| 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 | 33.2 | Very low | 27.1 | Very low | 244 Ų | 244 | 134.2 Ų | 134.2 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 94 | 0 | -72.7 | 172.4 | 154.3 | 0 | 0 | 105.4 | |||||
| 2 | T | 26.2 | Very low | 27.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 91% | 0.908 | 84% | 0.836 | S | S | * | * | -145.2 | 155.4 | 65.3 | 38 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3 | S | 26.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -86.2 | 138.5 | -172.9 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | E | 26.6 | Very low | 28.4 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -133 | 130.4 | 154.8 | -95.9 | -173.5 | 159.3 | 0 | 0 | 109.9 | ||||
| 5 | A | 25.8 | Very low | 29 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -73.7 | 126.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V7 | A5-V7 PolarHBondContact O-N 3.44Å; A5-V7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | A | 26.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -71 | 101.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S8 | A6-S8 PolarHBondContact O-N 2.98Š| ||
| 7 | V | 26 | Very low | 31 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -77.6 | 102.4 | 163.5 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | A5 T9 | A5-V7 PolarHBondContact O-N 3.44Å; A5-V7 VanDerWaalsContact O-N 3.15Å; V7-T9 PolarHBondContact O-N 3.17Å; V7-T9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | S | 25.5 | Very low | 32.6 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -64.6 | 104 | 168.4 | 37.4 | 0 | 0 | 0 | 0 | 109.1 | A6 | A6-S8 PolarHBondContact O-N 2.98Š| ||
| 9 | T | 28 | Very low | 34.3 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 129.3 | 165.4 | 16.6 | 0 | 0 | 0 | 0 | 108.1 | V7 S11 | V7-T9 PolarHBondContact O-N 3.17Å; V7-T9 VanDerWaalsContact O-N 3.12Å; T9-S11 PolarHBondContact O-N 3.44Å | ||
| 10 | P | 26.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -62.3 | 140.2 | 176.2 | -4.3 | 14.2 | 0 | 0 | 0 | 109.5 | ||||
| 11 | S | 27.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -45.6 | 138.4 | 169 | -20 | 0 | 0 | 0 | 0 | 109.7 | T9 T13 | T9-S11 PolarHBondContact O-N 3.44Å; S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact O-N 3.27Å | ||
| 12 | P | 31.2 | Very low | 39.8 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | -66 | 99.2 | 175.7 | 26.6 | -30.2 | 0 | 0 | 0 | 107.7 | S14 | P12-S14 PolarHBondContact O-N 3.09Š| ||
| 13 | T | 31.1 | Very low | 42.2 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -53.3 | 123.5 | 161.9 | 33 | 0 | 0 | 0 | 0 | 106.4 | S11 S15 | S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact O-N 3.27Å; T13-S15 PolarHBondContact O-N 3.42Å | ||
| 14 | S | 37.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 114.4 Ų | 114.4 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | -60 | 85.6 | 174.8 | 41.1 | 0 | 0 | 0 | 0 | 108.9 | P12 S16 | P12-S14 PolarHBondContact O-N 3.09Å; S14-S16 PolarHBondContact O-N 2.85Å | ||
| 15 | S | 37.8 | Very low | 47.6 | Very low | 107 Ų | 107 | 110.4 Ų | 110.4 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -61.8 | 109.5 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 108 | T13 S17 | T13-S15 PolarHBondContact O-N 3.42Å; S15-S17 PolarHBondContact O-N 2.89Å | ||
| 16 | S | 42.8 | Very low | 50.3 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | trans | -62.4 | 89.7 | 168.3 | 54.1 | 0 | 0 | 0 | 0 | 107.9 | S14 T18 | S14-S16 PolarHBondContact O-N 2.85Å; S16-T18 PolarHBondContact O-N 3.4Å; S16-T18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | S | 48.8 | Very low | 53.1 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 52% | 0.517 | 66% | 0.66 | S | S | . | * | trans | -57.6 | 119.4 | 177.6 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | S15 | S15-S17 PolarHBondContact O-N 2.89Š| ||
| 18 | T | 58.8 | Low | 56 | Low | 81 Ų | 81 | 109.3 Ų | 109.3 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | trans | -54.6 | 137.9 | 170.8 | 31.3 | 0 | 0 | 0 | 0 | 109.7 | S16 A20 K21 R22 | S16-T18 PolarHBondContact O-N 3.4Å; S16-T18 VanDerWaalsContact O-N 3.15Å; T18-A20 PolarHBondContact O-N 3.5Å; T18-K21 PolarHBondContact O-N 3.24Å; T18-R22 PolarHBondContact O-N 3.41Å | ||
| 19 | P | 66.3 | Low | 58.8 | Low | 86 Ų | 86 | 104.8 Ų | 104.8 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -51.9 | -37.1 | -173.9 | 13.5 | -26.8 | 0 | 0 | 0 | 113.6 | K21 R22 D23 | P19-K21 PolarHBondContact O-N 2.8Å; P19-R22 WeakPolarHBondContact O-CB 3.46Å; P19-R22 PolarHBondContact O-N 3.24Å; P19-R22 VanDerWaalsContact O-N 3.16Å; P19-D23 PolarHBondContact O-N 3.05Å |
| 20 | A | 69.8 | Low | 61.5 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.7 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T18 Y24 | T18-A20 PolarHBondContact O-N 3.5Å; A20-Y24 WeakPolarHBondContact O-CB 3.2Å; A20-Y24 PolarHBondContact O-N 2.88Å; A20-Y24 VanDerWaalsContact O-N 3.09Å |
| 21 | K | 72.4 | Confident | 64.5 | Low | 150 Ų | 150 | 100 Ų | 100 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.5 | -35.2 | 175.9 | -77.6 | -174 | 176.9 | -178.1 | 0 | 111.5 | T18 P19 Y25 | T18-K21 PolarHBondContact O-N 3.24Å; P19-K21 PolarHBondContact O-N 2.8Å; K21-Y25 WeakPolarHBondContact O-CB 3.28Å; K21-Y25 PolarHBondContact O-N 3.39Å |
| 22 | R | 74.3 | Confident | 67.4 | Low | 140 Ų | 140 | 95.2 Ų | 95.2 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -46 | 177.2 | -167.5 | 179.8 | 72.3 | -177.2 | 0 | 110.8 | T18 P19 Y25 W26 | T18-R22 PolarHBondContact O-N 3.41Å; P19-R22 WeakPolarHBondContact O-CB 3.46Å; P19-R22 PolarHBondContact O-N 3.24Å; P19-R22 VanDerWaalsContact O-N 3.16Å; R22-Y25 PolarHBondContact O-N 3.18Å; R22-W26 PolarHBondContact O-N 3.01Å |
| 23 | D | 78 | Confident | 70.1 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | -179.2 | -63.3 | -18.9 | 0 | 0 | 0 | 111.7 | P19 W26 L27 | P19-D23 PolarHBondContact O-N 3.05Å; D23-W26 PolarHBondContact O-N 3.3Å; D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 3.45Å |
| 24 | Y | 81.9 | Confident | 72.9 | Confident | 137 Ų | 137 | 85 Ų | 85 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 170.8 | 179.4 | -101 | 0 | 0 | 0 | 111.9 | A20 W26 L27 C28 | A20-Y24 WeakPolarHBondContact O-CB 3.2Å; A20-Y24 PolarHBondContact O-N 2.88Å; A20-Y24 VanDerWaalsContact O-N 3.09Å; Y24-W26 PolarHBondContact O-N 3.49Å; Y24-L27 PolarHBondContact O-N 3.09Å; Y24-C28 VanDerWaalsContact CE2-SG 3.57Å; Y24-C28 WeakPolarHBondContact O-CB 3.44Å; Y24-C28 PolarHBondContact O-N 3.11Å; Y24-C28 PolarHBondContact O-SG 3.19Å; Y24-C28 VanDerWaalsContact O-SG 3.33Å |
| 25 | Y | 84.5 | Confident | 75.5 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.4 | -177.9 | -89.1 | 0 | 0 | 0 | 112.9 | K21 R22 S29 L320 | K21-Y25 WeakPolarHBondContact O-CB 3.28Å; K21-Y25 PolarHBondContact O-N 3.39Å; R22-Y25 PolarHBondContact O-N 3.18Å; Y25-S29 VanDerWaalsContact O-CB 3.25Å; Y25-S29 WeakPolarHBondContact O-CB 3.28Å; Y25-S29 PolarHBondContact O-N 3.34Å; Y25-S29 PolarHBondContact O-OG 3.25Å; Y25-L320 HydrophobicContact CD2-CD2 3.52Å; Y25-L320 HydrophobicContact CE2-CB 4.32Å; Y25-L320 HydrophobicContact CE2-CD2 3.85Å; Y25-L320 HydrophobicContact CG-CD2 4.29Å |
| 26 | W | 82.1 | Confident | 78.1 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 64% | 0.644 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 176.7 | -80.8 | 109.9 | 0 | 0 | 0 | 112.2 | R22 D23 Y24 S29 F30 | R22-W26 PolarHBondContact O-N 3.01Å; D23-W26 PolarHBondContact O-N 3.3Å; Y24-W26 PolarHBondContact O-N 3.49Å; W26-S29 PolarHBondContact O-N 3.26Å; W26-F30 WeakPolarHBondContact O-CB 3.36Å; W26-F30 PolarHBondContact O-N 3.23Å |
| 27 | L | 84.7 | Confident | 80.4 | Confident | 110 Ų | 110 | 72.5 Ų | 72.5 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65 | -48.2 | 179 | -178 | 62.9 | 0 | 0 | 0 | 111.3 | D23 Y24 S29 F30 V31 | D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 3.45Å; Y24-L27 PolarHBondContact O-N 3.09Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 2.86Å; L27-F30 WeakPolarHBondContact O-CB 3.35Å; L27-F30 PolarHBondContact O-N 3.15Å; L27-V31 WeakPolarHBondContact O-CG2 3.21Å; L27-V31 PolarHBondContact O-N 2.85Å |
| 28 | C | 87.1 | Confident | 82.5 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 8% | 0.081 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 178.4 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | Y24 V31 A32 L318 L320 | Y24-C28 VanDerWaalsContact CE2-SG 3.57Å; Y24-C28 WeakPolarHBondContact O-CB 3.44Å; Y24-C28 PolarHBondContact O-N 3.11Å; Y24-C28 PolarHBondContact O-SG 3.19Å; Y24-C28 VanDerWaalsContact O-SG 3.33Å; C28-V31 PolarHBondContact O-N 3.11Å; C28-A32 VanDerWaalsContact O-CB 3.26Å; C28-A32 WeakPolarHBondContact O-CB 3.49Å; C28-A32 PolarHBondContact O-N 3.37Å; C28-L318 HydrophobicContact CB-CB 4.5Å; C28-L318 HydrophobicContact CB-CD1 4.08Å; C28-L318 WeakPolarHBondContact O-CD1 3.47Å; C28-L320 HydrophobicContact CB-CD1 3.88Å; C28-L320 HydrophobicContact CB-CD2 3.73Å; C28-L320 HydrophobicContact CB-CG 4.21Å |
| 29 | S | 85.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 174.8 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | Y25 W26 L27 G33 | Y25-S29 VanDerWaalsContact O-CB 3.25Å; Y25-S29 WeakPolarHBondContact O-CB 3.28Å; Y25-S29 PolarHBondContact O-N 3.34Å; Y25-S29 PolarHBondContact O-OG 3.25Å; W26-S29 PolarHBondContact O-N 3.26Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 2.86Å; S29-G33 PolarHBondContact O-N 3.35Å |
| 30 | F | 84.3 | Confident | 85.5 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 36% | 0.36 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.3 | -179.9 | -96.5 | 0 | 0 | 0 | 111.8 | W26 L27 G33 G34 F94 | W26-F30 WeakPolarHBondContact O-CB 3.36Å; W26-F30 PolarHBondContact O-N 3.23Å; L27-F30 WeakPolarHBondContact O-CB 3.35Å; L27-F30 PolarHBondContact O-N 3.15Å; F30-G33 PolarHBondContact O-N 3.4Å; F30-G34 PolarHBondContact O-N 3.03Å; F30-F94 HydrophobicContact CE1-CD1 4.08Å; F30-F94 HydrophobicContact CZ-CD1 4.31Å |
| 31 | V | 87.9 | Confident | 86.7 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L27 C28 G33 G34 V35 | L27-V31 WeakPolarHBondContact O-CG2 3.21Å; L27-V31 PolarHBondContact O-N 2.85Å; C28-V31 PolarHBondContact O-N 3.11Å; V31-G33 VanDerWaalsContact C-N 3.34Å; V31-G33 PolarHBondContact O-N 3.43Å; V31-G34 PolarHBondContact O-N 3.31Å; V31-G34 VanDerWaalsContact O-N 3.17Å; V31-V35 HydrophobicContact CG1-CG2 4.32Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.45Å |
| 32 | A | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C28 A36 Y311 M314 L318 | C28-A32 VanDerWaalsContact O-CB 3.26Å; C28-A32 WeakPolarHBondContact O-CB 3.49Å; C28-A32 PolarHBondContact O-N 3.37Å; A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.19Å; A32-A36 PolarHBondContact O-N 3.47Å; A32-Y311 HydrophobicContact CB-CD2 4.18Å; A32-Y311 HydrophobicContact CB-CE2 4.12Å; A32-M314 HydrophobicContact CB-CB 3.62Å; A32-M314 HydrophobicContact CB-CG 4.48Å; A32-L318 HydrophobicContact CB-CD1 4.11Å |
| 33 | G | 88.5 | Confident | 88.8 | Confident | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S29 F30 V31 G37 | S29-G33 PolarHBondContact O-N 3.35Å; F30-G33 PolarHBondContact O-N 3.4Å; V31-G33 VanDerWaalsContact C-N 3.34Å; V31-G33 PolarHBondContact O-N 3.43Å; G33-G37 PolarHBondContact O-N 3.32Å |
| 34 | G | 89.6 | Confident | 89.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F30 V31 G37 C38 | F30-G34 PolarHBondContact O-N 3.03Å; V31-G34 PolarHBondContact O-N 3.31Å; V31-G34 VanDerWaalsContact O-N 3.17Å; G34-G37 PolarHBondContact O-N 3.31Å; G34-C38 PolarHBondContact O-N 3.08Å; G34-C38 PolarHBondContact O-SG 3.28Å |
| 35 | V | 91.9 | Very high | 90.2 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | V31 G37 C38 C39 T310 M314 | V31-V35 HydrophobicContact CG1-CG2 4.32Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.45Å; V35-G37 VanDerWaalsContact C-N 3.3Å; V35-G37 PolarHBondContact O-N 2.82Å; V35-C38 PolarHBondContact O-N 2.59Å; V35-C38 VanDerWaalsContact O-N 3.15Å; V35-C39 PolarHBondContact O-N 3.06Å; V35-C39 PolarHBondContact O-SG 2.75Å; V35-C39 VanDerWaalsContact O-SG 3.41Å; V35-T310 HydrophobicContact CG1-CG2 4.13Å; V35-M314 HydrophobicContact CB-CE 4.4Å; V35-M314 HydrophobicContact CB-CG 4.4Å; V35-M314 HydrophobicContact CB-SD 4.43Å; V35-M314 HydrophobicContact CG1-CG 4.23Å; V35-M314 HydrophobicContact CG1-SD 4.01Å; V35-M314 HydrophobicContact CG2-CE 4.27Å |
| 36 | A | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A32 A40 T310 | A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.19Å; A32-A36 PolarHBondContact O-N 3.47Å; A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.19Å; A36-A40 PolarHBondContact O-N 2.81Å; A36-T310 HydrophobicContact CB-CG2 4.08Å |
| 37 | G | 91 | Very high | 91.4 | Very high | 23 Ų | 23 | 33 Ų | 33 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G33 G34 V35 A40 K41 | G33-G37 PolarHBondContact O-N 3.32Å; G34-G37 PolarHBondContact O-N 3.31Å; V35-G37 VanDerWaalsContact C-N 3.3Å; V35-G37 PolarHBondContact O-N 2.82Å; G37-A40 PolarHBondContact O-N 2.98Å; G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 WeakPolarHBondContact O-CG 3.37Å; G37-K41 PolarHBondContact O-N 2.7Å |
| 38 | C | 93.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 28 Ų | 28 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.6 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | G34 V35 K41 T42 M90 I93 | G34-C38 PolarHBondContact O-N 3.08Å; G34-C38 PolarHBondContact O-SG 3.28Å; V35-C38 PolarHBondContact O-N 2.59Å; V35-C38 VanDerWaalsContact O-N 3.15Å; C38-K41 PolarHBondContact O-N 3.3Å; C38-T42 WeakPolarHBondContact O-CB 3.35Å; C38-T42 PolarHBondContact O-N 3.33Å; C38-T42 PolarHBondContact O-OG1 3.32Å; C38-M90 HydrophobicContact CB-SD 3.85Å; C38-I93 HydrophobicContact CB-CD1 4.28Å; C38-I93 VanDerWaalsContact SG-CD1 3.6Å |
| 39 | C | 94.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.6 | -50.8 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | V35 K41 T42 T43 T310 | V35-C39 PolarHBondContact O-N 3.06Å; V35-C39 PolarHBondContact O-SG 2.75Å; V35-C39 VanDerWaalsContact O-SG 3.41Å; C39-K41 VanDerWaalsContact C-N 3.34Å; C39-K41 PolarHBondContact O-N 2.89Å; C39-T42 PolarHBondContact O-N 3.43Å; C39-T42 VanDerWaalsContact O-N 3.16Å; C39-T43 PolarHBondContact O-N 3.32Å; C39-T43 PolarHBondContact O-OG1 3.35Å; C39-T43 VanDerWaalsContact O-OG1 3.07Å; C39-T310 HydrophobicContact CB-CG2 4.12Å |
| 40 | A | 93.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A36 G37 I44 S303 M306 A307 | A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.19Å; A36-A40 PolarHBondContact O-N 2.81Å; G37-A40 PolarHBondContact O-N 2.98Å; A40-I44 PolarHBondContact O-N 3.43Å; A40-S303 WeakPolarHBondContact CB-O 3.12Å; A40-M306 HydrophobicContact CB-CB 4.43Å; A40-A307 HydrophobicContact CB-CB 3.86Å |
| 41 | K | 93.5 | Very high | 93.3 | Very high | 63 Ų | 63 | 22.9 Ų | 22.9 | 27% | 0.274 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.8 | -34.1 | 177.9 | -70 | -51.4 | -175.3 | -165 | 0 | 113.2 | G37 C38 C39 I44 A45 M89 M90 I93 | G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 WeakPolarHBondContact O-CG 3.37Å; G37-K41 PolarHBondContact O-N 2.7Å; C38-K41 PolarHBondContact O-N 3.3Å; C39-K41 VanDerWaalsContact C-N 3.34Å; C39-K41 PolarHBondContact O-N 2.89Å; K41-I44 HydrophobicContact CD-CD1 4.04Å; K41-I44 HydrophobicContact CD-CG1 4.47Å; K41-I44 WeakPolarHBondContact O-CG1 3.33Å; K41-I44 PolarHBondContact O-N 2.98Å; K41-A45 PolarHBondContact O-N 3.24Å; K41-A45 VanDerWaalsContact O-N 3.07Å; K41-M89 HydrophobicContact CB-CG 4.34Å; K41-M89 HydrophobicContact CD-CE 3.61Å; K41-M89 VanDerWaalsContact CE-CE 3.47Å; K41-M89 HydrophobicContact CG-CE 3.73Å; K41-M89 HydrophobicContact CG-CG 4.48Å; K41-M90 HydrophobicContact CB-CE 3.56Å; K41-I93 HydrophobicContact CB-CD1 4.16Å; K41-I93 HydrophobicContact CG-CD1 3.96Å |
| 42 | T | 95.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.1 | -43 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | C38 C39 I44 A45 Y83 N86 | C38-T42 WeakPolarHBondContact O-CB 3.35Å; C38-T42 PolarHBondContact O-N 3.33Å; C38-T42 PolarHBondContact O-OG1 3.32Å; C39-T42 PolarHBondContact O-N 3.43Å; C39-T42 VanDerWaalsContact O-N 3.16Å; T42-I44 VanDerWaalsContact C-N 3.27Å; T42-I44 PolarHBondContact O-N 3.35Å; T42-A45 VanDerWaalsContact O-CB 3.29Å; T42-A45 WeakPolarHBondContact O-CB 2.92Å; T42-A45 PolarHBondContact O-N 3.16Å; T42-A45 VanDerWaalsContact O-N 3.09Å; T42-Y83 HydrophobicContact CG2-CD1 4.4Å; T42-Y83 HydrophobicContact CG2-CE1 3.95Å; T42-Y83 WeakPolarHBondContact O-CE1 3.36Å; T42-N86 PolarHBondContact OG1-ND2 3.31Å |
| 43 | T | 95.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 20.1 Ų | 20.1 | 35% | 0.35 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57 | -38.8 | 176.8 | -57 | 0 | 0 | 0 | 0 | 112.8 | C39 P302 M306 | C39-T43 PolarHBondContact O-N 3.32Å; C39-T43 PolarHBondContact O-OG1 3.35Å; C39-T43 VanDerWaalsContact O-OG1 3.07Å; T43-P302 HydrophobicContact CG2-CB 4.16Å; T43-M306 HydrophobicContact CG2-CG 3.88Å; T43-M306 WeakPolarHBondContact OG1-CG 3.27Å |
| 44 | I | 95.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -92.1 | -2.5 | 179.8 | 66.9 | 167.2 | 0 | 0 | 0 | 114.3 | A40 K41 T42 P46 L47 D48 R299 P302 | A40-I44 PolarHBondContact O-N 3.43Å; K41-I44 HydrophobicContact CD-CD1 4.04Å; K41-I44 HydrophobicContact CD-CG1 4.47Å; K41-I44 WeakPolarHBondContact O-CG1 3.33Å; K41-I44 PolarHBondContact O-N 2.98Å; T42-I44 VanDerWaalsContact C-N 3.27Å; T42-I44 PolarHBondContact O-N 3.35Å; I44-P46 VanDerWaalsContact C-CD 3.47Å; I44-P46 VanDerWaalsContact C-N 3.34Å; I44-L47 PolarHBondContact O-N 3.3Å; I44-D48 PolarHBondContact O-N 3.42Å; I44-R299 HydrophobicContact CB-CB 4.29Å; I44-R299 HydrophobicContact CG2-CB 4.12Å; I44-R299 WeakPolarHBondContact CG2-O 3.47Å; I44-P302 HydrophobicContact CG2-CB 4.45Å |
| 45 | A | 95.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.6 | -40.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K41 T42 L47 D48 R49 Y83 N86 | K41-A45 PolarHBondContact O-N 3.24Å; K41-A45 VanDerWaalsContact O-N 3.07Å; T42-A45 VanDerWaalsContact O-CB 3.29Å; T42-A45 WeakPolarHBondContact O-CB 2.92Å; T42-A45 PolarHBondContact O-N 3.16Å; T42-A45 VanDerWaalsContact O-N 3.09Å; A45-L47 PolarHBondContact O-N 3.36Å; A45-D48 PolarHBondContact O-N 3.03Å; A45-R49 PolarHBondContact O-N 2.89Å; A45-Y83 HydrophobicContact CB-CD1 3.79Å; A45-Y83 HydrophobicContact CB-CE1 4.09Å; A45-N86 HydrophobicContact CB-CB 4.12Å; A45-N86 WeakPolarHBondContact CB-OD1 3.43Å |
| 46 | P | 96.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 16 Ų | 16 | 7% | 0.071 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 173.6 | -29.6 | 39 | 0 | 0 | 0 | 114 | I44 R49 V50 F70 L82 Y83 | I44-P46 VanDerWaalsContact C-CD 3.47Å; I44-P46 VanDerWaalsContact C-N 3.34Å; P46-R49 PolarHBondContact O-N 2.92Å; P46-V50 WeakPolarHBondContact O-CG2 3.41Å; P46-V50 PolarHBondContact O-N 3.07Å; P46-V50 VanDerWaalsContact O-N 3.11Å; P46-F70 HydrophobicContact CB-CE2 3.89Å; P46-L82 HydrophobicContact CB-CB 3.94Å; P46-L82 HydrophobicContact CB-CD1 4.16Å; P46-L82 HydrophobicContact CB-CD2 4.26Å; P46-L82 HydrophobicContact CB-CG 4.35Å; P46-L82 HydrophobicContact CG-CB 4.17Å; P46-Y83 HydrophobicContact CG-CE1 4.05Å; P46-Y83 HydrophobicContact CG-CE2 3.89Å |
| 47 | L | 95.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 16.6 Ų | 16.6 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | -179.9 | -60.2 | 179.2 | 0 | 0 | 0 | 111.1 | I44 A45 R49 V50 K51 F70 L295 I298 R299 | I44-L47 PolarHBondContact O-N 3.3Å; A45-L47 PolarHBondContact O-N 3.36Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.37Å; L47-V50 PolarHBondContact O-N 3.48Å; L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 2.93Å; L47-F70 HydrophobicContact CD2-CD2 4.25Å; L47-F70 HydrophobicContact CD2-CE2 4.12Å; L47-L295 HydrophobicContact CB-CD2 4.31Å; L47-L295 HydrophobicContact CD2-CD2 3.87Å; L47-I298 HydrophobicContact CD1-CG2 4.06Å; L47-R299 HydrophobicContact CB-CB 4.47Å; L47-R299 HydrophobicContact CD1-CB 3.86Å |
| 48 | D | 94.5 | Very high | 94 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.6 | -85.6 | -7.1 | 0 | 0 | 0 | 111.6 | I44 A45 K51 I52 R145 R299 | I44-D48 PolarHBondContact O-N 3.42Å; A45-D48 PolarHBondContact O-N 3.03Å; D48-K51 PolarHBondContact O-N 3.4Å; D48-I52 WeakPolarHBondContact O-CG1 3.43Å; D48-I52 PolarHBondContact O-N 3Å; D48-R145 VanDerWaalsContact CB-NH2 3.31Å; D48-R145 IonicContact OD2-CZ 2.81Å; D48-R145 IonicContact OD2-NH1 2.7Å; D48-R145 IonicContact OD2-NH2 3.95Å; D48-R145 PolarHBondContact OD2-NH2 2.92Å; D48-R299 WeakPolarHBondContact OD1-CD 3.26Å; D48-R299 IonicContact OD1-CZ 2.75Å; D48-R299 IonicContact OD1-NE 3.75Å; D48-R299 IonicContact OD1-NH1 3.22Å; D48-R299 PolarHBondContact OD1-NH1 3.45Å; D48-R299 IonicContact OD2-NH1 3.99Å |
| 49 | R | 95.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -49.3 | 175.4 | -172 | -176.3 | -176.1 | -141.9 | -0.1 | 111.5 | A45 P46 L47 K51 I52 L53 E77 G81 L82 A149 Q151 | A45-R49 PolarHBondContact O-N 2.89Å; P46-R49 PolarHBondContact O-N 2.92Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.37Å; R49-K51 PolarHBondContact O-N 3.43Å; R49-I52 PolarHBondContact O-N 3.24Å; R49-I52 VanDerWaalsContact O-N 3.09Å; R49-L53 HydrophobicContact CG-CD1 4.25Å; R49-L53 WeakPolarHBondContact O-CG 3.22Å; R49-L53 PolarHBondContact O-N 3.31Å; R49-E77 IonicContact CZ-OE1 2.77Å; R49-E77 VanDerWaalsContact CZ-OE1 3.24Å; R49-E77 IonicContact CZ-OE2 3.2Å; R49-E77 IonicContact NH1-OE1 2.82Å; R49-E77 PolarHBondContact NH1-OE1 3.16Å; R49-E77 IonicContact NH1-OE2 2.82Å; R49-E77 PolarHBondContact NH1-OE2 3.28Å; R49-E77 IonicContact NH2-OE1 3.72Å; R49-E77 PolarHBondContact NH2-OE1 3.35Å; R49-E77 IonicContact NH2-OE2 3.22Å; R49-E77 PolarHBondContact NH2-OE2 3.33Å; R49-G81 WeakPolarHBondContact CD-O 3.33Å; R49-G81 PolarHBondContact NE-O 3.29Å; R49-G81 PolarHBondContact NH1-O 2.91Å; R49-L82 WeakPolarHBondContact CB-O 3.12Å; R49-L82 WeakPolarHBondContact CD-O 3.25Å; R49-A149 HydrophobicContact CG-CB 4.37Å; R49-A149 PolarHBondContact NE-O 2.91Å; R49-Q151 PolarHBondContact NH2-O 3.07Å |
| 50 | V | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 178 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | P46 L47 I52 L53 L54 T69 F70 L82 L295 | P46-V50 WeakPolarHBondContact O-CG2 3.41Å; P46-V50 PolarHBondContact O-N 3.07Å; P46-V50 VanDerWaalsContact O-N 3.11Å; L47-V50 PolarHBondContact O-N 3.48Å; V50-I52 PolarHBondContact O-N 3.36Å; V50-L53 PolarHBondContact O-N 3.38Å; V50-L54 HydrophobicContact CG1-CD1 3.71Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CB 3.47Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.3Å; V50-L54 PolarHBondContact O-N 3.17Å; V50-T69 HydrophobicContact CG1-CG2 3.88Å; V50-T69 HydrophobicContact CG2-CG2 4.47Å; V50-F70 HydrophobicContact CG2-CB 4.22Å; V50-F70 HydrophobicContact CG2-CD2 4.07Å; V50-L82 HydrophobicContact CG2-CD2 4.08Å; V50-L295 HydrophobicContact CB-CD1 4.28Å; V50-L295 HydrophobicContact CG1-CD1 3.91Å |
| 51 | K | 95.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.2 | -176.7 | -179 | 175 | -175.2 | 0 | 111.3 | L47 D48 R49 L54 Q55 D251 L295 N296 | L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 2.93Å; D48-K51 PolarHBondContact O-N 3.4Å; R49-K51 PolarHBondContact O-N 3.43Å; K51-L54 PolarHBondContact O-N 3.45Å; K51-Q55 HydrophobicContact CG-CG 4.24Å; K51-Q55 WeakPolarHBondContact O-CB 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.47Å; K51-Q55 PolarHBondContact O-N 2.91Å; K51-D251 IonicContact NZ-OD2 2.89Å; K51-D251 PolarHBondContact NZ-OD2 3.4Å; K51-L295 HydrophobicContact CB-CB 4.38Å; K51-L295 HydrophobicContact CB-CD1 3.76Å; K51-N296 PolarHBondContact NZ-ND2 3.12Å; K51-N296 PolarHBondContact NZ-OD1 3.34Å |
