| 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 | 32.4 | Very low | 34 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 100% | 1.187 | 84% | 0.84 | S | S | * | * | 0 | 119.4 | 0 | -69.4 | 171.8 | 172.9 | 0 | 0 | 105.9 | |||||
| 2 | N | 29.7 | Very low | 33.7 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 92% | 0.92 | 83% | 0.831 | S | S | * | * | trans | 74.9 | 82.5 | -160.9 | -64.1 | -5.3 | 0 | 0 | 0 | 115.9 | ||||
| 3 | S | 35.1 | Very low | 33.2 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -166.5 | 21 | 152.8 | -140.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 4 | T | 35.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -123.7 | 25.4 | -178.2 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 5 | A | 37.5 | Very low | 33.1 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -96 | 4.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 6 | S | 35.5 | Very low | 33.2 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -99.8 | 3.8 | -176.5 | 49.7 | 0 | 0 | 0 | 0 | 115 | ||
| 7 | A | 36.5 | Very low | 33.1 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -95.6 | -7.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 8 | F | 32.9 | Very low | 33 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -107.5 | 4.8 | -172.6 | -114 | -86.9 | 0 | 0 | 0 | 115.7 | ||
| 9 | V | 36.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 62% | 0.624 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -104.7 | 4.8 | -173.1 | -175.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 10 | N | 28.4 | Very low | 33 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -112.2 | 25.9 | -172.8 | -96.1 | 15.6 | 0 | 0 | 0 | 116.9 | ||||
| 11 | F | 34.1 | Very low | 33.1 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -104.2 | 6.9 | 166.7 | -99.1 | -83.3 | 0 | 0 | 0 | 115 | T13 | F11-T13 PolarHBondContact O-N 3.19Š| ||
| 12 | T | 29.9 | Very low | 33.1 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -94.8 | 79.3 | 168.2 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | T | 28.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -158.7 | 99.7 | 148.9 | 2.6 | 0 | 0 | 0 | 0 | 108.3 | F11 A15 | F11-T13 PolarHBondContact O-N 3.19Å; T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.06Å | ||
| 14 | P | 30.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 93.6 | 167 | 28.3 | -27.9 | 0 | 0 | 0 | 107.2 | N16 | P14-N16 VanDerWaalsContact C-N 3.27Å; P14-N16 PolarHBondContact O-N 3.35Å | ||
| 15 | A | 33.6 | Very low | 34 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -76 | 86.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | T13 E17 | T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.06Å; A15-E17 PolarHBondContact O-N 3.37Å | ||
| 16 | N | 34.3 | Very low | 34.5 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 41.3 | 58.1 | 132.7 | -152.5 | 33.4 | 0 | 0 | 0 | 116.9 | P14 | P14-N16 VanDerWaalsContact C-N 3.27Å; P14-N16 PolarHBondContact O-N 3.35Å | ||
| 17 | E | 31.6 | Very low | 35.1 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -95.4 | 83.8 | 148.8 | -89.1 | 171.8 | 170.8 | 0 | 0 | 106.5 | A15 D19 | A15-E17 PolarHBondContact O-N 3.37Å; E17-D19 PolarHBondContact O-N 3.47Å | ||
| 18 | T | 31.4 | Very low | 35.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | trans | -72 | 60.4 | 154.1 | 32.7 | 0 | 0 | 0 | 0 | 107.6 | I20 | T18-I20 VanDerWaalsContact C-N 3.33Å; T18-I20 PolarHBondContact O-N 3.49Å | ||
| 19 | D | 32.2 | Very low | 37.2 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | trans | -70.8 | 107.9 | 151.9 | -87.3 | -18.4 | 0 | 0 | 0 | 104.4 | E17 M21 | E17-D19 PolarHBondContact O-N 3.47Å; D19-M21 PolarHBondContact O-N 3.4Å | ||
| 20 | I | 34.5 | Very low | 38.7 | Very low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -57.2 | 78.7 | 164.3 | -61.4 | 159.5 | 0 | 0 | 0 | 105.2 | T18 E22 | T18-I20 VanDerWaalsContact C-N 3.33Å; T18-I20 PolarHBondContact O-N 3.49Å; I20-E22 PolarHBondContact O-N 3.47Å | ||
| 21 | M | 34.1 | Very low | 41 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 85% | 0.847 | 69% | 0.689 | S | S | * | * | trans | -67.3 | 110.7 | 157.4 | -88.3 | -177.2 | 46.4 | 0 | 0 | 104.7 | D19 E23 | D19-M21 PolarHBondContact O-N 3.4Å; M21-E23 PolarHBondContact O-N 3Å | ||
| 22 | E | 32.4 | Very low | 43.1 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -42.3 | 116.1 | -178.9 | -66.8 | 166.9 | 147.1 | 0 | 0 | 111 | I20 D24 | I20-E22 PolarHBondContact O-N 3.47Å; E22-D24 PolarHBondContact O-N 2.94Å | ||
| 23 | E | 36.5 | Very low | 45.6 | Very low | 184 Ų | 184 | 116 Ų | 116 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 2.1 | 169.4 | -84.9 | 178.7 | 149.9 | 0 | 0 | 113.4 | M21 | M21-E23 PolarHBondContact O-N 3Š|
| 24 | D | 38.8 | Very low | 48.4 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 79% | 0.786 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -14.7 | -175.6 | -100.5 | -21.6 | 0 | 0 | 0 | 114.1 | E22 | E22-D24 PolarHBondContact O-N 2.94Š|
| 25 | D | 45 | Very low | 50.9 | Low | 126 Ų | 126 | 113.6 Ų | 113.6 | 67% | 0.674 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -89.4 | -20.6 | -176.1 | -95.4 | -12.4 | 0 | 0 | 0 | 114.6 | N27 A28 | D25-N27 PolarHBondContact O-N 3.11Å; D25-N27 VanDerWaalsContact O-N 3.12Å; D25-A28 PolarHBondContact O-N 2.87Å |
| 26 | D | 48.1 | Very low | 53.4 | Low | 152 Ų | 152 | 110.4 Ų | 110.4 | 81% | 0.813 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -16.9 | -176.4 | -85.8 | -14.8 | 0 | 0 | 0 | 113.6 | ||
| 27 | N | 46.5 | Very low | 56 | Low | 71 Ų | 71 | 106.3 Ų | 106.3 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | -1.4 | -177.9 | -68.6 | -44.2 | 0 | 0 | 0 | 113.9 | D25 I29 F93 | D25-N27 PolarHBondContact O-N 3.11Å; D25-N27 VanDerWaalsContact O-N 3.12Å; N27-I29 PolarHBondContact O-N 3.23Å; N27-F93 HydrophobicContact CB-CD2 4.25Å; N27-F93 HydrophobicContact CB-CE2 4.2Å; N27-F93 WeakPolarHBondContact O-CD2 3.29Å; N27-F93 WeakPolarHBondContact O-CE2 3.22Å |
| 28 | A | 54.1 | Low | 58.7 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | trans | -62.2 | 118.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D25 G30 | D25-A28 PolarHBondContact O-N 2.87Å; A28-G30 PolarHBondContact O-N 3.29Å | ||
| 29 | I | 59.6 | Low | 61.3 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 28% | 0.277 | 52% | 0.515 | S | S | . | . | trans | -56.5 | 109 | 165.3 | -68.7 | 171 | 0 | 0 | 0 | 106.6 | N27 D33 Y34 F90 F93 | N27-I29 PolarHBondContact O-N 3.23Å; I29-D33 HydrophobicContact CG2-CB 4.3Å; I29-Y34 HydrophobicContact CG2-CD2 4.14Å; I29-Y34 HydrophobicContact CG2-CE2 3.52Å; I29-F90 HydrophobicContact CD1-CD1 3.86Å; I29-F90 HydrophobicContact CD1-CE1 4.19Å; I29-F90 HydrophobicContact CG1-CD1 4.33Å; I29-F90 HydrophobicContact CG2-CD1 4.18Å; I29-F90 HydrophobicContact CG2-CE1 3.57Å; I29-F93 HydrophobicContact CD1-CB 4.35Å; I29-F93 HydrophobicContact CD1-CD1 3.56Å; I29-F93 HydrophobicContact CD1-CD2 4.34Å; I29-F93 HydrophobicContact CD1-CE1 3.88Å; I29-F93 HydrophobicContact CD1-CG 3.79Å; I29-F93 HydrophobicContact CD1-CZ 4.4Å; I29-F93 HydrophobicContact CG1-CB 4.15Å; I29-F93 HydrophobicContact CG1-CD1 4Å; I29-F93 HydrophobicContact CG1-CD2 3.85Å; I29-F93 HydrophobicContact CG1-CE1 4.37Å; I29-F93 HydrophobicContact CG1-CE2 4.26Å; I29-F93 HydrophobicContact CG1-CG 3.7Å; I29-F93 HydrophobicContact CG1-CZ 4.49Å | ||
| 30 | G | 68.3 | Low | 64.1 | Low | 22 Ų | 22 | 93.5 Ų | 93.5 | 23% | 0.227 | 48% | 0.483 | C | S | . | . | trans | -73.3 | 156 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A28 D32 D33 | A28-G30 PolarHBondContact O-N 3.29Å; G30-D32 PolarHBondContact O-N 3.41Å; G30-D32 VanDerWaalsContact O-N 3.13Å; G30-D33 PolarHBondContact N-OD2 2.79Å; G30-D33 PolarHBondContact O-N 3.36Å; G30-D33 VanDerWaalsContact O-N 3.12Å | ||
| 31 | I | 76.1 | Confident | 66.8 | Low | 140 Ų | 140 | 91.8 Ų | 91.8 | 72% | 0.718 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -52.4 | -31.7 | 163.6 | -68.8 | 172 | 0 | 0 | 0 | 109.9 | D33 Y34 V35 | I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 PolarHBondContact O-N 2.97Å; I31-Y34 PolarHBondContact O-N 3.44Å; I31-V35 HydrophobicContact CG2-CG2 4.15Å; I31-V35 WeakPolarHBondContact O-CG2 3.21Å; I31-V35 PolarHBondContact O-N 3.14Å |
| 32 | D | 78.2 | Confident | 69.4 | Low | 92 Ų | 92 | 85.6 Ų | 85.6 | 49% | 0.492 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 178.8 | -59.3 | -36.5 | 0 | 0 | 0 | 113.8 | G30 V35 V36 | G30-D32 PolarHBondContact O-N 3.41Å; G30-D32 VanDerWaalsContact O-N 3.13Å; D32-V35 PolarHBondContact O-N 3.14Å; D32-V36 WeakPolarHBondContact O-CB 3.27Å; D32-V36 VanDerWaalsContact O-CG2 3.28Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.27Å |
| 33 | D | 83.1 | Confident | 72.1 | Confident | 19 Ų | 19 | 78.2 Ų | 78.2 | 10% | 0.102 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 178.6 | -67.9 | -51.2 | 0 | 0 | 0 | 111.8 | I29 G30 I31 V36 L37 R89 F90 | I29-D33 HydrophobicContact CG2-CB 4.3Å; G30-D33 PolarHBondContact N-OD2 2.79Å; G30-D33 PolarHBondContact O-N 3.36Å; G30-D33 VanDerWaalsContact O-N 3.12Å; I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 PolarHBondContact O-N 2.97Å; D33-V36 PolarHBondContact O-N 3.32Å; D33-L37 WeakPolarHBondContact O-CB 3.19Å; D33-L37 PolarHBondContact O-N 3.11Å; D33-R89 WeakPolarHBondContact OD1-CD 3.33Å; D33-R89 IonicContact OD1-CZ 2.68Å; D33-R89 IonicContact OD1-NE 2.64Å; D33-R89 PolarHBondContact OD1-NE 2.96Å; D33-R89 IonicContact OD1-NH1 2.71Å; D33-R89 PolarHBondContact OD1-NH1 3.25Å; D33-R89 IonicContact OD1-NH2 3.69Å; D33-F90 HydrophobicContact CB-CE1 4.32Å; D33-F90 HydrophobicContact CB-CZ 4.07Å |
| 34 | Y | 86.5 | Confident | 74.8 | Confident | 139 Ų | 139 | 71.1 Ų | 71.1 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 173.5 | -70.9 | -79.4 | 0 | 0 | 0 | 111.7 | I29 I31 V36 L37 F38 F90 | I29-Y34 HydrophobicContact CG2-CD2 4.14Å; I29-Y34 HydrophobicContact CG2-CE2 3.52Å; I31-Y34 PolarHBondContact O-N 3.44Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; Y34-L37 PolarHBondContact O-N 3.4Å; Y34-F38 VanDerWaalsContact O-CB 3.31Å; Y34-F38 WeakPolarHBondContact O-CB 3.31Å; Y34-F38 PolarHBondContact O-N 3.47Å; Y34-F90 HydrophobicContact CD1-CZ 4.24Å; Y34-F90 HydrophobicContact CE1-CE1 4.34Å; Y34-F90 HydrophobicContact CE1-CZ 4.16Å; Y34-F90 HydrophobicContact CE2-CE1 4.4Å |
| 35 | V | 84.5 | Confident | 77.3 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 39% | 0.394 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | I31 D32 F38 Y39 | I31-V35 HydrophobicContact CG2-CG2 4.15Å; I31-V35 WeakPolarHBondContact O-CG2 3.21Å; I31-V35 PolarHBondContact O-N 3.14Å; D32-V35 PolarHBondContact O-N 3.14Å; V35-F38 PolarHBondContact O-N 2.94Å; V35-Y39 WeakPolarHBondContact O-CB 3.39Å; V35-Y39 PolarHBondContact O-N 3.31Å |
| 36 | V | 85.4 | Confident | 79.5 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | D32 D33 Y34 F38 Y39 G40 F82 A86 R89 | D32-V36 WeakPolarHBondContact O-CB 3.27Å; D32-V36 VanDerWaalsContact O-CG2 3.28Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.27Å; D33-V36 PolarHBondContact O-N 3.32Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 3.1Å; V36-Y39 WeakPolarHBondContact O-CB 3.41Å; V36-Y39 PolarHBondContact O-N 3.36Å; V36-G40 PolarHBondContact O-N 3.41Å; V36-F82 HydrophobicContact CG1-CB 3.94Å; V36-F82 HydrophobicContact CG1-CD1 3.45Å; V36-F82 VanDerWaalsContact CG1-CD1 3.45Å; V36-F82 HydrophobicContact CG1-CE1 4.35Å; V36-F82 HydrophobicContact CG1-CG 4.09Å; V36-A86 HydrophobicContact CG1-CB 4.36Å; V36-R89 VanDerWaalsContact CG1-NH2 3.32Å |
| 37 | L | 89.1 | Confident | 81.6 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.1 | -177.9 | 65.9 | 0 | 0 | 0 | 111.4 | D33 Y34 Y39 G40 W41 I83 A86 F90 | D33-L37 WeakPolarHBondContact O-CB 3.19Å; D33-L37 PolarHBondContact O-N 3.11Å; Y34-L37 PolarHBondContact O-N 3.4Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-G40 PolarHBondContact O-N 3.34Å; L37-W41 VanDerWaalsContact O-CD1 3.28Å; L37-W41 PolarHBondContact O-N 3.38Å; L37-I83 HydrophobicContact CD1-CB 4.49Å; L37-I83 HydrophobicContact CD1-CG1 4.31Å; L37-I83 HydrophobicContact CD1-CG2 4.2Å; L37-A86 HydrophobicContact CB-CB 3.83Å; L37-A86 HydrophobicContact CD1-CB 4.05Å; L37-F90 HydrophobicContact CD2-CE2 4.06Å |
| 38 | F | 89.2 | Confident | 83.9 | Confident | 135 Ų | 135 | 55.3 Ų | 55.3 | 59% | 0.592 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 179.1 | -173.8 | -112.2 | 0 | 0 | 0 | 111.8 | Y34 V35 V36 G40 W41 I42 | Y34-F38 VanDerWaalsContact O-CB 3.31Å; Y34-F38 WeakPolarHBondContact O-CB 3.31Å; Y34-F38 PolarHBondContact O-N 3.47Å; V35-F38 PolarHBondContact O-N 2.94Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 3.1Å; F38-G40 VanDerWaalsContact C-N 3.31Å; F38-G40 PolarHBondContact O-N 3.47Å; F38-W41 PolarHBondContact O-N 3.07Å; F38-I42 HydrophobicContact CD1-CD1 3.67Å; F38-I42 HydrophobicContact CD1-CG1 4.38Å; F38-I42 HydrophobicContact CE1-CD1 3.18Å; F38-I42 HydrophobicContact CE1-CG1 4.07Å; F38-I42 HydrophobicContact CZ-CD1 3.67Å; F38-I42 HydrophobicContact CZ-CG1 4.2Å; F38-I42 PolarHBondContact O-N 3.37Å |
| 39 | Y | 85.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 172.2 | 175.7 | -147.5 | 0 | 0 | 0 | 111.3 | V35 V36 L37 W41 I42 A43 F82 D285 I286 M289 | V35-Y39 WeakPolarHBondContact O-CB 3.39Å; V35-Y39 PolarHBondContact O-N 3.31Å; V36-Y39 WeakPolarHBondContact O-CB 3.41Å; V36-Y39 PolarHBondContact O-N 3.36Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-W41 PolarHBondContact O-N 3.23Å; Y39-I42 PolarHBondContact O-N 3.3Å; Y39-I42 VanDerWaalsContact O-N 3.1Å; Y39-A43 HydrophobicContact CE2-CB 4.31Å; Y39-A43 WeakPolarHBondContact O-CB 3.04Å; Y39-A43 PolarHBondContact O-N 3.48Å; Y39-F82 HydrophobicContact CD1-CD1 4.23Å; Y39-F82 AromaticContact CD1-CD2 3.46Å; Y39-F82 HydrophobicContact CD1-CD2 3.46Å; Y39-F82 VanDerWaalsContact CD1-CD2 3.46Å; Y39-F82 HydrophobicContact CD1-CE1 4.24Å; Y39-F82 AromaticContact CD1-CE2 3.5Å; Y39-F82 HydrophobicContact CD1-CE2 3.5Å; Y39-F82 VanDerWaalsContact CD1-CE2 3.5Å; Y39-F82 AromaticContact CD1-CG 3.87Å; Y39-F82 HydrophobicContact CD1-CG 3.87Å; Y39-F82 AromaticContact CD1-CZ 3.89Å; Y39-F82 HydrophobicContact CD1-CZ 3.89Å; Y39-F82 AromaticContact CE1-CD2 3.44Å; Y39-F82 HydrophobicContact CE1-CD2 3.44Å; Y39-F82 VanDerWaalsContact CE1-CD2 3.44Å; Y39-F82 HydrophobicContact CE1-CE1 4.31Å; Y39-F82 AromaticContact CE1-CE2 3.02Å; Y39-F82 HydrophobicContact CE1-CE2 3.02Å; Y39-F82 HydrophobicContact CE1-CG 4.27Å; Y39-F82 AromaticContact CE1-CZ 3.53Å; Y39-F82 HydrophobicContact CE1-CZ 3.53Å; Y39-F82 HydrophobicContact CG-CD2 4.45Å; Y39-F82 AromaticContact CZ-CE2 3.98Å; Y39-D285 VanDerWaalsContact OH-CG 3.23Å; Y39-D285 PolarHBondContact OH-OD2 3.37Å; Y39-I286 HydrophobicContact CD1-CG1 4.35Å; Y39-I286 HydrophobicContact CD2-CB 4.09Å; Y39-I286 HydrophobicContact CD2-CD1 4.16Å; Y39-I286 HydrophobicContact CD2-CG1 3.14Å; Y39-I286 HydrophobicContact CE2-CB 4.17Å; Y39-I286 HydrophobicContact CE2-CG1 3.5Å; Y39-I286 HydrophobicContact CG-CD1 4.17Å; Y39-I286 HydrophobicContact CG-CG1 3.6Å; Y39-M289 HydrophobicContact CE2-SD 3.85Å; Y39-M289 WeakPolarHBondContact OH-CE 3.2Å; Y39-M289 PolarHBondContact OH-SD 3Å; Y39-M289 VanDerWaalsContact OH-SD 3.32Å |
| 40 | G | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V36 L37 F38 L44 G79 | V36-G40 PolarHBondContact O-N 3.41Å; L37-G40 PolarHBondContact O-N 3.34Å; F38-G40 VanDerWaalsContact C-N 3.31Å; F38-G40 PolarHBondContact O-N 3.47Å; G40-L44 WeakPolarHBondContact O-CB 3.21Å; G40-L44 PolarHBondContact O-N 3.41Å; G40-G79 WeakPolarHBondContact CA-O 3.3Å; G40-G79 WeakPolarHBondContact O-CA 3.05Å |
| 41 | W | 92 | Very high | 88.5 | Confident | 123 Ų | 123 | 55 Ų | 55 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 176.5 | -75.7 | 109.9 | 0 | 0 | 0 | 114.2 | L37 F38 Y39 A43 L44 I45 I83 | L37-W41 VanDerWaalsContact O-CD1 3.28Å; L37-W41 PolarHBondContact O-N 3.38Å; F38-W41 PolarHBondContact O-N 3.07Å; Y39-W41 PolarHBondContact O-N 3.23Å; W41-A43 VanDerWaalsContact C-N 3.29Å; W41-A43 PolarHBondContact O-N 2.87Å; W41-L44 HydrophobicContact CE3-CD2 4.13Å; W41-L44 HydrophobicContact CZ3-CD2 4.01Å; W41-L44 PolarHBondContact O-N 3.09Å; W41-I45 HydrophobicContact CE3-CD1 3.68Å; W41-I45 HydrophobicContact CE3-CG1 3.86Å; W41-I45 HydrophobicContact CZ3-CD1 4.32Å; W41-I45 HydrophobicContact CZ3-CG1 4.38Å; W41-I45 WeakPolarHBondContact O-CG1 3.18Å; W41-I45 PolarHBondContact O-N 2.82Å; W41-I83 HydrophobicContact CD2-CD1 4.15Å; W41-I83 HydrophobicContact CE3-CD1 4.5Å; W41-I83 HydrophobicContact CG-CD1 4.45Å; W41-I83 HydrophobicContact CZ2-CD1 4.5Å |
| 42 | I | 88.6 | Confident | 89.4 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 175.8 | -74.1 | -179.9 | 0 | 0 | 0 | 111.3 | F38 Y39 P46 I286 A290 | F38-I42 HydrophobicContact CD1-CD1 3.67Å; F38-I42 HydrophobicContact CD1-CG1 4.38Å; F38-I42 HydrophobicContact CE1-CD1 3.18Å; F38-I42 HydrophobicContact CE1-CG1 4.07Å; F38-I42 HydrophobicContact CZ-CD1 3.67Å; F38-I42 HydrophobicContact CZ-CG1 4.2Å; F38-I42 PolarHBondContact O-N 3.37Å; Y39-I42 PolarHBondContact O-N 3.3Å; Y39-I42 VanDerWaalsContact O-N 3.1Å; I42-P46 WeakPolarHBondContact O-CD 3.08Å; I42-P46 VanDerWaalsContact O-CG 3.27Å; I42-P46 WeakPolarHBondContact O-CG 3.26Å; I42-I286 HydrophobicContact CD1-CG2 4.29Å; I42-I286 HydrophobicContact CG2-CG2 4.27Å; I42-A290 HydrophobicContact CG2-CB 3.96Å |
| 43 | A | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.9 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y39 W41 N47 M289 | Y39-A43 HydrophobicContact CE2-CB 4.31Å; Y39-A43 WeakPolarHBondContact O-CB 3.04Å; Y39-A43 PolarHBondContact O-N 3.48Å; W41-A43 VanDerWaalsContact C-N 3.29Å; W41-A43 PolarHBondContact O-N 2.87Å; A43-N47 VanDerWaalsContact O-CB 3.29Å; A43-N47 WeakPolarHBondContact O-CB 3.5Å; A43-N47 PolarHBondContact O-ND2 2.78Å; A43-M289 HydrophobicContact CB-SD 3.59Å; A43-M289 VanDerWaalsContact CB-SD 3.59Å |
| 44 | L | 92.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -52.5 | -172.7 | -173.6 | 67.4 | 0 | 0 | 0 | 113.5 | G40 W41 S48 I76 I83 | G40-L44 WeakPolarHBondContact O-CB 3.21Å; G40-L44 PolarHBondContact O-N 3.41Å; W41-L44 HydrophobicContact CE3-CD2 4.13Å; W41-L44 HydrophobicContact CZ3-CD2 4.01Å; W41-L44 PolarHBondContact O-N 3.09Å; L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 3.49Å; L44-S48 PolarHBondContact O-OG 3.48Å; L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG2 3.75Å; L44-I83 HydrophobicContact CD2-CD1 3.89Å |
| 45 | I | 92.2 | Very high | 90.9 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 41% | 0.41 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.4 | -57.3 | -166.7 | -65 | 170.9 | 0 | 0 | 0 | 112.7 | W41 N47 S48 F49 | W41-I45 HydrophobicContact CE3-CD1 3.68Å; W41-I45 HydrophobicContact CE3-CG1 3.86Å; W41-I45 HydrophobicContact CZ3-CD1 4.32Å; W41-I45 HydrophobicContact CZ3-CG1 4.38Å; W41-I45 WeakPolarHBondContact O-CG1 3.18Å; W41-I45 PolarHBondContact O-N 2.82Å; I45-N47 PolarHBondContact O-N 3.36Å; I45-S48 WeakPolarHBondContact O-CB 3.43Å; I45-S48 PolarHBondContact O-N 2.69Å; I45-F49 HydrophobicContact CG2-CD2 3.87Å; I45-F49 HydrophobicContact CG2-CE2 3.59Å; I45-F49 WeakPolarHBondContact O-CD2 3.47Å; I45-F49 PolarHBondContact O-N 3.23Å; I45-F49 VanDerWaalsContact O-N 3.11Å |
