| 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 | 51.2 | Low | 51.2 | Low | 237 Ų | 237 | 142.9 Ų | 142.9 | 100% | 1.167 | 67% | 0.667 | S | S | * | * | 0 | 14.1 | 0 | -89.1 | -173.9 | -86 | 0 | 0 | 113.6 | |||||
| 2 | E | 51.8 | Low | 51.1 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 73% | 0.729 | 66% | 0.658 | S | S | * | * | trans | -99.1 | -7.2 | 176.6 | -74.6 | -176.8 | 129.9 | 0 | 0 | 114.5 | N4 | E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.32Å | ||
| 3 | W | 41.5 | Very low | 51 | Low | 195 Ų | 195 | 145.2 Ų | 145.2 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -17.8 | -173.1 | -153.2 | 78 | 0 | 0 | 0 | 113.9 | ||
| 4 | N | 54.8 | Low | 51 | Low | 120 Ų | 120 | 146.6 Ų | 146.6 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -22.6 | -179.3 | -77.1 | -27.9 | 0 | 0 | 0 | 114.3 | E2 M8 | E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.32Å; N4-M8 PolarHBondContact O-N 3.12Å |
| 5 | L | 49.4 | Very low | 51.2 | Low | 121 Ų | 121 | 143.6 Ų | 143.6 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.9 | -40.2 | -179 | -93 | 133.3 | 0 | 0 | 0 | 112.4 | R7 M8 D9 | L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.93Å; L5-M8 PolarHBondContact O-N 2.64Å; L5-D9 PolarHBondContact O-N 3.1Å |
| 6 | R | 55.3 | Low | 51.2 | Low | 203 Ų | 203 | 140.8 Ų | 140.8 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.9 | -27.7 | 178.7 | -64.8 | -170.6 | -174.5 | -151.9 | 2.5 | 113.3 | S10 | R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.13Å; R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 VanDerWaalsContact O-N 3.12Å |
| 7 | R | 53.3 | Low | 51.3 | Low | 142 Ų | 142 | 137.9 Ų | 137.9 | 54% | 0.536 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72.6 | -40.3 | 176.7 | -164.6 | 172.7 | -176.5 | 149.4 | 0.5 | 111.3 | L5 S10 E11 | L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.93Å; R7-S10 WeakPolarHBondContact O-CB 3.34Å; R7-S10 PolarHBondContact O-N 2.93Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3Å |
| 8 | M | 48.6 | Very low | 51.2 | Low | 118 Ų | 118 | 135.5 Ų | 135.5 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.3 | -37.4 | 176.4 | -141.2 | 155.6 | 62.8 | 0 | 0 | 112.1 | N4 L5 S10 E11 L12 | N4-M8 PolarHBondContact O-N 3.12Å; L5-M8 PolarHBondContact O-N 2.64Å; M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.26Å; M8-E11 PolarHBondContact O-N 3.26Å; M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.29Å |
| 9 | D | 52.4 | Low | 51.1 | Low | 93 Ų | 93 | 135.7 Ų | 135.7 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.6 | -28.9 | 175.3 | -122.2 | 30.4 | 0 | 0 | 0 | 112.9 | L5 R13 | L5-D9 PolarHBondContact O-N 3.1Å; D9-R13 VanDerWaalsContact O-CG 3.29Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.94Å |
| 10 | S | 52.2 | Low | 51.1 | Low | 72 Ų | 72 | 137 Ų | 137 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.5 | -39.6 | 172.3 | 176 | 0 | 0 | 0 | 0 | 112.1 | R6 R7 M8 R13 | R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.13Å; R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 VanDerWaalsContact O-N 3.12Å; R7-S10 WeakPolarHBondContact O-CB 3.34Å; R7-S10 PolarHBondContact O-N 2.93Å; M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.26Å; S10-R13 PolarHBondContact O-N 3.3Å |
| 11 | E | 52.6 | Low | 51.2 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.9 | -33.2 | 178.4 | -75 | 174.6 | -176.4 | 0 | 0 | 112.2 | R7 M8 R13 Q14 | R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3Å; M8-E11 PolarHBondContact O-N 3.26Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.84Å; E11-Q14 PolarHBondContact O-N 2.85Å |
| 12 | L | 49.9 | Very low | 50.8 | Low | 107 Ų | 107 | 128.9 Ų | 128.9 | 56% | 0.56 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.4 | -25.8 | 174.4 | -71.8 | 172.1 | 0 | 0 | 0 | 113.4 | M8 Q14 I15 | M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.29Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-I15 HydrophobicContact CD2-CD1 3.88Å |
| 13 | R | 49.7 | Very low | 50.5 | Low | 209 Ų | 209 | 126.7 Ų | 126.7 | 79% | 0.789 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -7.3 | 174.9 | -72.3 | 176.7 | -172.2 | -128.3 | 3 | 113.8 | D9 S10 E11 | D9-R13 VanDerWaalsContact O-CG 3.29Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.94Å; S10-R13 PolarHBondContact O-N 3.3Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.84Å |
| 14 | Q | 50.8 | Low | 50.7 | Low | 164 Ų | 164 | 124.9 Ų | 124.9 | 77% | 0.766 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 9.7 | 174.4 | -94.4 | -174.8 | -16 | 0 | 0 | 113.5 | E11 L12 N16 | E11-Q14 PolarHBondContact O-N 2.85Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; Q14-N16 PolarHBondContact O-N 3.47Å; Q14-N16 VanDerWaalsContact O-N 3.15Å |
| 15 | I | 54.9 | Low | 50.4 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 52% | 0.523 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -69.7 | 114.3 | 169.8 | -62.6 | 175.6 | 0 | 0 | 0 | 108 | L12 S17 L19 | L12-I15 HydrophobicContact CD2-CD1 3.88Å; I15-S17 PolarHBondContact O-N 3.43Å; I15-L19 HydrophobicContact CG2-CD1 3.93Å |
| 16 | N | 51.3 | Low | 50 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | trans | -46.6 | 126 | -175.6 | -142.8 | 17.3 | 0 | 0 | 0 | 111.6 | Q14 D18 L19 | Q14-N16 PolarHBondContact O-N 3.47Å; Q14-N16 VanDerWaalsContact O-N 3.15Å; N16-D18 HydrophobicContact CB-CB 4.46Å; N16-D18 PolarHBondContact ND2-OD2 2.89Å; N16-D18 PolarHBondContact O-N 2.54Å; N16-L19 PolarHBondContact O-N 2.89Å; N16-L19 VanDerWaalsContact O-N 3.09Å | ||
| 17 | S | 51.7 | Low | 49.6 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -62.7 | -7 | 175.7 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | I15 L19 | I15-S17 PolarHBondContact O-N 3.43Å; S17-L19 VanDerWaalsContact C-N 3.32Å |
| 18 | D | 50.9 | Low | 49.1 | Very low | 95 Ų | 95 | 127 Ų | 127 | 51% | 0.508 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -71.5 | -21.3 | 174 | -65.6 | -29.7 | 0 | 0 | 0 | 113.7 | N16 L20 | N16-D18 HydrophobicContact CB-CB 4.46Å; N16-D18 PolarHBondContact ND2-OD2 2.89Å; N16-D18 PolarHBondContact O-N 2.54Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.48Å |
| 19 | L | 48.7 | Very low | 48.7 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -79 | -10.6 | 179 | -72.8 | 167.8 | 0 | 0 | 0 | 113.7 | I15 N16 S17 | I15-L19 HydrophobicContact CG2-CD1 3.93Å; N16-L19 PolarHBondContact O-N 2.89Å; N16-L19 VanDerWaalsContact O-N 3.09Å; S17-L19 VanDerWaalsContact C-N 3.32Å |
| 20 | L | 51.3 | Low | 48.8 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 84% | 0.843 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -107.9 | 4.8 | 178.4 | -83.5 | 154.8 | 0 | 0 | 0 | 113.3 | D18 | D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.48Å |
| 21 | Q | 52.2 | Low | 49.2 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 39% | 0.393 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -71.8 | 131.1 | 168 | -65.7 | -168.4 | 12.3 | 0 | 0 | 108.6 | S23 K24 | Q21-S23 PolarHBondContact O-N 2.81Å; Q21-K24 VanDerWaalsContact OE1-CE 3.27Å |
| 22 | P | 43.8 | Very low | 50.8 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | trans | -52.4 | 125.4 | 169.1 | 22 | -30.2 | 0 | 0 | 0 | 106.5 | K24 | P22-K24 PolarHBondContact O-N 3.13Š| ||
| 23 | S | 46 | Very low | 52.7 | Low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | -38.3 | 103.7 | -173.2 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | Q21 S25 | Q21-S23 PolarHBondContact O-N 2.81Å; S23-S25 PolarHBondContact O-N 2.88Å | ||
| 24 | K | 43.8 | Very low | 54.7 | Low | 158 Ų | 158 | 112.6 Ų | 112.6 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | trans | -54.5 | 113.3 | 168.2 | -83.1 | 173.6 | 176.2 | 153 | 0 | 103.6 | Q21 P22 I26 | Q21-K24 VanDerWaalsContact OE1-CE 3.27Å; P22-K24 PolarHBondContact O-N 3.13Å; K24-I26 PolarHBondContact O-N 3.31Å | ||
| 25 | S | 48.6 | Very low | 56.9 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 74% | 0.741 | 61% | 0.606 | S | S | * | * | trans | -44.2 | 110.9 | 176.9 | -37.7 | 0 | 0 | 0 | 0 | 105.5 | S23 K27 | S23-S25 PolarHBondContact O-N 2.88Å; S25-K27 PolarHBondContact O-N 3.15Å | ||
| 26 | I | 41.7 | Very low | 58.8 | Low | 150 Ų | 150 | 102.3 Ų | 102.3 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | trans | -58.1 | 99.8 | 164.2 | -67.2 | 170.1 | 0 | 0 | 0 | 101.7 | K24 K28 | K24-I26 PolarHBondContact O-N 3.31Å; I26-K28 PolarHBondContact O-N 3.03Å | ||
| 27 | K | 46.3 | Very low | 61 | Low | 197 Ų | 197 | 98.5 Ų | 98.5 | 86% | 0.857 | 56% | 0.561 | S | S | * | * | trans | -61.6 | 89.3 | 163.2 | -78.3 | -171 | 178.8 | -178.4 | 0 | 102.8 | S25 | S25-K27 PolarHBondContact O-N 3.15Š| ||
| 28 | K | 43.3 | Very low | 63.1 | Low | 176 Ų | 176 | 94.1 Ų | 94.1 | 77% | 0.765 | 53% | 0.53 | S | S | * | . | trans | -49.1 | 127.6 | 172.8 | -108.7 | 179.1 | 176.6 | 176.3 | 0 | 104.5 | I26 S30 | I26-K28 PolarHBondContact O-N 3.03Å; K28-S30 PolarHBondContact O-N 3.45Å; K28-S30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | P | 40.6 | Very low | 65.3 | Low | 115 Ų | 115 | 91.2 Ų | 91.2 | 75% | 0.747 | 52% | 0.523 | S | S | * | . | trans | -50.6 | 129.4 | 169.3 | 23.2 | -31.3 | 0 | 0 | 0 | 105.7 | S31 | P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.36Å | ||
| 30 | S | 55.2 | Low | 67.5 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 77% | 0.769 | 51% | 0.514 | S | S | * | . | trans | -48.8 | 96.1 | -178.1 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | K28 G32 | K28-S30 PolarHBondContact O-N 3.45Å; K28-S30 VanDerWaalsContact O-N 3.12Å; S30-G32 PolarHBondContact O-N 2.9Å | ||
| 31 | S | 60.4 | Low | 69.7 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | trans | -61.2 | 117.9 | 177.2 | 58.1 | 0 | 0 | 0 | 0 | 104.3 | P29 T33 R47 | P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.36Å; S31-T33 PolarHBondContact O-N 3.47Å; S31-T33 PolarHBondContact OG-O 2.93Å; S31-R47 PolarHBondContact O-NE 3.23Å | ||
| 32 | G | 85.3 | Confident | 71.8 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -57.3 | -10.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S30 H46 R47 | S30-G32 PolarHBondContact O-N 2.9Å; G32-H46 CarbonylContact O-C 3.54Å; G32-H46 WeakPolarHBondContact O-CA 3.34Å; G32-R47 PolarHBondContact O-N 2.84Å |
| 33 | T | 90.8 | Very high | 74.4 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.8 | 175.6 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | S31 A44 A45 | S31-T33 PolarHBondContact O-N 3.47Å; S31-T33 PolarHBondContact OG-O 2.93Å; T33-A44 HydrophobicContact CG2-CB 4.27Å; T33-A45 CarbonylContact C-O 3.55Å; T33-A45 VanDerWaalsContact CA-O 3.25Å; T33-A45 WeakPolarHBondContact CA-O 3.41Å; T33-A45 VanDerWaalsContact CG2-O 3.27Å; T33-A45 WeakPolarHBondContact CG2-O 3.32Å |
| 34 | I | 91.9 | Very high | 76.8 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 9% | 0.092 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.4 | 171.4 | -177.2 | 171.8 | 0 | 0 | 0 | 108.4 | L36 A45 R47 L50 P77 | I34-L36 HydrophobicContact CD1-CD2 4.19Å; I34-L36 HydrophobicContact CG1-CD2 4.31Å; I34-A45 PolarHBondContact N-O 2.93Å; I34-A45 PolarHBondContact O-N 2.75Å; I34-R47 HydrophobicContact CB-CG 4.36Å; I34-R47 HydrophobicContact CG2-CG 4.14Å; I34-L50 HydrophobicContact CG2-CD1 3.38Å; I34-L50 HydrophobicContact CG2-CG 4.49Å; I34-P77 HydrophobicContact CD1-CG 4.34Å |
| 35 | T | 95.4 | Very high | 79.3 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 30% | 0.301 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.5 | 172.9 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | L42 Y43 N76 P77 | T35-L42 HydrophobicContact CG2-CD2 4.38Å; T35-Y43 CarbonylContact C-O 3.53Å; T35-Y43 VanDerWaalsContact CA-O 3.31Å; T35-Y43 WeakPolarHBondContact CA-O 3.39Å; T35-N76 WeakPolarHBondContact CB-OD1 3.29Å; T35-N76 HydrophobicContact CG2-CB 4.45Å; T35-P77 WeakPolarHBondContact O-CD 3.47Å |
| 36 | L | 95.4 | Very high | 81.5 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.7 | 176.1 | -57.6 | 175.6 | 0 | 0 | 0 | 109 | I34 V38 L42 Y43 L50 L58 P77 I79 F86 | I34-L36 HydrophobicContact CD1-CD2 4.19Å; I34-L36 HydrophobicContact CG1-CD2 4.31Å; L36-V38 HydrophobicContact CB-CG2 4.29Å; L36-L42 CarbonylContact O-C 3.56Å; L36-L42 WeakPolarHBondContact O-CA 3.4Å; L36-Y43 PolarHBondContact N-O 2.8Å; L36-Y43 PolarHBondContact O-N 2.84Å; L36-L50 HydrophobicContact CD1-CD1 3.89Å; L36-L50 HydrophobicContact CD1-CD2 4.29Å; L36-L50 HydrophobicContact CG-CD1 4.46Å; L36-L58 HydrophobicContact CD1-CD2 4.14Å; L36-P77 HydrophobicContact CD2-CB 4Å; L36-P77 HydrophobicContact CD2-CG 4.25Å; L36-I79 HydrophobicContact CD1-CD1 4.32Å; L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CZ 4.03Å |
| 37 | N | 96.7 | Very high | 83.9 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.9 | 168.9 | -173.3 | -28.3 | 0 | 0 | 0 | 108.8 | G40 F41 L42 D72 N76 P77 F78 I79 | N37-G40 WeakPolarHBondContact OD1-CA 3.33Å; N37-G40 PolarHBondContact OD1-N 2.89Å; N37-F41 WeakPolarHBondContact CA-O 3.22Å; N37-L42 HydrophobicContact CB-CD2 3.71Å; N37-D72 HydrophobicContact CB-CB 4.33Å; N37-D72 WeakPolarHBondContact CB-OD2 3.34Å; N37-D72 WeakPolarHBondContact ND2-CB 3.36Å; N37-D72 PolarHBondContact ND2-OD2 3.4Å; N37-N76 HydrophobicContact CB-CB 4.48Å; N37-P77 PolarHBondContact N-O 2.83Å; N37-F78 HydrophobicContact CB-CD2 4.02Å; N37-F78 CarbonylContact O-C 3.57Å; N37-F78 VanDerWaalsContact O-CA 3.31Å; N37-F78 WeakPolarHBondContact O-CA 3.2Å; N37-I79 PolarHBondContact O-N 2.79Å |
| 38 | V | 97.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 103.6 | -177.2 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | L36 G40 F41 Y43 I79 R81 G83 F86 | L36-V38 HydrophobicContact CB-CG2 4.29Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-G40 VanDerWaalsContact O-N 3.13Å; V38-F41 PolarHBondContact N-O 2.83Å; V38-F41 WeakPolarHBondContact O-CB 3.32Å; V38-F41 PolarHBondContact O-N 2.87Å; V38-Y43 HydrophobicContact CB-CD2 4.28Å; V38-Y43 HydrophobicContact CB-CE2 4.41Å; V38-Y43 HydrophobicContact CG2-CD2 4.09Å; V38-I79 CarbonylContact C-O 3.53Å; V38-I79 WeakPolarHBondContact CA-O 3.06Å; V38-I79 HydrophobicContact CG1-CB 4.46Å; V38-I79 HydrophobicContact CG1-CG2 4.46Å; V38-I79 HydrophobicContact CG2-CB 4.34Å; V38-I79 HydrophobicContact CG2-CD1 4.22Å; V38-R81 HydrophobicContact CG1-CB 4.08Å; V38-G83 VanDerWaalsContact O-CA 3.28Å; V38-G83 WeakPolarHBondContact O-CA 3.47Å; V38-F86 HydrophobicContact CB-CB 4.47Å; V38-F86 HydrophobicContact CB-CG 4.35Å; V38-F86 HydrophobicContact CG1-CB 4.04Å; V38-F86 HydrophobicContact CG1-CD2 4.24Å; V38-F86 HydrophobicContact CG1-CG 4.12Å; V38-F86 HydrophobicContact CG2-CD1 3.91Å; V38-F86 HydrophobicContact CG2-CD2 4.19Å; V38-F86 HydrophobicContact CG2-CE1 4.05Å; V38-F86 HydrophobicContact CG2-CE2 4.33Å; V38-F86 HydrophobicContact CG2-CG 3.97Å; V38-F86 HydrophobicContact CG2-CZ 4.26Å |
| 39 | G | 95.8 | Very high | 88.7 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I79 R81 | G39-I79 PolarHBondContact N-O 2.87Å; G39-R81 VanDerWaalsContact CA-O 3.24Å; G39-R81 WeakPolarHBondContact CA-O 3.3Å; G39-R81 PolarHBondContact N-O 2.63Å |
| 40 | G | 95.3 | Very high | 91.3 | Very high | 53 Ų | 53 | 51 Ų | 51 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N37 V38 | N37-G40 WeakPolarHBondContact OD1-CA 3.33Å; N37-G40 PolarHBondContact OD1-N 2.89Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-G40 VanDerWaalsContact O-N 3.13Å |
| 41 | F | 97.8 | Very high | 93.1 | Very high | 101 Ų | 101 | 47.7 Ų | 47.7 | 44% | 0.443 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.6 | 179.7 | -67 | -103 | 0 | 0 | 0 | 110.9 | N37 V38 Y43 P84 | N37-F41 WeakPolarHBondContact CA-O 3.22Å; V38-F41 PolarHBondContact N-O 2.83Å; V38-F41 WeakPolarHBondContact O-CB 3.32Å; V38-F41 PolarHBondContact O-N 2.87Å; F41-Y43 HydrophobicContact CB-CD2 4.25Å; F41-Y43 HydrophobicContact CB-CE2 3.63Å; F41-Y43 WeakPolarHBondContact O-CD2 3.36Å; F41-P84 HydrophobicContact CE1-CG 4.12Å; F41-P84 HydrophobicContact CE2-CG 4.01Å; F41-P84 HydrophobicContact CZ-CG 3.7Å |
| 42 | L | 97.2 | Very high | 94.5 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 179.6 | -63.9 | 179.1 | 0 | 0 | 0 | 111.5 | T35 L36 N37 | T35-L42 HydrophobicContact CG2-CD2 4.38Å; L36-L42 CarbonylContact O-C 3.56Å; L36-L42 WeakPolarHBondContact O-CA 3.4Å; N37-L42 HydrophobicContact CB-CD2 3.71Å |
| 43 | Y | 97.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.2 | 176.9 | -72.9 | -82.3 | 0 | 0 | 0 | 110.7 | T35 L36 V38 F41 G83 F86 R87 L90 | T35-Y43 CarbonylContact C-O 3.53Å; T35-Y43 VanDerWaalsContact CA-O 3.31Å; T35-Y43 WeakPolarHBondContact CA-O 3.39Å; L36-Y43 PolarHBondContact N-O 2.8Å; L36-Y43 PolarHBondContact O-N 2.84Å; V38-Y43 HydrophobicContact CB-CD2 4.28Å; V38-Y43 HydrophobicContact CB-CE2 4.41Å; V38-Y43 HydrophobicContact CG2-CD2 4.09Å; F41-Y43 HydrophobicContact CB-CD2 4.25Å; F41-Y43 HydrophobicContact CB-CE2 3.63Å; F41-Y43 WeakPolarHBondContact O-CD2 3.36Å; Y43-G83 WeakPolarHBondContact CE2-O 3.43Å; Y43-G83 PolarHBondContact OH-O 2.73Å; Y43-F86 HydrophobicContact CD1-CD1 4.05Å; Y43-F86 HydrophobicContact CD1-CE1 4.45Å; Y43-F86 AromaticContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CD1 3.48Å; Y43-F86 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CE1 4.05Å; Y43-F86 HydrophobicContact CD2-CG 4.41Å; Y43-F86 HydrophobicContact CE1-CD1 4.24Å; Y43-F86 HydrophobicContact CE2-CB 4.04Å; Y43-F86 AromaticContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CG 4.28Å; Y43-F86 AromaticContact CG-CD1 3.67Å; Y43-F86 HydrophobicContact CG-CD1 3.67Å; Y43-F86 AromaticContact CG-CE1 3.93Å; Y43-F86 HydrophobicContact CG-CE1 3.93Å; Y43-R87 HydrophobicContact CE1-CB 4.21Å; Y43-R87 PolarHBondContact OH-N 3.4Å; Y43-L90 HydrophobicContact CD1-CD2 3.86Å; Y43-L90 HydrophobicContact CG-CD2 4.42Å |
| 44 | A | 96 | Very high | 94.8 | Very high | 57 Ų | 57 | 57 Ų | 57 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T33 R94 | T33-A44 HydrophobicContact CG2-CB 4.27Å; A44-R94 PolarHBondContact O-NH2 3.42Å |
| 45 | A | 95.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T33 I34 L50 L90 | T33-A45 CarbonylContact C-O 3.55Å; T33-A45 VanDerWaalsContact CA-O 3.25Å; T33-A45 WeakPolarHBondContact CA-O 3.41Å; T33-A45 VanDerWaalsContact CG2-O 3.27Å; T33-A45 WeakPolarHBondContact CG2-O 3.32Å; I34-A45 PolarHBondContact N-O 2.93Å; I34-A45 PolarHBondContact O-N 2.75Å; A45-L50 HydrophobicContact CB-CD1 4.5Å; A45-L50 HydrophobicContact CB-CD2 4.08Å; A45-L50 HydrophobicContact CB-CG 4.14Å; A45-L90 HydrophobicContact CB-CD1 3.74Å; A45-L90 HydrophobicContact CB-CD2 4.37Å |
| 46 | H | 95.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.6 | 169.5 | -67.7 | -70.3 | 0 | 0 | 0 | 110.6 | G32 T48 T49 L50 | G32-H46 CarbonylContact O-C 3.54Å; G32-H46 WeakPolarHBondContact O-CA 3.34Å; H46-T48 WeakPolarHBondContact CB-OG1 3.5Å; H46-T48 PolarHBondContact O-N 2.89Å; H46-T49 VanDerWaalsContact O-CB 3.3Å; H46-T49 WeakPolarHBondContact O-CB 3.4Å; H46-T49 PolarHBondContact O-N 2.93Å; H46-L50 PolarHBondContact O-N 3.33Å |
