolarHBondContact OG-N 3.32Å; S683-F686 CarbonylContact O-C 3.41Å; S683-F686 PolarHBondContact OG-N 3.4Å; S683-P687 WeakPolarHBondContact O-CA 3.23Å; S683-P687 WeakPolarHBondContact O-CB 3.42Å; S683-P687 VanDerWaalsContact O-CD 3.26Å; S683-P687 WeakPolarHBondContact O-CD 3.39Å | ||
| 684 | Q | 88.7 | Confident | 94.9 | Very high | 101 Ų | 101 | 15.2 Ų | 15.2 | 47% | 0.472 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -65.3 | -29.5 | 173.8 | -177.1 | 177.3 | -29.9 | 0 | 0 | 111 | P682 | P682-Q684 PolarHBondContact O-N 3.2Š|
| 685 | R | 86.7 | Confident | 94.8 | Very high | 127 Ų | 127 | 17.6 Ų | 17.6 | 48% | 0.479 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -83 | -40.7 | 179.2 | -61.5 | 179.4 | 68.8 | -175.2 | 2 | 111.9 | Q599 D657 S683 P687 | Q599-R685 PolarHBondContact NE2-O 2.52Å; Q599-R685 VanDerWaalsContact NE2-O 3.17Å; D657-R685 WeakPolarHBondContact OD2-CD 3.48Å; S683-R685 PolarHBondContact O-N 2.97Å; S683-R685 PolarHBondContact OG-N 3.32Å; R685-P687 WeakPolarHBondContact O-CD 3.14Å |
| 686 | F | 91 | Very high | 94.9 | Very high | 42 Ų | 42 | 17.6 Ų | 17.6 | 18% | 0.184 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -121.8 | 56.3 | -172.9 | -48.9 | -59.3 | 0 | 0 | 0 | 114.1 | Q599 L600 D657 P660 S683 | Q599-F686 VanDerWaalsContact CD-CA 3.41Å; Q599-F686 HydrophobicContact CG-CB 4.41Å; Q599-F686 HydrophobicContact CG-CD1 3.89Å; Q599-F686 PolarHBondContact OE1-O 3.31Å; L600-F686 HydrophobicContact CD2-CB 4.28Å; L600-F686 HydrophobicContact CD2-CD1 3.76Å; L600-F686 HydrophobicContact CD2-CD2 4.1Å; L600-F686 HydrophobicContact CD2-CE1 4.03Å; L600-F686 HydrophobicContact CD2-CE2 4.37Å; L600-F686 HydrophobicContact CD2-CG 3.77Å; L600-F686 HydrophobicContact CD2-CZ 4.32Å; D657-F686 HydrophobicContact CB-CD2 4.16Å; D657-F686 HydrophobicContact CB-CE2 4.26Å; D657-F686 WeakPolarHBondContact O-CD2 3.47Å; P660-F686 HydrophobicContact CB-CB 4.23Å; P660-F686 HydrophobicContact CG-CB 4.23Å; S683-F686 CarbonylContact O-C 3.41Å; S683-F686 PolarHBondContact OG-N 3.4Å |
| 687 | P | 94.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.019 | 8% | 0.081 | C | C | . | . | trans | -77.9 | -18.6 | -174.6 | 29.3 | -38.2 | 0 | 0 | 0 | 115.7 | V532 Q599 P682 S683 R685 A690 L691 T711 | V532-P687 HydrophobicContact CG1-CG 4.15Å; V532-P687 HydrophobicContact CG2-CG 3.76Å; Q599-P687 VanDerWaalsContact NE2-CD 3.32Å; P682-P687 HydrophobicContact CG-CB 4.32Å; S683-P687 WeakPolarHBondContact O-CA 3.23Å; S683-P687 WeakPolarHBondContact O-CB 3.42Å; S683-P687 VanDerWaalsContact O-CD 3.26Å; S683-P687 WeakPolarHBondContact O-CD 3.39Å; R685-P687 WeakPolarHBondContact O-CD 3.14Å; P687-A690 PolarHBondContact O-N 3.48Å; P687-L691 HydrophobicContact CB-CD1 4.36Å; P687-L691 WeakPolarHBondContact O-CG 3.46Å; P687-L691 PolarHBondContact O-N 2.92Å; P687-L691 VanDerWaalsContact O-N 3.1Å; P687-T711 HydrophobicContact CB-CG2 4.05Å | ||
| 688 | L | 94.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | -168.6 | -55.6 | -178.3 | 0 | 0 | 0 | 113.7 | Y513 V532 L541 A542 S595 Q599 A690 L691 A692 | Y513-L688 HydrophobicContact CD2-CD2 4Å; Y513-L688 HydrophobicContact CE2-CD2 4.01Å; V532-L688 HydrophobicContact CB-CD2 4.38Å; V532-L688 HydrophobicContact CG1-CD1 4.04Å; V532-L688 HydrophobicContact CG1-CD2 4.11Å; V532-L688 HydrophobicContact CG1-CG 3.9Å; V532-L688 HydrophobicContact CG2-CD2 4.24Å; L541-L688 HydrophobicContact CB-CD1 4.14Å; L541-L688 HydrophobicContact CD1-CD1 4.25Å; A542-L688 HydrophobicContact CB-CD1 4.24Å; A542-L688 HydrophobicContact CB-CD2 3.76Å; S595-L688 VanDerWaalsContact OG-C 3.32Å; S595-L688 WeakPolarHBondContact OG-CB 3.3Å; S595-L688 PolarHBondContact OG-O 3.1Å; Q599-L688 HydrophobicContact CB-CB 4.46Å; Q599-L688 HydrophobicContact CB-CD1 4.22Å; Q599-L688 HydrophobicContact CG-CD1 4.48Å; L688-A690 VanDerWaalsContact C-N 3.27Å; L688-A690 PolarHBondContact O-N 3.31Å; L688-L691 HydrophobicContact CD2-CD1 4.29Å; L688-L691 CarbonylContact O-C 3.47Å; L688-L691 PolarHBondContact O-N 3.3Å; L688-A692 WeakPolarHBondContact O-CB 3.34Å; L688-A692 PolarHBondContact O-N 3.05Å |
| 689 | P | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.2 | -39.7 | 174.5 | -30.7 | 37.7 | 0 | 0 | 0 | 113.6 | V596 P660 L661 F693 | V596-P689 HydrophobicContact CB-CG 4.48Å; V596-P689 HydrophobicContact CG2-CB 3.88Å; V596-P689 HydrophobicContact CG2-CG 3.8Å; P660-P689 HydrophobicContact CB-CB 4.48Å; P660-P689 HydrophobicContact CB-CG 4.35Å; P660-P689 HydrophobicContact CG-CB 4.33Å; P660-P689 HydrophobicContact CG-CG 3.86Å; L661-P689 HydrophobicContact CB-CB 4.08Å; P689-F693 WeakPolarHBondContact O-CB 3.37Å; P689-F693 PolarHBondContact O-N 3.3Å; P689-F693 VanDerWaalsContact O-N 3.09Å |
| 690 | A | 95.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M664 P682 P687 L688 F693 V694 | M664-A690 HydrophobicContact CE-CB 4.49Å; M664-A690 HydrophobicContact SD-CB 3.57Å; M664-A690 VanDerWaalsContact SD-CB 3.57Å; P682-A690 HydrophobicContact CB-CB 3.62Å; P682-A690 HydrophobicContact CG-CB 4.31Å; P687-A690 PolarHBondContact O-N 3.48Å; L688-A690 VanDerWaalsContact C-N 3.27Å; L688-A690 PolarHBondContact O-N 3.31Å; A690-F693 WeakPolarHBondContact O-CB 3.45Å; A690-F693 PolarHBondContact O-N 3.28Å; A690-V694 PolarHBondContact O-N 2.91Å |
| 691 | L | 95.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.7 | -36.6 | 177.2 | -63.6 | 177.2 | 0 | 0 | 0 | 112.5 | Y513 P514 C544 P687 L688 F693 V694 T711 | Y513-L691 HydrophobicContact CD1-CB 3.72Å; Y513-L691 HydrophobicContact CD1-CD1 4.46Å; Y513-L691 HydrophobicContact CE1-CB 4.46Å; Y513-L691 HydrophobicContact CG-CB 4.17Å; Y513-L691 HydrophobicContact CG-CD1 4.05Å; P514-L691 WeakPolarHBondContact O-CD2 3.49Å; C544-L691 HydrophobicContact CB-CD1 3.73Å; P687-L691 HydrophobicContact CB-CD1 4.36Å; P687-L691 WeakPolarHBondContact O-CG 3.46Å; P687-L691 PolarHBondContact O-N 2.92Å; P687-L691 VanDerWaalsContact O-N 3.1Å; L688-L691 HydrophobicContact CD2-CD1 4.29Å; L688-L691 CarbonylContact O-C 3.47Å; L688-L691 PolarHBondContact O-N 3.3Å; L691-F693 VanDerWaalsContact C-N 3.27Å; L691-F693 PolarHBondContact O-N 3.3Å; L691-V694 VanDerWaalsContact O-CB 3.23Å; L691-V694 WeakPolarHBondContact O-CB 3.31Å; L691-V694 WeakPolarHBondContact O-CG2 3.43Å; L691-V694 PolarHBondContact O-N 3.04Å; L691-V694 VanDerWaalsContact O-N 3.16Å; L691-T711 HydrophobicContact CD1-CG2 4.08Å; L691-T711 HydrophobicContact CD2-CG2 3.74Å; L691-T711 HydrophobicContact CG-CG2 4.13Å |
| 692 | A | 94.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | V592 L688 V694 Q695 | V592-A692 HydrophobicContact CG2-CB 4.49Å; L688-A692 WeakPolarHBondContact O-CB 3.34Å; L688-A692 PolarHBondContact O-N 3.05Å; A692-V694 PolarHBondContact O-N 2.74Å; A692-Q695 PolarHBondContact O-N 2.83Å |
| 693 | F | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -18.8 | 175.3 | -169.2 | -106.3 | 0 | 0 | 0 | 113.9 | L581 L585 L661 M664 V665 L668 P689 A690 L691 Q695 V696 L697 | L581-F693 HydrophobicContact CD1-CZ 3.95Å; L581-F693 HydrophobicContact CD2-CZ 4.08Å; L581-F693 HydrophobicContact CG-CZ 4.09Å; L585-F693 HydrophobicContact CB-CE2 4.41Å; L585-F693 HydrophobicContact CD1-CD2 4.02Å; L585-F693 HydrophobicContact CD1-CE2 4.16Å; L585-F693 HydrophobicContact CD2-CE2 4.21Å; L585-F693 HydrophobicContact CG-CE2 4.5Å; L661-F693 HydrophobicContact CD1-CB 4.36Å; L661-F693 HydrophobicContact CD1-CD2 4.23Å; M664-F693 HydrophobicContact CE-CB 3.68Å; M664-F693 HydrophobicContact CE-CD1 3.5Å; M664-F693 VanDerWaalsContact CE-CD1 3.5Å; M664-F693 HydrophobicContact CE-CD2 4.22Å; M664-F693 HydrophobicContact CE-CE1 4.15Å; M664-F693 HydrophobicContact CE-CG 3.54Å; M664-F693 HydrophobicContact SD-CD1 4.49Å; V665-F693 HydrophobicContact CG1-CE2 4.11Å; V665-F693 HydrophobicContact CG1-CZ 4.15Å; L668-F693 HydrophobicContact CD2-CE1 3.82Å; L668-F693 HydrophobicContact CD2-CZ 4.33Å; P689-F693 WeakPolarHBondContact O-CB 3.37Å; P689-F693 PolarHBondContact O-N 3.3Å; P689-F693 VanDerWaalsContact O-N 3.09Å; A690-F693 WeakPolarHBondContact O-CB 3.45Å; A690-F693 PolarHBondContact O-N 3.28Å; L691-F693 VanDerWaalsContact C-N 3.27Å; L691-F693 PolarHBondContact O-N 3.3Å; F693-Q695 PolarHBondContact O-N 3.28Å; F693-V696 HydrophobicContact CD2-CB 3.92Å; F693-V696 HydrophobicContact CD2-CG1 4.26Å; F693-V696 HydrophobicContact CD2-CG2 4.03Å; F693-V696 HydrophobicContact CE2-CB 3.99Å; F693-V696 HydrophobicContact CE2-CG1 3.81Å; F693-V696 HydrophobicContact CE2-CG2 4.38Å; F693-V696 HydrophobicContact CG-CB 4.45Å; F693-V696 HydrophobicContact CZ-CG1 4.3Å; F693-V696 WeakPolarHBondContact O-CA 3.45Å; F693-V696 VanDerWaalsContact O-CB 3.29Å; F693-V696 WeakPolarHBondContact O-CB 3.22Å; F693-V696 PolarHBondContact O-N 3Å; F693-L697 HydrophobicContact CD1-CD1 3.87Å; F693-L697 HydrophobicContact CD1-CD2 4.38Å; F693-L697 HydrophobicContact CD1-CG 3.81Å; F693-L697 HydrophobicContact CE1-CD1 4.03Å; F693-L697 HydrophobicContact CE1-CD2 3.74Å; F693-L697 HydrophobicContact CE1-CG 3.67Å; F693-L697 HydrophobicContact CZ-CD2 4.47Å; F693-L697 PolarHBondContact O-N 3.33Å |
| 694 | V | 95.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -37.1 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | F516 A690 L691 A692 V696 L697 Q698 I709 | F516-V694 HydrophobicContact CB-CB 4.45Å; F516-V694 HydrophobicContact CB-CG1 3.85Å; F516-V694 HydrophobicContact CB-CG2 3.78Å; F516-V694 HydrophobicContact CD2-CG1 3.55Å; F516-V694 HydrophobicContact CE2-CG1 4.31Å; F516-V694 HydrophobicContact CG-CG1 3.92Å; F516-V694 HydrophobicContact CG-CG2 4.46Å; A690-V694 PolarHBondContact O-N 2.91Å; L691-V694 VanDerWaalsContact O-CB 3.23Å; L691-V694 WeakPolarHBondContact O-CB 3.31Å; L691-V694 WeakPolarHBondContact O-CG2 3.43Å; L691-V694 PolarHBondContact O-N 3.04Å; L691-V694 VanDerWaalsContact O-N 3.16Å; A692-V694 PolarHBondContact O-N 2.74Å; V694-V696 VanDerWaalsContact C-N 3.28Å; V694-V696 PolarHBondContact O-N 3.11Å; V694-L697 WeakPolarHBondContact O-CB 3.35Å; V694-L697 PolarHBondContact O-N 2.65Å; V694-L697 VanDerWaalsContact O-N 3.16Å; V694-Q698 HydrophobicContact CG1-CG 4.28Å; V694-Q698 WeakPolarHBondContact O-CG 3.4Å; V694-Q698 PolarHBondContact O-N 2.83Å; V694-I709 HydrophobicContact CG2-CD1 4.18Å |