| 46 | P | 90.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 48 Ų | 48 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -39.8 | -176.9 | -18.5 | 34.1 | 0 | 0 | 0 | 112 | I42 S48 F49 L50 V293 | I42-P46 WeakPolarHBondContact O-CD 3.08Å; I42-P46 VanDerWaalsContact O-CG 3.27Å; I42-P46 WeakPolarHBondContact O-CG 3.26Å; P46-S48 VanDerWaalsContact C-N 3.34Å; P46-F49 PolarHBondContact O-N 3.49Å; P46-L50 PolarHBondContact O-N 3Å; P46-V293 HydrophobicContact CB-CB 4.2Å; P46-V293 HydrophobicContact CB-CG1 4.03Å; P46-V293 HydrophobicContact CB-CG2 4.14Å |
| 47 | N | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -34.9 | 178 | -70.4 | -79.6 | 0 | 0 | 0 | 111.5 | A43 I45 L50 L51 A72 N75 I76 V293 | A43-N47 VanDerWaalsContact O-CB 3.29Å; A43-N47 WeakPolarHBondContact O-CB 3.5Å; A43-N47 PolarHBondContact O-ND2 2.78Å; I45-N47 PolarHBondContact O-N 3.36Å; N47-L50 PolarHBondContact O-N 3.33Å; N47-L51 VanDerWaalsContact O-CB 3.31Å; N47-L51 WeakPolarHBondContact O-CB 3.3Å; N47-L51 PolarHBondContact O-N 2.94Å; N47-A72 HydrophobicContact CB-CB 4.33Å; N47-N75 HydrophobicContact CB-CB 4.11Å; N47-N75 VanDerWaalsContact CG-CB 3.47Å; N47-N75 WeakPolarHBondContact ND2-CB 3.48Å; N47-N75 PolarHBondContact OD1-ND2 3.45Å; N47-N75 VanDerWaalsContact OD1-ND2 3.08Å; N47-I76 HydrophobicContact CB-CD1 4.37Å; N47-I76 HydrophobicContact CB-CG1 3.81Å; N47-V293 VanDerWaalsContact OD1-CG2 3.31Å; N47-V293 WeakPolarHBondContact OD1-CG2 3.21Å |
| 48 | S | 94.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 32% | 0.315 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -44.6 | 171.8 | -66 | 0 | 0 | 0 | 0 | 112.1 | L44 I45 P46 L51 Y52 | L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 3.49Å; L44-S48 PolarHBondContact O-OG 3.48Å; I45-S48 WeakPolarHBondContact O-CB 3.43Å; I45-S48 PolarHBondContact O-N 2.69Å; P46-S48 VanDerWaalsContact C-N 3.34Å; S48-L51 PolarHBondContact O-N 3.05Å; S48-Y52 VanDerWaalsContact O-CB 3.28Å; S48-Y52 WeakPolarHBondContact O-CB 3.35Å; S48-Y52 PolarHBondContact O-N 2.74Å |
| 49 | F | 92.5 | Very high | 91.5 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 46% | 0.456 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.2 | -77.3 | -69.5 | 0 | 0 | 0 | 112.4 | I45 P46 Y52 V53 F307 | I45-F49 HydrophobicContact CG2-CD2 3.87Å; I45-F49 HydrophobicContact CG2-CE2 3.59Å; I45-F49 WeakPolarHBondContact O-CD2 3.47Å; I45-F49 PolarHBondContact O-N 3.23Å; I45-F49 VanDerWaalsContact O-N 3.11Å; P46-F49 PolarHBondContact O-N 3.49Å; F49-Y52 PolarHBondContact O-N 2.89Å; F49-V53 WeakPolarHBondContact O-CG2 3.21Å; F49-V53 PolarHBondContact O-N 3.09Å; F49-F307 HydrophobicContact CB-CE1 3.86Å |
| 50 | L | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.5 | 178.5 | 61.2 | 0 | 0 | 0 | 111.2 | P46 N47 Y52 V53 I54 V68 A72 F292 V293 F296 L303 F307 | P46-L50 PolarHBondContact O-N 3Å; N47-L50 PolarHBondContact O-N 3.33Å; L50-Y52 VanDerWaalsContact C-N 3.34Å; L50-Y52 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 3.05Å; L50-I54 HydrophobicContact CD1-CD1 4.07Å; L50-I54 HydrophobicContact CD1-CG1 4.44Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.96Å; L50-V68 HydrophobicContact CD2-CG1 4.19Å; L50-A72 HydrophobicContact CD2-CB 4.23Å; L50-F292 HydrophobicContact CD2-CD1 4.29Å; L50-F292 HydrophobicContact CD2-CE1 3.88Å; L50-V293 HydrophobicContact CB-CG1 4.06Å; L50-V293 HydrophobicContact CB-CG2 4.45Å; L50-V293 HydrophobicContact CD2-CB 4.46Å; L50-V293 HydrophobicContact CD2-CG1 4.38Å; L50-V293 HydrophobicContact CD2-CG2 3.95Å; L50-F296 HydrophobicContact CD1-CD1 4.46Å; L50-L303 HydrophobicContact CD1-CD1 3.7Å; L50-L303 HydrophobicContact CD1-CD2 4.23Å; L50-F307 HydrophobicContact CB-CZ 4.32Å; L50-F307 HydrophobicContact CD1-CE2 4.2Å; L50-F307 HydrophobicContact CD1-CZ 4.29Å |
| 51 | L | 94.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 179 | -177.1 | 61.7 | 0 | 0 | 0 | 111 | N47 S48 V53 I54 I55 A69 A72 I76 | N47-L51 VanDerWaalsContact O-CB 3.31Å; N47-L51 WeakPolarHBondContact O-CB 3.3Å; N47-L51 PolarHBondContact O-N 2.94Å; S48-L51 PolarHBondContact O-N 3.05Å; L51-V53 VanDerWaalsContact C-N 3.35Å; L51-V53 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 3.2Å; L51-I55 HydrophobicContact CD1-CD1 3.88Å; L51-I55 HydrophobicContact CD1-CG1 4.18Å; L51-I55 HydrophobicContact CD2-CD1 4.42Å; L51-I55 HydrophobicContact CG-CD1 3.77Å; L51-I55 HydrophobicContact CG-CG1 4.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.22Å; L51-I55 PolarHBondContact O-N 3.26Å; L51-A69 HydrophobicContact CD1-CB 3.9Å; L51-A72 HydrophobicContact CB-CB 4.32Å; L51-I76 HydrophobicContact CB-CD1 4.14Å; L51-I76 HydrophobicContact CD2-CD1 3.62Å |
| 52 | Y | 94.4 | Very high | 91.3 | Very high | 121 Ų | 121 | 56.6 Ų | 56.6 | 48% | 0.475 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.7 | 175 | -98.2 | 0 | 0 | 0 | 112.2 | S48 F49 L50 I54 I55 R56 I310 | S48-Y52 VanDerWaalsContact O-CB 3.28Å; S48-Y52 WeakPolarHBondContact O-CB 3.35Å; S48-Y52 PolarHBondContact O-N 2.74Å; F49-Y52 PolarHBondContact O-N 2.89Å; L50-Y52 VanDerWaalsContact C-N 3.34Å; L50-Y52 PolarHBondContact O-N 3.33Å; Y52-I54 PolarHBondContact O-N 2.74Å; Y52-I55 PolarHBondContact O-N 3.04Å; Y52-R56 WeakPolarHBondContact O-CB 3.34Å; Y52-R56 PolarHBondContact O-N 2.96Å; Y52-I310 HydrophobicContact CD1-CD1 3.59Å; Y52-I310 HydrophobicContact CD1-CG1 4.47Å; Y52-I310 HydrophobicContact CE1-CD1 3.63Å; Y52-I310 HydrophobicContact CE1-CG1 4.03Å |
| 53 | V | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | F49 L50 L51 N57 L303 F307 I310 | F49-V53 WeakPolarHBondContact O-CG2 3.21Å; F49-V53 PolarHBondContact O-N 3.09Å; L50-V53 PolarHBondContact O-N 3.05Å; L51-V53 VanDerWaalsContact C-N 3.35Å; L51-V53 PolarHBondContact O-N 3.4Å; V53-N57 WeakPolarHBondContact O-CB 3.16Å; V53-N57 PolarHBondContact O-N 2.94Å; V53-N57 VanDerWaalsContact O-N 3.09Å; V53-L303 HydrophobicContact CG1-CD2 3.7Å; V53-F307 HydrophobicContact CG2-CD1 4.14Å; V53-F307 HydrophobicContact CG2-CD2 4.24Å; V53-F307 HydrophobicContact CG2-CE1 4.19Å; V53-F307 HydrophobicContact CG2-CE2 4.25Å; V53-F307 HydrophobicContact CG2-CG 4.17Å; V53-F307 HydrophobicContact CG2-CZ 4.23Å; V53-I310 HydrophobicContact CG2-CD1 3.43Å; V53-I310 VanDerWaalsContact CG2-CD1 3.43Å |
| 54 | I | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 179.5 | -69.9 | 166.9 | 0 | 0 | 0 | 110.6 | L50 L51 Y52 K58 L59 Q60 Y65 V68 A69 L303 | L50-I54 HydrophobicContact CD1-CD1 4.07Å; L50-I54 HydrophobicContact CD1-CG1 4.44Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.96Å; L51-I54 PolarHBondContact O-N 3.2Å; Y52-I54 PolarHBondContact O-N 2.74Å; I54-K58 PolarHBondContact O-N 3.01Å; I54-L59 HydrophobicContact CG2-CB 4.24Å; I54-L59 PolarHBondContact O-N 3.47Å; I54-Q60 HydrophobicContact CG2-CB 4.36Å; I54-Q60 PolarHBondContact O-OE1 3.4Å; I54-Y65 HydrophobicContact CG1-CD1 4.47Å; I54-V68 HydrophobicContact CD1-CG1 3.85Å; I54-A69 HydrophobicContact CD1-CB 4.38Å; I54-A69 HydrophobicContact CG2-CB 4.04Å; I54-L303 HydrophobicContact CG1-CD2 3.77Å |
| 55 | I | 94.2 | Very high | 91.2 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -49.8 | -178.4 | -67.4 | 172 | 0 | 0 | 0 | 110.6 | L51 Y52 N57 K58 | L51-I55 HydrophobicContact CD1-CD1 3.88Å; L51-I55 HydrophobicContact CD1-CG1 4.18Å; L51-I55 HydrophobicContact CD2-CD1 4.42Å; L51-I55 HydrophobicContact CG-CD1 3.77Å; L51-I55 HydrophobicContact CG-CG1 4.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.22Å; L51-I55 PolarHBondContact O-N 3.26Å; Y52-I55 PolarHBondContact O-N 3.04Å; I55-N57 VanDerWaalsContact C-N 3.3Å; I55-N57 PolarHBondContact O-N 2.93Å; I55-K58 PolarHBondContact O-N 2.71Å |
| 56 | R | 91.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | -177.5 | -179.6 | 178.9 | 177.7 | -166.6 | -5.4 | 112 | Y52 K58 | Y52-R56 WeakPolarHBondContact O-CB 3.34Å; Y52-R56 PolarHBondContact O-N 2.96Å; R56-K58 PolarHBondContact O-N 3.17Å |
| 57 | N | 90.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.4 | -179.9 | -68.8 | -21.2 | 0 | 0 | 0 | 113 | V53 I55 L59 G306 | V53-N57 WeakPolarHBondContact O-CB 3.16Å; V53-N57 PolarHBondContact O-N 2.94Å; V53-N57 VanDerWaalsContact O-N 3.09Å; I55-N57 VanDerWaalsContact C-N 3.3Å; I55-N57 PolarHBondContact O-N 2.93Å; N57-L59 HydrophobicContact CB-CD1 4.07Å; N57-L59 HydrophobicContact CB-CD2 4.09Å; N57-L59 HydrophobicContact CB-CG 3.68Å; N57-L59 PolarHBondContact O-N 2.76Å; N57-G306 WeakPolarHBondContact ND2-CA 3.5Å |
| 58 | K | 90.3 | Very high | 91.3 | Very high | 134 Ų | 134 | 52.1 Ų | 52.1 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 32.1 | -179.2 | -58.5 | -176.9 | 180 | -179.8 | 0 | 113 | I54 I55 R56 Q60 | I54-K58 PolarHBondContact O-N 3.01Å; I55-K58 PolarHBondContact O-N 2.71Å; R56-K58 PolarHBondContact O-N 3.17Å; K58-Q60 VanDerWaalsContact C-N 3.27Å; K58-Q60 VanDerWaalsContact CA-OE1 3.23Å; K58-Q60 PolarHBondContact O-N 3.47Å |
| 59 | L | 88.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -73.2 | -21.3 | -174.9 | -59.9 | -179.1 | 0 | 0 | 0 | 112.3 | I54 N57 K61 K62 Y65 E302 L303 | I54-L59 HydrophobicContact CG2-CB 4.24Å; I54-L59 PolarHBondContact O-N 3.47Å; N57-L59 HydrophobicContact CB-CD1 4.07Å; N57-L59 HydrophobicContact CB-CD2 4.09Å; N57-L59 HydrophobicContact CB-CG 3.68Å; N57-L59 PolarHBondContact O-N 2.76Å; L59-K61 PolarHBondContact O-N 2.92Å; L59-K62 PolarHBondContact O-N 2.84Å; L59-Y65 HydrophobicContact CB-CD1 4.12Å; L59-Y65 HydrophobicContact CB-CD2 4.14Å; L59-Y65 HydrophobicContact CB-CG 3.86Å; L59-Y65 HydrophobicContact CD1-CD1 4.29Å; L59-Y65 HydrophobicContact CD1-CE1 4.09Å; L59-Y65 VanDerWaalsContact O-CB 3.29Å; L59-Y65 WeakPolarHBondContact O-CB 3.25Å; L59-E302 HydrophobicContact CD1-CB 4.18Å; L59-E302 HydrophobicContact CD2-CB 4.42Å; L59-E302 WeakPolarHBondContact CD2-OE2 3.34Å; L59-L303 HydrophobicContact CD1-CD2 3.72Å; L59-L303 HydrophobicContact CD1-CG 4.49Å |
| 60 | Q | 86.3 | Confident | 91.3 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -58.3 | -11.1 | 176.8 | 70.9 | -79.1 | 0.7 | 0 | 0 | 114.5 | I54 K58 K62 | I54-Q60 HydrophobicContact CG2-CB 4.36Å; I54-Q60 PolarHBondContact O-OE1 3.4Å; K58-Q60 VanDerWaalsContact C-N 3.27Å; K58-Q60 VanDerWaalsContact CA-OE1 3.23Å; K58-Q60 PolarHBondContact O-N 3.47Å; Q60-K62 PolarHBondContact O-N 3.48Å |
| 61 | K | 87.8 | Confident | 91.3 | Very high | 148 Ų | 148 | 47 Ų | 47 | 64% | 0.643 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -66.1 | -17.8 | 171.8 | -67 | -174.6 | 175.7 | -170.6 | 0 | 113.1 | L59 | L59-K61 PolarHBondContact O-N 2.92Š|
| 62 | K | 89.6 | Confident | 91.2 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.7 | 134.9 | 174 | -66 | 172.9 | -178 | 173.9 | 0 | 109.1 | L59 Q60 S64 Y65 L66 E302 | L59-K62 PolarHBondContact O-N 2.84Å; Q60-K62 PolarHBondContact O-N 3.48Å; K62-S64 PolarHBondContact O-N 3.43Å; K62-Y65 HydrophobicContact CB-CD2 3.87Å; K62-Y65 HydrophobicContact CD-CD2 3.75Å; K62-Y65 HydrophobicContact CD-CE2 3.82Å; K62-Y65 HydrophobicContact CG-CD2 4.43Å; K62-Y65 PolarHBondContact O-N 3.05Å; K62-Y65 VanDerWaalsContact O-N 3.07Å; K62-L66 PolarHBondContact O-N 3.26Å; K62-E302 IonicContact NZ-OE1 3.35Å; K62-E302 PolarHBondContact NZ-OE1 3.02Å; K62-E302 IonicContact NZ-OE2 2.99Å; K62-E302 PolarHBondContact NZ-OE2 3.11Å |
| 63 | I | 90.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.3 | -52.5 | -174.5 | -62.8 | 170.8 | 0 | 0 | 0 | 112.2 | Y65 L66 Y67 E132 M146 A151 | I63-Y65 VanDerWaalsContact C-N 3.31Å; I63-Y65 PolarHBondContact O-N 2.91Å; I63-L66 WeakPolarHBondContact O-CA 3.36Å; I63-L66 VanDerWaalsContact O-CB 3.29Å; I63-L66 WeakPolarHBondContact O-CB 3.34Å; I63-L66 PolarHBondContact O-N 3.19Å; I63-Y67 HydrophobicContact CG2-CD2 3.89Å; I63-Y67 HydrophobicContact CG2-CE2 3.37Å; I63-Y67 PolarHBondContact O-N 3.26Å; I63-E132 HydrophobicContact CG2-CG 4.16Å; I63-M146 HydrophobicContact CD1-CB 4.22Å; I63-M146 WeakPolarHBondContact CD1-O 3.41Å; I63-A151 HydrophobicContact CG1-CB 4.1Å; I63-A151 HydrophobicContact CG2-CB 3.87Å |
| 64 | S | 87 | Confident | 91.3 | Very high | 36 Ų | 36 | 42.3 Ų | 42.3 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -48.5 | -45.5 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | K62 V68 E132 | K62-S64 PolarHBondContact O-N 3.43Å; S64-V68 WeakPolarHBondContact O-CG2 3.48Å; S64-V68 PolarHBondContact O-N 3.04Å; S64-V68 VanDerWaalsContact O-N 3.1Å; S64-E132 PolarHBondContact N-OE1 3.36Å |
| 65 | Y | 90.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.7 | -26.1 | 178.9 | -73.3 | -74 | 0 | 0 | 0 | 112.8 | I54 L59 K62 I63 A69 F296 N300 L303 | I54-Y65 HydrophobicContact CG1-CD1 4.47Å; L59-Y65 HydrophobicContact CB-CD1 4.12Å; L59-Y65 HydrophobicContact CB-CD2 4.14Å; L59-Y65 HydrophobicContact CB-CG 3.86Å; L59-Y65 HydrophobicContact CD1-CD1 4.29Å; L59-Y65 HydrophobicContact CD1-CE1 4.09Å; L59-Y65 VanDerWaalsContact O-CB 3.29Å; L59-Y65 WeakPolarHBondContact O-CB 3.25Å; K62-Y65 HydrophobicContact CB-CD2 3.87Å; K62-Y65 HydrophobicContact CD-CD2 3.75Å; K62-Y65 HydrophobicContact CD-CE2 3.82Å; K62-Y65 HydrophobicContact CG-CD2 4.43Å; K62-Y65 PolarHBondContact O-N 3.05Å; K62-Y65 VanDerWaalsContact O-N 3.07Å; I63-Y65 VanDerWaalsContact C-N 3.31Å; I63-Y65 PolarHBondContact O-N 2.91Å; Y65-A69 VanDerWaalsContact O-CB 3.26Å; Y65-A69 WeakPolarHBondContact O-CB 3.33Å; Y65-A69 PolarHBondContact O-N 3.24Å; Y65-F296 HydrophobicContact CD1-CE1 4.02Å; Y65-F296 HydrophobicContact CD1-CZ 4.27Å; Y65-F296 AromaticContact CE1-CE1 3.79Å; Y65-F296 HydrophobicContact CE1-CE1 3.79Å; Y65-F296 HydrophobicContact CE1-CZ 4.05Å; Y65-N300 PolarHBondContact OH-OD1 2.95Å; Y65-L303 HydrophobicContact CE1-CD1 4.09Å; Y65-L303 HydrophobicContact CE1-CD2 4.14Å; Y65-L303 HydrophobicContact CE1-CG 3.91Å |
| 66 | L | 94.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -48.9 | 171.8 | 179.4 | 69 | 0 | 0 | 0 | 110.6 | K62 I63 V68 A69 A70 L148 A151 L155 | K62-L66 PolarHBondContact O-N 3.26Å; I63-L66 WeakPolarHBondContact O-CA 3.36Å; I63-L66 VanDerWaalsContact O-CB 3.29Å; I63-L66 WeakPolarHBondContact O-CB 3.34Å; I63-L66 PolarHBondContact O-N 3.19Å; L66-V68 PolarHBondContact O-N 3.38Å; L66-A69 WeakPolarHBondContact O-CB 3.18Å; L66-A69 PolarHBondContact O-N 3.13Å; L66-A70 PolarHBondContact O-N 3.48Å; L66-L148 HydrophobicContact CD2-CD1 3.84Å; L66-A151 HydrophobicContact CD2-CB 4.01Å; L66-L155 HydrophobicContact CD1-CD1 4.33Å; L66-L155 HydrophobicContact CD2-CD1 3.82Å; L66-L155 HydrophobicContact CG-CD1 3.83Å |
| 67 | Y | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.6 | -64 | -39 | 0 | 0 | 0 | 112.6 | I63 A69 A70 Y71 I125 L128 I129 E132 A151 L155 | I63-Y67 HydrophobicContact CG2-CD2 3.89Å; I63-Y67 HydrophobicContact CG2-CE2 3.37Å; I63-Y67 PolarHBondContact O-N 3.26Å; Y67-A69 VanDerWaalsContact C-N 3.34Å; Y67-A70 WeakPolarHBondContact O-CB 3.5Å; Y67-A70 PolarHBondContact O-N 2.96Å; Y67-Y71 PolarHBondContact O-N 3.28Å; Y67-I125 WeakPolarHBondContact O-CG2 3.35Å; Y67-L128 HydrophobicContact CD1-CB 4.2Å; Y67-L128 HydrophobicContact CD1-CD1 4.23Å; Y67-L128 HydrophobicContact CE1-CB 3.98Å; Y67-L128 HydrophobicContact CE1-CD1 3.8Å; Y67-L128 HydrophobicContact CE1-CG 4.47Å; Y67-L128 HydrophobicContact CE2-CB 4.33Å; Y67-L128 HydrophobicContact CG-CB 4.49Å; Y67-I129 HydrophobicContact CD2-CG1 4.44Å; Y67-I129 HydrophobicContact CG-CG1 4.35Å; Y67-E132 HydrophobicContact CE2-CB 4.12Å; Y67-E132 HydrophobicContact CE2-CG 4.41Å; Y67-A151 HydrophobicContact CE1-CB 4.26Å; Y67-A151 WeakPolarHBondContact OH-CA 3.45Å; Y67-L155 HydrophobicContact CD1-CD1 4.28Å; Y67-L155 HydrophobicContact CD1-CD2 4.15Å; Y67-L155 HydrophobicContact CD1-CG 4.24Å; Y67-L155 HydrophobicContact CE1-CD1 4.31Å; Y67-L155 HydrophobicContact CE1-CD2 4.31Å; Y67-L155 HydrophobicContact CE1-CG 4.03Å |
| 68 | V | 90.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 174 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L50 I54 S64 L66 A70 Y71 A72 F292 F296 | L50-V68 HydrophobicContact CD2-CG1 4.19Å; I54-V68 HydrophobicContact CD1-CG1 3.85Å; S64-V68 WeakPolarHBondContact O-CG2 3.48Å; S64-V68 PolarHBondContact O-N 3.04Å; S64-V68 VanDerWaalsContact O-N 3.1Å; L66-V68 PolarHBondContact O-N 3.38Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-Y71 PolarHBondContact O-N 3.45Å; V68-A72 WeakPolarHBondContact O-CB 3.26Å; V68-A72 PolarHBondContact O-N 2.79Å; V68-F292 HydrophobicContact CB-CZ 4.46Å; V68-F292 HydrophobicContact CG1-CE1 3.98Å; V68-F292 HydrophobicContact CG1-CZ 3.88Å; V68-F292 HydrophobicContact CG2-CZ 4.21Å; V68-F296 HydrophobicContact CB-CE1 4.12Å; V68-F296 HydrophobicContact CB-CZ 4.19Å; V68-F296 HydrophobicContact CG1-CD1 3.78Å; V68-F296 HydrophobicContact CG1-CE1 3.57Å; V68-F296 HydrophobicContact CG1-CG 4.46Å; V68-F296 HydrophobicContact CG1-CZ 4.1Å; V68-F296 HydrophobicContact CG2-CD1 4.49Å; V68-F296 HydrophobicContact CG2-CD2 4.37Å; V68-F296 HydrophobicContact CG2-CE1 3.86Å; V68-F296 HydrophobicContact CG2-CE2 3.72Å; V68-F296 HydrophobicContact CG2-CZ 3.46Å; V68-F296 VanDerWaalsContact CG2-CZ 3.46Å |
| 69 | A | 93.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L51 I54 Y65 L66 Y67 A72 S73 | L51-A69 HydrophobicContact CD1-CB 3.9Å; I54-A69 HydrophobicContact CD1-CB 4.38Å; I54-A69 HydrophobicContact CG2-CB 4.04Å; Y65-A69 VanDerWaalsContact O-CB 3.26Å; Y65-A69 WeakPolarHBondContact O-CB 3.33Å; Y65-A69 PolarHBondContact O-N 3.24Å; L66-A69 WeakPolarHBondContact O-CB 3.18Å; L66-A69 PolarHBondContact O-N 3.13Å; Y67-A69 VanDerWaalsContact C-N 3.34Å; A69-A72 PolarHBondContact O-N 3.49Å; A69-S73 WeakPolarHBondContact O-CB 3.32Å; A69-S73 PolarHBondContact O-N 3.08Å; A69-S73 PolarHBondContact O-OG 3.24Å |
| 70 | A | 94.7 | Very high | 92 | Very high | 21 Ų | 21 | 33 Ų | 33 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L66 Y67 V68 A72 S73 T74 I125 L155 | L66-A70 PolarHBondContact O-N 3.48Å; Y67-A70 WeakPolarHBondContact O-CB 3.5Å; Y67-A70 PolarHBondContact O-N 2.96Å; V68-A70 VanDerWaalsContact C-N 3.34Å; A70-A72 PolarHBondContact O-N 3.28Å; A70-S73 WeakPolarHBondContact O-CB 3.42Å; A70-S73 PolarHBondContact O-N 3.35Å; A70-T74 PolarHBondContact O-N 3.2Å; A70-T74 PolarHBondContact O-OG1 2.87Å; A70-T74 VanDerWaalsContact O-OG1 3.05Å; A70-I125 HydrophobicContact CB-CD1 3.78Å; A70-I125 HydrophobicContact CB-CG1 4.32Å; A70-I125 HydrophobicContact CB-CG2 4.47Å; A70-L155 HydrophobicContact CB-CD2 4.02Å |
| 71 | Y | 91 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.6 | -168.5 | -110.5 | 0 | 0 | 0 | 112.7 | Y67 V68 S73 T74 N75 I125 P126 N288 F292 | Y67-Y71 PolarHBondContact O-N 3.28Å; V68-Y71 PolarHBondContact O-N 3.45Å; Y71-S73 VanDerWaalsContact C-N 3.33Å; Y71-S73 PolarHBondContact O-N 2.96Å; Y71-T74 WeakPolarHBondContact O-CB 3.47Å; Y71-T74 PolarHBondContact O-N 3.2Å; Y71-N75 VanDerWaalsContact CE1-ND2 3.32Å; Y71-N75 WeakPolarHBondContact CE1-ND2 3.27Å; Y71-N75 PolarHBondContact O-N 2.76Å; Y71-N75 PolarHBondContact O-ND2 2.64Å; Y71-I125 HydrophobicContact CD2-CB 4.3Å; Y71-I125 HydrophobicContact CD2-CG2 4.17Å; Y71-I125 HydrophobicContact CG-CG2 4.42Å; Y71-P126 HydrophobicContact CD2-CG 4.38Å; Y71-P126 HydrophobicContact CE2-CG 4.03Å; Y71-N288 PolarHBondContact OH-ND2 3.08Å; Y71-N288 VanDerWaalsContact OH-ND2 3.07Å; Y71-F292 AromaticContact CD1-CD1 3.83Å; Y71-F292 HydrophobicContact CD1-CD1 3.83Å; Y71-F292 AromaticContact CD1-CD2 3.88Å; Y71-F292 HydrophobicContact CD1-CD2 3.88Å; Y71-F292 AromaticContact CD1-CE1 3.55Å; Y71-F292 HydrophobicContact CD1-CE1 3.55Å; Y71-F292 AromaticContact CD1-CE2 3.62Å; Y71-F292 HydrophobicContact CD1-CE2 3.62Å; Y71-F292 HydrophobicContact CD1-CG 4.01Å; Y71-F292 AromaticContact CD1-CZ 3.45Å; Y71-F292 HydrophobicContact CD1-CZ 3.45Å; Y71-F292 VanDerWaalsContact CD1-CZ 3.45Å; Y71-F292 HydrophobicContact CE1-CB 4.33Å; Y71-F292 AromaticContact CE1-CD1 3.92Å; Y71-F292 HydrophobicContact CE1-CD1 3.92Å; Y71-F292 AromaticContact CE1-CD2 3.58Å; Y71-F292 HydrophobicContact CE1-CD2 3.58Å; Y71-F292 HydrophobicContact CE1-CE1 4.11Å; Y71-F292 AromaticContact CE1-CE2 3.79Å; Y71-F292 HydrophobicContact CE1-CE2 3.79Å; Y71-F292 AromaticContact CE1-CG 3.68Å; Y71-F292 HydrophobicContact CE1-CG 3.68Å; Y71-F292 HydrophobicContact CE1-CZ 4.06Å; Y71-F292 HydrophobicContact CG-CZ 4.32Å |