| 52 | I | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | -179.7 | -69.3 | 165.3 | 0 | 0 | 0 | 111.3 | D48 R49 V50 L54 G56 A149 F150 L259 | D48-I52 WeakPolarHBondContact O-CG1 3.43Å; D48-I52 PolarHBondContact O-N 3Å; R49-I52 PolarHBondContact O-N 3.24Å; R49-I52 VanDerWaalsContact O-N 3.09Å; V50-I52 PolarHBondContact O-N 3.36Å; I52-L54 VanDerWaalsContact C-N 3.32Å; I52-L54 PolarHBondContact O-N 3.04Å; I52-G56 PolarHBondContact O-N 3.34Å; I52-A149 HydrophobicContact CB-CB 4.36Å; I52-A149 HydrophobicContact CD1-CB 3.59Å; I52-A149 HydrophobicContact CG2-CB 4.13Å; I52-F150 HydrophobicContact CG2-CB 4.14Å; I52-L259 HydrophobicContact CG2-CD2 4.41Å |
| 53 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 178.3 | -69.7 | 171.3 | 0 | 0 | 0 | 112 | R49 V50 Q57 N58 Y61 V73 F150 V152 | R49-L53 HydrophobicContact CG-CD1 4.25Å; R49-L53 WeakPolarHBondContact O-CG 3.22Å; R49-L53 PolarHBondContact O-N 3.31Å; V50-L53 PolarHBondContact O-N 3.38Å; L53-Q57 PolarHBondContact O-N 3.22Å; L53-N58 HydrophobicContact CB-CB 4.45Å; L53-N58 HydrophobicContact CD2-CB 4.02Å; L53-N58 PolarHBondContact O-N 3.12Å; L53-Y61 HydrophobicContact CD1-CD2 4.07Å; L53-Y61 HydrophobicContact CD1-CE2 4.19Å; L53-Y61 HydrophobicContact CD2-CD2 4.3Å; L53-V73 HydrophobicContact CD1-CG2 3.86Å; L53-F150 HydrophobicContact CD2-CD2 4.49Å; L53-F150 WeakPolarHBondContact CD2-O 3.41Å; L53-V152 HydrophobicContact CD2-CG2 4.18Å |
| 54 | L | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.7 | -46.4 | -179.2 | -70.5 | 172.1 | 0 | 0 | 0 | 112.4 | V50 K51 I52 G56 Q57 L64 V66 T69 R291 L295 | V50-L54 HydrophobicContact CG1-CD1 3.71Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CB 3.47Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.3Å; V50-L54 PolarHBondContact O-N 3.17Å; K51-L54 PolarHBondContact O-N 3.45Å; I52-L54 VanDerWaalsContact C-N 3.32Å; I52-L54 PolarHBondContact O-N 3.04Å; L54-G56 VanDerWaalsContact C-N 3.29Å; L54-G56 PolarHBondContact O-N 3.33Å; L54-Q57 PolarHBondContact O-N 3.04Å; L54-Q57 VanDerWaalsContact O-N 3.07Å; L54-L64 WeakPolarHBondContact CD2-O 3.11Å; L54-V66 HydrophobicContact CD1-CB 4.33Å; L54-V66 HydrophobicContact CD1-CG2 3.76Å; L54-T69 HydrophobicContact CD2-CG2 4.47Å; L54-T69 WeakPolarHBondContact CD2-OG1 3.5Å; L54-T69 HydrophobicContact CG-CG2 4.44Å; L54-R291 HydrophobicContact CB-CG 4.08Å; L54-R291 VanDerWaalsContact O-CD 3.23Å; L54-R291 WeakPolarHBondContact O-CD 3.16Å; L54-R291 PolarHBondContact O-NE 2.86Å; L54-L295 HydrophobicContact CD1-CD1 4.32Å |
| 55 | Q | 92.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 177.7 | -72.7 | -174.9 | -39.9 | 0 | 0 | 112.1 | K51 Q57 Y248 V252 R255 R291 | K51-Q55 HydrophobicContact CG-CG 4.24Å; K51-Q55 WeakPolarHBondContact O-CB 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.47Å; K51-Q55 PolarHBondContact O-N 2.91Å; Q55-Q57 PolarHBondContact O-N 2.97Å; Q55-Y248 PolarHBondContact NE2-OH 2.86Å; Q55-V252 HydrophobicContact CG-CG2 4.27Å; Q55-R255 HydrophobicContact CB-CB 4.2Å; Q55-R255 HydrophobicContact CB-CG 4.46Å; Q55-R291 WeakPolarHBondContact CG-O 3.33Å |
| 56 | G | 89.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I52 L54 N58 L263 | I52-G56 PolarHBondContact O-N 3.34Å; L54-G56 VanDerWaalsContact C-N 3.29Å; L54-G56 PolarHBondContact O-N 3.33Å; G56-N58 VanDerWaalsContact C-N 3.3Å; G56-N58 PolarHBondContact O-N 3.34Å; G56-L263 WeakPolarHBondContact O-CD2 2.99Å |
| 57 | Q | 89.6 | Confident | 91.9 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 45.5 | -175.8 | -61 | -76.9 | -18 | 0 | 0 | 112.1 | L53 L54 Q55 Y283 R287 R291 | L53-Q57 PolarHBondContact O-N 3.22Å; L54-Q57 PolarHBondContact O-N 3.04Å; L54-Q57 VanDerWaalsContact O-N 3.07Å; Q55-Q57 PolarHBondContact O-N 2.97Å; Q57-Y283 HydrophobicContact CG-CD1 4.46Å; Q57-Y283 HydrophobicContact CG-CD2 4.25Å; Q57-Y283 HydrophobicContact CG-CE1 4.13Å; Q57-Y283 HydrophobicContact CG-CE2 3.89Å; Q57-R287 PolarHBondContact NE2-O 2.91Å; Q57-R291 VanDerWaalsContact CD-NH1 3.26Å; Q57-R291 VanDerWaalsContact NE2-CD 3.31Å |
| 58 | N | 89.4 | Confident | 91.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | trans | -53.9 | 130.1 | -176.2 | -173.3 | -71 | 0 | 0 | 0 | 110.9 | L53 G56 H60 Y61 K62 F150 | L53-N58 HydrophobicContact CB-CB 4.45Å; L53-N58 HydrophobicContact CD2-CB 4.02Å; L53-N58 PolarHBondContact O-N 3.12Å; G56-N58 VanDerWaalsContact C-N 3.3Å; G56-N58 PolarHBondContact O-N 3.34Å; N58-H60 PolarHBondContact O-N 3.05Å; N58-H60 WeakPolarHBondContact OD1-CB 3.39Å; N58-H60 PolarHBondContact OD1-N 3.5Å; N58-H60 PolarHBondContact OD1-ND1 3.13Å; N58-Y61 CarbonylContact O-C 3.36Å; N58-Y61 PolarHBondContact O-N 2.91Å; N58-K62 VanDerWaalsContact O-CB 3.3Å; N58-K62 WeakPolarHBondContact O-CB 3.49Å; N58-K62 PolarHBondContact O-N 3.49Å; N58-F150 HydrophobicContact CB-CD2 4.24Å; N58-F150 HydrophobicContact CB-CE2 3.56Å; N58-F150 HydrophobicContact CB-CZ 3.94Å; N58-F150 PolarHBondContact ND2-O 2.97Å | ||
| 59 | P | 87.8 | Confident | 91.8 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 43% | 0.429 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -36 | -175.9 | -29.7 | 35.6 | 0 | 0 | 0 | 114.8 | ||
| 60 | H | 87.5 | Confident | 91.8 | Very high | 77 Ų | 77 | 38.8 Ų | 38.8 | 36% | 0.356 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22.1 | -177.3 | -59.7 | 92.4 | 0 | 0 | 0 | 114.1 | N58 H63 | N58-H60 PolarHBondContact O-N 3.05Å; N58-H60 WeakPolarHBondContact OD1-CB 3.39Å; N58-H60 PolarHBondContact OD1-N 3.5Å; N58-H60 PolarHBondContact OD1-ND1 3.13Å; H60-H63 PolarHBondContact O-CE1 3.06Å; H60-H63 VanDerWaalsContact O-CE1 3.31Å |
| 61 | Y | 89.6 | Confident | 91.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -3.4 | -171.8 | -59.7 | -70.3 | 0 | 0 | 0 | 113.6 | L53 N58 H63 L64 T69 A72 V73 K76 E77 V152 | L53-Y61 HydrophobicContact CD1-CD2 4.07Å; L53-Y61 HydrophobicContact CD1-CE2 4.19Å; L53-Y61 HydrophobicContact CD2-CD2 4.3Å; N58-Y61 CarbonylContact O-C 3.36Å; N58-Y61 PolarHBondContact O-N 2.91Å; Y61-H63 PolarHBondContact O-N 3.24Å; Y61-H63 VanDerWaalsContact O-N 3.08Å; Y61-L64 HydrophobicContact CD1-CD1 4.09Å; Y61-L64 PolarHBondContact O-N 2.97Å; Y61-T69 HydrophobicContact CD1-CG2 4.05Å; Y61-T69 HydrophobicContact CG-CG2 4.08Å; Y61-A72 HydrophobicContact CD1-CB 4.39Å; Y61-A72 HydrophobicContact CE1-CB 4.02Å; Y61-V73 HydrophobicContact CD1-CG2 4.47Å; Y61-V73 HydrophobicContact CE1-CG2 3.87Å; Y61-V73 HydrophobicContact CE2-CG2 4.16Å; Y61-K76 HydrophobicContact CE1-CD 4.12Å; Y61-E77 PolarHBondContact OH-OE1 2.9Å; Y61-V152 HydrophobicContact CD2-CG2 4.29Å; Y61-V152 HydrophobicContact CE2-CG1 3.94Å; Y61-V152 HydrophobicContact CE2-CG2 3.75Å |
| 62 | K | 87.5 | Confident | 91.7 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | -176.4 | 66.1 | 178.5 | 179.1 | 179.7 | 0 | 114.2 | N58 R291 | N58-K62 VanDerWaalsContact O-CB 3.3Å; N58-K62 WeakPolarHBondContact O-CB 3.49Å; N58-K62 PolarHBondContact O-N 3.49Å; K62-R291 VanDerWaalsContact C-NH2 3.3Å; K62-R291 VanDerWaalsContact O-CZ 3.28Å; K62-R291 PolarHBondContact O-NH1 3.45Å; K62-R291 PolarHBondContact O-NH2 3.02Å |
| 63 | H | 88.5 | Confident | 91.6 | Very high | 135 Ų | 135 | 43.2 Ų | 43.2 | 63% | 0.625 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.1 | 178.2 | 61.4 | -83.4 | 0 | 0 | 0 | 113.4 | H60 Y61 | H60-H63 PolarHBondContact O-CE1 3.06Å; H60-H63 VanDerWaalsContact O-CE1 3.31Å; Y61-H63 PolarHBondContact O-N 3.24Å; Y61-H63 VanDerWaalsContact O-N 3.08Å |
| 64 | L | 91 | Very high | 91.6 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -95.7 | 152.3 | -174.6 | -61.6 | -177.7 | 0 | 0 | 0 | 112.9 | L54 Y61 T69 A72 R291 | L54-L64 WeakPolarHBondContact CD2-O 3.11Å; Y61-L64 HydrophobicContact CD1-CD1 4.09Å; Y61-L64 PolarHBondContact O-N 2.97Å; L64-T69 WeakPolarHBondContact CB-OG1 3.38Å; L64-A72 HydrophobicContact CD1-CB 3.69Å; L64-R291 PolarHBondContact O-NH2 2.81Å |
| 65 | G | 91.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | trans | -77.4 | -178.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T69 | G65-T69 VanDerWaalsContact O-CB 3.29Å; G65-T69 WeakPolarHBondContact O-CB 3.45Å; G65-T69 PolarHBondContact O-N 3.15Å; G65-T69 PolarHBondContact O-OG1 3.36Å | ||
| 66 | V | 92.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -56.3 | -179.1 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L54 T69 F70 L295 | L54-V66 HydrophobicContact CD1-CB 4.33Å; L54-V66 HydrophobicContact CD1-CG2 3.76Å; V66-T69 PolarHBondContact O-N 3.42Å; V66-F70 PolarHBondContact O-N 3.34Å; V66-L295 HydrophobicContact CG1-CD1 3.97Å; V66-L295 HydrophobicContact CG1-CD2 3.47Å; V66-L295 VanDerWaalsContact CG1-CD2 3.47Å; V66-L295 HydrophobicContact CG1-CG 3.63Å; V66-L295 HydrophobicContact CG2-CD1 4.32Å; V66-L295 HydrophobicContact CG2-CG 4.38Å |
| 67 | F | 93.7 | Very high | 91.5 | Very high | 149 Ų | 149 | 59.8 Ų | 59.8 | 65% | 0.654 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | -178.1 | -175.7 | -101.1 | 0 | 0 | 0 | 111.9 | T69 F70 M71 | F67-T69 VanDerWaalsContact C-N 3.3Å; F67-T69 PolarHBondContact O-N 3.11Å; F67-F70 PolarHBondContact O-N 3.27Å; F67-M71 HydrophobicContact CD1-CG 4.45Å; F67-M71 HydrophobicContact CE1-CG 4.09Å; F67-M71 HydrophobicContact CE2-CE 3.69Å; F67-M71 HydrophobicContact CZ-CE 3.71Å; F67-M71 HydrophobicContact CZ-CG 4.13Å; F67-M71 PolarHBondContact O-N 2.89Å |
| 68 | S | 93.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.5 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | M71 A72 | S68-M71 PolarHBondContact O-N 3.02Å; S68-A72 WeakPolarHBondContact O-CB 3.38Å; S68-A72 PolarHBondContact O-N 3.29Å |
| 69 | T | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V50 L54 Y61 L64 G65 V66 F67 M71 A72 V73 | V50-T69 HydrophobicContact CG1-CG2 3.88Å; V50-T69 HydrophobicContact CG2-CG2 4.47Å; L54-T69 HydrophobicContact CD2-CG2 4.47Å; L54-T69 WeakPolarHBondContact CD2-OG1 3.5Å; L54-T69 HydrophobicContact CG-CG2 4.44Å; Y61-T69 HydrophobicContact CD1-CG2 4.05Å; Y61-T69 HydrophobicContact CG-CG2 4.08Å; L64-T69 WeakPolarHBondContact CB-OG1 3.38Å; G65-T69 VanDerWaalsContact O-CB 3.29Å; G65-T69 WeakPolarHBondContact O-CB 3.45Å; G65-T69 PolarHBondContact O-N 3.15Å; G65-T69 PolarHBondContact O-OG1 3.36Å; V66-T69 PolarHBondContact O-N 3.42Å; F67-T69 VanDerWaalsContact C-N 3.3Å; F67-T69 PolarHBondContact O-N 3.11Å; T69-M71 PolarHBondContact O-N 3.25Å; T69-A72 PolarHBondContact O-N 3.23Å; T69-V73 HydrophobicContact CG2-CG2 4.19Å; T69-V73 WeakPolarHBondContact O-CG2 3.18Å; T69-V73 PolarHBondContact O-N 3.32Å |
| 70 | F | 94.8 | Very high | 91.9 | Very high | 65 Ų | 65 | 69 Ų | 69 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 176.4 | -176.7 | -92.9 | 0 | 0 | 0 | 112.1 | P46 L47 V50 V66 F67 P74 L82 | P46-F70 HydrophobicContact CB-CE2 3.89Å; L47-F70 HydrophobicContact CD2-CD2 4.25Å; L47-F70 HydrophobicContact CD2-CE2 4.12Å; V50-F70 HydrophobicContact CG2-CB 4.22Å; V50-F70 HydrophobicContact CG2-CD2 4.07Å; V66-F70 PolarHBondContact O-N 3.34Å; F67-F70 PolarHBondContact O-N 3.27Å; F70-P74 WeakPolarHBondContact O-CD 3.24Å; F70-L82 HydrophobicContact CD2-CD2 4.45Å; F70-L82 HydrophobicContact CE2-CD1 4.4Å |
| 71 | M | 94.8 | Very high | 92.1 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -81 | -29.3 | 176.3 | -66 | -60.1 | 170.2 | 0 | 0 | 113.7 | F67 S68 T69 K75 | F67-M71 HydrophobicContact CD1-CG 4.45Å; F67-M71 HydrophobicContact CE1-CG 4.09Å; F67-M71 HydrophobicContact CE2-CE 3.69Å; F67-M71 HydrophobicContact CZ-CE 3.71Å; F67-M71 HydrophobicContact CZ-CG 4.13Å; F67-M71 PolarHBondContact O-N 2.89Å; S68-M71 PolarHBondContact O-N 3.02Å; T69-M71 PolarHBondContact O-N 3.25Å; M71-K75 WeakPolarHBondContact O-CG 3.36Å |
| 72 | A | 93.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 66.1 Ų | 66.1 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.8 | -31.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y61 L64 S68 T69 K75 K76 | Y61-A72 HydrophobicContact CD1-CB 4.39Å; Y61-A72 HydrophobicContact CE1-CB 4.02Å; L64-A72 HydrophobicContact CD1-CB 3.69Å; S68-A72 WeakPolarHBondContact O-CB 3.38Å; S68-A72 PolarHBondContact O-N 3.29Å; T69-A72 PolarHBondContact O-N 3.23Å; A72-K75 PolarHBondContact O-N 3.31Å; A72-K76 PolarHBondContact O-N 3.1Å; A72-K76 VanDerWaalsContact O-N 3.07Å |
| 73 | V | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -52 | -178.9 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | L53 Y61 T69 K75 K76 E77 L82 | L53-V73 HydrophobicContact CD1-CG2 3.86Å; Y61-V73 HydrophobicContact CD1-CG2 4.47Å; Y61-V73 HydrophobicContact CE1-CG2 3.87Å; Y61-V73 HydrophobicContact CE2-CG2 4.16Å; T69-V73 HydrophobicContact CG2-CG2 4.19Å; T69-V73 WeakPolarHBondContact O-CG2 3.18Å; T69-V73 PolarHBondContact O-N 3.32Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.34Å; V73-K76 PolarHBondContact O-N 3.31Å; V73-E77 WeakPolarHBondContact O-CB 3.31Å; V73-E77 PolarHBondContact O-N 2.95Å; V73-L82 HydrophobicContact CB-CD2 3.92Å; V73-L82 HydrophobicContact CG1-CD2 3.61Å; V73-L82 HydrophobicContact CG1-CG 3.9Å |
| 74 | P | 94.5 | Very high | 92.8 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | 176.1 | -27.3 | 36.4 | 0 | 0 | 0 | 113.6 | F70 K76 G78 L82 | F70-P74 WeakPolarHBondContact O-CD 3.24Å; P74-K76 PolarHBondContact O-N 2.83Å; P74-G78 CarbonylContact O-C 3.57Å; P74-G78 WeakPolarHBondContact O-CA 3.19Å; P74-G78 PolarHBondContact O-N 2.9Å; P74-L82 HydrophobicContact CG-CD1 3.57Å; P74-L82 HydrophobicContact CG-CG 4.04Å |
| 75 | K | 92.4 | Very high | 92.7 | Very high | 182 Ų | 182 | 59.8 Ų | 59.8 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | 179 | -68.9 | -178.6 | -179.9 | -171.5 | 0 | 112.7 | M71 A72 V73 | M71-K75 WeakPolarHBondContact O-CG 3.36Å; A72-K75 PolarHBondContact O-N 3.31Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.34Å |
| 76 | K | 90.5 | Very high | 92.8 | Very high | 121 Ų | 121 | 58.9 Ų | 58.9 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -89.1 | -37.2 | -178.9 | -70 | -172.8 | 177.7 | -174.6 | 0 | 113.6 | Y61 A72 V73 P74 | Y61-K76 HydrophobicContact CE1-CD 4.12Å; A72-K76 PolarHBondContact O-N 3.1Å; A72-K76 VanDerWaalsContact O-N 3.07Å; V73-K76 PolarHBondContact O-N 3.31Å; P74-K76 PolarHBondContact O-N 2.83Å |
| 77 | E | 91.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -115.7 | -9.3 | -168.9 | -56.5 | -171.4 | -106.6 | 0 | 0 | 114.1 | R49 Y61 V73 R84 V152 K153 | R49-E77 IonicContact CZ-OE1 2.77Å; R49-E77 VanDerWaalsContact CZ-OE1 3.24Å; R49-E77 IonicContact CZ-OE2 3.2Å; R49-E77 IonicContact NH1-OE1 2.82Å; R49-E77 PolarHBondContact NH1-OE1 3.16Å; R49-E77 IonicContact NH1-OE2 2.82Å; R49-E77 PolarHBondContact NH1-OE2 3.28Å; R49-E77 IonicContact NH2-OE1 3.72Å; R49-E77 PolarHBondContact NH2-OE1 3.35Å; R49-E77 IonicContact NH2-OE2 3.22Å; R49-E77 PolarHBondContact NH2-OE2 3.33Å; Y61-E77 PolarHBondContact OH-OE1 2.9Å; V73-E77 WeakPolarHBondContact O-CB 3.31Å; V73-E77 PolarHBondContact O-N 2.95Å; E77-R84 IonicContact OE2-CZ 3.88Å; E77-R84 IonicContact OE2-NE 2.82Å; E77-V152 HydrophobicContact CG-CG1 4.08Å; E77-V152 WeakPolarHBondContact OE2-CA 3.41Å; E77-K153 HydrophobicContact CB-CB 4.08Å; E77-K153 HydrophobicContact CG-CB 3.75Å; E77-K153 PolarHBondContact OE2-N 3.32Å |
| 78 | G | 92.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | trans | 84.9 | 164 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P74 L80 G81 | P74-G78 CarbonylContact O-C 3.57Å; P74-G78 WeakPolarHBondContact O-CA 3.19Å; P74-G78 PolarHBondContact O-N 2.9Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.05Å; G78-G81 WeakPolarHBondContact O-CA 3.46Å; G78-G81 PolarHBondContact O-N 3.14Å | ||
| 79 | V | 91.9 | Very high | 92.6 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.3 | -41.3 | -177.6 | 180 | 0 | 0 | 0 | 0 | 111.8 | G81 L82 | V79-G81 PolarHBondContact O-N 3.2Å; V79-G81 VanDerWaalsContact O-N 3.16Å; V79-L82 WeakPolarHBondContact O-CB 3.27Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-L82 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 91.2 | Very high | 92.6 | Very high | 148 Ų | 148 | 51.1 Ų | 51.1 | 78% | 0.775 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -63.3 | -20.1 | 176.1 | -67.5 | 176.8 | 0 | 0 | 0 | 113.1 | G78 L82 Y83 | G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.05Å; L80-L82 PolarHBondContact O-N 3.09Å; L80-Y83 PolarHBondContact O-N 3.39Å; L80-Y83 VanDerWaalsContact O-N 3.1Å |
| 81 | G | 90.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -53.3 | -44.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R49 G78 V79 Y83 R84 | R49-G81 WeakPolarHBondContact CD-O 3.33Å; R49-G81 PolarHBondContact NE-O 3.29Å; R49-G81 PolarHBondContact NH1-O 2.91Å; G78-G81 WeakPolarHBondContact O-CA 3.46Å; G78-G81 PolarHBondContact O-N 3.14Å; V79-G81 PolarHBondContact O-N 3.2Å; V79-G81 VanDerWaalsContact O-N 3.16Å; G81-Y83 PolarHBondContact O-N 2.97Å; G81-R84 WeakPolarHBondContact O-CG 3.21Å; G81-R84 PolarHBondContact O-N 3.28Å |
| 82 | L | 93.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.6 | -22.3 | -179.3 | -75.2 | 170.1 | 0 | 0 | 0 | 114 | P46 R49 V50 F70 V73 P74 V79 L80 | P46-L82 HydrophobicContact CB-CB 3.94Å; P46-L82 HydrophobicContact CB-CD1 4.16Å; P46-L82 HydrophobicContact CB-CD2 4.26Å; P46-L82 HydrophobicContact CB-CG 4.35Å; P46-L82 HydrophobicContact CG-CB 4.17Å; R49-L82 WeakPolarHBondContact CB-O 3.12Å; R49-L82 WeakPolarHBondContact CD-O 3.25Å; V50-L82 HydrophobicContact CG2-CD2 4.08Å; F70-L82 HydrophobicContact CD2-CD2 4.45Å; F70-L82 HydrophobicContact CE2-CD1 4.4Å; V73-L82 HydrophobicContact CB-CD2 3.92Å; V73-L82 HydrophobicContact CG1-CD2 3.61Å; V73-L82 HydrophobicContact CG1-CG 3.9Å; P74-L82 HydrophobicContact CG-CD1 3.57Å; P74-L82 HydrophobicContact CG-CG 4.04Å; V79-L82 WeakPolarHBondContact O-CB 3.27Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-L82 VanDerWaalsContact O-N 3.12Å; L80-L82 PolarHBondContact O-N 3.09Å |
| 83 | Y | 94.8 | Very high | 92 | Very high | 88 Ų | 88 | 50 Ų | 50 | 35% | 0.345 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -96.7 | 7.2 | -177.9 | -67.8 | -93.2 | 0 | 0 | 0 | 114 | T42 A45 P46 L80 G81 G85 N86 | T42-Y83 HydrophobicContact CG2-CD1 4.4Å; T42-Y83 HydrophobicContact CG2-CE1 3.95Å; T42-Y83 WeakPolarHBondContact O-CE1 3.36Å; A45-Y83 HydrophobicContact CB-CD1 3.79Å; A45-Y83 HydrophobicContact CB-CE1 4.09Å; P46-Y83 HydrophobicContact CG-CE1 4.05Å; P46-Y83 HydrophobicContact CG-CE2 3.89Å; L80-Y83 PolarHBondContact O-N 3.39Å; L80-Y83 VanDerWaalsContact O-N 3.1Å; G81-Y83 PolarHBondContact O-N 2.97Å; Y83-G85 PolarHBondContact O-N 3.39Å; Y83-N86 WeakPolarHBondContact O-CB 3.42Å; Y83-N86 PolarHBondContact O-N 2.93Å |
| 84 | R | 91.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131.2 | 176 | -76.2 | -171.2 | 178.6 | -149.5 | -5.3 | 111.7 | E77 G81 N86 | E77-R84 IonicContact OE2-CZ 3.88Å; E77-R84 IonicContact OE2-NE 2.82Å; G81-R84 WeakPolarHBondContact O-CG 3.21Å; G81-R84 PolarHBondContact O-N 3.28Å; R84-N86 VanDerWaalsContact C-N 3.3Å |
| 85 | G | 89.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y83 G87 A88 M89 | Y83-G85 PolarHBondContact O-N 3.39Å; G85-G87 VanDerWaalsContact C-N 3.31Å; G85-G87 PolarHBondContact O-N 3.01Å; G85-A88 PolarHBondContact O-N 3.49Å; G85-M89 PolarHBondContact O-N 2.84Å |
| 86 | N | 93.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.9 | -168.1 | 51.3 | 0 | 0 | 0 | 112.1 | T42 A45 Y83 R84 A88 M89 M90 | T42-N86 PolarHBondContact OG1-ND2 3.31Å; A45-N86 HydrophobicContact CB-CB 4.12Å; A45-N86 WeakPolarHBondContact CB-OD1 3.43Å; Y83-N86 WeakPolarHBondContact O-CB 3.42Å; Y83-N86 PolarHBondContact O-N 2.93Å; R84-N86 VanDerWaalsContact C-N 3.3Å; N86-A88 VanDerWaalsContact C-N 3.34Å; N86-A88 PolarHBondContact O-N 2.82Å; N86-M89 CarbonylContact O-C 3.47Å; N86-M89 WeakPolarHBondContact O-CA 3.48Å; N86-M89 VanDerWaalsContact O-CB 3.25Å; N86-M89 WeakPolarHBondContact O-CB 3.32Å; N86-M89 PolarHBondContact O-N 2.79Å; N86-M90 WeakPolarHBondContact O-CG 3.45Å; N86-M90 PolarHBondContact O-N 2.84Å; N86-M90 VanDerWaalsContact OD1-CE 3.28Å; N86-M90 WeakPolarHBondContact OD1-CE 3.13Å |
| 87 | G | 91.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G85 M89 M90 V91 | G85-G87 VanDerWaalsContact C-N 3.31Å; G85-G87 PolarHBondContact O-N 3.01Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.95Å; G87-M90 PolarHBondContact O-N 3.22Å; G87-M90 VanDerWaalsContact O-N 3.16Å; G87-V91 WeakPolarHBondContact O-CG2 3.39Å; G87-V91 PolarHBondContact O-N 2.69Å |
| 88 | A | 91.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -33 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | G85 N86 R92 V144 R145 L148 I161 | G85-A88 PolarHBondContact O-N 3.49Å; N86-A88 VanDerWaalsContact C-N 3.34Å; N86-A88 PolarHBondContact O-N 2.82Å; A88-R92 PolarHBondContact O-N 3.23Å; A88-V144 HydrophobicContact CB-CG1 4.39Å; A88-R145 HydrophobicContact CB-CB 3.96Å; A88-L148 HydrophobicContact CB-CD1 4.23Å; A88-I161 HydrophobicContact CB-CD1 4.14Å; A88-I161 HydrophobicContact CB-CG1 4.28Å |
| 89 | M | 91.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 173.1 | -172.8 | 59.3 | -175 | 0 | 0 | 111.9 | K41 G85 N86 G87 R92 I93 R145 | K41-M89 HydrophobicContact CB-CG 4.34Å; K41-M89 HydrophobicContact CD-CE 3.61Å; K41-M89 VanDerWaalsContact CE-CE 3.47Å; K41-M89 HydrophobicContact CG-CE 3.73Å; K41-M89 HydrophobicContact CG-CG 4.48Å; G85-M89 PolarHBondContact O-N 2.84Å; N86-M89 CarbonylContact O-C 3.47Å; N86-M89 WeakPolarHBondContact O-CA 3.48Å; N86-M89 VanDerWaalsContact O-CB 3.25Å; N86-M89 WeakPolarHBondContact O-CB 3.32Å; N86-M89 PolarHBondContact O-N 2.79Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.95Å; M89-R92 WeakPolarHBondContact O-CB 3.46Å; M89-R92 PolarHBondContact O-N 3.07Å; M89-I93 PolarHBondContact O-N 2.96Å; M89-R145 PolarHBondContact SD-NH1 3.3Å |
| 90 | M | 93.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.9 | -62.4 | -52.9 | 96.4 | 0 | 0 | 111.4 | C38 K41 N86 G87 R92 I93 | C38-M90 HydrophobicContact CB-SD 3.85Å; K41-M90 HydrophobicContact CB-CE 3.56Å; N86-M90 WeakPolarHBondContact O-CG 3.45Å; N86-M90 PolarHBondContact O-N 2.84Å; N86-M90 VanDerWaalsContact OD1-CE 3.28Å; N86-M90 WeakPolarHBondContact OD1-CE 3.13Å; G87-M90 PolarHBondContact O-N 3.22Å; G87-M90 VanDerWaalsContact O-N 3.16Å; M90-R92 PolarHBondContact O-N 3.32Å; M90-R92 VanDerWaalsContact O-N 3.14Å; M90-I93 HydrophobicContact CE-CD1 3.87Å; M90-I93 PolarHBondContact O-N 3.39Å; M90-I93 VanDerWaalsContact O-N 3.09Å; M90-I93 HydrophobicContact SD-CD1 4.07Å |
| 91 | V | 92.5 | Very high | 91.6 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 47% | 0.473 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.7 | -31.7 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | G87 P95 L141 | G87-V91 WeakPolarHBondContact O-CG2 3.39Å; G87-V91 PolarHBondContact O-N 2.69Å; V91-P95 WeakPolarHBondContact O-CD 3.44Å; V91-P95 WeakPolarHBondContact O-CG 3.38Å; V91-L141 HydrophobicContact CG1-CD1 4.29Å; V91-L141 HydrophobicContact CG1-CD2 4.15Å |