| 695 | Q | 93.6 | Very high | 94 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 177.7 | -61 | -171.1 | 36.9 | 0 | 0 | 112.3 | E591 A692 F693 S699 | E591-Q695 VanDerWaalsContact OE1-CD 3.31Å; E591-Q695 PolarHBondContact OE1-NE2 2.89Å; E591-Q695 PolarHBondContact OE1-OE1 3.46Å; A692-Q695 PolarHBondContact O-N 2.83Å; F693-Q695 PolarHBondContact O-N 3.28Å; Q695-S699 PolarHBondContact O-N 3.31Å; Q695-S699 PolarHBondContact O-OG 3.42Å |
| 696 | V | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | L581 L585 R588 F693 V694 Q698 S699 S700 | L581-V696 HydrophobicContact CD1-CG1 3.86Å; L585-V696 HydrophobicContact CB-CG1 4.13Å; L585-V696 HydrophobicContact CD1-CG2 4.17Å; R588-V696 HydrophobicContact CB-CG2 4.36Å; F693-V696 HydrophobicContact CD2-CB 3.92Å; F693-V696 HydrophobicContact CD2-CG1 4.26Å; F693-V696 HydrophobicContact CD2-CG2 4.03Å; F693-V696 HydrophobicContact CE2-CB 3.99Å; F693-V696 HydrophobicContact CE2-CG1 3.81Å; F693-V696 HydrophobicContact CE2-CG2 4.38Å; F693-V696 HydrophobicContact CG-CB 4.45Å; F693-V696 HydrophobicContact CZ-CG1 4.3Å; F693-V696 WeakPolarHBondContact O-CA 3.45Å; F693-V696 VanDerWaalsContact O-CB 3.29Å; F693-V696 WeakPolarHBondContact O-CB 3.22Å; F693-V696 PolarHBondContact O-N 3Å; V694-V696 VanDerWaalsContact C-N 3.28Å; V694-V696 PolarHBondContact O-N 3.11Å; V696-Q698 PolarHBondContact O-N 3.2Å; V696-S699 PolarHBondContact O-N 3.48Å; V696-S699 PolarHBondContact O-OG 3.46Å; V696-S699 VanDerWaalsContact O-OG 3.13Å; V696-S700 PolarHBondContact O-N 3.18Å; V696-S700 VanDerWaalsContact O-N 3.16Å |
| 697 | L | 95.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.7 | -69.8 | 170.3 | 0 | 0 | 0 | 112.7 | F516 L581 F693 V694 S699 S700 L702 V707 I709 | F516-L697 HydrophobicContact CD1-CD1 3.95Å; F516-L697 HydrophobicContact CE1-CB 3.93Å; F516-L697 HydrophobicContact CE1-CD1 4.01Å; F516-L697 HydrophobicContact CZ-CB 3.94Å; L581-L697 HydrophobicContact CD1-CD2 3.95Å; F693-L697 HydrophobicContact CD1-CD1 3.87Å; F693-L697 HydrophobicContact CD1-CD2 4.38Å; F693-L697 HydrophobicContact CD1-CG 3.81Å; F693-L697 HydrophobicContact CE1-CD1 4.03Å; F693-L697 HydrophobicContact CE1-CD2 3.74Å; F693-L697 HydrophobicContact CE1-CG 3.67Å; F693-L697 HydrophobicContact CZ-CD2 4.47Å; F693-L697 PolarHBondContact O-N 3.33Å; V694-L697 WeakPolarHBondContact O-CB 3.35Å; V694-L697 PolarHBondContact O-N 2.65Å; V694-L697 VanDerWaalsContact O-N 3.16Å; L697-S699 PolarHBondContact O-N 2.89Å; L697-S700 WeakPolarHBondContact O-CB 3.25Å; L697-S700 PolarHBondContact O-N 2.95Å; L697-S700 VanDerWaalsContact O-N 3.1Å; L697-S700 PolarHBondContact O-OG 3.17Å; L697-L702 HydrophobicContact CD2-CD1 3.85Å; L697-V707 HydrophobicContact CD1-CB 4.4Å; L697-V707 HydrophobicContact CD1-CG1 3.79Å; L697-V707 HydrophobicContact CD2-CB 4.18Å; L697-V707 HydrophobicContact CD2-CG1 4.13Å; L697-V707 HydrophobicContact CD2-CG2 4.27Å; L697-I709 HydrophobicContact CD1-CD1 3.73Å; L697-I709 HydrophobicContact CD1-CG1 4.47Å |
| 698 | Q | 93.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 24.9 Ų | 24.9 | 47% | 0.472 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.3 | -27.4 | 178.4 | -75 | 179.5 | -55.4 | 0 | 0 | 113.6 | F516 V694 V696 | F516-Q698 HydrophobicContact CD2-CG 4.33Å; F516-Q698 HydrophobicContact CE2-CG 3.7Å; V694-Q698 HydrophobicContact CG1-CG 4.28Å; V694-Q698 WeakPolarHBondContact O-CG 3.4Å; V694-Q698 PolarHBondContact O-N 2.83Å; V696-Q698 PolarHBondContact O-N 3.2Å |
| 699 | S | 90.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 49% | 0.49 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.7 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | Q695 V696 L697 | Q695-S699 PolarHBondContact O-N 3.31Å; Q695-S699 PolarHBondContact O-OG 3.42Å; V696-S699 PolarHBondContact O-N 3.48Å; V696-S699 PolarHBondContact O-OG 3.46Å; V696-S699 VanDerWaalsContact O-OG 3.13Å; L697-S699 PolarHBondContact O-N 2.89Å |
| 700 | S | 91.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 24.6 Ų | 24.6 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -91.8 | 154.9 | 178.6 | 78 | 0 | 0 | 0 | 0 | 112.3 | V696 L697 L702 | V696-S700 PolarHBondContact O-N 3.18Å; V696-S700 VanDerWaalsContact O-N 3.16Å; L697-S700 WeakPolarHBondContact O-CB 3.25Å; L697-S700 PolarHBondContact O-N 2.95Å; L697-S700 VanDerWaalsContact O-N 3.1Å; L697-S700 PolarHBondContact O-OG 3.17Å; S700-L702 PolarHBondContact O-N 2.83Å; S700-L702 VanDerWaalsContact O-N 3.12Å; S700-L702 WeakPolarHBondContact OG-CB 3.48Å; S700-L702 WeakPolarHBondContact OG-CG 3.33Å; S700-L702 PolarHBondContact OG-N 3.48Å |
| 701 | D | 90.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 24.6 Ų | 24.6 | 63% | 0.626 | 15% | 0.145 | S | C | * | . | trans | -79.5 | 18.1 | 174.7 | -58.8 | -43.3 | 0 | 0 | 0 | 113.3 | ||||
| 702 | L | 95.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 135.4 | 177.2 | -64.7 | 179.4 | 0 | 0 | 0 | 110 | W566 L581 I672 L697 S700 A704 L706 V707 | W566-L702 HydrophobicContact CH2-CD2 4.01Å; L581-L702 HydrophobicContact CD1-CD1 4.2Å; L581-L702 HydrophobicContact CD2-CD1 4.19Å; I672-L702 HydrophobicContact CD1-CD1 4.41Å; L697-L702 HydrophobicContact CD2-CD1 3.85Å; S700-L702 PolarHBondContact O-N 2.83Å; S700-L702 VanDerWaalsContact O-N 3.12Å; S700-L702 WeakPolarHBondContact OG-CB 3.48Å; S700-L702 WeakPolarHBondContact OG-CG 3.33Å; S700-L702 PolarHBondContact OG-N 3.48Å; L702-A704 PolarHBondContact O-N 2.7Å; L702-L706 HydrophobicContact CB-CD2 4.4Å; L702-L706 HydrophobicContact CD2-CD2 3.99Å; L702-V707 HydrophobicContact CD1-CG2 4.02Å |
| 703 | P | 96.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 25.9 Ų | 25.9 | 22% | 0.221 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 137.3 | 175 | -27.3 | 35.5 | 0 | 0 | 0 | 112.9 | V562 W566 G705 L706 | V562-P703 HydrophobicContact CG2-CB 3.24Å; V562-P703 HydrophobicContact CG2-CG 4.27Å; W566-P703 HydrophobicContact CE3-CG 3.81Å; W566-P703 HydrophobicContact CZ3-CG 4.24Å; P703-G705 PolarHBondContact O-N 3.48Å; P703-L706 HydrophobicContact CB-CB 4.43Å; P703-L706 WeakPolarHBondContact O-CB 3.48Å; P703-L706 PolarHBondContact O-N 3.39Å |
| 704 | A | 96.8 | Very high | 95.2 | Very high | 66 Ų | 66 | 27.5 Ų | 27.5 | 55% | 0.545 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 122.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L702 | L702-A704 PolarHBondContact O-N 2.7Š|
| 705 | G | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A559 P703 V707 N708 | A559-G705 WeakPolarHBondContact CA-O 3.44Å; P703-G705 PolarHBondContact O-N 3.48Å; G705-V707 VanDerWaalsContact C-N 3.33Å; G705-N708 PolarHBondContact O-ND2 3.49Å |
| 706 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -65.6 | -41 | 174.2 | -179.1 | 67.9 | 0 | 0 | 0 | 111.1 | V562 W566 I672 N676 A677 V678 L702 P703 | V562-L706 HydrophobicContact CG1-CB 4.39Å; W566-L706 HydrophobicContact CB-CD1 3.91Å; W566-L706 VanDerWaalsContact CD1-CD1 3.46Å; W566-L706 HydrophobicContact CD2-CD1 4.08Å; W566-L706 HydrophobicContact CD2-CD2 3.62Å; W566-L706 HydrophobicContact CE3-CD2 3.96Å; W566-L706 HydrophobicContact CG-CD1 3.54Å; W566-L706 HydrophobicContact CG-CD2 4.03Å; W566-L706 HydrophobicContact CG-CG 4.46Å; W566-L706 HydrophobicContact CH2-CD2 4.24Å; W566-L706 HydrophobicContact CZ2-CD2 3.93Å; W566-L706 HydrophobicContact CZ3-CD2 4.24Å; I672-L706 HydrophobicContact CG2-CD2 4.47Å; I672-L706 HydrophobicContact CG2-CG 4.4Å; N676-L706 WeakPolarHBondContact O-CD1 3.48Å; A677-L706 CarbonylContact C-O 3.56Å; A677-L706 WeakPolarHBondContact CA-O 3.44Å; A677-L706 HydrophobicContact CB-CD1 3.95Å; V678-L706 PolarHBondContact N-O 2.89Å; L702-L706 HydrophobicContact CB-CD2 4.4Å; L702-L706 HydrophobicContact CD2-CD2 3.99Å; P703-L706 HydrophobicContact CB-CB 4.43Å; P703-L706 WeakPolarHBondContact O-CB 3.48Å; P703-L706 PolarHBondContact O-N 3.39Å |
| 707 | V | 98.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.4 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | F516 L668 I672 V678 M680 L697 L702 G705 | F516-V707 VanDerWaalsContact CD1-O 3.28Å; F516-V707 WeakPolarHBondContact CD1-O 3.4Å; F516-V707 WeakPolarHBondContact CE1-O 3.34Å; L668-V707 HydrophobicContact CD1-CB 4.46Å; L668-V707 HydrophobicContact CD1-CG1 3.91Å; L668-V707 HydrophobicContact CD1-CG2 3.69Å; I672-V707 HydrophobicContact CG2-CG2 4.24Å; V678-V707 HydrophobicContact CG2-CB 4.2Å; V678-V707 HydrophobicContact CG2-CG1 3.97Å; V678-V707 HydrophobicContact CG2-CG2 4.13Å; M680-V707 HydrophobicContact SD-CG1 4.41Å; L697-V707 HydrophobicContact CD1-CB 4.4Å; L697-V707 HydrophobicContact CD1-CG1 3.79Å; L697-V707 HydrophobicContact CD2-CB 4.18Å; L697-V707 HydrophobicContact CD2-CG1 4.13Å; L697-V707 HydrophobicContact CD2-CG2 4.27Å; L702-V707 HydrophobicContact CD1-CG2 4.02Å; G705-V707 VanDerWaalsContact C-N 3.33Å |
| 708 | N | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135 | 174.7 | -52.1 | -88.7 | 0 | 0 | 0 | 108.2 | F516 G518 A555 T558 V678 V679 M680 G705 | F516-N708 CarbonylContact O-C 3.35Å; F516-N708 VanDerWaalsContact O-CA 3.24Å; F516-N708 WeakPolarHBondContact O-CA 3.11Å; G518-N708 PolarHBondContact N-OD1 3.1Å; A555-N708 HydrophobicContact CB-CB 3.7Å; T558-N708 PolarHBondContact OG1-OD1 3.17Å; V678-N708 PolarHBondContact O-N 3.15Å; V678-N708 PolarHBondContact O-ND2 3.4Å; V678-N708 VanDerWaalsContact O-ND2 3.13Å; V679-N708 HydrophobicContact CG2-CB 4.5Å; M680-N708 PolarHBondContact N-O 3.24Å; G705-N708 PolarHBondContact O-ND2 3.49Å |
| 709 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.8 | 179.1 | -59.9 | 176.8 | 0 | 0 | 0 | 107.5 | Q515 F516 M664 M680 P682 V694 L697 | Q515-I709 WeakPolarHBondContact CB-O 3.39Å; F516-I709 HydrophobicContact CB-CB 4.25Å; F516-I709 PolarHBondContact N-O 3.04Å; F516-I709 PolarHBondContact O-N 2.88Å; M664-I709 HydrophobicContact SD-CD1 4.45Å; M680-I709 HydrophobicContact CB-CG1 4.49Å; M680-I709 WeakPolarHBondContact O-CA 3.44Å; P682-I709 HydrophobicContact CG-CG2 4.15Å; V694-I709 HydrophobicContact CG2-CD1 4.18Å; L697-I709 HydrophobicContact CD1-CD1 3.73Å; L697-I709 HydrophobicContact CD1-CG1 4.47Å |