| 72 | A | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N47 L50 L51 V68 A69 A70 T74 N75 I76 | N47-A72 HydrophobicContact CB-CB 4.33Å; L50-A72 HydrophobicContact CD2-CB 4.23Å; L51-A72 HydrophobicContact CB-CB 4.32Å; V68-A72 WeakPolarHBondContact O-CB 3.26Å; V68-A72 PolarHBondContact O-N 2.79Å; A69-A72 PolarHBondContact O-N 3.49Å; A70-A72 PolarHBondContact O-N 3.28Å; A72-T74 VanDerWaalsContact C-N 3.34Å; A72-N75 PolarHBondContact O-N 3.26Å; A72-I76 WeakPolarHBondContact O-CD1 3.42Å; A72-I76 VanDerWaalsContact O-CG1 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.29Å; A72-I76 PolarHBondContact O-N 2.92Å |
| 73 | S | 95.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 21 Ų | 21 | 36% | 0.357 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | A69 A70 Y71 I76 L77 | A69-S73 WeakPolarHBondContact O-CB 3.32Å; A69-S73 PolarHBondContact O-N 3.08Å; A69-S73 PolarHBondContact O-OG 3.24Å; A70-S73 WeakPolarHBondContact O-CB 3.42Å; A70-S73 PolarHBondContact O-N 3.35Å; Y71-S73 VanDerWaalsContact C-N 3.33Å; Y71-S73 PolarHBondContact O-N 2.96Å; S73-I76 PolarHBondContact O-N 3.26Å; S73-L77 WeakPolarHBondContact O-CB 3.21Å; S73-L77 PolarHBondContact O-N 3.4Å |
| 74 | T | 93.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -53.4 | 172.4 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | A70 Y71 A72 I76 L77 T78 L121 | A70-T74 PolarHBondContact O-N 3.2Å; A70-T74 PolarHBondContact O-OG1 2.87Å; A70-T74 VanDerWaalsContact O-OG1 3.05Å; Y71-T74 WeakPolarHBondContact O-CB 3.47Å; Y71-T74 PolarHBondContact O-N 3.2Å; A72-T74 VanDerWaalsContact C-N 3.34Å; T74-I76 VanDerWaalsContact C-N 3.28Å; T74-I76 PolarHBondContact O-N 2.8Å; T74-L77 CarbonylContact O-C 3.59Å; T74-L77 WeakPolarHBondContact O-CA 3.48Å; T74-L77 WeakPolarHBondContact O-CB 3.26Å; T74-L77 PolarHBondContact O-N 2.71Å; T74-T78 WeakPolarHBondContact O-CB 3.47Å; T74-T78 PolarHBondContact O-N 3.49Å; T74-T78 PolarHBondContact O-OG1 3.48Å; T74-L121 HydrophobicContact CG2-CB 3.44Å; T74-L121 VanDerWaalsContact CG2-CB 3.44Å; T74-L121 HydrophobicContact CG2-CD1 4.32Å; T74-L121 WeakPolarHBondContact OG1-CB 2.9Å |
| 75 | N | 92 | Very high | 93 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | -179.6 | -63.1 | -17.6 | 0 | 0 | 0 | 112.9 | N47 Y71 A72 G79 M289 | N47-N75 HydrophobicContact CB-CB 4.11Å; N47-N75 VanDerWaalsContact CG-CB 3.47Å; N47-N75 WeakPolarHBondContact ND2-CB 3.48Å; N47-N75 PolarHBondContact OD1-ND2 3.45Å; N47-N75 VanDerWaalsContact OD1-ND2 3.08Å; Y71-N75 VanDerWaalsContact CE1-ND2 3.32Å; Y71-N75 WeakPolarHBondContact CE1-ND2 3.27Å; Y71-N75 PolarHBondContact O-N 2.76Å; Y71-N75 PolarHBondContact O-ND2 2.64Å; A72-N75 PolarHBondContact O-N 3.26Å; N75-G79 PolarHBondContact O-N 3.35Å; N75-M289 HydrophobicContact CB-SD 3.95Å; N75-M289 WeakPolarHBondContact OD1-CE 3.33Å |
| 76 | I | 94.7 | Very high | 93 | Very high | 34 Ų | 34 | 19.5 Ų | 19.5 | 17% | 0.174 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 172.4 | -74.5 | 164.8 | 0 | 0 | 0 | 110.5 | L44 N47 L51 A72 S73 T74 G79 F80 | L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG2 3.75Å; N47-I76 HydrophobicContact CB-CD1 4.37Å; N47-I76 HydrophobicContact CB-CG1 3.81Å; L51-I76 HydrophobicContact CB-CD1 4.14Å; L51-I76 HydrophobicContact CD2-CD1 3.62Å; A72-I76 WeakPolarHBondContact O-CD1 3.42Å; A72-I76 VanDerWaalsContact O-CG1 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.29Å; A72-I76 PolarHBondContact O-N 2.92Å; S73-I76 PolarHBondContact O-N 3.26Å; T74-I76 VanDerWaalsContact C-N 3.28Å; T74-I76 PolarHBondContact O-N 2.8Å; I76-G79 PolarHBondContact O-N 3.21Å; I76-F80 WeakPolarHBondContact O-CB 3.19Å; I76-F80 PolarHBondContact O-N 2.94Å |
| 77 | L | 95.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 21.2 Ų | 21.2 | 31% | 0.314 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | -179 | -175.2 | 62.5 | 0 | 0 | 0 | 111.5 | S73 T74 F80 A81 I114 | S73-L77 WeakPolarHBondContact O-CB 3.21Å; S73-L77 PolarHBondContact O-N 3.4Å; T74-L77 CarbonylContact O-C 3.59Å; T74-L77 WeakPolarHBondContact O-CA 3.48Å; T74-L77 WeakPolarHBondContact O-CB 3.26Å; T74-L77 PolarHBondContact O-N 2.71Å; L77-F80 WeakPolarHBondContact O-CB 3.44Å; L77-F80 PolarHBondContact O-N 3.41Å; L77-A81 PolarHBondContact O-N 2.83Å; L77-I114 HydrophobicContact CD1-CD1 4.43Å; L77-I114 HydrophobicContact CD1-CG2 3.58Å; L77-I114 HydrophobicContact CD2-CG2 3.99Å; L77-I114 HydrophobicContact CG-CG2 3.44Å; L77-I114 VanDerWaalsContact CG-CG2 3.44Å |
| 78 | T | 92.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 172.1 | -54.9 | 0 | 0 | 0 | 0 | 111 | T74 F80 A81 F82 C118 M289 | T74-T78 WeakPolarHBondContact O-CB 3.47Å; T74-T78 PolarHBondContact O-N 3.49Å; T74-T78 PolarHBondContact O-OG1 3.48Å; T78-F80 VanDerWaalsContact C-N 3.31Å; T78-F80 PolarHBondContact O-N 3.38Å; T78-A81 WeakPolarHBondContact O-CB 3.15Å; T78-A81 PolarHBondContact O-N 3.5Å; T78-A81 VanDerWaalsContact O-N 3.16Å; T78-F82 HydrophobicContact CG2-CD2 3.71Å; T78-F82 HydrophobicContact CG2-CE2 3.35Å; T78-F82 HydrophobicContact CG2-CZ 4.49Å; T78-F82 WeakPolarHBondContact O-CD2 3.31Å; T78-F82 PolarHBondContact O-N 2.87Å; T78-C118 VanDerWaalsContact OG1-CB 3.32Å; T78-C118 WeakPolarHBondContact OG1-CB 3.2Å; T78-C118 PolarHBondContact OG1-SG 2.85Å; T78-C118 VanDerWaalsContact OG1-SG 3.37Å; T78-M289 HydrophobicContact CG2-CE 3.92Å |
| 79 | G | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G40 N75 I76 F82 I83 | G40-G79 WeakPolarHBondContact CA-O 3.3Å; G40-G79 WeakPolarHBondContact O-CA 3.05Å; N75-G79 PolarHBondContact O-N 3.35Å; I76-G79 PolarHBondContact O-N 3.21Å; G79-F82 PolarHBondContact O-N 2.99Å; G79-I83 WeakPolarHBondContact O-CG1 3.34Å; G79-I83 PolarHBondContact O-N 3.34Å |
| 80 | F | 95.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 28 Ų | 28 | 40% | 0.395 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 172.9 | 175.9 | -104.2 | 0 | 0 | 0 | 112.2 | I76 L77 T78 F82 I83 C84 F110 I114 | I76-F80 WeakPolarHBondContact O-CB 3.19Å; I76-F80 PolarHBondContact O-N 2.94Å; L77-F80 WeakPolarHBondContact O-CB 3.44Å; L77-F80 PolarHBondContact O-N 3.41Å; T78-F80 VanDerWaalsContact C-N 3.31Å; T78-F80 PolarHBondContact O-N 3.38Å; F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.49Å; F80-I83 PolarHBondContact O-N 3.42Å; F80-C84 VanDerWaalsContact CZ-SG 3.54Å; F80-C84 PolarHBondContact O-N 2.98Å; F80-C84 PolarHBondContact O-SG 3.2Å; F80-F110 HydrophobicContact CE1-CE2 4.04Å; F80-F110 HydrophobicContact CE1-CZ 4.45Å; F80-F110 HydrophobicContact CZ-CE2 4.5Å; F80-I114 HydrophobicContact CD1-CD1 4.17Å; F80-I114 HydrophobicContact CE1-CD1 4.08Å |
| 81 | A | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L77 T78 C84 S85 I114 Y115 | L77-A81 PolarHBondContact O-N 2.83Å; T78-A81 WeakPolarHBondContact O-CB 3.15Å; T78-A81 PolarHBondContact O-N 3.5Å; T78-A81 VanDerWaalsContact O-N 3.16Å; A81-C84 PolarHBondContact O-N 2.89Å; A81-S85 WeakPolarHBondContact O-CB 3.14Å; A81-S85 PolarHBondContact O-N 2.93Å; A81-I114 HydrophobicContact CB-CB 4.15Å; A81-I114 HydrophobicContact CB-CG2 3.79Å; A81-Y115 HydrophobicContact CB-CD1 3.74Å; A81-Y115 HydrophobicContact CB-CE1 3.45Å; A81-Y115 VanDerWaalsContact CB-CE1 3.45Å; A81-Y115 HydrophobicContact CB-CG 4.47Å; A81-Y115 PolarHBondContact O-OH 3.06Å |
| 82 | F | 91.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 174.7 | -77.5 | -60.2 | 0 | 0 | 0 | 113.8 | V36 Y39 T78 G79 F80 S85 A86 Y115 Y282 | V36-F82 HydrophobicContact CG1-CB 3.94Å; V36-F82 HydrophobicContact CG1-CD1 3.45Å; V36-F82 VanDerWaalsContact CG1-CD1 3.45Å; V36-F82 HydrophobicContact CG1-CE1 4.35Å; V36-F82 HydrophobicContact CG1-CG 4.09Å; Y39-F82 HydrophobicContact CD1-CD1 4.23Å; Y39-F82 AromaticContact CD1-CD2 3.46Å; Y39-F82 HydrophobicContact CD1-CD2 3.46Å; Y39-F82 VanDerWaalsContact CD1-CD2 3.46Å; Y39-F82 HydrophobicContact CD1-CE1 4.24Å; Y39-F82 AromaticContact CD1-CE2 3.5Å; Y39-F82 HydrophobicContact CD1-CE2 3.5Å; Y39-F82 VanDerWaalsContact CD1-CE2 3.5Å; Y39-F82 AromaticContact CD1-CG 3.87Å; Y39-F82 HydrophobicContact CD1-CG 3.87Å; Y39-F82 AromaticContact CD1-CZ 3.89Å; Y39-F82 HydrophobicContact CD1-CZ 3.89Å; Y39-F82 AromaticContact CE1-CD2 3.44Å; Y39-F82 HydrophobicContact CE1-CD2 3.44Å; Y39-F82 VanDerWaalsContact CE1-CD2 3.44Å; Y39-F82 HydrophobicContact CE1-CE1 4.31Å; Y39-F82 AromaticContact CE1-CE2 3.02Å; Y39-F82 HydrophobicContact CE1-CE2 3.02Å; Y39-F82 HydrophobicContact CE1-CG 4.27Å; Y39-F82 AromaticContact CE1-CZ 3.53Å; Y39-F82 HydrophobicContact CE1-CZ 3.53Å; Y39-F82 HydrophobicContact CG-CD2 4.45Å; Y39-F82 AromaticContact CZ-CE2 3.98Å; T78-F82 HydrophobicContact CG2-CD2 3.71Å; T78-F82 HydrophobicContact CG2-CE2 3.35Å; T78-F82 HydrophobicContact CG2-CZ 4.49Å; T78-F82 WeakPolarHBondContact O-CD2 3.31Å; T78-F82 PolarHBondContact O-N 2.87Å; G79-F82 PolarHBondContact O-N 2.99Å; F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.49Å; F82-S85 PolarHBondContact O-N 3.09Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.18Å; F82-Y115 VanDerWaalsContact CA-OH 3.3Å; F82-Y115 WeakPolarHBondContact CA-OH 3.09Å; F82-Y115 AromaticContact CD1-CE1 3.86Å; F82-Y115 HydrophobicContact CD1-CE1 3.86Å; F82-Y115 AromaticContact CD1-CZ 3.79Å; F82-Y115 WeakPolarHBondContact CD1-OH 3.29Å; F82-Y115 HydrophobicContact CD2-CE1 4.19Å; F82-Y115 AromaticContact CE1-CE1 3.78Å; F82-Y115 HydrophobicContact CE1-CE1 3.78Å; F82-Y115 AromaticContact CE1-CZ 3.87Å; F82-Y115 WeakPolarHBondContact CE1-OH 3.5Å; F82-Y115 HydrophobicContact CE2-CE1 4.05Å; F82-Y115 HydrophobicContact CG-CE1 4.08Å; F82-Y115 AromaticContact CZ-CE1 3.87Å; F82-Y115 HydrophobicContact CZ-CE1 3.87Å; F82-Y115 PolarHBondContact N-OH 2.98Å; F82-Y282 HydrophobicContact CE1-CE1 4.3Å; F82-Y282 HydrophobicContact CZ-CE1 4.24Å |
| 83 | I | 94.1 | Very high | 91.7 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 174.3 | -66.8 | 165.3 | 0 | 0 | 0 | 110.1 | L37 W41 L44 G79 F80 S85 A86 V87 | L37-I83 HydrophobicContact CD1-CB 4.49Å; L37-I83 HydrophobicContact CD1-CG1 4.31Å; L37-I83 HydrophobicContact CD1-CG2 4.2Å; W41-I83 HydrophobicContact CD2-CD1 4.15Å; W41-I83 HydrophobicContact CE3-CD1 4.5Å; W41-I83 HydrophobicContact CG-CD1 4.45Å; W41-I83 HydrophobicContact CZ2-CD1 4.5Å; L44-I83 HydrophobicContact CD2-CD1 3.89Å; G79-I83 WeakPolarHBondContact O-CG1 3.34Å; G79-I83 PolarHBondContact O-N 3.34Å; F80-I83 PolarHBondContact O-N 3.42Å; I83-S85 PolarHBondContact O-N 3Å; I83-A86 PolarHBondContact O-N 3.29Å; I83-V87 HydrophobicContact CG2-CG2 4.27Å; I83-V87 WeakPolarHBondContact O-CB 3.42Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.39Å |
| 84 | C | 93.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 40 Ų | 40 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 178 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | F80 A81 V87 R88 F110 Y111 | F80-C84 VanDerWaalsContact CZ-SG 3.54Å; F80-C84 PolarHBondContact O-N 2.98Å; F80-C84 PolarHBondContact O-SG 3.2Å; A81-C84 PolarHBondContact O-N 2.89Å; C84-V87 PolarHBondContact O-N 2.81Å; C84-R88 PolarHBondContact O-N 2.95Å; C84-F110 HydrophobicContact CB-CZ 4.47Å; C84-Y111 HydrophobicContact CB-CD1 3.96Å; C84-Y111 HydrophobicContact CB-CG 4.25Å |
| 85 | S | 90.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | A81 F82 I83 R88 R89 Y115 | A81-S85 WeakPolarHBondContact O-CB 3.14Å; A81-S85 PolarHBondContact O-N 2.93Å; F82-S85 PolarHBondContact O-N 3.09Å; I83-S85 PolarHBondContact O-N 3Å; S85-R88 PolarHBondContact O-N 3.03Å; S85-R89 PolarHBondContact O-N 3.48Å; S85-R89 VanDerWaalsContact O-N 3.08Å; S85-R89 PolarHBondContact OG-NH2 2.95Å; S85-Y115 VanDerWaalsContact CB-OH 3.24Å; S85-Y115 WeakPolarHBondContact CB-OH 3.28Å |
| 86 | A | 90.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V36 L37 F82 I83 R88 R89 F90 | V36-A86 HydrophobicContact CG1-CB 4.36Å; L37-A86 HydrophobicContact CB-CB 3.83Å; L37-A86 HydrophobicContact CD1-CB 4.05Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.18Å; I83-A86 PolarHBondContact O-N 3.29Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.4Å; A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.14Å; A86-F90 HydrophobicContact CB-CD2 4.47Å; A86-F90 HydrophobicContact CB-CE2 4.14Å; A86-F90 WeakPolarHBondContact O-CD2 3.18Å; A86-F90 PolarHBondContact O-N 3.27Å |
| 87 | V | 91.2 | Very high | 90.1 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | I83 C84 F90 I91 | I83-V87 HydrophobicContact CG2-CG2 4.27Å; I83-V87 WeakPolarHBondContact O-CB 3.42Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.39Å; C84-V87 PolarHBondContact O-N 2.81Å; V87-F90 PolarHBondContact O-N 2.91Å; V87-I91 HydrophobicContact CG1-CD1 3.84Å; V87-I91 VanDerWaalsContact O-CG1 3.3Å; V87-I91 WeakPolarHBondContact O-CG1 3.21Å; V87-I91 PolarHBondContact O-N 3.31Å |
| 88 | R | 90.3 | Very high | 89.8 | Confident | 32 Ų | 32 | 54 Ų | 54 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.9 | -174.8 | -175.4 | 174.6 | 103.1 | 0.8 | 111.3 | C84 S85 A86 F90 I91 L92 Q108 Y111 G184 | C84-R88 PolarHBondContact O-N 2.95Å; S85-R88 PolarHBondContact O-N 3.03Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.4Å; R88-F90 PolarHBondContact O-N 3.27Å; R88-I91 PolarHBondContact O-N 2.92Å; R88-I91 VanDerWaalsContact O-N 3.14Å; R88-L92 HydrophobicContact CG-CD1 3.85Å; R88-L92 HydrophobicContact CG-CG 4.17Å; R88-L92 WeakPolarHBondContact O-CG 3.36Å; R88-L92 PolarHBondContact O-N 3.38Å; R88-Q108 VanDerWaalsContact NH1-CB 3.31Å; R88-Q108 PolarHBondContact NH1-O 3.39Å; R88-Q108 VanDerWaalsContact NH1-O 3.11Å; R88-Y111 HydrophobicContact CB-CE1 4.05Å; R88-Y111 VanDerWaalsContact CD-OH 3.24Å; R88-Y111 WeakPolarHBondContact CD-OH 3.31Å; R88-Y111 HydrophobicContact CG-CE1 4.48Å; R88-G184 PolarHBondContact NH2-O 2.66Å |
| 89 | R | 88.6 | Confident | 89.7 | Confident | 77 Ų | 77 | 60 Ų | 60 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.8 | -74.2 | -176.8 | -77.1 | -178.4 | 1.3 | 112.3 | D33 V36 S85 A86 I91 L92 F93 | D33-R89 WeakPolarHBondContact OD1-CD 3.33Å; D33-R89 IonicContact OD1-CZ 2.68Å; D33-R89 IonicContact OD1-NE 2.64Å; D33-R89 PolarHBondContact OD1-NE 2.96Å; D33-R89 IonicContact OD1-NH1 2.71Å; D33-R89 PolarHBondContact OD1-NH1 3.25Å; D33-R89 IonicContact OD1-NH2 3.69Å; V36-R89 VanDerWaalsContact CG1-NH2 3.32Å; S85-R89 PolarHBondContact O-N 3.48Å; S85-R89 VanDerWaalsContact O-N 3.08Å; S85-R89 PolarHBondContact OG-NH2 2.95Å; A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.14Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 PolarHBondContact O-N 2.81Å; R89-L92 PolarHBondContact O-N 2.78Å; R89-F93 PolarHBondContact O-N 3.43Å |
| 90 | F | 90 | Very high | 89.5 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 173.2 | -70.7 | -58.7 | 0 | 0 | 0 | 113.7 | I29 D33 Y34 L37 A86 V87 R88 | I29-F90 HydrophobicContact CD1-CD1 3.86Å; I29-F90 HydrophobicContact CD1-CE1 4.19Å; I29-F90 HydrophobicContact CG1-CD1 4.33Å; I29-F90 HydrophobicContact CG2-CD1 4.18Å; I29-F90 HydrophobicContact CG2-CE1 3.57Å; D33-F90 HydrophobicContact CB-CE1 4.32Å; D33-F90 HydrophobicContact CB-CZ 4.07Å; Y34-F90 HydrophobicContact CD1-CZ 4.24Å; Y34-F90 HydrophobicContact CE1-CE1 4.34Å; Y34-F90 HydrophobicContact CE1-CZ 4.16Å; Y34-F90 HydrophobicContact CE2-CE1 4.4Å; L37-F90 HydrophobicContact CD2-CE2 4.06Å; A86-F90 HydrophobicContact CB-CD2 4.47Å; A86-F90 HydrophobicContact CB-CE2 4.14Å; A86-F90 WeakPolarHBondContact O-CD2 3.18Å; A86-F90 PolarHBondContact O-N 3.27Å; V87-F90 PolarHBondContact O-N 2.91Å; R88-F90 PolarHBondContact O-N 3.27Å |
| 91 | I | 89.5 | Confident | 89.2 | Confident | 105 Ų | 105 | 58 Ų | 58 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.7 | -46.2 | 176.2 | -69 | 165.6 | 0 | 0 | 0 | 110.5 | V87 R88 R89 F93 S94 | V87-I91 HydrophobicContact CG1-CD1 3.84Å; V87-I91 VanDerWaalsContact O-CG1 3.3Å; V87-I91 WeakPolarHBondContact O-CG1 3.21Å; V87-I91 PolarHBondContact O-N 3.31Å; R88-I91 PolarHBondContact O-N 2.92Å; R88-I91 VanDerWaalsContact O-N 3.14Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 PolarHBondContact O-N 2.81Å; I91-F93 PolarHBondContact O-N 3.06Å; I91-S94 PolarHBondContact O-N 3.08Å; I91-S94 VanDerWaalsContact O-N 3.08Å |
| 92 | L | 88.4 | Confident | 89 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -27.2 | -178.2 | -70.2 | 177.1 | 0 | 0 | 0 | 112.6 | R88 R89 S94 V95 F98 G184 | R88-L92 HydrophobicContact CG-CD1 3.85Å; R88-L92 HydrophobicContact CG-CG 4.17Å; R88-L92 WeakPolarHBondContact O-CG 3.36Å; R88-L92 PolarHBondContact O-N 3.38Å; R89-L92 PolarHBondContact O-N 2.78Å; L92-S94 PolarHBondContact O-N 2.83Å; L92-S94 VanDerWaalsContact O-N 3.13Å; L92-V95 PolarHBondContact O-N 3.41Å; L92-V95 VanDerWaalsContact O-O 3.04Å; L92-F98 HydrophobicContact CD2-CE1 3.56Å; L92-F98 HydrophobicContact CD2-CZ 3.74Å; L92-G184 WeakPolarHBondContact CD1-O 2.74Å |
| 93 | F | 83.3 | Confident | 88.8 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.4 | 170.8 | 174.5 | -110.4 | 0 | 0 | 0 | 113.7 | N27 I29 R89 I91 | N27-F93 HydrophobicContact CB-CD2 4.25Å; N27-F93 HydrophobicContact CB-CE2 4.2Å; N27-F93 WeakPolarHBondContact O-CD2 3.29Å; N27-F93 WeakPolarHBondContact O-CE2 3.22Å; I29-F93 HydrophobicContact CD1-CB 4.35Å; I29-F93 HydrophobicContact CD1-CD1 3.56Å; I29-F93 HydrophobicContact CD1-CD2 4.34Å; I29-F93 HydrophobicContact CD1-CE1 3.88Å; I29-F93 HydrophobicContact CD1-CG 3.79Å; I29-F93 HydrophobicContact CD1-CZ 4.4Å; I29-F93 HydrophobicContact CG1-CB 4.15Å; I29-F93 HydrophobicContact CG1-CD1 4Å; I29-F93 HydrophobicContact CG1-CD2 3.85Å; I29-F93 HydrophobicContact CG1-CE1 4.37Å; I29-F93 HydrophobicContact CG1-CE2 4.26Å; I29-F93 HydrophobicContact CG1-CG 3.7Å; I29-F93 HydrophobicContact CG1-CZ 4.49Å; R89-F93 PolarHBondContact O-N 3.43Å; I91-F93 PolarHBondContact O-N 3.06Å |
| 94 | S | 84.4 | Confident | 88.6 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.1 | -178.2 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | I91 L92 | I91-S94 PolarHBondContact O-N 3.08Å; I91-S94 VanDerWaalsContact O-N 3.08Å; L92-S94 PolarHBondContact O-N 2.83Å; L92-S94 VanDerWaalsContact O-N 3.13Å |
| 95 | V | 86 | Confident | 88.5 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 44% | 0.436 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -124.3 | 141.3 | -174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | L92 F98 | L92-V95 PolarHBondContact O-N 3.41Å; L92-V95 VanDerWaalsContact O-O 3.04Å; V95-F98 HydrophobicContact CG1-CD1 4.21Å; V95-F98 HydrophobicContact CG1-CE1 4.17Å |
| 96 | D | 85.5 | Confident | 88.4 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | trans | -56.2 | 141.4 | 175.4 | -62.7 | -41.7 | 0 | 0 | 0 | 110.8 | F98 | D96-F98 WeakPolarHBondContact O-CD1 3.39Å; D96-F98 PolarHBondContact O-N 3.11Å | ||
| 97 | P | 86.1 | Confident | 88.4 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | trans | -53.2 | 130.2 | 175.6 | -26.2 | 34.3 | 0 | 0 | 0 | 111.4 | ||||