| 92 | R | 90.8 | Very high | 91.6 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.4 | -26.1 | -179.5 | -161.5 | -170.9 | 76.9 | 117.4 | 14.7 | 114.1 | A88 M89 M90 F94 P95 Y96 L141 D142 | A88-R92 PolarHBondContact O-N 3.23Å; M89-R92 WeakPolarHBondContact O-CB 3.46Å; M89-R92 PolarHBondContact O-N 3.07Å; M90-R92 PolarHBondContact O-N 3.32Å; M90-R92 VanDerWaalsContact O-N 3.14Å; R92-F94 PolarHBondContact O-N 3.49Å; R92-P95 WeakPolarHBondContact O-CD 3.49Å; R92-Y96 WeakPolarHBondContact O-CB 3.28Å; R92-Y96 PolarHBondContact O-N 3.15Å; R92-L141 HydrophobicContact CB-CB 4.13Å; R92-L141 HydrophobicContact CB-CD1 3.98Å; R92-L141 HydrophobicContact CG-CB 3.91Å; R92-L141 HydrophobicContact CG-CD1 3.98Å; R92-D142 WeakPolarHBondContact CD-OD1 3.25Å; R92-D142 IonicContact CZ-OD1 3.47Å; R92-D142 IonicContact NE-OD1 2.75Å; R92-D142 PolarHBondContact NE-OD1 2.98Å; R92-D142 VanDerWaalsContact NH1-CG 3.34Å; R92-D142 IonicContact NH1-OD1 3.17Å; R92-D142 PolarHBondContact NH1-OD1 3.49Å; R92-D142 IonicContact NH1-OD2 3.88Å; R92-D142 PolarHBondContact NH1-OD2 3.48Å |
| 93 | I | 88.7 | Confident | 91.6 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | -171.7 | -72.3 | 169.1 | 0 | 0 | 0 | 111.1 | C38 K41 M89 M90 G97 | C38-I93 HydrophobicContact CB-CD1 4.28Å; C38-I93 VanDerWaalsContact SG-CD1 3.6Å; K41-I93 HydrophobicContact CB-CD1 4.16Å; K41-I93 HydrophobicContact CG-CD1 3.96Å; M89-I93 PolarHBondContact O-N 2.96Å; M90-I93 HydrophobicContact CE-CD1 3.87Å; M90-I93 PolarHBondContact O-N 3.39Å; M90-I93 VanDerWaalsContact O-N 3.09Å; M90-I93 HydrophobicContact SD-CD1 4.07Å; I93-G97 PolarHBondContact O-N 3.45Å |
| 94 | F | 88.1 | Confident | 91.5 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -51 | -177.1 | -65.1 | -80.8 | 0 | 0 | 0 | 113.4 | F30 R92 Y96 G97 A98 | F30-F94 HydrophobicContact CE1-CD1 4.08Å; F30-F94 HydrophobicContact CZ-CD1 4.31Å; R92-F94 PolarHBondContact O-N 3.49Å; F94-Y96 VanDerWaalsContact C-N 3.28Å; F94-Y96 PolarHBondContact O-N 3Å; F94-G97 PolarHBondContact O-N 3.06Å; F94-A98 WeakPolarHBondContact O-CB 3.38Å; F94-A98 PolarHBondContact O-N 3.19Å |
| 95 | P | 92.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.7 | -24.3 | 34.5 | 0 | 0 | 0 | 112.6 | V91 R92 A98 I99 T138 | V91-P95 WeakPolarHBondContact O-CD 3.44Å; V91-P95 WeakPolarHBondContact O-CG 3.38Å; R92-P95 WeakPolarHBondContact O-CD 3.49Å; P95-A98 PolarHBondContact O-N 3.3Å; P95-I99 WeakPolarHBondContact O-CB 3.12Å; P95-I99 WeakPolarHBondContact O-CD1 3.13Å; P95-I99 VanDerWaalsContact O-CG1 3.27Å; P95-I99 WeakPolarHBondContact O-CG1 3.23Å; P95-I99 PolarHBondContact O-N 3.48Å; P95-T138 HydrophobicContact CB-CG2 4.06Å |
| 96 | Y | 92.2 | Very high | 91.4 | Very high | 62 Ų | 62 | 56 Ų | 56 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 178 | -179.6 | -95.9 | 0 | 0 | 0 | 111.3 | R92 F94 Q100 A134 V135 | R92-Y96 WeakPolarHBondContact O-CB 3.28Å; R92-Y96 PolarHBondContact O-N 3.15Å; F94-Y96 VanDerWaalsContact C-N 3.28Å; F94-Y96 PolarHBondContact O-N 3Å; Y96-Q100 VanDerWaalsContact O-CB 3.23Å; Y96-Q100 WeakPolarHBondContact O-CB 3.43Å; Y96-Q100 PolarHBondContact O-N 3.31Å; Y96-A134 HydrophobicContact CD2-CB 3.78Å; Y96-A134 HydrophobicContact CE2-CB 3.69Å; Y96-A134 HydrophobicContact CG-CB 4.48Å; Y96-V135 HydrophobicContact CE2-CG2 3.87Å |
| 97 | G | 89.2 | Confident | 91.3 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I93 F94 I99 Q100 F101 | I93-G97 PolarHBondContact O-N 3.45Å; F94-G97 PolarHBondContact O-N 3.06Å; G97-I99 PolarHBondContact O-N 2.9Å; G97-Q100 PolarHBondContact O-N 3.43Å; G97-F101 WeakPolarHBondContact O-CD2 3.4Å; G97-F101 PolarHBondContact O-N 3.41Å |
| 98 | A | 90.4 | Very high | 91.1 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -50.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F94 P95 Q100 F101 M102 | F94-A98 WeakPolarHBondContact O-CB 3.38Å; F94-A98 PolarHBondContact O-N 3.19Å; P95-A98 PolarHBondContact O-N 3.3Å; A98-Q100 VanDerWaalsContact C-N 3.33Å; A98-Q100 PolarHBondContact O-N 3.16Å; A98-F101 PolarHBondContact O-N 2.85Å; A98-M102 WeakPolarHBondContact O-CB 3.36Å; A98-M102 VanDerWaalsContact O-CG 3.28Å; A98-M102 WeakPolarHBondContact O-CG 2.94Å; A98-M102 PolarHBondContact O-N 3.4Å |
| 99 | I | 94.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 178.8 | -66.7 | 159.5 | 0 | 0 | 0 | 110.5 | P95 G97 A103 T133 A134 C137 T138 | P95-I99 WeakPolarHBondContact O-CB 3.12Å; P95-I99 WeakPolarHBondContact O-CD1 3.13Å; P95-I99 VanDerWaalsContact O-CG1 3.27Å; P95-I99 WeakPolarHBondContact O-CG1 3.23Å; P95-I99 PolarHBondContact O-N 3.48Å; G97-I99 PolarHBondContact O-N 2.9Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.2Å; I99-T133 HydrophobicContact CG2-CG2 4.28Å; I99-A134 HydrophobicContact CB-CB 4.28Å; I99-A134 HydrophobicContact CG2-CB 4.05Å; I99-C137 HydrophobicContact CD1-CB 3.62Å; I99-C137 HydrophobicContact CG2-CB 4.42Å; I99-T138 HydrophobicContact CD1-CG2 4.02Å |
| 100 | Q | 92.7 | Very high | 90.7 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 179 | -175 | 178.6 | -22.3 | 0 | 0 | 111.7 | Y96 G97 A98 F104 A130 A134 | Y96-Q100 VanDerWaalsContact O-CB 3.23Å; Y96-Q100 WeakPolarHBondContact O-CB 3.43Å; Y96-Q100 PolarHBondContact O-N 3.31Å; G97-Q100 PolarHBondContact O-N 3.43Å; A98-Q100 VanDerWaalsContact C-N 3.33Å; A98-Q100 PolarHBondContact O-N 3.16Å; Q100-F104 WeakPolarHBondContact O-CB 3.09Å; Q100-F104 PolarHBondContact O-N 2.77Å; Q100-A130 HydrophobicContact CG-CB 4.34Å; Q100-A130 WeakPolarHBondContact O-CB 3.12Å; Q100-A134 HydrophobicContact CB-CB 3.84Å |
| 101 | F | 89.4 | Confident | 90.4 | Very high | 125 Ų | 125 | 68.1 Ų | 68.1 | 55% | 0.548 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 178.3 | -78.6 | -66.1 | 0 | 0 | 0 | 112.2 | G97 A98 A103 F104 D105 | G97-F101 WeakPolarHBondContact O-CD2 3.4Å; G97-F101 PolarHBondContact O-N 3.41Å; A98-F101 PolarHBondContact O-N 2.85Å; F101-A103 PolarHBondContact O-N 3.48Å; F101-F104 PolarHBondContact O-N 2.66Å; F101-D105 PolarHBondContact O-N 2.95Å; F101-D105 VanDerWaalsContact O-N 3.11Å |
| 102 | M | 91.6 | Very high | 90 | Very high | 141 Ų | 141 | 68.8 Ų | 68.8 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 177.9 | -70.8 | 179.6 | 70.8 | 0 | 0 | 112.1 | A98 D105 K106 | A98-M102 WeakPolarHBondContact O-CB 3.36Å; A98-M102 VanDerWaalsContact O-CG 3.28Å; A98-M102 WeakPolarHBondContact O-CG 2.94Å; A98-M102 PolarHBondContact O-N 3.4Å; M102-D105 PolarHBondContact O-N 3.21Å; M102-K106 WeakPolarHBondContact O-CG 3.4Å; M102-K106 PolarHBondContact O-N 2.77Å; M102-K106 VanDerWaalsContact O-N 3.16Å |
| 103 | A | 93.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I99 F101 D105 K106 Y107 A130 T133 | I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.2Å; F101-A103 PolarHBondContact O-N 3.48Å; A103-D105 PolarHBondContact O-N 3.41Å; A103-K106 PolarHBondContact O-N 2.98Å; A103-Y107 HydrophobicContact CB-CD2 4.18Å; A103-Y107 HydrophobicContact CB-CE2 3.89Å; A103-Y107 WeakPolarHBondContact O-CB 3.48Å; A103-Y107 WeakPolarHBondContact O-CD2 3.41Å; A103-Y107 PolarHBondContact O-N 2.82Å; A103-A130 HydrophobicContact CB-CB 3.87Å; A103-T133 HydrophobicContact CB-CG2 4.42Å |
| 104 | F | 91.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 176.7 | 176.5 | -103.8 | 0 | 0 | 0 | 111.4 | Q100 F101 K106 Y107 K108 A126 A130 | Q100-F104 WeakPolarHBondContact O-CB 3.09Å; Q100-F104 PolarHBondContact O-N 2.77Å; F101-F104 PolarHBondContact O-N 2.66Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 3.31Å; F104-Y107 PolarHBondContact O-N 3.43Å; F104-K108 HydrophobicContact CE1-CD 3.97Å; F104-K108 HydrophobicContact CZ-CD 4.15Å; F104-K108 WeakPolarHBondContact O-CB 3.47Å; F104-K108 PolarHBondContact O-N 2.91Å; F104-A126 HydrophobicContact CD2-CB 4Å; F104-A126 HydrophobicContact CE2-CB 4.02Å; F104-A130 HydrophobicContact CB-CB 3.84Å |
| 105 | D | 88.9 | Confident | 88.3 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 179.8 | -84.2 | -29.7 | 0 | 0 | 0 | 113.1 | F101 M102 A103 K108 K109 | F101-D105 PolarHBondContact O-N 2.95Å; F101-D105 VanDerWaalsContact O-N 3.11Å; M102-D105 PolarHBondContact O-N 3.21Å; A103-D105 PolarHBondContact O-N 3.41Å; D105-K108 IonicContact OD1-NZ 3.77Å; D105-K108 PolarHBondContact OD1-NZ 3.28Å; D105-K109 WeakPolarHBondContact O-CB 3.34Å; D105-K109 VanDerWaalsContact O-CG 3.29Å; D105-K109 WeakPolarHBondContact O-CG 3.48Å; D105-K109 PolarHBondContact O-N 2.99Å; D105-K109 VanDerWaalsContact O-N 3.12Å |
| 106 | K | 91.4 | Very high | 87.2 | Confident | 160 Ų | 160 | 85.1 Ų | 85.1 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66 | -49.1 | 174.3 | -73 | -74.9 | -175.9 | 172.6 | 0 | 111.6 | M102 A103 F104 K109 L110 | M102-K106 WeakPolarHBondContact O-CG 3.4Å; M102-K106 PolarHBondContact O-N 2.77Å; M102-K106 VanDerWaalsContact O-N 3.16Å; A103-K106 PolarHBondContact O-N 2.98Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 3.31Å; K106-K109 PolarHBondContact O-N 3Å; K106-L110 WeakPolarHBondContact O-CB 3.23Å; K106-L110 PolarHBondContact O-N 3.04Å |
| 107 | Y | 91.9 | Very high | 85.7 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 21% | 0.212 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 178.7 | -67 | -45.5 | 0 | 0 | 0 | 111.8 | A103 F104 K109 L110 L111 M129 A130 T133 | A103-Y107 HydrophobicContact CB-CD2 4.18Å; A103-Y107 HydrophobicContact CB-CE2 3.89Å; A103-Y107 WeakPolarHBondContact O-CB 3.48Å; A103-Y107 WeakPolarHBondContact O-CD2 3.41Å; A103-Y107 PolarHBondContact O-N 2.82Å; F104-Y107 PolarHBondContact O-N 3.43Å; Y107-K109 PolarHBondContact O-N 2.95Å; Y107-L110 PolarHBondContact O-N 2.93Å; Y107-L111 WeakPolarHBondContact O-CB 3.38Å; Y107-L111 WeakPolarHBondContact O-CD1 3.37Å; Y107-L111 PolarHBondContact O-N 3.41Å; Y107-M129 HydrophobicContact CD1-CE 3.74Å; Y107-M129 HydrophobicContact CD1-SD 4.5Å; Y107-M129 HydrophobicContact CD2-CB 3.58Å; Y107-M129 HydrophobicContact CE1-CE 3.71Å; Y107-M129 HydrophobicContact CE2-CB 3.68Å; Y107-M129 HydrophobicContact CG-CB 4.1Å; Y107-M129 HydrophobicContact CG-CE 4.26Å; Y107-A130 HydrophobicContact CD2-CB 4.2Å; Y107-T133 PolarHBondContact OH-OG1 2.95Å |
| 108 | K | 87.8 | Confident | 84.4 | Confident | 66 Ų | 66 | 89.9 Ų | 89.9 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.5 | -49 | 175.1 | -167.5 | -178.2 | 78.9 | -154.7 | 0 | 111.5 | F104 D105 N112 H122 A126 | F104-K108 HydrophobicContact CE1-CD 3.97Å; F104-K108 HydrophobicContact CZ-CD 4.15Å; F104-K108 WeakPolarHBondContact O-CB 3.47Å; F104-K108 PolarHBondContact O-N 2.91Å; D105-K108 IonicContact OD1-NZ 3.77Å; D105-K108 PolarHBondContact OD1-NZ 3.28Å; K108-N112 WeakPolarHBondContact O-CB 3.3Å; K108-N112 PolarHBondContact O-N 3.24Å; K108-N112 VanDerWaalsContact O-N 3.11Å; K108-H122 VanDerWaalsContact CG-NE2 3.3Å; K108-H122 WeakPolarHBondContact CG-NE2 3.37Å; K108-A126 HydrophobicContact CB-CB 4.29Å |
| 109 | K | 87.3 | Confident | 83.4 | Confident | 148 Ų | 148 | 89.7 Ų | 89.7 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.8 | -72.4 | 175.7 | -176.9 | -178.4 | 0 | 112 | D105 K106 Y107 K113 | D105-K109 WeakPolarHBondContact O-CB 3.34Å; D105-K109 VanDerWaalsContact O-CG 3.29Å; D105-K109 WeakPolarHBondContact O-CG 3.48Å; D105-K109 PolarHBondContact O-N 2.99Å; D105-K109 VanDerWaalsContact O-N 3.12Å; K106-K109 PolarHBondContact O-N 3Å; Y107-K109 PolarHBondContact O-N 2.95Å; K109-K113 WeakPolarHBondContact O-CB 3.34Å; K109-K113 PolarHBondContact O-N 3.06Å; K109-K113 VanDerWaalsContact O-N 3.07Å |
| 110 | L | 87.8 | Confident | 82.5 | Confident | 81 Ų | 81 | 95 Ų | 95 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -48.2 | -179.9 | -174.4 | 69.6 | 0 | 0 | 0 | 111.9 | K106 Y107 N112 K113 R114 | K106-L110 WeakPolarHBondContact O-CB 3.23Å; K106-L110 PolarHBondContact O-N 3.04Å; Y107-L110 PolarHBondContact O-N 2.93Å; L110-N112 PolarHBondContact O-N 2.93Å; L110-K113 PolarHBondContact O-N 2.99Å; L110-R114 HydrophobicContact CD1-CG 4.2Å; L110-R114 WeakPolarHBondContact O-CB 3.06Å; L110-R114 PolarHBondContact O-N 2.95Å |
| 111 | L | 85.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 97.3 Ų | 97.3 | 6% | 0.063 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | -179.9 | -91.6 | 66.5 | 0 | 0 | 0 | 111.3 | Y107 I115 H122 M125 M129 | Y107-L111 WeakPolarHBondContact O-CB 3.38Å; Y107-L111 WeakPolarHBondContact O-CD1 3.37Å; Y107-L111 PolarHBondContact O-N 3.41Å; L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 WeakPolarHBondContact O-CB 3.26Å; L111-I115 PolarHBondContact O-N 3.39Å; L111-H122 HydrophobicContact CD2-CB 4.46Å; L111-M125 HydrophobicContact CD2-CB 3.63Å; L111-M125 HydrophobicContact CD2-CE 4.31Å; L111-M125 HydrophobicContact CD2-SD 4.34Å; L111-M129 HydrophobicContact CD1-SD 4.27Å |
| 112 | N | 83.1 | Confident | 81.5 | Confident | 92 Ų | 92 | 92.1 Ų | 92.1 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.8 | -163.3 | 12.9 | 0 | 0 | 0 | 111.3 | K108 L110 G116 | K108-N112 WeakPolarHBondContact O-CB 3.3Å; K108-N112 PolarHBondContact O-N 3.24Å; K108-N112 VanDerWaalsContact O-N 3.11Å; L110-N112 PolarHBondContact O-N 2.93Å; N112-G116 PolarHBondContact O-N 2.73Å |
| 113 | K | 82.6 | Confident | 81.1 | Confident | 194 Ų | 194 | 92.1 Ų | 92.1 | 84% | 0.843 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.6 | -36.8 | -179.4 | -169.2 | 176.7 | -178 | -179.9 | 0 | 113.8 | K109 L110 | K109-K113 WeakPolarHBondContact O-CB 3.34Å; K109-K113 PolarHBondContact O-N 3.06Å; K109-K113 VanDerWaalsContact O-N 3.07Å; L110-K113 PolarHBondContact O-N 2.99Å |
| 114 | R | 78.8 | Confident | 80.7 | Confident | 203 Ų | 203 | 96.3 Ų | 96.3 | 77% | 0.766 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -93.2 | -33.5 | -172.3 | -80.3 | -98.9 | -80.6 | -102.8 | -3 | 114.4 | L110 | L110-R114 HydrophobicContact CD1-CG 4.2Å; L110-R114 WeakPolarHBondContact O-CB 3.06Å; L110-R114 PolarHBondContact O-N 2.95Å |
| 115 | I | 72.5 | Confident | 80.5 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -111.7 | -15.3 | -170.2 | -37.9 | -175.8 | 0 | 0 | 0 | 110.9 | L111 I117 | L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 WeakPolarHBondContact O-CB 3.26Å; L111-I115 PolarHBondContact O-N 3.39Å; I115-I117 HydrophobicContact CB-CD1 4.26Å; I115-I117 HydrophobicContact CB-CG1 4.19Å; I115-I117 HydrophobicContact CG2-CD1 3.37Å; I115-I117 HydrophobicContact CG2-CG1 3.64Å; I115-I117 PolarHBondContact O-N 3.09Å |
| 116 | G | 67.9 | Low | 80.6 | Confident | 60 Ų | 60 | 94 Ų | 94 | 62% | 0.619 | 47% | 0.465 | S | S | * | . | trans | 63 | 6.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N112 S118 | N112-G116 PolarHBondContact O-N 2.73Å; G116-S118 PolarHBondContact O-N 3.19Å | ||
| 117 | I | 61.6 | Low | 80.5 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | trans | -78.8 | 103.5 | -179.7 | -60.6 | 175.5 | 0 | 0 | 0 | 108.3 | I115 H122 | I115-I117 HydrophobicContact CB-CD1 4.26Å; I115-I117 HydrophobicContact CB-CG1 4.19Å; I115-I117 HydrophobicContact CG2-CD1 3.37Å; I115-I117 HydrophobicContact CG2-CG1 3.64Å; I115-I117 PolarHBondContact O-N 3.09Å; I117-H122 WeakPolarHBondContact O-CB 3.27Å | ||
| 118 | S | 60.8 | Low | 80.5 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 73% | 0.734 | 46% | 0.456 | S | S | * | . | trans | -90.3 | 140.6 | 167 | 106.5 | 0 | 0 | 0 | 0 | 109.7 | G116 | G116-S118 PolarHBondContact O-N 3.19Š| ||
| 119 | G | 70.8 | Confident | 80.7 | Confident | 33 Ų | 33 | 88 Ų | 88 | 34% | 0.34 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 131.5 | -170.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I121 H122 | G119-I121 VanDerWaalsContact C-N 3.31Å; G119-I121 PolarHBondContact O-N 3.49Å; G119-H122 PolarHBondContact O-ND1 3.03Å |
| 120 | H | 75.1 | Confident | 81 | Confident | 157 Ų | 157 | 80.9 Ų | 80.9 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.3 | -30.2 | -174.6 | -66 | -79.2 | 0 | 0 | 0 | 113.8 | R123 L124 | H120-R123 PolarHBondContact O-N 3.29Å; H120-L124 PolarHBondContact O-N 3.07Å |
| 121 | I | 78.3 | Confident | 81.2 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | -176.9 | -59.9 | 174.1 | 0 | 0 | 0 | 111.2 | G119 R123 L124 M125 | G119-I121 VanDerWaalsContact C-N 3.31Å; G119-I121 PolarHBondContact O-N 3.49Å; I121-R123 VanDerWaalsContact C-N 3.31Å; I121-R123 PolarHBondContact O-N 3.46Å; I121-L124 WeakPolarHBondContact O-CB 3.47Å; I121-L124 PolarHBondContact O-N 3.26Å; I121-M125 HydrophobicContact CG2-CG 4.39Å; I121-M125 HydrophobicContact CG2-SD 4.08Å; I121-M125 WeakPolarHBondContact O-CG 3.46Å; I121-M125 PolarHBondContact O-N 3.35Å |
| 122 | H | 82.2 | Confident | 81.6 | Confident | 16 Ų | 16 | 80.9 Ų | 80.9 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.9 | -37 | 179.6 | 97.1 | -84.3 | 0 | 0 | 0 | 111.8 | K108 L111 I117 G119 L124 M125 A126 | K108-H122 VanDerWaalsContact CG-NE2 3.3Å; K108-H122 WeakPolarHBondContact CG-NE2 3.37Å; L111-H122 HydrophobicContact CD2-CB 4.46Å; I117-H122 WeakPolarHBondContact O-CB 3.27Å; G119-H122 PolarHBondContact O-ND1 3.03Å; H122-L124 VanDerWaalsContact C-N 3.34Å; H122-M125 PolarHBondContact O-N 3.34Å; H122-A126 VanDerWaalsContact O-CB 3.26Å; H122-A126 WeakPolarHBondContact O-CB 3.45Å; H122-A126 PolarHBondContact O-N 3.39Å |
| 123 | R | 83.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 78.3 Ų | 78.3 | 53% | 0.532 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.7 | -64.1 | -174.7 | 178.6 | 145.3 | -1.7 | 110.6 | H120 I121 G127 | H120-R123 PolarHBondContact O-N 3.29Å; I121-R123 VanDerWaalsContact C-N 3.31Å; I121-R123 PolarHBondContact O-N 3.46Å; R123-G127 PolarHBondContact O-N 3.07Å |
| 124 | L | 85.5 | Confident | 82.8 | Confident | 100 Ų | 100 | 69 Ų | 69 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.8 | -173.9 | 70.7 | 0 | 0 | 0 | 111.8 | H120 I121 H122 G127 S128 | H120-L124 PolarHBondContact O-N 3.07Å; I121-L124 WeakPolarHBondContact O-CB 3.47Å; I121-L124 PolarHBondContact O-N 3.26Å; H122-L124 VanDerWaalsContact C-N 3.34Å; L124-G127 PolarHBondContact O-N 3.48Å; L124-S128 WeakPolarHBondContact O-CB 3.34Å; L124-S128 PolarHBondContact O-N 3.1Å; L124-S128 PolarHBondContact O-OG 3.22Å |
| 125 | M | 87.4 | Confident | 83.5 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 38% | 0.384 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 176.5 | -70.1 | 177.1 | 71.7 | 0 | 0 | 111.4 | L111 I121 H122 G127 S128 M129 | L111-M125 HydrophobicContact CD2-CB 3.63Å; L111-M125 HydrophobicContact CD2-CE 4.31Å; L111-M125 HydrophobicContact CD2-SD 4.34Å; I121-M125 HydrophobicContact CG2-CG 4.39Å; I121-M125 HydrophobicContact CG2-SD 4.08Å; I121-M125 WeakPolarHBondContact O-CG 3.46Å; I121-M125 PolarHBondContact O-N 3.35Å; H122-M125 PolarHBondContact O-N 3.34Å; M125-G127 VanDerWaalsContact C-N 3.29Å; M125-G127 PolarHBondContact O-N 2.93Å; M125-S128 PolarHBondContact O-N 3.43Å; M125-M129 WeakPolarHBondContact O-CG 3.19Å; M125-M129 PolarHBondContact O-N 2.93Å |
| 126 | A | 89.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F104 K108 H122 A130 | F104-A126 HydrophobicContact CD2-CB 4Å; F104-A126 HydrophobicContact CE2-CB 4.02Å; K108-A126 HydrophobicContact CB-CB 4.29Å; H122-A126 VanDerWaalsContact O-CB 3.26Å; H122-A126 WeakPolarHBondContact O-CB 3.45Å; H122-A126 PolarHBondContact O-N 3.39Å; A126-A130 WeakPolarHBondContact O-CB 3.28Å; A126-A130 PolarHBondContact O-N 3.41Å |
| 127 | G | 90.3 | Very high | 85.9 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R123 L124 M125 A130 G131 | R123-G127 PolarHBondContact O-N 3.07Å; L124-G127 PolarHBondContact O-N 3.48Å; M125-G127 VanDerWaalsContact C-N 3.29Å; M125-G127 PolarHBondContact O-N 2.93Å; G127-A130 PolarHBondContact O-N 2.72Å; G127-G131 PolarHBondContact O-N 2.88Å |
| 128 | S | 91 | Very high | 87.5 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | L124 M125 G131 M132 | L124-S128 WeakPolarHBondContact O-CB 3.34Å; L124-S128 PolarHBondContact O-N 3.1Å; L124-S128 PolarHBondContact O-OG 3.22Å; M125-S128 PolarHBondContact O-N 3.43Å; S128-G131 PolarHBondContact O-N 3.2Å; S128-M132 WeakPolarHBondContact O-CG 3.3Å; S128-M132 PolarHBondContact O-N 3.17Å |
| 129 | M | 92.3 | Very high | 89.2 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.6 | -68.5 | 176.3 | 71.2 | 0 | 0 | 111.5 | Y107 L111 M125 G131 M132 T133 | Y107-M129 HydrophobicContact CD1-CE 3.74Å; Y107-M129 HydrophobicContact CD1-SD 4.5Å; Y107-M129 HydrophobicContact CD2-CB 3.58Å; Y107-M129 HydrophobicContact CE1-CE 3.71Å; Y107-M129 HydrophobicContact CE2-CB 3.68Å; Y107-M129 HydrophobicContact CG-CB 4.1Å; Y107-M129 HydrophobicContact CG-CE 4.26Å; L111-M129 HydrophobicContact CD1-SD 4.27Å; M125-M129 WeakPolarHBondContact O-CG 3.19Å; M125-M129 PolarHBondContact O-N 2.93Å; M129-G131 VanDerWaalsContact C-N 3.34Å; M129-G131 PolarHBondContact O-N 3.3Å; M129-M132 HydrophobicContact CG-CE 4.46Å; M129-M132 PolarHBondContact O-N 2.84Å; M129-T133 PolarHBondContact O-N 3.39Å; M129-T133 PolarHBondContact O-OG1 2.89Å; M129-T133 VanDerWaalsContact O-OG1 3.06Å |
| 130 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q100 A103 F104 Y107 A126 G127 T133 A134 | Q100-A130 HydrophobicContact CG-CB 4.34Å; Q100-A130 WeakPolarHBondContact O-CB 3.12Å; A103-A130 HydrophobicContact CB-CB 3.87Å; F104-A130 HydrophobicContact CB-CB 3.84Å; Y107-A130 HydrophobicContact CD2-CB 4.2Å; A126-A130 WeakPolarHBondContact O-CB 3.28Å; A126-A130 PolarHBondContact O-N 3.41Å; G127-A130 PolarHBondContact O-N 2.72Å; A130-T133 PolarHBondContact O-N 3.45Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.37Å |
| 131 | G | 92.1 | Very high | 91.3 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G127 S128 M129 A134 V135 | G127-G131 PolarHBondContact O-N 2.88Å; S128-G131 PolarHBondContact O-N 3.2Å; M129-G131 VanDerWaalsContact C-N 3.34Å; M129-G131 PolarHBondContact O-N 3.3Å; G131-A134 PolarHBondContact O-N 3.42Å; G131-V135 VanDerWaalsContact O-CG2 3.26Å; G131-V135 WeakPolarHBondContact O-CG2 3.42Å; G131-V135 PolarHBondContact O-N 3.44Å |
| 132 | M | 93.7 | Very high | 92 | Very high | 81 Ų | 81 | 39 Ų | 39 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.7 | -72.3 | -172.4 | -69 | 0 | 0 | 112 | S128 M129 A134 V135 I136 L185 | S128-M132 WeakPolarHBondContact O-CG 3.3Å; S128-M132 PolarHBondContact O-N 3.17Å; M129-M132 HydrophobicContact CG-CE 4.46Å; M129-M132 PolarHBondContact O-N 2.84Å; M132-A134 PolarHBondContact O-N 2.93Å; M132-V135 PolarHBondContact O-N 3.25Å; M132-I136 WeakPolarHBondContact O-CG1 3.39Å; M132-I136 PolarHBondContact O-N 3.39Å; M132-L185 HydrophobicContact CG-CD2 4.43Å |
| 133 | T | 95.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | I99 A103 Y107 M129 A130 V135 I136 C137 | I99-T133 HydrophobicContact CG2-CG2 4.28Å; A103-T133 HydrophobicContact CB-CG2 4.42Å; Y107-T133 PolarHBondContact OH-OG1 2.95Å; M129-T133 PolarHBondContact O-N 3.39Å; M129-T133 PolarHBondContact O-OG1 2.89Å; M129-T133 VanDerWaalsContact O-OG1 3.06Å; A130-T133 PolarHBondContact O-N 3.45Å; T133-V135 VanDerWaalsContact C-N 3.31Å; T133-V135 PolarHBondContact O-N 2.94Å; T133-I136 PolarHBondContact O-N 3.3Å; T133-C137 WeakPolarHBondContact O-CB 3.03Å; T133-C137 PolarHBondContact O-N 3.11Å; T133-C137 PolarHBondContact O-SG 2.94Å; T133-C137 VanDerWaalsContact O-SG 3.36Å |
| 134 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y96 I99 Q100 A130 G131 M132 T138 | Y96-A134 HydrophobicContact CD2-CB 3.78Å; Y96-A134 HydrophobicContact CE2-CB 3.69Å; Y96-A134 HydrophobicContact CG-CB 4.48Å; I99-A134 HydrophobicContact CB-CB 4.28Å; I99-A134 HydrophobicContact CG2-CB 4.05Å; Q100-A134 HydrophobicContact CB-CB 3.84Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.37Å; G131-A134 PolarHBondContact O-N 3.42Å; M132-A134 PolarHBondContact O-N 2.93Å; A134-T138 WeakPolarHBondContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CG2 3.47Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 3.06Å |