| 710 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -122.5 | 117.1 | -179.7 | -57 | 173.4 | 0 | 0 | 0 | 108.3 | V517 D551 V552 A555 V679 M680 V681 P682 L717 | V517-I710 HydrophobicContact CG2-CG1 4.31Å; D551-I710 HydrophobicContact CB-CD1 4.28Å; D551-I710 HydrophobicContact CB-CG2 4.11Å; V552-I710 HydrophobicContact CB-CD1 4.27Å; V552-I710 HydrophobicContact CG2-CD1 3.79Å; A555-I710 HydrophobicContact CB-CD1 3.8Å; V679-I710 HydrophobicContact CG1-CD1 3.74Å; V679-I710 HydrophobicContact CG1-CG1 4.47Å; M680-I710 PolarHBondContact O-N 3.07Å; V681-I710 WeakPolarHBondContact CA-O 3.28Å; P682-I710 WeakPolarHBondContact CD-O 3.36Å; I710-L717 HydrophobicContact CG2-CD1 4.15Å; I710-L717 HydrophobicContact CG2-CD2 3.76Å | ||
| 711 | T | 96.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | trans | -88.3 | 158.6 | 173.2 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | C544 P545 G547 P682 P687 L691 | C544-T711 HydrophobicContact CB-CG2 4.4Å; P545-T711 WeakPolarHBondContact CD-OG1 3.39Å; P545-T711 CarbonylContact O-C 3.48Å; P545-T711 WeakPolarHBondContact O-CB 3.37Å; P545-T711 VanDerWaalsContact O-O 3.12Å; P545-T711 PolarHBondContact O-OG1 2.99Å; G547-T711 VanDerWaalsContact CA-O 3.25Å; G547-T711 WeakPolarHBondContact CA-O 3.39Å; G547-T711 PolarHBondContact N-O 2.65Å; P682-T711 HydrophobicContact CG-CG2 3.59Å; P687-T711 HydrophobicContact CB-CG2 4.05Å; L691-T711 HydrophobicContact CD1-CG2 4.08Å; L691-T711 HydrophobicContact CD2-CG2 3.74Å; L691-T711 HydrophobicContact CG-CG2 4.13Å | ||
| 712 | G | 92.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 147.9 | -166.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D546 R714 | D546-G712 WeakPolarHBondContact OD1-CA 3.32Å; G712-R714 PolarHBondContact O-N 2.61Å |
| 713 | N | 93.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 18.5 Ų | 18.5 | 14% | 0.139 | 11% | 0.111 | C | C | . | . | trans | -63.1 | 124.5 | 174.4 | 179.8 | -74.9 | 0 | 0 | 0 | 111.4 | D546 D715 Q716 L717 | D546-N713 PolarHBondContact OD1-N 2.71Å; N713-D715 VanDerWaalsContact C-N 3.33Å; N713-D715 PolarHBondContact O-N 3.21Å; N713-D715 PolarHBondContact OD1-N 2.82Å; N713-Q716 HydrophobicContact CB-CB 4.04Å; N713-Q716 HydrophobicContact CB-CG 4.04Å; N713-Q716 PolarHBondContact O-N 3.47Å; N713-Q716 PolarHBondContact OD1-N 3.41Å; N713-L717 WeakPolarHBondContact O-CG 3.04Å; N713-L717 PolarHBondContact O-N 3.02Å | ||
| 714 | R | 93.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 13% | 0.132 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.8 | -46.5 | -176.8 | 179.4 | -177.2 | 65.2 | -159.3 | -7 | 112.4 | V654 G712 L717 T718 D760 | V654-R714 HydrophobicContact CG1-CG 3.77Å; G712-R714 PolarHBondContact O-N 2.61Å; R714-L717 PolarHBondContact O-N 3.25Å; R714-T718 WeakPolarHBondContact O-CB 3.28Å; R714-T718 PolarHBondContact O-N 3.15Å; R714-T718 PolarHBondContact O-OG1 3.43Å; R714-D760 IonicContact CZ-OD1 3.22Å; R714-D760 IonicContact NH1-OD1 3.93Å; R714-D760 PolarHBondContact NH1-OD1 2.83Å; R714-D760 IonicContact NH2-OD1 2.63Å; R714-D760 PolarHBondContact NH2-OD1 3.44Å; R714-D760 IonicContact NH2-OD2 3.6Å |
| 715 | D | 94.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 14% | 0.144 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.9 | -40 | -171.2 | -66.6 | -2.3 | 0 | 0 | 0 | 110.7 | F491 N713 L717 T718 V719 | F491-D715 HydrophobicContact CE1-CB 4.01Å; F491-D715 HydrophobicContact CE2-CB 4.04Å; F491-D715 HydrophobicContact CZ-CB 3.6Å; F491-D715 VanDerWaalsContact CZ-CG 3.47Å; N713-D715 VanDerWaalsContact C-N 3.33Å; N713-D715 PolarHBondContact O-N 3.21Å; N713-D715 PolarHBondContact OD1-N 2.82Å; D715-L717 VanDerWaalsContact C-N 3.34Å; D715-L717 PolarHBondContact O-N 3.02Å; D715-T718 WeakPolarHBondContact O-CB 3.48Å; D715-T718 PolarHBondContact O-N 2.82Å; D715-V719 VanDerWaalsContact O-CG2 3.32Å; D715-V719 WeakPolarHBondContact O-CG2 3.2Å; D715-V719 PolarHBondContact O-N 3.17Å |
| 716 | Q | 95.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 20.7 Ų | 20.7 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 170.9 | -76.3 | 179.5 | 17.4 | 0 | 0 | 112.1 | G492 E494 N713 V719 A720 | G492-Q716 WeakPolarHBondContact O-CG 3.39Å; E494-Q716 PolarHBondContact O-NE2 3.1Å; N713-Q716 HydrophobicContact CB-CB 4.04Å; N713-Q716 HydrophobicContact CB-CG 4.04Å; N713-Q716 PolarHBondContact O-N 3.47Å; N713-Q716 PolarHBondContact OD1-N 3.41Å; Q716-V719 WeakPolarHBondContact O-CB 3.41Å; Q716-V719 PolarHBondContact O-N 2.88Å; Q716-A720 PolarHBondContact O-N 2.77Å; Q716-A720 VanDerWaalsContact O-N 3.07Å |
| 717 | L | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 178.5 | -68.7 | 172.4 | 0 | 0 | 0 | 111.6 | G547 V552 V681 I710 N713 R714 D715 V719 A720 L721 | G547-L717 WeakPolarHBondContact O-CD2 3.14Å; V552-L717 HydrophobicContact CG2-CD2 3.66Å; V681-L717 HydrophobicContact CB-CD1 4.41Å; V681-L717 HydrophobicContact CG1-CB 4.15Å; V681-L717 HydrophobicContact CG1-CD1 3.54Å; V681-L717 HydrophobicContact CG2-CB 3.88Å; V681-L717 HydrophobicContact CG2-CD1 4.03Å; V681-L717 HydrophobicContact CG2-CG 4.49Å; I710-L717 HydrophobicContact CG2-CD1 4.15Å; I710-L717 HydrophobicContact CG2-CD2 3.76Å; N713-L717 WeakPolarHBondContact O-CG 3.04Å; N713-L717 PolarHBondContact O-N 3.02Å; R714-L717 PolarHBondContact O-N 3.25Å; D715-L717 VanDerWaalsContact C-N 3.34Å; D715-L717 PolarHBondContact O-N 3.02Å; L717-V719 PolarHBondContact O-N 3.07Å; L717-A720 WeakPolarHBondContact O-CB 3.49Å; L717-A720 PolarHBondContact O-N 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.29Å; L717-L721 WeakPolarHBondContact O-CG 3.41Å; L717-L721 PolarHBondContact O-N 2.95Å |
| 718 | T | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 173 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | F491 R714 D715 A720 L721 A722 Y732 Y741 L742 | F491-T718 HydrophobicContact CE1-CG2 4.29Å; R714-T718 WeakPolarHBondContact O-CB 3.28Å; R714-T718 PolarHBondContact O-N 3.15Å; R714-T718 PolarHBondContact O-OG1 3.43Å; D715-T718 WeakPolarHBondContact O-CB 3.48Å; D715-T718 PolarHBondContact O-N 2.82Å; T718-A720 VanDerWaalsContact C-N 3.34Å; T718-A720 PolarHBondContact O-N 3.15Å; T718-L721 PolarHBondContact O-N 3.05Å; T718-A722 VanDerWaalsContact O-CB 3.25Å; T718-A722 WeakPolarHBondContact O-CB 3.25Å; T718-A722 PolarHBondContact O-N 3.4Å; T718-Y732 HydrophobicContact CG2-CD2 4.23Å; T718-Y732 HydrophobicContact CG2-CE2 3.96Å; T718-Y732 WeakPolarHBondContact OG1-CE2 3.37Å; T718-Y741 HydrophobicContact CG2-CD1 4.48Å; T718-L742 HydrophobicContact CG2-CD1 4.07Å; T718-L742 HydrophobicContact CG2-CD2 3.88Å; T718-L742 HydrophobicContact CG2-CG 3.91Å |
| 719 | V | 97.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 20% | 0.2 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | F491 D715 Q716 L717 L721 A722 N723 Y741 | F491-V719 HydrophobicContact CD1-CG2 3.57Å; F491-V719 HydrophobicContact CE1-CG2 4.05Å; F491-V719 VanDerWaalsContact O-CG2 3.28Å; F491-V719 WeakPolarHBondContact O-CG2 3.48Å; D715-V719 VanDerWaalsContact O-CG2 3.32Å; D715-V719 WeakPolarHBondContact O-CG2 3.2Å; D715-V719 PolarHBondContact O-N 3.17Å; Q716-V719 WeakPolarHBondContact O-CB 3.41Å; Q716-V719 PolarHBondContact O-N 2.88Å; L717-V719 PolarHBondContact O-N 3.07Å; V719-L721 PolarHBondContact O-N 2.99Å; V719-A722 PolarHBondContact O-N 2.9Å; V719-N723 WeakPolarHBondContact O-CB 3.11Å; V719-N723 PolarHBondContact O-N 3.32Å; V719-N723 VanDerWaalsContact O-N 3.1Å; V719-N723 PolarHBondContact O-ND2 3.03Å; V719-Y741 HydrophobicContact CB-CE1 4.46Å; V719-Y741 HydrophobicContact CG2-CE1 3.97Å; V719-Y741 HydrophobicContact CG2-CE2 4.38Å |
| 720 | A | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R549 V552 Q716 L717 T718 H724 | R549-A720 HydrophobicContact CB-CB 4.25Å; R549-A720 HydrophobicContact CG-CB 4.33Å; V552-A720 HydrophobicContact CB-CB 4Å; V552-A720 HydrophobicContact CG1-CB 4.15Å; V552-A720 HydrophobicContact CG2-CB 3.8Å; Q716-A720 PolarHBondContact O-N 2.77Å; Q716-A720 VanDerWaalsContact O-N 3.07Å; L717-A720 WeakPolarHBondContact O-CB 3.49Å; L717-A720 PolarHBondContact O-N 3.48Å; T718-A720 VanDerWaalsContact C-N 3.34Å; T718-A720 PolarHBondContact O-N 3.15Å; A720-H724 PolarHBondContact O-N 3.16Å |
| 721 | L | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -47.6 | 175.9 | -66.4 | 171.5 | 0 | 0 | 0 | 111.5 | V552 V654 V679 V681 L717 T718 V719 N723 H724 I727 I730 | V552-L721 HydrophobicContact CG1-CD2 3.85Å; V552-L721 HydrophobicContact CG1-CG 4.48Å; V654-L721 HydrophobicContact CG2-CD1 3.86Å; V679-L721 HydrophobicContact CB-CD2 4.23Å; V679-L721 HydrophobicContact CG1-CD2 3.98Å; V681-L721 HydrophobicContact CG2-CD1 3.95Å; L717-L721 VanDerWaalsContact O-CG 3.29Å; L717-L721 WeakPolarHBondContact O-CG 3.41Å; L717-L721 PolarHBondContact O-N 2.95Å; T718-L721 PolarHBondContact O-N 3.05Å; V719-L721 PolarHBondContact O-N 2.99Å; L721-N723 VanDerWaalsContact C-N 3.32Å; L721-N723 PolarHBondContact O-N 3.3Å; L721-H724 PolarHBondContact O-N 3.48Å; L721-I727 HydrophobicContact CB-CD1 4.08Å; L721-I727 HydrophobicContact CD2-CD1 3.46Å; L721-I727 VanDerWaalsContact CD2-CD1 3.46Å; L721-I727 HydrophobicContact CG-CD1 4.38Å; L721-I730 HydrophobicContact CB-CD1 4.16Å |
| 722 | A | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T718 V719 H724 I730 Y741 L742 T745 K751 | T718-A722 VanDerWaalsContact O-CB 3.25Å; T718-A722 WeakPolarHBondContact O-CB 3.25Å; T718-A722 PolarHBondContact O-N 3.4Å; V719-A722 PolarHBondContact O-N 2.9Å; A722-H724 VanDerWaalsContact C-N 3.33Å; A722-I730 HydrophobicContact CB-CD1 4.34Å; A722-Y741 HydrophobicContact CB-CD1 4.46Å; A722-Y741 HydrophobicContact CB-CE1 3.75Å; A722-L742 HydrophobicContact CB-CD2 3.83Å; A722-T745 HydrophobicContact CB-CG2 4.28Å; A722-K751 WeakPolarHBondContact O-CE 3.5Å; A722-K751 PolarHBondContact O-NZ 3.05Å |