| 98 | F | 88.9 | Confident | 88.4 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | trans | -136.6 | 161.2 | 177.2 | 65 | -90.1 | 0 | 0 | 0 | 110.5 | L92 V95 D96 L100 G184 | L92-F98 HydrophobicContact CD2-CE1 3.56Å; L92-F98 HydrophobicContact CD2-CZ 3.74Å; V95-F98 HydrophobicContact CG1-CD1 4.21Å; V95-F98 HydrophobicContact CG1-CE1 4.17Å; D96-F98 WeakPolarHBondContact O-CD1 3.39Å; D96-F98 PolarHBondContact O-N 3.11Å; F98-L100 HydrophobicContact CD2-CD2 4.03Å; F98-L100 HydrophobicContact CD2-CG 3.95Å; F98-L100 HydrophobicContact CE2-CD1 3.81Å; F98-L100 HydrophobicContact CE2-CD2 3.76Å; F98-L100 HydrophobicContact CE2-CG 3.61Å; F98-G184 WeakPolarHBondContact O-CA 3.37Å; F98-G184 PolarHBondContact O-N 2.91Å | ||
| 99 | E | 89.5 | Confident | 88.4 | Confident | 137 Ų | 137 | 66 Ų | 66 | 64% | 0.64 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 147.2 | -178.8 | -61.1 | -179.1 | 148.7 | 0 | 0 | 110.9 | V181 I182 | E99-V181 HydrophobicContact CB-CB 4.18Å; E99-I182 CarbonylContact C-O 3.5Å; E99-I182 WeakPolarHBondContact CA-O 3.47Å |
| 100 | L | 89.5 | Confident | 88.6 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.6 | 176.6 | -69.2 | 179.3 | 0 | 0 | 0 | 109.9 | F98 Q104 I182 | F98-L100 HydrophobicContact CD2-CD2 4.03Å; F98-L100 HydrophobicContact CD2-CG 3.95Å; F98-L100 HydrophobicContact CE2-CD1 3.81Å; F98-L100 HydrophobicContact CE2-CD2 3.76Å; F98-L100 HydrophobicContact CE2-CG 3.61Å; L100-Q104 HydrophobicContact CB-CB 4.33Å; L100-Q104 HydrophobicContact CD2-CB 4.22Å; L100-I182 PolarHBondContact N-O 3.25Å; L100-I182 WeakPolarHBondContact O-CG1 3.24Å; L100-I182 PolarHBondContact O-N 2.99Å |
| 101 | T | 89.2 | Confident | 88.6 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | trans | -74.3 | 154.1 | 163.3 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | S103 Q104 C105 | T101-S103 PolarHBondContact O-N 3.34Å; T101-S103 VanDerWaalsContact O-N 3.17Å; T101-S103 PolarHBondContact OG1-OG 3.47Å; T101-Q104 WeakPolarHBondContact O-CB 3.47Å; T101-Q104 PolarHBondContact O-N 3.31Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-Q104 VanDerWaalsContact OG1-CG 3.29Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.29Å; T101-Q104 PolarHBondContact OG1-N 3.38Å; T101-Q104 PolarHBondContact OG1-OE1 3.32Å; T101-C105 WeakPolarHBondContact O-CB 3.24Å; T101-C105 PolarHBondContact O-N 3.03Å | ||
| 102 | P | 88.9 | Confident | 88.7 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.2 | -35.9 | 178.4 | -28.8 | 33.7 | 0 | 0 | 0 | 114.4 | C105 L106 L173 L176 F180 | P102-C105 WeakPolarHBondContact O-CB 3.47Å; P102-C105 PolarHBondContact O-N 3.25Å; P102-L106 PolarHBondContact O-N 2.87Å; P102-L173 HydrophobicContact CB-CD2 3.88Å; P102-L176 HydrophobicContact CB-CD1 4.11Å; P102-L176 HydrophobicContact CG-CD1 3.73Å; P102-F180 VanDerWaalsContact CD-O 3.3Å; P102-F180 WeakPolarHBondContact CD-O 3.5Å; P102-F180 HydrophobicContact CG-CD1 3.59Å; P102-F180 HydrophobicContact CG-CE1 4Å |
| 103 | S | 87.4 | Confident | 88.8 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 177.5 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | T101 C105 L106 V107 | T101-S103 PolarHBondContact O-N 3.34Å; T101-S103 VanDerWaalsContact O-N 3.17Å; T101-S103 PolarHBondContact OG1-OG 3.47Å; S103-C105 PolarHBondContact O-N 3.15Å; S103-L106 PolarHBondContact O-N 2.9Å; S103-V107 VanDerWaalsContact O-CG2 3.31Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 3.15Å |
| 104 | Q | 90.5 | Very high | 89.3 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 173.1 | -71.2 | 173 | -16.6 | 0 | 0 | 110.9 | L100 T101 V107 Q108 | L100-Q104 HydrophobicContact CB-CB 4.33Å; L100-Q104 HydrophobicContact CD2-CB 4.22Å; T101-Q104 WeakPolarHBondContact O-CB 3.47Å; T101-Q104 PolarHBondContact O-N 3.31Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-Q104 VanDerWaalsContact OG1-CG 3.29Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.29Å; T101-Q104 PolarHBondContact OG1-N 3.38Å; T101-Q104 PolarHBondContact OG1-OE1 3.32Å; Q104-V107 PolarHBondContact O-N 3.23Å; Q104-Q108 WeakPolarHBondContact O-CB 3.23Å; Q104-Q108 VanDerWaalsContact O-CG 3.26Å; Q104-Q108 WeakPolarHBondContact O-CG 3.31Å; Q104-Q108 PolarHBondContact O-N 2.84Å |
| 105 | C | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -52.5 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | T101 P102 S103 V107 Q108 A109 I182 C186 | T101-C105 WeakPolarHBondContact O-CB 3.24Å; T101-C105 PolarHBondContact O-N 3.03Å; P102-C105 WeakPolarHBondContact O-CB 3.47Å; P102-C105 PolarHBondContact O-N 3.25Å; S103-C105 PolarHBondContact O-N 3.15Å; C105-V107 VanDerWaalsContact C-N 3.31Å; C105-V107 PolarHBondContact O-N 3.49Å; C105-Q108 PolarHBondContact O-N 3.39Å; C105-A109 WeakPolarHBondContact O-CA 3.39Å; C105-A109 VanDerWaalsContact O-CB 3.22Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.49Å; C105-I182 HydrophobicContact CB-CD1 3.82Å; C105-C186 WeakPolarHBondContact CA-SG 3.49Å; C105-C186 HydrophobicContact CB-CB 4.38Å; C105-C186 WeakPolarHBondContact CB-SG 3.47Å; C105-C186 WeakPolarHBondContact SG-CA 3.4Å; C105-C186 WeakPolarHBondContact SG-CB 3.4Å; C105-C186 CovalentContact SG-SG 2.02Å; C105-C186 PolarHBondContact SG-SG 3.44Å |
| 106 | L | 88.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 177.2 | -76.4 | -168.5 | 0 | 0 | 0 | 113.4 | P102 S103 A109 F110 L112 W170 L173 Y191 | P102-L106 PolarHBondContact O-N 2.87Å; S103-L106 PolarHBondContact O-N 2.9Å; L106-A109 CarbonylContact O-C 3.58Å; L106-F110 PolarHBondContact O-N 3Å; L106-L112 HydrophobicContact CD2-CB 3.89Å; L106-L112 HydrophobicContact CD2-CD1 3.93Å; L106-W170 HydrophobicContact CB-CH2 3.81Å; L106-W170 HydrophobicContact CB-CZ2 3.78Å; L106-W170 HydrophobicContact CB-CZ3 4.43Å; L106-W170 HydrophobicContact CD1-CD2 4.06Å; L106-W170 HydrophobicContact CD1-CE3 4.44Å; L106-W170 HydrophobicContact CD1-CG 4.45Å; L106-W170 HydrophobicContact CD1-CZ2 4.16Å; L106-L173 HydrophobicContact CD1-CD1 3.55Å; L106-L173 HydrophobicContact CD1-CD2 4.38Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CG-CD1 4.19Å; L106-Y191 HydrophobicContact CD2-CD2 3.75Å; L106-Y191 HydrophobicContact CD2-CE2 3.99Å; L106-Y191 HydrophobicContact CD2-CG 4.09Å; L106-Y191 HydrophobicContact CG-CD2 4.32Å |
| 107 | V | 91.1 | Very high | 90.2 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.2 | -48.4 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | S103 Q104 C105 W170 | S103-V107 VanDerWaalsContact O-CG2 3.31Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 3.15Å; Q104-V107 PolarHBondContact O-N 3.23Å; C105-V107 VanDerWaalsContact C-N 3.31Å; C105-V107 PolarHBondContact O-N 3.49Å; V107-W170 HydrophobicContact CG2-CH2 3.72Å; V107-W170 HydrophobicContact CG2-CZ3 4.28Å |
| 108 | Q | 90.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -76.2 | -37.2 | -176.7 | -63.9 | 179.8 | 24.4 | 0 | 0 | 112.2 | R88 Q104 C105 F110 | R88-Q108 VanDerWaalsContact NH1-CB 3.31Å; R88-Q108 PolarHBondContact NH1-O 3.39Å; R88-Q108 VanDerWaalsContact NH1-O 3.11Å; Q104-Q108 WeakPolarHBondContact O-CB 3.23Å; Q104-Q108 VanDerWaalsContact O-CG 3.26Å; Q104-Q108 WeakPolarHBondContact O-CG 3.31Å; Q104-Q108 PolarHBondContact O-N 2.84Å; C105-Q108 PolarHBondContact O-N 3.39Å; Q108-F110 VanDerWaalsContact C-N 3.35Å; Q108-F110 PolarHBondContact O-N 3.13Å |
| 109 | A | 90.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 56.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | C105 L106 Y111 L112 C186 | C105-A109 WeakPolarHBondContact O-CA 3.39Å; C105-A109 VanDerWaalsContact O-CB 3.22Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.49Å; L106-A109 CarbonylContact O-C 3.58Å; A109-Y111 HydrophobicContact CB-CD1 4.42Å; A109-Y111 HydrophobicContact CB-CE1 3.77Å; A109-Y111 HydrophobicContact CB-CE2 4.29Å; A109-Y111 PolarHBondContact O-N 2.81Å; A109-L112 HydrophobicContact CB-CD1 3.75Å; A109-L112 HydrophobicContact CB-CG 3.97Å; A109-L112 VanDerWaalsContact O-CB 3.29Å; A109-L112 WeakPolarHBondContact O-CB 3.4Å; A109-L112 WeakPolarHBondContact O-CG 3.46Å; A109-L112 PolarHBondContact O-N 3.47Å; A109-C186 HydrophobicContact CB-CB 3.9Å |
| 110 | F | 91.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 45% | 0.447 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24 | -177.2 | 72.2 | -90.4 | 0 | 0 | 0 | 113.9 | F80 C84 L106 Q108 L112 S113 I114 | F80-F110 HydrophobicContact CE1-CE2 4.04Å; F80-F110 HydrophobicContact CE1-CZ 4.45Å; F80-F110 HydrophobicContact CZ-CE2 4.5Å; C84-F110 HydrophobicContact CB-CZ 4.47Å; L106-F110 PolarHBondContact O-N 3Å; Q108-F110 VanDerWaalsContact C-N 3.35Å; Q108-F110 PolarHBondContact O-N 3.13Å; F110-L112 PolarHBondContact O-N 2.92Å; F110-S113 PolarHBondContact O-N 3.38Å; F110-I114 HydrophobicContact CD2-CD1 3.79Å; F110-I114 HydrophobicContact CE2-CD1 3.76Å; F110-I114 PolarHBondContact O-N 3.01Å |
| 111 | Y | 91.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -22.4 | 174.6 | 61.8 | -104.3 | 0 | 0 | 0 | 112.7 | C84 R88 A109 I114 Y115 | C84-Y111 HydrophobicContact CB-CD1 3.96Å; C84-Y111 HydrophobicContact CB-CG 4.25Å; R88-Y111 HydrophobicContact CB-CE1 4.05Å; R88-Y111 VanDerWaalsContact CD-OH 3.24Å; R88-Y111 WeakPolarHBondContact CD-OH 3.31Å; R88-Y111 HydrophobicContact CG-CE1 4.48Å; A109-Y111 HydrophobicContact CB-CD1 4.42Å; A109-Y111 HydrophobicContact CB-CE1 3.77Å; A109-Y111 HydrophobicContact CB-CE2 4.29Å; A109-Y111 PolarHBondContact O-N 2.81Å; Y111-I114 CarbonylContact O-C 3.52Å; Y111-I114 WeakPolarHBondContact O-CA 3.38Å; Y111-I114 WeakPolarHBondContact O-CB 3.39Å; Y111-I114 PolarHBondContact O-N 3.25Å; Y111-I114 VanDerWaalsContact O-N 3.14Å; Y111-Y115 HydrophobicContact CD2-CD2 4.05Å; Y111-Y115 AromaticContact CD2-CE2 3.57Å; Y111-Y115 HydrophobicContact CD2-CE2 3.57Å; Y111-Y115 HydrophobicContact CE2-CE2 4.06Å; Y111-Y115 PolarHBondContact O-N 2.84Å |
| 112 | L | 90.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.2 | -66.2 | 176.7 | 0 | 0 | 0 | 111.4 | L106 A109 F110 I114 Y115 I116 C186 Y191 | L106-L112 HydrophobicContact CD2-CB 3.89Å; L106-L112 HydrophobicContact CD2-CD1 3.93Å; A109-L112 HydrophobicContact CB-CD1 3.75Å; A109-L112 HydrophobicContact CB-CG 3.97Å; A109-L112 VanDerWaalsContact O-CB 3.29Å; A109-L112 WeakPolarHBondContact O-CB 3.4Å; A109-L112 WeakPolarHBondContact O-CG 3.46Å; A109-L112 PolarHBondContact O-N 3.47Å; F110-L112 PolarHBondContact O-N 2.92Å; L112-I114 PolarHBondContact O-N 3.36Å; L112-Y115 HydrophobicContact CD2-CD2 4.21Å; L112-Y115 WeakPolarHBondContact O-CB 3.42Å; L112-Y115 PolarHBondContact O-N 3.46Å; L112-Y115 VanDerWaalsContact O-N 3.1Å; L112-I116 PolarHBondContact O-N 3.22Å; L112-I116 VanDerWaalsContact O-N 3.17Å; L112-C186 HydrophobicContact CD1-CB 4.2Å; L112-Y191 HydrophobicContact CB-CE1 4.36Å; L112-Y191 HydrophobicContact CD1-CD1 3.8Å; L112-Y191 HydrophobicContact CD1-CE1 3.94Å; L112-Y191 HydrophobicContact CD1-CG 4.49Å; L112-Y191 HydrophobicContact CD2-CE1 3.98Å; L112-Y191 HydrophobicContact CG-CE1 4.32Å |
| 113 | S | 91.4 | Very high | 90.9 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -32 | 173.3 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | F110 C117 | F110-S113 PolarHBondContact O-N 3.38Å; S113-C117 PolarHBondContact O-N 3.08Å; S113-C117 PolarHBondContact O-SG 3.01Å |
| 114 | I | 93.1 | Very high | 91.2 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 173.9 | -59.4 | 179 | 0 | 0 | 0 | 111 | L77 F80 A81 F110 Y111 L112 C117 C118 | L77-I114 HydrophobicContact CD1-CD1 4.43Å; L77-I114 HydrophobicContact CD1-CG2 3.58Å; L77-I114 HydrophobicContact CD2-CG2 3.99Å; L77-I114 HydrophobicContact CG-CG2 3.44Å; L77-I114 VanDerWaalsContact CG-CG2 3.44Å; F80-I114 HydrophobicContact CD1-CD1 4.17Å; F80-I114 HydrophobicContact CE1-CD1 4.08Å; A81-I114 HydrophobicContact CB-CB 4.15Å; A81-I114 HydrophobicContact CB-CG2 3.79Å; F110-I114 HydrophobicContact CD2-CD1 3.79Å; F110-I114 HydrophobicContact CE2-CD1 3.76Å; F110-I114 PolarHBondContact O-N 3.01Å; Y111-I114 CarbonylContact O-C 3.52Å; Y111-I114 WeakPolarHBondContact O-CA 3.38Å; Y111-I114 WeakPolarHBondContact O-CB 3.39Å; Y111-I114 PolarHBondContact O-N 3.25Å; Y111-I114 VanDerWaalsContact O-N 3.14Å; L112-I114 PolarHBondContact O-N 3.36Å; I114-C117 WeakPolarHBondContact O-CB 3.29Å; I114-C117 PolarHBondContact O-N 3.39Å; I114-C118 WeakPolarHBondContact O-CB 3.49Å; I114-C118 PolarHBondContact O-N 3.04Å; I114-C118 PolarHBondContact O-SG 3.43Å |
| 115 | Y | 90.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 26 Ų | 26 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 175.3 | -72.3 | -45 | 0 | 0 | 0 | 111.8 | A81 F82 S85 Y111 L112 C117 C118 D119 | A81-Y115 HydrophobicContact CB-CD1 3.74Å; A81-Y115 HydrophobicContact CB-CE1 3.45Å; A81-Y115 VanDerWaalsContact CB-CE1 3.45Å; A81-Y115 HydrophobicContact CB-CG 4.47Å; A81-Y115 PolarHBondContact O-OH 3.06Å; F82-Y115 VanDerWaalsContact CA-OH 3.3Å; F82-Y115 WeakPolarHBondContact CA-OH 3.09Å; F82-Y115 AromaticContact CD1-CE1 3.86Å; F82-Y115 HydrophobicContact CD1-CE1 3.86Å; F82-Y115 AromaticContact CD1-CZ 3.79Å; F82-Y115 WeakPolarHBondContact CD1-OH 3.29Å; F82-Y115 HydrophobicContact CD2-CE1 4.19Å; F82-Y115 AromaticContact CE1-CE1 3.78Å; F82-Y115 HydrophobicContact CE1-CE1 3.78Å; F82-Y115 AromaticContact CE1-CZ 3.87Å; F82-Y115 WeakPolarHBondContact CE1-OH 3.5Å; F82-Y115 HydrophobicContact CE2-CE1 4.05Å; F82-Y115 HydrophobicContact CG-CE1 4.08Å; F82-Y115 AromaticContact CZ-CE1 3.87Å; F82-Y115 HydrophobicContact CZ-CE1 3.87Å; F82-Y115 PolarHBondContact N-OH 2.98Å; S85-Y115 VanDerWaalsContact CB-OH 3.24Å; S85-Y115 WeakPolarHBondContact CB-OH 3.28Å; Y111-Y115 HydrophobicContact CD2-CD2 4.05Å; Y111-Y115 AromaticContact CD2-CE2 3.57Å; Y111-Y115 HydrophobicContact CD2-CE2 3.57Å; Y111-Y115 HydrophobicContact CE2-CE2 4.06Å; Y111-Y115 PolarHBondContact O-N 2.84Å; L112-Y115 HydrophobicContact CD2-CD2 4.21Å; L112-Y115 WeakPolarHBondContact O-CB 3.42Å; L112-Y115 PolarHBondContact O-N 3.46Å; L112-Y115 VanDerWaalsContact O-N 3.1Å; Y115-C117 PolarHBondContact O-N 2.87Å; Y115-C118 CarbonylContact O-C 3.58Å; Y115-C118 WeakPolarHBondContact O-CA 3.13Å; Y115-C118 WeakPolarHBondContact O-CB 3.16Å; Y115-C118 PolarHBondContact O-N 3.1Å; Y115-D119 VanDerWaalsContact O-CG 3.27Å; Y115-D119 PolarHBondContact O-N 3.38Å |
| 116 | I | 91 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.7 | -45.7 | 176.4 | -63.2 | 168.4 | 0 | 0 | 0 | 111 | L112 C118 I120 D165 V166 C169 Y191 | L112-I116 PolarHBondContact O-N 3.22Å; L112-I116 VanDerWaalsContact O-N 3.17Å; I116-C118 PolarHBondContact O-N 2.77Å; I116-I120 PolarHBondContact O-N 3.07Å; I116-D165 WeakPolarHBondContact CG2-OD2 3.32Å; I116-V166 HydrophobicContact CB-CG2 4.46Å; I116-V166 HydrophobicContact CG2-CG2 3.92Å; I116-C169 HydrophobicContact CD1-CB 3.98Å; I116-C169 VanDerWaalsContact CD1-SG 3.53Å; I116-Y191 HydrophobicContact CD1-CE2 4.48Å |
| 117 | C | 94.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 27 Ų | 27 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.7 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | S113 I114 Y115 L121 I162 | S113-C117 PolarHBondContact O-N 3.08Å; S113-C117 PolarHBondContact O-SG 3.01Å; I114-C117 WeakPolarHBondContact O-CB 3.29Å; I114-C117 PolarHBondContact O-N 3.39Å; Y115-C117 PolarHBondContact O-N 2.87Å; C117-L121 WeakPolarHBondContact O-CB 3.27Å; C117-L121 VanDerWaalsContact O-CG 3.22Å; C117-L121 WeakPolarHBondContact O-CG 3.29Å; C117-L121 PolarHBondContact O-N 3.31Å; C117-I162 HydrophobicContact CB-CG2 3.8Å; C117-I162 WeakPolarHBondContact SG-CG2 3.47Å |
| 118 | C | 92.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.1 | -35.3 | -178.3 | -70 | 0 | 0 | 0 | 0 | 112.9 | T78 I114 Y115 I116 L121 G122 | T78-C118 VanDerWaalsContact OG1-CB 3.32Å; T78-C118 WeakPolarHBondContact OG1-CB 3.2Å; T78-C118 PolarHBondContact OG1-SG 2.85Å; T78-C118 VanDerWaalsContact OG1-SG 3.37Å; I114-C118 WeakPolarHBondContact O-CB 3.49Å; I114-C118 PolarHBondContact O-N 3.04Å; I114-C118 PolarHBondContact O-SG 3.43Å; Y115-C118 CarbonylContact O-C 3.58Å; Y115-C118 WeakPolarHBondContact O-CA 3.13Å; Y115-C118 WeakPolarHBondContact O-CB 3.16Å; Y115-C118 PolarHBondContact O-N 3.1Å; I116-C118 PolarHBondContact O-N 2.77Å; C118-L121 PolarHBondContact O-N 3.01Å; C118-G122 WeakPolarHBondContact O-CA 3.31Å; C118-G122 PolarHBondContact O-N 2.93Å |
| 119 | D | 89.8 | Confident | 91.3 | Very high | 66 Ų | 66 | 19.5 Ų | 19.5 | 35% | 0.353 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 179 | -67.7 | -24.7 | 0 | 0 | 0 | 110.1 | Y115 G122 V123 L204 | Y115-D119 VanDerWaalsContact O-CG 3.27Å; Y115-D119 PolarHBondContact O-N 3.38Å; D119-G122 PolarHBondContact O-N 2.87Å; D119-V123 PolarHBondContact O-N 2.98Å; D119-L204 HydrophobicContact CB-CD1 3.94Å; D119-L204 HydrophobicContact CB-CD2 4.15Å |
| 120 | I | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.5 | -49 | 175.3 | -63.9 | 173.1 | 0 | 0 | 0 | 110.7 | I116 G122 V123 A124 I162 D165 Y203 L204 | I116-I120 PolarHBondContact O-N 3.07Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.33Å; I120-V123 PolarHBondContact O-N 3.44Å; I120-A124 HydrophobicContact CG2-CB 4.37Å; I120-A124 WeakPolarHBondContact O-CB 3.26Å; I120-A124 PolarHBondContact O-N 3.26Å; I120-I162 HydrophobicContact CB-CG1 3.9Å; I120-I162 HydrophobicContact CD1-CG1 4.26Å; I120-I162 HydrophobicContact CG2-CD1 4.38Å; I120-I162 HydrophobicContact CG2-CG1 3.63Å; I120-D165 HydrophobicContact CD1-CB 3.51Å; I120-D165 WeakPolarHBondContact CD1-OD2 3.37Å; I120-Y203 HydrophobicContact CD1-CD1 4.4Å; I120-Y203 HydrophobicContact CD1-CE1 4.03Å; I120-Y203 HydrophobicContact CG1-CD1 4.33Å; I120-Y203 HydrophobicContact CG1-CE1 4.04Å; I120-Y203 HydrophobicContact CG2-CE1 4.06Å; I120-L204 HydrophobicContact CB-CD2 4.46Å; I120-L204 HydrophobicContact CG1-CD2 3.92Å |
| 121 | L | 93.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 17.3 Ų | 17.3 | 18% | 0.183 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 178.7 | -76.2 | 170.1 | 0 | 0 | 0 | 112 | T74 C117 C118 V123 A124 I125 V158 I162 | T74-L121 HydrophobicContact CG2-CB 3.44Å; T74-L121 VanDerWaalsContact CG2-CB 3.44Å; T74-L121 HydrophobicContact CG2-CD1 4.32Å; T74-L121 WeakPolarHBondContact OG1-CB 2.9Å; C117-L121 WeakPolarHBondContact O-CB 3.27Å; C117-L121 VanDerWaalsContact O-CG 3.22Å; C117-L121 WeakPolarHBondContact O-CG 3.29Å; C117-L121 PolarHBondContact O-N 3.31Å; C118-L121 PolarHBondContact O-N 3.01Å; L121-V123 PolarHBondContact O-N 3.11Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-I125 HydrophobicContact CD2-CD1 4.49Å; L121-I125 HydrophobicContact CD2-CG1 4.38Å; L121-I125 WeakPolarHBondContact O-CB 3.49Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 3.3Å; L121-V158 HydrophobicContact CD2-CG1 3.97Å; L121-I162 HydrophobicContact CD1-CD1 4.21Å; L121-I162 HydrophobicContact CD2-CD1 3.5Å; L121-I162 HydrophobicContact CG-CD1 3.48Å; L121-I162 VanDerWaalsContact CG-CD1 3.48Å |
| 122 | G | 88.5 | Confident | 91 | Very high | 10 Ų | 10 | 17 Ų | 17 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C118 D119 I120 P126 Q258 | C118-G122 WeakPolarHBondContact O-CA 3.31Å; C118-G122 PolarHBondContact O-N 2.93Å; D119-G122 PolarHBondContact O-N 2.87Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.33Å; G122-P126 WeakPolarHBondContact O-CD 3.29Å; G122-P126 WeakPolarHBondContact O-CG 3.34Å; G122-Q258 PolarHBondContact O-OE1 3.38Å |