| 135 | V | 94.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -49.6 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | Y96 G131 M132 T133 C137 T138 Y139 L181 T184 M188 | Y96-V135 HydrophobicContact CE2-CG2 3.87Å; G131-V135 VanDerWaalsContact O-CG2 3.26Å; G131-V135 WeakPolarHBondContact O-CG2 3.42Å; G131-V135 PolarHBondContact O-N 3.44Å; M132-V135 PolarHBondContact O-N 3.25Å; T133-V135 VanDerWaalsContact C-N 3.31Å; T133-V135 PolarHBondContact O-N 2.94Å; V135-C137 PolarHBondContact O-N 2.95Å; V135-T138 CarbonylContact O-C 3.58Å; V135-T138 PolarHBondContact O-N 3.39Å; V135-Y139 HydrophobicContact CG1-CD2 4.14Å; V135-Y139 WeakPolarHBondContact O-CA 3.24Å; V135-Y139 VanDerWaalsContact O-CB 3.24Å; V135-Y139 WeakPolarHBondContact O-CB 3.41Å; V135-Y139 PolarHBondContact O-N 3.16Å; V135-L181 HydrophobicContact CG1-CD1 4.42Å; V135-T184 HydrophobicContact CG1-CG2 3.92Å; V135-M188 HydrophobicContact CB-CE 4.39Å; V135-M188 HydrophobicContact CG1-CE 4.12Å; V135-M188 HydrophobicContact CG2-CE 3.69Å |
| 136 | I | 95.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 24 Ų | 24 | 34% | 0.338 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.5 | -50 | -178.4 | -67.8 | 164 | 0 | 0 | 0 | 110.4 | M132 T133 T138 Y139 L181 | M132-I136 WeakPolarHBondContact O-CG1 3.39Å; M132-I136 PolarHBondContact O-N 3.39Å; T133-I136 PolarHBondContact O-N 3.3Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 2.89Å; I136-Y139 WeakPolarHBondContact O-CB 3.45Å; I136-Y139 PolarHBondContact O-N 2.98Å; I136-L181 HydrophobicContact CG1-CD1 4.15Å; I136-L181 HydrophobicContact CG1-CD2 4.34Å |
| 137 | C | 95.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 24 Ų | 24 | 47% | 0.473 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.5 | -33.5 | -178.5 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | I99 T133 V135 | I99-C137 HydrophobicContact CD1-CB 3.62Å; I99-C137 HydrophobicContact CG2-CB 4.42Å; T133-C137 WeakPolarHBondContact O-CB 3.03Å; T133-C137 PolarHBondContact O-N 3.11Å; T133-C137 PolarHBondContact O-SG 2.94Å; T133-C137 VanDerWaalsContact O-SG 3.36Å; V135-C137 PolarHBondContact O-N 2.95Å |
| 138 | T | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -97 | 2.3 | -179.5 | 64 | 0 | 0 | 0 | 0 | 113.9 | P95 I99 A134 V135 I136 P140 L141 | P95-T138 HydrophobicContact CB-CG2 4.06Å; I99-T138 HydrophobicContact CD1-CG2 4.02Å; A134-T138 WeakPolarHBondContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CG2 3.47Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 3.06Å; V135-T138 CarbonylContact O-C 3.58Å; V135-T138 PolarHBondContact O-N 3.39Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 2.89Å; T138-P140 VanDerWaalsContact C-CD 3.41Å; T138-L141 WeakPolarHBondContact O-CB 3.38Å; T138-L141 PolarHBondContact O-N 3.29Å; T138-L141 VanDerWaalsContact O-N 3.12Å |
| 139 | Y | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.3 | -35.5 | -176.7 | -158.8 | -94.8 | 0 | 0 | 0 | 114.2 | V135 I136 L141 D142 V143 F177 Y178 R179 G180 L181 T184 Q258 | V135-Y139 HydrophobicContact CG1-CD2 4.14Å; V135-Y139 WeakPolarHBondContact O-CA 3.24Å; V135-Y139 VanDerWaalsContact O-CB 3.24Å; V135-Y139 WeakPolarHBondContact O-CB 3.41Å; V135-Y139 PolarHBondContact O-N 3.16Å; I136-Y139 WeakPolarHBondContact O-CB 3.45Å; I136-Y139 PolarHBondContact O-N 2.98Å; Y139-L141 PolarHBondContact O-N 3.47Å; Y139-D142 WeakPolarHBondContact O-CA 3.31Å; Y139-D142 WeakPolarHBondContact O-CB 3.41Å; Y139-D142 PolarHBondContact O-N 3.09Å; Y139-V143 HydrophobicContact CD1-CG2 4.04Å; Y139-V143 HydrophobicContact CE1-CG2 3.59Å; Y139-V143 PolarHBondContact O-N 3.33Å; Y139-V143 VanDerWaalsContact O-N 3.17Å; Y139-F177 WeakPolarHBondContact CD1-O 3.44Å; Y139-Y178 HydrophobicContact CD1-CD1 4.17Å; Y139-R179 VanDerWaalsContact CE1-O 3.31Å; Y139-R179 WeakPolarHBondContact CE1-O 3.14Å; Y139-R179 PolarHBondContact OH-O 2.99Å; Y139-G180 VanDerWaalsContact OH-CA 3.27Å; Y139-G180 WeakPolarHBondContact OH-CA 3.44Å; Y139-G180 PolarHBondContact OH-O 2.92Å; Y139-G180 VanDerWaalsContact OH-O 3.09Å; Y139-L181 HydrophobicContact CD1-CB 4.29Å; Y139-L181 HydrophobicContact CD2-CB 4.5Å; Y139-L181 HydrophobicContact CD2-CD1 3.65Å; Y139-L181 HydrophobicContact CE1-CB 4.08Å; Y139-L181 HydrophobicContact CE2-CB 4.29Å; Y139-L181 HydrophobicContact CE2-CD1 4.02Å; Y139-L181 HydrophobicContact CG-CD1 3.96Å; Y139-L181 PolarHBondContact OH-N 3.44Å; Y139-T184 HydrophobicContact CE2-CG2 4.3Å; Y139-T184 WeakPolarHBondContact CE2-OG1 3.38Å; Y139-Q258 VanDerWaalsContact OH-CG 3.23Å; Y139-Q258 WeakPolarHBondContact OH-CG 3.4Å; Y139-Q258 PolarHBondContact OH-NE2 3.46Å |
| 140 | P | 95.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 14% | 0.143 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.3 | -37.6 | 174.6 | -27.8 | 35.9 | 0 | 0 | 0 | 113.5 | T138 D142 V143 V144 F165 F177 | T138-P140 VanDerWaalsContact C-CD 3.41Å; P140-D142 VanDerWaalsContact C-N 3.34Å; P140-D142 PolarHBondContact O-N 3.06Å; P140-V143 PolarHBondContact O-N 2.9Å; P140-V144 WeakPolarHBondContact O-CG2 3.34Å; P140-V144 PolarHBondContact O-N 3.45Å; P140-F165 HydrophobicContact CB-CE1 4Å; P140-F177 HydrophobicContact CB-CB 4.06Å; P140-F177 HydrophobicContact CB-CD1 4Å; P140-F177 HydrophobicContact CB-CG 4.26Å; P140-F177 HydrophobicContact CG-CB 4.12Å |
| 141 | L | 94.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 18.8 Ų | 18.8 | 14% | 0.136 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.3 | -31.4 | 176.6 | -68.6 | 168.4 | 0 | 0 | 0 | 112.2 | V91 R92 T138 Y139 R145 F165 | V91-L141 HydrophobicContact CG1-CD1 4.29Å; V91-L141 HydrophobicContact CG1-CD2 4.15Å; R92-L141 HydrophobicContact CB-CB 4.13Å; R92-L141 HydrophobicContact CB-CD1 3.98Å; R92-L141 HydrophobicContact CG-CB 3.91Å; R92-L141 HydrophobicContact CG-CD1 3.98Å; T138-L141 WeakPolarHBondContact O-CB 3.38Å; T138-L141 PolarHBondContact O-N 3.29Å; T138-L141 VanDerWaalsContact O-N 3.12Å; Y139-L141 PolarHBondContact O-N 3.47Å; L141-R145 VanDerWaalsContact O-CB 3.22Å; L141-R145 WeakPolarHBondContact O-CB 3.36Å; L141-R145 PolarHBondContact O-N 3.43Å; L141-F165 HydrophobicContact CD2-CE2 4.06Å; L141-F165 HydrophobicContact CD2-CZ 3.82Å; L141-F165 HydrophobicContact CG-CZ 4.46Å |
| 142 | D | 93.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 174 | -80.6 | -8.5 | 0 | 0 | 0 | 111.8 | R92 Y139 P140 A146 R254 | R92-D142 WeakPolarHBondContact CD-OD1 3.25Å; R92-D142 IonicContact CZ-OD1 3.47Å; R92-D142 IonicContact NE-OD1 2.75Å; R92-D142 PolarHBondContact NE-OD1 2.98Å; R92-D142 VanDerWaalsContact NH1-CG 3.34Å; R92-D142 IonicContact NH1-OD1 3.17Å; R92-D142 PolarHBondContact NH1-OD1 3.49Å; R92-D142 IonicContact NH1-OD2 3.88Å; R92-D142 PolarHBondContact NH1-OD2 3.48Å; Y139-D142 WeakPolarHBondContact O-CA 3.31Å; Y139-D142 WeakPolarHBondContact O-CB 3.41Å; Y139-D142 PolarHBondContact O-N 3.09Å; P140-D142 VanDerWaalsContact C-N 3.34Å; P140-D142 PolarHBondContact O-N 3.06Å; D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 3.05Å; D142-R254 IonicContact OD2-NH2 2.69Å; D142-R254 PolarHBondContact OD2-NH2 2.93Å |
| 143 | V | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.3 | -47.4 | 176.5 | 174 | 0 | 0 | 0 | 0 | 110.7 | Y139 P140 R145 A146 R147 I168 F177 Q258 | Y139-V143 HydrophobicContact CD1-CG2 4.04Å; Y139-V143 HydrophobicContact CE1-CG2 3.59Å; Y139-V143 PolarHBondContact O-N 3.33Å; Y139-V143 VanDerWaalsContact O-N 3.17Å; P140-V143 PolarHBondContact O-N 2.9Å; V143-R145 VanDerWaalsContact C-N 3.33Å; V143-R145 PolarHBondContact O-N 2.87Å; V143-A146 PolarHBondContact O-N 3.17Å; V143-A146 VanDerWaalsContact O-N 3.13Å; V143-R147 PolarHBondContact O-N 3.41Å; V143-I168 HydrophobicContact CG1-CD1 3.83Å; V143-F177 WeakPolarHBondContact CG2-O 3.29Å; V143-Q258 HydrophobicContact CG2-CG 4.23Å |
| 144 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -45 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | A88 P140 A146 R147 L148 I161 V164 F165 I168 | A88-V144 HydrophobicContact CB-CG1 4.39Å; P140-V144 WeakPolarHBondContact O-CG2 3.34Å; P140-V144 PolarHBondContact O-N 3.45Å; V144-A146 VanDerWaalsContact C-N 3.35Å; V144-A146 PolarHBondContact O-N 2.86Å; V144-R147 PolarHBondContact O-N 3.21Å; V144-L148 HydrophobicContact CG1-CD1 3.83Å; V144-L148 HydrophobicContact CG1-CG 4.44Å; V144-L148 WeakPolarHBondContact O-CB 3.34Å; V144-L148 WeakPolarHBondContact O-CG 3.38Å; V144-L148 PolarHBondContact O-N 3.41Å; V144-I161 HydrophobicContact CG1-CG2 4.01Å; V144-V164 HydrophobicContact CB-CG1 4.18Å; V144-V164 HydrophobicContact CG1-CB 3.94Å; V144-V164 HydrophobicContact CG1-CG1 3.97Å; V144-V164 HydrophobicContact CG1-CG2 4.4Å; V144-V164 HydrophobicContact CG2-CB 4.4Å; V144-V164 HydrophobicContact CG2-CG1 3.95Å; V144-F165 HydrophobicContact CB-CE2 4.38Å; V144-F165 HydrophobicContact CG1-CD2 4.49Å; V144-F165 HydrophobicContact CG1-CE2 4.32Å; V144-F165 HydrophobicContact CG2-CD1 4.06Å; V144-F165 HydrophobicContact CG2-CD2 3.9Å; V144-F165 HydrophobicContact CG2-CE1 3.91Å; V144-F165 HydrophobicContact CG2-CE2 3.76Å; V144-F165 HydrophobicContact CG2-CG 4.03Å; V144-F165 HydrophobicContact CG2-CZ 3.76Å; V144-I168 HydrophobicContact CG2-CD1 3.99Å |
| 145 | R | 94.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 26 Ų | 26 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 173.2 | 177.7 | -171.1 | 177.1 | -162.1 | -0.5 | 111.7 | D48 A88 M89 L141 V143 R147 L148 A149 | D48-R145 VanDerWaalsContact CB-NH2 3.31Å; D48-R145 IonicContact OD2-CZ 2.81Å; D48-R145 IonicContact OD2-NH1 2.7Å; D48-R145 IonicContact OD2-NH2 3.95Å; D48-R145 PolarHBondContact OD2-NH2 2.92Å; A88-R145 HydrophobicContact CB-CB 3.96Å; M89-R145 PolarHBondContact SD-NH1 3.3Å; L141-R145 VanDerWaalsContact O-CB 3.22Å; L141-R145 WeakPolarHBondContact O-CB 3.36Å; L141-R145 PolarHBondContact O-N 3.43Å; V143-R145 VanDerWaalsContact C-N 3.33Å; V143-R145 PolarHBondContact O-N 2.87Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.27Å; R145-L148 PolarHBondContact O-N 3.36Å; R145-A149 VanDerWaalsContact O-CB 3.3Å; R145-A149 WeakPolarHBondContact O-CB 3.48Å; R145-A149 PolarHBondContact O-N 3.31Å |
| 146 | A | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D142 V143 V144 A149 F150 Q258 L259 | D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 3.05Å; V143-A146 PolarHBondContact O-N 3.17Å; V143-A146 VanDerWaalsContact O-N 3.13Å; V144-A146 VanDerWaalsContact C-N 3.35Å; V144-A146 PolarHBondContact O-N 2.86Å; A146-A149 PolarHBondContact O-N 2.86Å; A146-F150 WeakPolarHBondContact O-CB 3.46Å; A146-F150 PolarHBondContact O-N 3.12Å; A146-Q258 HydrophobicContact CB-CB 3.99Å; A146-L259 HydrophobicContact CB-CD2 4.28Å; A146-L259 WeakPolarHBondContact O-CD2 3.45Å |
| 147 | R | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 178.6 | -65.8 | -175.8 | -172.3 | -148.9 | 2.3 | 112.6 | V143 V144 R145 A149 F150 Q151 Y158 V164 E172 Q258 T261 | V143-R147 PolarHBondContact O-N 3.41Å; V144-R147 PolarHBondContact O-N 3.21Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.27Å; R147-A149 VanDerWaalsContact C-N 3.34Å; R147-A149 PolarHBondContact O-N 3.42Å; R147-F150 PolarHBondContact O-N 3.5Å; R147-Q151 PolarHBondContact O-N 3.48Å; R147-Y158 HydrophobicContact CB-CE2 4.09Å; R147-V164 HydrophobicContact CB-CG1 4.08Å; R147-E172 IonicContact CZ-OE1 3.24Å; R147-E172 IonicContact CZ-OE2 3.77Å; R147-E172 IonicContact NH1-OE1 2.79Å; R147-E172 PolarHBondContact NH1-OE1 3.38Å; R147-E172 IonicContact NH2-OE1 2.84Å; R147-E172 PolarHBondContact NH2-OE1 3.06Å; R147-E172 IonicContact NH2-OE2 2.83Å; R147-E172 PolarHBondContact NH2-OE2 3.08Å; R147-Q258 PolarHBondContact NE-O 2.91Å; R147-T261 PolarHBondContact NH1-OG1 3.15Å |
| 148 | L | 93.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 175.4 | -75.6 | 172.2 | 0 | 0 | 0 | 113.1 | A88 V144 R145 Q151 I161 V164 | A88-L148 HydrophobicContact CB-CD1 4.23Å; V144-L148 HydrophobicContact CG1-CD1 3.83Å; V144-L148 HydrophobicContact CG1-CG 4.44Å; V144-L148 WeakPolarHBondContact O-CB 3.34Å; V144-L148 WeakPolarHBondContact O-CG 3.38Å; V144-L148 PolarHBondContact O-N 3.41Å; R145-L148 PolarHBondContact O-N 3.36Å; L148-Q151 WeakPolarHBondContact O-CG 3.32Å; L148-I161 HydrophobicContact CD1-CG1 3.76Å; L148-V164 HydrophobicContact CD1-CG2 4.27Å; L148-V164 HydrophobicContact CD2-CG2 3.49Å; L148-V164 VanDerWaalsContact CD2-CG2 3.49Å; L148-V164 HydrophobicContact CG-CG2 3.65Å |
| 149 | A | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.8 | -29.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R49 I52 R145 A146 R147 | R49-A149 HydrophobicContact CG-CB 4.37Å; R49-A149 PolarHBondContact NE-O 2.91Å; I52-A149 HydrophobicContact CB-CB 4.36Å; I52-A149 HydrophobicContact CD1-CB 3.59Å; I52-A149 HydrophobicContact CG2-CB 4.13Å; R145-A149 VanDerWaalsContact O-CB 3.3Å; R145-A149 WeakPolarHBondContact O-CB 3.48Å; R145-A149 PolarHBondContact O-N 3.31Å; A146-A149 PolarHBondContact O-N 2.86Å; R147-A149 VanDerWaalsContact C-N 3.34Å; R147-A149 PolarHBondContact O-N 3.42Å |
| 150 | F | 93.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.4 | -27.7 | -179.5 | -174.6 | -102.9 | 0 | 0 | 0 | 114.1 | I52 L53 N58 A146 R147 L259 A262 L263 | I52-F150 HydrophobicContact CG2-CB 4.14Å; L53-F150 HydrophobicContact CD2-CD2 4.49Å; L53-F150 WeakPolarHBondContact CD2-O 3.41Å; N58-F150 HydrophobicContact CB-CD2 4.24Å; N58-F150 HydrophobicContact CB-CE2 3.56Å; N58-F150 HydrophobicContact CB-CZ 3.94Å; N58-F150 PolarHBondContact ND2-O 2.97Å; A146-F150 WeakPolarHBondContact O-CB 3.46Å; A146-F150 PolarHBondContact O-N 3.12Å; R147-F150 PolarHBondContact O-N 3.5Å; F150-L259 HydrophobicContact CB-CD2 3.4Å; F150-L259 HydrophobicContact CD1-CD2 4.24Å; F150-L259 HydrophobicContact CD2-CD1 3.58Å; F150-L259 HydrophobicContact CD2-CD2 4.06Å; F150-L259 HydrophobicContact CD2-CG 4.47Å; F150-L259 HydrophobicContact CE2-CD1 3.8Å; F150-L259 HydrophobicContact CG-CD1 3.97Å; F150-L259 HydrophobicContact CG-CD2 3.65Å; F150-L259 HydrophobicContact CG-CG 4.42Å; F150-L259 HydrophobicContact CZ-CD1 4.35Å; F150-A262 HydrophobicContact CD1-CB 4.11Å; F150-A262 HydrophobicContact CE1-CB 4.48Å; F150-L263 HydrophobicContact CE1-CD2 4.28Å; F150-L263 HydrophobicContact CE2-CD2 4.25Å; F150-L263 HydrophobicContact CZ-CD2 3.72Å |
| 151 | Q | 90.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 147.9 | 175.8 | 60.1 | 168.2 | 9.2 | 0 | 0 | 112.3 | R49 R147 L148 Y158 | R49-Q151 PolarHBondContact NH2-O 3.07Å; R147-Q151 PolarHBondContact O-N 3.48Å; L148-Q151 WeakPolarHBondContact O-CG 3.32Å; Q151-Y158 PolarHBondContact NE2-O 2.85Å; Q151-Y158 PolarHBondContact OE1-O 3.2Å | ||
| 152 | V | 87.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -120.9 | 147.4 | -175.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | L53 Y61 E77 G154 D155 | L53-V152 HydrophobicContact CD2-CG2 4.18Å; Y61-V152 HydrophobicContact CD2-CG2 4.29Å; Y61-V152 HydrophobicContact CE2-CG1 3.94Å; Y61-V152 HydrophobicContact CE2-CG2 3.75Å; E77-V152 HydrophobicContact CG-CG1 4.08Å; E77-V152 WeakPolarHBondContact OE2-CA 3.41Å; V152-G154 PolarHBondContact O-N 3.41Å; V152-D155 CarbonylContact O-C 3.58Å; V152-D155 PolarHBondContact O-N 2.93Å; V152-D155 VanDerWaalsContact O-N 3.15Å |
| 153 | K | 78.4 | Confident | 88.4 | Confident | 129 Ų | 129 | 45.8 Ų | 45.8 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.7 | 171.8 | -161.9 | 178.9 | -178.5 | -178.7 | 0 | 110 | E77 | E77-K153 HydrophobicContact CB-CB 4.08Å; E77-K153 HydrophobicContact CG-CB 3.75Å; E77-K153 PolarHBondContact OE2-N 3.32Å |
| 154 | G | 71.7 | Confident | 88.3 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 86% | 0.856 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | -24.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V152 | V152-G154 PolarHBondContact O-N 3.41Š|
| 155 | D | 78.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -124.7 | 58.8 | 169 | -177.6 | 15.7 | 0 | 0 | 0 | 108.2 | V152 R157 | V152-D155 CarbonylContact O-C 3.58Å; V152-D155 PolarHBondContact O-N 2.93Å; V152-D155 VanDerWaalsContact O-N 3.15Å; D155-R157 PolarHBondContact O-N 3.09Å; D155-R157 IonicContact OD1-NE 3.43Å; D155-R157 PolarHBondContact OD1-NE 3.25Å; D155-R157 IonicContact OD2-CZ 3.72Å; D155-R157 IonicContact OD2-NE 3.55Å; D155-R157 IonicContact OD2-NH2 3.03Å; D155-R157 PolarHBondContact OD2-NH2 3.01Å |
| 156 | Q | 77.1 | Confident | 88.3 | Confident | 119 Ų | 119 | 54.9 Ų | 54.9 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | trans | -79.5 | 104.1 | 178.8 | -69.4 | -158 | -68.7 | 0 | 0 | 109.8 | ||||
| 157 | R | 80.1 | Confident | 88.2 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | trans | -86.6 | -17.6 | 175.5 | -61.8 | -175.6 | -168.5 | 169.9 | 10 | 113.1 | D155 A262 | D155-R157 PolarHBondContact O-N 3.09Å; D155-R157 IonicContact OD1-NE 3.43Å; D155-R157 PolarHBondContact OD1-NE 3.25Å; D155-R157 IonicContact OD2-CZ 3.72Å; D155-R157 IonicContact OD2-NE 3.55Å; D155-R157 IonicContact OD2-NH2 3.03Å; D155-R157 PolarHBondContact OD2-NH2 3.01Å; R157-A262 PolarHBondContact NH1-O 3.4Å | ||
| 158 | Y | 86.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | trans | -138.3 | 134.2 | -175.2 | -49.4 | -74.4 | 0 | 0 | 0 | 111.7 | R147 Q151 D163 V164 | R147-Y158 HydrophobicContact CB-CE2 4.09Å; Q151-Y158 PolarHBondContact NE2-O 2.85Å; Q151-Y158 PolarHBondContact OE1-O 3.2Å; Y158-D163 WeakPolarHBondContact CA-OD2 3.44Å; Y158-V164 HydrophobicContact CD1-CB 4.19Å; Y158-V164 HydrophobicContact CD1-CG2 3.7Å; Y158-V164 HydrophobicContact CD2-CG2 4Å; Y158-V164 HydrophobicContact CE1-CG1 4.45Å; Y158-V164 HydrophobicContact CE1-CG2 4.38Å; Y158-V164 HydrophobicContact CG-CB 4.43Å; Y158-V164 HydrophobicContact CG-CG2 3.47Å; Y158-V164 VanDerWaalsContact CG-CG2 3.47Å | ||
| 159 | S | 84.9 | Confident | 88.1 | Confident | 118 Ų | 118 | 62 Ų | 62 | 83% | 0.825 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -79.7 | -30.4 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | D163 | S159-D163 PolarHBondContact N-OD2 2.82Š|
| 160 | G | 89.1 | Confident | 88.1 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -173.3 | -170.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D163 V164 | G160-D163 PolarHBondContact O-N 3.3Å; G160-V164 WeakPolarHBondContact O-CG2 3.44Å; G160-V164 PolarHBondContact O-N 3.48Å; G160-V164 VanDerWaalsContact O-N 3.11Å |
| 161 | I | 92.4 | Very high | 87.9 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | -178.2 | -64.1 | 174.1 | 0 | 0 | 0 | 111.1 | A88 V144 L148 D163 V164 F165 | A88-I161 HydrophobicContact CB-CD1 4.14Å; A88-I161 HydrophobicContact CB-CG1 4.28Å; V144-I161 HydrophobicContact CG1-CG2 4.01Å; L148-I161 HydrophobicContact CD1-CG1 3.76Å; I161-D163 VanDerWaalsContact C-N 3.31Å; I161-D163 PolarHBondContact O-N 2.93Å; I161-V164 PolarHBondContact O-N 2.69Å; I161-F165 HydrophobicContact CG2-CD2 3.81Å; I161-F165 HydrophobicContact CG2-CE2 3.64Å; I161-F165 VanDerWaalsContact O-CD2 3.27Å; I161-F165 WeakPolarHBondContact O-CD2 3.32Å; I161-F165 PolarHBondContact O-N 2.98Å |
| 162 | I | 93.5 | Very high | 87.9 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 65% | 0.651 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | -178.4 | -62.1 | 170.7 | 0 | 0 | 0 | 111.1 | V164 F165 R166 | I162-V164 PolarHBondContact O-N 3.11Å; I162-F165 WeakPolarHBondContact O-CB 3.29Å; I162-F165 PolarHBondContact O-N 3.11Å; I162-R166 WeakPolarHBondContact O-CB 3.34Å; I162-R166 PolarHBondContact O-N 3.32Å |
| 163 | D | 93.2 | Very high | 88.1 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 179.1 | -172.9 | 30.8 | 0 | 0 | 0 | 111.8 | Y158 S159 G160 I161 R166 S167 | Y158-D163 WeakPolarHBondContact CA-OD2 3.44Å; S159-D163 PolarHBondContact N-OD2 2.82Å; G160-D163 PolarHBondContact O-N 3.3Å; I161-D163 VanDerWaalsContact C-N 3.31Å; I161-D163 PolarHBondContact O-N 2.93Å; D163-R166 PolarHBondContact O-N 2.98Å; D163-S167 VanDerWaalsContact O-CB 3.28Å; D163-S167 WeakPolarHBondContact O-CB 3.28Å; D163-S167 PolarHBondContact O-N 3.28Å |
| 164 | V | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | V144 R147 L148 Y158 G160 I161 I162 S167 I168 | V144-V164 HydrophobicContact CB-CG1 4.18Å; V144-V164 HydrophobicContact CG1-CB 3.94Å; V144-V164 HydrophobicContact CG1-CG1 3.97Å; V144-V164 HydrophobicContact CG1-CG2 4.4Å; V144-V164 HydrophobicContact CG2-CB 4.4Å; V144-V164 HydrophobicContact CG2-CG1 3.95Å; R147-V164 HydrophobicContact CB-CG1 4.08Å; L148-V164 HydrophobicContact CD1-CG2 4.27Å; L148-V164 HydrophobicContact CD2-CG2 3.49Å; L148-V164 VanDerWaalsContact CD2-CG2 3.49Å; L148-V164 HydrophobicContact CG-CG2 3.65Å; Y158-V164 HydrophobicContact CD1-CB 4.19Å; Y158-V164 HydrophobicContact CD1-CG2 3.7Å; Y158-V164 HydrophobicContact CD2-CG2 4Å; Y158-V164 HydrophobicContact CE1-CG1 4.45Å; Y158-V164 HydrophobicContact CE1-CG2 4.38Å; Y158-V164 HydrophobicContact CG-CB 4.43Å; Y158-V164 HydrophobicContact CG-CG2 3.47Å; Y158-V164 VanDerWaalsContact CG-CG2 3.47Å; G160-V164 WeakPolarHBondContact O-CG2 3.44Å; G160-V164 PolarHBondContact O-N 3.48Å; G160-V164 VanDerWaalsContact O-N 3.11Å; I161-V164 PolarHBondContact O-N 2.69Å; I162-V164 PolarHBondContact O-N 3.11Å; V164-S167 PolarHBondContact O-N 3.07Å; V164-I168 HydrophobicContact CG1-CD1 3.76Å; V164-I168 HydrophobicContact CG1-CG1 4.29Å; V164-I168 WeakPolarHBondContact O-CB 3.12Å; V164-I168 WeakPolarHBondContact O-CG1 3.41Å; V164-I168 PolarHBondContact O-N 3.47Å |
| 165 | F | 94.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 73 Ų | 73 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.4 | -51.7 | 175.2 | -87.6 | -74.7 | 0 | 0 | 0 | 111.2 | P140 L141 V144 I161 I162 S167 I168 Y169 F177 | P140-F165 HydrophobicContact CB-CE1 4Å; L141-F165 HydrophobicContact CD2-CE2 4.06Å; L141-F165 HydrophobicContact CD2-CZ 3.82Å; L141-F165 HydrophobicContact CG-CZ 4.46Å; V144-F165 HydrophobicContact CB-CE2 4.38Å; V144-F165 HydrophobicContact CG1-CD2 4.49Å; V144-F165 HydrophobicContact CG1-CE2 4.32Å; V144-F165 HydrophobicContact CG2-CD1 4.06Å; V144-F165 HydrophobicContact CG2-CD2 3.9Å; V144-F165 HydrophobicContact CG2-CE1 3.91Å; V144-F165 HydrophobicContact CG2-CE2 3.76Å; V144-F165 HydrophobicContact CG2-CG 4.03Å; V144-F165 HydrophobicContact CG2-CZ 3.76Å; I161-F165 HydrophobicContact CG2-CD2 3.81Å; I161-F165 HydrophobicContact CG2-CE2 3.64Å; I161-F165 VanDerWaalsContact O-CD2 3.27Å; I161-F165 WeakPolarHBondContact O-CD2 3.32Å; I161-F165 PolarHBondContact O-N 2.98Å; I162-F165 WeakPolarHBondContact O-CB 3.29Å; I162-F165 PolarHBondContact O-N 3.11Å; F165-S167 PolarHBondContact O-N 3.4Å; F165-I168 PolarHBondContact O-N 3.09Å; F165-Y169 PolarHBondContact O-N 2.81Å; F165-F177 HydrophobicContact CD1-CD1 4.15Å; F165-F177 AromaticContact CD1-CE1 3.3Å; F165-F177 HydrophobicContact CD1-CE1 3.3Å; F165-F177 AromaticContact CD1-CZ 3.77Å; F165-F177 HydrophobicContact CD1-CZ 3.77Å; F165-F177 HydrophobicContact CE1-CD1 4.22Å; F165-F177 AromaticContact CE1-CE1 3.82Å; F165-F177 HydrophobicContact CE1-CE1 3.82Å; F165-F177 HydrophobicContact CG-CE1 4.24Å; F165-F177 WeakPolarHBondContact O-CZ 3.29Å |
| 166 | R | 94.3 | Very high | 90.1 | Very high | 149 Ų | 149 | 70 Ų | 70 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.5 | -47.6 | 178 | -178.1 | -179.2 | -65.2 | 153.1 | -3.5 | 111.2 | I162 D163 I168 Y169 H170 | I162-R166 WeakPolarHBondContact O-CB 3.34Å; I162-R166 PolarHBondContact O-N 3.32Å; D163-R166 PolarHBondContact O-N 2.98Å; R166-I168 PolarHBondContact O-N 3.42Å; R166-Y169 PolarHBondContact O-N 3.48Å; R166-H170 PolarHBondContact O-CD2 3.39Å; R166-H170 PolarHBondContact O-N 2.89Å |
| 167 | S | 92.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 112.9 | D163 V164 F165 K171 | D163-S167 VanDerWaalsContact O-CB 3.28Å; D163-S167 WeakPolarHBondContact O-CB 3.28Å; D163-S167 PolarHBondContact O-N 3.28Å; V164-S167 PolarHBondContact O-N 3.07Å; F165-S167 PolarHBondContact O-N 3.4Å; S167-K171 VanDerWaalsContact O-CB 3.28Å; S167-K171 WeakPolarHBondContact O-CB 2.96Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.42Å; S167-K171 VanDerWaalsContact O-N 3.09Å; S167-K171 PolarHBondContact OG-NZ 3.12Å |