| 723 | N | 95.4 | Very high | 95.8 | Very high | 89 Ų | 89 | 24.3 Ų | 24.3 | 48% | 0.476 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.2 | -177.8 | -70.3 | -68.9 | 0 | 0 | 0 | 113.8 | V719 L721 Y741 | V719-N723 WeakPolarHBondContact O-CB 3.11Å; V719-N723 PolarHBondContact O-N 3.32Å; V719-N723 VanDerWaalsContact O-N 3.1Å; V719-N723 PolarHBondContact O-ND2 3.03Å; L721-N723 VanDerWaalsContact C-N 3.32Å; L721-N723 PolarHBondContact O-N 3.3Å; N723-Y741 PolarHBondContact ND2-OH 3.34Å |
| 724 | H | 96.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 23 Ų | 23 | 16% | 0.157 | 12% | 0.123 | C | C | . | . | trans | -81.8 | 121.9 | 178.5 | -157 | -66.1 | 0 | 0 | 0 | 110.8 | V556 A720 L721 A722 V726 I727 K751 | V556-H724 WeakPolarHBondContact CG1-CE1 3.48Å; A720-H724 PolarHBondContact O-N 3.16Å; L721-H724 PolarHBondContact O-N 3.48Å; A722-H724 VanDerWaalsContact C-N 3.33Å; H724-V726 PolarHBondContact ND1-N 3.2Å; H724-V726 PolarHBondContact O-N 2.95Å; H724-I727 HydrophobicContact CB-CD1 3.85Å; H724-I727 HydrophobicContact CB-CG1 4.01Å; H724-I727 PolarHBondContact O-N 3.38Å; H724-K751 WeakPolarHBondContact O-CE 3.28Å; H724-K751 PolarHBondContact O-NZ 2.85Å | ||
| 725 | S | 92.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 21.6 Ų | 21.6 | 55% | 0.545 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.7 | -174.6 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 726 | V | 94.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 21.5 Ų | 21.5 | 21% | 0.206 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.4 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | V556 I560 V650 H724 K728 | V556-V726 HydrophobicContact CG1-CB 3.71Å; V556-V726 HydrophobicContact CG1-CG1 3.65Å; V556-V726 HydrophobicContact CG1-CG2 4.39Å; I560-V726 HydrophobicContact CB-CG1 4.02Å; I560-V726 HydrophobicContact CD1-CB 4.47Å; I560-V726 HydrophobicContact CD1-CG1 3.63Å; I560-V726 HydrophobicContact CD1-CG2 3.95Å; I560-V726 HydrophobicContact CG1-CG1 3.9Å; V650-V726 HydrophobicContact CB-CG1 4.42Å; V650-V726 HydrophobicContact CG2-CG1 4.13Å; H724-V726 PolarHBondContact ND1-N 3.2Å; H724-V726 PolarHBondContact O-N 2.95Å; V726-K728 WeakPolarHBondContact O-CG 3.4Å; V726-K728 PolarHBondContact O-N 3.28Å |
| 727 | I | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.4 | -178.3 | -66.3 | -179.6 | 0 | 0 | 0 | 108.6 | V556 V650 L721 H724 A729 I730 K751 | V556-I727 HydrophobicContact CG2-CD1 3.94Å; V556-I727 HydrophobicContact CG2-CG1 3.99Å; V650-I727 HydrophobicContact CG1-CG1 4.35Å; L721-I727 HydrophobicContact CB-CD1 4.08Å; L721-I727 HydrophobicContact CD2-CD1 3.46Å; L721-I727 VanDerWaalsContact CD2-CD1 3.46Å; L721-I727 HydrophobicContact CG-CD1 4.38Å; H724-I727 HydrophobicContact CB-CD1 3.85Å; H724-I727 HydrophobicContact CB-CG1 4.01Å; H724-I727 PolarHBondContact O-N 3.38Å; I727-A729 VanDerWaalsContact CG2-O 3.22Å; I727-A729 WeakPolarHBondContact CG2-O 3.46Å; I727-I730 HydrophobicContact CG2-CG1 3.91Å; I727-K751 HydrophobicContact CG2-CD 4.35Å; I727-K751 WeakPolarHBondContact O-CD 3.46Å; I727-K751 WeakPolarHBondContact O-CE 3.39Å |
| 728 | K | 95.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 22.9 Ų | 22.9 | 36% | 0.361 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -28.9 | -173.7 | -59.3 | -55.5 | -173.6 | -178.5 | 0 | 112.9 | L648 V650 V726 K751 T752 | L648-K728 WeakPolarHBondContact O-CB 3.44Å; L648-K728 VanDerWaalsContact O-CG 3.25Å; L648-K728 WeakPolarHBondContact O-CG 3.13Å; V650-K728 PolarHBondContact O-N 3.04Å; V726-K728 WeakPolarHBondContact O-CG 3.4Å; V726-K728 PolarHBondContact O-N 3.28Å; K728-K751 WeakPolarHBondContact O-CA 3.39Å; K728-T752 PolarHBondContact O-N 2.85Å |
| 729 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L648 V651 G652 I727 T752 | L648-A729 HydrophobicContact CD1-CB 3.73Å; V651-A729 WeakPolarHBondContact CA-O 3.19Å; V651-A729 HydrophobicContact CG1-CB 4.24Å; V651-A729 HydrophobicContact CG2-CB 4.36Å; G652-A729 PolarHBondContact N-O 3.1Å; I727-A729 VanDerWaalsContact CG2-O 3.22Å; I727-A729 WeakPolarHBondContact CG2-O 3.46Å; A729-T752 CarbonylContact C-O 3.5Å; A729-T752 WeakPolarHBondContact CA-O 3.4Å; A729-T752 WeakPolarHBondContact CB-O 3.45Å |
| 730 | I | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.5 | 173.5 | -62.1 | 176.7 | 0 | 0 | 0 | 108.9 | G652 L721 A722 I727 L742 K751 T752 L753 R754 | G652-I730 CarbonylContact O-C 3.5Å; G652-I730 VanDerWaalsContact O-CA 3.28Å; G652-I730 WeakPolarHBondContact O-CA 3.35Å; L721-I730 HydrophobicContact CB-CD1 4.16Å; A722-I730 HydrophobicContact CB-CD1 4.34Å; I727-I730 HydrophobicContact CG2-CG1 3.91Å; I730-L742 HydrophobicContact CD1-CD2 3.71Å; I730-L742 HydrophobicContact CG2-CD1 4.02Å; I730-L742 HydrophobicContact CG2-CD2 4.12Å; I730-K751 HydrophobicContact CD1-CD 4.03Å; I730-K751 HydrophobicContact CG1-CD 4.33Å; I730-T752 PolarHBondContact N-O 3.21Å; I730-L753 HydrophobicContact CB-CD2 3.95Å; I730-L753 WeakPolarHBondContact O-CA 3.17Å; I730-R754 PolarHBondContact O-N 2.96Å |
| 731 | W | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.2 | 168.4 | -59.4 | -4.5 | 0 | 0 | 0 | 107.9 | V651 G652 I653 V654 V667 A670 A671 W733 R754 L781 N784 A785 | V651-W731 HydrophobicContact CG1-CD2 4.35Å; V651-W731 HydrophobicContact CG1-CG 4.36Å; G652-W731 PolarHBondContact O-N 2.68Å; I653-W731 CarbonylContact C-O 3.38Å; I653-W731 WeakPolarHBondContact CA-O 3.28Å; I653-W731 HydrophobicContact CD1-CE3 3.94Å; I653-W731 HydrophobicContact CD1-CZ3 4.3Å; I653-W731 HydrophobicContact CG1-CB 4.39Å; I653-W731 HydrophobicContact CG1-CE3 4.25Å; I653-W731 HydrophobicContact CG2-CB 4.39Å; V654-W731 PolarHBondContact N-O 3.25Å; V667-W731 HydrophobicContact CB-CE3 4.01Å; V667-W731 HydrophobicContact CB-CZ3 3.9Å; V667-W731 WeakPolarHBondContact O-CZ3 3.34Å; A670-W731 HydrophobicContact CB-CH2 4.03Å; A670-W731 HydrophobicContact CB-CZ3 4.31Å; A671-W731 HydrophobicContact CB-CH2 4.24Å; A671-W731 HydrophobicContact CB-CZ3 4.44Å; W731-W733 HydrophobicContact CB-CH2 4.29Å; W731-W733 HydrophobicContact CB-CZ3 3.73Å; W731-W733 HydrophobicContact CE3-CH2 4.49Å; W731-R754 WeakPolarHBondContact CA-O 3.41Å; W731-R754 HydrophobicContact CG-CB 4.17Å; W731-L781 HydrophobicContact CZ3-CD2 4.23Å; W731-N784 HydrophobicContact CZ2-CB 4.37Å; W731-N784 WeakPolarHBondContact CZ2-O 3.17Å; W731-N784 PolarHBondContact NE1-O 3.41Å; W731-A785 HydrophobicContact CH2-CB 3.94Å; W731-A785 HydrophobicContact CZ2-CB 3.82Å |
| 732 | Y | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.8 | -168.3 | 179.6 | -93.4 | 0 | 0 | 0 | 111 | V654 T718 S735 G738 L742 R754 L755 S756 | V654-Y732 HydrophobicContact CB-CD2 3.65Å; V654-Y732 HydrophobicContact CB-CE2 4.18Å; V654-Y732 HydrophobicContact CG1-CD2 3.93Å; V654-Y732 HydrophobicContact CG1-CE2 3.94Å; V654-Y732 HydrophobicContact CG2-CD2 3.83Å; V654-Y732 HydrophobicContact CG2-CE2 4.33Å; T718-Y732 HydrophobicContact CG2-CD2 4.23Å; T718-Y732 HydrophobicContact CG2-CE2 3.96Å; T718-Y732 WeakPolarHBondContact OG1-CE2 3.37Å; Y732-S735 WeakPolarHBondContact CE1-O 3.41Å; Y732-S735 PolarHBondContact OH-N 3.28Å; Y732-S735 PolarHBondContact OH-OG 3.2Å; Y732-G738 WeakPolarHBondContact OH-CA 3.32Å; Y732-L742 HydrophobicContact CD1-CD1 4.04Å; Y732-L742 HydrophobicContact CD2-CD1 3.59Å; Y732-L742 HydrophobicContact CE2-CD1 4.32Å; Y732-L742 HydrophobicContact CG-CD1 3.44Å; Y732-L742 VanDerWaalsContact CG-CD1 3.44Å; Y732-R754 PolarHBondContact N-O 3.34Å; Y732-L755 HydrophobicContact CG-CD2 4.49Å; Y732-S756 PolarHBondContact O-N 3.03Å |
| 733 | W | 92.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.8 | 164.3 | -70.6 | -96.7 | 0 | 0 | 0 | 108.8 | I653 V654 P656 V667 W731 S756 W770 | I653-W733 HydrophobicContact CG2-CZ3 4.31Å; V654-W733 PolarHBondContact O-N 2.85Å; P656-W733 HydrophobicContact CB-CB 3.67Å; P656-W733 HydrophobicContact CB-CD2 4.47Å; P656-W733 HydrophobicContact CB-CG 3.75Å; P656-W733 HydrophobicContact CG-CB 4.46Å; P656-W733 HydrophobicContact CG-CD2 4.47Å; P656-W733 HydrophobicContact CG-CG 4.23Å; V667-W733 HydrophobicContact CG1-CH2 3.53Å; V667-W733 HydrophobicContact CG1-CZ2 4.26Å; V667-W733 HydrophobicContact CG1-CZ3 4.02Å; W731-W733 HydrophobicContact CB-CH2 4.29Å; W731-W733 HydrophobicContact CB-CZ3 3.73Å; W731-W733 HydrophobicContact CE3-CH2 4.49Å; W733-S756 VanDerWaalsContact CA-O 3.32Å; W733-S756 WeakPolarHBondContact CA-O 3.48Å; W733-S756 VanDerWaalsContact CD1-OG 3.31Å; W733-W770 AromaticContact CZ2-CH2 3.89Å; W733-W770 HydrophobicContact CZ2-CH2 3.89Å; W733-W770 HydrophobicContact CZ2-CZ2 4.33Å |
| 734 | G | 89.3 | Confident | 94.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | -153.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S756 W757 Q758 | G734-S756 PolarHBondContact N-O 2.83Å; G734-W757 CarbonylContact O-C 3.53Å; G734-W757 VanDerWaalsContact O-CA 3.25Å; G734-W757 WeakPolarHBondContact O-CA 3.42Å; G734-Q758 PolarHBondContact O-N 3.18Å |
| 735 | S | 90 | Very high | 94.2 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | trans | -65 | 154 | -174.7 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | Y732 Q737 G738 C739 | Y732-S735 WeakPolarHBondContact CE1-O 3.41Å; Y732-S735 PolarHBondContact OH-N 3.28Å; Y732-S735 PolarHBondContact OH-OG 3.2Å; S735-Q737 PolarHBondContact O-N 3.41Å; S735-G738 PolarHBondContact O-N 3.08Å; S735-G738 VanDerWaalsContact O-N 3.13Å; S735-G738 PolarHBondContact OG-N 3.29Å; S735-G738 VanDerWaalsContact OG-N 3.07Å; S735-C739 PolarHBondContact O-N 3.41Å; S735-C739 VanDerWaalsContact O-N 3.09Å | ||
| 736 | A | 89.5 | Confident | 94.3 | Very high | 24 Ų | 24 | 17.2 Ų | 17.2 | 20% | 0.198 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.9 | -34.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P481 C739 Q740 | P481-A736 HydrophobicContact CB-CB 3.7Å; A736-C739 PolarHBondContact O-N 2.84Å; A736-Q740 WeakPolarHBondContact O-CB 3.41Å; A736-Q740 PolarHBondContact O-N 3.37Å |
| 737 | Q | 92.5 | Very high | 94 | Very high | 79 Ų | 79 | 15.9 Ų | 15.9 | 37% | 0.369 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.7 | -69.3 | 170.5 | -26.9 | 0 | 0 | 111.8 | V484 F491 S735 Q740 Y741 | V484-Q737 HydrophobicContact CB-CG 4.4Å; V484-Q737 HydrophobicContact CG1-CG 4.36Å; V484-Q737 HydrophobicContact CG2-CG 4.45Å; F491-Q737 HydrophobicContact CE2-CB 4.05Å; S735-Q737 PolarHBondContact O-N 3.41Å; Q737-Q740 PolarHBondContact O-N 3Å; Q737-Y741 WeakPolarHBondContact O-CB 3.29Å; Q737-Y741 PolarHBondContact O-N 3.26Å |