| 123 | V | 88.9 | Confident | 90.8 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -94.3 | -44.4 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | D119 I120 L121 I125 P126 V127 L204 L207 S208 Q258 | D119-V123 PolarHBondContact O-N 2.98Å; I120-V123 PolarHBondContact O-N 3.44Å; L121-V123 PolarHBondContact O-N 3.11Å; V123-I125 PolarHBondContact O-N 2.97Å; V123-P126 VanDerWaalsContact O-CD 3.24Å; V123-P126 WeakPolarHBondContact O-CD 3.28Å; V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 3.23Å; V123-L204 HydrophobicContact CG2-CD2 4.28Å; V123-L207 HydrophobicContact CB-CB 4.32Å; V123-L207 HydrophobicContact CG1-CB 3.49Å; V123-L207 VanDerWaalsContact CG1-CB 3.49Å; V123-S208 VanDerWaalsContact CG1-N 3.29Å; V123-S208 VanDerWaalsContact CG1-OG 3.23Å; V123-S208 WeakPolarHBondContact CG1-OG 3.35Å; V123-Q258 VanDerWaalsContact CG2-CD 3.48Å; V123-Q258 HydrophobicContact CG2-CG 4.12Å |
| 124 | A | 93 | Very high | 90.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I120 L121 V127 L128 V158 L207 | I120-A124 HydrophobicContact CG2-CB 4.37Å; I120-A124 WeakPolarHBondContact O-CB 3.26Å; I120-A124 PolarHBondContact O-N 3.26Å; L121-A124 PolarHBondContact O-N 3.3Å; A124-V127 WeakPolarHBondContact O-CB 3.34Å; A124-V127 PolarHBondContact O-N 3.15Å; A124-L128 WeakPolarHBondContact O-CG 3.29Å; A124-L128 PolarHBondContact O-N 2.93Å; A124-V158 HydrophobicContact CB-CB 4.49Å; A124-V158 HydrophobicContact CB-CG1 3.7Å; A124-V158 HydrophobicContact CB-CG2 3.92Å; A124-L207 HydrophobicContact CB-CD1 4.36Å |
| 125 | I | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 176.9 | -60.1 | -60.2 | 0 | 0 | 0 | 111.4 | Y67 A70 Y71 L121 V123 V127 L128 I129 L155 | Y67-I125 WeakPolarHBondContact O-CG2 3.35Å; A70-I125 HydrophobicContact CB-CD1 3.78Å; A70-I125 HydrophobicContact CB-CG1 4.32Å; A70-I125 HydrophobicContact CB-CG2 4.47Å; Y71-I125 HydrophobicContact CD2-CB 4.3Å; Y71-I125 HydrophobicContact CD2-CG2 4.17Å; Y71-I125 HydrophobicContact CG-CG2 4.42Å; L121-I125 HydrophobicContact CD2-CD1 4.49Å; L121-I125 HydrophobicContact CD2-CG1 4.38Å; L121-I125 WeakPolarHBondContact O-CB 3.49Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 3.3Å; V123-I125 PolarHBondContact O-N 2.97Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 2.85Å; I125-L128 HydrophobicContact CD1-CD1 4.33Å; I125-L128 WeakPolarHBondContact O-CB 3.2Å; I125-L128 PolarHBondContact O-N 3.41Å; I125-L128 VanDerWaalsContact O-N 3.08Å; I125-I129 HydrophobicContact CG2-CD1 4.04Å; I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.46Å; I125-I129 PolarHBondContact O-N 2.93Å; I125-L155 HydrophobicContact CD1-CD2 3.33Å |
| 126 | P | 88 | Confident | 90.1 | Very high | 9 Ų | 9 | 16.9 Ų | 16.9 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.4 | -36 | 167.7 | -31.5 | 36.7 | 0 | 0 | 0 | 115.1 | Y71 G122 V123 I129 S130 T254 | Y71-P126 HydrophobicContact CD2-CG 4.38Å; Y71-P126 HydrophobicContact CE2-CG 4.03Å; G122-P126 WeakPolarHBondContact O-CD 3.29Å; G122-P126 WeakPolarHBondContact O-CG 3.34Å; V123-P126 VanDerWaalsContact O-CD 3.24Å; V123-P126 WeakPolarHBondContact O-CD 3.28Å; P126-I129 PolarHBondContact O-N 3.49Å; P126-S130 VanDerWaalsContact O-CB 3.3Å; P126-S130 WeakPolarHBondContact O-CB 3.2Å; P126-S130 PolarHBondContact O-N 3.46Å; P126-S130 PolarHBondContact O-OG 2.91Å; P126-T254 HydrophobicContact CB-CG2 4.26Å; P126-T254 HydrophobicContact CG-CG2 4.32Å |
| 127 | V | 91.2 | Very high | 89.8 | Confident | 15 Ų | 15 | 17 Ų | 17 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 171.4 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | V123 A124 I125 I129 S130 F131 L207 C210 A211 F214 | V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 3.23Å; A124-V127 WeakPolarHBondContact O-CB 3.34Å; A124-V127 PolarHBondContact O-N 3.15Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 2.85Å; V127-I129 VanDerWaalsContact C-N 3.35Å; V127-I129 PolarHBondContact O-N 3.18Å; V127-S130 PolarHBondContact O-N 3.41Å; V127-F131 VanDerWaalsContact O-CB 3.25Å; V127-F131 WeakPolarHBondContact O-CB 3.4Å; V127-F131 PolarHBondContact O-N 2.91Å; V127-L207 HydrophobicContact CG2-CB 4.29Å; V127-L207 WeakPolarHBondContact CG2-O 3.36Å; V127-C210 HydrophobicContact CG1-CB 4.46Å; V127-C210 HydrophobicContact CG2-CB 4.46Å; V127-A211 HydrophobicContact CB-CB 4.39Å; V127-A211 HydrophobicContact CG2-CB 3.7Å; V127-F214 HydrophobicContact CG1-CD2 4.19Å; V127-F214 HydrophobicContact CG1-CE2 4.07Å |
| 128 | L | 92.9 | Very high | 89.2 | Confident | 15 Ų | 15 | 19.1 Ų | 19.1 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.7 | -65.8 | -178.1 | 0 | 0 | 0 | 112.4 | Y67 A124 I125 F131 E132 L154 L155 V158 | Y67-L128 HydrophobicContact CD1-CB 4.2Å; Y67-L128 HydrophobicContact CD1-CD1 4.23Å; Y67-L128 HydrophobicContact CE1-CB 3.98Å; Y67-L128 HydrophobicContact CE1-CD1 3.8Å; Y67-L128 HydrophobicContact CE1-CG 4.47Å; Y67-L128 HydrophobicContact CE2-CB 4.33Å; Y67-L128 HydrophobicContact CG-CB 4.49Å; A124-L128 WeakPolarHBondContact O-CG 3.29Å; A124-L128 PolarHBondContact O-N 2.93Å; I125-L128 HydrophobicContact CD1-CD1 4.33Å; I125-L128 WeakPolarHBondContact O-CB 3.2Å; I125-L128 PolarHBondContact O-N 3.41Å; I125-L128 VanDerWaalsContact O-N 3.08Å; L128-F131 PolarHBondContact O-N 3.23Å; L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 PolarHBondContact O-N 3.49Å; L128-L154 HydrophobicContact CD1-CB 4.38Å; L128-L154 HydrophobicContact CD2-CB 3.9Å; L128-L154 HydrophobicContact CD2-CD1 4.25Å; L128-L155 HydrophobicContact CD1-CD2 3.8Å; L128-L155 HydrophobicContact CD1-CG 4.27Å; L128-V158 HydrophobicContact CD1-CG2 4.03Å |
| 129 | I | 89.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 20.7 Ų | 20.7 | 9% | 0.087 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.8 | -66.7 | 169.5 | 0 | 0 | 0 | 110.2 | Y67 I125 P126 V127 E132 R133 L247 | Y67-I129 HydrophobicContact CD2-CG1 4.44Å; Y67-I129 HydrophobicContact CG-CG1 4.35Å; I125-I129 HydrophobicContact CG2-CD1 4.04Å; I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.46Å; I125-I129 PolarHBondContact O-N 2.93Å; P126-I129 PolarHBondContact O-N 3.49Å; V127-I129 VanDerWaalsContact C-N 3.35Å; V127-I129 PolarHBondContact O-N 3.18Å; I129-E132 PolarHBondContact O-N 3Å; I129-R133 WeakPolarHBondContact O-CG 3.35Å; I129-R133 PolarHBondContact O-N 3.38Å; I129-R133 VanDerWaalsContact O-N 3.15Å; I129-L247 HydrophobicContact CG2-CD1 4.4Å |
| 130 | S | 87.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | -179.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | P126 V127 R133 F134 | P126-S130 VanDerWaalsContact O-CB 3.3Å; P126-S130 WeakPolarHBondContact O-CB 3.2Å; P126-S130 PolarHBondContact O-N 3.46Å; P126-S130 PolarHBondContact O-OG 2.91Å; V127-S130 PolarHBondContact O-N 3.41Å; S130-R133 PolarHBondContact O-N 2.8Å; S130-F134 WeakPolarHBondContact O-CB 3.48Å; S130-F134 PolarHBondContact O-N 3.31Å |
| 131 | F | 91.1 | Very high | 87.9 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 25% | 0.246 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 175.7 | -179.4 | -113.6 | 0 | 0 | 0 | 112.6 | V127 L128 R133 F134 I135 L154 F214 | V127-F131 VanDerWaalsContact O-CB 3.25Å; V127-F131 WeakPolarHBondContact O-CB 3.4Å; V127-F131 PolarHBondContact O-N 2.91Å; L128-F131 PolarHBondContact O-N 3.23Å; F131-R133 VanDerWaalsContact C-N 3.29Å; F131-R133 PolarHBondContact O-N 3.2Å; F131-F134 PolarHBondContact O-N 3.08Å; F131-I135 HydrophobicContact CD1-CD1 3.87Å; F131-I135 HydrophobicContact CD2-CD1 4.18Å; F131-I135 HydrophobicContact CD2-CG1 4.42Å; F131-I135 HydrophobicContact CE1-CD1 3.31Å; F131-I135 HydrophobicContact CE1-CG1 4.46Å; F131-I135 HydrophobicContact CE2-CD1 3.67Å; F131-I135 HydrophobicContact CE2-CG1 4.13Å; F131-I135 HydrophobicContact CG-CD1 4.29Å; F131-I135 HydrophobicContact CZ-CD1 3.23Å; F131-I135 HydrophobicContact CZ-CG1 4.19Å; F131-I135 WeakPolarHBondContact O-CG1 3.3Å; F131-I135 PolarHBondContact O-N 3.44Å; F131-L154 HydrophobicContact CE1-CD1 4.32Å; F131-F214 HydrophobicContact CB-CD2 4.02Å; F131-F214 HydrophobicContact CB-CE2 4.25Å; F131-F214 HydrophobicContact CB-CG 4.33Å; F131-F214 AromaticContact CD2-CD1 3.96Å; F131-F214 HydrophobicContact CD2-CD1 3.96Å; F131-F214 HydrophobicContact CD2-CD2 4.26Å; F131-F214 AromaticContact CD2-CE1 3.63Å; F131-F214 HydrophobicContact CD2-CE1 3.63Å; F131-F214 AromaticContact CD2-CE2 3.94Å; F131-F214 HydrophobicContact CD2-CE2 3.94Å; F131-F214 HydrophobicContact CD2-CG 4.28Å; F131-F214 AromaticContact CD2-CZ 3.63Å; F131-F214 HydrophobicContact CD2-CZ 3.63Å; F131-F214 HydrophobicContact CE2-CE1 4.09Å; F131-F214 HydrophobicContact CE2-CZ 4.12Å; F131-F214 HydrophobicContact CG-CE2 4.47Å |
| 132 | E | 89 | Confident | 87.6 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -46.4 | 174 | -172.7 | -158.3 | 176.7 | 0 | 0 | 110.6 | I63 S64 Y67 L128 I129 A136 Y143 | I63-E132 HydrophobicContact CG2-CG 4.16Å; S64-E132 PolarHBondContact N-OE1 3.36Å; Y67-E132 HydrophobicContact CE2-CB 4.12Å; Y67-E132 HydrophobicContact CE2-CG 4.41Å; L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 PolarHBondContact O-N 3.49Å; I129-E132 PolarHBondContact O-N 3Å; E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.03Å; E132-Y143 HydrophobicContact CG-CE2 4.23Å |
| 133 | R | 85.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 178.4 | -63 | -59.4 | 126.7 | -156.5 | -3.8 | 112 | I129 S130 F131 I135 A136 V137 T244 L247 | I129-R133 WeakPolarHBondContact O-CG 3.35Å; I129-R133 PolarHBondContact O-N 3.38Å; I129-R133 VanDerWaalsContact O-N 3.15Å; S130-R133 PolarHBondContact O-N 2.8Å; F131-R133 VanDerWaalsContact C-N 3.29Å; F131-R133 PolarHBondContact O-N 3.2Å; R133-I135 PolarHBondContact O-N 3.46Å; R133-A136 PolarHBondContact O-N 3.04Å; R133-V137 WeakPolarHBondContact O-CG2 3.28Å; R133-V137 PolarHBondContact O-N 3.5Å; R133-V137 VanDerWaalsContact O-N 3.11Å; R133-T244 HydrophobicContact CB-CG2 4.28Å; R133-T244 HydrophobicContact CG-CG2 4.5Å; R133-L247 HydrophobicContact CG-CD1 4.34Å |
| 134 | F | 87.4 | Confident | 87.3 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 177.2 | 178.8 | -108.8 | 0 | 0 | 0 | 111.4 | S130 F131 A136 V137 M138 F214 A218 | S130-F134 WeakPolarHBondContact O-CB 3.48Å; S130-F134 PolarHBondContact O-N 3.31Å; F131-F134 PolarHBondContact O-N 3.08Å; F134-A136 PolarHBondContact O-N 3.46Å; F134-V137 PolarHBondContact O-N 3.48Å; F134-M138 HydrophobicContact CD1-CG 4.35Å; F134-M138 HydrophobicContact CD2-CG 3.84Å; F134-M138 HydrophobicContact CE1-CG 4.04Å; F134-M138 HydrophobicContact CE2-CG 3.49Å; F134-M138 VanDerWaalsContact CE2-CG 3.49Å; F134-M138 HydrophobicContact CE2-SD 4.14Å; F134-M138 HydrophobicContact CG-CG 4.26Å; F134-M138 HydrophobicContact CZ-CE 4.17Å; F134-M138 HydrophobicContact CZ-CG 3.61Å; F134-M138 HydrophobicContact CZ-SD 4.34Å; F134-M138 VanDerWaalsContact O-CB 3.22Å; F134-M138 WeakPolarHBondContact O-CB 3.37Å; F134-M138 VanDerWaalsContact O-CG 3.24Å; F134-M138 WeakPolarHBondContact O-CG 3.34Å; F134-M138 PolarHBondContact O-N 2.89Å; F134-F214 HydrophobicContact CB-CB 4.15Å; F134-F214 HydrophobicContact CB-CD1 4.4Å; F134-F214 AromaticContact CD1-CD1 3.89Å; F134-F214 HydrophobicContact CD1-CD1 3.89Å; F134-F214 HydrophobicContact CD1-CE1 4.44Å; F134-F214 WeakPolarHBondContact CD2-O 3.33Å; F134-F214 HydrophobicContact CE1-CD1 4.38Å; F134-F214 HydrophobicContact CG-CD1 4.14Å; F134-A218 HydrophobicContact CB-CB 4.39Å; F134-A218 HydrophobicContact CD2-CB 4.45Å |
| 135 | I | 88.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.5 | -71.8 | 176 | 0 | 0 | 0 | 111.4 | F131 R133 V137 M138 S139 L142 Y143 M146 | F131-I135 HydrophobicContact CD1-CD1 3.87Å; F131-I135 HydrophobicContact CD2-CD1 4.18Å; F131-I135 HydrophobicContact CD2-CG1 4.42Å; F131-I135 HydrophobicContact CE1-CD1 3.31Å; F131-I135 HydrophobicContact CE1-CG1 4.46Å; F131-I135 HydrophobicContact CE2-CD1 3.67Å; F131-I135 HydrophobicContact CE2-CG1 4.13Å; F131-I135 HydrophobicContact CG-CD1 4.29Å; F131-I135 HydrophobicContact CZ-CD1 3.23Å; F131-I135 HydrophobicContact CZ-CG1 4.19Å; F131-I135 WeakPolarHBondContact O-CG1 3.3Å; F131-I135 PolarHBondContact O-N 3.44Å; R133-I135 PolarHBondContact O-N 3.46Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.36Å; I135-M138 PolarHBondContact O-N 3.44Å; I135-S139 PolarHBondContact O-N 2.93Å; I135-L142 HydrophobicContact CG2-CB 3.78Å; I135-Y143 HydrophobicContact CG2-CD2 4.19Å; I135-Y143 VanDerWaalsContact CG2-N 3.33Å; I135-M146 HydrophobicContact CD1-CG 4.29Å; I135-M146 HydrophobicContact CD1-SD 4.25Å; I135-M146 HydrophobicContact CG2-CG 4.28Å |
| 136 | A | 85.6 | Confident | 87 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.3 | -46.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E132 R133 F134 Y143 | E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.03Å; R133-A136 PolarHBondContact O-N 3.04Å; F134-A136 PolarHBondContact O-N 3.46Å; A136-Y143 HydrophobicContact CB-CD2 3.7Å; A136-Y143 HydrophobicContact CB-CE2 3.81Å; A136-Y143 HydrophobicContact CB-CG 4.18Å |
| 137 | V | 83.1 | Confident | 87.2 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.9 | -40.4 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | R133 F134 I135 A221 I222 R225 | R133-V137 WeakPolarHBondContact O-CG2 3.28Å; R133-V137 PolarHBondContact O-N 3.5Å; R133-V137 VanDerWaalsContact O-N 3.11Å; F134-V137 PolarHBondContact O-N 3.48Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.36Å; V137-A221 HydrophobicContact CB-CB 4.47Å; V137-A221 HydrophobicContact CG1-CB 3.5Å; V137-A221 VanDerWaalsContact CG1-CB 3.5Å; V137-I222 HydrophobicContact CG1-CG1 3.78Å; V137-I222 HydrophobicContact CG2-CD1 4.16Å; V137-I222 HydrophobicContact CG2-CG1 3.9Å; V137-R225 PolarHBondContact O-NH1 3.44Å |
| 138 | M | 83.1 | Confident | 87.3 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.4 | -45.3 | -172.3 | -78.7 | -64.8 | -76 | 0 | 0 | 113 | F134 I135 A221 R225 | F134-M138 HydrophobicContact CD1-CG 4.35Å; F134-M138 HydrophobicContact CD2-CG 3.84Å; F134-M138 HydrophobicContact CE1-CG 4.04Å; F134-M138 HydrophobicContact CE2-CG 3.49Å; F134-M138 VanDerWaalsContact CE2-CG 3.49Å; F134-M138 HydrophobicContact CE2-SD 4.14Å; F134-M138 HydrophobicContact CG-CG 4.26Å; F134-M138 HydrophobicContact CZ-CE 4.17Å; F134-M138 HydrophobicContact CZ-CG 3.61Å; F134-M138 HydrophobicContact CZ-SD 4.34Å; F134-M138 VanDerWaalsContact O-CB 3.22Å; F134-M138 WeakPolarHBondContact O-CB 3.37Å; F134-M138 VanDerWaalsContact O-CG 3.24Å; F134-M138 WeakPolarHBondContact O-CG 3.34Å; F134-M138 PolarHBondContact O-N 2.89Å; I135-M138 PolarHBondContact O-N 3.44Å; M138-A221 HydrophobicContact CG-CB 4.32Å; M138-A221 HydrophobicContact SD-CB 3.58Å; M138-A221 VanDerWaalsContact SD-CB 3.58Å; M138-R225 PolarHBondContact O-NH1 2.98Å; M138-R225 PolarHBondContact O-NH2 3.37Å |
| 139 | S | 82.7 | Confident | 87.4 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | trans | -154.7 | 113.5 | -174.3 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | I135 R141 L142 Y143 | I135-S139 PolarHBondContact O-N 2.93Å; S139-R141 PolarHBondContact O-N 3.14Å; S139-R141 PolarHBondContact OG-N 3.42Å; S139-L142 PolarHBondContact O-N 3.34Å; S139-L142 VanDerWaalsContact O-N 3.15Å; S139-L142 PolarHBondContact OG-N 3.12Å; S139-Y143 PolarHBondContact O-N 3.1Å | ||
| 140 | H | 80 | Confident | 87.8 | Confident | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -56.7 | -35.1 | 171.3 | -179 | -83.8 | 0 | 0 | 0 | 112.1 | Y143 S144 | H140-Y143 PolarHBondContact O-N 2.86Å; H140-S144 WeakPolarHBondContact O-CB 3.19Å; H140-S144 PolarHBondContact O-N 3.27Å; H140-S144 PolarHBondContact O-OG 3.29Å |
| 141 | R | 84.9 | Confident | 88.1 | Confident | 201 Ų | 201 | 63.2 Ų | 63.2 | 76% | 0.758 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 177.8 | -176.2 | 179.8 | 176.6 | -173.8 | -1.1 | 110.9 | S139 S144 | S139-R141 PolarHBondContact O-N 3.14Å; S139-R141 PolarHBondContact OG-N 3.42Å; R141-S144 PolarHBondContact O-N 2.84Å; R141-S144 PolarHBondContact O-OG 3.23Å |
| 142 | L | 86.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 176.9 | -67.8 | 175.6 | 0 | 0 | 0 | 111.3 | I135 S139 S144 L145 M146 | I135-L142 HydrophobicContact CG2-CB 3.78Å; S139-L142 PolarHBondContact O-N 3.34Å; S139-L142 VanDerWaalsContact O-N 3.15Å; S139-L142 PolarHBondContact OG-N 3.12Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 2.88Å; L142-L145 HydrophobicContact CD2-CD1 4.41Å; L142-L145 WeakPolarHBondContact O-CB 3.35Å; L142-L145 PolarHBondContact O-N 2.8Å; L142-M146 PolarHBondContact O-N 3.46Å |
| 143 | Y | 86.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.8 | -169.9 | -108.8 | 0 | 0 | 0 | 112.6 | E132 I135 A136 S139 H140 L145 M146 | E132-Y143 HydrophobicContact CG-CE2 4.23Å; I135-Y143 HydrophobicContact CG2-CD2 4.19Å; I135-Y143 VanDerWaalsContact CG2-N 3.33Å; A136-Y143 HydrophobicContact CB-CD2 3.7Å; A136-Y143 HydrophobicContact CB-CE2 3.81Å; A136-Y143 HydrophobicContact CB-CG 4.18Å; S139-Y143 PolarHBondContact O-N 3.1Å; H140-Y143 PolarHBondContact O-N 2.86Å; Y143-L145 PolarHBondContact O-N 2.85Å; Y143-M146 HydrophobicContact CD2-CB 4.45Å; Y143-M146 VanDerWaalsContact O-CB 3.29Å; Y143-M146 WeakPolarHBondContact O-CB 3.1Å; Y143-M146 PolarHBondContact O-N 3.31Å |
| 144 | S | 85.7 | Confident | 89.3 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -21.6 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | H140 R141 L142 | H140-S144 WeakPolarHBondContact O-CB 3.19Å; H140-S144 PolarHBondContact O-N 3.27Å; H140-S144 PolarHBondContact O-OG 3.29Å; R141-S144 PolarHBondContact O-N 2.84Å; R141-S144 PolarHBondContact O-OG 3.23Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 2.88Å |
| 145 | L | 90.5 | Very high | 89.8 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 58% | 0.576 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -81.1 | -22.3 | 172.8 | -59.1 | 173.7 | 0 | 0 | 0 | 112 | L142 Y143 N147 | L142-L145 HydrophobicContact CD2-CD1 4.41Å; L142-L145 WeakPolarHBondContact O-CB 3.35Å; L142-L145 PolarHBondContact O-N 2.8Å; Y143-L145 PolarHBondContact O-N 2.85Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.81Å |
| 146 | M | 89.1 | Confident | 90.2 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | trans | -71.2 | 90.3 | 173.7 | -69.4 | -72.6 | -70.5 | 0 | 0 | 109 | I63 I135 L142 Y143 V150 L154 | I63-M146 HydrophobicContact CD1-CB 4.22Å; I63-M146 WeakPolarHBondContact CD1-O 3.41Å; I135-M146 HydrophobicContact CD1-CG 4.29Å; I135-M146 HydrophobicContact CD1-SD 4.25Å; I135-M146 HydrophobicContact CG2-CG 4.28Å; L142-M146 PolarHBondContact O-N 3.46Å; Y143-M146 HydrophobicContact CD2-CB 4.45Å; Y143-M146 VanDerWaalsContact O-CB 3.29Å; Y143-M146 WeakPolarHBondContact O-CB 3.1Å; Y143-M146 PolarHBondContact O-N 3.31Å; M146-V150 HydrophobicContact SD-CG1 3.89Å; M146-L154 HydrophobicContact CE-CD1 4.22Å | ||
| 147 | N | 92.6 | Very high | 90.8 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | trans | -103.9 | 173.5 | 170.2 | 68.1 | 31.9 | 0 | 0 | 0 | 110.4 | L145 K149 V150 A151 | L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.81Å; N147-K149 PolarHBondContact O-N 2.94Å; N147-K149 WeakPolarHBondContact OD1-CA 3.3Å; N147-K149 WeakPolarHBondContact OD1-CB 3.5Å; N147-K149 PolarHBondContact OD1-N 2.91Å; N147-V150 PolarHBondContact O-N 2.67Å; N147-V150 WeakPolarHBondContact OD1-CG2 3.25Å; N147-V150 PolarHBondContact OD1-N 2.93Å; N147-A151 PolarHBondContact O-N 3.39Å | ||