| 47 | R | 92.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 56 Ų | 56 | 33% | 0.328 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 173.5 | -67.6 | -177.7 | -179.8 | -88.9 | -3.5 | 111 | S31 G32 I34 T49 L50 S51 A62 | S31-R47 PolarHBondContact O-NE 3.23Å; G32-R47 PolarHBondContact O-N 2.84Å; I34-R47 HydrophobicContact CB-CG 4.36Å; I34-R47 HydrophobicContact CG2-CG 4.14Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 2.85Å; R47-L50 PolarHBondContact O-N 3.28Å; R47-S51 WeakPolarHBondContact O-CB 3.46Å; R47-S51 PolarHBondContact O-N 2.93Å; R47-S51 PolarHBondContact O-OG 3.5Å; R47-S51 VanDerWaalsContact O-OG 3.13Å; R47-A62 HydrophobicContact CB-CB 4.38Å; R47-A62 PolarHBondContact NH1-O 3.09Å |
| 48 | T | 94.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -34.4 | 175.2 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | H46 R52 | H46-T48 WeakPolarHBondContact CB-OG1 3.5Å; H46-T48 PolarHBondContact O-N 2.89Å; T48-R52 PolarHBondContact O-N 3.45Å |
| 49 | T | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -49.2 | 174.1 | -56 | 0 | 0 | 0 | 0 | 110.8 | H46 R47 S51 R52 L90 L93 R94 | H46-T49 VanDerWaalsContact O-CB 3.3Å; H46-T49 WeakPolarHBondContact O-CB 3.4Å; H46-T49 PolarHBondContact O-N 2.93Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 2.85Å; T49-S51 VanDerWaalsContact C-N 3.29Å; T49-S51 PolarHBondContact O-N 3.24Å; T49-R52 VanDerWaalsContact O-CB 3.32Å; T49-R52 WeakPolarHBondContact O-CB 3.43Å; T49-R52 PolarHBondContact O-N 2.65Å; T49-L90 HydrophobicContact CG2-CD1 4.16Å; T49-L93 HydrophobicContact CG2-CB 3.84Å; T49-R94 HydrophobicContact CG2-CG 3.64Å |
| 50 | L | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.7 | -30 | -179.1 | -62 | -175.8 | 0 | 0 | 0 | 112.9 | I34 L36 A45 H46 R47 R52 L58 E59 A62 L90 L93 | I34-L50 HydrophobicContact CG2-CD1 3.38Å; I34-L50 HydrophobicContact CG2-CG 4.49Å; L36-L50 HydrophobicContact CD1-CD1 3.89Å; L36-L50 HydrophobicContact CD1-CD2 4.29Å; L36-L50 HydrophobicContact CG-CD1 4.46Å; A45-L50 HydrophobicContact CB-CD1 4.5Å; A45-L50 HydrophobicContact CB-CD2 4.08Å; A45-L50 HydrophobicContact CB-CG 4.14Å; H46-L50 PolarHBondContact O-N 3.33Å; R47-L50 PolarHBondContact O-N 3.28Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 3.23Å; L50-L58 HydrophobicContact CB-CB 4.29Å; L50-L58 HydrophobicContact CD2-CB 4.33Å; L50-L58 HydrophobicContact CD2-CD1 4.48Å; L50-L58 CarbonylContact O-C 3.51Å; L50-E59 PolarHBondContact O-N 2.97Å; L50-A62 HydrophobicContact CB-CB 3.67Å; L50-A62 HydrophobicContact CD1-CB 4.19Å; L50-L90 HydrophobicContact CD2-CD1 4Å; L50-L93 HydrophobicContact CD2-CD1 4.28Å |
| 51 | S | 93.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4.6 | 177.2 | -63.4 | 0 | 0 | 0 | 0 | 114.4 | R47 T49 H53 | R47-S51 WeakPolarHBondContact O-CB 3.46Å; R47-S51 PolarHBondContact O-N 2.93Å; R47-S51 PolarHBondContact O-OG 3.5Å; R47-S51 VanDerWaalsContact O-OG 3.13Å; T49-S51 VanDerWaalsContact C-N 3.29Å; T49-S51 PolarHBondContact O-N 3.24Å; S51-H53 PolarHBondContact O-N 3.39Å |
| 52 | R | 91.4 | Very high | 93.2 | Very high | 135 Ų | 135 | 50.2 Ų | 50.2 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.4 | -177.7 | -174 | 175 | -79.6 | -170.2 | 1 | 112.7 | T48 T49 L50 L93 R94 | T48-R52 PolarHBondContact O-N 3.45Å; T49-R52 VanDerWaalsContact O-CB 3.32Å; T49-R52 WeakPolarHBondContact O-CB 3.43Å; T49-R52 PolarHBondContact O-N 2.65Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 3.23Å; R52-L93 VanDerWaalsContact CD-O 3.26Å; R52-L93 WeakPolarHBondContact CD-O 3.43Å; R52-L93 PolarHBondContact NE-O 3.12Å; R52-L93 VanDerWaalsContact NE-O 3.16Å; R52-L93 PolarHBondContact NH1-O 3.39Å; R52-R94 VanDerWaalsContact CZ-O 3.32Å; R52-R94 VanDerWaalsContact NH1-C 3.3Å; R52-R94 PolarHBondContact NH1-O 3.23Å; R52-R94 PolarHBondContact NH2-O 2.89Å; R52-R94 VanDerWaalsContact NH2-O 3.08Å |
| 53 | H | 91.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -110.2 | 110 | 178.2 | -159.2 | 82.7 | 0 | 0 | 0 | 110.6 | S51 S56 E59 L93 R118 L119 | S51-H53 PolarHBondContact O-N 3.39Å; H53-S56 VanDerWaalsContact O-CB 3.29Å; H53-S56 WeakPolarHBondContact O-CB 3.38Å; H53-S56 PolarHBondContact O-N 3.4Å; H53-S56 PolarHBondContact O-OG 2.91Å; H53-E59 WeakPolarHBondContact O-CB 3.42Å; H53-L93 HydrophobicContact CB-CD2 4.5Å; H53-R118 PolarHBondContact CD2-O 2.87Å; H53-R118 VanDerWaalsContact CD2-O 3.32Å; H53-L119 HydrophobicContact CB-CD2 3.65Å |
| 54 | Q | 90.7 | Very high | 91.6 | Very high | 176 Ų | 176 | 49.1 Ų | 49.1 | 82% | 0.822 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 139.4 | -178.4 | -65.1 | -171.9 | 16.7 | 0 | 0 | 111.1 | S56 | Q54-S56 PolarHBondContact O-N 3.32Š|
| 55 | G | 88.3 | Confident | 90.5 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R118 | G55-R118 PolarHBondContact O-NE 2.87Å; G55-R118 PolarHBondContact O-NH1 3.04Å; G55-R118 PolarHBondContact O-NH2 2.91Å; G55-R118 VanDerWaalsContact O-NH2 3.16Å |
| 56 | S | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -70 | 154.1 | 169.8 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | H53 Q54 L58 E59 E60 Y117 | H53-S56 VanDerWaalsContact O-CB 3.29Å; H53-S56 WeakPolarHBondContact O-CB 3.38Å; H53-S56 PolarHBondContact O-N 3.4Å; H53-S56 PolarHBondContact O-OG 2.91Å; Q54-S56 PolarHBondContact O-N 3.32Å; S56-L58 PolarHBondContact O-N 3.38Å; S56-E59 PolarHBondContact O-N 3.21Å; S56-E59 WeakPolarHBondContact OG-CB 3.44Å; S56-E59 PolarHBondContact OG-N 3.26Å; S56-E60 WeakPolarHBondContact O-CG 3.37Å; S56-E60 PolarHBondContact O-N 2.73Å; S56-Y117 WeakPolarHBondContact CA-O 3.42Å; S56-Y117 WeakPolarHBondContact CB-O 3.14Å | ||
| 57 | V | 93.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.4 | -34.2 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L61 K66 F116 Y117 | V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.9Å; V57-L61 VanDerWaalsContact O-N 3.15Å; V57-K66 HydrophobicContact CG1-CD 4.19Å; V57-F116 WeakPolarHBondContact CG2-O 3.37Å; V57-Y117 HydrophobicContact CB-CD1 4.19Å; V57-Y117 HydrophobicContact CG1-CD1 4.35Å; V57-Y117 PolarHBondContact N-O 3.08Å |
| 58 | L | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.1 | -34.9 | -177.6 | -62.3 | 173 | 0 | 0 | 0 | 112.3 | L36 L50 S56 L61 A62 I79 F86 I89 L93 Y117 | L36-L58 HydrophobicContact CD1-CD2 4.14Å; L50-L58 HydrophobicContact CB-CB 4.29Å; L50-L58 HydrophobicContact CD2-CB 4.33Å; L50-L58 HydrophobicContact CD2-CD1 4.48Å; L50-L58 CarbonylContact O-C 3.51Å; S56-L58 PolarHBondContact O-N 3.38Å; L58-L61 HydrophobicContact CD2-CD1 4.41Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.25Å; L58-A62 PolarHBondContact O-N 3.02Å; L58-I79 HydrophobicContact CD2-CD1 4.32Å; L58-F86 HydrophobicContact CD1-CE2 4.03Å; L58-F86 HydrophobicContact CD1-CZ 4.23Å; L58-F86 HydrophobicContact CD2-CE2 3.97Å; L58-F86 HydrophobicContact CD2-CZ 4.01Å; L58-I89 HydrophobicContact CD1-CG2 4.05Å; L58-L93 HydrophobicContact CD1-CD1 3.5Å; L58-Y117 HydrophobicContact CD1-CD1 4.04Å; L58-Y117 HydrophobicContact CD1-CG 4.28Å; L58-Y117 HydrophobicContact CD2-CD1 3.81Å; L58-Y117 HydrophobicContact CD2-CE1 3.82Å; L58-Y117 HydrophobicContact CG-CD1 3.71Å; L58-Y117 HydrophobicContact CG-CE1 4.25Å; L58-Y117 HydrophobicContact CG-CG 4.36Å |
| 59 | E | 93.5 | Very high | 86.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 172.4 | -177.5 | -87.2 | 156.4 | 0 | 0 | 111.5 | L50 H53 S56 L61 A62 S63 K65 | L50-E59 PolarHBondContact O-N 2.97Å; H53-E59 WeakPolarHBondContact O-CB 3.42Å; S56-E59 PolarHBondContact O-N 3.21Å; S56-E59 WeakPolarHBondContact OG-CB 3.44Å; S56-E59 PolarHBondContact OG-N 3.26Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.89Å; E59-A62 PolarHBondContact O-N 3.02Å; E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 3.21Å; E59-S63 PolarHBondContact O-OG 3.46Å; E59-K65 IonicContact OE1-NZ 2.64Å; E59-K65 PolarHBondContact OE1-NZ 2.76Å; E59-K65 IonicContact OE2-NZ 2.63Å |
| 60 | E | 90.9 | Very high | 85.6 | Confident | 44 Ų | 44 | 63 Ų | 63 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 179.4 | -60 | 170.3 | 172.4 | 0 | 0 | 111.7 | S56 S63 G64 K65 K66 R118 | S56-E60 WeakPolarHBondContact O-CG 3.37Å; S56-E60 PolarHBondContact O-N 2.73Å; E60-S63 WeakPolarHBondContact CA-OG 3.39Å; E60-S63 PolarHBondContact O-OG 2.99Å; E60-G64 CarbonylContact O-C 3.6Å; E60-G64 PolarHBondContact O-N 2.89Å; E60-G64 VanDerWaalsContact O-N 3.08Å; E60-K65 HydrophobicContact CB-CB 4.38Å; E60-K65 PolarHBondContact O-N 3.01Å; E60-K66 HydrophobicContact CB-CB 3.55Å; E60-K66 HydrophobicContact CB-CD 4.44Å; E60-K66 PolarHBondContact O-N 3.2Å; E60-R118 IonicContact OE1-CZ 2.71Å; E60-R118 IonicContact OE1-NH1 3.57Å; E60-R118 IonicContact OE1-NH2 3.06Å; E60-R118 PolarHBondContact OE1-NH2 3.42Å; E60-R118 IonicContact OE2-NH2 3.02Å; E60-R118 PolarHBondContact OE2-NH2 2.92Å |
| 61 | L | 89 | Confident | 85.4 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 173.5 | -73 | 170.7 | 0 | 0 | 0 | 111.8 | V57 L58 E59 G64 K66 V68 I79 | V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.9Å; V57-L61 VanDerWaalsContact O-N 3.15Å; L58-L61 HydrophobicContact CD2-CD1 4.41Å; L58-L61 PolarHBondContact O-N 2.94Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.27Å; L61-K66 HydrophobicContact CD2-CB 4.31Å; L61-K66 HydrophobicContact CD2-CD 4.15Å; L61-K66 HydrophobicContact CD2-CG 4.27Å; L61-K66 HydrophobicContact CG-CD 4.21Å; L61-V68 HydrophobicContact CD2-CG2 3.84Å; L61-I79 HydrophobicContact CD1-CD1 3.74Å; L61-I79 HydrophobicContact CD1-CG1 4.24Å |
| 62 | A | 88.2 | Confident | 85.3 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -30.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R47 L50 L58 E59 | R47-A62 HydrophobicContact CB-CB 4.38Å; R47-A62 PolarHBondContact NH1-O 3.09Å; L50-A62 HydrophobicContact CB-CB 3.67Å; L50-A62 HydrophobicContact CD1-CB 4.19Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.25Å; L58-A62 PolarHBondContact O-N 3.02Å; E59-A62 PolarHBondContact O-N 3.02Å |
| 63 | S | 84.6 | Confident | 85.2 | Confident | 53 Ų | 53 | 66 Ų | 66 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -86.7 | -12.3 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | E59 E60 K65 | E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 3.21Å; E59-S63 PolarHBondContact O-OG 3.46Å; E60-S63 WeakPolarHBondContact CA-OG 3.39Å; E60-S63 PolarHBondContact O-OG 2.99Å; S63-K65 PolarHBondContact O-N 3.33Å; S63-K65 WeakPolarHBondContact OG-CD 3.32Å; S63-K65 VanDerWaalsContact OG-CG 3.32Å; S63-K65 WeakPolarHBondContact OG-CG 3.48Å |
| 64 | G | 76.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 10 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E60 L61 K66 | E60-G64 CarbonylContact O-C 3.6Å; E60-G64 PolarHBondContact O-N 2.89Å; E60-G64 VanDerWaalsContact O-N 3.08Å; L61-G64 PolarHBondContact O-N 3.27Å; G64-K66 VanDerWaalsContact C-N 3.31Å |
| 65 | K | 72.6 | Confident | 85 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | trans | -68.7 | -30.9 | 174 | -69.1 | 172.8 | -171.5 | 161.2 | 0 | 112 | E59 E60 S63 | E59-K65 IonicContact OE1-NZ 2.64Å; E59-K65 PolarHBondContact OE1-NZ 2.76Å; E59-K65 IonicContact OE2-NZ 2.63Å; E60-K65 HydrophobicContact CB-CB 4.38Å; E60-K65 PolarHBondContact O-N 3.01Å; S63-K65 PolarHBondContact O-N 3.33Å; S63-K65 WeakPolarHBondContact OG-CD 3.32Å; S63-K65 VanDerWaalsContact OG-CG 3.32Å; S63-K65 WeakPolarHBondContact OG-CG 3.48Å | ||
| 66 | K | 73.8 | Confident | 85.2 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 32% | 0.317 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -89 | 122 | 173.4 | -174.2 | 166.4 | -163.7 | 155.3 | 0 | 109.7 | V57 E60 L61 G64 V68 | V57-K66 HydrophobicContact CG1-CD 4.19Å; E60-K66 HydrophobicContact CB-CB 3.55Å; E60-K66 HydrophobicContact CB-CD 4.44Å; E60-K66 PolarHBondContact O-N 3.2Å; L61-K66 HydrophobicContact CD2-CB 4.31Å; L61-K66 HydrophobicContact CD2-CD 4.15Å; L61-K66 HydrophobicContact CD2-CG 4.27Å; L61-K66 HydrophobicContact CG-CD 4.21Å; G64-K66 VanDerWaalsContact C-N 3.31Å; K66-V68 PolarHBondContact O-N 3.2Å; K66-V68 VanDerWaalsContact O-N 3.08Å |
| 67 | T | 68.1 | Low | 85.1 | Confident | 117 Ų | 117 | 64.8 Ų | 64.8 | 72% | 0.718 | 37% | 0.373 | S | S | * | . | trans | -60.9 | 113.6 | 168.6 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | Q69 | T67-Q69 PolarHBondContact O-N 3.46Š| ||
| 68 | V | 73.6 | Confident | 85.1 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | trans | -65.6 | 104.7 | 172.2 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | L61 K66 H70 T71 P77 | L61-V68 HydrophobicContact CD2-CG2 3.84Å; K66-V68 PolarHBondContact O-N 3.2Å; K66-V68 VanDerWaalsContact O-N 3.08Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 WeakPolarHBondContact CG1-O 3.35Å; V68-T71 HydrophobicContact CG1-CG2 3.76Å; V68-P77 HydrophobicContact CG1-CB 3.77Å; V68-P77 HydrophobicContact CG1-CG 4.23Å; V68-P77 HydrophobicContact CG2-CB 4.05Å; V68-P77 HydrophobicContact CG2-CG 4.05Å | ||
| 69 | Q | 71.1 | Confident | 85.1 | Confident | 162 Ų | 162 | 68.3 Ų | 68.3 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | trans | -70.7 | -31.9 | -176.7 | -66.6 | -176.2 | 1.1 | 0 | 0 | 111.9 | T67 | T67-Q69 PolarHBondContact O-N 3.46Š| ||
| 70 | H | 84.2 | Confident | 85.2 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | trans | -137.3 | 137.1 | -176.5 | -59.2 | -65 | 0 | 0 | 0 | 110.6 | V68 F78 | V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 WeakPolarHBondContact CG1-O 3.35Å; H70-F78 HydrophobicContact CB-CB 4.2Å; H70-F78 HydrophobicContact CB-CD1 4.24Å; H70-F78 WeakPolarHBondContact O-CB 3.29Å; H70-F78 PolarHBondContact O-N 2.98Å | ||
| 71 | T | 91 | Very high | 85.5 | Confident | 86 Ų | 86 | 75 Ų | 75 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -121 | 150.9 | 169.4 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | V68 N76 | V68-T71 HydrophobicContact CG1-CG2 3.76Å; T71-N76 CarbonylContact C-O 3.55Å; T71-N76 WeakPolarHBondContact CA-O 3.31Å; T71-N76 WeakPolarHBondContact CB-O 3.36Å |
| 72 | D | 90.7 | Very high | 85.9 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | trans | -72.8 | -179.9 | 171.5 | 70.4 | 13.2 | 0 | 0 | 0 | 112.2 | N37 M74 G75 N76 | N37-D72 HydrophobicContact CB-CB 4.33Å; N37-D72 WeakPolarHBondContact CB-OD2 3.34Å; N37-D72 WeakPolarHBondContact ND2-CB 3.36Å; N37-D72 PolarHBondContact ND2-OD2 3.4Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 VanDerWaalsContact O-N 3.11Å; D72-M74 WeakPolarHBondContact OD1-CA 3.47Å; D72-M74 WeakPolarHBondContact OD1-CB 3.33Å; D72-M74 PolarHBondContact OD1-N 3.37Å; D72-G75 PolarHBondContact O-N 3.2Å; D72-G75 PolarHBondContact OD1-N 3.4Å; D72-N76 PolarHBondContact N-O 3.49Å; D72-N76 PolarHBondContact OD1-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.32Å | ||
| 73 | S | 89.2 | Confident | 86.4 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 90% | 0.895 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.1 | 178.6 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 74 | M | 88.8 | Confident | 87 | Confident | 146 Ų | 146 | 77.1 Ų | 77.1 | 72% | 0.719 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.7 | 176.9 | -61.4 | -169.6 | 174.8 | 0 | 0 | 112.6 | D72 | D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 VanDerWaalsContact O-N 3.11Å; D72-M74 WeakPolarHBondContact OD1-CA 3.47Å; D72-M74 WeakPolarHBondContact OD1-CB 3.33Å; D72-M74 PolarHBondContact OD1-N 3.37Å |
| 75 | G | 88.9 | Confident | 88 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 79.9 | 13.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D72 | D72-G75 PolarHBondContact O-N 3.2Å; D72-G75 PolarHBondContact OD1-N 3.4Å |
| 76 | N | 91.7 | Very high | 89.2 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.15 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -79 | 140.6 | 174.1 | -51.6 | -58.8 | 0 | 0 | 0 | 109.8 | T35 N37 T71 D72 F78 | T35-N76 WeakPolarHBondContact CB-OD1 3.29Å; T35-N76 HydrophobicContact CG2-CB 4.45Å; N37-N76 HydrophobicContact CB-CB 4.48Å; T71-N76 CarbonylContact C-O 3.55Å; T71-N76 WeakPolarHBondContact CA-O 3.31Å; T71-N76 WeakPolarHBondContact CB-O 3.36Å; D72-N76 PolarHBondContact N-O 3.49Å; D72-N76 PolarHBondContact OD1-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.32Å; N76-F78 PolarHBondContact O-N 3.42Å |
| 77 | P | 92.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -52.2 | 125.3 | 170.3 | -26.7 | 34.4 | 0 | 0 | 0 | 111.7 | I34 T35 L36 N37 V68 | I34-P77 HydrophobicContact CD1-CG 4.34Å; T35-P77 WeakPolarHBondContact O-CD 3.47Å; L36-P77 HydrophobicContact CD2-CB 4Å; L36-P77 HydrophobicContact CD2-CG 4.25Å; N37-P77 PolarHBondContact N-O 2.83Å; V68-P77 HydrophobicContact CG1-CB 3.77Å; V68-P77 HydrophobicContact CG1-CG 4.23Å; V68-P77 HydrophobicContact CG2-CB 4.05Å; V68-P77 HydrophobicContact CG2-CG 4.05Å |
| 78 | F | 94.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 65 Ų | 65 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.1 | 178.8 | -178.9 | -104.9 | 0 | 0 | 0 | 110.6 | N37 H70 N76 D80 | N37-F78 HydrophobicContact CB-CD2 4.02Å; N37-F78 CarbonylContact O-C 3.57Å; N37-F78 VanDerWaalsContact O-CA 3.31Å; N37-F78 WeakPolarHBondContact O-CA 3.2Å; H70-F78 HydrophobicContact CB-CB 4.2Å; H70-F78 HydrophobicContact CB-CD1 4.24Å; H70-F78 WeakPolarHBondContact O-CB 3.29Å; H70-F78 PolarHBondContact O-N 2.98Å; N76-F78 PolarHBondContact O-N 3.42Å; F78-D80 HydrophobicContact CE1-CB 3.78Å; F78-D80 HydrophobicContact CZ-CB 4.33Å |
| 79 | I | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 114.6 | 177.4 | -58.8 | 168.7 | 0 | 0 | 0 | 106.9 | L36 N37 V38 G39 L58 L61 R81 F116 Y117 | L36-I79 HydrophobicContact CD1-CD1 4.32Å; N37-I79 PolarHBondContact O-N 2.79Å; V38-I79 CarbonylContact C-O 3.53Å; V38-I79 WeakPolarHBondContact CA-O 3.06Å; V38-I79 HydrophobicContact CG1-CB 4.46Å; V38-I79 HydrophobicContact CG1-CG2 4.46Å; V38-I79 HydrophobicContact CG2-CB 4.34Å; V38-I79 HydrophobicContact CG2-CD1 4.22Å; G39-I79 PolarHBondContact N-O 2.87Å; L58-I79 HydrophobicContact CD2-CD1 4.32Å; L61-I79 HydrophobicContact CD1-CD1 3.74Å; L61-I79 HydrophobicContact CD1-CG1 4.24Å; I79-R81 HydrophobicContact CG2-CB 3.89Å; I79-R81 HydrophobicContact CG2-CG 3.45Å; I79-R81 VanDerWaalsContact CG2-CG 3.45Å; I79-R81 PolarHBondContact O-N 2.86Å; I79-F116 HydrophobicContact CG2-CE1 4.26Å; I79-Y117 HydrophobicContact CD1-CE1 4.32Å; I79-Y117 HydrophobicContact CG2-CE1 4.19Å; I79-Y117 WeakPolarHBondContact CG2-OH 3.29Å |
| 80 | D | 95.5 | Very high | 94.2 | Very high | 132 Ų | 132 | 54.8 Ų | 54.8 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | trans | -79.4 | 68.1 | -179.4 | -168.9 | 22.7 | 0 | 0 | 0 | 111.2 | F78 | F78-D80 HydrophobicContact CE1-CB 3.78Å; F78-D80 HydrophobicContact CZ-CB 4.33Å | ||
| 81 | R | 96.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -140.6 | 174 | -176.7 | -60 | -60.6 | -66.1 | 168.6 | -2.5 | 111 | V38 G39 I79 G83 E113 F116 | V38-R81 HydrophobicContact CG1-CB 4.08Å; G39-R81 VanDerWaalsContact CA-O 3.24Å; G39-R81 WeakPolarHBondContact CA-O 3.3Å; G39-R81 PolarHBondContact N-O 2.63Å; I79-R81 HydrophobicContact CG2-CB 3.89Å; I79-R81 HydrophobicContact CG2-CG 3.45Å; I79-R81 VanDerWaalsContact CG2-CG 3.45Å; I79-R81 PolarHBondContact O-N 2.86Å; R81-G83 PolarHBondContact O-N 2.64Å; R81-G83 VanDerWaalsContact O-N 3.14Å; R81-E113 IonicContact CZ-OE1 3.85Å; R81-E113 VanDerWaalsContact CZ-OE1 3.23Å; R81-E113 IonicContact CZ-OE2 3.23Å; R81-E113 VanDerWaalsContact CZ-OE2 3.32Å; R81-E113 IonicContact NE-OE1 3.54Å; R81-E113 PolarHBondContact NE-OE1 3.29Å; R81-E113 IonicContact NE-OE2 3.44Å; R81-E113 PolarHBondContact NE-OE2 3.14Å; R81-E113 IonicContact NH2-OE1 2.8Å; R81-E113 PolarHBondContact NH2-OE1 2.87Å; R81-E113 IonicContact NH2-OE2 2.66Å; R81-E113 PolarHBondContact NH2-OE2 2.85Å; R81-E113 VanDerWaalsContact NH2-OE2 3.08Å; R81-F116 HydrophobicContact CG-CD1 3.86Å; R81-F116 HydrophobicContact CG-CE1 3.47Å; R81-F116 VanDerWaalsContact CG-CE1 3.47Å; R81-F116 HydrophobicContact CG-CE2 4.39Å; R81-F116 HydrophobicContact CG-CG 4.49Å; R81-F116 HydrophobicContact CG-CZ 3.76Å |