| 168 | I | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -48 | 174.6 | -69.6 | 164.5 | 0 | 0 | 0 | 109.4 | V143 V144 V164 F165 R166 H170 K171 E172 G173 F177 | V143-I168 HydrophobicContact CG1-CD1 3.83Å; V144-I168 HydrophobicContact CG2-CD1 3.99Å; V164-I168 HydrophobicContact CG1-CD1 3.76Å; V164-I168 HydrophobicContact CG1-CG1 4.29Å; V164-I168 WeakPolarHBondContact O-CB 3.12Å; V164-I168 WeakPolarHBondContact O-CG1 3.41Å; V164-I168 PolarHBondContact O-N 3.47Å; F165-I168 PolarHBondContact O-N 3.09Å; R166-I168 PolarHBondContact O-N 3.42Å; I168-H170 PolarHBondContact O-N 2.84Å; I168-K171 PolarHBondContact O-N 3.49Å; I168-E172 WeakPolarHBondContact O-CA 3.4Å; I168-E172 PolarHBondContact O-N 2.89Å; I168-G173 PolarHBondContact O-N 3.23Å; I168-F177 HydrophobicContact CB-CD1 4.27Å; I168-F177 HydrophobicContact CB-CE1 3.65Å; I168-F177 HydrophobicContact CB-CE2 4.44Å; I168-F177 HydrophobicContact CB-CZ 3.76Å; I168-F177 HydrophobicContact CD1-CD1 3.98Å; I168-F177 HydrophobicContact CD1-CE1 3.72Å; I168-F177 HydrophobicContact CG1-CE1 4.29Å; I168-F177 HydrophobicContact CG2-CD1 3.73Å; I168-F177 HydrophobicContact CG2-CD2 4.03Å; I168-F177 HydrophobicContact CG2-CE1 3.57Å; I168-F177 HydrophobicContact CG2-CE2 3.9Å; I168-F177 HydrophobicContact CG2-CG 3.95Å; I168-F177 HydrophobicContact CG2-CZ 3.67Å |
| 169 | Y | 94.1 | Very high | 91.9 | Very high | 147 Ų | 147 | 68.6 Ų | 68.6 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | -177.9 | -174.8 | -100.2 | 0 | 0 | 0 | 112 | F165 R166 G173 F177 | F165-Y169 PolarHBondContact O-N 2.81Å; R166-Y169 PolarHBondContact O-N 3.48Å; Y169-G173 WeakPolarHBondContact O-CA 3.33Å; Y169-G173 PolarHBondContact O-N 3.39Å; Y169-G173 VanDerWaalsContact O-N 3.09Å; Y169-F177 HydrophobicContact CD2-CE2 4.37Å |
| 170 | H | 92.3 | Very high | 92.2 | Very high | 142 Ų | 142 | 63.1 Ų | 63.1 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.3 | -35.7 | 179.7 | -71.6 | -67 | 0 | 0 | 0 | 114.3 | R166 I168 | R166-H170 PolarHBondContact O-CD2 3.39Å; R166-H170 PolarHBondContact O-N 2.89Å; I168-H170 PolarHBondContact O-N 2.84Å |
| 171 | K | 90.3 | Very high | 92.4 | Very high | 144 Ų | 144 | 63.2 Ų | 63.2 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -90.2 | -30.5 | -175 | -65 | -179.2 | -178.6 | 169.2 | 0 | 114.1 | S167 I168 | S167-K171 VanDerWaalsContact O-CB 3.28Å; S167-K171 WeakPolarHBondContact O-CB 2.96Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.42Å; S167-K171 VanDerWaalsContact O-N 3.09Å; S167-K171 PolarHBondContact OG-NZ 3.12Å; I168-K171 PolarHBondContact O-N 3.49Å |
| 172 | E | 89.1 | Confident | 92.5 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -129 | -5.1 | -170.7 | -64.2 | 176.2 | -135.3 | 0 | 0 | 113.3 | R147 I168 S175 R179 T261 | R147-E172 IonicContact CZ-OE1 3.24Å; R147-E172 IonicContact CZ-OE2 3.77Å; R147-E172 IonicContact NH1-OE1 2.79Å; R147-E172 PolarHBondContact NH1-OE1 3.38Å; R147-E172 IonicContact NH2-OE1 2.84Å; R147-E172 PolarHBondContact NH2-OE1 3.06Å; R147-E172 IonicContact NH2-OE2 2.83Å; R147-E172 PolarHBondContact NH2-OE2 3.08Å; I168-E172 WeakPolarHBondContact O-CA 3.4Å; I168-E172 PolarHBondContact O-N 2.89Å; E172-S175 PolarHBondContact O-OG 3.36Å; E172-S175 VanDerWaalsContact O-OG 3.11Å; E172-R179 VanDerWaalsContact CD-NH1 3.32Å; E172-R179 IonicContact OE1-NH1 3.19Å; E172-R179 WeakPolarHBondContact OE2-CD 3.12Å; E172-R179 IonicContact OE2-CZ 3.63Å; E172-R179 VanDerWaalsContact OE2-CZ 3.32Å; E172-R179 IonicContact OE2-NE 2.82Å; E172-R179 PolarHBondContact OE2-NE 3.5Å; E172-R179 IonicContact OE2-NH1 3.49Å; E172-R179 PolarHBondContact OE2-NH1 3.11Å; E172-T261 HydrophobicContact CG-CG2 3.82Å; E172-T261 WeakPolarHBondContact OE1-CB 3.33Å; E172-T261 WeakPolarHBondContact OE1-CG2 3.35Å; E172-T261 PolarHBondContact OE1-N 2.7Å; E172-T261 PolarHBondContact OE1-OG1 2.98Å |
| 173 | G | 91.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 58.7 Ų | 58.7 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | 65.2 | -166.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I168 Y169 S175 G176 | I168-G173 PolarHBondContact O-N 3.23Å; Y169-G173 WeakPolarHBondContact O-CA 3.33Å; Y169-G173 PolarHBondContact O-N 3.39Å; Y169-G173 VanDerWaalsContact O-N 3.09Å; G173-S175 PolarHBondContact O-N 3.07Å; G173-G176 PolarHBondContact O-N 3.43Å |
| 174 | A | 90.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 55% | 0.554 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.1 | -30.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G176 F177 | A174-G176 PolarHBondContact O-N 2.82Å; A174-F177 PolarHBondContact O-N 2.9Å |
| 175 | S | 89.8 | Confident | 92.5 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 57% | 0.566 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.4 | -29.3 | 178.7 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | E172 G173 F177 Y178 R179 | E172-S175 PolarHBondContact O-OG 3.36Å; E172-S175 VanDerWaalsContact O-OG 3.11Å; G173-S175 PolarHBondContact O-N 3.07Å; S175-F177 PolarHBondContact O-N 3.41Å; S175-Y178 PolarHBondContact O-N 3.28Å; S175-Y178 VanDerWaalsContact O-N 3.08Å; S175-R179 PolarHBondContact O-N 3.45Å |
| 176 | G | 90.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -34 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G173 A174 Y178 R179 | G173-G176 PolarHBondContact O-N 3.43Å; A174-G176 PolarHBondContact O-N 2.82Å; G176-Y178 PolarHBondContact O-N 2.9Å; G176-R179 PolarHBondContact O-N 2.88Å |
| 177 | F | 93.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.9 | 178.2 | -66.2 | -66.5 | 0 | 0 | 0 | 113.9 | Y139 P140 V143 F165 I168 Y169 A174 S175 | Y139-F177 WeakPolarHBondContact CD1-O 3.44Å; P140-F177 HydrophobicContact CB-CB 4.06Å; P140-F177 HydrophobicContact CB-CD1 4Å; P140-F177 HydrophobicContact CB-CG 4.26Å; P140-F177 HydrophobicContact CG-CB 4.12Å; V143-F177 WeakPolarHBondContact CG2-O 3.29Å; F165-F177 HydrophobicContact CD1-CD1 4.15Å; F165-F177 AromaticContact CD1-CE1 3.3Å; F165-F177 HydrophobicContact CD1-CE1 3.3Å; F165-F177 AromaticContact CD1-CZ 3.77Å; F165-F177 HydrophobicContact CD1-CZ 3.77Å; F165-F177 HydrophobicContact CE1-CD1 4.22Å; F165-F177 AromaticContact CE1-CE1 3.82Å; F165-F177 HydrophobicContact CE1-CE1 3.82Å; F165-F177 HydrophobicContact CG-CE1 4.24Å; F165-F177 WeakPolarHBondContact O-CZ 3.29Å; I168-F177 HydrophobicContact CB-CD1 4.27Å; I168-F177 HydrophobicContact CB-CE1 3.65Å; I168-F177 HydrophobicContact CB-CE2 4.44Å; I168-F177 HydrophobicContact CB-CZ 3.76Å; I168-F177 HydrophobicContact CD1-CD1 3.98Å; I168-F177 HydrophobicContact CD1-CE1 3.72Å; I168-F177 HydrophobicContact CG1-CE1 4.29Å; I168-F177 HydrophobicContact CG2-CD1 3.73Å; I168-F177 HydrophobicContact CG2-CD2 4.03Å; I168-F177 HydrophobicContact CG2-CE1 3.57Å; I168-F177 HydrophobicContact CG2-CE2 3.9Å; I168-F177 HydrophobicContact CG2-CG 3.95Å; I168-F177 HydrophobicContact CG2-CZ 3.67Å; Y169-F177 HydrophobicContact CD2-CE2 4.37Å; A174-F177 PolarHBondContact O-N 2.9Å; S175-F177 PolarHBondContact O-N 3.41Å |
| 178 | Y | 94.3 | Very high | 92 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 8.7 | -177.1 | -65.5 | -82.8 | 0 | 0 | 0 | 113.2 | Y139 S175 G176 G180 L181 | Y139-Y178 HydrophobicContact CD1-CD1 4.17Å; S175-Y178 PolarHBondContact O-N 3.28Å; S175-Y178 VanDerWaalsContact O-N 3.08Å; G176-Y178 PolarHBondContact O-N 2.9Å; Y178-G180 PolarHBondContact O-N 2.85Å; Y178-L181 HydrophobicContact CD1-CD2 4.03Å; Y178-L181 VanDerWaalsContact O-CB 3.25Å; Y178-L181 WeakPolarHBondContact O-CB 3.09Å; Y178-L181 PolarHBondContact O-N 3.38Å |
| 179 | R | 91.9 | Very high | 91.8 | Very high | 82 Ų | 82 | 59.1 Ų | 59.1 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 124.5 | 175.5 | -75.1 | -176 | 167.2 | -176.1 | -10.5 | 111.4 | Y139 E172 S175 G176 M257 Q258 | Y139-R179 VanDerWaalsContact CE1-O 3.31Å; Y139-R179 WeakPolarHBondContact CE1-O 3.14Å; Y139-R179 PolarHBondContact OH-O 2.99Å; E172-R179 VanDerWaalsContact CD-NH1 3.32Å; E172-R179 IonicContact OE1-NH1 3.19Å; E172-R179 WeakPolarHBondContact OE2-CD 3.12Å; E172-R179 IonicContact OE2-CZ 3.63Å; E172-R179 VanDerWaalsContact OE2-CZ 3.32Å; E172-R179 IonicContact OE2-NE 2.82Å; E172-R179 PolarHBondContact OE2-NE 3.5Å; E172-R179 IonicContact OE2-NH1 3.49Å; E172-R179 PolarHBondContact OE2-NH1 3.11Å; S175-R179 PolarHBondContact O-N 3.45Å; G176-R179 PolarHBondContact O-N 2.88Å; R179-M257 WeakPolarHBondContact CB-O 3.48Å; R179-Q258 WeakPolarHBondContact O-CG 3.18Å |
| 180 | G | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 3.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y139 Y178 T182 P183 T184 | Y139-G180 VanDerWaalsContact OH-CA 3.27Å; Y139-G180 WeakPolarHBondContact OH-CA 3.44Å; Y139-G180 PolarHBondContact OH-O 2.92Å; Y139-G180 VanDerWaalsContact OH-O 3.09Å; Y178-G180 PolarHBondContact O-N 2.85Å; G180-T182 VanDerWaalsContact C-N 3.32Å; G180-T182 PolarHBondContact O-N 2.96Å; G180-P183 VanDerWaalsContact O-CD 3.3Å; G180-P183 WeakPolarHBondContact O-CD 3.37Å; G180-P183 VanDerWaalsContact O-CG 3.28Å; G180-P183 WeakPolarHBondContact O-CG 3.36Å; G180-T184 WeakPolarHBondContact O-CB 3.49Å; G180-T184 PolarHBondContact O-N 2.92Å; G180-T184 PolarHBondContact O-OG1 3.42Å |
| 181 | L | 93.9 | Very high | 91.6 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175 | 179.8 | 65.3 | 0 | 0 | 0 | 110.9 | V135 I136 Y139 Y178 T184 L185 | V135-L181 HydrophobicContact CG1-CD1 4.42Å; I136-L181 HydrophobicContact CG1-CD1 4.15Å; I136-L181 HydrophobicContact CG1-CD2 4.34Å; Y139-L181 HydrophobicContact CD1-CB 4.29Å; Y139-L181 HydrophobicContact CD2-CB 4.5Å; Y139-L181 HydrophobicContact CD2-CD1 3.65Å; Y139-L181 HydrophobicContact CE1-CB 4.08Å; Y139-L181 HydrophobicContact CE2-CB 4.29Å; Y139-L181 HydrophobicContact CE2-CD1 4.02Å; Y139-L181 HydrophobicContact CG-CD1 3.96Å; Y139-L181 PolarHBondContact OH-N 3.44Å; Y178-L181 HydrophobicContact CD1-CD2 4.03Å; Y178-L181 VanDerWaalsContact O-CB 3.25Å; Y178-L181 WeakPolarHBondContact O-CB 3.09Å; Y178-L181 PolarHBondContact O-N 3.38Å; L181-T184 WeakPolarHBondContact O-CA 3.44Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 2.75Å; L181-T184 VanDerWaalsContact O-N 3.1Å; L181-L185 HydrophobicContact CD1-CD1 4.07Å; L181-L185 HydrophobicContact CD1-CD2 4.32Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CD2-CD1 4.35Å; L181-L185 HydrophobicContact CG-CD1 3.91Å; L181-L185 HydrophobicContact CG-CG 4.2Å; L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 2.86Å |
| 182 | T | 93.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 47 Ų | 47 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -57 | 178.3 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | G180 T184 L185 V186 P272 | G180-T182 VanDerWaalsContact C-N 3.32Å; G180-T182 PolarHBondContact O-N 2.96Å; T182-T184 PolarHBondContact O-N 3.32Å; T182-L185 PolarHBondContact O-N 2.93Å; T182-V186 HydrophobicContact CG2-CG2 4.3Å; T182-V186 WeakPolarHBondContact O-CB 3.42Å; T182-V186 WeakPolarHBondContact O-CG2 3.15Å; T182-V186 PolarHBondContact O-N 3.25Å; T182-P272 HydrophobicContact CG2-CG 4.27Å |
| 183 | P | 93.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -24 | 176 | 24 | -33.9 | 0 | 0 | 0 | 113.1 | G180 G187 A253 R254 M257 P272 | G180-P183 VanDerWaalsContact O-CD 3.3Å; G180-P183 WeakPolarHBondContact O-CD 3.37Å; G180-P183 VanDerWaalsContact O-CG 3.28Å; G180-P183 WeakPolarHBondContact O-CG 3.36Å; P183-G187 WeakPolarHBondContact O-CA 3.36Å; P183-G187 PolarHBondContact O-N 3.26Å; P183-A253 HydrophobicContact CB-CB 4.38Å; P183-R254 HydrophobicContact CB-CB 4.23Å; P183-R254 HydrophobicContact CG-CB 4.02Å; P183-M257 HydrophobicContact CG-SD 3.7Å; P183-P272 HydrophobicContact CB-CB 4.08Å; P183-P272 HydrophobicContact CG-CB 4.32Å |
| 184 | T | 93.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -53.7 | 172.6 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | V135 Y139 G180 L181 T182 G187 M188 R254 | V135-T184 HydrophobicContact CG1-CG2 3.92Å; Y139-T184 HydrophobicContact CE2-CG2 4.3Å; Y139-T184 WeakPolarHBondContact CE2-OG1 3.38Å; G180-T184 WeakPolarHBondContact O-CB 3.49Å; G180-T184 PolarHBondContact O-N 2.92Å; G180-T184 PolarHBondContact O-OG1 3.42Å; L181-T184 WeakPolarHBondContact O-CA 3.44Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 2.75Å; L181-T184 VanDerWaalsContact O-N 3.1Å; T182-T184 PolarHBondContact O-N 3.32Å; T184-G187 PolarHBondContact O-N 3.36Å; T184-M188 HydrophobicContact CG2-CE 3.55Å; T184-M188 WeakPolarHBondContact O-CG 3.38Å; T184-M188 PolarHBondContact O-N 3.38Å; T184-R254 VanDerWaalsContact CG2-CZ 3.47Å; T184-R254 WeakPolarHBondContact OG1-CD 3.3Å; T184-R254 WeakPolarHBondContact OG1-CG 3.46Å; T184-R254 PolarHBondContact OG1-NE 2.87Å; T184-R254 PolarHBondContact OG1-NH1 2.93Å |
| 185 | L | 93.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | -177.4 | -64.2 | 177 | 0 | 0 | 0 | 111 | M132 L181 T182 G187 M188 | M132-L185 HydrophobicContact CG-CD2 4.43Å; L181-L185 HydrophobicContact CD1-CD1 4.07Å; L181-L185 HydrophobicContact CD1-CD2 4.32Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CD2-CD1 4.35Å; L181-L185 HydrophobicContact CG-CD1 3.91Å; L181-L185 HydrophobicContact CG-CG 4.2Å; L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 2.86Å; T182-L185 PolarHBondContact O-N 2.93Å; L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 3.06Å; L185-M188 HydrophobicContact CD2-SD 4.41Å; L185-M188 PolarHBondContact O-N 3.26Å |
| 186 | V | 91.9 | Very high | 91.7 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | T182 P190 L250 | T182-V186 HydrophobicContact CG2-CG2 4.3Å; T182-V186 WeakPolarHBondContact O-CB 3.42Å; T182-V186 WeakPolarHBondContact O-CG2 3.15Å; T182-V186 PolarHBondContact O-N 3.25Å; V186-P190 WeakPolarHBondContact O-CD 3.4Å; V186-P190 WeakPolarHBondContact O-CG 3.33Å; V186-L250 HydrophobicContact CG1-CD1 4.15Å |
| 187 | G | 89.9 | Confident | 91.8 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -23.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P183 T184 L185 Y191 | P183-G187 WeakPolarHBondContact O-CA 3.36Å; P183-G187 PolarHBondContact O-N 3.26Å; T184-G187 PolarHBondContact O-N 3.36Å; L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 3.06Å; G187-Y191 VanDerWaalsContact O-CB 3.31Å; G187-Y191 WeakPolarHBondContact O-CB 3.26Å; G187-Y191 PolarHBondContact O-N 3.44Å |
| 188 | M | 90.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 56 Ų | 56 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 179.5 | -75.6 | 169.1 | -178.7 | 0 | 0 | 112.7 | V135 T184 L185 A192 | V135-M188 HydrophobicContact CB-CE 4.39Å; V135-M188 HydrophobicContact CG1-CE 4.12Å; V135-M188 HydrophobicContact CG2-CE 3.69Å; T184-M188 HydrophobicContact CG2-CE 3.55Å; T184-M188 WeakPolarHBondContact O-CG 3.38Å; T184-M188 PolarHBondContact O-N 3.38Å; L185-M188 HydrophobicContact CD2-SD 4.41Å; L185-M188 PolarHBondContact O-N 3.26Å; M188-A192 WeakPolarHBondContact O-CB 3.21Å; M188-A192 PolarHBondContact O-N 3.39Å |
| 189 | A | 89.3 | Confident | 91.5 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.8 | -49.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y191 A192 G193 | A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.27Å; A189-A192 PolarHBondContact O-N 3.02Å; A189-G193 PolarHBondContact O-N 3.02Å |
| 190 | P | 91.3 | Very high | 91.3 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 173.9 | -22.9 | 33.4 | 0 | 0 | 0 | 112.3 | V186 L194 | V186-P190 WeakPolarHBondContact O-CD 3.4Å; V186-P190 WeakPolarHBondContact O-CG 3.33Å; P190-L194 VanDerWaalsContact O-CB 3.24Å; P190-L194 WeakPolarHBondContact O-CB 3.35Å; P190-L194 VanDerWaalsContact O-CG 3.26Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 2.85Å |
| 191 | Y | 90.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 177.3 | 176.9 | -97.2 | 0 | 0 | 0 | 111.3 | G187 A189 S195 A243 Q244 S247 | G187-Y191 VanDerWaalsContact O-CB 3.31Å; G187-Y191 WeakPolarHBondContact O-CB 3.26Å; G187-Y191 PolarHBondContact O-N 3.44Å; A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.27Å; Y191-S195 WeakPolarHBondContact O-CB 3.27Å; Y191-S195 PolarHBondContact O-N 3.41Å; Y191-A243 HydrophobicContact CD2-CB 3.88Å; Y191-A243 HydrophobicContact CE2-CB 4.09Å; Y191-A243 WeakPolarHBondContact O-CB 3.34Å; Y191-Q244 HydrophobicContact CD2-CB 4.5Å; Y191-Q244 HydrophobicContact CE2-CB 4.05Å; Y191-S247 WeakPolarHBondContact CA-OG 3.44Å; Y191-S247 PolarHBondContact N-OG 3.23Å |
| 192 | A | 89.3 | Confident | 90.9 | Very high | 38 Ų | 38 | 55 Ų | 55 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M188 A189 L194 S195 F196 | M188-A192 WeakPolarHBondContact O-CB 3.21Å; M188-A192 PolarHBondContact O-N 3.39Å; A189-A192 PolarHBondContact O-N 3.02Å; A192-L194 PolarHBondContact O-N 3.29Å; A192-S195 PolarHBondContact O-N 2.81Å; A192-F196 HydrophobicContact CB-CD2 4.42Å; A192-F196 HydrophobicContact CB-CE2 4.34Å; A192-F196 WeakPolarHBondContact O-CD2 3.33Å; A192-F196 PolarHBondContact O-N 3.42Å |
| 193 | G | 90.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A189 F196 F197 | A189-G193 PolarHBondContact O-N 3.02Å; G193-F196 PolarHBondContact O-N 3.44Å; G193-F197 VanDerWaalsContact O-CB 3.22Å; G193-F197 WeakPolarHBondContact O-CB 3.16Å; G193-F197 PolarHBondContact O-N 3.49Å |
| 194 | L | 93.7 | Very high | 90 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 178.1 | -67.9 | 169.9 | 0 | 0 | 0 | 111.8 | P190 A192 F197 T198 F242 A243 V246 | P190-L194 VanDerWaalsContact O-CB 3.24Å; P190-L194 WeakPolarHBondContact O-CB 3.35Å; P190-L194 VanDerWaalsContact O-CG 3.26Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 2.85Å; A192-L194 PolarHBondContact O-N 3.29Å; L194-F197 PolarHBondContact O-N 2.9Å; L194-T198 VanDerWaalsContact O-CB 3.31Å; L194-T198 WeakPolarHBondContact O-CB 3.23Å; L194-T198 PolarHBondContact O-N 3.35Å; L194-T198 PolarHBondContact O-OG1 2.94Å; L194-F242 HydrophobicContact CD2-CE1 4.43Å; L194-A243 HydrophobicContact CB-CB 3.92Å; L194-V246 HydrophobicContact CD1-CB 3.6Å; L194-V246 HydrophobicContact CD1-CG1 3.46Å; L194-V246 VanDerWaalsContact CD1-CG1 3.46Å; L194-V246 HydrophobicContact CD1-CG2 4.05Å |
| 195 | S | 91.8 | Very high | 89.5 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | Y191 A192 F199 A239 | Y191-S195 WeakPolarHBondContact O-CB 3.27Å; Y191-S195 PolarHBondContact O-N 3.41Å; A192-S195 PolarHBondContact O-N 2.81Å; S195-F199 WeakPolarHBondContact O-CB 3.18Å; S195-F199 PolarHBondContact O-N 2.95Å; S195-A239 WeakPolarHBondContact O-CB 3.26Å |
| 196 | F | 90 | Very high | 88.9 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.4 | -40.8 | 177.2 | -74.8 | -60.6 | 0 | 0 | 0 | 112.2 | A192 G193 G200 | A192-F196 HydrophobicContact CB-CD2 4.42Å; A192-F196 HydrophobicContact CB-CE2 4.34Å; A192-F196 WeakPolarHBondContact O-CD2 3.33Å; A192-F196 PolarHBondContact O-N 3.42Å; G193-F196 PolarHBondContact O-N 3.44Å; F196-G200 PolarHBondContact O-N 3.45Å |
| 197 | F | 92.1 | Very high | 88.3 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 61% | 0.614 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.8 | -52.4 | 176.9 | 178.6 | -98.9 | 0 | 0 | 0 | 111.6 | G193 L194 F199 G200 T201 | G193-F197 VanDerWaalsContact O-CB 3.22Å; G193-F197 WeakPolarHBondContact O-CB 3.16Å; G193-F197 PolarHBondContact O-N 3.49Å; L194-F197 PolarHBondContact O-N 2.9Å; F197-F199 PolarHBondContact O-N 3Å; F197-G200 PolarHBondContact O-N 3.04Å; F197-T201 WeakPolarHBondContact O-CB 3.48Å; F197-T201 PolarHBondContact O-N 3.3Å; F197-T201 PolarHBondContact O-OG1 3.45Å; F197-T201 VanDerWaalsContact O-OG1 3.05Å |
| 198 | T | 92.2 | Very high | 87.7 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L194 T201 L202 A239 F242 | L194-T198 VanDerWaalsContact O-CB 3.31Å; L194-T198 WeakPolarHBondContact O-CB 3.23Å; L194-T198 PolarHBondContact O-N 3.35Å; L194-T198 PolarHBondContact O-OG1 2.94Å; T198-T201 PolarHBondContact O-N 2.84Å; T198-L202 HydrophobicContact CG2-CD1 3.93Å; T198-L202 HydrophobicContact CG2-CG 4.28Å; T198-L202 WeakPolarHBondContact O-CB 3.17Å; T198-L202 VanDerWaalsContact O-CG 3.24Å; T198-L202 WeakPolarHBondContact O-CG 3.43Å; T198-L202 PolarHBondContact O-N 3.4Å; T198-A239 HydrophobicContact CG2-CB 3.89Å; T198-F242 HydrophobicContact CG2-CD1 4.45Å; T198-F242 VanDerWaalsContact OG1-CD1 3.24Å; T198-F242 WeakPolarHBondContact OG1-CD1 3.18Å |
| 199 | F | 89.6 | Confident | 87.2 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 23% | 0.228 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.9 | 177 | -97.5 | 0 | 0 | 0 | 112.1 | S195 F197 L202 K203 N232 C235 A239 | S195-F199 WeakPolarHBondContact O-CB 3.18Å; S195-F199 PolarHBondContact O-N 2.95Å; F197-F199 PolarHBondContact O-N 3Å; F199-L202 PolarHBondContact O-N 3.15Å; F199-K203 HydrophobicContact CE1-CD 4.33Å; F199-K203 VanDerWaalsContact O-CB 3.26Å; F199-K203 WeakPolarHBondContact O-CB 2.83Å; F199-K203 PolarHBondContact O-N 3.32Å; F199-N232 WeakPolarHBondContact CE2-OD1 3.2Å; F199-N232 WeakPolarHBondContact CZ-OD1 3.31Å; F199-C235 HydrophobicContact CD2-CB 4.14Å; F199-C235 HydrophobicContact CE2-CB 4.22Å; F199-A239 HydrophobicContact CB-CB 3.85Å |
| 200 | G | 86.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F196 F197 K203 S204 | F196-G200 PolarHBondContact O-N 3.45Å; F197-G200 PolarHBondContact O-N 3.04Å; G200-K203 PolarHBondContact O-N 2.79Å; G200-S204 VanDerWaalsContact O-CB 3.3Å; G200-S204 WeakPolarHBondContact O-CB 3.42Å; G200-S204 PolarHBondContact O-N 2.95Å |
| 201 | T | 89.7 | Confident | 85.6 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.2 | -61 | 0 | 0 | 0 | 0 | 111.7 | F197 T198 K203 S204 Q205 | F197-T201 WeakPolarHBondContact O-CB 3.48Å; F197-T201 PolarHBondContact O-N 3.3Å; F197-T201 PolarHBondContact O-OG1 3.45Å; F197-T201 VanDerWaalsContact O-OG1 3.05Å; T198-T201 PolarHBondContact O-N 2.84Å; T201-K203 VanDerWaalsContact C-N 3.34Å; T201-K203 PolarHBondContact O-N 2.92Å; T201-S204 PolarHBondContact O-N 2.68Å; T201-Q205 HydrophobicContact CG2-CG 4.37Å; T201-Q205 WeakPolarHBondContact O-CB 3.5Å; T201-Q205 WeakPolarHBondContact O-CG 3.31Å; T201-Q205 PolarHBondContact O-N 2.97Å |
| 202 | L | 87.6 | Confident | 84.4 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.3 | -72.9 | 174.3 | 0 | 0 | 0 | 111.8 | T198 F199 G206 C235 V238 | T198-L202 HydrophobicContact CG2-CD1 3.93Å; T198-L202 HydrophobicContact CG2-CG 4.28Å; T198-L202 WeakPolarHBondContact O-CB 3.17Å; T198-L202 VanDerWaalsContact O-CG 3.24Å; T198-L202 WeakPolarHBondContact O-CG 3.43Å; T198-L202 PolarHBondContact O-N 3.4Å; F199-L202 PolarHBondContact O-N 3.15Å; L202-G206 WeakPolarHBondContact O-CA 3.41Å; L202-G206 PolarHBondContact O-N 3.42Å; L202-C235 HydrophobicContact CB-CB 4.29Å; L202-C235 HydrophobicContact CD1-CB 4.33Å; L202-V238 HydrophobicContact CD1-CB 4.16Å; L202-V238 HydrophobicContact CD1-CG1 3.98Å |
| 203 | K | 83.9 | Confident | 83.1 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 33% | 0.326 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 176.2 | -178.2 | -178.3 | 175.6 | -175.3 | 0 | 111.2 | F199 G200 T201 L207 L227 | F199-K203 HydrophobicContact CE1-CD 4.33Å; F199-K203 VanDerWaalsContact O-CB 3.26Å; F199-K203 WeakPolarHBondContact O-CB 2.83Å; F199-K203 PolarHBondContact O-N 3.32Å; G200-K203 PolarHBondContact O-N 2.79Å; T201-K203 VanDerWaalsContact C-N 3.34Å; T201-K203 PolarHBondContact O-N 2.92Å; K203-L207 HydrophobicContact CG-CD1 3.98Å; K203-L207 WeakPolarHBondContact O-CB 3.27Å; K203-L207 VanDerWaalsContact O-CG 3.27Å; K203-L207 WeakPolarHBondContact O-CG 3.4Å; K203-L207 PolarHBondContact O-N 2.92Å; K203-L227 HydrophobicContact CG-CD1 4.25Å |