| 148 | L | 93 | Very high | 91.4 | Very high | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.4 | -32.6 | -179.4 | -169 | 68.8 | 0 | 0 | 0 | 112.7 | L66 A151 C152 | L66-L148 HydrophobicContact CD2-CD1 3.84Å; L148-A151 PolarHBondContact O-N 3.27Å; L148-C152 PolarHBondContact O-N 3.14Å; L148-C152 PolarHBondContact O-SG 3.07Å |
| 149 | K | 95.4 | Very high | 92.1 | Very high | 172 Ų | 172 | 74.7 Ų | 74.7 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 178.6 | -63.2 | -178 | 177.4 | -179 | 0 | 111.3 | N147 A151 C152 Y153 | N147-K149 PolarHBondContact O-N 2.94Å; N147-K149 WeakPolarHBondContact OD1-CA 3.3Å; N147-K149 WeakPolarHBondContact OD1-CB 3.5Å; N147-K149 PolarHBondContact OD1-N 2.91Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-C152 PolarHBondContact O-N 3.3Å; K149-Y153 WeakPolarHBondContact O-CB 3.15Å; K149-Y153 PolarHBondContact O-N 2.88Å |
| 150 | V | 95.8 | Very high | 92.8 | Very high | 55 Ų | 55 | 75.8 Ų | 75.8 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | M146 N147 C152 Y153 L154 | M146-V150 HydrophobicContact SD-CG1 3.89Å; N147-V150 PolarHBondContact O-N 2.67Å; N147-V150 WeakPolarHBondContact OD1-CG2 3.25Å; N147-V150 PolarHBondContact OD1-N 2.93Å; V150-C152 PolarHBondContact O-N 3.27Å; V150-Y153 WeakPolarHBondContact O-CB 3.33Å; V150-Y153 PolarHBondContact O-N 3.43Å; V150-L154 HydrophobicContact CG1-CD1 4.29Å; V150-L154 HydrophobicContact CG1-CG 4.48Å; V150-L154 WeakPolarHBondContact O-CG 3.5Å; V150-L154 PolarHBondContact O-N 2.83Å |
| 151 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I63 L66 Y67 N147 L148 K149 L154 L155 | I63-A151 HydrophobicContact CG1-CB 4.1Å; I63-A151 HydrophobicContact CG2-CB 3.87Å; L66-A151 HydrophobicContact CD2-CB 4.01Å; Y67-A151 HydrophobicContact CE1-CB 4.26Å; Y67-A151 WeakPolarHBondContact OH-CA 3.45Å; N147-A151 PolarHBondContact O-N 3.39Å; L148-A151 PolarHBondContact O-N 3.27Å; K149-A151 VanDerWaalsContact C-N 3.33Å; A151-L154 PolarHBondContact O-N 3.29Å; A151-L155 PolarHBondContact O-N 2.92Å |
| 152 | C | 96.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 174 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | L148 K149 V150 L155 G156 | L148-C152 PolarHBondContact O-N 3.14Å; L148-C152 PolarHBondContact O-SG 3.07Å; K149-C152 PolarHBondContact O-N 3.3Å; V150-C152 PolarHBondContact O-N 3.27Å; C152-L155 PolarHBondContact O-N 3.22Å; C152-G156 PolarHBondContact O-N 3.43Å |
| 153 | Y | 97.3 | Very high | 94.7 | Very high | 153 Ų | 153 | 62.2 Ų | 62.2 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 175.4 | 177.1 | -102.2 | 0 | 0 | 0 | 111.5 | K149 V150 L155 G156 L157 | K149-Y153 WeakPolarHBondContact O-CB 3.15Å; K149-Y153 PolarHBondContact O-N 2.88Å; V150-Y153 WeakPolarHBondContact O-CB 3.33Å; V150-Y153 PolarHBondContact O-N 3.43Å; Y153-L155 PolarHBondContact O-N 3.39Å; Y153-G156 CarbonylContact O-C 3.56Å; Y153-G156 WeakPolarHBondContact O-CA 3.11Å; Y153-G156 PolarHBondContact O-N 3.34Å; Y153-L157 HydrophobicContact CD1-CD1 4.2Å; Y153-L157 HydrophobicContact CD1-CG 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.65Å; Y153-L157 HydrophobicContact CE1-CD2 4.29Å; Y153-L157 HydrophobicContact CE1-CG 3.97Å; Y153-L157 HydrophobicContact CE2-CD2 4.44Å; Y153-L157 PolarHBondContact O-N 2.92Å |
| 154 | L | 96.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.1 | -68.7 | 173.7 | 0 | 0 | 0 | 112.1 | L128 F131 M146 V150 A151 G156 L157 V158 | L128-L154 HydrophobicContact CD1-CB 4.38Å; L128-L154 HydrophobicContact CD2-CB 3.9Å; L128-L154 HydrophobicContact CD2-CD1 4.25Å; F131-L154 HydrophobicContact CE1-CD1 4.32Å; M146-L154 HydrophobicContact CE-CD1 4.22Å; V150-L154 HydrophobicContact CG1-CD1 4.29Å; V150-L154 HydrophobicContact CG1-CG 4.48Å; V150-L154 WeakPolarHBondContact O-CG 3.5Å; V150-L154 PolarHBondContact O-N 2.83Å; A151-L154 PolarHBondContact O-N 3.29Å; L154-G156 VanDerWaalsContact C-N 3.3Å; L154-G156 PolarHBondContact O-N 3.08Å; L154-L157 HydrophobicContact CD2-CD1 4.37Å; L154-L157 PolarHBondContact O-N 3.38Å; L154-V158 PolarHBondContact O-N 2.91Å; L154-V158 VanDerWaalsContact O-N 3.11Å |
| 155 | L | 97 | Very high | 95.6 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -37.2 | 171.3 | -74.2 | 171.2 | 0 | 0 | 0 | 112.1 | L66 Y67 A70 I125 L128 A151 C152 Y153 L157 V158 G159 | L66-L155 HydrophobicContact CD1-CD1 4.33Å; L66-L155 HydrophobicContact CD2-CD1 3.82Å; L66-L155 HydrophobicContact CG-CD1 3.83Å; Y67-L155 HydrophobicContact CD1-CD1 4.28Å; Y67-L155 HydrophobicContact CD1-CD2 4.15Å; Y67-L155 HydrophobicContact CD1-CG 4.24Å; Y67-L155 HydrophobicContact CE1-CD1 4.31Å; Y67-L155 HydrophobicContact CE1-CD2 4.31Å; Y67-L155 HydrophobicContact CE1-CG 4.03Å; A70-L155 HydrophobicContact CB-CD2 4.02Å; I125-L155 HydrophobicContact CD1-CD2 3.33Å; L128-L155 HydrophobicContact CD1-CD2 3.8Å; L128-L155 HydrophobicContact CD1-CG 4.27Å; A151-L155 PolarHBondContact O-N 2.92Å; C152-L155 PolarHBondContact O-N 3.22Å; Y153-L155 PolarHBondContact O-N 3.39Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-V158 PolarHBondContact O-N 3.05Å; L155-G159 PolarHBondContact O-N 3.27Å |
| 156 | G | 97.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | C152 Y153 L154 G159 A160 | C152-G156 PolarHBondContact O-N 3.43Å; Y153-G156 CarbonylContact O-C 3.56Å; Y153-G156 WeakPolarHBondContact O-CA 3.11Å; Y153-G156 PolarHBondContact O-N 3.34Å; L154-G156 VanDerWaalsContact C-N 3.3Å; L154-G156 PolarHBondContact O-N 3.08Å; G156-G159 PolarHBondContact O-N 3.49Å; G156-A160 PolarHBondContact O-N 3.06Å |
| 157 | L | 97.5 | Very high | 96 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 173.5 | -68.6 | -178.8 | 0 | 0 | 0 | 112 | Y153 L154 L155 G159 A160 S161 | Y153-L157 HydrophobicContact CD1-CD1 4.2Å; Y153-L157 HydrophobicContact CD1-CG 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.65Å; Y153-L157 HydrophobicContact CE1-CD2 4.29Å; Y153-L157 HydrophobicContact CE1-CG 3.97Å; Y153-L157 HydrophobicContact CE2-CD2 4.44Å; Y153-L157 PolarHBondContact O-N 2.92Å; L154-L157 HydrophobicContact CD2-CD1 4.37Å; L154-L157 PolarHBondContact O-N 3.38Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-A160 PolarHBondContact O-N 3.21Å; L157-S161 PolarHBondContact O-N 2.99Å |
| 158 | V | 97.4 | Very high | 96 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 172.2 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L121 A124 L128 L154 L155 A160 S161 I162 | L121-V158 HydrophobicContact CD2-CG1 3.97Å; A124-V158 HydrophobicContact CB-CB 4.49Å; A124-V158 HydrophobicContact CB-CG1 3.7Å; A124-V158 HydrophobicContact CB-CG2 3.92Å; L128-V158 HydrophobicContact CD1-CG2 4.03Å; L154-V158 PolarHBondContact O-N 2.91Å; L154-V158 VanDerWaalsContact O-N 3.11Å; L155-V158 PolarHBondContact O-N 3.05Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.96Å; V158-S161 PolarHBondContact O-N 2.63Å; V158-S161 PolarHBondContact O-OG 3.32Å; V158-I162 HydrophobicContact CG1-CD1 3.94Å; V158-I162 WeakPolarHBondContact O-CD1 3.34Å; V158-I162 VanDerWaalsContact O-CG1 3.25Å; V158-I162 WeakPolarHBondContact O-CG1 3.38Å; V158-I162 PolarHBondContact O-N 2.88Å |
| 159 | G | 97.2 | Very high | 96 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L155 G156 L157 I162 V163 | L155-G159 PolarHBondContact O-N 3.27Å; G156-G159 PolarHBondContact O-N 3.49Å; L157-G159 VanDerWaalsContact C-N 3.32Å; G159-I162 PolarHBondContact O-N 3.38Å; G159-V163 WeakPolarHBondContact O-CG2 3Å; G159-V163 PolarHBondContact O-N 3.22Å |
| 160 | A | 97.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G156 L157 V158 V163 A164 | G156-A160 PolarHBondContact O-N 3.06Å; L157-A160 PolarHBondContact O-N 3.21Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.96Å; A160-V163 PolarHBondContact O-N 3.23Å; A160-A164 PolarHBondContact O-N 2.93Å |
| 161 | S | 96.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.8 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | L157 V158 A164 D165 Y203 | L157-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-N 2.63Å; V158-S161 PolarHBondContact O-OG 3.32Å; S161-A164 PolarHBondContact O-N 3.29Å; S161-D165 WeakPolarHBondContact O-CB 3.45Å; S161-D165 PolarHBondContact O-N 3.02Å; S161-Y203 WeakPolarHBondContact CB-OH 3.46Å; S161-Y203 PolarHBondContact OG-OH 2.96Å |
| 162 | I | 96.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 172.9 | -68.2 | 158.5 | 0 | 0 | 0 | 111 | C117 I120 L121 V158 G159 A164 D165 V166 | C117-I162 HydrophobicContact CB-CG2 3.8Å; C117-I162 WeakPolarHBondContact SG-CG2 3.47Å; I120-I162 HydrophobicContact CB-CG1 3.9Å; I120-I162 HydrophobicContact CD1-CG1 4.26Å; I120-I162 HydrophobicContact CG2-CD1 4.38Å; I120-I162 HydrophobicContact CG2-CG1 3.63Å; L121-I162 HydrophobicContact CD1-CD1 4.21Å; L121-I162 HydrophobicContact CD2-CD1 3.5Å; L121-I162 HydrophobicContact CG-CD1 3.48Å; L121-I162 VanDerWaalsContact CG-CD1 3.48Å; V158-I162 HydrophobicContact CG1-CD1 3.94Å; V158-I162 WeakPolarHBondContact O-CD1 3.34Å; V158-I162 VanDerWaalsContact O-CG1 3.25Å; V158-I162 WeakPolarHBondContact O-CG1 3.38Å; V158-I162 PolarHBondContact O-N 2.88Å; G159-I162 PolarHBondContact O-N 3.38Å; I162-A164 VanDerWaalsContact C-N 3.29Å; I162-A164 PolarHBondContact O-N 2.91Å; I162-D165 PolarHBondContact O-N 2.83Å; I162-V166 HydrophobicContact CG2-CG2 4.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.36Å; I162-V166 PolarHBondContact O-N 3.34Å |
| 163 | V | 96.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.2 | -43 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | G159 A160 V167 | G159-V163 WeakPolarHBondContact O-CG2 3Å; G159-V163 PolarHBondContact O-N 3.22Å; A160-V163 PolarHBondContact O-N 3.23Å; V163-V167 HydrophobicContact CG1-CG2 4.4Å; V163-V167 WeakPolarHBondContact O-CB 3.4Å; V163-V167 WeakPolarHBondContact O-CG2 3.25Å; V163-V167 PolarHBondContact O-N 3.24Å |
| 164 | A | 96.5 | Very high | 94.4 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A160 S161 I162 V167 Y168 | A160-A164 PolarHBondContact O-N 2.93Å; S161-A164 PolarHBondContact O-N 3.29Å; I162-A164 VanDerWaalsContact C-N 3.29Å; I162-A164 PolarHBondContact O-N 2.91Å; A164-V167 PolarHBondContact O-N 3.02Å; A164-Y168 WeakPolarHBondContact O-CB 3.5Å; A164-Y168 PolarHBondContact O-N 3.45Å |
| 165 | D | 94.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.7 | -43.5 | -179.6 | -166.4 | 71.6 | 0 | 0 | 0 | 112.4 | I116 I120 S161 I162 V167 Y168 C169 Y196 H200 | I116-D165 WeakPolarHBondContact CG2-OD2 3.32Å; I120-D165 HydrophobicContact CD1-CB 3.51Å; I120-D165 WeakPolarHBondContact CD1-OD2 3.37Å; S161-D165 WeakPolarHBondContact O-CB 3.45Å; S161-D165 PolarHBondContact O-N 3.02Å; I162-D165 PolarHBondContact O-N 2.83Å; D165-V167 PolarHBondContact O-N 3.38Å; D165-Y168 WeakPolarHBondContact O-CB 3.45Å; D165-Y168 PolarHBondContact O-N 2.88Å; D165-Y168 VanDerWaalsContact O-N 3.15Å; D165-C169 PolarHBondContact O-N 3.48Å; D165-Y196 PolarHBondContact OD2-OH 2.98Å; D165-H200 IonicContact OD1-ND1 3.78Å; D165-H200 IonicContact OD2-CE1 3.07Å; D165-H200 PolarHBondContact OD2-CE1 2.95Å; D165-H200 VanDerWaalsContact OD2-CE1 3.29Å; D165-H200 IonicContact OD2-ND1 2.62Å; D165-H200 PolarHBondContact OD2-ND1 3.43Å |
| 166 | V | 93.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | I116 I162 Y168 C169 W170 | I116-V166 HydrophobicContact CB-CG2 4.46Å; I116-V166 HydrophobicContact CG2-CG2 3.92Å; I162-V166 HydrophobicContact CG2-CG2 4.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.36Å; I162-V166 PolarHBondContact O-N 3.34Å; V166-Y168 VanDerWaalsContact C-N 3.26Å; V166-Y168 PolarHBondContact O-N 3.21Å; V166-C169 WeakPolarHBondContact O-CB 3.13Å; V166-C169 PolarHBondContact O-N 3.1Å; V166-W170 PolarHBondContact O-N 2.97Å |
| 167 | V | 94.1 | Very high | 92.9 | Very high | 73 Ų | 73 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 176.1 | 167.9 | 0 | 0 | 0 | 0 | 111 | V163 A164 D165 W170 I171 | V163-V167 HydrophobicContact CG1-CG2 4.4Å; V163-V167 WeakPolarHBondContact O-CB 3.4Å; V163-V167 WeakPolarHBondContact O-CG2 3.25Å; V163-V167 PolarHBondContact O-N 3.24Å; A164-V167 PolarHBondContact O-N 3.02Å; D165-V167 PolarHBondContact O-N 3.38Å; V167-W170 PolarHBondContact O-N 3.26Å; V167-I171 HydrophobicContact CG1-CD1 3.62Å; V167-I171 HydrophobicContact CG1-CG1 4.27Å; V167-I171 WeakPolarHBondContact O-CB 3.47Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 3.47Å; V167-I171 PolarHBondContact O-N 3.48Å |
| 168 | Y | 93.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.7 | -177.9 | -145.4 | 0 | 0 | 0 | 112.2 | A164 D165 V166 W170 I171 S172 Y196 F199 | A164-Y168 WeakPolarHBondContact O-CB 3.5Å; A164-Y168 PolarHBondContact O-N 3.45Å; D165-Y168 WeakPolarHBondContact O-CB 3.45Å; D165-Y168 PolarHBondContact O-N 2.88Å; D165-Y168 VanDerWaalsContact O-N 3.15Å; V166-Y168 VanDerWaalsContact C-N 3.26Å; V166-Y168 PolarHBondContact O-N 3.21Å; Y168-W170 VanDerWaalsContact C-N 3.33Å; Y168-W170 PolarHBondContact O-N 3.4Å; Y168-I171 PolarHBondContact O-N 3.37Å; Y168-S172 WeakPolarHBondContact O-CB 3.49Å; Y168-S172 PolarHBondContact O-N 2.98Å; Y168-Y196 AromaticContact CD1-CD2 3.54Å; Y168-Y196 HydrophobicContact CD1-CD2 3.54Å; Y168-Y196 HydrophobicContact CD1-CE2 4.17Å; Y168-Y196 AromaticContact CE1-CD2 3.82Å; Y168-Y196 HydrophobicContact CE1-CD2 3.82Å; Y168-Y196 HydrophobicContact CG-CD2 4.01Å; Y168-F199 HydrophobicContact CD1-CD1 4.07Å; Y168-F199 HydrophobicContact CE1-CB 4.09Å; Y168-F199 AromaticContact CE1-CD1 3.82Å; Y168-F199 HydrophobicContact CE1-CD1 3.82Å; Y168-F199 HydrophobicContact CE1-CG 4.06Å |
| 169 | C | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.5 | -49.4 | 172 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | I116 D165 V166 S172 Y196 | I116-C169 HydrophobicContact CD1-CB 3.98Å; I116-C169 VanDerWaalsContact CD1-SG 3.53Å; D165-C169 PolarHBondContact O-N 3.48Å; V166-C169 WeakPolarHBondContact O-CB 3.13Å; V166-C169 PolarHBondContact O-N 3.1Å; C169-S172 WeakPolarHBondContact O-CB 3.45Å; C169-S172 PolarHBondContact O-N 2.87Å; C169-S172 PolarHBondContact O-OG 3.23Å; C169-Y196 VanDerWaalsContact CA-CE2 3.5Å; C169-Y196 HydrophobicContact CB-CD2 4.17Å; C169-Y196 HydrophobicContact CB-CE1 4.08Å; C169-Y196 HydrophobicContact CB-CE2 3.51Å; C169-Y196 VanDerWaalsContact CB-CZ 3.45Å |
| 170 | W | 91.2 | Very high | 91 | Very high | 81 Ų | 81 | 71 Ų | 71 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 179.4 | -82.8 | 87.8 | 0 | 0 | 0 | 112.6 | L106 V107 V166 V167 Y168 S172 L173 | L106-W170 HydrophobicContact CB-CH2 3.81Å; L106-W170 HydrophobicContact CB-CZ2 3.78Å; L106-W170 HydrophobicContact CB-CZ3 4.43Å; L106-W170 HydrophobicContact CD1-CD2 4.06Å; L106-W170 HydrophobicContact CD1-CE3 4.44Å; L106-W170 HydrophobicContact CD1-CG 4.45Å; L106-W170 HydrophobicContact CD1-CZ2 4.16Å; V107-W170 HydrophobicContact CG2-CH2 3.72Å; V107-W170 HydrophobicContact CG2-CZ3 4.28Å; V166-W170 PolarHBondContact O-N 2.97Å; V167-W170 PolarHBondContact O-N 3.26Å; Y168-W170 VanDerWaalsContact C-N 3.33Å; Y168-W170 PolarHBondContact O-N 3.4Å; W170-S172 VanDerWaalsContact C-N 3.32Å; W170-L173 HydrophobicContact CE3-CD1 4.31Å; W170-L173 WeakPolarHBondContact O-CB 3.34Å; W170-L173 PolarHBondContact O-N 3.46Å |
| 171 | I | 91.2 | Very high | 90.5 | Very high | 84 Ų | 84 | 71.4 Ų | 71.4 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.5 | -70.8 | 169.4 | 0 | 0 | 0 | 110.9 | V167 Y168 L173 Y174 | V167-I171 HydrophobicContact CG1-CD1 3.62Å; V167-I171 HydrophobicContact CG1-CG1 4.27Å; V167-I171 WeakPolarHBondContact O-CB 3.47Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 3.47Å; V167-I171 PolarHBondContact O-N 3.48Å; Y168-I171 PolarHBondContact O-N 3.37Å; I171-L173 PolarHBondContact O-N 3.18Å; I171-Y174 PolarHBondContact O-N 2.9Å; I171-Y174 VanDerWaalsContact O-N 3.07Å |
| 172 | S | 90.2 | Very high | 90 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.5 | -29.3 | -179.7 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | Y168 C169 W170 Y174 M175 V193 | Y168-S172 WeakPolarHBondContact O-CB 3.49Å; Y168-S172 PolarHBondContact O-N 2.98Å; C169-S172 WeakPolarHBondContact O-CB 3.45Å; C169-S172 PolarHBondContact O-N 2.87Å; C169-S172 PolarHBondContact O-OG 3.23Å; W170-S172 VanDerWaalsContact C-N 3.32Å; S172-Y174 PolarHBondContact O-N 3.46Å; S172-M175 WeakPolarHBondContact O-CB 3.31Å; S172-M175 PolarHBondContact O-N 3.34Å; S172-V193 WeakPolarHBondContact O-CG2 3.01Å |
| 173 | L | 87.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -60.2 | -32.3 | 176.8 | -58.8 | -168.4 | 0 | 0 | 0 | 113.3 | P102 L106 W170 I171 M175 L176 Y191 | P102-L173 HydrophobicContact CB-CD2 3.88Å; L106-L173 HydrophobicContact CD1-CD1 3.55Å; L106-L173 HydrophobicContact CD1-CD2 4.38Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CG-CD1 4.19Å; W170-L173 HydrophobicContact CE3-CD1 4.31Å; W170-L173 WeakPolarHBondContact O-CB 3.34Å; W170-L173 PolarHBondContact O-N 3.46Å; I171-L173 PolarHBondContact O-N 3.18Å; L173-M175 PolarHBondContact O-N 2.88Å; L173-L176 HydrophobicContact CD2-CD1 4.41Å; L173-L176 WeakPolarHBondContact O-CB 3.34Å; L173-L176 PolarHBondContact O-N 3.38Å; L173-Y191 WeakPolarHBondContact CD2-O 3.14Å |
| 174 | Y | 86 | Confident | 88.9 | Confident | 193 Ų | 193 | 68.2 Ų | 68.2 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -74.1 | -7.7 | 178.6 | -63.2 | -74.8 | 0 | 0 | 0 | 113.2 | I171 S172 | I171-Y174 PolarHBondContact O-N 2.9Å; I171-Y174 VanDerWaalsContact O-N 3.07Å; S172-Y174 PolarHBondContact O-N 3.46Å |
| 175 | M | 87.2 | Confident | 88.2 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 72% | 0.719 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -90.3 | -10.5 | 174.3 | -55.1 | -65.1 | -177.4 | 0 | 0 | 112 | S172 L173 V193 | S172-M175 WeakPolarHBondContact O-CB 3.31Å; S172-M175 PolarHBondContact O-N 3.34Å; L173-M175 PolarHBondContact O-N 2.88Å; M175-V193 HydrophobicContact CB-CG2 4.16Å |
| 176 | L | 86.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -78.2 | 150.6 | 173.9 | -68 | 167.7 | 0 | 0 | 0 | 110.3 | P102 L173 F180 V193 | P102-L176 HydrophobicContact CB-CD1 4.11Å; P102-L176 HydrophobicContact CG-CD1 3.73Å; L173-L176 HydrophobicContact CD2-CD1 4.41Å; L173-L176 WeakPolarHBondContact O-CB 3.34Å; L173-L176 PolarHBondContact O-N 3.38Å; L176-F180 HydrophobicContact CD1-CD1 4.12Å; L176-F180 HydrophobicContact CD1-CE1 4.3Å; L176-F180 HydrophobicContact CD2-CD1 4.37Å; L176-F180 HydrophobicContact CD2-CE1 4.46Å; L176-V193 HydrophobicContact CD1-CG2 4.41Å; L176-V193 HydrophobicContact CD2-CG2 3.83Å; L176-V193 HydrophobicContact CG-CG2 3.74Å |
| 177 | P | 85.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | trans | -58 | 142.9 | 171.8 | -21.6 | 32.5 | 0 | 0 | 0 | 111.8 | D179 F180 | P177-D179 PolarHBondContact O-N 3.05Å; P177-F180 HydrophobicContact CB-CB 4.37Å; P177-F180 WeakPolarHBondContact O-CB 3.43Å; P177-F180 PolarHBondContact O-N 2.89Å | ||
| 178 | D | 82 | Confident | 85.2 | Confident | 159 Ų | 159 | 69.8 Ų | 69.8 | 85% | 0.85 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.2 | -178.6 | -71.3 | -39.1 | 0 | 0 | 0 | 113.3 | F180 | D178-F180 VanDerWaalsContact C-N 3.31Š|
| 179 | D | 84.6 | Confident | 83.7 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 80% | 0.802 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.6 | 178.7 | -60.7 | -35.3 | 0 | 0 | 0 | 113.1 | P177 V181 | P177-D179 PolarHBondContact O-N 3.05Å; D179-V181 PolarHBondContact O-N 2.92Å |