| 82 | D | 97.9 | Very high | 95.1 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -68.8 | 109.7 | -177.4 | -168.2 | -83.9 | 0 | 0 | 0 | 112.3 | P84 V85 F86 | D82-P84 VanDerWaalsContact OD1-CD 3.25Å; D82-P84 WeakPolarHBondContact OD1-CD 3.44Å; D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 VanDerWaalsContact OD1-CB 3.23Å; D82-V85 WeakPolarHBondContact OD1-CB 3.5Å; D82-V85 VanDerWaalsContact OD1-CG2 3.23Å; D82-V85 WeakPolarHBondContact OD1-CG2 3.42Å; D82-V85 PolarHBondContact OD1-N 2.85Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 PolarHBondContact O-N 2.72Å | ||
| 83 | G | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -50 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V38 Y43 R81 V85 F86 | V38-G83 VanDerWaalsContact O-CA 3.28Å; V38-G83 WeakPolarHBondContact O-CA 3.47Å; Y43-G83 WeakPolarHBondContact CE2-O 3.43Å; Y43-G83 PolarHBondContact OH-O 2.73Å; R81-G83 PolarHBondContact O-N 2.64Å; R81-G83 VanDerWaalsContact O-N 3.14Å; G83-V85 PolarHBondContact O-N 2.9Å; G83-F86 VanDerWaalsContact O-CB 3.29Å; G83-F86 WeakPolarHBondContact O-CB 3.44Å; G83-F86 PolarHBondContact O-N 3.3Å |
| 84 | P | 97.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 179.8 | -29.4 | 37 | 0 | 0 | 0 | 114 | F41 D82 F86 R87 | F41-P84 HydrophobicContact CE1-CG 4.12Å; F41-P84 HydrophobicContact CE2-CG 4.01Å; F41-P84 HydrophobicContact CZ-CG 3.7Å; D82-P84 VanDerWaalsContact OD1-CD 3.25Å; D82-P84 WeakPolarHBondContact OD1-CD 3.44Å; P84-F86 VanDerWaalsContact C-N 3.31Å; P84-F86 PolarHBondContact O-N 3.1Å; P84-R87 WeakPolarHBondContact O-CB 3.14Å; P84-R87 PolarHBondContact O-N 3.4Å |
| 85 | V | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -31.4 | 179.2 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | D82 G83 R87 H88 L109 L110 E113 | D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 VanDerWaalsContact OD1-CB 3.23Å; D82-V85 WeakPolarHBondContact OD1-CB 3.5Å; D82-V85 VanDerWaalsContact OD1-CG2 3.23Å; D82-V85 WeakPolarHBondContact OD1-CG2 3.42Å; D82-V85 PolarHBondContact OD1-N 2.85Å; G83-V85 PolarHBondContact O-N 2.9Å; V85-R87 PolarHBondContact O-N 3.26Å; V85-H88 PolarHBondContact O-N 2.84Å; V85-L109 HydrophobicContact CG2-CD2 3.63Å; V85-L109 HydrophobicContact CG2-CG 3.93Å; V85-L110 HydrophobicContact CG1-CB 3.99Å; V85-L110 HydrophobicContact CG1-CD1 3.63Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; V85-E113 HydrophobicContact CG1-CB 4.26Å; V85-E113 HydrophobicContact CG1-CG 3.89Å |
| 86 | F | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -27.1 | 178.3 | -171.4 | -100.7 | 0 | 0 | 0 | 113.8 | L36 V38 Y43 L58 D82 G83 P84 H88 I89 L90 Y117 | L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CZ 4.03Å; V38-F86 HydrophobicContact CB-CB 4.47Å; V38-F86 HydrophobicContact CB-CG 4.35Å; V38-F86 HydrophobicContact CG1-CB 4.04Å; V38-F86 HydrophobicContact CG1-CD2 4.24Å; V38-F86 HydrophobicContact CG1-CG 4.12Å; V38-F86 HydrophobicContact CG2-CD1 3.91Å; V38-F86 HydrophobicContact CG2-CD2 4.19Å; V38-F86 HydrophobicContact CG2-CE1 4.05Å; V38-F86 HydrophobicContact CG2-CE2 4.33Å; V38-F86 HydrophobicContact CG2-CG 3.97Å; V38-F86 HydrophobicContact CG2-CZ 4.26Å; Y43-F86 HydrophobicContact CD1-CD1 4.05Å; Y43-F86 HydrophobicContact CD1-CE1 4.45Å; Y43-F86 AromaticContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CD1 3.48Å; Y43-F86 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CE1 4.05Å; Y43-F86 HydrophobicContact CD2-CG 4.41Å; Y43-F86 HydrophobicContact CE1-CD1 4.24Å; Y43-F86 HydrophobicContact CE2-CB 4.04Å; Y43-F86 AromaticContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CG 4.28Å; Y43-F86 AromaticContact CG-CD1 3.67Å; Y43-F86 HydrophobicContact CG-CD1 3.67Å; Y43-F86 AromaticContact CG-CE1 3.93Å; Y43-F86 HydrophobicContact CG-CE1 3.93Å; L58-F86 HydrophobicContact CD1-CE2 4.03Å; L58-F86 HydrophobicContact CD1-CZ 4.23Å; L58-F86 HydrophobicContact CD2-CE2 3.97Å; L58-F86 HydrophobicContact CD2-CZ 4.01Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 PolarHBondContact O-N 2.72Å; G83-F86 VanDerWaalsContact O-CB 3.29Å; G83-F86 WeakPolarHBondContact O-CB 3.44Å; G83-F86 PolarHBondContact O-N 3.3Å; P84-F86 VanDerWaalsContact C-N 3.31Å; P84-F86 PolarHBondContact O-N 3.1Å; F86-H88 PolarHBondContact O-N 2.99Å; F86-I89 HydrophobicContact CD2-CB 4.34Å; F86-I89 HydrophobicContact CD2-CD1 4.22Å; F86-I89 HydrophobicContact CD2-CG2 4.42Å; F86-I89 HydrophobicContact CE2-CG2 4.25Å; F86-I89 WeakPolarHBondContact O-CB 3.28Å; F86-I89 PolarHBondContact O-N 3.02Å; F86-I89 VanDerWaalsContact O-N 3.17Å; F86-L90 HydrophobicContact CD1-CB 4.41Å; F86-L90 HydrophobicContact CE1-CB 4.15Å; F86-L90 HydrophobicContact CE1-CD2 4.37Å; F86-L90 PolarHBondContact O-N 3.3Å; F86-Y117 HydrophobicContact CD2-CE1 4.4Å; F86-Y117 AromaticContact CD2-CE2 3.78Å; F86-Y117 HydrophobicContact CD2-CE2 3.78Å; F86-Y117 AromaticContact CD2-CZ 3.62Å; F86-Y117 WeakPolarHBondContact CD2-OH 3.3Å; F86-Y117 AromaticContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE2 4.05Å; F86-Y117 AromaticContact CE2-CZ 3.64Å |
| 87 | R | 97.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.4 | -41.5 | 173.6 | -178.6 | -178.6 | 62.4 | 142.4 | 0.2 | 112.2 | Y43 P84 V85 L90 N91 | Y43-R87 HydrophobicContact CE1-CB 4.21Å; Y43-R87 PolarHBondContact OH-N 3.4Å; P84-R87 WeakPolarHBondContact O-CB 3.14Å; P84-R87 PolarHBondContact O-N 3.4Å; V85-R87 PolarHBondContact O-N 3.26Å; R87-L90 PolarHBondContact O-N 3.45Å; R87-N91 WeakPolarHBondContact O-CB 3.34Å; R87-N91 VanDerWaalsContact O-CG 3.29Å; R87-N91 PolarHBondContact O-N 3.49Å |
| 88 | H | 98.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | -178.9 | -62.9 | -76.3 | 0 | 0 | 0 | 111.4 | V85 F86 N91 F92 L100 F104 L110 | V85-H88 PolarHBondContact O-N 2.84Å; F86-H88 PolarHBondContact O-N 2.99Å; H88-N91 PolarHBondContact O-N 3.01Å; H88-F92 PolarHBondContact O-N 2.92Å; H88-L100 HydrophobicContact CB-CD2 4.35Å; H88-F104 AromaticContact CD2-CE2 3.89Å; H88-F104 AromaticContact NE2-CE2 3.56Å; H88-L110 HydrophobicContact CB-CD1 3.82Å; H88-L110 HydrophobicContact CB-CD2 4.22Å |
| 89 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 172.9 | -66.9 | 164.2 | 0 | 0 | 0 | 110.6 | L58 F86 N91 F92 L93 L110 E113 Y117 L119 L122 | L58-I89 HydrophobicContact CD1-CG2 4.05Å; F86-I89 HydrophobicContact CD2-CB 4.34Å; F86-I89 HydrophobicContact CD2-CD1 4.22Å; F86-I89 HydrophobicContact CD2-CG2 4.42Å; F86-I89 HydrophobicContact CE2-CG2 4.25Å; F86-I89 WeakPolarHBondContact O-CB 3.28Å; F86-I89 PolarHBondContact O-N 3.02Å; F86-I89 VanDerWaalsContact O-N 3.17Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.21Å; I89-F92 WeakPolarHBondContact O-CB 3.47Å; I89-F92 PolarHBondContact O-N 3.09Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.28Å; I89-L110 HydrophobicContact CG1-CD1 3.94Å; I89-E113 HydrophobicContact CD1-CB 3.5Å; I89-Y117 HydrophobicContact CD1-CD2 3.44Å; I89-Y117 VanDerWaalsContact CD1-CD2 3.44Å; I89-Y117 HydrophobicContact CD1-CE2 3.49Å; I89-Y117 VanDerWaalsContact CD1-CE2 3.49Å; I89-Y117 HydrophobicContact CG2-CD2 4.36Å; I89-L119 HydrophobicContact CG2-CD1 3.5Å; I89-L119 VanDerWaalsContact CG2-CD1 3.5Å; I89-L122 HydrophobicContact CB-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CD2 3.91Å |
| 90 | L | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | -179 | -175.6 | 57.8 | 0 | 0 | 0 | 112.1 | Y43 A45 T49 L50 F86 R87 L93 R94 | Y43-L90 HydrophobicContact CD1-CD2 3.86Å; Y43-L90 HydrophobicContact CG-CD2 4.42Å; A45-L90 HydrophobicContact CB-CD1 3.74Å; A45-L90 HydrophobicContact CB-CD2 4.37Å; T49-L90 HydrophobicContact CG2-CD1 4.16Å; L50-L90 HydrophobicContact CD2-CD1 4Å; F86-L90 HydrophobicContact CD1-CB 4.41Å; F86-L90 HydrophobicContact CE1-CB 4.15Å; F86-L90 HydrophobicContact CE1-CD2 4.37Å; F86-L90 PolarHBondContact O-N 3.3Å; R87-L90 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 2.9Å; L90-R94 WeakPolarHBondContact O-CG 3.45Å; L90-R94 PolarHBondContact O-N 2.98Å |
| 91 | N | 97.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 175 | -75.6 | -12.4 | 0 | 0 | 0 | 112 | R87 H88 I89 L93 R94 T95 | R87-N91 WeakPolarHBondContact O-CB 3.34Å; R87-N91 VanDerWaalsContact O-CG 3.29Å; R87-N91 PolarHBondContact O-N 3.49Å; H88-N91 PolarHBondContact O-N 3.01Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.21Å; N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 3.17Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.25Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact OD1-NH1 3.44Å; N91-T95 PolarHBondContact O-N 2.92Å; N91-T95 PolarHBondContact O-OG1 3.31Å; N91-T95 VanDerWaalsContact O-OG1 3.08Å |
| 92 | F | 97.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 172.7 | 178 | -95.9 | 0 | 0 | 0 | 111.7 | H88 I89 R94 G96 L122 A125 | H88-F92 PolarHBondContact O-N 2.92Å; I89-F92 WeakPolarHBondContact O-CB 3.47Å; I89-F92 PolarHBondContact O-N 3.09Å; F92-R94 PolarHBondContact O-N 3.07Å; F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.47Å; F92-G96 PolarHBondContact O-N 3.42Å; F92-L122 HydrophobicContact CB-CD1 4.05Å; F92-L122 HydrophobicContact CB-CD2 4.39Å; F92-L122 HydrophobicContact CD1-CB 3.79Å; F92-L122 HydrophobicContact CD1-CD1 4.25Å; F92-L122 HydrophobicContact CD1-CD2 4.31Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CD2-CB 4.41Å; F92-L122 HydrophobicContact CD2-CD1 3.7Å; F92-L122 HydrophobicContact CE1-CB 3.68Å; F92-L122 HydrophobicContact CE2-CB 4.31Å; F92-L122 HydrophobicContact CE2-CD1 4.2Å; F92-L122 HydrophobicContact CG-CB 4.16Å; F92-L122 HydrophobicContact CG-CD1 3.73Å; F92-L122 HydrophobicContact CG-CD2 4.35Å; F92-L122 HydrophobicContact CG-CG 4.29Å; F92-L122 HydrophobicContact CZ-CB 3.96Å; F92-A125 HydrophobicContact CE2-CB 4.35Å |
| 93 | L | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -23.1 | 176 | -67.4 | 176.4 | 0 | 0 | 0 | 113.8 | T49 L50 R52 H53 L58 I89 L90 N91 L119 | T49-L93 HydrophobicContact CG2-CB 3.84Å; L50-L93 HydrophobicContact CD2-CD1 4.28Å; R52-L93 VanDerWaalsContact CD-O 3.26Å; R52-L93 WeakPolarHBondContact CD-O 3.43Å; R52-L93 PolarHBondContact NE-O 3.12Å; R52-L93 VanDerWaalsContact NE-O 3.16Å; R52-L93 PolarHBondContact NH1-O 3.39Å; H53-L93 HydrophobicContact CB-CD2 4.5Å; L58-L93 HydrophobicContact CD1-CD1 3.5Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 2.9Å; N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 3.17Å; L93-L119 HydrophobicContact CD2-CD2 3.98Å |
| 94 | R | 96.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 52.8 Ų | 52.8 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -81.9 | -47.7 | 176.8 | -70.7 | 169.1 | 175.8 | 150.2 | -4.6 | 112 | A44 T49 R52 L90 N91 F92 | A44-R94 PolarHBondContact O-NH2 3.42Å; T49-R94 HydrophobicContact CG2-CG 3.64Å; R52-R94 VanDerWaalsContact CZ-O 3.32Å; R52-R94 VanDerWaalsContact NH1-C 3.3Å; R52-R94 PolarHBondContact NH1-O 3.23Å; R52-R94 PolarHBondContact NH2-O 2.89Å; R52-R94 VanDerWaalsContact NH2-O 3.08Å; L90-R94 WeakPolarHBondContact O-CG 3.45Å; L90-R94 PolarHBondContact O-N 2.98Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.25Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact OD1-NH1 3.44Å; F92-R94 PolarHBondContact O-N 3.07Å |
| 95 | T | 95.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -92.8 | -36.6 | -172.1 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | N91 D97 | N91-T95 PolarHBondContact O-N 2.92Å; N91-T95 PolarHBondContact O-OG1 3.31Å; N91-T95 VanDerWaalsContact O-OG1 3.08Å; T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact OG1-N 2.85Å; T95-D97 VanDerWaalsContact OG1-N 3.13Å; T95-D97 PolarHBondContact OG1-O 2.92Å |
| 96 | G | 94.4 | Very high | 94 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 91 | -4.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F92 | F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.47Å; F92-G96 PolarHBondContact O-N 3.42Å |
| 97 | D | 95.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -120.2 | 142.8 | -172.7 | -59.5 | -42.9 | 0 | 0 | 0 | 111.5 | T95 Q99 | T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact OG1-N 2.85Å; T95-D97 VanDerWaalsContact OG1-N 3.13Å; T95-D97 PolarHBondContact OG1-O 2.92Å; D97-Q99 PolarHBondContact O-N 2.7Å |
| 98 | L | 96.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | trans | -77.4 | 112.2 | 173.4 | 179 | 62 | 0 | 0 | 0 | 110.6 | L100 L110 L122 A125 I126 W129 | L98-L100 HydrophobicContact CD1-CD1 3.96Å; L98-L100 HydrophobicContact CD1-CD2 3.9Å; L98-L100 HydrophobicContact CD1-CG 3.73Å; L98-L100 HydrophobicContact CD2-CD1 4.02Å; L98-L100 HydrophobicContact CD2-CG 4.46Å; L98-L100 HydrophobicContact CG-CD1 4.07Å; L98-L100 HydrophobicContact CG-CG 3.97Å; L98-L110 HydrophobicContact CD1-CD2 4.12Å; L98-L122 HydrophobicContact CD1-CD1 3.81Å; L98-A125 HydrophobicContact CB-CB 3.95Å; L98-A125 HydrophobicContact CD2-CB 4.33Å; L98-A125 WeakPolarHBondContact CD2-O 3.16Å; L98-I126 HydrophobicContact CD1-CG1 4.3Å; L98-I126 HydrophobicContact CD2-CB 4.28Å; L98-I126 HydrophobicContact CD2-CG1 3.71Å; L98-W129 HydrophobicContact CD2-CB 3.79Å; L98-W129 HydrophobicContact CD2-CG 4.08Å | ||
| 99 | Q | 93.6 | Very high | 93.6 | Very high | 120 Ų | 120 | 62.4 Ų | 62.4 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | trans | -117.1 | 107.6 | 177.4 | -64.8 | -176.3 | -38.1 | 0 | 0 | 110.4 | D97 | D97-Q99 PolarHBondContact O-N 2.7Š| ||
| 100 | L | 94.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | trans | -120.5 | 143.3 | 179.9 | -60.6 | 178.5 | 0 | 0 | 0 | 110.4 | H88 L98 F104 L110 W129 | H88-L100 HydrophobicContact CB-CD2 4.35Å; L98-L100 HydrophobicContact CD1-CD1 3.96Å; L98-L100 HydrophobicContact CD1-CD2 3.9Å; L98-L100 HydrophobicContact CD1-CG 3.73Å; L98-L100 HydrophobicContact CD2-CD1 4.02Å; L98-L100 HydrophobicContact CD2-CG 4.46Å; L98-L100 HydrophobicContact CG-CD1 4.07Å; L98-L100 HydrophobicContact CG-CG 3.97Å; L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CB-CD1 4.34Å; L100-F104 HydrophobicContact CB-CG 4.28Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 4.17Å; L100-F104 HydrophobicContact CD2-CD1 3.89Å; L100-F104 HydrophobicContact CD2-CE1 3.9Å; L100-F104 HydrophobicContact CD2-CG 4.2Å; L100-F104 HydrophobicContact CD2-CZ 4.25Å; L100-F104 HydrophobicContact CG-CD1 4.21Å; L100-L110 HydrophobicContact CD1-CD2 4.19Å; L100-L110 HydrophobicContact CD2-CD2 3.64Å; L100-L110 HydrophobicContact CG-CD2 4.49Å; L100-W129 HydrophobicContact CB-CZ2 3.9Å; L100-W129 HydrophobicContact CD1-CD2 4.03Å; L100-W129 HydrophobicContact CD1-CE3 4.35Å; L100-W129 HydrophobicContact CD1-CH2 4.19Å; L100-W129 HydrophobicContact CD1-CZ2 3.82Å; L100-W129 HydrophobicContact CD1-CZ3 4.47Å; L100-W129 HydrophobicContact CG-CZ2 4.49Å | ||
| 101 | P | 91.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | trans | -54.6 | 149.3 | 166.5 | -24.6 | 33.3 | 0 | 0 | 0 | 112.2 | D103 F104 | P101-D103 WeakPolarHBondContact CB-OD1 3.18Å; P101-D103 PolarHBondContact O-N 2.96Å; P101-D103 VanDerWaalsContact O-N 3.16Å; P101-F104 HydrophobicContact CB-CB 4.34Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 2.76Å | ||
| 102 | D | 82.1 | Confident | 93.6 | Very high | 143 Ų | 143 | 71.2 Ų | 71.2 | 77% | 0.765 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.2 | 178.6 | -68.6 | -29.7 | 0 | 0 | 0 | 112.2 | R133 | D102-R133 VanDerWaalsContact O-CZ 3.25Å; D102-R133 PolarHBondContact O-NH1 3.34Å; D102-R133 PolarHBondContact O-NH2 3Å |
| 103 | D | 82.4 | Confident | 93.6 | Very high | 121 Ų | 121 | 70.5 Ų | 70.5 | 65% | 0.647 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 12.7 | -179.5 | 70.1 | -30.9 | 0 | 0 | 0 | 113.9 | P101 R105 | P101-D103 WeakPolarHBondContact CB-OD1 3.18Å; P101-D103 PolarHBondContact O-N 2.96Å; P101-D103 VanDerWaalsContact O-N 3.16Å; D103-R105 WeakPolarHBondContact O-CG 3.26Å; D103-R105 PolarHBondContact O-N 3.27Å; D103-R105 VanDerWaalsContact O-N 3.09Å |
| 104 | F | 90.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 35% | 0.345 | C | S | . | . | trans | -61.2 | 113.8 | -177.5 | -171 | -106.3 | 0 | 0 | 0 | 112 | H88 L100 P101 E106 V107 L110 | H88-F104 AromaticContact CD2-CE2 3.89Å; H88-F104 AromaticContact NE2-CE2 3.56Å; L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CB-CD1 4.34Å; L100-F104 HydrophobicContact CB-CG 4.28Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 4.17Å; L100-F104 HydrophobicContact CD2-CD1 3.89Å; L100-F104 HydrophobicContact CD2-CE1 3.9Å; L100-F104 HydrophobicContact CD2-CG 4.2Å; L100-F104 HydrophobicContact CD2-CZ 4.25Å; L100-F104 HydrophobicContact CG-CD1 4.21Å; P101-F104 HydrophobicContact CB-CB 4.34Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 2.76Å; F104-E106 VanDerWaalsContact CE1-C 3.48Å; F104-E106 HydrophobicContact CE1-CB 4.3Å; F104-E106 HydrophobicContact CE2-CB 4.28Å; F104-E106 HydrophobicContact CZ-CB 3.9Å; F104-V107 HydrophobicContact CD1-CG2 3.63Å; F104-V107 HydrophobicContact CE1-CG2 4.1Å; F104-L110 HydrophobicContact CE1-CB 4.14Å; F104-L110 HydrophobicContact CE1-CD2 3.98Å; F104-L110 HydrophobicContact CZ-CB 4.27Å; F104-L110 HydrophobicContact CZ-CD2 4.3Å | ||
| 105 | R | 85.7 | Confident | 93.7 | Very high | 224 Ų | 224 | 70.1 Ų | 70.1 | 85% | 0.845 | 35% | 0.348 | S | S | * | . | trans | -97.9 | -12.5 | -174.3 | -53.9 | -165.6 | 178.1 | -166.7 | -3.4 | 114.3 | D103 V107 | D103-R105 WeakPolarHBondContact O-CG 3.26Å; D103-R105 PolarHBondContact O-N 3.27Å; D103-R105 VanDerWaalsContact O-N 3.09Å; R105-V107 PolarHBondContact O-N 3.06Å | ||
| 106 | E | 93.7 | Very high | 93.8 | Very high | 102 Ų | 102 | 71 Ų | 71 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | trans | -98.5 | 26.9 | -170.2 | -63 | -177.4 | 101.1 | 0 | 0 | 113 | F104 G108 L109 L110 | F104-E106 VanDerWaalsContact CE1-C 3.48Å; F104-E106 HydrophobicContact CE1-CB 4.3Å; F104-E106 HydrophobicContact CE2-CB 4.28Å; F104-E106 HydrophobicContact CZ-CB 3.9Å; E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 3.03Å; E106-L109 HydrophobicContact CB-CB 4.32Å; E106-L109 WeakPolarHBondContact O-CA 3.27Å; E106-L109 WeakPolarHBondContact O-CB 3.38Å; E106-L109 PolarHBondContact O-N 3.27Å; E106-L110 PolarHBondContact O-N 3.09Å | ||
| 107 | V | 94 | Very high | 93.9 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.9 | -43.4 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | F104 R105 L109 L110 R111 I126 W129 E130 | F104-V107 HydrophobicContact CD1-CG2 3.63Å; F104-V107 HydrophobicContact CE1-CG2 4.1Å; R105-V107 PolarHBondContact O-N 3.06Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 2.88Å; V107-L110 PolarHBondContact O-N 3.16Å; V107-R111 PolarHBondContact O-N 3.16Å; V107-I126 HydrophobicContact CG1-CG2 3.65Å; V107-W129 HydrophobicContact CB-CZ3 4.43Å; V107-W129 HydrophobicContact CG1-CE3 4.35Å; V107-W129 HydrophobicContact CG1-CZ3 4.19Å; V107-W129 HydrophobicContact CG2-CE3 4.28Å; V107-W129 HydrophobicContact CG2-CH2 3.72Å; V107-W129 HydrophobicContact CG2-CZ3 3.39Å; V107-E130 HydrophobicContact CG1-CG 3.71Å; V107-E130 WeakPolarHBondContact CG1-OE1 3.29Å |