| 204 | S | 83.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 81 Ų | 81 | 54% | 0.538 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -48 | -178.2 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | G200 T201 K208 | G200-S204 VanDerWaalsContact O-CB 3.3Å; G200-S204 WeakPolarHBondContact O-CB 3.42Å; G200-S204 PolarHBondContact O-N 2.95Å; T201-S204 PolarHBondContact O-N 2.68Å; S204-K208 WeakPolarHBondContact O-CB 3.27Å; S204-K208 PolarHBondContact O-N 2.96Å |
| 205 | Q | 83.5 | Confident | 80.4 | Confident | 114 Ų | 114 | 79.1 Ų | 79.1 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 179 | -70.3 | -162.8 | -14.5 | 0 | 0 | 112.8 | T201 K208 H209 | T201-Q205 HydrophobicContact CG2-CG 4.37Å; T201-Q205 WeakPolarHBondContact O-CB 3.5Å; T201-Q205 WeakPolarHBondContact O-CG 3.31Å; T201-Q205 PolarHBondContact O-N 2.97Å; Q205-K208 PolarHBondContact O-N 2.9Å; Q205-H209 PolarHBondContact O-N 3.07Å; Q205-H209 VanDerWaalsContact O-N 3.08Å; Q205-H209 PolarHBondContact O-ND1 3.41Å |
| 206 | G | 80.3 | Confident | 79.1 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L202 K208 H209 F210 L214 | L202-G206 WeakPolarHBondContact O-CA 3.41Å; L202-G206 PolarHBondContact O-N 3.42Å; G206-K208 VanDerWaalsContact C-N 3.29Å; G206-K208 PolarHBondContact O-N 3.49Å; G206-H209 PolarHBondContact O-N 3.34Å; G206-F210 PolarHBondContact O-N 3.16Å; G206-L214 WeakPolarHBondContact O-CD1 3.44Å |
| 207 | L | 79.3 | Confident | 77.9 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 17% | 0.173 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.9 | -32 | 177.4 | -70 | 175.3 | 0 | 0 | 0 | 112.9 | K203 L225 L227 | K203-L207 HydrophobicContact CG-CD1 3.98Å; K203-L207 WeakPolarHBondContact O-CB 3.27Å; K203-L207 VanDerWaalsContact O-CG 3.27Å; K203-L207 WeakPolarHBondContact O-CG 3.4Å; K203-L207 PolarHBondContact O-N 2.92Å; L207-L225 HydrophobicContact CD2-CB 4.05Å; L207-L225 HydrophobicContact CD2-CD2 3.94Å; L207-L225 HydrophobicContact CD2-CG 4.45Å; L207-L227 HydrophobicContact CD1-CD1 4.12Å; L207-L227 HydrophobicContact CD2-CD1 3.48Å; L207-L227 VanDerWaalsContact CD2-CD1 3.48Å; L207-L227 HydrophobicContact CG-CD1 3.52Å |
| 208 | K | 77.5 | Confident | 76.4 | Confident | 170 Ų | 170 | 76.4 Ų | 76.4 | 74% | 0.739 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.6 | -38.4 | 178.3 | -173.2 | 176.1 | 179.3 | -179.3 | 0 | 113.4 | S204 Q205 G206 | S204-K208 WeakPolarHBondContact O-CB 3.27Å; S204-K208 PolarHBondContact O-N 2.96Å; Q205-K208 PolarHBondContact O-N 2.9Å; G206-K208 VanDerWaalsContact C-N 3.29Å; G206-K208 PolarHBondContact O-N 3.49Å |
| 209 | H | 79.6 | Confident | 74.6 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 56% | 0.56 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -93.1 | -32.6 | -174.5 | -69 | 85.3 | 0 | 0 | 0 | 113.7 | Q205 G206 | Q205-H209 PolarHBondContact O-N 3.07Å; Q205-H209 VanDerWaalsContact O-N 3.08Å; Q205-H209 PolarHBondContact O-ND1 3.41Å; G206-H209 PolarHBondContact O-N 3.34Å |
| 210 | F | 76.5 | Confident | 73.1 | Confident | 117 Ų | 117 | 85.4 Ų | 85.4 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | trans | -136.7 | 65.5 | -179.5 | -53 | -84.8 | 0 | 0 | 0 | 111.9 | G206 E212 Q213 L214 | G206-F210 PolarHBondContact O-N 3.16Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.46Å; F210-Q213 HydrophobicContact CB-CB 4.29Å; F210-Q213 PolarHBondContact O-N 2.99Å; F210-L214 HydrophobicContact CB-CD1 3.72Å; F210-L214 HydrophobicContact CB-CG 4.08Å; F210-L214 HydrophobicContact CD2-CD1 4.15Å; F210-L214 HydrophobicContact CG-CD1 4.38Å; F210-L214 WeakPolarHBondContact O-CB 3.18Å; F210-L214 PolarHBondContact O-N 3.32Å | ||
| 211 | P | 70.3 | Confident | 71.6 | Confident | 62 Ų | 62 | 88.3 Ų | 88.3 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | -177.3 | 22.6 | -32.2 | 0 | 0 | 0 | 112.7 | G215 L225 | P211-G215 VanDerWaalsContact O-CA 3.23Å; P211-G215 WeakPolarHBondContact O-CA 3.36Å; P211-G215 PolarHBondContact O-N 2.75Å; P211-L225 HydrophobicContact CB-CD2 3.77Å; P211-L225 WeakPolarHBondContact O-CD2 3.26Å |
| 212 | E | 64.1 | Low | 70.2 | Confident | 181 Ų | 181 | 90.6 Ų | 90.6 | 85% | 0.846 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.7 | -30.7 | -177.4 | -63.9 | -170.8 | 166.3 | 0 | 0 | 113.6 | F210 | F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.46Å |
| 213 | Q | 63 | Low | 68.7 | Low | 137 Ų | 137 | 95.1 Ų | 95.1 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -87.3 | -38.8 | -178.9 | -65.7 | -177 | 2.9 | 0 | 0 | 112.7 | F210 K228 | F210-Q213 HydrophobicContact CB-CB 4.29Å; F210-Q213 PolarHBondContact O-N 2.99Å; Q213-K228 VanDerWaalsContact O-CE 3.32Å; Q213-K228 WeakPolarHBondContact O-CE 3.46Å; Q213-K228 PolarHBondContact O-NZ 3.38Å |
| 214 | L | 64.4 | Low | 67.8 | Low | 36 Ų | 36 | 95 Ų | 95 | 19% | 0.188 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -99.9 | -23 | -173.3 | -62.1 | 165.7 | 0 | 0 | 0 | 113.1 | G206 F210 L227 K228 I231 | G206-L214 WeakPolarHBondContact O-CD1 3.44Å; F210-L214 HydrophobicContact CB-CD1 3.72Å; F210-L214 HydrophobicContact CB-CG 4.08Å; F210-L214 HydrophobicContact CD2-CD1 4.15Å; F210-L214 HydrophobicContact CG-CD1 4.38Å; F210-L214 WeakPolarHBondContact O-CB 3.18Å; F210-L214 PolarHBondContact O-N 3.32Å; L214-L227 WeakPolarHBondContact O-CA 3.46Å; L214-K228 PolarHBondContact O-N 3.11Å; L214-I231 HydrophobicContact CD2-CB 4.33Å; L214-I231 HydrophobicContact CD2-CD1 3.75Å; L214-I231 HydrophobicContact CD2-CG1 3.78Å; L214-I231 HydrophobicContact CD2-CG2 3.62Å |
| 215 | G | 62.3 | Low | 66.9 | Low | 9 Ų | 9 | 94.5 Ų | 94.5 | 9% | 0.093 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 152.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P211 V226 | P211-G215 VanDerWaalsContact O-CA 3.23Å; P211-G215 WeakPolarHBondContact O-CA 3.36Å; P211-G215 PolarHBondContact O-N 2.75Å; G215-V226 CarbonylContact C-O 3.54Å; G215-V226 WeakPolarHBondContact CA-O 3.31Å |
| 216 | R | 65.8 | Low | 66.5 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.7 | 158.2 | 59.5 | 172.9 | -177.7 | 150.9 | 5.1 | 107.6 | S218 V226 | R216-S218 PolarHBondContact O-N 3.06Å; R216-V226 HydrophobicContact CG-CB 4.49Å; R216-V226 VanDerWaalsContact CG-O 3.31Å; R216-V226 WeakPolarHBondContact CG-O 3.25Å; R216-V226 PolarHBondContact N-O 2.83Å; R216-V226 PolarHBondContact O-N 2.97Å; R216-V226 VanDerWaalsContact O-O 3.12Å |
| 217 | P | 65 | Low | 66.2 | Low | 88 Ų | 88 | 90.2 Ų | 90.2 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 138.7 | 169.9 | 24.1 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 218 | S | 59.8 | Low | 66.2 | Low | 30 Ų | 30 | 92 Ų | 92 | 21% | 0.21 | 48% | 0.483 | C | S | . | . | trans | -64.4 | 141.4 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 109.9 | R216 D220 N221 V224 | R216-S218 PolarHBondContact O-N 3.06Å; S218-D220 PolarHBondContact O-N 2.98Å; S218-N221 VanDerWaalsContact CB-O 3.25Å; S218-N221 WeakPolarHBondContact CB-O 3.26Å; S218-N221 CarbonylContact O-C 3.59Å; S218-N221 PolarHBondContact O-N 2.93Å; S218-V224 VanDerWaalsContact CB-O 3.27Å; S218-V224 WeakPolarHBondContact CB-O 3.21Å; S218-V224 PolarHBondContact N-O 2.94Å | ||
| 219 | S | 54.6 | Low | 66.3 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 85% | 0.853 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -64.4 | -24 | 176.6 | -160.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 220 | D | 57.8 | Low | 66.4 | Low | 140 Ų | 140 | 88 Ų | 88 | 75% | 0.749 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -96.1 | -23.8 | -177 | -64 | -27.8 | 0 | 0 | 0 | 113.1 | S218 | S218-D220 PolarHBondContact O-N 2.98Š|
| 221 | N | 55.6 | Low | 66.6 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | trans | -153.5 | 111.4 | 179.9 | -82.8 | -38.3 | 0 | 0 | 0 | 109.6 | S218 D223 V224 | S218-N221 VanDerWaalsContact CB-O 3.25Å; S218-N221 WeakPolarHBondContact CB-O 3.26Å; S218-N221 CarbonylContact O-C 3.59Å; S218-N221 PolarHBondContact O-N 2.93Å; N221-D223 PolarHBondContact O-N 3.35Å; N221-D223 VanDerWaalsContact O-N 3.15Å; N221-V224 HydrophobicContact CB-CB 4.43Å; N221-V224 HydrophobicContact CB-CG2 4Å; N221-V224 PolarHBondContact O-N 3.21Å; N221-V224 VanDerWaalsContact O-N 3.1Å | ||
| 222 | P | 59.6 | Low | 67.3 | Low | 98 Ų | 98 | 84 Ų | 84 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.3 | -175.4 | 22.9 | -30.8 | 0 | 0 | 0 | 113.5 | V224 | P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 3.29Å |
| 223 | D | 55.8 | Low | 68.3 | Low | 154 Ų | 154 | 81.8 Ų | 81.8 | 82% | 0.824 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10 | 179.1 | -54.5 | -37.1 | 0 | 0 | 0 | 113.9 | N221 | N221-D223 PolarHBondContact O-N 3.35Å; N221-D223 VanDerWaalsContact O-N 3.15Å |
| 224 | V | 65.9 | Low | 69.5 | Low | 72 Ų | 72 | 80.6 Ų | 80.6 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -102.7 | 110.9 | 180 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S218 N221 P222 V226 | S218-V224 VanDerWaalsContact CB-O 3.27Å; S218-V224 WeakPolarHBondContact CB-O 3.21Å; S218-V224 PolarHBondContact N-O 2.94Å; N221-V224 HydrophobicContact CB-CB 4.43Å; N221-V224 HydrophobicContact CB-CG2 4Å; N221-V224 PolarHBondContact O-N 3.21Å; N221-V224 VanDerWaalsContact O-N 3.1Å; P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 3.29Å; V224-V226 HydrophobicContact CG1-CG2 4.45Å; V224-V226 PolarHBondContact O-N 2.95Å |
| 225 | L | 63.7 | Low | 70.6 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.3 | 172.5 | -117.5 | 80.2 | 0 | 0 | 0 | 111 | L207 P211 | L207-L225 HydrophobicContact CD2-CB 4.05Å; L207-L225 HydrophobicContact CD2-CD2 3.94Å; L207-L225 HydrophobicContact CD2-CG 4.45Å; P211-L225 HydrophobicContact CB-CD2 3.77Å; P211-L225 WeakPolarHBondContact O-CD2 3.26Å |
| 226 | V | 74.8 | Confident | 71.9 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.2 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | G215 R216 V224 | G215-V226 CarbonylContact C-O 3.54Å; G215-V226 WeakPolarHBondContact CA-O 3.31Å; R216-V226 HydrophobicContact CG-CB 4.49Å; R216-V226 VanDerWaalsContact CG-O 3.31Å; R216-V226 WeakPolarHBondContact CG-O 3.25Å; R216-V226 PolarHBondContact N-O 2.83Å; R216-V226 PolarHBondContact O-N 2.97Å; R216-V226 VanDerWaalsContact O-O 3.12Å; V224-V226 HydrophobicContact CG1-CG2 4.45Å; V224-V226 PolarHBondContact O-N 2.95Å |
| 227 | L | 74.3 | Confident | 73 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.016 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 142.7 | 174.4 | -109 | 58.2 | 0 | 0 | 0 | 111 | K203 L207 L214 I231 N232 C235 | K203-L227 HydrophobicContact CG-CD1 4.25Å; L207-L227 HydrophobicContact CD1-CD1 4.12Å; L207-L227 HydrophobicContact CD2-CD1 3.48Å; L207-L227 VanDerWaalsContact CD2-CD1 3.48Å; L207-L227 HydrophobicContact CG-CD1 3.52Å; L214-L227 WeakPolarHBondContact O-CA 3.46Å; L227-I231 HydrophobicContact CD2-CB 4.22Å; L227-I231 HydrophobicContact CD2-CG2 3.51Å; L227-I231 HydrophobicContact CG-CB 4.16Å; L227-I231 HydrophobicContact CG-CG2 3.73Å; L227-N232 HydrophobicContact CB-CB 4.01Å; L227-C235 HydrophobicContact CD2-CB 4.34Å |
| 228 | K | 79 | Confident | 74.3 | Confident | 71 Ų | 71 | 77 Ų | 77 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | trans | -55.2 | 144.4 | 165.9 | -67.7 | 177.3 | -177.7 | 166.6 | 0 | 109.7 | Q213 L214 H230 I231 N232 | Q213-K228 VanDerWaalsContact O-CE 3.32Å; Q213-K228 WeakPolarHBondContact O-CE 3.46Å; Q213-K228 PolarHBondContact O-NZ 3.38Å; L214-K228 PolarHBondContact O-N 3.11Å; K228-H230 VanDerWaalsContact C-N 3.28Å; K228-H230 VanDerWaalsContact CB-CE1 3.48Å; K228-H230 WeakPolarHBondContact CB-CE1 3.35Å; K228-H230 PolarHBondContact O-N 3.3Å; K228-H230 VanDerWaalsContact O-N 3.17Å; K228-I231 HydrophobicContact CB-CG1 4.21Å; K228-I231 PolarHBondContact O-N 3.26Å; K228-N232 PolarHBondContact O-N 2.85Å | ||
| 229 | T | 80.8 | Confident | 75.9 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54.9 | -40.6 | -171.1 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | N232 L233 | T229-N232 PolarHBondContact O-N 3.37Å; T229-L233 WeakPolarHBondContact O-CB 3.43Å; T229-L233 PolarHBondContact O-N 3.37Å |
| 230 | H | 80.5 | Confident | 77.6 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178.2 | 55.1 | -89.1 | 0 | 0 | 0 | 112.4 | K228 L233 L234 | K228-H230 VanDerWaalsContact C-N 3.28Å; K228-H230 VanDerWaalsContact CB-CE1 3.48Å; K228-H230 WeakPolarHBondContact CB-CE1 3.35Å; K228-H230 PolarHBondContact O-N 3.3Å; K228-H230 VanDerWaalsContact O-N 3.17Å; H230-L233 PolarHBondContact O-N 2.85Å; H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 3.48Å |
| 231 | I | 82.3 | Confident | 79.3 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 175.5 | -53.9 | -59.5 | 0 | 0 | 0 | 110.3 | L214 L227 K228 L233 L234 C235 | L214-I231 HydrophobicContact CD2-CB 4.33Å; L214-I231 HydrophobicContact CD2-CD1 3.75Å; L214-I231 HydrophobicContact CD2-CG1 3.78Å; L214-I231 HydrophobicContact CD2-CG2 3.62Å; L227-I231 HydrophobicContact CD2-CB 4.22Å; L227-I231 HydrophobicContact CD2-CG2 3.51Å; L227-I231 HydrophobicContact CG-CB 4.16Å; L227-I231 HydrophobicContact CG-CG2 3.73Å; K228-I231 HydrophobicContact CB-CG1 4.21Å; K228-I231 PolarHBondContact O-N 3.26Å; I231-L233 VanDerWaalsContact C-N 3.26Å; I231-L233 PolarHBondContact O-N 3.22Å; I231-L234 PolarHBondContact O-N 3.39Å; I231-L234 VanDerWaalsContact O-N 3.12Å; I231-C235 WeakPolarHBondContact O-CB 3.48Å; I231-C235 PolarHBondContact O-N 2.8Å; I231-C235 PolarHBondContact O-SG 2.84Å; I231-C235 VanDerWaalsContact O-SG 3.33Å |
| 232 | N | 84 | Confident | 81.2 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 177 | -166.5 | 61.4 | 0 | 0 | 0 | 111.6 | F199 L227 K228 T229 G236 | F199-N232 WeakPolarHBondContact CE2-OD1 3.2Å; F199-N232 WeakPolarHBondContact CZ-OD1 3.31Å; L227-N232 HydrophobicContact CB-CB 4.01Å; K228-N232 PolarHBondContact O-N 2.85Å; T229-N232 PolarHBondContact O-N 3.37Å; N232-G236 PolarHBondContact O-N 3.48Å |
| 233 | L | 86.1 | Confident | 82.8 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 71% | 0.707 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | 174.8 | -173.4 | 69.1 | 0 | 0 | 0 | 111.9 | T229 H230 I231 G236 G237 | T229-L233 WeakPolarHBondContact O-CB 3.43Å; T229-L233 PolarHBondContact O-N 3.37Å; H230-L233 PolarHBondContact O-N 2.85Å; I231-L233 VanDerWaalsContact C-N 3.26Å; I231-L233 PolarHBondContact O-N 3.22Å; L233-G236 PolarHBondContact O-N 3.15Å; L233-G237 PolarHBondContact O-N 3.22Å |
| 234 | L | 88.1 | Confident | 84.6 | Confident | 112 Ų | 112 | 54.5 Ų | 54.5 | 59% | 0.586 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -47.2 | 176.6 | -71.9 | 172.6 | 0 | 0 | 0 | 111.8 | H230 I231 G236 G237 V238 | H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 3.48Å; I231-L234 PolarHBondContact O-N 3.39Å; I231-L234 VanDerWaalsContact O-N 3.12Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.31Å; L234-G237 PolarHBondContact O-N 3.22Å; L234-G237 VanDerWaalsContact O-N 3.16Å; L234-V238 WeakPolarHBondContact O-CG2 3.3Å; L234-V238 PolarHBondContact O-N 2.9Å |
| 235 | C | 86.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 175.7 | -68 | 0 | 0 | 0 | 0 | 111.4 | F199 L202 L227 I231 A239 | F199-C235 HydrophobicContact CD2-CB 4.14Å; F199-C235 HydrophobicContact CE2-CB 4.22Å; L202-C235 HydrophobicContact CB-CB 4.29Å; L202-C235 HydrophobicContact CD1-CB 4.33Å; L227-C235 HydrophobicContact CD2-CB 4.34Å; I231-C235 WeakPolarHBondContact O-CB 3.48Å; I231-C235 PolarHBondContact O-N 2.8Å; I231-C235 PolarHBondContact O-SG 2.84Å; I231-C235 VanDerWaalsContact O-SG 3.33Å; C235-A239 WeakPolarHBondContact O-CB 3.32Å; C235-A239 PolarHBondContact O-N 2.9Å |
| 236 | G | 88.6 | Confident | 87.4 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N232 L233 L234 G240 | N232-G236 PolarHBondContact O-N 3.48Å; L233-G236 PolarHBondContact O-N 3.15Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.31Å; G236-G240 PolarHBondContact O-N 3.02Å |
| 237 | G | 90.6 | Very high | 88.3 | Confident | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L233 L234 G240 A241 | L233-G237 PolarHBondContact O-N 3.22Å; L234-G237 PolarHBondContact O-N 3.22Å; L234-G237 VanDerWaalsContact O-N 3.16Å; G237-G240 PolarHBondContact O-N 3.24Å; G237-A241 WeakPolarHBondContact O-CB 3.35Å; G237-A241 PolarHBondContact O-N 3.3Å |
| 238 | V | 92 | Very high | 89.2 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L202 L234 G240 A241 F242 | L202-V238 HydrophobicContact CD1-CB 4.16Å; L202-V238 HydrophobicContact CD1-CG1 3.98Å; L234-V238 WeakPolarHBondContact O-CG2 3.3Å; L234-V238 PolarHBondContact O-N 2.9Å; V238-G240 VanDerWaalsContact C-N 3.35Å; V238-G240 PolarHBondContact O-N 2.64Å; V238-A241 PolarHBondContact O-N 3.44Å; V238-F242 WeakPolarHBondContact O-CB 3.45Å; V238-F242 PolarHBondContact O-N 2.86Å |
| 239 | A | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S195 T198 F199 C235 F242 A243 | S195-A239 WeakPolarHBondContact O-CB 3.26Å; T198-A239 HydrophobicContact CG2-CB 3.89Å; F199-A239 HydrophobicContact CB-CB 3.85Å; C235-A239 WeakPolarHBondContact O-CB 3.32Å; C235-A239 PolarHBondContact O-N 2.9Å; A239-F242 PolarHBondContact O-N 2.93Å; A239-A243 VanDerWaalsContact O-CB 3.31Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 3.08Å |
| 240 | G | 91.4 | Very high | 90.6 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G236 G237 V238 Q244 | G236-G240 PolarHBondContact O-N 3.02Å; G237-G240 PolarHBondContact O-N 3.24Å; V238-G240 VanDerWaalsContact C-N 3.35Å; V238-G240 PolarHBondContact O-N 2.64Å; G240-Q244 WeakPolarHBondContact O-CB 3.29Å; G240-Q244 PolarHBondContact O-N 2.98Å |
| 241 | A | 93.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 43 Ų | 43 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G237 V238 Q244 T245 Y297 | G237-A241 WeakPolarHBondContact O-CB 3.35Å; G237-A241 PolarHBondContact O-N 3.3Å; V238-A241 PolarHBondContact O-N 3.44Å; A241-Q244 PolarHBondContact O-N 3.32Å; A241-T245 PolarHBondContact O-N 3.28Å; A241-T245 PolarHBondContact O-OG1 3.39Å; A241-Y297 HydrophobicContact CB-CD1 4.11Å; A241-Y297 HydrophobicContact CB-CE1 3.85Å; A241-Y297 PolarHBondContact O-OH 2.88Å |
| 242 | F | 94.8 | Very high | 91.7 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 175.7 | -179.7 | -102.1 | 0 | 0 | 0 | 111.5 | L194 T198 V238 A239 Q244 T245 V246 | L194-F242 HydrophobicContact CD2-CE1 4.43Å; T198-F242 HydrophobicContact CG2-CD1 4.45Å; T198-F242 VanDerWaalsContact OG1-CD1 3.24Å; T198-F242 WeakPolarHBondContact OG1-CD1 3.18Å; V238-F242 WeakPolarHBondContact O-CB 3.45Å; V238-F242 PolarHBondContact O-N 2.86Å; A239-F242 PolarHBondContact O-N 2.93Å; F242-Q244 VanDerWaalsContact C-N 3.27Å; F242-Q244 PolarHBondContact O-N 2.9Å; F242-T245 VanDerWaalsContact O-CB 3.32Å; F242-T245 WeakPolarHBondContact O-CB 3.45Å; F242-T245 PolarHBondContact O-N 3.01Å; F242-V246 HydrophobicContact CE1-CG2 4.31Å; F242-V246 HydrophobicContact CE2-CG2 4.47Å; F242-V246 HydrophobicContact CZ-CG2 4.19Å; F242-V246 PolarHBondContact O-N 3.15Å; F242-V246 VanDerWaalsContact O-N 3.12Å |
| 243 | A | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y191 L194 A239 S247 | Y191-A243 HydrophobicContact CD2-CB 3.88Å; Y191-A243 HydrophobicContact CE2-CB 4.09Å; Y191-A243 WeakPolarHBondContact O-CB 3.34Å; L194-A243 HydrophobicContact CB-CB 3.92Å; A239-A243 VanDerWaalsContact O-CB 3.31Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 3.08Å; A243-S247 VanDerWaalsContact O-CB 3.32Å; A243-S247 WeakPolarHBondContact O-CB 3.4Å; A243-S247 PolarHBondContact O-N 3.27Å; A243-S247 PolarHBondContact O-OG 3.25Å |
| 244 | Q | 93.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 175.6 | -176.3 | 62.5 | 74.8 | 0 | 0 | 111.9 | Y191 G240 A241 F242 Y248 D251 L293 N296 Y297 | Y191-Q244 HydrophobicContact CD2-CB 4.5Å; Y191-Q244 HydrophobicContact CE2-CB 4.05Å; G240-Q244 WeakPolarHBondContact O-CB 3.29Å; G240-Q244 PolarHBondContact O-N 2.98Å; A241-Q244 PolarHBondContact O-N 3.32Å; F242-Q244 VanDerWaalsContact C-N 3.27Å; F242-Q244 PolarHBondContact O-N 2.9Å; Q244-Y248 WeakPolarHBondContact O-CA 3.36Å; Q244-Y248 VanDerWaalsContact O-CB 3.25Å; Q244-Y248 WeakPolarHBondContact O-CB 3.31Å; Q244-Y248 PolarHBondContact O-N 2.9Å; Q244-D251 PolarHBondContact NE2-OD2 3.27Å; Q244-L293 HydrophobicContact CG-CD1 4.34Å; Q244-N296 HydrophobicContact CG-CB 4.1Å; Q244-N296 PolarHBondContact NE2-ND2 2.98Å; Q244-N296 VanDerWaalsContact NE2-ND2 3.15Å; Q244-N296 PolarHBondContact OE1-ND2 3.48Å; Q244-Y297 HydrophobicContact CB-CE1 4.44Å; Q244-Y297 HydrophobicContact CG-CE1 4.42Å |
| 245 | T | 94.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 27% | 0.27 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.8 | -52.6 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 110 | A241 F242 S247 Y248 Y290 L293 Y297 | A241-T245 PolarHBondContact O-N 3.28Å; A241-T245 PolarHBondContact O-OG1 3.39Å; F242-T245 VanDerWaalsContact O-CB 3.32Å; F242-T245 WeakPolarHBondContact O-CB 3.45Å; F242-T245 PolarHBondContact O-N 3.01Å; T245-S247 VanDerWaalsContact C-N 3.34Å; T245-S247 PolarHBondContact O-N 3.14Å; T245-Y248 WeakPolarHBondContact O-CB 3.36Å; T245-Y248 PolarHBondContact O-N 3.22Å; T245-Y290 HydrophobicContact CG2-CE1 4.13Å; T245-Y290 WeakPolarHBondContact O-CE1 3.48Å; T245-L293 HydrophobicContact CG2-CD2 4.34Å; T245-Y297 PolarHBondContact OG1-OH 3.43Å |
| 246 | V | 94 | Very high | 93.1 | Very high | 71 Ų | 71 | 29 Ų | 29 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.8 | -38.6 | -176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | L194 F242 Y248 P249 | L194-V246 HydrophobicContact CD1-CB 3.6Å; L194-V246 HydrophobicContact CD1-CG1 3.46Å; L194-V246 VanDerWaalsContact CD1-CG1 3.46Å; L194-V246 HydrophobicContact CD1-CG2 4.05Å; F242-V246 HydrophobicContact CE1-CG2 4.31Å; F242-V246 HydrophobicContact CE2-CG2 4.47Å; F242-V246 HydrophobicContact CZ-CG2 4.19Å; F242-V246 PolarHBondContact O-N 3.15Å; F242-V246 VanDerWaalsContact O-N 3.12Å; V246-Y248 VanDerWaalsContact C-N 3.32Å; V246-Y248 PolarHBondContact O-N 3.15Å; V246-P249 WeakPolarHBondContact O-CD 3.43Å |
| 247 | S | 93.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84 | -5.3 | -178.6 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | Y191 A243 T245 P249 L250 D251 | Y191-S247 WeakPolarHBondContact CA-OG 3.44Å; Y191-S247 PolarHBondContact N-OG 3.23Å; A243-S247 VanDerWaalsContact O-CB 3.32Å; A243-S247 WeakPolarHBondContact O-CB 3.4Å; A243-S247 PolarHBondContact O-N 3.27Å; A243-S247 PolarHBondContact O-OG 3.25Å; T245-S247 VanDerWaalsContact C-N 3.34Å; T245-S247 PolarHBondContact O-N 3.14Å; S247-P249 VanDerWaalsContact C-CD 3.49Å; S247-L250 PolarHBondContact O-N 3.47Å; S247-D251 PolarHBondContact O-N 3.1Å |
| 248 | Y | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | -172.5 | -159.7 | -102.5 | 0 | 0 | 0 | 115.3 | Q55 Q244 T245 V246 L250 D251 V252 L289 Y290 R291 G292 L293 N296 | Q55-Y248 PolarHBondContact NE2-OH 2.86Å; Q244-Y248 WeakPolarHBondContact O-CA 3.36Å; Q244-Y248 VanDerWaalsContact O-CB 3.25Å; Q244-Y248 WeakPolarHBondContact O-CB 3.31Å; Q244-Y248 PolarHBondContact O-N 2.9Å; T245-Y248 WeakPolarHBondContact O-CB 3.36Å; T245-Y248 PolarHBondContact O-N 3.22Å; V246-Y248 VanDerWaalsContact C-N 3.32Å; V246-Y248 PolarHBondContact O-N 3.15Å; Y248-L250 PolarHBondContact O-N 2.97Å; Y248-D251 HydrophobicContact CD2-CB 4.29Å; Y248-D251 WeakPolarHBondContact O-CA 3.32Å; Y248-D251 WeakPolarHBondContact O-CB 3.4Å; Y248-D251 PolarHBondContact O-N 3.18Å; Y248-V252 HydrophobicContact CD1-CG2 3.93Å; Y248-V252 HydrophobicContact CE1-CG2 3.57Å; Y248-V252 PolarHBondContact O-N 2.8Å; Y248-L289 WeakPolarHBondContact CD1-O 3.35Å; Y248-Y290 HydrophobicContact CD1-CD1 4.06Å; Y248-R291 WeakPolarHBondContact CE1-O 3.47Å; Y248-R291 PolarHBondContact OH-O 3.44Å; Y248-G292 WeakPolarHBondContact OH-CA 3.46Å; Y248-G292 PolarHBondContact OH-O 2.98Å; Y248-L293 HydrophobicContact CD1-CB 4.27Å; Y248-L293 HydrophobicContact CD1-CD1 4.31Å; Y248-L293 HydrophobicContact CD2-CB 4.38Å; Y248-L293 HydrophobicContact CD2-CD1 3.36Å; Y248-L293 HydrophobicContact CD2-CG 4.47Å; Y248-L293 HydrophobicContact CE1-CB 4.02Å; Y248-L293 HydrophobicContact CE2-CB 4.12Å; Y248-L293 HydrophobicContact CE2-CD1 3.77Å; Y248-L293 HydrophobicContact CG-CB 4.45Å; Y248-L293 HydrophobicContact CG-CD1 3.67Å; Y248-L293 VanDerWaalsContact CZ-CA 3.5Å; Y248-L293 PolarHBondContact OH-N 3.16Å; Y248-L293 VanDerWaalsContact OH-N 3.08Å; Y248-N296 VanDerWaalsContact CE2-ND2 3.29Å; Y248-N296 WeakPolarHBondContact CE2-ND2 3.24Å |