| 180 | F | 86.9 | Confident | 82.4 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 33% | 0.329 | 40% | 0.398 | S | S | . | . | trans | -71.5 | 116.5 | 179.1 | -174.9 | -101.7 | 0 | 0 | 0 | 110.2 | P102 L176 P177 D178 I182 | P102-F180 VanDerWaalsContact CD-O 3.3Å; P102-F180 WeakPolarHBondContact CD-O 3.5Å; P102-F180 HydrophobicContact CG-CD1 3.59Å; P102-F180 HydrophobicContact CG-CE1 4Å; L176-F180 HydrophobicContact CD1-CD1 4.12Å; L176-F180 HydrophobicContact CD1-CE1 4.3Å; L176-F180 HydrophobicContact CD2-CD1 4.37Å; L176-F180 HydrophobicContact CD2-CE1 4.46Å; P177-F180 HydrophobicContact CB-CB 4.37Å; P177-F180 WeakPolarHBondContact O-CB 3.43Å; P177-F180 PolarHBondContact O-N 2.89Å; D178-F180 VanDerWaalsContact C-N 3.31Å; F180-I182 HydrophobicContact CD1-CG2 4.07Å; F180-I182 HydrophobicContact CE1-CG2 3.35Å; F180-I182 HydrophobicContact CZ-CG2 3.81Å | ||
| 181 | V | 87.4 | Confident | 81.3 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | trans | -117.7 | 147.2 | -179.4 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | E99 D179 | E99-V181 HydrophobicContact CB-CB 4.18Å; D179-V181 PolarHBondContact O-N 2.92Å | ||
| 182 | I | 86.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.7 | -179.4 | 60.4 | 171.2 | 0 | 0 | 0 | 110.3 | E99 L100 C105 F180 L190 | E99-I182 CarbonylContact C-O 3.5Å; E99-I182 WeakPolarHBondContact CA-O 3.47Å; L100-I182 PolarHBondContact N-O 3.25Å; L100-I182 WeakPolarHBondContact O-CG1 3.24Å; L100-I182 PolarHBondContact O-N 2.99Å; C105-I182 HydrophobicContact CB-CD1 3.82Å; F180-I182 HydrophobicContact CD1-CG2 4.07Å; F180-I182 HydrophobicContact CE1-CG2 3.35Å; F180-I182 HydrophobicContact CZ-CG2 3.81Å; I182-L190 HydrophobicContact CB-CB 4.25Å; I182-L190 HydrophobicContact CD1-CB 4.49Å; I182-L190 HydrophobicContact CG2-CB 3.9Å |
| 183 | P | 85.8 | Confident | 80 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 141.3 | 176.2 | -24.7 | 34.9 | 0 | 0 | 0 | 112.4 | T185 C186 L190 | P183-T185 PolarHBondContact O-N 2.64Å; P183-C186 PolarHBondContact O-N 3.29Å; P183-L190 HydrophobicContact CG-CD1 4.34Å |
| 184 | G | 83.2 | Confident | 79.8 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | R88 L92 F98 C186 | R88-G184 PolarHBondContact NH2-O 2.66Å; L92-G184 WeakPolarHBondContact CD1-O 2.74Å; F98-G184 WeakPolarHBondContact O-CA 3.37Å; F98-G184 PolarHBondContact O-N 2.91Å; G184-C186 PolarHBondContact O-N 2.93Å |
| 185 | T | 82.5 | Confident | 79.8 | Confident | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.6 | 171.1 | 57 | 0 | 0 | 0 | 0 | 113 | P183 T187 | P183-T185 PolarHBondContact O-N 2.64Å; T185-T187 PolarHBondContact O-N 3.5Å |
| 186 | C | 82.9 | Confident | 80 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | trans | 58.1 | 49.6 | 171.7 | -81.1 | 0 | 0 | 0 | 0 | 113.3 | C105 A109 L112 P183 G184 | C105-C186 WeakPolarHBondContact CA-SG 3.49Å; C105-C186 HydrophobicContact CB-CB 4.38Å; C105-C186 WeakPolarHBondContact CB-SG 3.47Å; C105-C186 WeakPolarHBondContact SG-CA 3.4Å; C105-C186 WeakPolarHBondContact SG-CB 3.4Å; C105-C186 CovalentContact SG-SG 2.02Å; C105-C186 PolarHBondContact SG-SG 3.44Å; A109-C186 HydrophobicContact CB-CB 3.9Å; L112-C186 HydrophobicContact CD1-CB 4.2Å; P183-C186 PolarHBondContact O-N 3.29Å; G184-C186 PolarHBondContact O-N 2.93Å | ||
| 187 | T | 73.5 | Confident | 80 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | trans | -72 | 146.1 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | T185 A189 L190 | T185-T187 PolarHBondContact O-N 3.5Å; T187-A189 PolarHBondContact O-N 2.91Å; T187-A189 VanDerWaalsContact O-N 3.15Å; T187-L190 PolarHBondContact O-N 3.2Å; T187-L190 WeakPolarHBondContact OG1-CD1 3.45Å | ||
| 188 | A | 63.8 | Low | 80.1 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 50% | 0.504 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115 | L190 Y191 | A188-L190 VanDerWaalsContact C-N 3.25Å; A188-L190 PolarHBondContact O-N 3.5Å; A188-Y191 VanDerWaalsContact CA-CE1 3.45Å; A188-Y191 HydrophobicContact CB-CE1 3.94Å; A188-Y191 WeakPolarHBondContact O-CD1 3.32Å; A188-Y191 WeakPolarHBondContact O-CE1 3.19Å |
| 189 | A | 61.8 | Low | 80.5 | Confident | 78 Ų | 78 | 61 Ų | 61 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | T187 | T187-A189 PolarHBondContact O-N 2.91Å; T187-A189 VanDerWaalsContact O-N 3.15Å |
| 190 | L | 64 | Low | 80.8 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -15.3 | -168 | -65.2 | 175.3 | 0 | 0 | 0 | 114.3 | I182 P183 T187 A188 | I182-L190 HydrophobicContact CB-CB 4.25Å; I182-L190 HydrophobicContact CD1-CB 4.49Å; I182-L190 HydrophobicContact CG2-CB 3.9Å; P183-L190 HydrophobicContact CG-CD1 4.34Å; T187-L190 PolarHBondContact O-N 3.2Å; T187-L190 WeakPolarHBondContact OG1-CD1 3.45Å; A188-L190 VanDerWaalsContact C-N 3.25Å; A188-L190 PolarHBondContact O-N 3.5Å |
| 191 | Y | 67.8 | Low | 80.9 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -89 | -13.9 | -173.6 | 71 | -106.8 | 0 | 0 | 0 | 114.1 | L106 L112 I116 L173 A188 | L106-Y191 HydrophobicContact CD2-CD2 3.75Å; L106-Y191 HydrophobicContact CD2-CE2 3.99Å; L106-Y191 HydrophobicContact CD2-CG 4.09Å; L106-Y191 HydrophobicContact CG-CD2 4.32Å; L112-Y191 HydrophobicContact CB-CE1 4.36Å; L112-Y191 HydrophobicContact CD1-CD1 3.8Å; L112-Y191 HydrophobicContact CD1-CE1 3.94Å; L112-Y191 HydrophobicContact CD1-CG 4.49Å; L112-Y191 HydrophobicContact CD2-CE1 3.98Å; L112-Y191 HydrophobicContact CG-CE1 4.32Å; I116-Y191 HydrophobicContact CD1-CE2 4.48Å; L173-Y191 WeakPolarHBondContact CD2-O 3.14Å; A188-Y191 VanDerWaalsContact CA-CE1 3.45Å; A188-Y191 HydrophobicContact CB-CE1 3.94Å; A188-Y191 WeakPolarHBondContact O-CD1 3.32Å; A188-Y191 WeakPolarHBondContact O-CE1 3.19Å |
| 192 | S | 73.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -122.5 | 153.3 | -174.5 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 193 | V | 81.3 | Confident | 81.4 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | trans | -67.7 | 140.5 | 172.6 | -177 | 0 | 0 | 0 | 0 | 110.3 | S172 M175 L176 D195 Y196 D197 | S172-V193 WeakPolarHBondContact O-CG2 3.01Å; M175-V193 HydrophobicContact CB-CG2 4.16Å; L176-V193 HydrophobicContact CD1-CG2 4.41Å; L176-V193 HydrophobicContact CD2-CG2 3.83Å; L176-V193 HydrophobicContact CG-CG2 3.74Å; V193-D195 HydrophobicContact CG1-CB 4.26Å; V193-D195 PolarHBondContact O-N 3.28Å; V193-D195 VanDerWaalsContact O-N 3.11Å; V193-Y196 WeakPolarHBondContact O-CB 3.44Å; V193-Y196 PolarHBondContact O-N 2.96Å; V193-D197 PolarHBondContact O-N 2.87Å; V193-D197 VanDerWaalsContact O-N 3.16Å | ||
| 194 | D | 83.1 | Confident | 81.6 | Confident | 128 Ų | 128 | 53.7 Ų | 53.7 | 68% | 0.684 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -50 | -38.6 | 179.7 | -65.3 | -28.2 | 0 | 0 | 0 | 113.2 | D197 F198 | D194-D197 PolarHBondContact O-N 2.64Å; D194-F198 VanDerWaalsContact O-CB 3.3Å; D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 3.49Å |
| 195 | D | 86.5 | Confident | 81.9 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 178.3 | -75.3 | -21.2 | 0 | 0 | 0 | 112.9 | V193 F199 | V193-D195 HydrophobicContact CG1-CB 4.26Å; V193-D195 PolarHBondContact O-N 3.28Å; V193-D195 VanDerWaalsContact O-N 3.11Å; D195-F199 WeakPolarHBondContact O-CB 3.18Å; D195-F199 PolarHBondContact O-N 3.14Å |
| 196 | Y | 90.4 | Very high | 82.3 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 176.2 | 159 | -92.4 | 0 | 0 | 0 | 109.9 | D165 Y168 C169 V193 F198 F199 H200 | D165-Y196 PolarHBondContact OD2-OH 2.98Å; Y168-Y196 AromaticContact CD1-CD2 3.54Å; Y168-Y196 HydrophobicContact CD1-CD2 3.54Å; Y168-Y196 HydrophobicContact CD1-CE2 4.17Å; Y168-Y196 AromaticContact CE1-CD2 3.82Å; Y168-Y196 HydrophobicContact CE1-CD2 3.82Å; Y168-Y196 HydrophobicContact CG-CD2 4.01Å; C169-Y196 VanDerWaalsContact CA-CE2 3.5Å; C169-Y196 HydrophobicContact CB-CD2 4.17Å; C169-Y196 HydrophobicContact CB-CE1 4.08Å; C169-Y196 HydrophobicContact CB-CE2 3.51Å; C169-Y196 VanDerWaalsContact CB-CZ 3.45Å; V193-Y196 WeakPolarHBondContact O-CB 3.44Å; V193-Y196 PolarHBondContact O-N 2.96Å; Y196-F198 VanDerWaalsContact C-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.3Å; Y196-F199 PolarHBondContact O-N 3.37Å; Y196-F199 VanDerWaalsContact O-N 3.11Å; Y196-H200 HydrophobicContact CE1-CB 4.35Å; Y196-H200 HydrophobicContact CE2-CB 4.35Å; Y196-H200 WeakPolarHBondContact O-CB 3.38Å; Y196-H200 PolarHBondContact O-N 3.37Å |
| 197 | D | 86.9 | Confident | 82.7 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | -176.1 | -173.8 | 27.9 | 0 | 0 | 0 | 110.9 | V193 D194 R201 | V193-D197 PolarHBondContact O-N 2.87Å; V193-D197 VanDerWaalsContact O-N 3.16Å; D194-D197 PolarHBondContact O-N 2.64Å; D197-R201 WeakPolarHBondContact O-CB 3.36Å; D197-R201 WeakPolarHBondContact O-CG 3.48Å; D197-R201 PolarHBondContact O-N 3.38Å; D197-R201 IonicContact OD1-CZ 3.29Å; D197-R201 IonicContact OD1-NH1 3.03Å; D197-R201 PolarHBondContact OD1-NH1 3.48Å; D197-R201 IonicContact OD1-NH2 2.77Å; D197-R201 IonicContact OD2-CZ 2.91Å; D197-R201 IonicContact OD2-NH1 3.19Å; D197-R201 PolarHBondContact OD2-NH1 3.27Å; D197-R201 IonicContact OD2-NH2 3.6Å; D197-R201 PolarHBondContact OD2-NH2 2.97Å |
| 198 | F | 87.7 | Confident | 83.3 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 169.8 | -179.7 | -99 | 0 | 0 | 0 | 112.3 | D194 Y196 H200 R201 V202 F266 | D194-F198 VanDerWaalsContact O-CB 3.3Å; D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 3.49Å; Y196-F198 VanDerWaalsContact C-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.3Å; F198-H200 PolarHBondContact O-N 2.9Å; F198-R201 PolarHBondContact O-N 3.35Å; F198-V202 HydrophobicContact CD1-CG2 4.21Å; F198-V202 HydrophobicContact CD2-CG2 4.48Å; F198-V202 HydrophobicContact CE1-CG2 3.81Å; F198-V202 HydrophobicContact CE2-CG2 4.1Å; F198-V202 HydrophobicContact CZ-CG2 3.75Å; F198-V202 VanDerWaalsContact O-CG2 3.3Å; F198-V202 WeakPolarHBondContact O-CG2 3.19Å; F198-V202 PolarHBondContact O-N 3.12Å; F198-F266 HydrophobicContact CD2-CE1 4.29Å; F198-F266 HydrophobicContact CE2-CD1 4.35Å; F198-F266 AromaticContact CE2-CE1 3.88Å; F198-F266 HydrophobicContact CE2-CE1 3.88Å |
| 199 | F | 90.9 | Very high | 84.6 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | -179.9 | -179.1 | -92.7 | 0 | 0 | 0 | 112.2 | Y168 D195 Y196 V202 Y203 | Y168-F199 HydrophobicContact CD1-CD1 4.07Å; Y168-F199 HydrophobicContact CE1-CB 4.09Å; Y168-F199 AromaticContact CE1-CD1 3.82Å; Y168-F199 HydrophobicContact CE1-CD1 3.82Å; Y168-F199 HydrophobicContact CE1-CG 4.06Å; D195-F199 WeakPolarHBondContact O-CB 3.18Å; D195-F199 PolarHBondContact O-N 3.14Å; Y196-F199 PolarHBondContact O-N 3.37Å; Y196-F199 VanDerWaalsContact O-N 3.11Å; F199-V202 PolarHBondContact O-N 2.81Å; F199-Y203 WeakPolarHBondContact O-CB 3.4Å; F199-Y203 PolarHBondContact O-N 3.39Å |
| 200 | H | 91.2 | Very high | 85.9 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 177.3 | -179 | 85.6 | 0 | 0 | 0 | 110.8 | D165 Y196 F198 V202 Y203 L204 | D165-H200 IonicContact OD1-ND1 3.78Å; D165-H200 IonicContact OD2-CE1 3.07Å; D165-H200 PolarHBondContact OD2-CE1 2.95Å; D165-H200 VanDerWaalsContact OD2-CE1 3.29Å; D165-H200 IonicContact OD2-ND1 2.62Å; D165-H200 PolarHBondContact OD2-ND1 3.43Å; Y196-H200 HydrophobicContact CE1-CB 4.35Å; Y196-H200 HydrophobicContact CE2-CB 4.35Å; Y196-H200 WeakPolarHBondContact O-CB 3.38Å; Y196-H200 PolarHBondContact O-N 3.37Å; F198-H200 PolarHBondContact O-N 2.9Å; H200-V202 PolarHBondContact O-N 3.37Å; H200-Y203 WeakPolarHBondContact O-CB 3.12Å; H200-Y203 PolarHBondContact O-N 2.86Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.49Å; H200-L204 WeakPolarHBondContact O-CG 3.39Å; H200-L204 PolarHBondContact O-N 2.87Å |
| 201 | R | 87.9 | Confident | 87.1 | Confident | 75 Ų | 75 | 51 Ų | 51 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.3 | -78.3 | -170.1 | -76.5 | -101.9 | -0.5 | 113.1 | D197 F198 Y203 L204 T205 F266 | D197-R201 WeakPolarHBondContact O-CB 3.36Å; D197-R201 WeakPolarHBondContact O-CG 3.48Å; D197-R201 PolarHBondContact O-N 3.38Å; D197-R201 IonicContact OD1-CZ 3.29Å; D197-R201 IonicContact OD1-NH1 3.03Å; D197-R201 PolarHBondContact OD1-NH1 3.48Å; D197-R201 IonicContact OD1-NH2 2.77Å; D197-R201 IonicContact OD2-CZ 2.91Å; D197-R201 IonicContact OD2-NH1 3.19Å; D197-R201 PolarHBondContact OD2-NH1 3.27Å; D197-R201 IonicContact OD2-NH2 3.6Å; D197-R201 PolarHBondContact OD2-NH2 2.97Å; F198-R201 PolarHBondContact O-N 3.35Å; R201-Y203 VanDerWaalsContact C-N 3.29Å; R201-Y203 PolarHBondContact O-N 3.33Å; R201-L204 PolarHBondContact O-N 3.47Å; R201-T205 VanDerWaalsContact O-CB 3.28Å; R201-T205 WeakPolarHBondContact O-CB 3.33Å; R201-T205 PolarHBondContact O-N 3.3Å; R201-T205 PolarHBondContact O-OG1 3.05Å; R201-F266 HydrophobicContact CB-CZ 4.15Å |
| 202 | V | 90.9 | Very high | 87.9 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 30% | 0.297 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.8 | 169 | 0 | 0 | 0 | 0 | 110.6 | F198 F199 H200 T205 T206 F266 | F198-V202 HydrophobicContact CD1-CG2 4.21Å; F198-V202 HydrophobicContact CD2-CG2 4.48Å; F198-V202 HydrophobicContact CE1-CG2 3.81Å; F198-V202 HydrophobicContact CE2-CG2 4.1Å; F198-V202 HydrophobicContact CZ-CG2 3.75Å; F198-V202 VanDerWaalsContact O-CG2 3.3Å; F198-V202 WeakPolarHBondContact O-CG2 3.19Å; F198-V202 PolarHBondContact O-N 3.12Å; F199-V202 PolarHBondContact O-N 2.81Å; H200-V202 PolarHBondContact O-N 3.37Å; V202-T205 PolarHBondContact O-N 3.28Å; V202-T206 WeakPolarHBondContact O-CB 3.09Å; V202-T206 PolarHBondContact O-N 3.02Å; V202-T206 PolarHBondContact O-OG1 2.71Å; V202-F266 HydrophobicContact CG2-CE1 3.81Å; V202-F266 HydrophobicContact CG2-CZ 3.75Å |
| 203 | Y | 92.6 | Very high | 88.6 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -51.2 | 177.6 | 179.3 | -117.1 | 0 | 0 | 0 | 112 | I120 S161 F199 H200 R201 T205 T206 L207 | I120-Y203 HydrophobicContact CD1-CD1 4.4Å; I120-Y203 HydrophobicContact CD1-CE1 4.03Å; I120-Y203 HydrophobicContact CG1-CD1 4.33Å; I120-Y203 HydrophobicContact CG1-CE1 4.04Å; I120-Y203 HydrophobicContact CG2-CE1 4.06Å; S161-Y203 WeakPolarHBondContact CB-OH 3.46Å; S161-Y203 PolarHBondContact OG-OH 2.96Å; F199-Y203 WeakPolarHBondContact O-CB 3.4Å; F199-Y203 PolarHBondContact O-N 3.39Å; H200-Y203 WeakPolarHBondContact O-CB 3.12Å; H200-Y203 PolarHBondContact O-N 2.86Å; R201-Y203 VanDerWaalsContact C-N 3.29Å; R201-Y203 PolarHBondContact O-N 3.33Å; Y203-T205 VanDerWaalsContact C-N 3.31Å; Y203-T205 PolarHBondContact O-N 3.24Å; Y203-T206 PolarHBondContact O-N 2.78Å; Y203-L207 HydrophobicContact CD1-CD1 4.18Å; Y203-L207 HydrophobicContact CE1-CD1 3.64Å; Y203-L207 HydrophobicContact CE2-CD1 4.08Å; Y203-L207 HydrophobicContact CE2-CD2 4.4Å; Y203-L207 HydrophobicContact CE2-CG 4.15Å; Y203-L207 WeakPolarHBondContact O-CG 3.5Å; Y203-L207 PolarHBondContact O-N 3.36Å |
| 204 | L | 90.9 | Very high | 89 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.2 | -67.9 | -178.6 | 0 | 0 | 0 | 112.4 | D119 I120 V123 H200 R201 L207 S208 L262 | D119-L204 HydrophobicContact CB-CD1 3.94Å; D119-L204 HydrophobicContact CB-CD2 4.15Å; I120-L204 HydrophobicContact CB-CD2 4.46Å; I120-L204 HydrophobicContact CG1-CD2 3.92Å; V123-L204 HydrophobicContact CG2-CD2 4.28Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.49Å; H200-L204 WeakPolarHBondContact O-CG 3.39Å; H200-L204 PolarHBondContact O-N 2.87Å; R201-L204 PolarHBondContact O-N 3.47Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-S208 WeakPolarHBondContact O-CB 3.31Å; L204-S208 PolarHBondContact O-N 3.06Å; L204-S208 PolarHBondContact O-OG 3.47Å; L204-L262 HydrophobicContact CB-CD1 3.99Å; L204-L262 HydrophobicContact CB-CD2 4.31Å; L204-L262 HydrophobicContact CD1-CD2 4.3Å |
| 205 | T | 88.7 | Confident | 89 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | R201 V202 Y203 L207 S208 Y209 T263 F266 | R201-T205 VanDerWaalsContact O-CB 3.28Å; R201-T205 WeakPolarHBondContact O-CB 3.33Å; R201-T205 PolarHBondContact O-N 3.3Å; R201-T205 PolarHBondContact O-OG1 3.05Å; V202-T205 PolarHBondContact O-N 3.28Å; Y203-T205 VanDerWaalsContact C-N 3.31Å; Y203-T205 PolarHBondContact O-N 3.24Å; T205-L207 PolarHBondContact O-N 3.06Å; T205-S208 WeakPolarHBondContact O-CB 3.29Å; T205-S208 PolarHBondContact O-N 3.39Å; T205-S208 VanDerWaalsContact O-N 3.17Å; T205-Y209 HydrophobicContact CG2-CD2 3.74Å; T205-Y209 HydrophobicContact CG2-CE2 3.59Å; T205-Y209 VanDerWaalsContact O-CD2 3.24Å; T205-Y209 WeakPolarHBondContact O-CD2 3.23Å; T205-Y209 PolarHBondContact O-N 3.37Å; T205-T263 HydrophobicContact CG2-CG2 4.33Å; T205-F266 HydrophobicContact CG2-CE2 4.1Å; T205-F266 WeakPolarHBondContact OG1-CE2 3.25Å |
| 206 | T | 91.2 | Very high | 88.9 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 177 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | V202 Y203 S208 Y209 C210 | V202-T206 WeakPolarHBondContact O-CB 3.09Å; V202-T206 PolarHBondContact O-N 3.02Å; V202-T206 PolarHBondContact O-OG1 2.71Å; Y203-T206 PolarHBondContact O-N 2.78Å; T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 PolarHBondContact O-N 3.48Å; T206-Y209 PolarHBondContact O-N 2.88Å; T206-C210 PolarHBondContact O-N 3.41Å; T206-C210 PolarHBondContact O-SG 3.13Å |
| 207 | L | 91.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 175 | -72 | 179 | 0 | 0 | 0 | 111.6 | V123 A124 V127 Y203 L204 T205 Y209 C210 A211 | V123-L207 HydrophobicContact CB-CB 4.32Å; V123-L207 HydrophobicContact CG1-CB 3.49Å; V123-L207 VanDerWaalsContact CG1-CB 3.49Å; A124-L207 HydrophobicContact CB-CD1 4.36Å; V127-L207 HydrophobicContact CG2-CB 4.29Å; V127-L207 WeakPolarHBondContact CG2-O 3.36Å; Y203-L207 HydrophobicContact CD1-CD1 4.18Å; Y203-L207 HydrophobicContact CE1-CD1 3.64Å; Y203-L207 HydrophobicContact CE2-CD1 4.08Å; Y203-L207 HydrophobicContact CE2-CD2 4.4Å; Y203-L207 HydrophobicContact CE2-CG 4.15Å; Y203-L207 WeakPolarHBondContact O-CG 3.5Å; Y203-L207 PolarHBondContact O-N 3.36Å; L204-L207 PolarHBondContact O-N 3.27Å; T205-L207 PolarHBondContact O-N 3.06Å; L207-Y209 VanDerWaalsContact C-N 3.34Å; L207-Y209 PolarHBondContact O-N 3.18Å; L207-C210 WeakPolarHBondContact O-CB 3.47Å; L207-C210 PolarHBondContact O-N 3.39Å; L207-C210 VanDerWaalsContact O-N 3.14Å; L207-A211 PolarHBondContact O-N 2.91Å |
| 208 | S | 87.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | V123 L204 T205 T206 A211 L212 | V123-S208 VanDerWaalsContact CG1-N 3.29Å; V123-S208 VanDerWaalsContact CG1-OG 3.23Å; V123-S208 WeakPolarHBondContact CG1-OG 3.35Å; L204-S208 WeakPolarHBondContact O-CB 3.31Å; L204-S208 PolarHBondContact O-N 3.06Å; L204-S208 PolarHBondContact O-OG 3.47Å; T205-S208 WeakPolarHBondContact O-CB 3.29Å; T205-S208 PolarHBondContact O-N 3.39Å; T205-S208 VanDerWaalsContact O-N 3.17Å; T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 PolarHBondContact O-N 3.48Å; S208-A211 WeakPolarHBondContact O-CB 3.07Å; S208-A211 PolarHBondContact O-N 3.45Å; S208-L212 PolarHBondContact O-N 3.12Å; S208-L212 VanDerWaalsContact O-N 3.08Å |
| 209 | Y | 89.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.9 | -33.1 | 173.7 | -80.4 | -65.5 | 0 | 0 | 0 | 113.5 | T205 T206 L207 L212 A213 T263 | T205-Y209 HydrophobicContact CG2-CD2 3.74Å; T205-Y209 HydrophobicContact CG2-CE2 3.59Å; T205-Y209 VanDerWaalsContact O-CD2 3.24Å; T205-Y209 WeakPolarHBondContact O-CD2 3.23Å; T205-Y209 PolarHBondContact O-N 3.37Å; T206-Y209 PolarHBondContact O-N 2.88Å; L207-Y209 VanDerWaalsContact C-N 3.34Å; L207-Y209 PolarHBondContact O-N 3.18Å; Y209-L212 HydrophobicContact CD1-CD2 4.1Å; Y209-L212 HydrophobicContact CE1-CD2 4.4Å; Y209-L212 WeakPolarHBondContact O-CB 3.41Å; Y209-L212 PolarHBondContact O-N 3.26Å; Y209-A213 WeakPolarHBondContact O-CB 3.26Å; Y209-A213 PolarHBondContact O-N 2.87Å; Y209-T263 HydrophobicContact CE2-CG2 3.66Å; Y209-T263 WeakPolarHBondContact OH-CG2 3.43Å |