| 108 | G | 92.8 | Very high | 94 | Very high | 26 Ų | 26 | 70 Ų | 70 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -23.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E106 R112 | E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 3.03Å; G108-R112 WeakPolarHBondContact O-CG 3.45Å; G108-R112 PolarHBondContact O-NE 3.05Å |
| 109 | L | 97.1 | Very high | 94.1 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -78.2 | -46.4 | 171.4 | 176.5 | 58.5 | 0 | 0 | 0 | 109.8 | V85 E106 V107 R111 R112 E113 | V85-L109 HydrophobicContact CG2-CD2 3.63Å; V85-L109 HydrophobicContact CG2-CG 3.93Å; E106-L109 HydrophobicContact CB-CB 4.32Å; E106-L109 WeakPolarHBondContact O-CA 3.27Å; E106-L109 WeakPolarHBondContact O-CB 3.38Å; E106-L109 PolarHBondContact O-N 3.27Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.78Å; L109-R112 WeakPolarHBondContact O-CB 3.42Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.1Å; L109-E113 PolarHBondContact O-N 2.86Å |
| 110 | L | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.2 | -41.5 | 175.1 | 179 | 62.2 | 0 | 0 | 0 | 112.4 | V85 H88 I89 L98 L100 F104 E106 V107 E113 A114 I126 | V85-L110 HydrophobicContact CG1-CB 3.99Å; V85-L110 HydrophobicContact CG1-CD1 3.63Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; H88-L110 HydrophobicContact CB-CD1 3.82Å; H88-L110 HydrophobicContact CB-CD2 4.22Å; I89-L110 HydrophobicContact CG1-CD1 3.94Å; L98-L110 HydrophobicContact CD1-CD2 4.12Å; L100-L110 HydrophobicContact CD1-CD2 4.19Å; L100-L110 HydrophobicContact CD2-CD2 3.64Å; L100-L110 HydrophobicContact CG-CD2 4.49Å; F104-L110 HydrophobicContact CE1-CB 4.14Å; F104-L110 HydrophobicContact CE1-CD2 3.98Å; F104-L110 HydrophobicContact CZ-CB 4.27Å; F104-L110 HydrophobicContact CZ-CD2 4.3Å; E106-L110 PolarHBondContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 3.16Å; L110-E113 PolarHBondContact O-N 3.36Å; L110-A114 WeakPolarHBondContact O-CB 3.22Å; L110-A114 PolarHBondContact O-N 3.16Å; L110-I126 HydrophobicContact CD2-CD1 4.05Å; L110-I126 HydrophobicContact CD2-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 3.76Å |
| 111 | R | 97.9 | Very high | 94.3 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 30% | 0.302 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.2 | -167.2 | 173 | 70.2 | -145.6 | 2.9 | 112.3 | V107 L109 E113 A114 E115 V123 I126 E130 | V107-R111 PolarHBondContact O-N 3.16Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.78Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 3.37Å; R111-A114 WeakPolarHBondContact O-CB 3.28Å; R111-A114 PolarHBondContact O-N 2.8Å; R111-E115 WeakPolarHBondContact O-CG 3.36Å; R111-E115 PolarHBondContact O-N 3.48Å; R111-V123 HydrophobicContact CG-CG1 4.49Å; R111-I126 HydrophobicContact CB-CD1 4.4Å; R111-I126 HydrophobicContact CB-CG2 4.23Å; R111-I126 HydrophobicContact CG-CG2 4.45Å; R111-E130 IonicContact NH1-OE1 3.32Å; R111-E130 IonicContact NH1-OE2 3.05Å; R111-E130 PolarHBondContact NH1-OE2 2.9Å |
| 112 | R | 97.9 | Very high | 94.6 | Very high | 154 Ų | 154 | 63.4 Ų | 63.4 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 176.6 | -73.9 | -178.3 | -113.4 | 163.4 | -8.4 | 112.4 | G108 L109 F116 | G108-R112 WeakPolarHBondContact O-CG 3.45Å; G108-R112 PolarHBondContact O-NE 3.05Å; L109-R112 WeakPolarHBondContact O-CB 3.42Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.1Å; R112-F116 PolarHBondContact O-N 3.25Å |
| 113 | E | 98.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 173.8 | -63.3 | -53.1 | 137.2 | 0 | 0 | 111.4 | R81 V85 I89 L109 L110 R111 E115 F116 Y117 | R81-E113 IonicContact CZ-OE1 3.85Å; R81-E113 VanDerWaalsContact CZ-OE1 3.23Å; R81-E113 IonicContact CZ-OE2 3.23Å; R81-E113 VanDerWaalsContact CZ-OE2 3.32Å; R81-E113 IonicContact NE-OE1 3.54Å; R81-E113 PolarHBondContact NE-OE1 3.29Å; R81-E113 IonicContact NE-OE2 3.44Å; R81-E113 PolarHBondContact NE-OE2 3.14Å; R81-E113 IonicContact NH2-OE1 2.8Å; R81-E113 PolarHBondContact NH2-OE1 2.87Å; R81-E113 IonicContact NH2-OE2 2.66Å; R81-E113 PolarHBondContact NH2-OE2 2.85Å; R81-E113 VanDerWaalsContact NH2-OE2 3.08Å; V85-E113 HydrophobicContact CG1-CB 4.26Å; V85-E113 HydrophobicContact CG1-CG 3.89Å; I89-E113 HydrophobicContact CD1-CB 3.5Å; L109-E113 PolarHBondContact O-N 2.86Å; L110-E113 PolarHBondContact O-N 3.36Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 3.37Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.34Å; E113-F116 WeakPolarHBondContact O-CB 3.4Å; E113-F116 PolarHBondContact O-N 3.41Å; E113-F116 VanDerWaalsContact O-N 3.13Å; E113-Y117 HydrophobicContact CB-CD2 4.47Å; E113-Y117 HydrophobicContact CB-CE2 4.34Å; E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.1Å |
| 114 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L110 R111 R118 L119 L122 V123 I126 | L110-A114 WeakPolarHBondContact O-CB 3.22Å; L110-A114 PolarHBondContact O-N 3.16Å; R111-A114 WeakPolarHBondContact O-CB 3.28Å; R111-A114 PolarHBondContact O-N 2.8Å; A114-R118 PolarHBondContact O-N 3.49Å; A114-R118 VanDerWaalsContact O-N 3.16Å; A114-L119 PolarHBondContact O-N 3.32Å; A114-L122 HydrophobicContact CB-CB 4.19Å; A114-L122 HydrophobicContact CB-CD2 3.69Å; A114-L122 HydrophobicContact CB-CG 3.74Å; A114-V123 HydrophobicContact CB-CG2 3.75Å; A114-I126 HydrophobicContact CB-CD1 4.15Å |
| 115 | E | 97.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 172.5 | -71.4 | 165.4 | -169.7 | 0 | 0 | 111.7 | R111 E113 Y117 R118 V123 | R111-E115 WeakPolarHBondContact O-CG 3.36Å; R111-E115 PolarHBondContact O-N 3.48Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.34Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 3.41Å; E115-R118 WeakPolarHBondContact O-CA 3.42Å; E115-R118 PolarHBondContact O-N 3.28Å; E115-V123 HydrophobicContact CG-CG2 4Å |
| 116 | F | 97.3 | Very high | 96.8 | Very high | 85 Ų | 85 | 47 Ų | 47 | 37% | 0.373 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 177.6 | 171.9 | -91.9 | 0 | 0 | 0 | 112.3 | V57 I79 R81 R112 E113 R118 | V57-F116 WeakPolarHBondContact CG2-O 3.37Å; I79-F116 HydrophobicContact CG2-CE1 4.26Å; R81-F116 HydrophobicContact CG-CD1 3.86Å; R81-F116 HydrophobicContact CG-CE1 3.47Å; R81-F116 VanDerWaalsContact CG-CE1 3.47Å; R81-F116 HydrophobicContact CG-CE2 4.39Å; R81-F116 HydrophobicContact CG-CG 4.49Å; R81-F116 HydrophobicContact CG-CZ 3.76Å; R112-F116 PolarHBondContact O-N 3.25Å; E113-F116 WeakPolarHBondContact O-CB 3.4Å; E113-F116 PolarHBondContact O-N 3.41Å; E113-F116 VanDerWaalsContact O-N 3.13Å; F116-R118 PolarHBondContact O-N 2.96Å |
| 117 | Y | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5 | 178.3 | -68 | -69.1 | 0 | 0 | 0 | 113.5 | S56 V57 L58 I79 F86 I89 E113 E115 | S56-Y117 WeakPolarHBondContact CA-O 3.42Å; S56-Y117 WeakPolarHBondContact CB-O 3.14Å; V57-Y117 HydrophobicContact CB-CD1 4.19Å; V57-Y117 HydrophobicContact CG1-CD1 4.35Å; V57-Y117 PolarHBondContact N-O 3.08Å; L58-Y117 HydrophobicContact CD1-CD1 4.04Å; L58-Y117 HydrophobicContact CD1-CG 4.28Å; L58-Y117 HydrophobicContact CD2-CD1 3.81Å; L58-Y117 HydrophobicContact CD2-CE1 3.82Å; L58-Y117 HydrophobicContact CG-CD1 3.71Å; L58-Y117 HydrophobicContact CG-CE1 4.25Å; L58-Y117 HydrophobicContact CG-CG 4.36Å; I79-Y117 HydrophobicContact CD1-CE1 4.32Å; I79-Y117 HydrophobicContact CG2-CE1 4.19Å; I79-Y117 WeakPolarHBondContact CG2-OH 3.29Å; F86-Y117 HydrophobicContact CD2-CE1 4.4Å; F86-Y117 AromaticContact CD2-CE2 3.78Å; F86-Y117 HydrophobicContact CD2-CE2 3.78Å; F86-Y117 AromaticContact CD2-CZ 3.62Å; F86-Y117 WeakPolarHBondContact CD2-OH 3.3Å; F86-Y117 AromaticContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE2 4.05Å; F86-Y117 AromaticContact CE2-CZ 3.64Å; I89-Y117 HydrophobicContact CD1-CD2 3.44Å; I89-Y117 VanDerWaalsContact CD1-CD2 3.44Å; I89-Y117 HydrophobicContact CD1-CE2 3.49Å; I89-Y117 VanDerWaalsContact CD1-CE2 3.49Å; I89-Y117 HydrophobicContact CG2-CD2 4.36Å; E113-Y117 HydrophobicContact CB-CD2 4.47Å; E113-Y117 HydrophobicContact CB-CE2 4.34Å; E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.1Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 3.41Å |
| 118 | R | 97.4 | Very high | 96.8 | Very high | 115 Ų | 115 | 51.3 Ų | 51.3 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 54.1 | -175.5 | -61.5 | 178 | -69.4 | 170.3 | 0.5 | 111.8 | H53 G55 E60 A114 E115 F116 | H53-R118 PolarHBondContact CD2-O 2.87Å; H53-R118 VanDerWaalsContact CD2-O 3.32Å; G55-R118 PolarHBondContact O-NE 2.87Å; G55-R118 PolarHBondContact O-NH1 3.04Å; G55-R118 PolarHBondContact O-NH2 2.91Å; G55-R118 VanDerWaalsContact O-NH2 3.16Å; E60-R118 IonicContact OE1-CZ 2.71Å; E60-R118 IonicContact OE1-NH1 3.57Å; E60-R118 IonicContact OE1-NH2 3.06Å; E60-R118 PolarHBondContact OE1-NH2 3.42Å; E60-R118 IonicContact OE2-NH2 3.02Å; E60-R118 PolarHBondContact OE2-NH2 2.92Å; A114-R118 PolarHBondContact O-N 3.49Å; A114-R118 VanDerWaalsContact O-N 3.16Å; E115-R118 WeakPolarHBondContact O-CA 3.42Å; E115-R118 PolarHBondContact O-N 3.28Å; F116-R118 PolarHBondContact O-N 2.96Å |
| 119 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | trans | -108.4 | 78.5 | 178.4 | -63.1 | 174.5 | 0 | 0 | 0 | 109.7 | H53 I89 L93 A114 G121 L122 V123 | H53-L119 HydrophobicContact CB-CD2 3.65Å; I89-L119 HydrophobicContact CG2-CD1 3.5Å; I89-L119 VanDerWaalsContact CG2-CD1 3.5Å; L93-L119 HydrophobicContact CD2-CD2 3.98Å; A114-L119 PolarHBondContact O-N 3.32Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3Å; L119-L122 HydrophobicContact CB-CB 3.92Å; L119-L122 HydrophobicContact CD1-CD2 4.15Å; L119-L122 WeakPolarHBondContact O-CB 3.27Å; L119-L122 PolarHBondContact O-N 2.95Å; L119-V123 PolarHBondContact O-N 2.79Å; L119-V123 VanDerWaalsContact O-N 3.1Å | ||
| 120 | S | 95.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | -174.3 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | L122 V123 E124 | S120-L122 PolarHBondContact O-N 3.05Å; S120-V123 WeakPolarHBondContact O-CB 3.34Å; S120-V123 PolarHBondContact O-N 3.08Å; S120-E124 WeakPolarHBondContact O-CG 3.34Å; S120-E124 PolarHBondContact O-N 2.87Å |
| 121 | G | 96.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -27.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L119 A125 | L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.96Å; G121-A125 VanDerWaalsContact O-N 3.1Å |
| 122 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.7 | -39.1 | 172.7 | 177.4 | 55.7 | 0 | 0 | 0 | 111.1 | I89 F92 L98 A114 L119 S120 E124 A125 I126 | I89-L122 HydrophobicContact CB-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CD2 3.91Å; F92-L122 HydrophobicContact CB-CD1 4.05Å; F92-L122 HydrophobicContact CB-CD2 4.39Å; F92-L122 HydrophobicContact CD1-CB 3.79Å; F92-L122 HydrophobicContact CD1-CD1 4.25Å; F92-L122 HydrophobicContact CD1-CD2 4.31Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CD2-CB 4.41Å; F92-L122 HydrophobicContact CD2-CD1 3.7Å; F92-L122 HydrophobicContact CE1-CB 3.68Å; F92-L122 HydrophobicContact CE2-CB 4.31Å; F92-L122 HydrophobicContact CE2-CD1 4.2Å; F92-L122 HydrophobicContact CG-CB 4.16Å; F92-L122 HydrophobicContact CG-CD1 3.73Å; F92-L122 HydrophobicContact CG-CD2 4.35Å; F92-L122 HydrophobicContact CG-CG 4.29Å; F92-L122 HydrophobicContact CZ-CB 3.96Å; L98-L122 HydrophobicContact CD1-CD1 3.81Å; A114-L122 HydrophobicContact CB-CB 4.19Å; A114-L122 HydrophobicContact CB-CD2 3.69Å; A114-L122 HydrophobicContact CB-CG 3.74Å; L119-L122 HydrophobicContact CB-CB 3.92Å; L119-L122 HydrophobicContact CD1-CD2 4.15Å; L119-L122 WeakPolarHBondContact O-CB 3.27Å; L119-L122 PolarHBondContact O-N 2.95Å; S120-L122 PolarHBondContact O-N 3.05Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-A125 PolarHBondContact O-N 2.95Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.1Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.49Å; L122-I126 WeakPolarHBondContact O-CD1 3.4Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.17Å |
| 123 | V | 97.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | R111 A114 E115 L119 S120 I126 L127 | R111-V123 HydrophobicContact CG-CG1 4.49Å; A114-V123 HydrophobicContact CB-CG2 3.75Å; E115-V123 HydrophobicContact CG-CG2 4Å; L119-V123 PolarHBondContact O-N 2.79Å; L119-V123 VanDerWaalsContact O-N 3.1Å; S120-V123 WeakPolarHBondContact O-CB 3.34Å; S120-V123 PolarHBondContact O-N 3.08Å; V123-I126 PolarHBondContact O-N 3.28Å; V123-L127 HydrophobicContact CG1-CD1 4.35Å; V123-L127 WeakPolarHBondContact O-CG 3.3Å; V123-L127 PolarHBondContact O-N 3.34Å; V123-L127 VanDerWaalsContact O-N 3.08Å |
| 124 | E | 97.1 | Very high | 93 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 176 | -71.5 | 166.5 | -171.4 | 0 | 0 | 111.4 | S120 L122 I126 L127 E128 | S120-E124 WeakPolarHBondContact O-CG 3.34Å; S120-E124 PolarHBondContact O-N 2.87Å; L122-E124 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 3.13Å; E124-L127 VanDerWaalsContact O-N 3.07Å; E124-E128 PolarHBondContact O-N 3.31Å |
| 125 | A | 96.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | F92 L98 G121 L122 W129 | F92-A125 HydrophobicContact CE2-CB 4.35Å; L98-A125 HydrophobicContact CB-CB 3.95Å; L98-A125 HydrophobicContact CD2-CB 4.33Å; L98-A125 WeakPolarHBondContact CD2-O 3.16Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.96Å; G121-A125 VanDerWaalsContact O-N 3.1Å; L122-A125 PolarHBondContact O-N 2.95Å; A125-W129 VanDerWaalsContact O-CB 3.27Å; A125-W129 WeakPolarHBondContact O-CB 3.46Å; A125-W129 PolarHBondContact O-N 3.48Å |
| 126 | I | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 175.4 | -69.8 | 162.2 | 0 | 0 | 0 | 110.9 | L98 V107 L110 R111 A114 L122 V123 E124 W129 E130 | L98-I126 HydrophobicContact CD1-CG1 4.3Å; L98-I126 HydrophobicContact CD2-CB 4.28Å; L98-I126 HydrophobicContact CD2-CG1 3.71Å; V107-I126 HydrophobicContact CG1-CG2 3.65Å; L110-I126 HydrophobicContact CD2-CD1 4.05Å; L110-I126 HydrophobicContact CD2-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 3.76Å; R111-I126 HydrophobicContact CB-CD1 4.4Å; R111-I126 HydrophobicContact CB-CG2 4.23Å; R111-I126 HydrophobicContact CG-CG2 4.45Å; A114-I126 HydrophobicContact CB-CD1 4.15Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.1Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.49Å; L122-I126 WeakPolarHBondContact O-CD1 3.4Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.17Å; V123-I126 PolarHBondContact O-N 3.28Å; E124-I126 PolarHBondContact O-N 3.08Å; I126-W129 PolarHBondContact O-N 3.25Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; I126-E130 WeakPolarHBondContact O-CG 3.18Å; I126-E130 PolarHBondContact O-N 2.78Å |
| 127 | L | 94 | Very high | 88.8 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.8 | -68.1 | 172.4 | 0 | 0 | 0 | 111.4 | V123 E124 W129 E130 E131 | V123-L127 HydrophobicContact CG1-CD1 4.35Å; V123-L127 WeakPolarHBondContact O-CG 3.3Å; V123-L127 PolarHBondContact O-N 3.34Å; V123-L127 VanDerWaalsContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 3.13Å; E124-L127 VanDerWaalsContact O-N 3.07Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.16Å; L127-E130 PolarHBondContact O-N 3.06Å; L127-E131 PolarHBondContact O-N 2.96Å |
| 128 | E | 93.1 | Very high | 87.4 | Confident | 123 Ų | 123 | 80.5 Ų | 80.5 | 58% | 0.575 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 174.7 | -70.7 | -179.9 | 178.6 | 0 | 0 | 111.7 | E124 E130 E131 L132 | E124-E128 PolarHBondContact O-N 3.31Å; E128-E130 PolarHBondContact O-N 3.28Å; E128-E131 PolarHBondContact O-N 3.37Å; E128-L132 WeakPolarHBondContact O-CB 3.27Å; E128-L132 WeakPolarHBondContact O-CG 3.19Å; E128-L132 PolarHBondContact O-N 2.9Å |
| 129 | W | 91.8 | Very high | 86.2 | Confident | 51 Ų | 51 | 79.4 Ų | 79.4 | 19% | 0.193 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 176 | -175.9 | 99.4 | 0 | 0 | 0 | 112.2 | L98 L100 V107 A125 I126 L127 R133 | L98-W129 HydrophobicContact CD2-CB 3.79Å; L98-W129 HydrophobicContact CD2-CG 4.08Å; L100-W129 HydrophobicContact CB-CZ2 3.9Å; L100-W129 HydrophobicContact CD1-CD2 4.03Å; L100-W129 HydrophobicContact CD1-CE3 4.35Å; L100-W129 HydrophobicContact CD1-CH2 4.19Å; L100-W129 HydrophobicContact CD1-CZ2 3.82Å; L100-W129 HydrophobicContact CD1-CZ3 4.47Å; L100-W129 HydrophobicContact CG-CZ2 4.49Å; V107-W129 HydrophobicContact CB-CZ3 4.43Å; V107-W129 HydrophobicContact CG1-CE3 4.35Å; V107-W129 HydrophobicContact CG1-CZ3 4.19Å; V107-W129 HydrophobicContact CG2-CE3 4.28Å; V107-W129 HydrophobicContact CG2-CH2 3.72Å; V107-W129 HydrophobicContact CG2-CZ3 3.39Å; A125-W129 VanDerWaalsContact O-CB 3.27Å; A125-W129 WeakPolarHBondContact O-CB 3.46Å; A125-W129 PolarHBondContact O-N 3.48Å; I126-W129 PolarHBondContact O-N 3.25Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.16Å; W129-R133 HydrophobicContact CD2-CG 4.39Å; W129-R133 HydrophobicContact CE3-CG 4.46Å; W129-R133 VanDerWaalsContact CZ2-CD 3.4Å; W129-R133 VanDerWaalsContact CZ3-CD 3.45Å; W129-R133 WeakPolarHBondContact O-CB 3.49Å; W129-R133 VanDerWaalsContact O-CG 3.29Å; W129-R133 WeakPolarHBondContact O-CG 3.32Å; W129-R133 PolarHBondContact O-N 3.36Å |
| 130 | E | 88.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 174 | -73.6 | -175.3 | 125.9 | 0 | 0 | 111.3 | V107 R111 I126 L127 E128 A134 | V107-E130 HydrophobicContact CG1-CG 3.71Å; V107-E130 WeakPolarHBondContact CG1-OE1 3.29Å; R111-E130 IonicContact NH1-OE1 3.32Å; R111-E130 IonicContact NH1-OE2 3.05Å; R111-E130 PolarHBondContact NH1-OE2 2.9Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; I126-E130 WeakPolarHBondContact O-CG 3.18Å; I126-E130 PolarHBondContact O-N 2.78Å; L127-E130 PolarHBondContact O-N 3.06Å; E128-E130 PolarHBondContact O-N 3.28Å; E130-A134 PolarHBondContact O-N 3.29Å |
| 131 | E | 85.8 | Confident | 85 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.5 | -48.3 | 179.4 | -174.6 | 168.9 | -159.9 | 0 | 0 | 112.4 | L127 E128 R133 A134 V135 | L127-E131 PolarHBondContact O-N 2.96Å; E128-E131 PolarHBondContact O-N 3.37Å; E131-R133 PolarHBondContact O-N 2.98Å; E131-A134 WeakPolarHBondContact O-CA 3.23Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.45Å; E131-V135 WeakPolarHBondContact O-CG2 3.46Å; E131-V135 PolarHBondContact O-N 2.92Å |
| 132 | L | 85.4 | Confident | 84.5 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.2 | -39.7 | 176.8 | -73.9 | 171.3 | 0 | 0 | 0 | 111.7 | E128 A134 V135 Q136 | E128-L132 WeakPolarHBondContact O-CB 3.27Å; E128-L132 WeakPolarHBondContact O-CG 3.19Å; E128-L132 PolarHBondContact O-N 2.9Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-V135 PolarHBondContact O-N 3.19Å; L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 3.18Å |
| 133 | R | 79.6 | Confident | 84 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 28% | 0.275 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.6 | -24.4 | 176.6 | -69.6 | -170.1 | 74.7 | 144.2 | 6.3 | 113.4 | D102 W129 E131 R137 | D102-R133 VanDerWaalsContact O-CZ 3.25Å; D102-R133 PolarHBondContact O-NH1 3.34Å; D102-R133 PolarHBondContact O-NH2 3Å; W129-R133 HydrophobicContact CD2-CG 4.39Å; W129-R133 HydrophobicContact CE3-CG 4.46Å; W129-R133 VanDerWaalsContact CZ2-CD 3.4Å; W129-R133 VanDerWaalsContact CZ3-CD 3.45Å; W129-R133 WeakPolarHBondContact O-CB 3.49Å; W129-R133 VanDerWaalsContact O-CG 3.29Å; W129-R133 WeakPolarHBondContact O-CG 3.32Å; W129-R133 PolarHBondContact O-N 3.36Å; E131-R133 PolarHBondContact O-N 2.98Å; R133-R137 WeakPolarHBondContact O-CG 3.48Å |