| 738 | G | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y732 S735 Q740 Y741 L742 | Y732-G738 WeakPolarHBondContact OH-CA 3.32Å; S735-G738 PolarHBondContact O-N 3.08Å; S735-G738 VanDerWaalsContact O-N 3.13Å; S735-G738 PolarHBondContact OG-N 3.29Å; S735-G738 VanDerWaalsContact OG-N 3.07Å; G738-Q740 PolarHBondContact O-N 2.98Å; G738-Y741 PolarHBondContact O-N 3.48Å; G738-L742 WeakPolarHBondContact O-CB 3.27Å; G738-L742 VanDerWaalsContact O-CG 3.29Å; G738-L742 WeakPolarHBondContact O-CG 3.36Å; G738-L742 PolarHBondContact O-N 2.54Å |
| 739 | C | 93.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 5% | 0.054 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 171.3 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | S735 A736 Y741 L742 Q743 L755 | S735-C739 PolarHBondContact O-N 3.41Å; S735-C739 VanDerWaalsContact O-N 3.09Å; A736-C739 PolarHBondContact O-N 2.84Å; C739-Y741 PolarHBondContact O-N 2.95Å; C739-L742 PolarHBondContact O-N 3.4Å; C739-Q743 WeakPolarHBondContact O-CG 3.24Å; C739-Q743 PolarHBondContact O-N 3.4Å; C739-L755 HydrophobicContact CB-CD1 4.32Å |
| 740 | Q | 94.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 5% | 0.051 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.7 | 178.9 | 171.1 | -17.4 | 0 | 0 | 111.8 | A257 V484 L486 Y488 A736 Q737 G738 L742 Q743 H744 | A257-Q740 HydrophobicContact CB-CG 4.34Å; V484-Q740 PolarHBondContact O-NE2 2.81Å; V484-Q740 PolarHBondContact O-OE1 3.46Å; L486-Q740 HydrophobicContact CD2-CG 4.46Å; Y488-Q740 HydrophobicContact CE1-CG 4.21Å; Y488-Q740 PolarHBondContact OH-NE2 2.94Å; A736-Q740 WeakPolarHBondContact O-CB 3.41Å; A736-Q740 PolarHBondContact O-N 3.37Å; Q737-Q740 PolarHBondContact O-N 3Å; G738-Q740 PolarHBondContact O-N 2.98Å; Q740-L742 PolarHBondContact O-N 3.23Å; Q740-Q743 PolarHBondContact O-N 3.5Å; Q740-H744 WeakPolarHBondContact O-CB 3.22Å; Q740-H744 PolarHBondContact O-N 2.72Å; Q740-H744 VanDerWaalsContact O-N 3.1Å |
| 741 | Y | 95.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 177.5 | 178.9 | -94.1 | 0 | 0 | 0 | 111.8 | Y488 F491 T718 V719 A722 N723 Q737 G738 C739 H744 T745 | Y488-Y741 HydrophobicContact CD1-CD2 4.03Å; Y488-Y741 WeakPolarHBondContact O-CE2 3.19Å; F491-Y741 HydrophobicContact CB-CD2 3.64Å; F491-Y741 HydrophobicContact CB-CE2 3.98Å; F491-Y741 HydrophobicContact CB-CG 4.38Å; F491-Y741 AromaticContact CD1-CD1 3.67Å; F491-Y741 HydrophobicContact CD1-CD1 3.67Å; F491-Y741 AromaticContact CD1-CD2 3.37Å; F491-Y741 HydrophobicContact CD1-CD2 3.37Å; F491-Y741 HydrophobicContact CD1-CE1 4.09Å; F491-Y741 AromaticContact CD1-CE2 3.82Å; F491-Y741 HydrophobicContact CD1-CE2 3.82Å; F491-Y741 AromaticContact CD1-CG 3.3Å; F491-Y741 HydrophobicContact CD1-CG 3.3Å; F491-Y741 AromaticContact CE1-CD1 3.82Å; F491-Y741 HydrophobicContact CE1-CD1 3.82Å; F491-Y741 HydrophobicContact CE1-CD2 4.26Å; F491-Y741 HydrophobicContact CE1-CE1 4.44Å; F491-Y741 AromaticContact CE1-CG 3.72Å; F491-Y741 HydrophobicContact CE1-CG 3.72Å; F491-Y741 AromaticContact CG-CD2 3.69Å; F491-Y741 HydrophobicContact CG-CD2 3.69Å; F491-Y741 HydrophobicContact CG-CE2 4.29Å; F491-Y741 AromaticContact CG-CG 3.92Å; F491-Y741 HydrophobicContact CG-CG 3.92Å; T718-Y741 HydrophobicContact CG2-CD1 4.48Å; V719-Y741 HydrophobicContact CB-CE1 4.46Å; V719-Y741 HydrophobicContact CG2-CE1 3.97Å; V719-Y741 HydrophobicContact CG2-CE2 4.38Å; A722-Y741 HydrophobicContact CB-CD1 4.46Å; A722-Y741 HydrophobicContact CB-CE1 3.75Å; N723-Y741 PolarHBondContact ND2-OH 3.34Å; Q737-Y741 WeakPolarHBondContact O-CB 3.29Å; Q737-Y741 PolarHBondContact O-N 3.26Å; G738-Y741 PolarHBondContact O-N 3.48Å; C739-Y741 PolarHBondContact O-N 2.95Å; Y741-H744 PolarHBondContact O-N 3.17Å; Y741-T745 HydrophobicContact CE1-CG2 4.19Å; Y741-T745 WeakPolarHBondContact CE2-OG1 3.45Å; Y741-T745 WeakPolarHBondContact O-CB 3.42Å; Y741-T745 PolarHBondContact O-N 3.17Å; Y741-T745 PolarHBondContact O-OG1 3.33Å |
| 742 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 179.9 | -73.9 | 170.4 | 0 | 0 | 0 | 112 | T718 A722 I730 Y732 G738 C739 Q740 H744 T745 C746 L753 L755 | T718-L742 HydrophobicContact CG2-CD1 4.07Å; T718-L742 HydrophobicContact CG2-CD2 3.88Å; T718-L742 HydrophobicContact CG2-CG 3.91Å; A722-L742 HydrophobicContact CB-CD2 3.83Å; I730-L742 HydrophobicContact CD1-CD2 3.71Å; I730-L742 HydrophobicContact CG2-CD1 4.02Å; I730-L742 HydrophobicContact CG2-CD2 4.12Å; Y732-L742 HydrophobicContact CD1-CD1 4.04Å; Y732-L742 HydrophobicContact CD2-CD1 3.59Å; Y732-L742 HydrophobicContact CE2-CD1 4.32Å; Y732-L742 HydrophobicContact CG-CD1 3.44Å; Y732-L742 VanDerWaalsContact CG-CD1 3.44Å; G738-L742 WeakPolarHBondContact O-CB 3.27Å; G738-L742 VanDerWaalsContact O-CG 3.29Å; G738-L742 WeakPolarHBondContact O-CG 3.36Å; G738-L742 PolarHBondContact O-N 2.54Å; C739-L742 PolarHBondContact O-N 3.4Å; Q740-L742 PolarHBondContact O-N 3.23Å; L742-H744 VanDerWaalsContact C-N 3.28Å; L742-H744 PolarHBondContact O-N 3.1Å; L742-T745 PolarHBondContact O-N 2.79Å; L742-C746 VanDerWaalsContact O-CB 3.23Å; L742-C746 WeakPolarHBondContact O-CB 3.34Å; L742-C746 PolarHBondContact O-N 3.14Å; L742-C746 PolarHBondContact O-SG 3.04Å; L742-L753 HydrophobicContact CB-CD1 4.27Å; L742-L753 HydrophobicContact CB-CD2 4.42Å; L742-L755 HydrophobicContact CB-CD2 4.18Å; L742-L755 HydrophobicContact CD1-CD2 3.69Å |
| 743 | Q | 93.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 177.2 | -71.1 | 179.9 | -48.5 | 0 | 0 | 112.4 | A257 V261 C739 Q740 L753 L755 | A257-Q743 HydrophobicContact CB-CB 3.92Å; V261-Q743 PolarHBondContact O-NE2 2.73Å; C739-Q743 WeakPolarHBondContact O-CG 3.24Å; C739-Q743 PolarHBondContact O-N 3.4Å; Q740-Q743 PolarHBondContact O-N 3.5Å; Q743-L753 HydrophobicContact CG-CD1 4.4Å; Q743-L755 HydrophobicContact CG-CD1 3.42Å; Q743-L755 VanDerWaalsContact CG-CD1 3.42Å |
| 744 | H | 94.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 24 Ų | 24 | 21% | 0.213 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -74.6 | -45.3 | 178.8 | -178.6 | -91.3 | 0 | 0 | 0 | 112.7 | A257 Y488 Q740 Y741 L742 T747 | A257-H744 HydrophobicContact CB-CB 3.79Å; Y488-H744 HydrophobicContact CD1-CB 3.96Å; Y488-H744 AromaticContact CD1-CG 3.82Å; Y488-H744 AromaticContact CD1-ND1 3.64Å; Y488-H744 AromaticContact CD2-CE1 3.77Å; Y488-H744 AromaticContact CD2-ND1 3.88Å; Y488-H744 HydrophobicContact CE1-CB 3.37Å; Y488-H744 AromaticContact CE1-CG 3.48Å; Y488-H744 VanDerWaalsContact CE1-CG 3.48Å; Y488-H744 AromaticContact CE1-ND1 3.81Å; Y488-H744 AromaticContact CE2-CD2 3.72Å; Y488-H744 AromaticContact CE2-CE1 3.99Å; Y488-H744 AromaticContact CE2-CG 3.87Å; Y488-H744 AromaticContact CE2-NE2 3.84Å; Y488-H744 AromaticContact CG-CE1 3.97Å; Y488-H744 AromaticContact CG-ND1 3.69Å; Y488-H744 AromaticContact CZ-CD2 3.63Å; Y488-H744 AromaticContact CZ-CG 3.51Å; Q740-H744 WeakPolarHBondContact O-CB 3.22Å; Q740-H744 PolarHBondContact O-N 2.72Å; Q740-H744 VanDerWaalsContact O-N 3.1Å; Y741-H744 PolarHBondContact O-N 3.17Å; L742-H744 VanDerWaalsContact C-N 3.28Å; L742-H744 PolarHBondContact O-N 3.1Å; H744-T747 PolarHBondContact O-OG1 3.34Å; H744-T747 VanDerWaalsContact O-OG1 3.12Å |
| 745 | T | 95 | Very high | 92.6 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 17% | 0.172 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -85 | -33.4 | -167.6 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | A722 Y741 L742 T747 | A722-T745 HydrophobicContact CB-CG2 4.28Å; Y741-T745 HydrophobicContact CE1-CG2 4.19Å; Y741-T745 WeakPolarHBondContact CE2-OG1 3.45Å; Y741-T745 WeakPolarHBondContact O-CB 3.42Å; Y741-T745 PolarHBondContact O-N 3.17Å; Y741-T745 PolarHBondContact O-OG1 3.33Å; L742-T745 PolarHBondContact O-N 2.79Å; T745-T747 PolarHBondContact O-N 3.47Å |
| 746 | C | 94.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 42.5 | -176.6 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | L742 L750 K751 L753 | L742-C746 VanDerWaalsContact O-CB 3.23Å; L742-C746 WeakPolarHBondContact O-CB 3.34Å; L742-C746 PolarHBondContact O-N 3.14Å; L742-C746 PolarHBondContact O-SG 3.04Å; C746-L750 WeakPolarHBondContact O-CA 3.15Å; C746-K751 HydrophobicContact CB-CB 4Å; C746-K751 HydrophobicContact CB-CD 4.27Å; C746-K751 HydrophobicContact CB-CG 4.17Å; C746-K751 PolarHBondContact O-N 2.82Å; C746-L753 HydrophobicContact CB-CD1 4.19Å; C746-L753 HydrophobicContact CB-CD2 3.99Å; C746-L753 HydrophobicContact CB-CG 4.4Å |
| 747 | T | 89.1 | Confident | 91.9 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -103.1 | -21.6 | -179.4 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | L250 C253 K254 H744 T745 | L250-T747 WeakPolarHBondContact CD1-O 3.48Å; L250-T747 WeakPolarHBondContact CD2-O 3.45Å; C253-T747 HydrophobicContact CB-CG2 3.45Å; C253-T747 VanDerWaalsContact CB-CG2 3.45Å; K254-T747 WeakPolarHBondContact CE-OG1 3.41Å; K254-T747 HydrophobicContact CG-CG2 4.27Å; H744-T747 PolarHBondContact O-OG1 3.34Å; H744-T747 VanDerWaalsContact O-OG1 3.12Å; T745-T747 PolarHBondContact O-N 3.47Å |
| 748 | S | 84.6 | Confident | 90.9 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 56% | 0.559 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -152.1 | 101.9 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 749 | P | 87.9 | Confident | 89.4 | Confident | 39 Ų | 39 | 31.7 Ų | 31.7 | 25% | 0.253 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -65.9 | 148.2 | -2.7 | 28.8 | -34.1 | 0 | 0 | 0 | 111 | D454 K751 | D454-P749 WeakPolarHBondContact OD1-CA 3.37Å; P749-K751 PolarHBondContact O-N 2.86Å |
| 750 | L | 91.4 | Very high | 87.5 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 132 | 174.5 | -171.8 | 66.6 | 0 | 0 | 0 | 108.9 | L250 V265 D454 T457 C746 | L250-L750 HydrophobicContact CD2-CD1 4.4Å; V265-L750 HydrophobicContact CB-CD2 4.09Å; V265-L750 HydrophobicContact CG1-CD2 3.97Å; D454-L750 PolarHBondContact OD1-N 3Å; T457-L750 HydrophobicContact CG2-CD2 3.9Å; T457-L750 HydrophobicContact CG2-CG 3.82Å; C746-L750 WeakPolarHBondContact O-CA 3.15Å |