| 249 | P | 94.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 21.9 Ų | 21.9 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.9 | -35.6 | 176.1 | -28.4 | 37.7 | 0 | 0 | 0 | 113.5 | V246 S247 V252 A253 L276 L289 Y290 | V246-P249 WeakPolarHBondContact O-CD 3.43Å; S247-P249 VanDerWaalsContact C-CD 3.49Å; P249-V252 PolarHBondContact O-N 2.98Å; P249-A253 PolarHBondContact O-N 3.25Å; P249-L276 HydrophobicContact CB-CD2 3.81Å; P249-L289 HydrophobicContact CB-CD2 4.43Å; P249-Y290 HydrophobicContact CG-CE2 4.44Å |
| 250 | L | 93.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 22 Ų | 22 | 20% | 0.199 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.5 | -33.9 | 175.2 | -66.4 | 174.5 | 0 | 0 | 0 | 111.7 | V186 S247 Y248 A253 R254 L276 | V186-L250 HydrophobicContact CG1-CD1 4.15Å; S247-L250 PolarHBondContact O-N 3.47Å; Y248-L250 PolarHBondContact O-N 2.97Å; L250-A253 PolarHBondContact O-N 2.99Å; L250-R254 WeakPolarHBondContact O-CB 3.25Å; L250-R254 PolarHBondContact O-N 3.45Å; L250-L276 HydrophobicContact CD2-CD1 4.45Å |
| 251 | D | 92.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 19% | 0.193 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 172.3 | -110.2 | 25.9 | 0 | 0 | 0 | 111.6 | K51 Q244 S247 Y248 R255 | K51-D251 IonicContact NZ-OD2 2.89Å; K51-D251 PolarHBondContact NZ-OD2 3.4Å; Q244-D251 PolarHBondContact NE2-OD2 3.27Å; S247-D251 PolarHBondContact O-N 3.1Å; Y248-D251 HydrophobicContact CD2-CB 4.29Å; Y248-D251 WeakPolarHBondContact O-CA 3.32Å; Y248-D251 WeakPolarHBondContact O-CB 3.4Å; Y248-D251 PolarHBondContact O-N 3.18Å; D251-R255 PolarHBondContact O-N 3.45Å |
| 252 | V | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111 | Q55 Y248 P249 R255 R256 V279 L289 | Q55-V252 HydrophobicContact CG-CG2 4.27Å; Y248-V252 HydrophobicContact CD1-CG2 3.93Å; Y248-V252 HydrophobicContact CE1-CG2 3.57Å; Y248-V252 PolarHBondContact O-N 2.8Å; P249-V252 PolarHBondContact O-N 2.98Å; V252-R255 PolarHBondContact O-N 3Å; V252-R256 PolarHBondContact O-N 2.97Å; V252-V279 HydrophobicContact CG1-CG1 4.36Å; V252-L289 WeakPolarHBondContact CG2-O 3.36Å |
| 253 | A | 93.9 | Very high | 92 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P183 P249 L250 R255 R256 M257 T275 L276 | P183-A253 HydrophobicContact CB-CB 4.38Å; P249-A253 PolarHBondContact O-N 3.25Å; L250-A253 PolarHBondContact O-N 2.99Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 2.92Å; A253-R256 PolarHBondContact O-N 3.36Å; A253-M257 WeakPolarHBondContact O-CB 3.15Å; A253-M257 WeakPolarHBondContact O-CG 3.46Å; A253-M257 PolarHBondContact O-N 2.99Å; A253-T275 HydrophobicContact CB-CG2 4.36Å; A253-L276 HydrophobicContact CB-CD1 3.29Å; A253-L276 HydrophobicContact CB-CG 4.39Å |
| 254 | R | 94.2 | Very high | 91.2 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 12% | 0.121 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -50 | -53.1 | 173.2 | 174.7 | -171.2 | -179.3 | 152.7 | 10.5 | 110.7 | D142 P183 T184 L250 R256 M257 Q258 | D142-R254 IonicContact OD2-NH2 2.69Å; D142-R254 PolarHBondContact OD2-NH2 2.93Å; P183-R254 HydrophobicContact CB-CB 4.23Å; P183-R254 HydrophobicContact CG-CB 4.02Å; T184-R254 VanDerWaalsContact CG2-CZ 3.47Å; T184-R254 WeakPolarHBondContact OG1-CD 3.3Å; T184-R254 WeakPolarHBondContact OG1-CG 3.46Å; T184-R254 PolarHBondContact OG1-NE 2.87Å; T184-R254 PolarHBondContact OG1-NH1 2.93Å; L250-R254 WeakPolarHBondContact O-CB 3.25Å; L250-R254 PolarHBondContact O-N 3.45Å; R254-R256 PolarHBondContact O-N 2.95Å; R254-M257 PolarHBondContact O-N 3.38Å; R254-Q258 HydrophobicContact CG-CG 4.29Å; R254-Q258 WeakPolarHBondContact O-CB 3.33Å; R254-Q258 VanDerWaalsContact O-CG 3.26Å; R254-Q258 WeakPolarHBondContact O-CG 3.21Å; R254-Q258 PolarHBondContact O-N 3.43Å |
| 255 | R | 93.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | -176.9 | -71.1 | -35.3 | -176.2 | 162.3 | 0.2 | 112.9 | Q55 D251 V252 A253 M257 Q258 L259 | Q55-R255 HydrophobicContact CB-CB 4.2Å; Q55-R255 HydrophobicContact CB-CG 4.46Å; D251-R255 PolarHBondContact O-N 3.45Å; V252-R255 PolarHBondContact O-N 3Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 2.92Å; R255-M257 VanDerWaalsContact C-N 3.33Å; R255-M257 PolarHBondContact O-N 3.16Å; R255-Q258 VanDerWaalsContact CD-OE1 3.23Å; R255-Q258 PolarHBondContact O-N 3Å; R255-L259 WeakPolarHBondContact O-CG 3.45Å; R255-L259 PolarHBondContact O-N 3.27Å; R255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | R | 93.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 178.2 | -67.8 | -174.8 | 69.5 | 84 | 0.5 | 111.9 | V252 A253 R254 L259 L263 T275 | V252-R256 PolarHBondContact O-N 2.97Å; A253-R256 PolarHBondContact O-N 3.36Å; R254-R256 PolarHBondContact O-N 2.95Å; R256-L259 PolarHBondContact O-N 2.99Å; R256-L263 HydrophobicContact CB-CD1 4.05Å; R256-L263 HydrophobicContact CG-CD1 4.43Å; R256-L263 VanDerWaalsContact O-CD1 3.27Å; R256-L263 WeakPolarHBondContact O-CD1 3.14Å; R256-T275 HydrophobicContact CB-CG2 3.94Å |
| 257 | M | 93.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 25.4 Ų | 25.4 | 5% | 0.054 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.2 | -66.2 | -179.4 | 73.5 | 0 | 0 | 112.1 | R179 P183 A253 R254 R255 L259 G260 C269 G270 P272 T275 | R179-M257 WeakPolarHBondContact CB-O 3.48Å; P183-M257 HydrophobicContact CG-SD 3.7Å; A253-M257 WeakPolarHBondContact O-CB 3.15Å; A253-M257 WeakPolarHBondContact O-CG 3.46Å; A253-M257 PolarHBondContact O-N 2.99Å; R254-M257 PolarHBondContact O-N 3.38Å; R255-M257 VanDerWaalsContact C-N 3.33Å; R255-M257 PolarHBondContact O-N 3.16Å; M257-L259 VanDerWaalsContact C-N 3.28Å; M257-L259 PolarHBondContact O-N 3.01Å; M257-G260 PolarHBondContact O-N 3.03Å; M257-G260 VanDerWaalsContact O-N 3.15Å; M257-C269 HydrophobicContact CG-CB 4.46Å; M257-C269 WeakPolarHBondContact CG-O 3.49Å; M257-G270 WeakPolarHBondContact CE-O 3.33Å; M257-P272 HydrophobicContact SD-CB 4.34Å; M257-T275 HydrophobicContact CG-CG2 4.47Å |
| 258 | Q | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | 177.8 | -76.3 | -178.7 | -25.3 | 0 | 0 | 113.1 | Y139 V143 A146 R147 R179 R254 R255 G260 | Y139-Q258 VanDerWaalsContact OH-CG 3.23Å; Y139-Q258 WeakPolarHBondContact OH-CG 3.4Å; Y139-Q258 PolarHBondContact OH-NE2 3.46Å; V143-Q258 HydrophobicContact CG2-CG 4.23Å; A146-Q258 HydrophobicContact CB-CB 3.99Å; R147-Q258 PolarHBondContact NE-O 2.91Å; R179-Q258 WeakPolarHBondContact O-CG 3.18Å; R254-Q258 HydrophobicContact CG-CG 4.29Å; R254-Q258 WeakPolarHBondContact O-CB 3.33Å; R254-Q258 VanDerWaalsContact O-CG 3.26Å; R254-Q258 WeakPolarHBondContact O-CG 3.21Å; R254-Q258 PolarHBondContact O-N 3.43Å; R255-Q258 VanDerWaalsContact CD-OE1 3.23Å; R255-Q258 PolarHBondContact O-N 3Å; Q258-G260 VanDerWaalsContact C-N 3.25Å; Q258-G260 PolarHBondContact O-N 3.43Å |
| 259 | L | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -27.5 | 178.3 | -66.3 | 175.5 | 0 | 0 | 0 | 112.1 | I52 A146 F150 R255 R256 M257 T261 A262 L263 | I52-L259 HydrophobicContact CG2-CD2 4.41Å; A146-L259 HydrophobicContact CB-CD2 4.28Å; A146-L259 WeakPolarHBondContact O-CD2 3.45Å; F150-L259 HydrophobicContact CB-CD2 3.4Å; F150-L259 HydrophobicContact CD1-CD2 4.24Å; F150-L259 HydrophobicContact CD2-CD1 3.58Å; F150-L259 HydrophobicContact CD2-CD2 4.06Å; F150-L259 HydrophobicContact CD2-CG 4.47Å; F150-L259 HydrophobicContact CE2-CD1 3.8Å; F150-L259 HydrophobicContact CG-CD1 3.97Å; F150-L259 HydrophobicContact CG-CD2 3.65Å; F150-L259 HydrophobicContact CG-CG 4.42Å; F150-L259 HydrophobicContact CZ-CD1 4.35Å; R255-L259 WeakPolarHBondContact O-CG 3.45Å; R255-L259 PolarHBondContact O-N 3.27Å; R255-L259 VanDerWaalsContact O-N 3.11Å; R256-L259 PolarHBondContact O-N 2.99Å; M257-L259 VanDerWaalsContact C-N 3.28Å; M257-L259 PolarHBondContact O-N 3.01Å; L259-T261 PolarHBondContact O-N 3.36Å; L259-A262 HydrophobicContact CB-CB 4.43Å; L259-A262 WeakPolarHBondContact O-CB 3.31Å; L259-A262 PolarHBondContact O-N 3.38Å; L259-L263 HydrophobicContact CB-CD1 3.83Å; L259-L263 HydrophobicContact CB-CD2 4.44Å; L259-L263 HydrophobicContact CB-CG 3.68Å; L259-L263 HydrophobicContact CD1-CD1 4.17Å; L259-L263 HydrophobicContact CD1-CD2 3.92Å; L259-L263 HydrophobicContact CD1-CG 4.05Å |
| 260 | G | 87.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | 49.9 | -129.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | M257 Q258 A262 L263 S266 | M257-G260 PolarHBondContact O-N 3.03Å; M257-G260 VanDerWaalsContact O-N 3.15Å; Q258-G260 VanDerWaalsContact C-N 3.25Å; Q258-G260 PolarHBondContact O-N 3.43Å; G260-A262 PolarHBondContact O-N 3.45Å; G260-L263 PolarHBondContact O-N 2.94Å; G260-S266 VanDerWaalsContact O-CB 3.27Å; G260-S266 WeakPolarHBondContact O-CB 3.32Å |
| 261 | T | 84.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 32.2 Ų | 32.2 | 31% | 0.307 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -62.6 | -9.2 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | R147 E172 L259 L263 | R147-T261 PolarHBondContact NH1-OG1 3.15Å; E172-T261 HydrophobicContact CG-CG2 3.82Å; E172-T261 WeakPolarHBondContact OE1-CB 3.33Å; E172-T261 WeakPolarHBondContact OE1-CG2 3.35Å; E172-T261 PolarHBondContact OE1-N 2.7Å; E172-T261 PolarHBondContact OE1-OG1 2.98Å; L259-T261 PolarHBondContact O-N 3.36Å; T261-L263 PolarHBondContact O-N 3.06Å |
| 262 | A | 83.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -69.1 | -22.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F150 R157 L259 G260 | F150-A262 HydrophobicContact CD1-CB 4.11Å; F150-A262 HydrophobicContact CE1-CB 4.48Å; R157-A262 PolarHBondContact NH1-O 3.4Å; L259-A262 HydrophobicContact CB-CB 4.43Å; L259-A262 WeakPolarHBondContact O-CB 3.31Å; L259-A262 PolarHBondContact O-N 3.38Å; G260-A262 PolarHBondContact O-N 3.45Å |
| 263 | L | 84.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -89 | 138.3 | 171 | -68 | 172.7 | 0 | 0 | 0 | 110.7 | G56 F150 R256 L259 G260 T261 D265 S266 | G56-L263 WeakPolarHBondContact O-CD2 2.99Å; F150-L263 HydrophobicContact CE1-CD2 4.28Å; F150-L263 HydrophobicContact CE2-CD2 4.25Å; F150-L263 HydrophobicContact CZ-CD2 3.72Å; R256-L263 HydrophobicContact CB-CD1 4.05Å; R256-L263 HydrophobicContact CG-CD1 4.43Å; R256-L263 VanDerWaalsContact O-CD1 3.27Å; R256-L263 WeakPolarHBondContact O-CD1 3.14Å; L259-L263 HydrophobicContact CB-CD1 3.83Å; L259-L263 HydrophobicContact CB-CD2 4.44Å; L259-L263 HydrophobicContact CB-CG 3.68Å; L259-L263 HydrophobicContact CD1-CD1 4.17Å; L259-L263 HydrophobicContact CD1-CD2 3.92Å; L259-L263 HydrophobicContact CD1-CG 4.05Å; G260-L263 PolarHBondContact O-N 2.94Å; T261-L263 PolarHBondContact O-N 3.06Å; L263-D265 PolarHBondContact O-N 3.28Å; L263-S266 PolarHBondContact O-N 3.14Å |
| 264 | P | 76.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 45.2 Ų | 45.2 | 66% | 0.662 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -26.6 | 172.3 | 26.2 | -33 | 0 | 0 | 0 | 112.4 | ||
| 265 | D | 82.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 35.7 | 178.3 | -63.2 | -74.6 | 0 | 0 | 0 | 113 | L263 D267 K268 Y278 | L263-D265 PolarHBondContact O-N 3.28Å; D265-D267 PolarHBondContact O-N 3.29Å; D265-K268 HydrophobicContact CB-CD 4.35Å; D265-K268 PolarHBondContact O-N 3.31Å; D265-K268 IonicContact OD1-NZ 3.32Å; D265-K268 PolarHBondContact OD1-NZ 2.97Å; D265-Y278 HydrophobicContact CB-CE1 4.25Å; D265-Y278 VanDerWaalsContact CG-OH 3.27Å; D265-Y278 PolarHBondContact OD1-OH 2.73Å; D265-Y278 PolarHBondContact OD2-OH 3.34Å |
| 266 | S | 81.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -57.3 | -35.4 | -176.1 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | G260 L263 K268 C269 | G260-S266 VanDerWaalsContact O-CB 3.27Å; G260-S266 WeakPolarHBondContact O-CB 3.32Å; L263-S266 PolarHBondContact O-N 3.14Å; S266-K268 PolarHBondContact O-N 3.05Å; S266-C269 PolarHBondContact O-N 3.15Å |
| 267 | D | 80.6 | Confident | 86.8 | Confident | 135 Ų | 135 | 51.2 Ų | 51.2 | 72% | 0.722 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -70.6 | -21.4 | -172.6 | -50.7 | -28.2 | 0 | 0 | 0 | 112.6 | D265 C269 | D265-D267 PolarHBondContact O-N 3.29Å; D267-C269 VanDerWaalsContact C-N 3.32Å |
| 268 | K | 81.5 | Confident | 86.8 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -82.9 | -13.8 | 176 | -58.1 | 176.6 | -168.1 | 153.7 | 0 | 111.6 | D265 S266 Y278 | D265-K268 HydrophobicContact CB-CD 4.35Å; D265-K268 PolarHBondContact O-N 3.31Å; D265-K268 IonicContact OD1-NZ 3.32Å; D265-K268 PolarHBondContact OD1-NZ 2.97Å; S266-K268 PolarHBondContact O-N 3.05Å; K268-Y278 HydrophobicContact CB-CD1 4.25Å; K268-Y278 HydrophobicContact CB-CD2 4.36Å; K268-Y278 HydrophobicContact CB-CG 4.15Å; K268-Y278 HydrophobicContact CD-CD2 3.64Å; K268-Y278 HydrophobicContact CD-CE1 4.24Å; K268-Y278 HydrophobicContact CD-CE2 3.33Å; K268-Y278 HydrophobicContact CD-CG 4.24Å |
| 269 | C | 81.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | trans | -101.9 | 32.6 | -174 | -57.8 | 0 | 0 | 0 | 0 | 114 | M257 S266 D267 T275 | M257-C269 HydrophobicContact CG-CB 4.46Å; M257-C269 WeakPolarHBondContact CG-O 3.49Å; S266-C269 PolarHBondContact O-N 3.15Å; D267-C269 VanDerWaalsContact C-N 3.32Å; C269-T275 WeakPolarHBondContact CA-OG1 3.23Å; C269-T275 HydrophobicContact CB-CG2 4.37Å | ||
| 270 | G | 78.3 | Confident | 86.8 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -78.5 | -30.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M257 | M257-G270 WeakPolarHBondContact CE-O 3.33Š|
| 271 | S | 88.6 | Confident | 87.1 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -130.6 | 146.9 | -179.2 | 165 | 0 | 0 | 0 | 0 | 109.9 | F273 K274 T275 | S271-F273 VanDerWaalsContact C-N 3.35Å; S271-F273 PolarHBondContact O-N 3.34Å; S271-K274 PolarHBondContact O-N 3.18Å; S271-T275 WeakPolarHBondContact O-CB 3.13Å; S271-T275 PolarHBondContact O-N 2.74Å; S271-T275 PolarHBondContact O-OG1 3.29Å |
| 272 | P | 89.9 | Confident | 87.4 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.7 | -47.3 | 179.2 | 21.3 | -33 | 0 | 0 | 0 | 112 | T182 P183 M257 K274 T275 L276 | T182-P272 HydrophobicContact CG2-CG 4.27Å; P183-P272 HydrophobicContact CB-CB 4.08Å; P183-P272 HydrophobicContact CG-CB 4.32Å; M257-P272 HydrophobicContact SD-CB 4.34Å; P272-K274 PolarHBondContact O-N 3.36Å; P272-T275 WeakPolarHBondContact O-CB 3.43Å; P272-T275 PolarHBondContact O-N 3.06Å; P272-L276 WeakPolarHBondContact O-CD1 3.32Å; P272-L276 PolarHBondContact O-N 3.2Å |
| 273 | F | 91.5 | Very high | 87.7 | Confident | 175 Ų | 175 | 67.6 Ų | 67.6 | 77% | 0.768 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 179.9 | -68.6 | -78.5 | 0 | 0 | 0 | 112.8 | S271 T275 L276 K277 | S271-F273 VanDerWaalsContact C-N 3.35Å; S271-F273 PolarHBondContact O-N 3.34Å; F273-T275 VanDerWaalsContact C-N 3.3Å; F273-T275 PolarHBondContact O-N 2.69Å; F273-L276 PolarHBondContact O-N 3.49Å; F273-K277 WeakPolarHBondContact O-CB 3.46Å; F273-K277 PolarHBondContact O-N 2.89Å |
| 274 | K | 91.4 | Very high | 88.1 | Confident | 120 Ų | 120 | 68.6 Ų | 68.6 | 52% | 0.522 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.1 | -167.6 | -179.6 | -177.4 | -176 | 0 | 111 | S271 P272 K277 Y278 | S271-K274 PolarHBondContact O-N 3.18Å; P272-K274 PolarHBondContact O-N 3.36Å; K274-K277 PolarHBondContact O-N 3.5Å; K274-Y278 VanDerWaalsContact O-CB 3.31Å; K274-Y278 WeakPolarHBondContact O-CB 3.24Å; K274-Y278 PolarHBondContact O-N 3.01Å |
| 275 | T | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | A253 R256 M257 C269 S271 P272 F273 Y278 V279 | A253-T275 HydrophobicContact CB-CG2 4.36Å; R256-T275 HydrophobicContact CB-CG2 3.94Å; M257-T275 HydrophobicContact CG-CG2 4.47Å; C269-T275 WeakPolarHBondContact CA-OG1 3.23Å; C269-T275 HydrophobicContact CB-CG2 4.37Å; S271-T275 WeakPolarHBondContact O-CB 3.13Å; S271-T275 PolarHBondContact O-N 2.74Å; S271-T275 PolarHBondContact O-OG1 3.29Å; P272-T275 WeakPolarHBondContact O-CB 3.43Å; P272-T275 PolarHBondContact O-N 3.06Å; F273-T275 VanDerWaalsContact C-N 3.3Å; F273-T275 PolarHBondContact O-N 2.69Å; T275-Y278 PolarHBondContact O-N 3.18Å; T275-V279 HydrophobicContact CG2-CG2 4.46Å; T275-V279 WeakPolarHBondContact O-CB 3.39Å; T275-V279 VanDerWaalsContact O-CG2 3.23Å; T275-V279 WeakPolarHBondContact O-CG2 3.38Å; T275-V279 PolarHBondContact O-N 2.91Å |
| 276 | L | 93.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 75 Ų | 75 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 176.8 | -90.5 | 85.8 | 0 | 0 | 0 | 111.2 | P249 L250 A253 P272 F273 Y278 V279 Y280 L289 | P249-L276 HydrophobicContact CB-CD2 3.81Å; L250-L276 HydrophobicContact CD2-CD1 4.45Å; A253-L276 HydrophobicContact CB-CD1 3.29Å; A253-L276 HydrophobicContact CB-CG 4.39Å; P272-L276 WeakPolarHBondContact O-CD1 3.32Å; P272-L276 PolarHBondContact O-N 3.2Å; F273-L276 PolarHBondContact O-N 3.49Å; L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.91Å; L276-V279 PolarHBondContact O-N 3.21Å; L276-Y280 VanDerWaalsContact O-CB 3.31Å; L276-Y280 WeakPolarHBondContact O-CB 3.06Å; L276-Y280 PolarHBondContact O-N 2.98Å; L276-L289 HydrophobicContact CG-CD2 4.31Å |
| 277 | K | 93.5 | Very high | 89.3 | Confident | 146 Ų | 146 | 83.2 Ų | 83.2 | 64% | 0.635 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.3 | -44.3 | 179.9 | -173.5 | 175.1 | -178.2 | 176.3 | 0 | 111.2 | F273 K274 Y280 N281 | F273-K277 WeakPolarHBondContact O-CB 3.46Å; F273-K277 PolarHBondContact O-N 2.89Å; K274-K277 PolarHBondContact O-N 3.5Å; K277-Y280 PolarHBondContact O-N 2.73Å; K277-N281 WeakPolarHBondContact O-CB 3.47Å; K277-N281 VanDerWaalsContact O-CG 3.25Å; K277-N281 PolarHBondContact O-N 2.88Å |
| 278 | Y | 92.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.6 | 174.5 | -108.2 | 0 | 0 | 0 | 112 | D265 K268 K274 T275 L276 Y280 N281 T282 | D265-Y278 HydrophobicContact CB-CE1 4.25Å; D265-Y278 VanDerWaalsContact CG-OH 3.27Å; D265-Y278 PolarHBondContact OD1-OH 2.73Å; D265-Y278 PolarHBondContact OD2-OH 3.34Å; K268-Y278 HydrophobicContact CB-CD1 4.25Å; K268-Y278 HydrophobicContact CB-CD2 4.36Å; K268-Y278 HydrophobicContact CB-CG 4.15Å; K268-Y278 HydrophobicContact CD-CD2 3.64Å; K268-Y278 HydrophobicContact CD-CE1 4.24Å; K268-Y278 HydrophobicContact CD-CE2 3.33Å; K268-Y278 HydrophobicContact CD-CG 4.24Å; K274-Y278 VanDerWaalsContact O-CB 3.31Å; K274-Y278 WeakPolarHBondContact O-CB 3.24Å; K274-Y278 PolarHBondContact O-N 3.01Å; T275-Y278 PolarHBondContact O-N 3.18Å; L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.91Å; Y278-Y280 VanDerWaalsContact C-N 3.32Å; Y278-Y280 PolarHBondContact O-N 3.43Å; Y278-N281 PolarHBondContact O-N 3.31Å; Y278-T282 VanDerWaalsContact CE2-OG1 3.24Å; Y278-T282 WeakPolarHBondContact CE2-OG1 3.26Å; Y278-T282 WeakPolarHBondContact O-CB 3.37Å; Y278-T282 PolarHBondContact O-N 3.12Å; Y278-T282 PolarHBondContact O-OG1 3.05Å; Y278-T282 VanDerWaalsContact O-OG1 3.11Å |
| 279 | V | 92.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 179.7 | 171 | 0 | 0 | 0 | 0 | 111.8 | V252 T275 L276 Y283 G284 L289 | V252-V279 HydrophobicContact CG1-CG1 4.36Å; T275-V279 HydrophobicContact CG2-CG2 4.46Å; T275-V279 WeakPolarHBondContact O-CB 3.39Å; T275-V279 VanDerWaalsContact O-CG2 3.23Å; T275-V279 WeakPolarHBondContact O-CG2 3.38Å; T275-V279 PolarHBondContact O-N 2.91Å; L276-V279 PolarHBondContact O-N 3.21Å; V279-Y283 HydrophobicContact CG1-CD2 4.36Å; V279-Y283 PolarHBondContact O-N 2.89Å; V279-G284 PolarHBondContact O-N 2.91Å; V279-L289 HydrophobicContact CB-CD2 4.32Å; V279-L289 HydrophobicContact CG1-CD2 3.95Å |
| 280 | Y | 93.9 | Very high | 90.9 | Very high | 120 Ų | 120 | 77 Ų | 77 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 177.2 | 178.1 | -98.5 | 0 | 0 | 0 | 111.2 | L276 K277 Y278 T282 G284 I285 L289 | L276-Y280 VanDerWaalsContact O-CB 3.31Å; L276-Y280 WeakPolarHBondContact O-CB 3.06Å; L276-Y280 PolarHBondContact O-N 2.98Å; K277-Y280 PolarHBondContact O-N 2.73Å; Y278-Y280 VanDerWaalsContact C-N 3.32Å; Y278-Y280 PolarHBondContact O-N 3.43Å; Y280-T282 PolarHBondContact O-N 3.43Å; Y280-G284 WeakPolarHBondContact O-CA 3.32Å; Y280-G284 PolarHBondContact O-N 3.26Å; Y280-I285 HydrophobicContact CD2-CG1 3.99Å; Y280-I285 HydrophobicContact CE2-CD1 4Å; Y280-I285 HydrophobicContact CE2-CG1 3.54Å; Y280-L289 HydrophobicContact CD2-CD1 3.92Å |
| 281 | N | 93.6 | Very high | 91.5 | Very high | 110 Ų | 110 | 75.3 Ų | 75.3 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.7 | -34.2 | -178.8 | -70.9 | -7.3 | 0 | 0 | 0 | 113 | K277 Y278 | K277-N281 WeakPolarHBondContact O-CB 3.47Å; K277-N281 VanDerWaalsContact O-CG 3.25Å; K277-N281 PolarHBondContact O-N 2.88Å; Y278-N281 PolarHBondContact O-N 3.31Å |
| 282 | T | 91.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 73.1 Ų | 73.1 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -90.3 | -38.6 | -175.2 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | Y278 Y280 | Y278-T282 VanDerWaalsContact CE2-OG1 3.24Å; Y278-T282 WeakPolarHBondContact CE2-OG1 3.26Å; Y278-T282 WeakPolarHBondContact O-CB 3.37Å; Y278-T282 PolarHBondContact O-N 3.12Å; Y278-T282 PolarHBondContact O-OG1 3.05Å; Y278-T282 VanDerWaalsContact O-OG1 3.11Å; Y280-T282 PolarHBondContact O-N 3.43Å |
| 283 | Y | 89.4 | Confident | 91.7 | Very high | 66 Ų | 66 | 73.5 Ų | 73.5 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -121 | -4.3 | -172.2 | -53.1 | -70.1 | 0 | 0 | 0 | 113.8 | Q57 V279 R287 G288 | Q57-Y283 HydrophobicContact CG-CD1 4.46Å; Q57-Y283 HydrophobicContact CG-CD2 4.25Å; Q57-Y283 HydrophobicContact CG-CE1 4.13Å; Q57-Y283 HydrophobicContact CG-CE2 3.89Å; V279-Y283 HydrophobicContact CG1-CD2 4.36Å; V279-Y283 PolarHBondContact O-N 2.89Å; Y283-R287 CarbonylContact O-C 3.51Å; Y283-G288 PolarHBondContact O-N 3.46Å |
| 284 | G | 92.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | 69.1 | -166.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V279 Y280 G288 L289 | V279-G284 PolarHBondContact O-N 2.91Å; Y280-G284 WeakPolarHBondContact O-CA 3.32Å; Y280-G284 PolarHBondContact O-N 3.26Å; G284-G288 WeakPolarHBondContact O-CA 3.3Å; G284-G288 PolarHBondContact O-N 3.44Å; G284-G288 VanDerWaalsContact O-N 3.14Å; G284-L289 PolarHBondContact O-N 2.92Å |
| 285 | I | 91.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 62 Ų | 62 | 46% | 0.456 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -75.2 | -57.4 | -174.8 | -60.2 | 173.1 | 0 | 0 | 0 | 111.3 | Y280 L289 Y290 | Y280-I285 HydrophobicContact CD2-CG1 3.99Å; Y280-I285 HydrophobicContact CE2-CD1 4Å; Y280-I285 HydrophobicContact CE2-CG1 3.54Å; I285-L289 PolarHBondContact O-N 3.44Å; I285-L289 VanDerWaalsContact O-N 3.15Å; I285-Y290 HydrophobicContact CG2-CD2 3.64Å; I285-Y290 HydrophobicContact CG2-CE2 3.89Å; I285-Y290 PolarHBondContact O-N 2.88Å |
| 286 | K | 88.5 | Confident | 91.8 | Very high | 188 Ų | 188 | 62.5 Ų | 62.5 | 82% | 0.817 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -68.8 | -46.6 | -172.8 | -67.3 | -174.7 | 179.6 | -179.2 | 0 | 113 | ||