| 134 | A | 72.4 | Confident | 83.3 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E130 E131 L132 R137 | E130-A134 PolarHBondContact O-N 3.29Å; E131-A134 WeakPolarHBondContact O-CA 3.23Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.45Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-R137 PolarHBondContact O-N 3.43Å |
| 135 | V | 70.8 | Confident | 82.6 | Confident | 116 Ų | 116 | 76 Ų | 76 | 70% | 0.703 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.4 | -34.5 | 179 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | E131 L132 R137 | E131-V135 WeakPolarHBondContact O-CG2 3.46Å; E131-V135 PolarHBondContact O-N 2.92Å; L132-V135 PolarHBondContact O-N 3.19Å; V135-R137 VanDerWaalsContact C-N 3.28Å; V135-R137 PolarHBondContact O-N 2.78Å |
| 136 | Q | 66.3 | Low | 81.7 | Confident | 157 Ų | 157 | 76.1 Ų | 76.1 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.7 | 177.7 | -73.1 | 179.2 | 0.4 | 0 | 0 | 114.2 | L132 E138 | L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 3.18Å; Q136-E138 PolarHBondContact O-N 3.36Å |
| 137 | R | 67.4 | Low | 80.4 | Confident | 165 Ų | 165 | 80.2 Ų | 80.2 | 62% | 0.623 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -76.2 | 126.6 | 175.7 | -81.2 | 170.8 | 171.7 | 165.8 | -0.2 | 108.8 | R133 A134 V135 | R133-R137 WeakPolarHBondContact O-CG 3.48Å; A134-R137 PolarHBondContact O-N 3.43Å; V135-R137 VanDerWaalsContact C-N 3.28Å; V135-R137 PolarHBondContact O-N 2.78Å |
| 138 | E | 66.8 | Low | 78.9 | Confident | 175 Ų | 175 | 86.8 Ų | 86.8 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 143.7 | 164.7 | -71.4 | -165.3 | 165.8 | 0 | 0 | 109.4 | Q136 A140 | Q136-E138 PolarHBondContact O-N 3.36Å; E138-A140 PolarHBondContact O-N 3.19Å |
| 139 | P | 73 | Confident | 77.6 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 129.5 | 179.8 | 21.5 | -32.2 | 0 | 0 | 0 | 109.7 | F141 V255 K256 | P139-F141 PolarHBondContact O-N 3.46Å; P139-V255 HydrophobicContact CB-CG2 3.93Å; P139-K256 CarbonylContact C-O 3.47Å; P139-K256 WeakPolarHBondContact CA-O 3.38Å |
| 140 | A | 81.6 | Confident | 76.2 | Confident | 11 Ų | 11 | 88.6 Ų | 88.6 | 9% | 0.091 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 127 | -177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E138 S157 D158 F233 V255 K256 | E138-A140 PolarHBondContact O-N 3.19Å; A140-S157 VanDerWaalsContact CA-OG 3.32Å; A140-S157 WeakPolarHBondContact CA-OG 3.42Å; A140-D158 HydrophobicContact CB-CB 3.88Å; A140-F233 HydrophobicContact CB-CE1 3.76Å; A140-F233 HydrophobicContact CB-CZ 3.74Å; A140-F233 WeakPolarHBondContact O-CE1 3.43Å; A140-V255 CarbonylContact O-C 3.55Å; A140-V255 WeakPolarHBondContact O-CA 3.36Å; A140-K256 HydrophobicContact CB-CB 4.26Å; A140-K256 PolarHBondContact N-O 2.84Å; A140-K256 PolarHBondContact O-N 2.77Å |
| 141 | F | 85.8 | Confident | 75.3 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.3 | 175.2 | -179.3 | -102.4 | 0 | 0 | 0 | 109.2 | P139 E143 Y155 C156 S157 H253 | P139-F141 PolarHBondContact O-N 3.46Å; F141-E143 HydrophobicContact CD1-CB 4.47Å; F141-E143 HydrophobicContact CE1-CB 3.73Å; F141-E143 HydrophobicContact CZ-CB 4.28Å; F141-Y155 HydrophobicContact CD1-CD1 4.19Å; F141-Y155 HydrophobicContact CD1-CE1 4.07Å; F141-C156 CarbonylContact O-C 3.47Å; F141-C156 WeakPolarHBondContact O-CA 3.34Å; F141-S157 PolarHBondContact N-OG 3.1Å; F141-S157 PolarHBondContact O-N 3.27Å; F141-H253 HydrophobicContact CE2-CB 4.07Å; F141-H253 HydrophobicContact CZ-CB 4.22Å; F141-H253 AromaticContact CZ-CD2 3.49Å; F141-H253 VanDerWaalsContact CZ-CD2 3.49Å; F141-H253 WeakPolarHBondContact CZ-CD2 3.4Å |
| 142 | L | 86.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.3 | 175.6 | 162.7 | 73.9 | 0 | 0 | 0 | 109.1 | V144 V154 Y155 C156 F161 A228 F233 H253 F254 | L142-V144 HydrophobicContact CD1-CG2 4.17Å; L142-V144 HydrophobicContact CG-CG2 4.35Å; L142-V154 HydrophobicContact CD1-CG1 3.66Å; L142-Y155 CarbonylContact C-O 3.46Å; L142-Y155 VanDerWaalsContact CA-O 3.32Å; L142-Y155 WeakPolarHBondContact CA-O 3.49Å; L142-Y155 VanDerWaalsContact CD1-O 3.22Å; L142-Y155 WeakPolarHBondContact CD1-O 3.25Å; L142-C156 HydrophobicContact CD1-CB 4.09Å; L142-F161 HydrophobicContact CD1-CD1 4.1Å; L142-F161 HydrophobicContact CD1-CE1 3.59Å; L142-F161 HydrophobicContact CD1-CZ 4.47Å; L142-F161 HydrophobicContact CD2-CE1 3.86Å; L142-F161 HydrophobicContact CD2-CZ 3.97Å; L142-F161 HydrophobicContact CG-CE1 4.37Å; L142-A228 HydrophobicContact CD2-CB 3.31Å; L142-F233 HydrophobicContact CB-CD1 3.82Å; L142-F233 HydrophobicContact CB-CE1 3.66Å; L142-F233 HydrophobicContact CB-CZ 4.38Å; L142-F233 HydrophobicContact CD2-CD1 4.33Å; L142-F233 HydrophobicContact CD2-CG 4.39Å; L142-H253 CarbonylContact O-C 3.54Å; L142-H253 WeakPolarHBondContact O-CA 3.39Å; L142-F254 HydrophobicContact CB-CB 4.12Å; L142-F254 HydrophobicContact CB-CD2 4.48Å; L142-F254 HydrophobicContact CD2-CB 4.17Å; L142-F254 HydrophobicContact CD2-CD2 3.73Å; L142-F254 HydrophobicContact CD2-CE2 4.37Å; L142-F254 HydrophobicContact CD2-CG 4.01Å; L142-F254 HydrophobicContact CG-CB 4.42Å; L142-F254 HydrophobicContact CG-CD2 3.93Å; L142-F254 HydrophobicContact CG-CG 4.47Å; L142-F254 PolarHBondContact N-O 3.48Å; L142-F254 PolarHBondContact O-N 3.47Å |
| 143 | E | 86.9 | Confident | 74.6 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.1 | 177.1 | 177.4 | 179.3 | -172.8 | 0 | 0 | 109.5 | F141 T145 V154 Y155 L252 H253 | F141-E143 HydrophobicContact CD1-CB 4.47Å; F141-E143 HydrophobicContact CE1-CB 3.73Å; F141-E143 HydrophobicContact CZ-CB 4.28Å; E143-T145 HydrophobicContact CG-CG2 3.82Å; E143-T145 WeakPolarHBondContact OE1-CG2 3.42Å; E143-V154 CarbonylContact O-C 3.59Å; E143-V154 WeakPolarHBondContact O-CA 3.48Å; E143-Y155 HydrophobicContact CB-CD1 4.42Å; E143-Y155 PolarHBondContact N-O 2.87Å; E143-Y155 PolarHBondContact O-N 3.03Å; E143-L252 CarbonylContact C-O 3.42Å; E143-L252 WeakPolarHBondContact CA-O 3.31Å; E143-H253 IonicContact OE1-NE2 2.78Å |
| 144 | V | 84.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.3 | 176.9 | -178 | 0 | 0 | 0 | 0 | 108.1 | L142 F152 K153 V154 K221 T224 A251 L252 F254 | L142-V144 HydrophobicContact CD1-CG2 4.17Å; L142-V144 HydrophobicContact CG-CG2 4.35Å; V144-F152 HydrophobicContact CG1-CD2 4.39Å; V144-F152 HydrophobicContact CG1-CE2 3.34Å; V144-F152 HydrophobicContact CG1-CZ 3.55Å; V144-K153 CarbonylContact C-O 3.56Å; V144-K153 WeakPolarHBondContact CA-O 3.49Å; V144-V154 HydrophobicContact CG1-CG2 4.47Å; V144-V154 HydrophobicContact CG2-CG1 4.39Å; V144-K221 HydrophobicContact CG1-CG 4.19Å; V144-T224 HydrophobicContact CG2-CG2 3.83Å; V144-A251 CarbonylContact O-C 3.53Å; V144-A251 WeakPolarHBondContact O-CA 3.49Å; V144-L252 HydrophobicContact CB-CB 4.31Å; V144-L252 PolarHBondContact N-O 2.74Å; V144-L252 PolarHBondContact O-N 3.39Å; V144-F254 HydrophobicContact CG2-CE2 4.36Å |
| 145 | T | 82.3 | Confident | 75.5 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.08 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.3 | -179.8 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | E143 F152 K153 A251 | E143-T145 HydrophobicContact CG-CG2 3.82Å; E143-T145 WeakPolarHBondContact OE1-CG2 3.42Å; T145-F152 WeakPolarHBondContact O-CA 3.41Å; T145-F152 WeakPolarHBondContact O-CD2 3.46Å; T145-K153 PolarHBondContact N-O 3.1Å; T145-K153 PolarHBondContact O-N 3.33Å; T145-A251 HydrophobicContact CG2-CB 3.97Å |
| 146 | D | 76.1 | Confident | 76.2 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 92.7 | 169.4 | 168.1 | 14 | 0 | 0 | 0 | 108.2 | K198 L217 E250 | D146-K198 IonicContact OD1-NZ 3Å; D146-K198 PolarHBondContact OD1-NZ 3.38Å; D146-K198 IonicContact OD2-NZ 3.67Å; D146-K198 PolarHBondContact OD2-NZ 2.66Å; D146-L217 WeakPolarHBondContact OD1-CD2 3.28Å; D146-L217 VanDerWaalsContact OD2-CD2 3.31Å; D146-L217 WeakPolarHBondContact OD2-CD2 3.31Å; D146-E250 PolarHBondContact N-O 3.38Å |
| 147 | E | 69.6 | Low | 77 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.9 | 178.2 | -70.7 | -172.3 | -177.9 | 0 | 0 | 111.4 | S149 Q150 G151 | E147-S149 PolarHBondContact O-N 2.96Å; E147-S149 VanDerWaalsContact O-N 3.15Å; E147-Q150 HydrophobicContact CB-CB 4.18Å; E147-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 WeakPolarHBondContact OE2-CG 3.09Å; E147-G151 PolarHBondContact N-O 3.24Å; E147-G151 VanDerWaalsContact N-O 3.13Å; E147-G151 WeakPolarHBondContact O-CA 3.26Å; E147-G151 PolarHBondContact O-N 3.04Å |
| 148 | R | 63.4 | Low | 77.7 | Confident | 223 Ų | 223 | 57.7 Ų | 57.7 | 84% | 0.842 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.8 | -178.9 | -65 | -175.8 | -172.9 | -163.1 | -1.1 | 113.6 | ||
| 149 | S | 65 | Low | 78.3 | Confident | 110 Ų | 110 | 52 Ų | 52 | 77% | 0.769 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -25.2 | -177.4 | 47 | 0 | 0 | 0 | 0 | 114.4 | E147 | E147-S149 PolarHBondContact O-N 2.96Å; E147-S149 VanDerWaalsContact O-N 3.15Å |
| 150 | Q | 62.8 | Low | 78.7 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -8.9 | -172.7 | -57.8 | -159.4 | 8.5 | 0 | 0 | 114.1 | E147 Q192 | E147-Q150 HydrophobicContact CB-CB 4.18Å; E147-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 WeakPolarHBondContact OE2-CG 3.09Å; Q150-Q192 PolarHBondContact O-NE2 2.93Å |
| 151 | G | 69.5 | Low | 78.8 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.9 | -162.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E147 | E147-G151 PolarHBondContact N-O 3.24Å; E147-G151 VanDerWaalsContact N-O 3.13Å; E147-G151 WeakPolarHBondContact O-CA 3.26Å; E147-G151 PolarHBondContact O-N 3.04Å |
| 152 | F | 75.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.3 | 174.2 | -171.9 | -114.9 | 0 | 0 | 0 | 110.2 | V144 T145 V154 F193 F196 L217 L220 K221 | V144-F152 HydrophobicContact CG1-CD2 4.39Å; V144-F152 HydrophobicContact CG1-CE2 3.34Å; V144-F152 HydrophobicContact CG1-CZ 3.55Å; T145-F152 WeakPolarHBondContact O-CA 3.41Å; T145-F152 WeakPolarHBondContact O-CD2 3.46Å; F152-V154 HydrophobicContact CD1-CG2 4.1Å; F152-V154 HydrophobicContact CE1-CG2 3.3Å; F152-V154 HydrophobicContact CZ-CG2 3.61Å; F152-F193 HydrophobicContact CB-CB 4.39Å; F152-F193 HydrophobicContact CB-CD2 4.13Å; F152-F193 AromaticContact CD1-CD2 3.58Å; F152-F193 HydrophobicContact CD1-CD2 3.58Å; F152-F193 AromaticContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CE1-CE2 4.11Å; F152-F193 HydrophobicContact CG-CD2 4.36Å; F152-F193 PolarHBondContact O-N 3.45Å; F152-F196 HydrophobicContact CB-CD2 4.31Å; F152-F196 HydrophobicContact CB-CE2 3.36Å; F152-F196 HydrophobicContact CB-CZ 3.84Å; F152-L217 HydrophobicContact CB-CD1 3.41Å; F152-L217 VanDerWaalsContact CB-CD1 3.41Å; F152-L217 HydrophobicContact CD2-CD1 3.46Å; F152-L217 VanDerWaalsContact CD2-CD1 3.46Å; F152-L217 HydrophobicContact CE2-CD1 4.41Å; F152-L217 HydrophobicContact CG-CD1 3.62Å; F152-L220 HydrophobicContact CD1-CD2 3.45Å; F152-L220 VanDerWaalsContact CD1-CD2 3.45Å; F152-L220 HydrophobicContact CD1-CG 4.02Å; F152-L220 HydrophobicContact CE1-CD1 4.47Å; F152-L220 HydrophobicContact CE1-CD2 3.58Å; F152-L220 HydrophobicContact CE1-CG 3.6Å; F152-L220 HydrophobicContact CG-CD2 4.24Å; F152-L220 HydrophobicContact CZ-CD2 4.46Å; F152-L220 HydrophobicContact CZ-CG 4.17Å; F152-K221 HydrophobicContact CE2-CB 3.8Å; F152-K221 HydrophobicContact CE2-CD 4.34Å; F152-K221 HydrophobicContact CE2-CG 4.03Å; F152-K221 HydrophobicContact CZ-CB 4.18Å |
| 153 | K | 80.8 | Confident | 78.2 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.3 | 177.4 | -169.5 | -179.8 | 178.8 | -177 | 0 | 110.3 | V144 T145 V190 I191 | V144-K153 CarbonylContact C-O 3.56Å; V144-K153 WeakPolarHBondContact CA-O 3.49Å; T145-K153 PolarHBondContact N-O 3.1Å; T145-K153 PolarHBondContact O-N 3.33Å; K153-V190 HydrophobicContact CD-CG1 4.19Å; K153-V190 HydrophobicContact CG-CG1 3.71Å; K153-I191 CarbonylContact C-O 3.54Å; K153-I191 WeakPolarHBondContact CA-O 3.23Å |
| 154 | V | 83.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.7 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | L142 E143 V144 F152 F161 I162 V190 I191 T224 | L142-V154 HydrophobicContact CD1-CG1 3.66Å; E143-V154 CarbonylContact O-C 3.59Å; E143-V154 WeakPolarHBondContact O-CA 3.48Å; V144-V154 HydrophobicContact CG1-CG2 4.47Å; V144-V154 HydrophobicContact CG2-CG1 4.39Å; F152-V154 HydrophobicContact CD1-CG2 4.1Å; F152-V154 HydrophobicContact CE1-CG2 3.3Å; F152-V154 HydrophobicContact CZ-CG2 3.61Å; V154-F161 HydrophobicContact CG1-CE1 4.46Å; V154-I162 HydrophobicContact CG1-CD1 4.39Å; V154-V190 CarbonylContact O-C 3.54Å; V154-V190 VanDerWaalsContact O-CA 3.29Å; V154-V190 WeakPolarHBondContact O-CA 3.25Å; V154-I191 HydrophobicContact CB-CB 4.41Å; V154-I191 PolarHBondContact N-O 3.26Å; V154-I191 PolarHBondContact O-N 3.26Å; V154-T224 HydrophobicContact CG1-CG2 3.91Å; V154-T224 HydrophobicContact CG2-CG2 3.88Å |
| 155 | Y | 86.7 | Confident | 77.4 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136 | 171.7 | 170.4 | -99.3 | 0 | 0 | 0 | 109.9 | F141 L142 E143 N189 V190 | F141-Y155 HydrophobicContact CD1-CD1 4.19Å; F141-Y155 HydrophobicContact CD1-CE1 4.07Å; L142-Y155 CarbonylContact C-O 3.46Å; L142-Y155 VanDerWaalsContact CA-O 3.32Å; L142-Y155 WeakPolarHBondContact CA-O 3.49Å; L142-Y155 VanDerWaalsContact CD1-O 3.22Å; L142-Y155 WeakPolarHBondContact CD1-O 3.25Å; E143-Y155 HydrophobicContact CB-CD1 4.42Å; E143-Y155 PolarHBondContact N-O 2.87Å; E143-Y155 PolarHBondContact O-N 3.03Å; Y155-N189 CarbonylContact C-O 3.59Å; Y155-N189 VanDerWaalsContact CA-O 3.29Å; Y155-N189 WeakPolarHBondContact CA-O 3.42Å; Y155-N189 HydrophobicContact CD2-CB 4.07Å; Y155-N189 WeakPolarHBondContact CD2-O 3.21Å; Y155-N189 HydrophobicContact CE2-CB 3.74Å; Y155-V190 HydrophobicContact CD2-CG2 3.73Å |
| 156 | C | 85.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 133.6 | 171.6 | -171.9 | 0 | 0 | 0 | 0 | 110 | F141 L142 D158 F161 I162 N189 | F141-C156 CarbonylContact O-C 3.47Å; F141-C156 WeakPolarHBondContact O-CA 3.34Å; L142-C156 HydrophobicContact CD1-CB 4.09Å; C156-D158 PolarHBondContact O-N 3.42Å; C156-D158 PolarHBondContact SG-N 2.96Å; C156-D158 VanDerWaalsContact SG-N 3.4Å; C156-D158 PolarHBondContact SG-O 3.2Å; C156-D158 VanDerWaalsContact SG-O 3.39Å; C156-F161 HydrophobicContact CB-CB 4.42Å; C156-F161 HydrophobicContact CB-CD1 3.83Å; C156-I162 HydrophobicContact CB-CD1 3.79Å; C156-I162 HydrophobicContact CB-CG1 3.98Å; C156-N189 PolarHBondContact N-O 3.13Å; C156-N189 WeakPolarHBondContact O-CB 3.37Å |
| 157 | S | 84.3 | Confident | 76.8 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.1 | -16.5 | 173.5 | 66 | 0 | 0 | 0 | 0 | 113.1 | A140 F141 P159 | A140-S157 VanDerWaalsContact CA-OG 3.32Å; A140-S157 WeakPolarHBondContact CA-OG 3.42Å; F141-S157 PolarHBondContact N-OG 3.1Å; F141-S157 PolarHBondContact O-N 3.27Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å |
| 158 | D | 81.8 | Confident | 76.9 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | trans | -93.2 | 105.8 | 168.7 | 177.1 | 5.8 | 0 | 0 | 0 | 110.6 | A140 C156 S160 F161 | A140-D158 HydrophobicContact CB-CB 3.88Å; C156-D158 PolarHBondContact O-N 3.42Å; C156-D158 PolarHBondContact SG-N 2.96Å; C156-D158 VanDerWaalsContact SG-N 3.4Å; C156-D158 PolarHBondContact SG-O 3.2Å; C156-D158 VanDerWaalsContact SG-O 3.39Å; D158-S160 PolarHBondContact O-N 3.29Å; D158-S160 VanDerWaalsContact OD1-CB 3.25Å; D158-S160 WeakPolarHBondContact OD1-CB 3.29Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 PolarHBondContact OD1-OG 3.35Å; D158-S160 PolarHBondContact OD2-OG 3.06Å; D158-F161 HydrophobicContact CB-CB 4.46Å; D158-F161 WeakPolarHBondContact O-CB 3.4Å; D158-F161 PolarHBondContact O-N 3.19Å; D158-F161 VanDerWaalsContact O-N 3.12Å | ||
| 159 | P | 78.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -27.2 | 179.6 | -23.1 | 35.2 | 0 | 0 | 0 | 113.2 | S157 F161 I162 D163 S188 | S157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-F161 PolarHBondContact O-N 3.36Å; P159-I162 WeakPolarHBondContact O-CB 3.21Å; P159-I162 PolarHBondContact O-N 2.99Å; P159-I162 VanDerWaalsContact O-N 3.1Å; P159-D163 PolarHBondContact O-N 3.44Å; P159-S188 WeakPolarHBondContact CA-O 3.29Å; P159-S188 WeakPolarHBondContact CB-O 3.5Å |
| 160 | S | 81.1 | Confident | 77.3 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -26.9 | 179.3 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | D158 K164 | D158-S160 PolarHBondContact O-N 3.29Å; D158-S160 VanDerWaalsContact OD1-CB 3.25Å; D158-S160 WeakPolarHBondContact OD1-CB 3.29Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 PolarHBondContact OD1-OG 3.35Å; D158-S160 PolarHBondContact OD2-OG 3.06Å; S160-K164 WeakPolarHBondContact O-CG 3.47Å; S160-K164 PolarHBondContact O-N 3.46Å |
| 161 | F | 83.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -42.1 | 171.6 | -177.4 | -100.3 | 0 | 0 | 0 | 111.4 | L142 V154 C156 D158 P159 D163 K164 V165 L227 A228 A231 F233 | L142-F161 HydrophobicContact CD1-CD1 4.1Å; L142-F161 HydrophobicContact CD1-CE1 3.59Å; L142-F161 HydrophobicContact CD1-CZ 4.47Å; L142-F161 HydrophobicContact CD2-CE1 3.86Å; L142-F161 HydrophobicContact CD2-CZ 3.97Å; L142-F161 HydrophobicContact CG-CE1 4.37Å; V154-F161 HydrophobicContact CG1-CE1 4.46Å; C156-F161 HydrophobicContact CB-CB 4.42Å; C156-F161 HydrophobicContact CB-CD1 3.83Å; D158-F161 HydrophobicContact CB-CB 4.46Å; D158-F161 WeakPolarHBondContact O-CB 3.4Å; D158-F161 PolarHBondContact O-N 3.19Å; D158-F161 VanDerWaalsContact O-N 3.12Å; P159-F161 PolarHBondContact O-N 3.36Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 3.47Å; F161-K164 WeakPolarHBondContact O-CB 3.47Å; F161-K164 PolarHBondContact O-N 2.89Å; F161-K164 VanDerWaalsContact O-N 3.09Å; F161-V165 HydrophobicContact CD1-CG2 3.98Å; F161-V165 HydrophobicContact CE1-CG2 3.52Å; F161-V165 HydrophobicContact CE2-CG2 4.35Å; F161-V165 HydrophobicContact CZ-CG2 3.73Å; F161-V165 WeakPolarHBondContact O-CG2 3.5Å; F161-V165 PolarHBondContact O-N 3.17Å; F161-L227 HydrophobicContact CE2-CB 4.22Å; F161-L227 HydrophobicContact CZ-CB 4.29Å; F161-A228 HydrophobicContact CE2-CB 4.38Å; F161-A228 HydrophobicContact CZ-CB 4.03Å; F161-A231 HydrophobicContact CD2-CB 3.97Å; F161-A231 HydrophobicContact CE2-CB 4Å; F161-F233 AromaticContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CE2-CE2 4.37Å; F161-F233 HydrophobicContact CG-CE2 4.21Å |
| 162 | I | 82.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 175.2 | -64.5 | -59.7 | 0 | 0 | 0 | 110.9 | V154 C156 P159 K164 V165 K166 V186 N189 I191 | V154-I162 HydrophobicContact CG1-CD1 4.39Å; C156-I162 HydrophobicContact CB-CD1 3.79Å; C156-I162 HydrophobicContact CB-CG1 3.98Å; P159-I162 WeakPolarHBondContact O-CB 3.21Å; P159-I162 PolarHBondContact O-N 2.99Å; P159-I162 VanDerWaalsContact O-N 3.1Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.25Å; I162-V165 PolarHBondContact O-N 2.97Å; I162-K166 WeakPolarHBondContact O-CB 3.47Å; I162-K166 PolarHBondContact O-N 3.05Å; I162-V186 HydrophobicContact CG2-CG1 3.85Å; I162-N189 WeakPolarHBondContact CD1-O 3.45Å; I162-I191 HydrophobicContact CD1-CG1 4.34Å; I162-I191 HydrophobicContact CG2-CD1 4.11Å; I162-I191 HydrophobicContact CG2-CG1 3.85Å |