| 751 | K | 94.4 | Very high | 85.4 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | trans | -120.5 | 145.4 | 177.3 | -54.3 | -175.7 | 176.9 | 66.3 | 0 | 110.5 | A722 H724 I727 K728 I730 C746 P749 L753 | A722-K751 WeakPolarHBondContact O-CE 3.5Å; A722-K751 PolarHBondContact O-NZ 3.05Å; H724-K751 WeakPolarHBondContact O-CE 3.28Å; H724-K751 PolarHBondContact O-NZ 2.85Å; I727-K751 HydrophobicContact CG2-CD 4.35Å; I727-K751 WeakPolarHBondContact O-CD 3.46Å; I727-K751 WeakPolarHBondContact O-CE 3.39Å; K728-K751 WeakPolarHBondContact O-CA 3.39Å; I730-K751 HydrophobicContact CD1-CD 4.03Å; I730-K751 HydrophobicContact CG1-CD 4.33Å; C746-K751 HydrophobicContact CB-CB 4Å; C746-K751 HydrophobicContact CB-CD 4.27Å; C746-K751 HydrophobicContact CB-CG 4.17Å; C746-K751 PolarHBondContact O-N 2.82Å; P749-K751 PolarHBondContact O-N 2.86Å; K751-L753 HydrophobicContact CB-CD2 4.46Å; K751-L753 PolarHBondContact O-N 2.86Å | ||
| 752 | T | 94.4 | Very high | 82.9 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.6 | 170.6 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | K728 A729 I730 | K728-T752 PolarHBondContact O-N 2.85Å; A729-T752 CarbonylContact C-O 3.5Å; A729-T752 WeakPolarHBondContact CA-O 3.4Å; A729-T752 WeakPolarHBondContact CB-O 3.45Å; I730-T752 PolarHBondContact N-O 3.21Å |
| 753 | L | 94.6 | Very high | 80.4 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127 | -177.2 | -61.2 | -178.7 | 0 | 0 | 0 | 110.6 | I730 L742 Q743 C746 K751 L755 | I730-L753 HydrophobicContact CB-CD2 3.95Å; I730-L753 WeakPolarHBondContact O-CA 3.17Å; L742-L753 HydrophobicContact CB-CD1 4.27Å; L742-L753 HydrophobicContact CB-CD2 4.42Å; Q743-L753 HydrophobicContact CG-CD1 4.4Å; C746-L753 HydrophobicContact CB-CD1 4.19Å; C746-L753 HydrophobicContact CB-CD2 3.99Å; C746-L753 HydrophobicContact CB-CG 4.4Å; K751-L753 HydrophobicContact CB-CD2 4.46Å; K751-L753 PolarHBondContact O-N 2.86Å; L753-L755 HydrophobicContact CB-CD1 4.33Å; L753-L755 HydrophobicContact CB-CD2 4.06Å; L753-L755 HydrophobicContact CB-CG 3.98Å; L753-L755 HydrophobicContact CD1-CD1 4.24Å |
| 754 | R | 93.1 | Very high | 77.8 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 101.6 | 165.8 | -174.3 | 169.2 | -175.8 | -104.4 | 6.7 | 108.2 | I730 W731 Y732 D780 | I730-R754 PolarHBondContact O-N 2.96Å; W731-R754 WeakPolarHBondContact CA-O 3.41Å; W731-R754 HydrophobicContact CG-CB 4.17Å; Y732-R754 PolarHBondContact N-O 3.34Å; R754-D780 IonicContact CZ-OD2 3.28Å; R754-D780 IonicContact NE-OD2 3.85Å; R754-D780 PolarHBondContact NE-OD2 3.17Å; R754-D780 IonicContact NH2-OD2 2.83Å; R754-D780 PolarHBondContact NH2-OD2 3.37Å |
| 755 | L | 91.1 | Very high | 75.5 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.8 | -170.2 | -53.5 | -179.4 | 0 | 0 | 0 | 110.5 | Y732 C739 L742 Q743 L753 | Y732-L755 HydrophobicContact CG-CD2 4.49Å; C739-L755 HydrophobicContact CB-CD1 4.32Å; L742-L755 HydrophobicContact CB-CD2 4.18Å; L742-L755 HydrophobicContact CD1-CD2 3.69Å; Q743-L755 HydrophobicContact CG-CD1 3.42Å; Q743-L755 VanDerWaalsContact CG-CD1 3.42Å; L753-L755 HydrophobicContact CB-CD1 4.33Å; L753-L755 HydrophobicContact CB-CD2 4.06Å; L753-L755 HydrophobicContact CB-CG 3.98Å; L753-L755 HydrophobicContact CD1-CD1 4.24Å |
| 756 | S | 85.9 | Confident | 73.4 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.9 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | Y732 W733 G734 A766 | Y732-S756 PolarHBondContact O-N 3.03Å; W733-S756 VanDerWaalsContact CA-O 3.32Å; W733-S756 WeakPolarHBondContact CA-O 3.48Å; W733-S756 VanDerWaalsContact CD1-OG 3.31Å; G734-S756 PolarHBondContact N-O 2.83Å; S756-A766 WeakPolarHBondContact OG-CB 3.47Å |
| 757 | W | 79.8 | Confident | 71.7 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 147.4 | 177.3 | 78.7 | -85 | 0 | 0 | 0 | 110.8 | P479 P481 G734 Q759 A766 | P479-W757 WeakPolarHBondContact O-CZ2 3.4Å; P479-W757 PolarHBondContact O-NE1 3.39Å; P481-W757 HydrophobicContact CG-CG 4.39Å; G734-W757 CarbonylContact O-C 3.53Å; G734-W757 VanDerWaalsContact O-CA 3.25Å; G734-W757 WeakPolarHBondContact O-CA 3.42Å; W757-Q759 HydrophobicContact CZ3-CB 4.04Å; W757-A766 WeakPolarHBondContact O-CB 3.39Å |
| 758 | Q | 71.5 | Confident | 70.7 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -130.6 | 143.4 | 175.8 | -63.1 | -177.7 | -11.3 | 0 | 0 | 108.1 | P656 G734 | P656-Q758 VanDerWaalsContact CB-NE2 3.33Å; G734-Q758 PolarHBondContact O-N 3.18Å | ||
| 759 | Q | 61.9 | Low | 70.4 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | trans | -84 | 128.9 | 172.5 | -166.3 | 167.5 | -12.9 | 0 | 0 | 108.4 | W757 G761 | W757-Q759 HydrophobicContact CZ3-CB 4.04Å; Q759-G761 PolarHBondContact O-N 3.49Å | ||
| 760 | D | 54.7 | Low | 70.2 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 131.1 | -179.8 | -64.6 | -46.1 | 0 | 0 | 0 | 109.6 | R714 | R714-D760 IonicContact CZ-OD1 3.22Å; R714-D760 IonicContact NH1-OD1 3.93Å; R714-D760 PolarHBondContact NH1-OD1 2.83Å; R714-D760 IonicContact NH2-OD1 2.63Å; R714-D760 PolarHBondContact NH2-OD1 3.44Å; R714-D760 IonicContact NH2-OD2 3.6Å |
| 761 | G | 49.2 | Very low | 69.8 | Low | 55 Ų | 55 | 55.9 Ų | 55.9 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -27.2 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q759 | Q759-G761 PolarHBondContact O-N 3.49Š|
| 762 | E | 43.7 | Very low | 69 | Low | 121 Ų | 121 | 60.3 Ų | 60.3 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | trans | -106.1 | 118 | 174 | -68.1 | -172 | 177 | 0 | 0 | 109.7 | R764 | E762-R764 PolarHBondContact O-N 3.34Š| ||
| 763 | G | 42.4 | Very low | 67.7 | Low | 79 Ų | 79 | 62.9 Ų | 62.9 | 81% | 0.814 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -61.1 | 10.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 764 | R | 39.3 | Very low | 67.1 | Low | 223 Ų | 223 | 63 Ų | 63 | 84% | 0.842 | 35% | 0.354 | S | S | * | . | trans | -100.2 | 60.3 | 173.8 | -69.4 | -174.1 | -179.8 | -158.1 | 1 | 110.4 | E762 | E762-R764 PolarHBondContact O-N 3.34Š| ||
| 765 | G | 47.3 | Very low | 66.8 | Low | 25 Ų | 25 | 66.1 Ų | 66.1 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -94.7 | 176.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A767 | G765-A767 PolarHBondContact O-N 3.07Š|
| 766 | A | 50.6 | Low | 66.7 | Low | 25 Ų | 25 | 64.1 Ų | 64.1 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -55.6 | 3.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | L478 S756 W757 | L478-A766 VanDerWaalsContact CD1-CA 3.47Å; L478-A766 HydrophobicContact CD1-CB 3.13Å; L478-A766 HydrophobicContact CD2-CB 4.43Å; L478-A766 HydrophobicContact CG-CB 4.36Å; S756-A766 WeakPolarHBondContact OG-CB 3.47Å; W757-A766 WeakPolarHBondContact O-CB 3.39Å |
| 767 | A | 59.4 | Low | 66.8 | Low | 22 Ų | 22 | 63.3 Ų | 63.3 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | trans | -74.2 | 138.9 | -171 | 0 | 0 | 0 | 0 | 0 | 110.7 | N658 G765 | N658-A767 WeakPolarHBondContact ND2-CB 3.26Å; N658-A767 WeakPolarHBondContact OD1-CB 3.46Å; G765-A767 PolarHBondContact O-N 3.07Å | ||
| 768 | P | 67.8 | Low | 67.3 | Low | 20 Ų | 20 | 60.6 Ų | 60.6 | 13% | 0.13 | 35% | 0.354 | C | S | . | . | trans | -59.9 | 155 | 171.9 | 27.9 | -34.2 | 0 | 0 | 0 | 110 | F474 W770 L777 | F474-P768 HydrophobicContact CE2-CB 3.92Å; P768-W770 VanDerWaalsContact C-N 3.29Å; P768-W770 HydrophobicContact CG-CD2 3.9Å; P768-W770 HydrophobicContact CG-CE3 3.94Å; P768-W770 HydrophobicContact CG-CH2 3.82Å; P768-W770 HydrophobicContact CG-CZ2 3.77Å; P768-W770 HydrophobicContact CG-CZ3 3.91Å; P768-W770 PolarHBondContact O-N 3.32Å; P768-L777 HydrophobicContact CB-CD1 4.38Å; P768-L777 HydrophobicContact CB-CD2 3.89Å; P768-L777 HydrophobicContact CG-CD1 4.15Å; P768-L777 HydrophobicContact CG-CD2 3.96Å | ||
| 769 | D | 77.6 | Confident | 68.2 | Low | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | trans | -64.7 | 95.7 | 162.1 | -179 | 1.5 | 0 | 0 | 0 | 108.2 | A771 Q772 | D769-A771 PolarHBondContact O-N 2.81Å; D769-A771 VanDerWaalsContact O-N 3.17Å; D769-A771 WeakPolarHBondContact OD1-CB 3.49Å; D769-A771 PolarHBondContact OD1-N 3.01Å; D769-A771 VanDerWaalsContact OD1-N 3.1Å; D769-Q772 PolarHBondContact O-N 3.23Å; D769-Q772 VanDerWaalsContact O-N 3.11Å; D769-Q772 WeakPolarHBondContact OD2-CG 3.26Å; D769-Q772 PolarHBondContact OD2-NE2 3.13Å | ||
| 770 | W | 84.4 | Confident | 69.7 | Low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.8 | -177.2 | -61.5 | 110.5 | 0 | 0 | 0 | 112.6 | R617 P656 N658 A659 L662 S663 T666 V667 W733 P768 Q772 | R617-W770 PolarHBondContact NH2-O 3.07Å; P656-W770 HydrophobicContact CG-CZ2 3.86Å; N658-W770 VanDerWaalsContact CG-NE1 3.35Å; N658-W770 PolarHBondContact ND2-NE1 3.18Å; N658-W770 VanDerWaalsContact ND2-NE1 3.16Å; N658-W770 PolarHBondContact OD1-NE1 2.72Å; A659-W770 HydrophobicContact CB-CB 4.27Å; A659-W770 HydrophobicContact CB-CG 4.46Å; L662-W770 HydrophobicContact CD2-CB 3.87Å; L662-W770 WeakPolarHBondContact CD2-O 3.38Å; L662-W770 HydrophobicContact CG-CB 4Å; S663-W770 VanDerWaalsContact CB-CE2 3.47Å; T666-W770 HydrophobicContact CG2-CE3 3.99Å; T666-W770 HydrophobicContact CG2-CZ3 3.81Å; V667-W770 HydrophobicContact CG1-CH2 4.05Å; V667-W770 HydrophobicContact CG1-CZ3 4.26Å; W733-W770 AromaticContact CZ2-CH2 3.89Å; W733-W770 HydrophobicContact CZ2-CH2 3.89Å; W733-W770 HydrophobicContact CZ2-CZ2 4.33Å; P768-W770 VanDerWaalsContact C-N 3.29Å; P768-W770 HydrophobicContact CG-CD2 3.9Å; P768-W770 HydrophobicContact CG-CE3 3.94Å; P768-W770 HydrophobicContact CG-CH2 3.82Å; P768-W770 HydrophobicContact CG-CZ2 3.77Å; P768-W770 HydrophobicContact CG-CZ3 3.91Å; P768-W770 PolarHBondContact O-N 3.32Å; W770-Q772 VanDerWaalsContact C-N 3.31Å |
| 771 | A | 82.8 | Confident | 71.5 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 21% | 0.207 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L613 D769 P773 | L613-A771 HydrophobicContact CD1-CB 3.83Å; D769-A771 PolarHBondContact O-N 2.81Å; D769-A771 VanDerWaalsContact O-N 3.17Å; D769-A771 WeakPolarHBondContact OD1-CB 3.49Å; D769-A771 PolarHBondContact OD1-N 3.01Å; D769-A771 VanDerWaalsContact OD1-N 3.1Å; A771-P773 WeakPolarHBondContact O-CD 3.32Å |