| 287 | R | 86.4 | Confident | 91.7 | Very high | 194 Ų | 194 | 64.5 Ų | 64.5 | 73% | 0.732 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -92.7 | -9.9 | -177.7 | -70.4 | -174.8 | 177.7 | 176.6 | 0.5 | 113.7 | Q57 Y283 R291 | Q57-R287 PolarHBondContact NE2-O 2.91Å; Y283-R287 CarbonylContact O-C 3.51Å; R287-R291 VanDerWaalsContact O-CD 3.27Å; R287-R291 WeakPolarHBondContact O-CD 3.31Å |
| 288 | G | 90.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -104.1 | -84.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y283 G284 Y290 R291 | Y283-G288 PolarHBondContact O-N 3.46Å; G284-G288 WeakPolarHBondContact O-CA 3.3Å; G284-G288 PolarHBondContact O-N 3.44Å; G284-G288 VanDerWaalsContact O-N 3.14Å; G288-Y290 VanDerWaalsContact C-N 3.31Å; G288-Y290 PolarHBondContact O-N 2.93Å; G288-R291 PolarHBondContact O-N 2.79Å |
| 289 | L | 92.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -64.2 | -29.4 | -169.3 | -63.6 | -179.1 | 0 | 0 | 0 | 114.5 | Y248 P249 V252 L276 V279 Y280 G284 I285 | Y248-L289 WeakPolarHBondContact CD1-O 3.35Å; P249-L289 HydrophobicContact CB-CD2 4.43Å; V252-L289 WeakPolarHBondContact CG2-O 3.36Å; L276-L289 HydrophobicContact CG-CD2 4.31Å; V279-L289 HydrophobicContact CB-CD2 4.32Å; V279-L289 HydrophobicContact CG1-CD2 3.95Å; Y280-L289 HydrophobicContact CD2-CD1 3.92Å; G284-L289 PolarHBondContact O-N 2.92Å; I285-L289 PolarHBondContact O-N 3.44Å; I285-L289 VanDerWaalsContact O-N 3.15Å |
| 290 | Y | 94.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 12.5 | -176.3 | -71.5 | -84.7 | 0 | 0 | 0 | 114.4 | T245 Y248 P249 I285 G288 G292 L293 | T245-Y290 HydrophobicContact CG2-CE1 4.13Å; T245-Y290 WeakPolarHBondContact O-CE1 3.48Å; Y248-Y290 HydrophobicContact CD1-CD1 4.06Å; P249-Y290 HydrophobicContact CG-CE2 4.44Å; I285-Y290 HydrophobicContact CG2-CD2 3.64Å; I285-Y290 HydrophobicContact CG2-CE2 3.89Å; I285-Y290 PolarHBondContact O-N 2.88Å; G288-Y290 VanDerWaalsContact C-N 3.31Å; G288-Y290 PolarHBondContact O-N 2.93Å; Y290-G292 PolarHBondContact O-N 2.85Å; Y290-L293 HydrophobicContact CD1-CD2 3.83Å; Y290-L293 HydrophobicContact CE1-CD2 4.47Å; Y290-L293 WeakPolarHBondContact O-CB 3.2Å; Y290-L293 PolarHBondContact O-N 3.39Å |
| 291 | R | 91.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 65.7 Ų | 65.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 123.3 | -177 | -169.9 | 169.6 | -180 | 156.3 | 12.7 | 111.2 | L54 Q55 Q57 K62 L64 Y248 R287 G288 | L54-R291 HydrophobicContact CB-CG 4.08Å; L54-R291 VanDerWaalsContact O-CD 3.23Å; L54-R291 WeakPolarHBondContact O-CD 3.16Å; L54-R291 PolarHBondContact O-NE 2.86Å; Q55-R291 WeakPolarHBondContact CG-O 3.33Å; Q57-R291 VanDerWaalsContact CD-NH1 3.26Å; Q57-R291 VanDerWaalsContact NE2-CD 3.31Å; K62-R291 VanDerWaalsContact C-NH2 3.3Å; K62-R291 VanDerWaalsContact O-CZ 3.28Å; K62-R291 PolarHBondContact O-NH1 3.45Å; K62-R291 PolarHBondContact O-NH2 3.02Å; L64-R291 PolarHBondContact O-NH2 2.81Å; Y248-R291 WeakPolarHBondContact CE1-O 3.47Å; Y248-R291 PolarHBondContact OH-O 3.44Å; R287-R291 VanDerWaalsContact O-CD 3.27Å; R287-R291 WeakPolarHBondContact O-CD 3.31Å; G288-R291 PolarHBondContact O-N 2.79Å |
| 292 | G | 90.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y248 Y290 S294 L295 | Y248-G292 WeakPolarHBondContact OH-CA 3.46Å; Y248-G292 PolarHBondContact OH-O 2.98Å; Y290-G292 PolarHBondContact O-N 2.85Å; G292-S294 VanDerWaalsContact C-N 3.28Å; G292-S294 PolarHBondContact O-N 2.78Å; G292-L295 WeakPolarHBondContact O-CB 3.37Å; G292-L295 PolarHBondContact O-N 2.84Å; G292-L295 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 92.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -39.4 | -178 | 174.8 | 64.1 | 0 | 0 | 0 | 112.5 | Q244 T245 Y248 Y290 L295 N296 Y297 | Q244-L293 HydrophobicContact CG-CD1 4.34Å; T245-L293 HydrophobicContact CG2-CD2 4.34Å; Y248-L293 HydrophobicContact CD1-CB 4.27Å; Y248-L293 HydrophobicContact CD1-CD1 4.31Å; Y248-L293 HydrophobicContact CD2-CB 4.38Å; Y248-L293 HydrophobicContact CD2-CD1 3.36Å; Y248-L293 HydrophobicContact CD2-CG 4.47Å; Y248-L293 HydrophobicContact CE1-CB 4.02Å; Y248-L293 HydrophobicContact CE2-CB 4.12Å; Y248-L293 HydrophobicContact CE2-CD1 3.77Å; Y248-L293 HydrophobicContact CG-CB 4.45Å; Y248-L293 HydrophobicContact CG-CD1 3.67Å; Y248-L293 VanDerWaalsContact CZ-CA 3.5Å; Y248-L293 PolarHBondContact OH-N 3.16Å; Y248-L293 VanDerWaalsContact OH-N 3.08Å; Y290-L293 HydrophobicContact CD1-CD2 3.83Å; Y290-L293 HydrophobicContact CE1-CD2 4.47Å; Y290-L293 WeakPolarHBondContact O-CB 3.2Å; Y290-L293 PolarHBondContact O-N 3.39Å; L293-L295 PolarHBondContact O-N 2.95Å; L293-N296 WeakPolarHBondContact O-CB 3.22Å; L293-N296 PolarHBondContact O-N 3.41Å; L293-Y297 HydrophobicContact CD1-CE1 4.13Å; L293-Y297 HydrophobicContact CD1-CE2 4.35Å; L293-Y297 WeakPolarHBondContact CD1-OH 3.31Å; L293-Y297 HydrophobicContact CD2-CE2 4.22Å; L293-Y297 WeakPolarHBondContact CD2-OH 3.48Å; L293-Y297 HydrophobicContact CG-CE2 3.87Å |
| 294 | S | 93.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.4 | -31.4 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | G292 N296 Y297 I298 | G292-S294 VanDerWaalsContact C-N 3.28Å; G292-S294 PolarHBondContact O-N 2.78Å; S294-N296 PolarHBondContact O-N 2.81Å; S294-Y297 PolarHBondContact O-N 2.87Å; S294-Y297 VanDerWaalsContact O-N 3.15Å; S294-I298 WeakPolarHBondContact O-CG1 3.19Å; S294-I298 PolarHBondContact O-N 2.93Å |
| 295 | L | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -28.7 | 176.9 | -66.5 | 165.8 | 0 | 0 | 0 | 112.2 | L47 V50 K51 L54 V66 G292 L293 Y297 R299 | L47-L295 HydrophobicContact CB-CD2 4.31Å; L47-L295 HydrophobicContact CD2-CD2 3.87Å; V50-L295 HydrophobicContact CB-CD1 4.28Å; V50-L295 HydrophobicContact CG1-CD1 3.91Å; K51-L295 HydrophobicContact CB-CB 4.38Å; K51-L295 HydrophobicContact CB-CD1 3.76Å; L54-L295 HydrophobicContact CD1-CD1 4.32Å; V66-L295 HydrophobicContact CG1-CD1 3.97Å; V66-L295 HydrophobicContact CG1-CD2 3.47Å; V66-L295 VanDerWaalsContact CG1-CD2 3.47Å; V66-L295 HydrophobicContact CG1-CG 3.63Å; V66-L295 HydrophobicContact CG2-CD1 4.32Å; V66-L295 HydrophobicContact CG2-CG 4.38Å; G292-L295 WeakPolarHBondContact O-CB 3.37Å; G292-L295 PolarHBondContact O-N 2.84Å; G292-L295 VanDerWaalsContact O-N 3.11Å; L293-L295 PolarHBondContact O-N 2.95Å; L295-Y297 VanDerWaalsContact C-N 3.33Å; L295-R299 VanDerWaalsContact O-CB 3.31Å; L295-R299 WeakPolarHBondContact O-CB 3.43Å; L295-R299 WeakPolarHBondContact O-CD 3.14Å; L295-R299 WeakPolarHBondContact O-CG 3.37Å; L295-R299 PolarHBondContact O-N 2.91Å; L295-R299 VanDerWaalsContact O-N 3.14Å |
| 296 | N | 90.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.053 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 174.9 | -100.8 | -14.2 | 0 | 0 | 0 | 111.9 | K51 Q244 Y248 L293 S294 R299 | K51-N296 PolarHBondContact NZ-ND2 3.12Å; K51-N296 PolarHBondContact NZ-OD1 3.34Å; Q244-N296 HydrophobicContact CG-CB 4.1Å; Q244-N296 PolarHBondContact NE2-ND2 2.98Å; Q244-N296 VanDerWaalsContact NE2-ND2 3.15Å; Q244-N296 PolarHBondContact OE1-ND2 3.48Å; Y248-N296 VanDerWaalsContact CE2-ND2 3.29Å; Y248-N296 WeakPolarHBondContact CE2-ND2 3.24Å; L293-N296 WeakPolarHBondContact O-CB 3.22Å; L293-N296 PolarHBondContact O-N 3.41Å; S294-N296 PolarHBondContact O-N 2.81Å; N296-R299 PolarHBondContact OD1-NE 3.3Å; N296-R299 PolarHBondContact OD1-NH2 3.05Å |
| 297 | Y | 92 | Very high | 91.3 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.9 | -48.9 | 178.1 | -54 | -33.3 | 0 | 0 | 0 | 111 | A241 Q244 T245 L293 S294 L295 R299 C300 | A241-Y297 HydrophobicContact CB-CD1 4.11Å; A241-Y297 HydrophobicContact CB-CE1 3.85Å; A241-Y297 PolarHBondContact O-OH 2.88Å; Q244-Y297 HydrophobicContact CB-CE1 4.44Å; Q244-Y297 HydrophobicContact CG-CE1 4.42Å; T245-Y297 PolarHBondContact OG1-OH 3.43Å; L293-Y297 HydrophobicContact CD1-CE1 4.13Å; L293-Y297 HydrophobicContact CD1-CE2 4.35Å; L293-Y297 WeakPolarHBondContact CD1-OH 3.31Å; L293-Y297 HydrophobicContact CD2-CE2 4.22Å; L293-Y297 WeakPolarHBondContact CD2-OH 3.48Å; L293-Y297 HydrophobicContact CG-CE2 3.87Å; S294-Y297 PolarHBondContact O-N 2.87Å; S294-Y297 VanDerWaalsContact O-N 3.15Å; L295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-R299 VanDerWaalsContact C-N 3.32Å; Y297-R299 PolarHBondContact O-N 3.43Å; Y297-C300 PolarHBondContact O-N 3.46Å |
| 298 | I | 92.4 | Very high | 91.5 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -176.2 | -64.6 | 165.7 | 0 | 0 | 0 | 111.3 | L47 S294 C300 P302 | L47-I298 HydrophobicContact CD1-CG2 4.06Å; S294-I298 WeakPolarHBondContact O-CG1 3.19Å; S294-I298 PolarHBondContact O-N 2.93Å; I298-C300 VanDerWaalsContact C-N 3.27Å; I298-C300 PolarHBondContact O-N 2.9Å; I298-P302 WeakPolarHBondContact O-CD 3.46Å |
| 299 | R | 91.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 21% | 0.211 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.7 | -175.4 | 75.7 | -174.8 | -176.9 | 143.7 | 5.6 | 114.6 | I44 L47 D48 L295 N296 Y297 S303 | I44-R299 HydrophobicContact CB-CB 4.29Å; I44-R299 HydrophobicContact CG2-CB 4.12Å; I44-R299 WeakPolarHBondContact CG2-O 3.47Å; L47-R299 HydrophobicContact CB-CB 4.47Å; L47-R299 HydrophobicContact CD1-CB 3.86Å; D48-R299 WeakPolarHBondContact OD1-CD 3.26Å; D48-R299 IonicContact OD1-CZ 2.75Å; D48-R299 IonicContact OD1-NE 3.75Å; D48-R299 IonicContact OD1-NH1 3.22Å; D48-R299 PolarHBondContact OD1-NH1 3.45Å; D48-R299 IonicContact OD2-NH1 3.99Å; L295-R299 VanDerWaalsContact O-CB 3.31Å; L295-R299 WeakPolarHBondContact O-CB 3.43Å; L295-R299 WeakPolarHBondContact O-CD 3.14Å; L295-R299 WeakPolarHBondContact O-CG 3.37Å; L295-R299 PolarHBondContact O-N 2.91Å; L295-R299 VanDerWaalsContact O-N 3.14Å; N296-R299 PolarHBondContact OD1-NE 3.3Å; N296-R299 PolarHBondContact OD1-NH2 3.05Å; Y297-R299 VanDerWaalsContact C-N 3.32Å; Y297-R299 PolarHBondContact O-N 3.43Å; R299-S303 VanDerWaalsContact O-CB 3.23Å; R299-S303 WeakPolarHBondContact O-CB 3.24Å; R299-S303 PolarHBondContact O-N 3.48Å |
| 300 | C | 87.3 | Confident | 91.7 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 48% | 0.48 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | -174 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | Y297 I298 S303 Q304 | Y297-C300 PolarHBondContact O-N 3.46Å; I298-C300 VanDerWaalsContact C-N 3.27Å; I298-C300 PolarHBondContact O-N 2.9Å; C300-S303 PolarHBondContact O-N 3.26Å; C300-Q304 PolarHBondContact O-N 3.01Å |
| 301 | V | 90.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -51.7 | -175.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | S303 Q304 A305 | V301-S303 VanDerWaalsContact C-N 3.32Å; V301-S303 PolarHBondContact O-N 3.45Å; V301-Q304 PolarHBondContact O-N 2.86Å; V301-A305 WeakPolarHBondContact O-CB 3.27Å; V301-A305 PolarHBondContact O-N 3.03Å |
| 302 | P | 93.2 | Very high | 91.5 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 178.6 | -22 | 34.1 | 0 | 0 | 0 | 113.1 | T43 I44 I298 M306 | T43-P302 HydrophobicContact CG2-CB 4.16Å; I44-P302 HydrophobicContact CG2-CB 4.45Å; I298-P302 WeakPolarHBondContact O-CD 3.46Å; P302-M306 WeakPolarHBondContact O-CB 3.25Å; P302-M306 WeakPolarHBondContact O-CG 3.38Å; P302-M306 PolarHBondContact O-N 2.99Å |
| 303 | S | 91.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | A40 R299 C300 V301 A307 | A40-S303 WeakPolarHBondContact CB-O 3.12Å; R299-S303 VanDerWaalsContact O-CB 3.23Å; R299-S303 WeakPolarHBondContact O-CB 3.24Å; R299-S303 PolarHBondContact O-N 3.48Å; C300-S303 PolarHBondContact O-N 3.26Å; V301-S303 VanDerWaalsContact C-N 3.32Å; V301-S303 PolarHBondContact O-N 3.45Å; S303-A307 VanDerWaalsContact O-CB 3.31Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.33Å |
| 304 | Q | 89.2 | Confident | 91.5 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | -179 | -91 | 18.5 | 78.6 | 0 | 0 | 112.2 | C300 V301 M306 A307 F308 | C300-Q304 PolarHBondContact O-N 3.01Å; V301-Q304 PolarHBondContact O-N 2.86Å; Q304-M306 PolarHBondContact O-N 3.36Å; Q304-A307 PolarHBondContact O-N 3.02Å; Q304-F308 HydrophobicContact CB-CD2 4.47Å; Q304-F308 HydrophobicContact CB-CE2 4.41Å; Q304-F308 HydrophobicContact CG-CE2 4.45Å; Q304-F308 WeakPolarHBondContact O-CD2 3.35Å; Q304-F308 PolarHBondContact O-N 3.45Å |
| 305 | A | 91.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 62 Ų | 62 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.6 | -50.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | V301 A307 F308 T309 | V301-A305 WeakPolarHBondContact O-CB 3.27Å; V301-A305 PolarHBondContact O-N 3.03Å; A305-A307 PolarHBondContact O-N 3.45Å; A305-F308 PolarHBondContact O-N 2.9Å; A305-T309 WeakPolarHBondContact O-CB 3.4Å; A305-T309 PolarHBondContact O-N 2.89Å; A305-T309 PolarHBondContact O-OG1 3.17Å |
| 306 | M | 93.3 | Very high | 91.1 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 35% | 0.345 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 179.3 | -72.4 | -59.7 | -53.6 | 0 | 0 | 113.2 | A40 T43 P302 Q304 T310 | A40-M306 HydrophobicContact CB-CB 4.43Å; T43-M306 HydrophobicContact CG2-CG 3.88Å; T43-M306 WeakPolarHBondContact OG1-CG 3.27Å; P302-M306 WeakPolarHBondContact O-CB 3.25Å; P302-M306 WeakPolarHBondContact O-CG 3.38Å; P302-M306 PolarHBondContact O-N 2.99Å; Q304-M306 PolarHBondContact O-N 3.36Å; M306-T310 WeakPolarHBondContact O-CB 3.5Å; M306-T310 PolarHBondContact O-N 3.35Å; M306-T310 PolarHBondContact O-OG1 3.12Å |
| 307 | A | 91.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A40 S303 Q304 A305 Y311 | A40-A307 HydrophobicContact CB-CB 3.86Å; S303-A307 VanDerWaalsContact O-CB 3.31Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.33Å; Q304-A307 PolarHBondContact O-N 3.02Å; A305-A307 PolarHBondContact O-N 3.45Å; A307-Y311 WeakPolarHBondContact O-CB 3.37Å; A307-Y311 PolarHBondContact O-N 3.26Å |
| 308 | F | 90.5 | Very high | 90.8 | Very high | 135 Ų | 135 | 68.3 Ų | 68.3 | 59% | 0.592 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.5 | -49.7 | 179.9 | -75.7 | -65.3 | 0 | 0 | 0 | 111.8 | Q304 A305 T310 Y311 E312 | Q304-F308 HydrophobicContact CB-CD2 4.47Å; Q304-F308 HydrophobicContact CB-CE2 4.41Å; Q304-F308 HydrophobicContact CG-CE2 4.45Å; Q304-F308 WeakPolarHBondContact O-CD2 3.35Å; Q304-F308 PolarHBondContact O-N 3.45Å; A305-F308 PolarHBondContact O-N 2.9Å; F308-T310 VanDerWaalsContact C-N 3.33Å; F308-T310 PolarHBondContact O-N 2.88Å; F308-Y311 PolarHBondContact O-N 3.44Å; F308-Y311 VanDerWaalsContact O-N 3.16Å; F308-E312 WeakPolarHBondContact O-CG 3.27Å; F308-E312 PolarHBondContact O-N 3.15Å |
| 309 | T | 93.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 71.9 Ų | 71.9 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 179.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | A305 F313 | A305-T309 WeakPolarHBondContact O-CB 3.4Å; A305-T309 PolarHBondContact O-N 2.89Å; A305-T309 PolarHBondContact O-OG1 3.17Å; T309-F313 WeakPolarHBondContact O-CB 3.38Å; T309-F313 PolarHBondContact O-N 2.86Å |
| 310 | T | 92.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 70 Ų | 70 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | V35 A36 C39 M306 F308 F313 M314 | V35-T310 HydrophobicContact CG1-CG2 4.13Å; A36-T310 HydrophobicContact CB-CG2 4.08Å; C39-T310 HydrophobicContact CB-CG2 4.12Å; M306-T310 WeakPolarHBondContact O-CB 3.5Å; M306-T310 PolarHBondContact O-N 3.35Å; M306-T310 PolarHBondContact O-OG1 3.12Å; F308-T310 VanDerWaalsContact C-N 3.33Å; F308-T310 PolarHBondContact O-N 2.88Å; T310-F313 PolarHBondContact O-N 3.44Å; T310-M314 HydrophobicContact CG2-CG 4.2Å; T310-M314 WeakPolarHBondContact O-CB 3.46Å; T310-M314 WeakPolarHBondContact O-CG 3.31Å; T310-M314 PolarHBondContact O-N 2.75Å |
| 311 | Y | 90.5 | Very high | 88.2 | Confident | 74 Ų | 74 | 74.2 Ų | 74.2 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 179 | -176 | -110 | 0 | 0 | 0 | 112.2 | A32 A307 F308 M314 K315 | A32-Y311 HydrophobicContact CB-CD2 4.18Å; A32-Y311 HydrophobicContact CB-CE2 4.12Å; A307-Y311 WeakPolarHBondContact O-CB 3.37Å; A307-Y311 PolarHBondContact O-N 3.26Å; F308-Y311 PolarHBondContact O-N 3.44Å; F308-Y311 VanDerWaalsContact O-N 3.16Å; Y311-M314 PolarHBondContact O-N 2.82Å; Y311-K315 HydrophobicContact CD1-CD 4.26Å; Y311-K315 VanDerWaalsContact CD1-CE 3.44Å; Y311-K315 HydrophobicContact CE1-CD 3.69Å; Y311-K315 HydrophobicContact CE1-CG 4.36Å; Y311-K315 WeakPolarHBondContact O-CG 3.32Å; Y311-K315 PolarHBondContact O-N 2.97Å |
| 312 | E | 90.5 | Very high | 88.2 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.7 | -67.5 | -54.1 | 139.8 | 0 | 0 | 111.7 | F308 M314 K315 Q316 | F308-E312 WeakPolarHBondContact O-CG 3.27Å; F308-E312 PolarHBondContact O-N 3.15Å; E312-M314 PolarHBondContact O-N 2.97Å; E312-K315 PolarHBondContact O-N 3.44Å; E312-K315 WeakPolarHBondContact OE1-CE 3.48Å; E312-K315 IonicContact OE1-NZ 3.94Å; E312-K315 PolarHBondContact OE1-NZ 3.39Å; E312-K315 VanDerWaalsContact OE2-CE 3.3Å; E312-K315 WeakPolarHBondContact OE2-CE 3.3Å; E312-K315 IonicContact OE2-NZ 2.73Å; E312-K315 PolarHBondContact OE2-NZ 3.1Å; E312-Q316 WeakPolarHBondContact O-CG 3.23Å; E312-Q316 PolarHBondContact O-N 3.01Å; E312-Q316 VanDerWaalsContact O-N 3.1Å |
| 313 | F | 92.2 | Very high | 87.9 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.5 | 179.6 | -101.8 | 0 | 0 | 0 | 112.1 | T309 T310 K315 Q316 V317 | T309-F313 WeakPolarHBondContact O-CB 3.38Å; T309-F313 PolarHBondContact O-N 2.86Å; T310-F313 PolarHBondContact O-N 3.44Å; F313-K315 VanDerWaalsContact C-N 3.32Å; F313-K315 PolarHBondContact O-N 3.47Å; F313-Q316 WeakPolarHBondContact O-CB 3.46Å; F313-Q316 PolarHBondContact O-N 3.05Å; F313-V317 HydrophobicContact CD1-CG2 4.13Å; F313-V317 HydrophobicContact CE1-CG2 3.68Å; F313-V317 HydrophobicContact CE2-CG2 4.13Å; F313-V317 HydrophobicContact CZ-CG2 3.68Å; F313-V317 WeakPolarHBondContact O-CG2 3.39Å; F313-V317 PolarHBondContact O-N 3.39Å |
| 314 | M | 91.1 | Very high | 87.7 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 178.5 | -72.8 | -60.8 | -60.2 | 0 | 0 | 112.4 | A32 V35 T310 Y311 E312 Q316 V317 L318 | A32-M314 HydrophobicContact CB-CB 3.62Å; A32-M314 HydrophobicContact CB-CG 4.48Å; V35-M314 HydrophobicContact CB-CE 4.4Å; V35-M314 HydrophobicContact CB-CG 4.4Å; V35-M314 HydrophobicContact CB-SD 4.43Å; V35-M314 HydrophobicContact CG1-CG 4.23Å; V35-M314 HydrophobicContact CG1-SD 4.01Å; V35-M314 HydrophobicContact CG2-CE 4.27Å; T310-M314 HydrophobicContact CG2-CG 4.2Å; T310-M314 WeakPolarHBondContact O-CB 3.46Å; T310-M314 WeakPolarHBondContact O-CG 3.31Å; T310-M314 PolarHBondContact O-N 2.75Å; Y311-M314 PolarHBondContact O-N 2.82Å; E312-M314 PolarHBondContact O-N 2.97Å; M314-Q316 VanDerWaalsContact C-N 3.35Å; M314-V317 PolarHBondContact O-N 2.9Å; M314-L318 HydrophobicContact CE-CD1 3.97Å; M314-L318 HydrophobicContact CE-CG 4.35Å; M314-L318 VanDerWaalsContact O-CB 3.27Å; M314-L318 WeakPolarHBondContact O-CB 3.42Å; M314-L318 VanDerWaalsContact O-CG 3.27Å; M314-L318 WeakPolarHBondContact O-CG 3.32Å; M314-L318 PolarHBondContact O-N 3.08Å |
| 315 | K | 87.9 | Confident | 87.6 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 173.5 | -77.8 | -174.2 | -72.9 | 164.8 | 0 | 112.3 | Y311 E312 F313 H319 L320 | Y311-K315 HydrophobicContact CD1-CD 4.26Å; Y311-K315 VanDerWaalsContact CD1-CE 3.44Å; Y311-K315 HydrophobicContact CE1-CD 3.69Å; Y311-K315 HydrophobicContact CE1-CG 4.36Å; Y311-K315 WeakPolarHBondContact O-CG 3.32Å; Y311-K315 PolarHBondContact O-N 2.97Å; E312-K315 PolarHBondContact O-N 3.44Å; E312-K315 WeakPolarHBondContact OE1-CE 3.48Å; E312-K315 IonicContact OE1-NZ 3.94Å; E312-K315 PolarHBondContact OE1-NZ 3.39Å; E312-K315 VanDerWaalsContact OE2-CE 3.3Å; E312-K315 WeakPolarHBondContact OE2-CE 3.3Å; E312-K315 IonicContact OE2-NZ 2.73Å; E312-K315 PolarHBondContact OE2-NZ 3.1Å; F313-K315 VanDerWaalsContact C-N 3.32Å; F313-K315 PolarHBondContact O-N 3.47Å; K315-H319 PolarHBondContact O-N 3.41Å; K315-H319 VanDerWaalsContact O-N 3.15Å; K315-L320 HydrophobicContact CB-CB 4.2Å; K315-L320 HydrophobicContact CG-CB 4.14Å; K315-L320 HydrophobicContact CG-CD1 4.23Å; K315-L320 PolarHBondContact O-N 3.4Å |
| 316 | Q | 89.4 | Confident | 87.3 | Confident | 115 Ų | 115 | 78 Ų | 78 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 174.6 | -68.1 | 173.3 | -0.8 | 0 | 0 | 111.4 | E312 F313 M314 L318 H319 | E312-Q316 WeakPolarHBondContact O-CG 3.23Å; E312-Q316 PolarHBondContact O-N 3.01Å; E312-Q316 VanDerWaalsContact O-N 3.1Å; F313-Q316 WeakPolarHBondContact O-CB 3.46Å; F313-Q316 PolarHBondContact O-N 3.05Å; M314-Q316 VanDerWaalsContact C-N 3.35Å; Q316-L318 VanDerWaalsContact C-N 3.32Å; Q316-L318 PolarHBondContact O-N 3.15Å; Q316-H319 PolarHBondContact O-N 3Å |
| 317 | V | 90.1 | Very high | 86.9 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 179.8 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | F313 M314 H319 | F313-V317 HydrophobicContact CD1-CG2 4.13Å; F313-V317 HydrophobicContact CE1-CG2 3.68Å; F313-V317 HydrophobicContact CE2-CG2 4.13Å; F313-V317 HydrophobicContact CZ-CG2 3.68Å; F313-V317 WeakPolarHBondContact O-CG2 3.39Å; F313-V317 PolarHBondContact O-N 3.39Å; M314-V317 PolarHBondContact O-N 2.9Å; V317-H319 VanDerWaalsContact C-N 3.3Å; V317-H319 PolarHBondContact O-ND1 3.41Å |
| 318 | L | 86.4 | Confident | 86.6 | Confident | 37 Ų | 37 | 82.6 Ų | 82.6 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.9 | -178.8 | -64.1 | 173.7 | 0 | 0 | 0 | 113.5 | C28 A32 M314 Q316 L320 | C28-L318 HydrophobicContact CB-CB 4.5Å; C28-L318 HydrophobicContact CB-CD1 4.08Å; C28-L318 WeakPolarHBondContact O-CD1 3.47Å; A32-L318 HydrophobicContact CB-CD1 4.11Å; M314-L318 HydrophobicContact CE-CD1 3.97Å; M314-L318 HydrophobicContact CE-CG 4.35Å; M314-L318 VanDerWaalsContact O-CB 3.27Å; M314-L318 WeakPolarHBondContact O-CB 3.42Å; M314-L318 VanDerWaalsContact O-CG 3.27Å; M314-L318 WeakPolarHBondContact O-CG 3.32Å; M314-L318 PolarHBondContact O-N 3.08Å; Q316-L318 VanDerWaalsContact C-N 3.32Å; Q316-L318 PolarHBondContact O-N 3.15Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 HydrophobicContact CB-CD1 3.92Å; L318-L320 HydrophobicContact CB-CG 3.86Å; L318-L320 HydrophobicContact CD1-CD1 4.19Å; L318-L320 PolarHBondContact O-N 2.8Å |
| 319 | H | 83 | Confident | 86.3 | Confident | 171 Ų | 171 | 78.5 Ų | 78.5 | 79% | 0.792 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44.6 | -177.2 | -54.5 | 92.1 | 0 | 0 | 0 | 112.8 | K315 Q316 V317 | K315-H319 PolarHBondContact O-N 3.41Å; K315-H319 VanDerWaalsContact O-N 3.15Å; Q316-H319 PolarHBondContact O-N 3Å; V317-H319 VanDerWaalsContact C-N 3.3Å; V317-H319 PolarHBondContact O-ND1 3.41Å |
| 320 | L | 75.5 | Confident | 85.7 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | trans | -93.4 | 5 | 179.4 | -65.7 | 172.6 | 0 | 0 | 0 | 113.6 | Y25 C28 K315 L318 | Y25-L320 HydrophobicContact CD2-CD2 3.52Å; Y25-L320 HydrophobicContact CE2-CB 4.32Å; Y25-L320 HydrophobicContact CE2-CD2 3.85Å; Y25-L320 HydrophobicContact CG-CD2 4.29Å; C28-L320 HydrophobicContact CB-CD1 3.88Å; C28-L320 HydrophobicContact CB-CD2 3.73Å; C28-L320 HydrophobicContact CB-CG 4.21Å; K315-L320 HydrophobicContact CB-CB 4.2Å; K315-L320 HydrophobicContact CG-CB 4.14Å; K315-L320 HydrophobicContact CG-CD1 4.23Å; K315-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 HydrophobicContact CB-CD1 3.92Å; L318-L320 HydrophobicContact CB-CG 3.86Å; L318-L320 HydrophobicContact CD1-CD1 4.19Å; L318-L320 PolarHBondContact O-N 2.8Å | ||
| 321 | N | 59.3 | Low | 85.1 | Confident | 159 Ų | 159 | 82.7 Ų | 82.7 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | trans | -89.2 | 0 | -179.6 | -72.4 | -17.6 | 0 | 0 | 0 | 112.4 |
Retrieved 321 of 321 residues in 64 ms
(Link to these results)