| 163 | D | 77.7 | Confident | 75.9 | Confident | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -38 | 174.8 | -77.6 | -29.1 | 0 | 0 | 0 | 112.7 | P159 F161 G167 | P159-D163 PolarHBondContact O-N 3.44Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 3.47Å; D163-G167 PolarHBondContact O-N 3.23Å |
| 164 | K | 78.3 | Confident | 74.4 | Confident | 117 Ų | 117 | 53.2 Ų | 53.2 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 174.6 | -72.8 | 170.3 | -174.5 | 172.3 | 0 | 111.8 | S160 F161 I162 G167 R168 | S160-K164 WeakPolarHBondContact O-CG 3.47Å; S160-K164 PolarHBondContact O-N 3.46Å; F161-K164 WeakPolarHBondContact O-CB 3.47Å; F161-K164 PolarHBondContact O-N 2.89Å; F161-K164 VanDerWaalsContact O-N 3.09Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.25Å; K164-G167 PolarHBondContact O-N 3.45Å; K164-R168 VanDerWaalsContact O-CB 3.32Å; K164-R168 WeakPolarHBondContact O-CB 3.37Å; K164-R168 PolarHBondContact O-N 3.42Å |
| 165 | V | 76.7 | Confident | 72.9 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | F161 I162 G167 R168 L169 I191 L227 | F161-V165 HydrophobicContact CD1-CG2 3.98Å; F161-V165 HydrophobicContact CE1-CG2 3.52Å; F161-V165 HydrophobicContact CE2-CG2 4.35Å; F161-V165 HydrophobicContact CZ-CG2 3.73Å; F161-V165 WeakPolarHBondContact O-CG2 3.5Å; F161-V165 PolarHBondContact O-N 3.17Å; I162-V165 PolarHBondContact O-N 2.97Å; V165-G167 PolarHBondContact O-N 2.82Å; V165-R168 PolarHBondContact O-N 3.4Å; V165-L169 HydrophobicContact CG1-CD1 3.9Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.42Å; V165-I191 HydrophobicContact CB-CD1 3.63Å; V165-I191 HydrophobicContact CG1-CD1 3.44Å; V165-I191 VanDerWaalsContact CG1-CD1 3.44Å; V165-L227 HydrophobicContact CG2-CD1 4.14Å |
| 166 | K | 75.1 | Confident | 71.2 | Confident | 90 Ų | 90 | 62 Ų | 62 | 39% | 0.391 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 173.9 | 180 | -175 | -179.9 | 177.1 | 0 | 111.8 | I162 R168 L169 V170 V186 | I162-K166 WeakPolarHBondContact O-CB 3.47Å; I162-K166 PolarHBondContact O-N 3.05Å; K166-R168 VanDerWaalsContact C-N 3.31Å; K166-R168 PolarHBondContact O-N 3.41Å; K166-L169 WeakPolarHBondContact O-CB 3.23Å; K166-L169 PolarHBondContact O-N 3.29Å; K166-V170 WeakPolarHBondContact O-CB 3.3Å; K166-V170 VanDerWaalsContact O-CG2 3.28Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 3.19Å; K166-V186 HydrophobicContact CD-CG1 4.26Å; K166-V186 HydrophobicContact CD-CG2 4.44Å |
| 167 | G | 70.7 | Confident | 69.3 | Low | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D163 K164 V165 V170 Q171 | D163-G167 PolarHBondContact O-N 3.23Å; K164-G167 PolarHBondContact O-N 3.45Å; V165-G167 PolarHBondContact O-N 2.82Å; G167-V170 PolarHBondContact O-N 3.39Å; G167-Q171 WeakPolarHBondContact O-CG 3.35Å; G167-Q171 PolarHBondContact O-N 3Å |
| 168 | R | 71.8 | Confident | 67.3 | Low | 95 Ų | 95 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.1 | -176.6 | 56.7 | 175 | 156.5 | 5.4 | 112 | K164 V165 K166 V170 Q171 I172 E223 L227 | K164-R168 VanDerWaalsContact O-CB 3.32Å; K164-R168 WeakPolarHBondContact O-CB 3.37Å; K164-R168 PolarHBondContact O-N 3.42Å; V165-R168 PolarHBondContact O-N 3.4Å; K166-R168 VanDerWaalsContact C-N 3.31Å; K166-R168 PolarHBondContact O-N 3.41Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.35Å; R168-Q171 PolarHBondContact O-N 3.03Å; R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.4Å; R168-E223 HydrophobicContact CG-CG 4.48Å; R168-E223 IonicContact CZ-OE1 3.08Å; R168-E223 IonicContact NE-OE1 3.99Å; R168-E223 PolarHBondContact NE-OE1 3.25Å; R168-E223 IonicContact NH2-OE1 2.78Å; R168-E223 PolarHBondContact NH2-OE1 3.15Å; R168-L227 HydrophobicContact CB-CD1 4.15Å; R168-L227 HydrophobicContact CG-CD1 4.08Å |
| 169 | L | 69.8 | Low | 65.7 | Low | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.6 | -75.8 | 169.9 | 0 | 0 | 0 | 111.7 | V165 K166 Q171 I172 S173 F180 I191 F193 L220 | V165-L169 HydrophobicContact CG1-CD1 3.9Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.42Å; K166-L169 WeakPolarHBondContact O-CB 3.23Å; K166-L169 PolarHBondContact O-N 3.29Å; L169-Q171 PolarHBondContact O-N 3.48Å; L169-I172 PolarHBondContact O-N 2.74Å; L169-S173 WeakPolarHBondContact O-CB 3.32Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 2.95Å; L169-F180 HydrophobicContact CB-CE1 4.18Å; L169-F180 HydrophobicContact CB-CZ 3.9Å; L169-I191 HydrophobicContact CD1-CD1 4.37Å; L169-I191 HydrophobicContact CD1-CG2 4.41Å; L169-F193 HydrophobicContact CD1-CZ 3.77Å; L169-F193 HydrophobicContact CD2-CZ 4.29Å; L169-L220 HydrophobicContact CD2-CD1 3.28Å; L169-L220 HydrophobicContact CG-CD1 4.4Å |
| 170 | V | 66 | Low | 64.5 | Low | 39 Ų | 39 | 69.1 Ų | 69.1 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | K166 G167 R168 S173 K174 F180 | K166-V170 WeakPolarHBondContact O-CB 3.3Å; K166-V170 VanDerWaalsContact O-CG2 3.28Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 3.19Å; G167-V170 PolarHBondContact O-N 3.39Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.35Å; V170-S173 WeakPolarHBondContact CA-OG 3.29Å; V170-S173 PolarHBondContact O-N 2.96Å; V170-S173 PolarHBondContact O-OG 3.16Å; V170-K174 HydrophobicContact CG1-CD 3.76Å; V170-K174 VanDerWaalsContact CG1-CE 3.49Å; V170-K174 HydrophobicContact CG1-CG 3.98Å; V170-K174 WeakPolarHBondContact O-CB 3.37Å; V170-K174 VanDerWaalsContact O-CG 3.25Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.13Å; V170-F180 HydrophobicContact CG2-CD1 4.31Å; V170-F180 HydrophobicContact CG2-CE1 4.09Å |
| 171 | Q | 64.4 | Low | 62.9 | Low | 123 Ų | 123 | 72.3 Ų | 72.3 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 175.1 | -76.3 | 177.7 | -12.1 | 0 | 0 | 111.9 | G167 R168 L169 S173 S175 | G167-Q171 WeakPolarHBondContact O-CG 3.35Å; G167-Q171 PolarHBondContact O-N 3Å; R168-Q171 PolarHBondContact O-N 3.03Å; L169-Q171 PolarHBondContact O-N 3.48Å; Q171-S173 VanDerWaalsContact C-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.32Å; Q171-S175 PolarHBondContact O-N 3.24Å |
| 172 | I | 59.8 | Low | 61.7 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 28% | 0.282 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.1 | -65.6 | 165.7 | 0 | 0 | 0 | 109.7 | R168 L169 S175 E223 | R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.4Å; L169-I172 PolarHBondContact O-N 2.74Å; I172-S175 PolarHBondContact O-OG 2.8Å; I172-E223 HydrophobicContact CD1-CG 4.42Å |
| 173 | S | 54 | Low | 60.6 | Low | 17 Ų | 17 | 82 Ų | 82 | 12% | 0.119 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -79.5 | -38.3 | -177.8 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | L169 V170 Q171 S175 R176 L177 F180 | L169-S173 WeakPolarHBondContact O-CB 3.32Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 2.95Å; V170-S173 WeakPolarHBondContact CA-OG 3.29Å; V170-S173 PolarHBondContact O-N 2.96Å; V170-S173 PolarHBondContact O-OG 3.16Å; Q171-S173 VanDerWaalsContact C-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.32Å; S173-S175 PolarHBondContact O-N 3.3Å; S173-R176 CarbonylContact O-C 3.58Å; S173-R176 WeakPolarHBondContact O-CA 3.44Å; S173-R176 PolarHBondContact O-N 2.99Å; S173-L177 PolarHBondContact O-N 3Å; S173-F180 WeakPolarHBondContact OG-CD1 3.49Å |
| 174 | K | 50.9 | Low | 60 | Low | 174 Ų | 174 | 78.4 Ų | 78.4 | 76% | 0.757 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60 | -26.3 | 172.4 | -79.7 | -178.4 | 176.6 | -177.1 | 0 | 112.6 | V170 R176 | V170-K174 HydrophobicContact CG1-CD 3.76Å; V170-K174 VanDerWaalsContact CG1-CE 3.49Å; V170-K174 HydrophobicContact CG1-CG 3.98Å; V170-K174 WeakPolarHBondContact O-CB 3.37Å; V170-K174 VanDerWaalsContact O-CG 3.25Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.13Å; K174-R176 PolarHBondContact O-N 3.46Å |
| 175 | S | 50.6 | Low | 59.7 | Low | 84 Ų | 84 | 77.1 Ų | 77.1 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.1 | 171.4 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | Q171 I172 S173 | Q171-S175 PolarHBondContact O-N 3.24Å; I172-S175 PolarHBondContact O-OG 2.8Å; S173-S175 PolarHBondContact O-N 3.3Å |
| 176 | R | 52.2 | Low | 59.4 | Low | 176 Ų | 176 | 79.4 Ų | 79.4 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.4 | -7.3 | -162.3 | -69.6 | -174.7 | -167 | -153.9 | -1.5 | 119.9 | S173 K174 | S173-R176 CarbonylContact O-C 3.58Å; S173-R176 WeakPolarHBondContact O-CA 3.44Å; S173-R176 PolarHBondContact O-N 2.99Å; K174-R176 PolarHBondContact O-N 3.46Å |
| 177 | L | 44.4 | Very low | 59.7 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | trans | -179.5 | 145.8 | 173.6 | -104.5 | 161.7 | 0 | 0 | 0 | 116.1 | S173 G179 K208 T212 V214 | S173-L177 PolarHBondContact O-N 3Å; L177-G179 PolarHBondContact O-N 3.02Å; L177-K208 HydrophobicContact CD1-CD 4.2Å; L177-K208 HydrophobicContact CD2-CD 3.98Å; L177-T212 HydrophobicContact CD1-CG2 4.49Å; L177-T212 WeakPolarHBondContact CD1-OG1 3.27Å; L177-T212 HydrophobicContact CD2-CG2 4.43Å; L177-T212 VanDerWaalsContact CD2-OG1 3.29Å; L177-T212 WeakPolarHBondContact CD2-OG1 3.41Å; L177-T212 HydrophobicContact CG-CG2 4.12Å; L177-T212 WeakPolarHBondContact CG-OG1 3.46Å; L177-V214 HydrophobicContact CD1-CG2 3.81Å | ||
| 178 | D | 44 | Very low | 60 | Low | 176 Ų | 176 | 81.2 Ų | 81.2 | 94% | 0.941 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -85 | 8.4 | -177.4 | -68.4 | -37 | 0 | 0 | 0 | 116.6 | ||
| 179 | G | 47.3 | Very low | 60.6 | Low | 26 Ų | 26 | 79 Ų | 79 | 27% | 0.268 | 42% | 0.42 | S | S | . | . | trans | -118.5 | 23.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | L177 | L177-G179 PolarHBondContact O-N 3.02Š| ||
| 180 | F | 52.6 | Low | 61.2 | Low | 40 Ų | 40 | 79.4 Ų | 79.4 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -68.5 | -25 | -167.7 | -155.6 | -129.4 | 0 | 0 | 0 | 118.1 | L169 V170 S173 E182 F184 | L169-F180 HydrophobicContact CB-CE1 4.18Å; L169-F180 HydrophobicContact CB-CZ 3.9Å; V170-F180 HydrophobicContact CG2-CD1 4.31Å; V170-F180 HydrophobicContact CG2-CE1 4.09Å; S173-F180 WeakPolarHBondContact OG-CD1 3.49Å; F180-E182 VanDerWaalsContact C-N 3.26Å; F180-E182 PolarHBondContact O-N 3.29Å; F180-E182 VanDerWaalsContact O-N 3.16Å; F180-F184 AromaticContact CD1-CE1 3.27Å; F180-F184 HydrophobicContact CD1-CE1 3.27Å; F180-F184 AromaticContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD1-CZ 3.42Å; F180-F184 VanDerWaalsContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD2-CD1 4.36Å; F180-F184 AromaticContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CE1-CD1 4.17Å; F180-F184 AromaticContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE2 4.12Å; F180-F184 AromaticContact CE1-CZ 2.98Å; F180-F184 HydrophobicContact CE1-CZ 2.98Å; F180-F184 AromaticContact CE2-CD1 3.92Å; F180-F184 HydrophobicContact CE2-CD1 3.92Å; F180-F184 AromaticContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CE1 3.41Å; F180-F184 VanDerWaalsContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CZ 4.23Å; F180-F184 AromaticContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CZ 4.21Å; F180-F184 AromaticContact CZ-CD1 3.79Å; F180-F184 HydrophobicContact CZ-CD1 3.79Å; F180-F184 AromaticContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE2 4.39Å; F180-F184 AromaticContact CZ-CZ 3.42Å; F180-F184 HydrophobicContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact O-CE1 3.24Å; F180-F184 WeakPolarHBondContact O-CE1 3.4Å |
| 181 | P | 49.3 | Very low | 61.8 | Low | 114 Ų | 114 | 77.6 Ų | 77.6 | 74% | 0.74 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -67.2 | -16.5 | -173.4 | -19.8 | 31.3 | 0 | 0 | 0 | 116.1 | ||
| 182 | E | 56.3 | Low | 62.5 | Low | 156 Ų | 156 | 74.5 Ų | 74.5 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -95.7 | -14.1 | -173.8 | -64.3 | -174.5 | 173.7 | 0 | 0 | 114.1 | F180 | F180-E182 VanDerWaalsContact C-N 3.26Å; F180-E182 PolarHBondContact O-N 3.29Å; F180-E182 VanDerWaalsContact O-N 3.16Å |
| 183 | E | 61.4 | Low | 63.1 | Low | 50 Ų | 50 | 72.7 Ų | 72.7 | 23% | 0.234 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -18.1 | -169.1 | -66.1 | 176 | -159.3 | 0 | 0 | 113.3 | R194 K208 | E183-R194 PolarHBondContact O-N 3.22Å; E183-K208 WeakPolarHBondContact OE1-CE 3.49Å; E183-K208 IonicContact OE1-NZ 3.38Å; E183-K208 PolarHBondContact OE1-NZ 3.21Å |
| 184 | F | 65.1 | Low | 63.3 | Low | 22 Ų | 22 | 78.7 Ų | 78.7 | 10% | 0.096 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 151.7 | 179.4 | 66.8 | -72.5 | 0 | 0 | 0 | 112.3 | F180 V186 I191 Q192 F193 | F180-F184 AromaticContact CD1-CE1 3.27Å; F180-F184 HydrophobicContact CD1-CE1 3.27Å; F180-F184 AromaticContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD1-CZ 3.42Å; F180-F184 VanDerWaalsContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD2-CD1 4.36Å; F180-F184 AromaticContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CE1-CD1 4.17Å; F180-F184 AromaticContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE2 4.12Å; F180-F184 AromaticContact CE1-CZ 2.98Å; F180-F184 HydrophobicContact CE1-CZ 2.98Å; F180-F184 AromaticContact CE2-CD1 3.92Å; F180-F184 HydrophobicContact CE2-CD1 3.92Å; F180-F184 AromaticContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CE1 3.41Å; F180-F184 VanDerWaalsContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CZ 4.23Å; F180-F184 AromaticContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CZ 4.21Å; F180-F184 AromaticContact CZ-CD1 3.79Å; F180-F184 HydrophobicContact CZ-CD1 3.79Å; F180-F184 AromaticContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE2 4.39Å; F180-F184 AromaticContact CZ-CZ 3.42Å; F180-F184 HydrophobicContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact O-CE1 3.24Å; F180-F184 WeakPolarHBondContact O-CE1 3.4Å; F184-V186 HydrophobicContact CD2-CG2 3.52Å; F184-V186 HydrophobicContact CE2-CG2 3.33Å; F184-I191 HydrophobicContact CD2-CG2 3.97Å; F184-Q192 CarbonylContact C-O 3.51Å; F184-Q192 WeakPolarHBondContact CA-O 3.35Å; F184-Q192 VanDerWaalsContact CB-O 3.26Å; F184-Q192 WeakPolarHBondContact CB-O 3.36Å; F184-F193 HydrophobicContact CB-CB 4.23Å; F184-F193 HydrophobicContact CB-CD1 3.61Å; F184-F193 HydrophobicContact CB-CD2 4.25Å; F184-F193 HydrophobicContact CB-CE1 3.94Å; F184-F193 HydrophobicContact CB-CG 3.76Å; F184-F193 HydrophobicContact CB-CZ 4.4Å; F184-F193 HydrophobicContact CD1-CE1 4.29Å; F184-F193 HydrophobicContact CG-CD1 4.25Å; F184-F193 HydrophobicContact CG-CE1 4.1Å; F184-F193 HydrophobicContact CG-CZ 4.45Å |
| 185 | E | 70.9 | Confident | 63.5 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.4 | 171.1 | -62.6 | -176.7 | -153.4 | 0 | 0 | 110.5 | I191 Q192 R194 | E185-I191 WeakPolarHBondContact O-CA 3.49Å; E185-Q192 PolarHBondContact N-O 2.97Å; E185-Q192 PolarHBondContact O-N 2.58Å; E185-R194 HydrophobicContact CG-CG 4.22Å; E185-R194 VanDerWaalsContact CG-NE 3.25Å; E185-R194 IonicContact OE1-CZ 2.79Å; E185-R194 IonicContact OE1-NE 3.69Å; E185-R194 PolarHBondContact OE1-NE 3.14Å; E185-R194 IonicContact OE1-NH2 2.8Å; E185-R194 PolarHBondContact OE1-NH2 3.08Å; E185-R194 IonicContact OE2-NH2 2.84Å |
| 186 | V | 70.9 | Confident | 63.5 | Low | 52 Ų | 52 | 76.4 Ų | 76.4 | 32% | 0.315 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.9 | 170.8 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | I162 K166 F184 V190 I191 | I162-V186 HydrophobicContact CG2-CG1 3.85Å; K166-V186 HydrophobicContact CD-CG1 4.26Å; K166-V186 HydrophobicContact CD-CG2 4.44Å; F184-V186 HydrophobicContact CD2-CG2 3.52Å; F184-V186 HydrophobicContact CE2-CG2 3.33Å; V186-V190 WeakPolarHBondContact CA-O 3.28Å; V186-I191 HydrophobicContact CG1-CG1 4.07Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å; V186-I191 HydrophobicContact CG2-CG2 4.4Å |
| 187 | S | 80.5 | Confident | 62.9 | Low | 68 Ų | 68 | 74.1 Ų | 74.1 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | trans | -110.6 | 178.1 | 164.1 | 70.3 | 0 | 0 | 0 | 0 | 109.6 | N189 V190 | S187-N189 PolarHBondContact O-N 3.37Å; S187-N189 VanDerWaalsContact O-N 3.09Å; S187-V190 PolarHBondContact N-O 3.07Å; S187-V190 PolarHBondContact O-N 3.24Å; S187-V190 WeakPolarHBondContact OG-CB 3.2Å; S187-V190 PolarHBondContact OG-N 3.23Å; S187-V190 PolarHBondContact OG-O 2.9Å | ||
| 188 | S | 77 | Confident | 62.7 | Low | 91 Ų | 91 | 78 Ų | 78 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -52.1 | -35.5 | -177.9 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | P159 | P159-S188 WeakPolarHBondContact CA-O 3.29Å; P159-S188 WeakPolarHBondContact CB-O 3.5Å |
| 189 | N | 84.9 | Confident | 62.4 | Low | 49 Ų | 49 | 73.4 Ų | 73.4 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -122.6 | -4.5 | -171.9 | -65.1 | 29.1 | 0 | 0 | 0 | 113 | Y155 C156 I162 S187 | Y155-N189 CarbonylContact C-O 3.59Å; Y155-N189 VanDerWaalsContact CA-O 3.29Å; Y155-N189 WeakPolarHBondContact CA-O 3.42Å; Y155-N189 HydrophobicContact CD2-CB 4.07Å; Y155-N189 WeakPolarHBondContact CD2-O 3.21Å; Y155-N189 HydrophobicContact CE2-CB 3.74Å; C156-N189 PolarHBondContact N-O 3.13Å; C156-N189 WeakPolarHBondContact O-CB 3.37Å; I162-N189 WeakPolarHBondContact CD1-O 3.45Å; S187-N189 PolarHBondContact O-N 3.37Å; S187-N189 VanDerWaalsContact O-N 3.09Å |
| 190 | V | 82.6 | Confident | 61.9 | Low | 25 Ų | 25 | 80.9 Ų | 80.9 | 15% | 0.152 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.3 | -172.5 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | K153 V154 Y155 V186 S187 Q192 | K153-V190 HydrophobicContact CD-CG1 4.19Å; K153-V190 HydrophobicContact CG-CG1 3.71Å; V154-V190 CarbonylContact O-C 3.54Å; V154-V190 VanDerWaalsContact O-CA 3.29Å; V154-V190 WeakPolarHBondContact O-CA 3.25Å; Y155-V190 HydrophobicContact CD2-CG2 3.73Å; V186-V190 WeakPolarHBondContact CA-O 3.28Å; S187-V190 PolarHBondContact N-O 3.07Å; S187-V190 PolarHBondContact O-N 3.24Å; S187-V190 WeakPolarHBondContact OG-CB 3.2Å; S187-V190 PolarHBondContact OG-N 3.23Å; S187-V190 PolarHBondContact OG-O 2.9Å; V190-Q192 HydrophobicContact CG1-CB 4.2Å |
| 191 | I | 79.6 | Confident | 61.5 | Low | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.5 | 159.2 | -59.1 | 172.2 | 0 | 0 | 0 | 107.2 | K153 V154 I162 V165 L169 F184 E185 V186 F193 | K153-I191 CarbonylContact C-O 3.54Å; K153-I191 WeakPolarHBondContact CA-O 3.23Å; V154-I191 HydrophobicContact CB-CB 4.41Å; V154-I191 PolarHBondContact N-O 3.26Å; V154-I191 PolarHBondContact O-N 3.26Å; I162-I191 HydrophobicContact CD1-CG1 4.34Å; I162-I191 HydrophobicContact CG2-CD1 4.11Å; I162-I191 HydrophobicContact CG2-CG1 3.85Å; V165-I191 HydrophobicContact CB-CD1 3.63Å; V165-I191 HydrophobicContact CG1-CD1 3.44Å; V165-I191 VanDerWaalsContact CG1-CD1 3.44Å; L169-I191 HydrophobicContact CD1-CD1 4.37Å; L169-I191 HydrophobicContact CD1-CG2 4.41Å; F184-I191 HydrophobicContact CD2-CG2 3.97Å; E185-I191 WeakPolarHBondContact O-CA 3.49Å; V186-I191 HydrophobicContact CG1-CG1 4.07Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å; V186-I191 HydrophobicContact CG2-CG2 4.4Å; I191-F193 HydrophobicContact CG2-CD2 4.07Å; I191-F193 HydrophobicContact CG2-CE2 3.44Å; I191-F193 VanDerWaalsContact CG2-CE2 3.44Å; I191-F193 HydrophobicContact CG2-CZ 4.04Å |