| 772 | Q | 77.6 | Confident | 73.6 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -95.9 | 113.8 | 176.7 | -70.5 | -173.8 | 47.2 | 0 | 0 | 111.1 | D769 W770 H774 | D769-Q772 PolarHBondContact O-N 3.23Å; D769-Q772 VanDerWaalsContact O-N 3.11Å; D769-Q772 WeakPolarHBondContact OD2-CG 3.26Å; D769-Q772 PolarHBondContact OD2-NE2 3.13Å; W770-Q772 VanDerWaalsContact C-N 3.31Å; Q772-H774 VanDerWaalsContact C-N 3.3Å; Q772-H774 PolarHBondContact O-N 2.86Å |
| 773 | P | 67.9 | Low | 76 | Confident | 86 Ų | 86 | 47 Ų | 47 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | trans | -75.6 | 80.1 | 177.9 | 32.5 | -35.3 | 0 | 0 | 0 | 110.5 | R617 A771 P775 | R617-P773 VanDerWaalsContact NH1-CB 3.27Å; A771-P773 WeakPolarHBondContact O-CD 3.32Å; P773-P775 WeakPolarHBondContact O-CD 3.26Å | ||
| 774 | H | 81.4 | Confident | 78.4 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | trans | -70 | 124.9 | 171.3 | -69.4 | -59.1 | 0 | 0 | 0 | 110.4 | F474 Q772 S776 L777 M778 | F474-H774 HydrophobicContact CD1-CB 3.52Å; F474-H774 AromaticContact CD1-CD2 3.79Å; F474-H774 AromaticContact CD1-CG 3.66Å; F474-H774 AromaticContact CD2-CD2 3.92Å; F474-H774 HydrophobicContact CE1-CB 3.84Å; F474-H774 HydrophobicContact CG-CB 4.16Å; F474-H774 AromaticContact CG-CD2 3.48Å; F474-H774 VanDerWaalsContact CG-CD2 3.48Å; F474-H774 WeakPolarHBondContact CG-CD2 3.36Å; F474-H774 AromaticContact CG-CG 3.8Å; Q772-H774 VanDerWaalsContact C-N 3.3Å; Q772-H774 PolarHBondContact O-N 2.86Å; H774-S776 VanDerWaalsContact C-N 3.27Å; H774-S776 PolarHBondContact O-N 3.08Å; H774-L777 HydrophobicContact CB-CB 4.13Å; H774-L777 WeakPolarHBondContact O-CB 3.25Å; H774-L777 PolarHBondContact O-N 2.91Å; H774-M778 PolarHBondContact O-N 3.47Å | ||
| 775 | P | 87.1 | Confident | 81.1 | Confident | 103 Ų | 103 | 34.6 Ų | 34.6 | 67% | 0.669 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -55.7 | -39.8 | 179 | -28.1 | 35.9 | 0 | 0 | 0 | 113.3 | P773 L777 M778 E779 | P773-P775 WeakPolarHBondContact O-CD 3.26Å; P775-L777 VanDerWaalsContact C-N 3.31Å; P775-L777 PolarHBondContact O-N 2.85Å; P775-M778 PolarHBondContact O-N 2.69Å; P775-E779 PolarHBondContact O-N 3.16Å |
| 776 | S | 87.8 | Confident | 83.3 | Confident | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.6 | -21.7 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | G154 H774 D780 | G154-S776 VanDerWaalsContact O-CB 3.3Å; G154-S776 WeakPolarHBondContact O-CB 3.49Å; G154-S776 PolarHBondContact O-OG 2.89Å; G154-S776 VanDerWaalsContact O-OG 3.1Å; H774-S776 VanDerWaalsContact C-N 3.27Å; H774-S776 PolarHBondContact O-N 3.08Å; S776-D780 WeakPolarHBondContact O-CB 3.24Å; S776-D780 PolarHBondContact O-N 2.95Å |
| 777 | L | 87.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.4 | -43.1 | 170.7 | 178.1 | 60.9 | 0 | 0 | 0 | 110.4 | F474 P768 H774 P775 E779 D780 L781 | F474-L777 HydrophobicContact CE1-CB 3.54Å; F474-L777 HydrophobicContact CZ-CB 3.55Å; F474-L777 HydrophobicContact CZ-CD1 3.78Å; F474-L777 HydrophobicContact CZ-CD2 4.49Å; F474-L777 HydrophobicContact CZ-CG 4.1Å; P768-L777 HydrophobicContact CB-CD1 4.38Å; P768-L777 HydrophobicContact CB-CD2 3.89Å; P768-L777 HydrophobicContact CG-CD1 4.15Å; P768-L777 HydrophobicContact CG-CD2 3.96Å; H774-L777 HydrophobicContact CB-CB 4.13Å; H774-L777 WeakPolarHBondContact O-CB 3.25Å; H774-L777 PolarHBondContact O-N 2.91Å; P775-L777 VanDerWaalsContact C-N 3.31Å; P775-L777 PolarHBondContact O-N 2.85Å; L777-E779 VanDerWaalsContact C-N 3.35Å; L777-D780 PolarHBondContact O-N 2.9Å; L777-L781 HydrophobicContact CD1-CD1 4.25Å; L777-L781 HydrophobicContact CD1-CG 4.35Å; L777-L781 HydrophobicContact CG-CD1 4.16Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 WeakPolarHBondContact O-CG 3.44Å; L777-L781 PolarHBondContact O-N 2.82Å |
| 778 | M | 90.3 | Very high | 87 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.044 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.9 | -59.7 | -62.4 | 98 | 0 | 0 | 110.2 | R617 W621 T666 H774 P775 L781 W782 | R617-M778 PolarHBondContact NH1-SD 2.92Å; W621-M778 HydrophobicContact CH2-CB 4.43Å; W621-M778 WeakPolarHBondContact CH2-O 3.49Å; W621-M778 HydrophobicContact CZ2-SD 3.86Å; T666-M778 HydrophobicContact CG2-CE 3.86Å; H774-M778 PolarHBondContact O-N 3.47Å; P775-M778 PolarHBondContact O-N 2.69Å; M778-L781 HydrophobicContact CE-CD1 4.03Å; M778-L781 PolarHBondContact O-N 3.05Å; M778-W782 WeakPolarHBondContact O-CB 3.35Å; M778-W782 PolarHBondContact O-N 3.4Å |
| 779 | E | 92.1 | Very high | 88.3 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 175 | -172.6 | -178.6 | -173.9 | 0 | 0 | 111.8 | W155 Y467 P775 L777 L781 W782 R783 | W155-E779 HydrophobicContact CZ2-CB 4.14Å; W155-E779 HydrophobicContact CZ2-CG 4.08Å; W155-E779 PolarHBondContact NE1-OE2 3.36Å; Y467-E779 VanDerWaalsContact CE1-OE1 3.23Å; Y467-E779 WeakPolarHBondContact CE1-OE1 3.42Å; Y467-E779 PolarHBondContact OH-OE1 3.27Å; P775-E779 PolarHBondContact O-N 3.16Å; L777-E779 VanDerWaalsContact C-N 3.35Å; E779-L781 PolarHBondContact O-N 3.1Å; E779-W782 PolarHBondContact O-N 3.41Å; E779-R783 HydrophobicContact CG-CG 4.35Å; E779-R783 WeakPolarHBondContact O-CB 3.49Å; E779-R783 VanDerWaalsContact O-CG 3.3Å; E779-R783 WeakPolarHBondContact O-CG 3.24Å; E779-R783 PolarHBondContact O-N 3.35Å; E779-R783 IonicContact OE1-CZ 3.73Å; E779-R783 IonicContact OE1-NE 2.74Å; E779-R783 PolarHBondContact OE1-NE 3.03Å; E779-R783 IonicContact OE1-NH2 3.75Å; E779-R783 PolarHBondContact OE1-NH2 2.78Å |
| 780 | D | 91.9 | Very high | 89.1 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 16% | 0.16 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 175.8 | -179.9 | 60.2 | 0 | 0 | 0 | 111.7 | W155 P472 R754 S776 L777 W782 R783 N784 | W155-D780 HydrophobicContact CH2-CB 3.71Å; W155-D780 HydrophobicContact CZ2-CB 4.23Å; P472-D780 HydrophobicContact CG-CB 3.93Å; R754-D780 IonicContact CZ-OD2 3.28Å; R754-D780 IonicContact NE-OD2 3.85Å; R754-D780 PolarHBondContact NE-OD2 3.17Å; R754-D780 IonicContact NH2-OD2 2.83Å; R754-D780 PolarHBondContact NH2-OD2 3.37Å; S776-D780 WeakPolarHBondContact O-CB 3.24Å; S776-D780 PolarHBondContact O-N 2.95Å; L777-D780 PolarHBondContact O-N 2.9Å; D780-W782 VanDerWaalsContact C-N 3.33Å; D780-W782 PolarHBondContact O-N 2.92Å; D780-R783 PolarHBondContact O-N 3.17Å; D780-N784 WeakPolarHBondContact O-CB 3.16Å; D780-N784 PolarHBondContact O-N 3.04Å; D780-N784 PolarHBondContact O-ND2 3.48Å; D780-N784 PolarHBondContact OD1-ND2 2.87Å |
| 781 | L | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 177.4 | -76.9 | 169.3 | 0 | 0 | 0 | 112.4 | W621 T666 V667 A670 W731 L777 M778 E779 N784 A785 | W621-L781 HydrophobicContact CH2-CB 4.04Å; W621-L781 HydrophobicContact CZ2-CB 4.06Å; W621-L781 HydrophobicContact CZ2-CD1 4.18Å; T666-L781 HydrophobicContact CG2-CD1 3.61Å; V667-L781 HydrophobicContact CG1-CD2 4.19Å; A670-L781 HydrophobicContact CB-CB 3.88Å; W731-L781 HydrophobicContact CZ3-CD2 4.23Å; L777-L781 HydrophobicContact CD1-CD1 4.25Å; L777-L781 HydrophobicContact CD1-CG 4.35Å; L777-L781 HydrophobicContact CG-CD1 4.16Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 WeakPolarHBondContact O-CG 3.44Å; L777-L781 PolarHBondContact O-N 2.82Å; M778-L781 HydrophobicContact CE-CD1 4.03Å; M778-L781 PolarHBondContact O-N 3.05Å; E779-L781 PolarHBondContact O-N 3.1Å; L781-N784 PolarHBondContact O-N 3.31Å; L781-A785 WeakPolarHBondContact O-CB 3.25Å; L781-A785 PolarHBondContact O-N 2.8Å |
| 782 | W | 94.6 | Very high | 90.2 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 177.2 | 178.8 | 88.5 | 0 | 0 | 0 | 111.3 | W621 Y624 V628 P645 T674 M778 E779 D780 N784 A785 V786 W788 | W621-W782 HydrophobicContact CH2-CB 4.2Å; W621-W782 HydrophobicContact CZ3-CB 4.12Å; Y624-W782 HydrophobicContact CD1-CB 4.49Å; Y624-W782 AromaticContact CD1-CD1 3.69Å; Y624-W782 HydrophobicContact CD1-CG 4.14Å; Y624-W782 HydrophobicContact CE1-CB 4Å; Y624-W782 AromaticContact CE1-CD1 3.83Å; Y624-W782 HydrophobicContact CE1-CD2 4.47Å; Y624-W782 AromaticContact CE1-CG 3.82Å; Y624-W782 HydrophobicContact CE1-CG 3.82Å; V628-W782 HydrophobicContact CB-CZ2 3.94Å; V628-W782 HydrophobicContact CG1-CD2 4.03Å; V628-W782 HydrophobicContact CG1-CE3 4.11Å; V628-W782 HydrophobicContact CG1-CH2 3.45Å; V628-W782 VanDerWaalsContact CG1-CH2 3.45Å; V628-W782 HydrophobicContact CG1-CZ2 3.29Å; V628-W782 HydrophobicContact CG1-CZ3 3.85Å; P645-W782 HydrophobicContact CB-CH2 3.93Å; P645-W782 HydrophobicContact CB-CZ2 3.96Å; P645-W782 HydrophobicContact CG-CH2 3.96Å; P645-W782 HydrophobicContact CG-CZ2 3.79Å; T674-W782 VanDerWaalsContact CG2-CD1 3.44Å; T674-W782 HydrophobicContact CG2-CG 4.28Å; M778-W782 WeakPolarHBondContact O-CB 3.35Å; M778-W782 PolarHBondContact O-N 3.4Å; E779-W782 PolarHBondContact O-N 3.41Å; D780-W782 VanDerWaalsContact C-N 3.33Å; D780-W782 PolarHBondContact O-N 2.92Å; W782-N784 VanDerWaalsContact C-N 3.31Å; W782-N784 PolarHBondContact O-N 2.97Å; W782-A785 WeakPolarHBondContact O-CB 3.47Å; W782-A785 PolarHBondContact O-N 3.23Å; W782-V786 HydrophobicContact CH2-CG2 4.24Å; W782-V786 HydrophobicContact CZ2-CG2 4.48Å; W782-V786 HydrophobicContact CZ3-CG2 4.26Å; W782-W788 HydrophobicContact CH2-CH2 4.15Å; W782-W788 AromaticContact CH2-CZ2 3.84Å; W782-W788 HydrophobicContact CH2-CZ2 3.84Å; W782-W788 AromaticContact CZ3-CZ2 3.99Å; W782-W788 HydrophobicContact CZ3-CZ2 3.99Å |
| 783 | R | 93.1 | Very high | 90.9 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 178.5 | -72.9 | -177.6 | 179.1 | -74.9 | -7.1 | 112 | Y467 E779 D780 A785 V786 | Y467-R783 PolarHBondContact OH-NH2 3.32Å; Y467-R783 VanDerWaalsContact OH-NH2 3.14Å; E779-R783 HydrophobicContact CG-CG 4.35Å; E779-R783 WeakPolarHBondContact O-CB 3.49Å; E779-R783 VanDerWaalsContact O-CG 3.3Å; E779-R783 WeakPolarHBondContact O-CG 3.24Å; E779-R783 PolarHBondContact O-N 3.35Å; E779-R783 IonicContact OE1-CZ 3.73Å; E779-R783 IonicContact OE1-NE 2.74Å; E779-R783 PolarHBondContact OE1-NE 3.03Å; E779-R783 IonicContact OE1-NH2 3.75Å; E779-R783 PolarHBondContact OE1-NH2 2.78Å; D780-R783 PolarHBondContact O-N 3.17Å; R783-A785 PolarHBondContact O-N 3.34Å; R783-V786 PolarHBondContact O-N 3.33Å; R783-V786 VanDerWaalsContact O-O 3.13Å |