| 192 | Q | 77.2 | Confident | 61.2 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 27% | 0.271 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.9 | 178.7 | -179.8 | 174 | -3.8 | 0 | 0 | 110.2 | Q150 F184 E185 V190 | Q150-Q192 PolarHBondContact O-NE2 2.93Å; F184-Q192 CarbonylContact C-O 3.51Å; F184-Q192 WeakPolarHBondContact CA-O 3.35Å; F184-Q192 VanDerWaalsContact CB-O 3.26Å; F184-Q192 WeakPolarHBondContact CB-O 3.36Å; E185-Q192 PolarHBondContact N-O 2.97Å; E185-Q192 PolarHBondContact O-N 2.58Å; V190-Q192 HydrophobicContact CG1-CB 4.2Å |
| 193 | F | 72.5 | Confident | 60.2 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.9 | -179.7 | -70.9 | -103.7 | 0 | 0 | 0 | 109.9 | F152 L169 F184 I191 F196 L220 | F152-F193 HydrophobicContact CB-CB 4.39Å; F152-F193 HydrophobicContact CB-CD2 4.13Å; F152-F193 AromaticContact CD1-CD2 3.58Å; F152-F193 HydrophobicContact CD1-CD2 3.58Å; F152-F193 AromaticContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CE1-CE2 4.11Å; F152-F193 HydrophobicContact CG-CD2 4.36Å; F152-F193 PolarHBondContact O-N 3.45Å; L169-F193 HydrophobicContact CD1-CZ 3.77Å; L169-F193 HydrophobicContact CD2-CZ 4.29Å; F184-F193 HydrophobicContact CB-CB 4.23Å; F184-F193 HydrophobicContact CB-CD1 3.61Å; F184-F193 HydrophobicContact CB-CD2 4.25Å; F184-F193 HydrophobicContact CB-CE1 3.94Å; F184-F193 HydrophobicContact CB-CG 3.76Å; F184-F193 HydrophobicContact CB-CZ 4.4Å; F184-F193 HydrophobicContact CD1-CE1 4.29Å; F184-F193 HydrophobicContact CG-CD1 4.25Å; F184-F193 HydrophobicContact CG-CE1 4.1Å; F184-F193 HydrophobicContact CG-CZ 4.45Å; I191-F193 HydrophobicContact CG2-CD2 4.07Å; I191-F193 HydrophobicContact CG2-CE2 3.44Å; I191-F193 VanDerWaalsContact CG2-CE2 3.44Å; I191-F193 HydrophobicContact CG2-CZ 4.04Å; F193-F196 HydrophobicContact CB-CD2 4.07Å; F193-F196 HydrophobicContact CB-CE2 3.13Å; F193-F196 HydrophobicContact CB-CZ 3.48Å; F193-F196 VanDerWaalsContact CB-CZ 3.48Å; F193-F196 HydrophobicContact CD1-CE2 4.35Å; F193-F196 AromaticContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD2-CZ 4.42Å; F193-F196 AromaticContact CG-CE2 3.81Å; F193-F196 HydrophobicContact CG-CE2 3.81Å; F193-F196 AromaticContact CG-CZ 3.65Å; F193-F196 HydrophobicContact CG-CZ 3.65Å; F193-L220 HydrophobicContact CD1-CD2 4.23Å; F193-L220 HydrophobicContact CD2-CD2 4.18Å; F193-L220 HydrophobicContact CE1-CD2 3.72Å; F193-L220 HydrophobicContact CE2-CD2 3.65Å; F193-L220 HydrophobicContact CG-CD2 4.45Å; F193-L220 HydrophobicContact CZ-CD1 4.1Å; F193-L220 HydrophobicContact CZ-CD2 3.4Å; F193-L220 VanDerWaalsContact CZ-CD2 3.4Å; F193-L220 HydrophobicContact CZ-CG 4.34Å |
| 194 | R | 59.8 | Low | 59.4 | Low | 143 Ų | 143 | 81 Ų | 81 | 54% | 0.54 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -78.7 | -32.6 | -168.6 | -74.3 | -177.3 | 171 | 174.3 | 1 | 113.8 | E183 E185 | E183-R194 PolarHBondContact O-N 3.22Å; E185-R194 HydrophobicContact CG-CG 4.22Å; E185-R194 VanDerWaalsContact CG-NE 3.25Å; E185-R194 IonicContact OE1-CZ 2.79Å; E185-R194 IonicContact OE1-NE 3.69Å; E185-R194 PolarHBondContact OE1-NE 3.14Å; E185-R194 IonicContact OE1-NH2 2.8Å; E185-R194 PolarHBondContact OE1-NH2 3.08Å; E185-R194 IonicContact OE2-NH2 2.84Å |
| 195 | H | 53.5 | Low | 58.1 | Low | 140 Ų | 140 | 84.9 Ų | 84.9 | 65% | 0.648 | 46% | 0.458 | S | S | * | . | trans | -132.9 | 111.4 | -173.8 | -60.2 | 102.7 | 0 | 0 | 0 | 111.2 | ||||
| 196 | F | 52.1 | Low | 56.7 | Low | 69 Ų | 69 | 84.1 Ų | 84.1 | 30% | 0.303 | 46% | 0.459 | S | S | . | . | trans | -125.1 | 121.1 | 160.3 | -69.1 | -76.3 | 0 | 0 | 0 | 109.6 | F152 F193 K198 L217 L220 | F152-F196 HydrophobicContact CB-CD2 4.31Å; F152-F196 HydrophobicContact CB-CE2 3.36Å; F152-F196 HydrophobicContact CB-CZ 3.84Å; F193-F196 HydrophobicContact CB-CD2 4.07Å; F193-F196 HydrophobicContact CB-CE2 3.13Å; F193-F196 HydrophobicContact CB-CZ 3.48Å; F193-F196 VanDerWaalsContact CB-CZ 3.48Å; F193-F196 HydrophobicContact CD1-CE2 4.35Å; F193-F196 AromaticContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD2-CZ 4.42Å; F193-F196 AromaticContact CG-CE2 3.81Å; F193-F196 HydrophobicContact CG-CE2 3.81Å; F193-F196 AromaticContact CG-CZ 3.65Å; F193-F196 HydrophobicContact CG-CZ 3.65Å; F196-K198 PolarHBondContact O-N 2.78Å; F196-L217 HydrophobicContact CE1-CD1 4.47Å; F196-L217 HydrophobicContact CE2-CD1 4.15Å; F196-L217 HydrophobicContact CZ-CD1 4.13Å; F196-L220 HydrophobicContact CZ-CD2 4.21Å | ||
| 197 | I | 40 | Very low | 55 | Low | 128 Ų | 128 | 86.9 Ų | 86.9 | 66% | 0.656 | 47% | 0.472 | S | S | * | . | trans | -82.5 | 103.2 | 165.4 | -55.7 | 178.6 | 0 | 0 | 0 | 106.2 | S199 V206 | I197-S199 PolarHBondContact O-N 3.44Å; I197-V206 HydrophobicContact CD1-CG2 4.17Å; I197-V206 HydrophobicContact CG1-CG2 4.28Å | ||
| 198 | K | 39.2 | Very low | 53.3 | Low | 123 Ų | 123 | 86.3 Ų | 86.3 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | trans | -86.5 | 99.2 | 175 | -153.7 | 169.7 | -167.1 | 161.1 | 0 | 107.3 | D146 F196 | D146-K198 IonicContact OD1-NZ 3Å; D146-K198 PolarHBondContact OD1-NZ 3.38Å; D146-K198 IonicContact OD2-NZ 3.67Å; D146-K198 PolarHBondContact OD2-NZ 2.66Å; F196-K198 PolarHBondContact O-N 2.78Å | ||
| 199 | S | 37.1 | Very low | 51.6 | Low | 80 Ų | 80 | 92 Ų | 92 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 140 | 165.4 | 73.4 | 0 | 0 | 0 | 0 | 110 | I197 | I197-S199 PolarHBondContact O-N 3.44Š|
| 200 | E | 36.9 | Very low | 49.8 | Very low | 183 Ų | 183 | 94.3 Ų | 94.3 | 86% | 0.855 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 158.3 | 168.6 | -67.6 | -169.2 | 161.7 | 0 | 0 | 111.8 | ||
| 201 | P | 44.7 | Very low | 47.6 | Very low | 130 Ų | 130 | 96.9 Ų | 96.9 | 84% | 0.844 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -101.2 | 117.1 | -45.3 | 32.6 | -18.7 | 0 | 0 | 0 | 109.3 | ||
| 202 | G | 42.2 | Very low | 45.9 | Very low | 49 Ų | 49 | 99.1 Ų | 99.1 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 101.5 | 119.5 | 168 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 203 | S | 36.2 | Very low | 44.2 | Very low | 100 Ų | 100 | 104.1 Ų | 104.1 | 70% | 0.699 | 54% | 0.543 | S | S | * | . | trans | 97.8 | 123.2 | 160.5 | -38.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 204 | R | 44.5 | Very low | 43.2 | Very low | 82 Ų | 82 | 105.3 Ų | 105.3 | 31% | 0.309 | 55% | 0.552 | S | S | . | * | trans | -27.6 | 132.9 | 165 | -86.1 | 140.8 | -142.7 | -116.5 | -27.6 | 112.1 | V214 C215 T216 C219 | R204-V214 WeakPolarHBondContact CD-O 3.46Å; R204-V214 VanDerWaalsContact CG-O 3.27Å; R204-V214 WeakPolarHBondContact CG-O 3.48Å; R204-C215 VanDerWaalsContact CD-C 3.49Å; R204-C215 WeakPolarHBondContact CG-O 3.25Å; R204-C215 VanDerWaalsContact CZ-C 3.46Å; R204-C215 VanDerWaalsContact CZ-CA 3.46Å; R204-C215 VanDerWaalsContact CZ-SG 3.51Å; R204-C215 PolarHBondContact NH1-SG 2.8Å; R204-C215 PolarHBondContact NH2-SG 2.87Å; R204-T216 HydrophobicContact CB-CG2 3.76Å; R204-T216 VanDerWaalsContact CD-CG2 3.42Å; R204-T216 VanDerWaalsContact CG-CB 3.42Å; R204-T216 HydrophobicContact CG-CG2 3.13Å; R204-T216 VanDerWaalsContact CZ-CA 3.48Å; R204-T216 PolarHBondContact NE-OG1 2.83Å; R204-T216 VanDerWaalsContact NH2-CA 3.33Å; R204-T216 PolarHBondContact NH2-O 3.38Å; R204-T216 PolarHBondContact NH2-OG1 2.86Å; R204-C219 VanDerWaalsContact CZ-SG 3.55Å; R204-C219 PolarHBondContact NH2-SG 2.8Å | ||
| 205 | L | 37.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | trans | -159.9 | 112.2 | 137.4 | -73.8 | -175.4 | 0 | 0 | 0 | 110.8 | L207 F213 | L205-L207 HydrophobicContact CD1-CD1 3.97Å; L205-F213 HydrophobicContact CD2-CD1 4.43Å; L205-F213 HydrophobicContact CD2-CE1 4.42Å | ||
| 206 | V | 41.4 | Very low | 43.7 | Very low | 73 Ų | 73 | 94.9 Ų | 94.9 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | trans | -110.5 | 102.5 | 140.4 | -179.5 | 0 | 0 | 0 | 0 | 104.8 | I197 K208 | I197-V206 HydrophobicContact CD1-CG2 4.17Å; I197-V206 HydrophobicContact CG1-CG2 4.28Å; V206-K208 PolarHBondContact O-N 2.71Å | ||
| 207 | L | 36.5 | Very low | 44.4 | Very low | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | trans | -69.5 | 113.1 | 167.5 | -89.4 | 134.8 | 0 | 0 | 0 | 107.3 | L205 | L205-L207 HydrophobicContact CD1-CD1 3.97Š| ||
| 208 | K | 44.1 | Very low | 45.9 | Very low | 55 Ų | 55 | 91.2 Ų | 91.2 | 24% | 0.239 | 50% | 0.497 | C | S | . | . | trans | -65.1 | 155.2 | 155.3 | -77.6 | -175.2 | -177.8 | 175.3 | 0 | 108 | L177 E183 V206 D210 S211 | L177-K208 HydrophobicContact CD1-CD 4.2Å; L177-K208 HydrophobicContact CD2-CD 3.98Å; E183-K208 WeakPolarHBondContact OE1-CE 3.49Å; E183-K208 IonicContact OE1-NZ 3.38Å; E183-K208 PolarHBondContact OE1-NZ 3.21Å; V206-K208 PolarHBondContact O-N 2.71Å; K208-D210 WeakPolarHBondContact CB-OD1 3.48Å; K208-D210 PolarHBondContact O-N 3.4Å; K208-S211 PolarHBondContact O-N 3.16Å | ||
| 209 | Q | 42.5 | Very low | 47.4 | Very low | 211 Ų | 211 | 88.3 Ų | 88.3 | 99% | 0.986 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -16.8 | 179.7 | -77.5 | -178.7 | -18.3 | 0 | 0 | 113.2 | ||
| 210 | D | 46 | Very low | 49.2 | Very low | 97 Ų | 97 | 85 Ų | 85 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 7.9 | 179.4 | 67.1 | -0.4 | 0 | 0 | 0 | 115 | K208 T212 | K208-D210 WeakPolarHBondContact CB-OD1 3.48Å; K208-D210 PolarHBondContact O-N 3.4Å; D210-T212 PolarHBondContact O-N 3.31Å; D210-T212 PolarHBondContact OD1-N 3.06Å; D210-T212 PolarHBondContact OD1-OG1 2.97Å; D210-T212 PolarHBondContact OD2-OG1 2.84Å |
| 211 | S | 37.3 | Very low | 51.1 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 56% | 0.559 | 43% | 0.427 | S | S | * | . | trans | 64.2 | 26.5 | 175.3 | -53.2 | 0 | 0 | 0 | 0 | 117.1 | K208 | K208-S211 PolarHBondContact O-N 3.16Š| ||
| 212 | T | 42.8 | Very low | 52.8 | Low | 46 Ų | 46 | 74.1 Ų | 74.1 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 136.6 | 173.6 | 36.4 | 0 | 0 | 0 | 0 | 113.2 | L177 D210 | L177-T212 HydrophobicContact CD1-CG2 4.49Å; L177-T212 WeakPolarHBondContact CD1-OG1 3.27Å; L177-T212 HydrophobicContact CD2-CG2 4.43Å; L177-T212 VanDerWaalsContact CD2-OG1 3.29Å; L177-T212 WeakPolarHBondContact CD2-OG1 3.41Å; L177-T212 HydrophobicContact CG-CG2 4.12Å; L177-T212 WeakPolarHBondContact CG-OG1 3.46Å; D210-T212 PolarHBondContact O-N 3.31Å; D210-T212 PolarHBondContact OD1-N 3.06Å; D210-T212 PolarHBondContact OD1-OG1 2.97Å; D210-T212 PolarHBondContact OD2-OG1 2.84Å |
| 213 | F | 42.5 | Very low | 54.5 | Low | 164 Ų | 164 | 74.6 Ų | 74.6 | 72% | 0.719 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -85 | 117.1 | -174 | -67.8 | -93.6 | 0 | 0 | 0 | 112.7 | L205 | L205-F213 HydrophobicContact CD2-CD1 4.43Å; L205-F213 HydrophobicContact CD2-CE1 4.42Å |
| 214 | V | 51.7 | Low | 56.6 | Low | 42 Ų | 42 | 69.9 Ų | 69.9 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 158.6 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | L177 R204 | L177-V214 HydrophobicContact CD1-CG2 3.81Å; R204-V214 WeakPolarHBondContact CD-O 3.46Å; R204-V214 VanDerWaalsContact CG-O 3.27Å; R204-V214 WeakPolarHBondContact CG-O 3.48Å |
| 215 | C | 58.1 | Low | 58.5 | Low | 50 Ų | 50 | 66.5 Ų | 66.5 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 158.7 | -176 | -156.8 | 0 | 0 | 0 | 0 | 114.4 | R204 | R204-C215 VanDerWaalsContact CD-C 3.49Å; R204-C215 WeakPolarHBondContact CG-O 3.25Å; R204-C215 VanDerWaalsContact CZ-C 3.46Å; R204-C215 VanDerWaalsContact CZ-CA 3.46Å; R204-C215 VanDerWaalsContact CZ-SG 3.51Å; R204-C215 PolarHBondContact NH1-SG 2.8Å; R204-C215 PolarHBondContact NH2-SG 2.87Å |
| 216 | T | 64.3 | Low | 60.7 | Low | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 140.9 | -178 | 46.9 | 0 | 0 | 0 | 0 | 100.6 | R204 E218 C219 L220 | R204-T216 HydrophobicContact CB-CG2 3.76Å; R204-T216 VanDerWaalsContact CD-CG2 3.42Å; R204-T216 VanDerWaalsContact CG-CB 3.42Å; R204-T216 HydrophobicContact CG-CG2 3.13Å; R204-T216 VanDerWaalsContact CZ-CA 3.48Å; R204-T216 PolarHBondContact NE-OG1 2.83Å; R204-T216 VanDerWaalsContact NH2-CA 3.33Å; R204-T216 PolarHBondContact NH2-O 3.38Å; R204-T216 PolarHBondContact NH2-OG1 2.86Å; T216-E218 PolarHBondContact O-N 2.97Å; T216-E218 PolarHBondContact OG1-N 2.7Å; T216-C219 PolarHBondContact O-N 2.79Å; T216-C219 PolarHBondContact OG1-N 2.83Å; T216-C219 PolarHBondContact OG1-SG 2.91Å; T216-C219 VanDerWaalsContact OG1-SG 3.34Å; T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.49Å; T216-L220 PolarHBondContact O-N 2.89Å |
| 217 | L | 67.4 | Low | 62.6 | Low | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -37.8 | -49.6 | 159.2 | -165.6 | 53.3 | 0 | 0 | 0 | 113.4 | D146 F152 F196 L220 K221 | D146-L217 WeakPolarHBondContact OD1-CD2 3.28Å; D146-L217 VanDerWaalsContact OD2-CD2 3.31Å; D146-L217 WeakPolarHBondContact OD2-CD2 3.31Å; F152-L217 HydrophobicContact CB-CD1 3.41Å; F152-L217 VanDerWaalsContact CB-CD1 3.41Å; F152-L217 HydrophobicContact CD2-CD1 3.46Å; F152-L217 VanDerWaalsContact CD2-CD1 3.46Å; F152-L217 HydrophobicContact CE2-CD1 4.41Å; F152-L217 HydrophobicContact CG-CD1 3.62Å; F196-L217 HydrophobicContact CE1-CD1 4.47Å; F196-L217 HydrophobicContact CE2-CD1 4.15Å; F196-L217 HydrophobicContact CZ-CD1 4.13Å; L217-L220 PolarHBondContact O-N 3.13Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 2.78Å |
| 218 | E | 71.2 | Confident | 64.9 | Low | 97 Ų | 97 | 58.8 Ų | 58.8 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -50.6 | -178.1 | -63.9 | 179.8 | 158 | 0 | 0 | 114.1 | T216 L220 K221 L222 V247 | T216-E218 PolarHBondContact O-N 2.97Å; T216-E218 PolarHBondContact OG1-N 2.7Å; E218-L220 VanDerWaalsContact C-N 3.35Å; E218-K221 PolarHBondContact O-N 3.28Å; E218-L222 WeakPolarHBondContact O-CB 3.35Å; E218-L222 PolarHBondContact O-N 2.86Å; E218-V247 HydrophobicContact CB-CB 4.26Å; E218-V247 HydrophobicContact CB-CG1 4.43Å; E218-V247 HydrophobicContact CG-CB 4.33Å; E218-V247 HydrophobicContact CG-CG2 4.5Å |
| 219 | C | 71.8 | Confident | 66.7 | Low | 62 Ų | 62 | 60.3 Ų | 60.3 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -76.4 | -24 | 179 | -27 | 0 | 0 | 0 | 0 | 112.6 | R204 T216 E223 | R204-C219 VanDerWaalsContact CZ-SG 3.55Å; R204-C219 PolarHBondContact NH2-SG 2.8Å; T216-C219 PolarHBondContact O-N 2.79Å; T216-C219 PolarHBondContact OG1-N 2.83Å; T216-C219 PolarHBondContact OG1-SG 2.91Å; T216-C219 VanDerWaalsContact OG1-SG 3.34Å; C219-E223 VanDerWaalsContact O-CB 3.29Å; C219-E223 WeakPolarHBondContact O-CB 3.33Å; C219-E223 PolarHBondContact O-N 2.76Å |
| 220 | L | 73.9 | Confident | 68.6 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 170.4 | 176.1 | 62.9 | 0 | 0 | 0 | 110.9 | F152 L169 F193 F196 T216 L217 E218 E223 T224 | F152-L220 HydrophobicContact CD1-CD2 3.45Å; F152-L220 VanDerWaalsContact CD1-CD2 3.45Å; F152-L220 HydrophobicContact CD1-CG 4.02Å; F152-L220 HydrophobicContact CE1-CD1 4.47Å; F152-L220 HydrophobicContact CE1-CD2 3.58Å; F152-L220 HydrophobicContact CE1-CG 3.6Å; F152-L220 HydrophobicContact CG-CD2 4.24Å; F152-L220 HydrophobicContact CZ-CD2 4.46Å; F152-L220 HydrophobicContact CZ-CG 4.17Å; L169-L220 HydrophobicContact CD2-CD1 3.28Å; L169-L220 HydrophobicContact CG-CD1 4.4Å; F193-L220 HydrophobicContact CD1-CD2 4.23Å; F193-L220 HydrophobicContact CD2-CD2 4.18Å; F193-L220 HydrophobicContact CE1-CD2 3.72Å; F193-L220 HydrophobicContact CE2-CD2 3.65Å; F193-L220 HydrophobicContact CG-CD2 4.45Å; F193-L220 HydrophobicContact CZ-CD1 4.1Å; F193-L220 HydrophobicContact CZ-CD2 3.4Å; F193-L220 VanDerWaalsContact CZ-CD2 3.4Å; F193-L220 HydrophobicContact CZ-CG 4.34Å; F196-L220 HydrophobicContact CZ-CD2 4.21Å; T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.49Å; T216-L220 PolarHBondContact O-N 2.89Å; L217-L220 PolarHBondContact O-N 3.13Å; E218-L220 VanDerWaalsContact C-N 3.35Å; L220-E223 PolarHBondContact O-N 2.86Å; L220-T224 WeakPolarHBondContact O-CB 3.3Å; L220-T224 PolarHBondContact O-N 3.03Å; L220-T224 PolarHBondContact O-OG1 2.69Å |
| 221 | K | 77.6 | Confident | 70.1 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.5 | -174.4 | 170.2 | -178.6 | 177.5 | 0 | 111.4 | V144 F152 L217 E218 E223 T224 V225 V247 A249 L252 | V144-K221 HydrophobicContact CG1-CG 4.19Å; F152-K221 HydrophobicContact CE2-CB 3.8Å; F152-K221 HydrophobicContact CE2-CD 4.34Å; F152-K221 HydrophobicContact CE2-CG 4.03Å; F152-K221 HydrophobicContact CZ-CB 4.18Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 2.78Å; E218-K221 PolarHBondContact O-N 3.28Å; K221-E223 PolarHBondContact O-N 3.35Å; K221-T224 WeakPolarHBondContact O-CB 3.38Å; K221-T224 PolarHBondContact O-N 3.08Å; K221-V225 VanDerWaalsContact O-CG2 3.28Å; K221-V225 WeakPolarHBondContact O-CG2 3.3Å; K221-V225 PolarHBondContact O-N 3.12Å; K221-V247 PolarHBondContact NZ-O 3.43Å; K221-A249 PolarHBondContact NZ-O 3.12Å; K221-L252 HydrophobicContact CG-CD1 4.4Å |
| 222 | L | 78.9 | Confident | 72.3 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 44% | 0.44 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.2 | -174.3 | 65.7 | 0 | 0 | 0 | 111.9 | E218 T224 V225 M226 V247 | E218-L222 WeakPolarHBondContact O-CB 3.35Å; E218-L222 PolarHBondContact O-N 2.86Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 2.97Å; L222-V225 PolarHBondContact O-N 3.31Å; L222-M226 HydrophobicContact CG-CG 4.5Å; L222-M226 WeakPolarHBondContact O-CB 3.31Å; L222-M226 VanDerWaalsContact O-CG 3.25Å; L222-M226 WeakPolarHBondContact O-CG 3.24Å; L222-M226 PolarHBondContact O-N 2.88Å; L222-V247 HydrophobicContact CB-CG1 4.18Å |
| 223 | E | 78.1 | Confident | 74.2 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.6 | -172.2 | 75.7 | 173.2 | 0 | 0 | 110.9 | R168 I172 C219 L220 K221 M226 L227 | R168-E223 HydrophobicContact CG-CG 4.48Å; R168-E223 IonicContact CZ-OE1 3.08Å; R168-E223 IonicContact NE-OE1 3.99Å; R168-E223 PolarHBondContact NE-OE1 3.25Å; R168-E223 IonicContact NH2-OE1 2.78Å; R168-E223 PolarHBondContact NH2-OE1 3.15Å; I172-E223 HydrophobicContact CD1-CG 4.42Å; C219-E223 VanDerWaalsContact O-CB 3.29Å; C219-E223 WeakPolarHBondContact O-CB 3.33Å; C219-E223 PolarHBondContact O-N 2.76Å; L220-E223 PolarHBondContact O-N 2.86Å; K221-E223 PolarHBondContact O-N 3.35Å; E223-M226 PolarHBondContact O-N 3.25Å; E223-L227 HydrophobicContact CG-CD1 4.35Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å |
| 224 | T | 81 | Confident | 76.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.6 | -55 | 0 | 0 | 0 | 0 | 111.3 | V144 V154 L220 K221 L222 L227 A228 | V144-T224 HydrophobicContact CG2-CG2 3.83Å; V154-T224 HydrophobicContact CG1-CG2 3.91Å; V154-T224 HydrophobicContact CG2-CG2 3.88Å; L220-T224 WeakPolarHBondContact O-CB 3.3Å; L220-T224 PolarHBondContact O-N 3.03Å; L220-T224 PolarHBondContact O-OG1 2.69Å; K221-T224 WeakPolarHBondContact O-CB 3.38Å; K221-T224 PolarHBondContact O-N 3.08Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 2.97Å; T224-L227 PolarHBondContact O-N 3.25Å; T224-A228 WeakPolarHBondContact O-CB 3.35Å; T224-A228 PolarHBondContact O-N 2.94Å |
| 225 | V | 84.2 | Confident | 77.9 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | K221 L222 L227 A228 L229 V246 L252 F254 | K221-V225 VanDerWaalsContact O-CG2 3.28Å; K221-V225 WeakPolarHBondContact O-CG2 3.3Å; K221-V225 PolarHBondContact O-N 3.12Å; L222-V225 PolarHBondContact O-N 3.31Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 2.95Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.04Å; V225-L229 HydrophobicContact CG1-CD1 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CG 3.1Å; V225-L229 PolarHBondContact O-N 3Å; V225-V246 HydrophobicContact CG2-CG1 4.15Å; V225-L252 HydrophobicContact CG2-CD1 3.64Å; V225-F254 HydrophobicContact CB-CZ 4.42Å; V225-F254 HydrophobicContact CG1-CE1 4.32Å; V225-F254 HydrophobicContact CG1-CZ 4.11Å; V225-F254 HydrophobicContact CG2-CZ 3.96Å |