| 784 | N | 92.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 23% | 0.225 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -4.7 | 176.3 | -77.4 | -84.4 | 0 | 0 | 0 | 113.8 | L648 W731 D780 L781 W782 | L648-N784 VanDerWaalsContact CD1-O 3.27Å; L648-N784 WeakPolarHBondContact CD1-O 3.09Å; W731-N784 HydrophobicContact CZ2-CB 4.37Å; W731-N784 WeakPolarHBondContact CZ2-O 3.17Å; W731-N784 PolarHBondContact NE1-O 3.41Å; D780-N784 WeakPolarHBondContact O-CB 3.16Å; D780-N784 PolarHBondContact O-N 3.04Å; D780-N784 PolarHBondContact O-ND2 3.48Å; D780-N784 PolarHBondContact OD1-ND2 2.87Å; L781-N784 PolarHBondContact O-N 3.31Å; W782-N784 VanDerWaalsContact C-N 3.31Å; W782-N784 PolarHBondContact O-N 2.97Å |
| 785 | A | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -1.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T674 N676 W731 L781 W782 R783 | T674-A785 HydrophobicContact CG2-CB 4.1Å; T674-A785 WeakPolarHBondContact OG1-CB 3.29Å; N676-A785 PolarHBondContact ND2-O 3.31Å; W731-A785 HydrophobicContact CH2-CB 3.94Å; W731-A785 HydrophobicContact CZ2-CB 3.82Å; L781-A785 WeakPolarHBondContact O-CB 3.25Å; L781-A785 PolarHBondContact O-N 2.8Å; W782-A785 WeakPolarHBondContact O-CB 3.47Å; W782-A785 PolarHBondContact O-N 3.23Å; R783-A785 PolarHBondContact O-N 3.34Å |
| 786 | V | 94.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.3 | -178.8 | -59 | 0 | 0 | 0 | 0 | 111.1 | P645 E646 T674 W782 R783 | P645-V786 HydrophobicContact CB-CB 3.84Å; P645-V786 HydrophobicContact CB-CG1 4.01Å; P645-V786 HydrophobicContact CB-CG2 3.84Å; E646-V786 CarbonylContact O-C 3.52Å; E646-V786 WeakPolarHBondContact O-CA 3.49Å; E646-V786 WeakPolarHBondContact O-CB 3.27Å; T674-V786 HydrophobicContact CG2-CG1 3.61Å; W782-V786 HydrophobicContact CH2-CG2 4.24Å; W782-V786 HydrophobicContact CZ2-CG2 4.48Å; W782-V786 HydrophobicContact CZ3-CG2 4.26Å; R783-V786 PolarHBondContact O-N 3.33Å; R783-V786 VanDerWaalsContact O-O 3.13Å |
| 787 | Q | 93.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150 | 165.3 | 60.9 | -167.4 | 1.5 | 0 | 0 | 108.4 | H452 E646 L648 | H452-Q787 PolarHBondContact CD2-NE2 3.19Å; H452-Q787 PolarHBondContact NE2-NE2 3.29Å; E646-Q787 HydrophobicContact CB-CG 4.26Å; E646-Q787 PolarHBondContact N-O 3.39Å; E646-Q787 PolarHBondContact O-N 3.09Å; L648-Q787 HydrophobicContact CD2-CB 3.94Å; L648-Q787 HydrophobicContact CD2-CG 4.27Å |
| 788 | W | 93.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131 | -176.3 | -71 | 91.3 | 0 | 0 | 0 | 111.4 | S450 H452 T459 E464 P645 W782 | S450-W788 VanDerWaalsContact CB-O 3.22Å; S450-W788 WeakPolarHBondContact CB-O 3.38Å; H452-W788 PolarHBondContact CE1-O 3.16Å; T459-W788 HydrophobicContact CG2-CB 4.29Å; T459-W788 HydrophobicContact CG2-CG 4.37Å; E464-W788 HydrophobicContact CB-CD2 4.19Å; E464-W788 HydrophobicContact CB-CG 4.23Å; E464-W788 HydrophobicContact CB-CZ2 4.44Å; E464-W788 HydrophobicContact CG-CD2 3.53Å; E464-W788 HydrophobicContact CG-CE3 3.92Å; E464-W788 HydrophobicContact CG-CG 4.09Å; E464-W788 HydrophobicContact CG-CH2 3.78Å; E464-W788 HydrophobicContact CG-CZ2 3.41Å; E464-W788 VanDerWaalsContact CG-CZ2 3.41Å; E464-W788 HydrophobicContact CG-CZ3 4.02Å; P645-W788 HydrophobicContact CB-CH2 4.37Å; P645-W788 HydrophobicContact CB-CZ2 4.44Å; P645-W788 HydrophobicContact CB-CZ3 4.42Å; P645-W788 HydrophobicContact CG-CH2 4.44Å; P645-W788 HydrophobicContact CG-CZ3 4.48Å; W782-W788 HydrophobicContact CH2-CH2 4.15Å; W782-W788 AromaticContact CH2-CZ2 3.84Å; W782-W788 HydrophobicContact CH2-CZ2 3.84Å; W782-W788 AromaticContact CZ3-CZ2 3.99Å; W782-W788 HydrophobicContact CZ3-CZ2 3.99Å |
| 789 | K | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.7 | 166.2 | -179.8 | -179.8 | -68.4 | 165.2 | 0 | 109.4 | A427 K428 L430 V432 G433 V435 S643 F644 E646 V791 | A427-K789 PolarHBondContact O-NZ 3.48Å; A427-K789 VanDerWaalsContact O-NZ 3.13Å; K428-K789 PolarHBondContact O-NZ 3.03Å; K428-K789 VanDerWaalsContact O-NZ 3.08Å; L430-K789 VanDerWaalsContact O-CE 3.23Å; L430-K789 WeakPolarHBondContact O-CE 3.41Å; L430-K789 PolarHBondContact O-NZ 2.9Å; V432-K789 WeakPolarHBondContact O-CE 3.35Å; G433-K789 CarbonylContact O-C 3.6Å; G433-K789 WeakPolarHBondContact O-CA 3.28Å; V435-K789 HydrophobicContact CG2-CD 4.48Å; S643-K789 CarbonylContact C-O 3.55Å; S643-K789 WeakPolarHBondContact CA-O 3.3Å; S643-K789 PolarHBondContact OG-O 2.96Å; F644-K789 HydrophobicContact CD2-CB 4.34Å; F644-K789 HydrophobicContact CE2-CB 3.99Å; F644-K789 HydrophobicContact CE2-CD 3.76Å; F644-K789 HydrophobicContact CE2-CG 4.17Å; F644-K789 HydrophobicContact CZ-CB 4.35Å; F644-K789 HydrophobicContact CZ-CD 3.7Å; F644-K789 HydrophobicContact CZ-CG 4.1Å; F644-K789 PolarHBondContact N-O 3.45Å; F644-K789 PolarHBondContact O-N 3.46Å; E646-K789 VanDerWaalsContact CD-CE 3.41Å; E646-K789 HydrophobicContact CG-CB 4.14Å; E646-K789 VanDerWaalsContact OE1-CE 3.29Å; E646-K789 WeakPolarHBondContact OE1-CE 3.47Å; E646-K789 IonicContact OE1-NZ 3.63Å; E646-K789 PolarHBondContact OE1-NZ 2.77Å; E646-K789 WeakPolarHBondContact OE2-CE 3.45Å; E646-K789 IonicContact OE2-NZ 3.44Å; E646-K789 PolarHBondContact OE2-NZ 2.76Å; K789-V791 HydrophobicContact CG-CG2 4.5Å |
| 790 | S | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.7 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | G433 S434 V435 F447 P448 L642 S643 | G433-S790 PolarHBondContact O-N 2.98Å; S434-S790 CarbonylContact C-O 3.52Å; S434-S790 WeakPolarHBondContact CA-O 3.39Å; V435-S790 PolarHBondContact N-O 2.99Å; F447-S790 VanDerWaalsContact CE2-CB 3.46Å; P448-S790 WeakPolarHBondContact CD-OG 3.42Å; P448-S790 WeakPolarHBondContact CG-OG 3.4Å; P448-S790 WeakPolarHBondContact O-CB 3.47Å; P448-S790 PolarHBondContact O-OG 2.86Å; L642-S790 CarbonylContact O-C 3.5Å; L642-S790 VanDerWaalsContact O-CA 3.26Å; L642-S790 WeakPolarHBondContact O-CA 3.2Å; S643-S790 PolarHBondContact OG-OG 3.38Å; S643-S790 VanDerWaalsContact OG-OG 3.12Å |
| 791 | V | 95.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.8 | 179.7 | -174.6 | 0 | 0 | 0 | 0 | 108 | A427 V435 V437 A641 L642 F644 K789 I793 | A427-V791 HydrophobicContact CB-CG1 4.08Å; A427-V791 HydrophobicContact CB-CG2 4Å; V435-V791 HydrophobicContact CB-CG1 4.31Å; V435-V791 HydrophobicContact CB-CG2 4.2Å; V435-V791 HydrophobicContact CG1-CG1 4.49Å; V435-V791 CarbonylContact O-C 3.54Å; V435-V791 VanDerWaalsContact O-CA 3.31Å; V435-V791 WeakPolarHBondContact O-CA 3.45Å; V437-V791 HydrophobicContact CG2-CG1 4.19Å; A641-V791 CarbonylContact C-O 3.57Å; A641-V791 WeakPolarHBondContact CA-O 3.45Å; L642-V791 PolarHBondContact N-O 3.22Å; L642-V791 PolarHBondContact O-N 3.43Å; F644-V791 HydrophobicContact CE1-CG2 3.69Å; F644-V791 HydrophobicContact CZ-CG2 3.87Å; K789-V791 HydrophobicContact CG-CG2 4.5Å; V791-I793 HydrophobicContact CG1-CD1 4.35Å; V791-I793 HydrophobicContact CG1-CG1 4Å |
| 792 | W | 94.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 8% | 0.076 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.7 | 172.1 | -176.3 | 92.9 | 0 | 0 | 0 | 109.8 | V435 V437 S439 V442 F447 S638 A640 P794 | V435-W792 PolarHBondContact O-N 2.93Å; V437-W792 PolarHBondContact N-O 2.91Å; S439-W792 WeakPolarHBondContact OG-CZ3 3.47Å; V442-W792 HydrophobicContact CB-CD2 4.46Å; V442-W792 HydrophobicContact CB-CG 4.37Å; V442-W792 HydrophobicContact CG1-CG 4.33Å; V442-W792 HydrophobicContact CG2-CD2 4.05Å; V442-W792 HydrophobicContact CG2-CE3 4.35Å; V442-W792 HydrophobicContact CG2-CG 4.47Å; V442-W792 HydrophobicContact CG2-CZ2 4.23Å; F447-W792 HydrophobicContact CE2-CB 4.08Å; F447-W792 HydrophobicContact CZ-CB 4.2Å; S638-W792 VanDerWaalsContact O-CZ2 3.26Å; S638-W792 WeakPolarHBondContact O-CZ2 3.34Å; A640-W792 WeakPolarHBondContact O-CA 3.48Å; W792-P794 HydrophobicContact CH2-CB 3.92Å; W792-P794 HydrophobicContact CZ3-CB 3.97Å; W792-P794 HydrophobicContact CZ3-CG 4.31Å |
| 793 | I | 92.7 | Very high | 91.1 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.2 | -176.5 | -50.9 | 173.3 | 0 | 0 | 0 | 108.1 | L420 L424 V437 G639 A640 L642 V791 T795 | L420-I793 HydrophobicContact CD1-CD1 4.37Å; L420-I793 HydrophobicContact CD1-CG2 4.08Å; L424-I793 HydrophobicContact CD2-CD1 3.55Å; V437-I793 HydrophobicContact CB-CG1 4.48Å; V437-I793 HydrophobicContact CG2-CG1 4.21Å; G639-I793 CarbonylContact C-O 3.6Å; G639-I793 VanDerWaalsContact CA-O 3.29Å; G639-I793 WeakPolarHBondContact CA-O 3.17Å; A640-I793 PolarHBondContact N-O 3.22Å; A640-I793 PolarHBondContact O-N 2.81Å; L642-I793 HydrophobicContact CD1-CD1 4.06Å; V791-I793 HydrophobicContact CG1-CD1 4.35Å; V791-I793 HydrophobicContact CG1-CG1 4Å; I793-T795 PolarHBondContact O-N 3.42Å |
| 794 | P | 89.3 | Confident | 91 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | trans | -67.4 | 132.5 | 175 | 28.9 | -34.6 | 0 | 0 | 0 | 109.5 | V437 N438 W792 | V437-P794 VanDerWaalsContact O-CD 3.24Å; V437-P794 WeakPolarHBondContact O-CD 3.27Å; N438-P794 HydrophobicContact CB-CG 4.26Å; W792-P794 HydrophobicContact CH2-CB 3.92Å; W792-P794 HydrophobicContact CZ3-CB 3.97Å; W792-P794 HydrophobicContact CZ3-CG 4.31Å | ||
| 795 | T | 83.5 | Confident | 90.8 | Very high | 67 Ų | 67 | 33 Ų | 33 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | trans | -141 | 141.7 | 173.2 | 62.7 | 0 | 0 | 0 | 0 | 107.3 | G639 A640 I793 | G639-T795 VanDerWaalsContact CA-OG1 3.25Å; G639-T795 WeakPolarHBondContact CA-OG1 3.28Å; G639-T795 PolarHBondContact N-O 2.82Å; A640-T795 HydrophobicContact CB-CG2 3.78Å; A640-T795 PolarHBondContact N-OG1 3.48Å; I793-T795 PolarHBondContact O-N 3.42Å | ||
| 796 | A | 67.8 | Low | 90.4 | Very high | 164 Ų | 164 | 36 Ų | 36 | 100% | 1.355 | 24% | 0.241 | S | C | * | . | trans | -64 | 0 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 796 of 796 residues in 688.9 ms
(Link to these results)