| 226 | M | 84 | Confident | 79.1 | Confident | 88 Ų | 88 | 50 Ų | 50 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 178.3 | -69.8 | -63.4 | -69.2 | 0 | 0 | 112.2 | L222 E223 K230 | L222-M226 HydrophobicContact CG-CG 4.5Å; L222-M226 WeakPolarHBondContact O-CB 3.31Å; L222-M226 VanDerWaalsContact O-CG 3.25Å; L222-M226 WeakPolarHBondContact O-CG 3.24Å; L222-M226 PolarHBondContact O-N 2.88Å; E223-M226 PolarHBondContact O-N 3.25Å; M226-K230 WeakPolarHBondContact O-CB 3.37Å; M226-K230 VanDerWaalsContact O-CG 3.3Å; M226-K230 WeakPolarHBondContact O-CG 3.43Å; M226-K230 PolarHBondContact O-N 2.89Å |
| 227 | L | 81.4 | Confident | 79.5 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 20% | 0.199 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 173.6 | -75.2 | 171.8 | 0 | 0 | 0 | 111.7 | F161 V165 R168 E223 T224 V225 K230 A231 | F161-L227 HydrophobicContact CE2-CB 4.22Å; F161-L227 HydrophobicContact CZ-CB 4.29Å; V165-L227 HydrophobicContact CG2-CD1 4.14Å; R168-L227 HydrophobicContact CB-CD1 4.15Å; R168-L227 HydrophobicContact CG-CD1 4.08Å; E223-L227 HydrophobicContact CG-CD1 4.35Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å; T224-L227 PolarHBondContact O-N 3.25Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 2.95Å; L227-K230 PolarHBondContact O-N 3.22Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.16Å; L227-A231 PolarHBondContact O-N 2.88Å |
| 228 | A | 83.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -51.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L142 F161 T224 V225 K230 A231 G232 F233 F254 | L142-A228 HydrophobicContact CD2-CB 3.31Å; F161-A228 HydrophobicContact CE2-CB 4.38Å; F161-A228 HydrophobicContact CZ-CB 4.03Å; T224-A228 WeakPolarHBondContact O-CB 3.35Å; T224-A228 PolarHBondContact O-N 2.94Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.04Å; A228-K230 PolarHBondContact O-N 3.08Å; A228-A231 CarbonylContact O-C 3.53Å; A228-A231 WeakPolarHBondContact O-CA 3.46Å; A228-A231 WeakPolarHBondContact O-CB 3.42Å; A228-A231 PolarHBondContact O-N 2.71Å; A228-G232 PolarHBondContact O-N 2.87Å; A228-F233 HydrophobicContact CB-CB 4.06Å; A228-F233 HydrophobicContact CB-CG 4.43Å; A228-F233 WeakPolarHBondContact O-CB 3.14Å; A228-F233 WeakPolarHBondContact O-CD2 3.5Å; A228-F233 PolarHBondContact O-N 2.82Å; A228-F254 HydrophobicContact CB-CD1 4.3Å; A228-F254 HydrophobicContact CB-CE1 4.39Å |
| 229 | L | 83 | Confident | 78.7 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.4 | -65.4 | 173.1 | 0 | 0 | 0 | 111.7 | V225 A231 G232 | V225-L229 HydrophobicContact CG1-CD1 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CG 3.1Å; V225-L229 PolarHBondContact O-N 3Å; L229-A231 PolarHBondContact O-N 2.99Å; L229-G232 PolarHBondContact O-N 3.11Å |
| 230 | K | 81.4 | Confident | 77.7 | Confident | 170 Ų | 170 | 55.8 Ų | 55.8 | 74% | 0.739 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.5 | -28.9 | 174.7 | -76.8 | 177.9 | 179.7 | 178.7 | 0 | 113.1 | M226 L227 A228 G232 | M226-K230 WeakPolarHBondContact O-CB 3.37Å; M226-K230 VanDerWaalsContact O-CG 3.3Å; M226-K230 WeakPolarHBondContact O-CG 3.43Å; M226-K230 PolarHBondContact O-N 2.89Å; L227-K230 PolarHBondContact O-N 3.22Å; A228-K230 PolarHBondContact O-N 3.08Å; K230-G232 PolarHBondContact O-N 2.72Å |
| 231 | A | 78.8 | Confident | 76.7 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F161 L227 A228 L229 F233 K256 | F161-A231 HydrophobicContact CD2-CB 3.97Å; F161-A231 HydrophobicContact CE2-CB 4Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.16Å; L227-A231 PolarHBondContact O-N 2.88Å; A228-A231 CarbonylContact O-C 3.53Å; A228-A231 WeakPolarHBondContact O-CA 3.46Å; A228-A231 WeakPolarHBondContact O-CB 3.42Å; A228-A231 PolarHBondContact O-N 2.71Å; L229-A231 PolarHBondContact O-N 2.99Å; A231-F233 HydrophobicContact CB-CD2 3.96Å; A231-F233 HydrophobicContact CB-CE2 4.18Å; A231-K256 VanDerWaalsContact O-CD 3.3Å; A231-K256 WeakPolarHBondContact O-CD 3.48Å; A231-K256 WeakPolarHBondContact O-CE 3.29Å; A231-K256 PolarHBondContact O-NZ 3.04Å |
| 232 | G | 82.3 | Confident | 75.5 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 8.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A228 L229 K230 | A228-G232 PolarHBondContact O-N 2.87Å; L229-G232 PolarHBondContact O-N 3.11Å; K230-G232 PolarHBondContact O-N 2.72Å |
| 233 | F | 83.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | trans | -74 | 140.8 | 173.2 | -73.4 | -98.8 | 0 | 0 | 0 | 110.8 | A140 L142 F161 A228 A231 F254 V255 K256 | A140-F233 HydrophobicContact CB-CE1 3.76Å; A140-F233 HydrophobicContact CB-CZ 3.74Å; A140-F233 WeakPolarHBondContact O-CE1 3.43Å; L142-F233 HydrophobicContact CB-CD1 3.82Å; L142-F233 HydrophobicContact CB-CE1 3.66Å; L142-F233 HydrophobicContact CB-CZ 4.38Å; L142-F233 HydrophobicContact CD2-CD1 4.33Å; L142-F233 HydrophobicContact CD2-CG 4.39Å; F161-F233 AromaticContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CE2-CE2 4.37Å; F161-F233 HydrophobicContact CG-CE2 4.21Å; A228-F233 HydrophobicContact CB-CB 4.06Å; A228-F233 HydrophobicContact CB-CG 4.43Å; A228-F233 WeakPolarHBondContact O-CB 3.14Å; A228-F233 WeakPolarHBondContact O-CD2 3.5Å; A228-F233 PolarHBondContact O-N 2.82Å; A231-F233 HydrophobicContact CB-CD2 3.96Å; A231-F233 HydrophobicContact CB-CE2 4.18Å; F233-F254 HydrophobicContact CB-CB 3.9Å; F233-F254 HydrophobicContact CB-CD1 4.35Å; F233-F254 HydrophobicContact CB-CG 4.46Å; F233-F254 HydrophobicContact CD1-CB 3.96Å; F233-F254 HydrophobicContact CG-CB 4.35Å; F233-V255 CarbonylContact C-O 3.6Å; F233-V255 WeakPolarHBondContact CA-O 3.3Å; F233-K256 HydrophobicContact CB-CB 4.4Å; F233-K256 HydrophobicContact CD1-CB 3.55Å; F233-K256 HydrophobicContact CD2-CB 4.03Å; F233-K256 HydrophobicContact CD2-CD 3.88Å; F233-K256 HydrophobicContact CE1-CB 3.69Å; F233-K256 HydrophobicContact CE2-CB 4.16Å; F233-K256 HydrophobicContact CE2-CD 3.71Å; F233-K256 HydrophobicContact CG-CB 3.73Å; F233-K256 HydrophobicContact CG-CD 4.42Å; F233-K256 HydrophobicContact CZ-CB 3.99Å; F233-K256 HydrophobicContact CZ-CD 4.12Å | ||
| 234 | S | 86.4 | Confident | 73.2 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 51% | 0.51 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.3 | 173.6 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | F254 V255 | S234-F254 CarbonylContact O-C 3.4Å; S234-F254 WeakPolarHBondContact O-CA 3.33Å; S234-F254 WeakPolarHBondContact O-CB 3.4Å; S234-V255 PolarHBondContact N-O 3.38Å; S234-V255 PolarHBondContact O-N 3.47Å |
| 235 | I | 85.6 | Confident | 72.4 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 33% | 0.333 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.5 | 177.3 | -167.1 | 169.2 | 0 | 0 | 0 | 110.4 | L239 L252 F254 | I235-L239 HydrophobicContact CD1-CD1 4.27Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CD1-CG 4.28Å; I235-L252 HydrophobicContact CD1-CD2 4.16Å; I235-F254 HydrophobicContact CB-CD1 3.79Å; I235-F254 HydrophobicContact CB-CE1 3.64Å; I235-F254 HydrophobicContact CB-CZ 4.4Å; I235-F254 HydrophobicContact CD1-CE1 4.12Å; I235-F254 HydrophobicContact CD1-CZ 4.1Å; I235-F254 HydrophobicContact CG1-CD1 4.21Å; I235-F254 HydrophobicContact CG1-CE1 3.85Å; I235-F254 HydrophobicContact CG1-CZ 4.11Å |
| 236 | I | 83.2 | Confident | 71.6 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | trans | -108.1 | -27 | 179.9 | -48.6 | 168.3 | 0 | 0 | 0 | 111.2 | S238 H253 V255 | I236-S238 PolarHBondContact O-N 2.88Å; I236-H253 PolarHBondContact N-O 3.03Å; I236-V255 HydrophobicContact CD1-CB 3.49Å; I236-V255 VanDerWaalsContact CD1-CB 3.49Å; I236-V255 HydrophobicContact CD1-CG1 3.51Å; I236-V255 HydrophobicContact CG1-CB 4.2Å; I236-V255 HydrophobicContact CG1-CG1 3.74Å | ||
| 237 | T | 73.2 | Confident | 70.8 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -64.2 | 128.6 | -179.9 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | L239 H253 | T237-L239 PolarHBondContact O-N 2.95Å; T237-L239 VanDerWaalsContact O-N 3.1Å; T237-H253 PolarHBondContact OG1-N 3.39Å; T237-H253 PolarHBondContact OG1-ND1 3.42Å |
| 238 | S | 59.1 | Low | 70.2 | Confident | 107 Ų | 107 | 72 Ų | 72 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | trans | -62 | 111 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 109 | I236 D240 | I236-S238 PolarHBondContact O-N 2.88Å; S238-D240 PolarHBondContact O-N 2.78Å | ||
| 239 | L | 61.3 | Low | 69.7 | Low | 82 Ų | 82 | 73.3 Ų | 73.3 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | trans | -73.2 | 95.9 | 172.1 | -64.6 | 170.2 | 0 | 0 | 0 | 107.6 | I235 T237 S241 V246 L252 | I235-L239 HydrophobicContact CD1-CD1 4.27Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CD1-CG 4.28Å; T237-L239 PolarHBondContact O-N 2.95Å; T237-L239 VanDerWaalsContact O-N 3.1Å; L239-S241 VanDerWaalsContact C-N 3.34Å; L239-S241 PolarHBondContact O-N 3.47Å; L239-V246 HydrophobicContact CD1-CG2 3.58Å; L239-V246 HydrophobicContact CD2-CB 4.34Å; L239-V246 HydrophobicContact CD2-CG1 4.45Å; L239-V246 HydrophobicContact CD2-CG2 3.76Å; L239-V246 HydrophobicContact CG-CG2 4.32Å; L239-L252 HydrophobicContact CD2-CD2 3.98Å | ||
| 240 | D | 52.1 | Low | 69.4 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 48% | 0.481 | 46% | 0.462 | S | S | . | . | trans | -65 | 98.3 | 168.4 | -179.3 | 3.9 | 0 | 0 | 0 | 108.5 | S238 S242 K243 | S238-D240 PolarHBondContact O-N 2.78Å; D240-S242 PolarHBondContact O-N 3.15Å; D240-S242 VanDerWaalsContact O-N 3.12Å; D240-S242 WeakPolarHBondContact OD1-CB 3.5Å; D240-S242 PolarHBondContact OD1-N 3.32Å; D240-S242 PolarHBondContact OD1-OG 3.09Å; D240-S242 PolarHBondContact OD2-OG 3.35Å; D240-K243 PolarHBondContact O-N 3.07Å | ||
| 241 | S | 51.7 | Low | 69.4 | Low | 107 Ų | 107 | 69.7 Ų | 69.7 | 75% | 0.748 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -65.8 | -10.6 | -179 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | L239 K243 G244 | L239-S241 VanDerWaalsContact C-N 3.34Å; L239-S241 PolarHBondContact O-N 3.47Å; S241-K243 PolarHBondContact O-N 3.49Å; S241-G244 PolarHBondContact O-N 2.94Å |
| 242 | S | 54 | Low | 69.7 | Low | 93 Ų | 93 | 68.8 Ų | 68.8 | 65% | 0.65 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -66.7 | -20 | 175.1 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | D240 | D240-S242 PolarHBondContact O-N 3.15Å; D240-S242 VanDerWaalsContact O-N 3.12Å; D240-S242 WeakPolarHBondContact OD1-CB 3.5Å; D240-S242 PolarHBondContact OD1-N 3.32Å; D240-S242 PolarHBondContact OD1-OG 3.09Å; D240-S242 PolarHBondContact OD2-OG 3.35Å |
| 243 | K | 49.7 | Very low | 69.9 | Low | 172 Ų | 172 | 69.4 Ų | 69.4 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -103.7 | 5.1 | 176 | -62.7 | -163.2 | -179.7 | -177.1 | 0 | 114.7 | D240 S241 | D240-K243 PolarHBondContact O-N 3.07Å; S241-K243 PolarHBondContact O-N 3.49Å |
| 244 | G | 57.4 | Low | 70.1 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | trans | 87.3 | -159.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S241 | S241-G244 PolarHBondContact O-N 2.94Š| ||
| 245 | S | 64.8 | Low | 70.1 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 58% | 0.58 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -53.8 | 153.7 | -168.9 | -179.1 | 0 | 0 | 0 | 0 | 114.9 | V247 A248 | S245-V247 PolarHBondContact O-N 2.98Å; S245-A248 WeakPolarHBondContact O-CB 3.31Å; S245-A248 PolarHBondContact O-N 3.49Å |
| 246 | V | 67 | Low | 70 | Confident | 38 Ų | 38 | 71 Ų | 71 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -45.8 | -31.3 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 113.4 | V225 L239 A248 A249 L252 | V225-V246 HydrophobicContact CG2-CG1 4.15Å; L239-V246 HydrophobicContact CD1-CG2 3.58Å; L239-V246 HydrophobicContact CD2-CB 4.34Å; L239-V246 HydrophobicContact CD2-CG1 4.45Å; L239-V246 HydrophobicContact CD2-CG2 3.76Å; L239-V246 HydrophobicContact CG-CG2 4.32Å; V246-A248 PolarHBondContact O-N 3.4Å; V246-A249 PolarHBondContact O-N 3.34Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CD2 4.03Å; V246-L252 HydrophobicContact CG1-CG 4.45Å |
| 247 | V | 66.6 | Low | 69.3 | Low | 28 Ų | 28 | 69.6 Ų | 69.6 | 17% | 0.17 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.8 | 179 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | E218 K221 L222 S245 | E218-V247 HydrophobicContact CB-CB 4.26Å; E218-V247 HydrophobicContact CB-CG1 4.43Å; E218-V247 HydrophobicContact CG-CB 4.33Å; E218-V247 HydrophobicContact CG-CG2 4.5Å; K221-V247 PolarHBondContact NZ-O 3.43Å; L222-V247 HydrophobicContact CB-CG1 4.18Å; S245-V247 PolarHBondContact O-N 2.98Å |
| 248 | A | 70.2 | Confident | 69.1 | Low | 61 Ų | 61 | 71.2 Ų | 71.2 | 50% | 0.504 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -86 | -11.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S245 V246 | S245-A248 WeakPolarHBondContact O-CB 3.31Å; S245-A248 PolarHBondContact O-N 3.49Å; V246-A248 PolarHBondContact O-N 3.4Å |
| 249 | A | 72.3 | Confident | 69.7 | Low | 29 Ų | 29 | 69.2 Ų | 69.2 | 24% | 0.24 | 41% | 0.409 | C | S | . | . | trans | -66.5 | 140.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K221 V246 A251 L252 | K221-A249 PolarHBondContact NZ-O 3.12Å; V246-A249 PolarHBondContact O-N 3.34Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.4Å; A249-L252 HydrophobicContact CB-CD2 3.73Å; A249-L252 HydrophobicContact CB-CG 4.29Å | ||
| 250 | E | 77.3 | Confident | 70.2 | Confident | 151 Ų | 151 | 68.4 Ų | 68.4 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -72 | -32 | 179.6 | -67.7 | 179.5 | 158.8 | 0 | 0 | 112.6 | D146 | D146-E250 PolarHBondContact N-O 3.38Š|
| 251 | A | 81.3 | Confident | 71.3 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V144 T145 A249 | V144-A251 CarbonylContact O-C 3.53Å; V144-A251 WeakPolarHBondContact O-CA 3.49Å; T145-A251 HydrophobicContact CG2-CB 3.97Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.4Å |
| 252 | L | 84.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.9 | 172.5 | -59.9 | 169.1 | 0 | 0 | 0 | 109.2 | E143 V144 K221 V225 I235 L239 V246 A249 F254 | E143-L252 CarbonylContact C-O 3.42Å; E143-L252 WeakPolarHBondContact CA-O 3.31Å; V144-L252 HydrophobicContact CB-CB 4.31Å; V144-L252 PolarHBondContact N-O 2.74Å; V144-L252 PolarHBondContact O-N 3.39Å; K221-L252 HydrophobicContact CG-CD1 4.4Å; V225-L252 HydrophobicContact CG2-CD1 3.64Å; I235-L252 HydrophobicContact CD1-CD2 4.16Å; L239-L252 HydrophobicContact CD2-CD2 3.98Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CD2 4.03Å; V246-L252 HydrophobicContact CG1-CG 4.45Å; A249-L252 HydrophobicContact CB-CD2 3.73Å; A249-L252 HydrophobicContact CB-CG 4.29Å; L252-F254 HydrophobicContact CB-CE2 3.62Å; L252-F254 HydrophobicContact CB-CZ 4.14Å |
| 253 | H | 85.8 | Confident | 73.9 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.3 | -179.1 | -55.4 | 104 | 0 | 0 | 0 | 109.6 | F141 L142 E143 I236 T237 | F141-H253 HydrophobicContact CE2-CB 4.07Å; F141-H253 HydrophobicContact CZ-CB 4.22Å; F141-H253 AromaticContact CZ-CD2 3.49Å; F141-H253 VanDerWaalsContact CZ-CD2 3.49Å; F141-H253 WeakPolarHBondContact CZ-CD2 3.4Å; L142-H253 CarbonylContact O-C 3.54Å; L142-H253 WeakPolarHBondContact O-CA 3.39Å; E143-H253 IonicContact OE1-NE2 2.78Å; I236-H253 PolarHBondContact N-O 3.03Å; T237-H253 PolarHBondContact OG1-N 3.39Å; T237-H253 PolarHBondContact OG1-ND1 3.42Å |
| 254 | F | 88.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.8 | 179.1 | -52 | -108.6 | 0 | 0 | 0 | 111.1 | L142 V144 V225 A228 F233 S234 I235 L252 | L142-F254 HydrophobicContact CB-CB 4.12Å; L142-F254 HydrophobicContact CB-CD2 4.48Å; L142-F254 HydrophobicContact CD2-CB 4.17Å; L142-F254 HydrophobicContact CD2-CD2 3.73Å; L142-F254 HydrophobicContact CD2-CE2 4.37Å; L142-F254 HydrophobicContact CD2-CG 4.01Å; L142-F254 HydrophobicContact CG-CB 4.42Å; L142-F254 HydrophobicContact CG-CD2 3.93Å; L142-F254 HydrophobicContact CG-CG 4.47Å; L142-F254 PolarHBondContact N-O 3.48Å; L142-F254 PolarHBondContact O-N 3.47Å; V144-F254 HydrophobicContact CG2-CE2 4.36Å; V225-F254 HydrophobicContact CB-CZ 4.42Å; V225-F254 HydrophobicContact CG1-CE1 4.32Å; V225-F254 HydrophobicContact CG1-CZ 4.11Å; V225-F254 HydrophobicContact CG2-CZ 3.96Å; A228-F254 HydrophobicContact CB-CD1 4.3Å; A228-F254 HydrophobicContact CB-CE1 4.39Å; F233-F254 HydrophobicContact CB-CB 3.9Å; F233-F254 HydrophobicContact CB-CD1 4.35Å; F233-F254 HydrophobicContact CB-CG 4.46Å; F233-F254 HydrophobicContact CD1-CB 3.96Å; F233-F254 HydrophobicContact CG-CB 4.35Å; S234-F254 CarbonylContact O-C 3.4Å; S234-F254 WeakPolarHBondContact O-CA 3.33Å; S234-F254 WeakPolarHBondContact O-CB 3.4Å; I235-F254 HydrophobicContact CB-CD1 3.79Å; I235-F254 HydrophobicContact CB-CE1 3.64Å; I235-F254 HydrophobicContact CB-CZ 4.4Å; I235-F254 HydrophobicContact CD1-CE1 4.12Å; I235-F254 HydrophobicContact CD1-CZ 4.1Å; I235-F254 HydrophobicContact CG1-CD1 4.21Å; I235-F254 HydrophobicContact CG1-CE1 3.85Å; I235-F254 HydrophobicContact CG1-CZ 4.11Å; L252-F254 HydrophobicContact CB-CE2 3.62Å; L252-F254 HydrophobicContact CB-CZ 4.14Å |
| 255 | V | 86.9 | Confident | 77.3 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.2 | 172.1 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | P139 A140 F233 S234 I236 | P139-V255 HydrophobicContact CB-CG2 3.93Å; A140-V255 CarbonylContact O-C 3.55Å; A140-V255 WeakPolarHBondContact O-CA 3.36Å; F233-V255 CarbonylContact C-O 3.6Å; F233-V255 WeakPolarHBondContact CA-O 3.3Å; S234-V255 PolarHBondContact N-O 3.38Å; S234-V255 PolarHBondContact O-N 3.47Å; I236-V255 HydrophobicContact CD1-CB 3.49Å; I236-V255 VanDerWaalsContact CD1-CB 3.49Å; I236-V255 HydrophobicContact CD1-CG1 3.51Å; I236-V255 HydrophobicContact CG1-CB 4.2Å; I236-V255 HydrophobicContact CG1-CG1 3.74Å |
| 256 | K | 82.8 | Confident | 78.5 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 53% | 0.53 | 29% | 0.292 | S | S | . | . | trans | -128 | 0 | 172.8 | 177.1 | 179.6 | 174.7 | 179.4 | 0 | 110.4 | P139 A140 A231 F233 | P139-K256 CarbonylContact C-O 3.47Å; P139-K256 WeakPolarHBondContact CA-O 3.38Å; A140-K256 HydrophobicContact CB-CB 4.26Å; A140-K256 PolarHBondContact N-O 2.84Å; A140-K256 PolarHBondContact O-N 2.77Å; A231-K256 VanDerWaalsContact O-CD 3.3Å; A231-K256 WeakPolarHBondContact O-CD 3.48Å; A231-K256 WeakPolarHBondContact O-CE 3.29Å; A231-K256 PolarHBondContact O-NZ 3.04Å; F233-K256 HydrophobicContact CB-CB 4.4Å; F233-K256 HydrophobicContact CD1-CB 3.55Å; F233-K256 HydrophobicContact CD2-CB 4.03Å; F233-K256 HydrophobicContact CD2-CD 3.88Å; F233-K256 HydrophobicContact CE1-CB 3.69Å; F233-K256 HydrophobicContact CE2-CB 4.16Å; F233-K256 HydrophobicContact CE2-CD 3.71Å; F233-K256 HydrophobicContact CG-CB 3.73Å; F233-K256 HydrophobicContact CG-CD 4.42Å; F233-K256 HydrophobicContact CZ-CB 3.99Å; F233-K256 HydrophobicContact CZ-CD 4.12Å |
Retrieved 256 of 256 residues in 1137.1 ms
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