| 210 | C | 90.7 | Very high | 88.2 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 171.2 | -76.1 | 0 | 0 | 0 | 0 | 111.5 | V127 T206 L207 L212 A213 F214 | V127-C210 HydrophobicContact CG1-CB 4.46Å; V127-C210 HydrophobicContact CG2-CB 4.46Å; T206-C210 PolarHBondContact O-N 3.41Å; T206-C210 PolarHBondContact O-SG 3.13Å; L207-C210 WeakPolarHBondContact O-CB 3.47Å; L207-C210 PolarHBondContact O-N 3.39Å; L207-C210 VanDerWaalsContact O-N 3.14Å; C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.95Å; C210-A213 PolarHBondContact O-N 3.48Å; C210-F214 HydrophobicContact CB-CE2 4.45Å; C210-F214 WeakPolarHBondContact O-CD2 3.37Å; C210-F214 PolarHBondContact O-N 3.37Å |
| 211 | A | 87.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | V127 L207 S208 A213 F214 Y215 | V127-A211 HydrophobicContact CB-CB 4.39Å; V127-A211 HydrophobicContact CG2-CB 3.7Å; L207-A211 PolarHBondContact O-N 2.91Å; S208-A211 WeakPolarHBondContact O-CB 3.07Å; S208-A211 PolarHBondContact O-N 3.45Å; A211-A213 PolarHBondContact O-N 3.36Å; A211-F214 PolarHBondContact O-N 2.94Å; A211-Y215 VanDerWaalsContact O-CB 3.3Å; A211-Y215 WeakPolarHBondContact O-CB 3.15Å; A211-Y215 PolarHBondContact O-N 3.16Å |
| 212 | L | 84.8 | Confident | 87.5 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.7 | -51.8 | 174.9 | -179.2 | 43.3 | 0 | 0 | 0 | 111.8 | S208 Y209 C210 F214 Y215 A216 L255 | S208-L212 PolarHBondContact O-N 3.12Å; S208-L212 VanDerWaalsContact O-N 3.08Å; Y209-L212 HydrophobicContact CD1-CD2 4.1Å; Y209-L212 HydrophobicContact CE1-CD2 4.4Å; Y209-L212 WeakPolarHBondContact O-CB 3.41Å; Y209-L212 PolarHBondContact O-N 3.26Å; C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.95Å; L212-F214 PolarHBondContact O-N 3.45Å; L212-Y215 PolarHBondContact O-N 3.36Å; L212-A216 WeakPolarHBondContact O-CB 3.24Å; L212-A216 PolarHBondContact O-N 2.8Å; L212-L255 HydrophobicContact CB-CD2 3.52Å; L212-L255 HydrophobicContact CD1-CD1 3.55Å; L212-L255 HydrophobicContact CD1-CD2 3.42Å; L212-L255 VanDerWaalsContact CD1-CD2 3.42Å; L212-L255 HydrophobicContact CD1-CG 4.12Å; L212-L255 HydrophobicContact CD2-CD2 3.7Å; L212-L255 HydrophobicContact CG-CD2 3.67Å |
| 213 | A | 89.2 | Confident | 87.1 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y209 C210 A211 Y215 G217 | Y209-A213 WeakPolarHBondContact O-CB 3.26Å; Y209-A213 PolarHBondContact O-N 2.87Å; C210-A213 PolarHBondContact O-N 3.48Å; A211-A213 PolarHBondContact O-N 3.36Å; A213-Y215 VanDerWaalsContact C-N 3.31Å; A213-Y215 PolarHBondContact O-N 3.39Å; A213-G217 PolarHBondContact O-N 3.35Å |
| 214 | F | 89.9 | Confident | 86.6 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.2 | -70.7 | -47.8 | 0 | 0 | 0 | 112 | V127 F131 F134 C210 A211 L212 G217 A218 | V127-F214 HydrophobicContact CG1-CD2 4.19Å; V127-F214 HydrophobicContact CG1-CE2 4.07Å; F131-F214 HydrophobicContact CB-CD2 4.02Å; F131-F214 HydrophobicContact CB-CE2 4.25Å; F131-F214 HydrophobicContact CB-CG 4.33Å; F131-F214 AromaticContact CD2-CD1 3.96Å; F131-F214 HydrophobicContact CD2-CD1 3.96Å; F131-F214 HydrophobicContact CD2-CD2 4.26Å; F131-F214 AromaticContact CD2-CE1 3.63Å; F131-F214 HydrophobicContact CD2-CE1 3.63Å; F131-F214 AromaticContact CD2-CE2 3.94Å; F131-F214 HydrophobicContact CD2-CE2 3.94Å; F131-F214 HydrophobicContact CD2-CG 4.28Å; F131-F214 AromaticContact CD2-CZ 3.63Å; F131-F214 HydrophobicContact CD2-CZ 3.63Å; F131-F214 HydrophobicContact CE2-CE1 4.09Å; F131-F214 HydrophobicContact CE2-CZ 4.12Å; F131-F214 HydrophobicContact CG-CE2 4.47Å; F134-F214 HydrophobicContact CB-CB 4.15Å; F134-F214 HydrophobicContact CB-CD1 4.4Å; F134-F214 AromaticContact CD1-CD1 3.89Å; F134-F214 HydrophobicContact CD1-CD1 3.89Å; F134-F214 HydrophobicContact CD1-CE1 4.44Å; F134-F214 WeakPolarHBondContact CD2-O 3.33Å; F134-F214 HydrophobicContact CE1-CD1 4.38Å; F134-F214 HydrophobicContact CG-CD1 4.14Å; C210-F214 HydrophobicContact CB-CE2 4.45Å; C210-F214 WeakPolarHBondContact O-CD2 3.37Å; C210-F214 PolarHBondContact O-N 3.37Å; A211-F214 PolarHBondContact O-N 2.94Å; L212-F214 PolarHBondContact O-N 3.45Å; F214-G217 PolarHBondContact O-N 2.94Å; F214-A218 WeakPolarHBondContact O-CB 3.38Å; F214-A218 PolarHBondContact O-N 3.41Å |
| 215 | Y | 82.8 | Confident | 85.8 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 179.9 | 175.4 | -104 | 0 | 0 | 0 | 112.9 | A211 L212 A213 G217 A218 L219 S248 I251 L255 | A211-Y215 VanDerWaalsContact O-CB 3.3Å; A211-Y215 WeakPolarHBondContact O-CB 3.15Å; A211-Y215 PolarHBondContact O-N 3.16Å; L212-Y215 PolarHBondContact O-N 3.36Å; A213-Y215 VanDerWaalsContact C-N 3.31Å; A213-Y215 PolarHBondContact O-N 3.39Å; Y215-G217 VanDerWaalsContact C-N 3.26Å; Y215-G217 PolarHBondContact O-N 2.98Å; Y215-A218 WeakPolarHBondContact O-CB 3.36Å; Y215-A218 PolarHBondContact O-N 3.22Å; Y215-L219 HydrophobicContact CD1-CD1 4.3Å; Y215-L219 HydrophobicContact CE1-CD1 3.47Å; Y215-L219 VanDerWaalsContact CE1-CD1 3.47Å; Y215-L219 HydrophobicContact CE1-CG 3.97Å; Y215-L219 HydrophobicContact CE2-CD1 4.47Å; Y215-L219 HydrophobicContact CE2-CD2 4.32Å; Y215-L219 HydrophobicContact CE2-CG 4.15Å; Y215-L219 PolarHBondContact O-N 3.05Å; Y215-L219 WeakPolarHBondContact OH-CD1 3.4Å; Y215-S248 WeakPolarHBondContact OH-CA 3.07Å; Y215-S248 WeakPolarHBondContact OH-CB 3.34Å; Y215-I251 HydrophobicContact CD1-CG2 3.8Å; Y215-I251 HydrophobicContact CD2-CB 4.09Å; Y215-I251 HydrophobicContact CD2-CD1 3.35Å; Y215-I251 HydrophobicContact CD2-CG1 4.31Å; Y215-I251 HydrophobicContact CD2-CG2 3.9Å; Y215-I251 HydrophobicContact CE1-CG2 4.39Å; Y215-I251 HydrophobicContact CE2-CB 4.31Å; Y215-I251 HydrophobicContact CE2-CD1 3.85Å; Y215-I251 HydrophobicContact CE2-CG2 4.48Å; Y215-I251 HydrophobicContact CG-CB 4.21Å; Y215-I251 HydrophobicContact CG-CD1 4.08Å; Y215-I251 HydrophobicContact CG-CG2 3.52Å; Y215-L255 HydrophobicContact CD1-CD1 4.47Å |
| 216 | A | 85.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L212 A218 L219 L220 | L212-A216 WeakPolarHBondContact O-CB 3.24Å; L212-A216 PolarHBondContact O-N 2.8Å; A216-A218 VanDerWaalsContact C-N 3.31Å; A216-A218 PolarHBondContact O-N 2.99Å; A216-L219 PolarHBondContact O-N 3.26Å; A216-L220 WeakPolarHBondContact O-CB 3.39Å; A216-L220 VanDerWaalsContact O-CG 3.28Å; A216-L220 WeakPolarHBondContact O-CG 3.38Å; A216-L220 PolarHBondContact O-N 2.96Å |
| 217 | G | 87.7 | Confident | 83.2 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -41 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A213 F214 Y215 A221 | A213-G217 PolarHBondContact O-N 3.35Å; F214-G217 PolarHBondContact O-N 2.94Å; Y215-G217 VanDerWaalsContact C-N 3.26Å; Y215-G217 PolarHBondContact O-N 2.98Å; G217-A221 WeakPolarHBondContact O-CB 3.44Å; G217-A221 PolarHBondContact O-N 2.92Å |
| 218 | A | 84.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F134 F214 Y215 A216 A221 I222 | F134-A218 HydrophobicContact CB-CB 4.39Å; F134-A218 HydrophobicContact CD2-CB 4.45Å; F214-A218 WeakPolarHBondContact O-CB 3.38Å; F214-A218 PolarHBondContact O-N 3.41Å; Y215-A218 WeakPolarHBondContact O-CB 3.36Å; Y215-A218 PolarHBondContact O-N 3.22Å; A216-A218 VanDerWaalsContact C-N 3.31Å; A216-A218 PolarHBondContact O-N 2.99Å; A218-A221 PolarHBondContact O-N 3.44Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.28Å; A218-I222 PolarHBondContact O-N 3.33Å |
| 219 | L | 83.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 175.9 | -73.2 | -175.2 | 0 | 0 | 0 | 112.2 | Y215 A216 A221 I222 V223 | Y215-L219 HydrophobicContact CD1-CD1 4.3Å; Y215-L219 HydrophobicContact CE1-CD1 3.47Å; Y215-L219 VanDerWaalsContact CE1-CD1 3.47Å; Y215-L219 HydrophobicContact CE1-CG 3.97Å; Y215-L219 HydrophobicContact CE2-CD1 4.47Å; Y215-L219 HydrophobicContact CE2-CD2 4.32Å; Y215-L219 HydrophobicContact CE2-CG 4.15Å; Y215-L219 PolarHBondContact O-N 3.05Å; Y215-L219 WeakPolarHBondContact OH-CD1 3.4Å; A216-L219 PolarHBondContact O-N 3.26Å; L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 3.41Å; L219-I222 WeakPolarHBondContact O-CB 3.26Å; L219-I222 PolarHBondContact O-N 3.43Å; L219-I222 VanDerWaalsContact O-N 3.13Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.92Å |
| 220 | L | 85.7 | Confident | 78.8 | Confident | 114 Ų | 114 | 71.9 Ų | 71.9 | 60% | 0.597 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 177.2 | -72.2 | 172 | 0 | 0 | 0 | 110.6 | A216 I222 V223 C224 | A216-L220 WeakPolarHBondContact O-CB 3.39Å; A216-L220 VanDerWaalsContact O-CG 3.28Å; A216-L220 WeakPolarHBondContact O-CG 3.38Å; A216-L220 PolarHBondContact O-N 2.96Å; L220-I222 PolarHBondContact O-N 2.92Å; L220-V223 PolarHBondContact O-N 2.98Å; L220-C224 VanDerWaalsContact O-CB 3.32Å; L220-C224 WeakPolarHBondContact O-CB 3.41Å; L220-C224 PolarHBondContact O-N 3.23Å; L220-C224 PolarHBondContact O-SG 2.97Å |
| 221 | A | 83.3 | Confident | 77.8 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V137 M138 G217 A218 L219 R225 | V137-A221 HydrophobicContact CB-CB 4.47Å; V137-A221 HydrophobicContact CG1-CB 3.5Å; V137-A221 VanDerWaalsContact CG1-CB 3.5Å; M138-A221 HydrophobicContact CG-CB 4.32Å; M138-A221 HydrophobicContact SD-CB 3.58Å; M138-A221 VanDerWaalsContact SD-CB 3.58Å; G217-A221 WeakPolarHBondContact O-CB 3.44Å; G217-A221 PolarHBondContact O-N 2.92Å; A218-A221 PolarHBondContact O-N 3.44Å; L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 3.41Å; A221-R225 VanDerWaalsContact O-CB 3.26Å; A221-R225 WeakPolarHBondContact O-CB 3.48Å; A221-R225 VanDerWaalsContact O-CG 3.27Å; A221-R225 WeakPolarHBondContact O-CG 3.45Å; A221-R225 PolarHBondContact O-N 3.21Å |
| 222 | I | 80.4 | Confident | 76.7 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 21% | 0.205 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.2 | -48 | 173 | -70.4 | 165.2 | 0 | 0 | 0 | 110.4 | V137 A218 L219 L220 R225 R226 A241 T244 | V137-I222 HydrophobicContact CG1-CG1 3.78Å; V137-I222 HydrophobicContact CG2-CD1 4.16Å; V137-I222 HydrophobicContact CG2-CG1 3.9Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.28Å; A218-I222 PolarHBondContact O-N 3.33Å; L219-I222 WeakPolarHBondContact O-CB 3.26Å; L219-I222 PolarHBondContact O-N 3.43Å; L219-I222 VanDerWaalsContact O-N 3.13Å; L220-I222 PolarHBondContact O-N 2.92Å; I222-R225 PolarHBondContact O-N 2.96Å; I222-R226 PolarHBondContact O-N 3.13Å; I222-A241 HydrophobicContact CD1-CB 4.3Å; I222-A241 HydrophobicContact CG2-CB 4.11Å; I222-T244 HydrophobicContact CD1-CG2 3.87Å |
| 223 | V | 81.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 82 Ų | 82 | 64% | 0.642 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.1 | -50.1 | -178.2 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L219 L220 R225 R226 | L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.92Å; L220-V223 PolarHBondContact O-N 2.98Å; V223-R225 VanDerWaalsContact C-N 3.25Å; V223-R225 PolarHBondContact O-N 3.37Å; V223-R226 PolarHBondContact O-N 3.09Å |
| 224 | C | 82.3 | Confident | 74.6 | Confident | 97 Ų | 97 | 81.2 Ų | 81.2 | 66% | 0.655 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.7 | -22.3 | -177.5 | -68.4 | 0 | 0 | 0 | 0 | 114 | L220 | L220-C224 VanDerWaalsContact O-CB 3.32Å; L220-C224 WeakPolarHBondContact O-CB 3.41Å; L220-C224 PolarHBondContact O-N 3.23Å; L220-C224 PolarHBondContact O-SG 2.97Å |
| 225 | R | 73.9 | Confident | 73.4 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 28% | 0.275 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -101.8 | -0 | -177.3 | -68 | -177.9 | 169.4 | -168.4 | 0.3 | 114.6 | V137 M138 A221 I222 V223 D227 K228 M237 | V137-R225 PolarHBondContact O-NH1 3.44Å; M138-R225 PolarHBondContact O-NH1 2.98Å; M138-R225 PolarHBondContact O-NH2 3.37Å; A221-R225 VanDerWaalsContact O-CB 3.26Å; A221-R225 WeakPolarHBondContact O-CB 3.48Å; A221-R225 VanDerWaalsContact O-CG 3.27Å; A221-R225 WeakPolarHBondContact O-CG 3.45Å; A221-R225 PolarHBondContact O-N 3.21Å; I222-R225 PolarHBondContact O-N 2.96Å; V223-R225 VanDerWaalsContact C-N 3.25Å; V223-R225 PolarHBondContact O-N 3.37Å; R225-D227 PolarHBondContact O-N 3.28Å; R225-D227 VanDerWaalsContact O-N 3.09Å; R225-K228 PolarHBondContact O-N 3.31Å; R225-M237 HydrophobicContact CB-CE 3.56Å; R225-M237 HydrophobicContact CB-SD 4.32Å; R225-M237 WeakPolarHBondContact O-CE 3.16Å |
| 226 | R | 65.8 | Low | 72.6 | Confident | 210 Ų | 210 | 85.8 Ų | 85.8 | 79% | 0.792 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.3 | -176.9 | -160.5 | 174.9 | 102 | 131.5 | 1 | 113.3 | I222 V223 | I222-R226 PolarHBondContact O-N 3.13Å; V223-R226 PolarHBondContact O-N 3.09Å |
| 227 | D | 60 | Low | 71.6 | Confident | 142 Ų | 142 | 85.8 Ų | 85.8 | 76% | 0.759 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -2.1 | -170.3 | -62.8 | -29.5 | 0 | 0 | 0 | 115.5 | R225 | R225-D227 PolarHBondContact O-N 3.28Å; R225-D227 VanDerWaalsContact O-N 3.09Å |
| 228 | K | 60.5 | Low | 70.7 | Confident | 188 Ų | 188 | 92.2 Ų | 92.2 | 82% | 0.817 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -117.4 | 18.3 | -166.3 | -64.7 | -171.8 | 179.2 | -179 | 0 | 116.8 | R225 | R225-K228 PolarHBondContact O-N 3.31Š|
| 229 | G | 55.4 | Low | 69.9 | Low | 33 Ų | 33 | 101.2 Ų | 101.2 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | trans | -112.7 | 133.7 | -170 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 230 | N | 60.7 | Low | 69.1 | Low | 141 Ų | 141 | 100.2 Ų | 100.2 | 75% | 0.754 | 51% | 0.514 | S | S | * | . | trans | -55.6 | 151.7 | 160.3 | -74.7 | -5.7 | 0 | 0 | 0 | 111.4 | V232 R233 A234 | N230-V232 VanDerWaalsContact C-N 3.33Å; N230-V232 PolarHBondContact O-N 2.64Å; N230-V232 VanDerWaalsContact O-N 3.11Å; N230-R233 PolarHBondContact O-N 3.17Å; N230-A234 PolarHBondContact O-N 3.46Å | ||
| 231 | S | 69.3 | Low | 68 | Low | 101 Ų | 101 | 96 Ų | 96 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -50.1 | -42.2 | -169.5 | 67.4 | 0 | 0 | 0 | 0 | 115.3 | A234 A235 | S231-A234 PolarHBondContact O-N 3.47Å; S231-A235 PolarHBondContact O-N 3.32Å |
| 232 | V | 65.4 | Low | 67.2 | Low | 101 Ų | 101 | 98.2 Ų | 98.2 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.2 | -44.6 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | N230 A234 A235 Q236 | N230-V232 VanDerWaalsContact C-N 3.33Å; N230-V232 PolarHBondContact O-N 2.64Å; N230-V232 VanDerWaalsContact O-N 3.11Å; V232-A234 VanDerWaalsContact C-N 3.3Å; V232-A234 PolarHBondContact O-N 2.91Å; V232-A235 PolarHBondContact O-N 3.27Å; V232-Q236 PolarHBondContact O-N 3.45Å |
| 233 | R | 64.7 | Low | 66.4 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 46% | 0.464 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175.9 | -172.8 | 175.6 | 175.7 | -179.6 | -0.7 | 110.6 | N230 Q236 M237 | N230-R233 PolarHBondContact O-N 3.17Å; R233-Q236 PolarHBondContact O-N 2.98Å; R233-M237 HydrophobicContact CG-CG 4.32Å; R233-M237 VanDerWaalsContact O-CB 3.3Å; R233-M237 WeakPolarHBondContact O-CB 3.32Å; R233-M237 WeakPolarHBondContact O-CG 3.48Å; R233-M237 PolarHBondContact O-N 2.71Å |
| 234 | A | 63.9 | Low | 65.6 | Low | 45 Ų | 45 | 94.1 Ų | 94.1 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | N230 S231 V232 K238 | N230-A234 PolarHBondContact O-N 3.46Å; S231-A234 PolarHBondContact O-N 3.47Å; V232-A234 VanDerWaalsContact C-N 3.3Å; V232-A234 PolarHBondContact O-N 2.91Å; A234-K238 WeakPolarHBondContact O-CB 2.95Å; A234-K238 PolarHBondContact O-N 2.89Å |
| 235 | A | 65.8 | Low | 64.7 | Low | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S231 V232 K238 R239 | S231-A235 PolarHBondContact O-N 3.32Å; V232-A235 PolarHBondContact O-N 3.27Å; A235-K238 PolarHBondContact O-N 2.93Å; A235-R239 PolarHBondContact O-N 3.4Å |
| 236 | Q | 66.6 | Low | 64.2 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 174.7 | -74.9 | 179.9 | -30.1 | 0 | 0 | 111.4 | V232 R233 K238 R239 E240 | V232-Q236 PolarHBondContact O-N 3.45Å; R233-Q236 PolarHBondContact O-N 2.98Å; Q236-K238 VanDerWaalsContact C-N 3.27Å; Q236-K238 PolarHBondContact O-N 3.38Å; Q236-R239 WeakPolarHBondContact O-CB 3.3Å; Q236-R239 PolarHBondContact O-N 2.96Å; Q236-R239 VanDerWaalsContact O-N 3.09Å; Q236-E240 PolarHBondContact O-N 3.35Å |
| 237 | M | 63.7 | Low | 64.2 | Low | 36 Ų | 36 | 92.2 Ų | 92.2 | 18% | 0.177 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 174.7 | -70.9 | -128.6 | -56.9 | 0 | 0 | 111.8 | R225 R233 E240 A241 | R225-M237 HydrophobicContact CB-CE 3.56Å; R225-M237 HydrophobicContact CB-SD 4.32Å; R225-M237 WeakPolarHBondContact O-CE 3.16Å; R233-M237 HydrophobicContact CG-CG 4.32Å; R233-M237 VanDerWaalsContact O-CB 3.3Å; R233-M237 WeakPolarHBondContact O-CB 3.32Å; R233-M237 WeakPolarHBondContact O-CG 3.48Å; R233-M237 PolarHBondContact O-N 2.71Å; M237-E240 PolarHBondContact O-N 3.2Å; M237-A241 WeakPolarHBondContact O-CA 3.5Å; M237-A241 WeakPolarHBondContact O-CB 3.43Å; M237-A241 PolarHBondContact O-N 2.79Å |
| 238 | K | 68.6 | Low | 64.4 | Low | 153 Ų | 153 | 86.3 Ų | 86.3 | 67% | 0.665 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 174.6 | -173.8 | 176.9 | -178.2 | 178.6 | 0 | 111.2 | A234 A235 Q236 V242 | A234-K238 WeakPolarHBondContact O-CB 2.95Å; A234-K238 PolarHBondContact O-N 2.89Å; A235-K238 PolarHBondContact O-N 2.93Å; Q236-K238 VanDerWaalsContact C-N 3.27Å; Q236-K238 PolarHBondContact O-N 3.38Å; K238-V242 WeakPolarHBondContact O-CB 3.47Å; K238-V242 WeakPolarHBondContact O-CG2 3.48Å; K238-V242 PolarHBondContact O-N 3.24Å |
| 239 | R | 68 | Low | 64.4 | Low | 189 Ų | 189 | 82.8 Ų | 82.8 | 71% | 0.713 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 176.8 | -173.5 | -179.8 | 179.3 | -176.3 | 0.5 | 111.4 | A235 Q236 V242 I243 | A235-R239 PolarHBondContact O-N 3.4Å; Q236-R239 WeakPolarHBondContact O-CB 3.3Å; Q236-R239 PolarHBondContact O-N 2.96Å; Q236-R239 VanDerWaalsContact O-N 3.09Å; R239-V242 PolarHBondContact O-N 2.89Å; R239-I243 HydrophobicContact CG-CD1 4.24Å; R239-I243 WeakPolarHBondContact O-CG1 3.45Å; R239-I243 PolarHBondContact O-N 3.29Å |
| 240 | E | 64.8 | Low | 64.7 | Low | 42 Ų | 42 | 81.7 Ų | 81.7 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 178.7 | -72.1 | -179.1 | 178.9 | 0 | 0 | 112.2 | Q236 M237 V242 I243 T244 | Q236-E240 PolarHBondContact O-N 3.35Å; M237-E240 PolarHBondContact O-N 3.2Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-I243 PolarHBondContact O-N 2.9Å; E240-T244 VanDerWaalsContact O-CB 3.26Å; E240-T244 WeakPolarHBondContact O-CB 3.4Å; E240-T244 PolarHBondContact O-N 3.43Å; E240-T244 PolarHBondContact O-OG1 3.29Å |
| 241 | A | 63.7 | Low | 64.9 | Low | 24 Ų | 24 | 75.5 Ų | 75.5 | 20% | 0.198 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I222 M237 I243 T244 R245 | I222-A241 HydrophobicContact CD1-CB 4.3Å; I222-A241 HydrophobicContact CG2-CB 4.11Å; M237-A241 WeakPolarHBondContact O-CA 3.5Å; M237-A241 WeakPolarHBondContact O-CB 3.43Å; M237-A241 PolarHBondContact O-N 2.79Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.41Å; A241-T244 PolarHBondContact O-N 3Å; A241-R245 WeakPolarHBondContact O-CB 3.48Å; A241-R245 PolarHBondContact O-N 3.4Å |
| 242 | V | 65.8 | Low | 64.8 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | K238 R239 E240 R246 | K238-V242 WeakPolarHBondContact O-CB 3.47Å; K238-V242 WeakPolarHBondContact O-CG2 3.48Å; K238-V242 PolarHBondContact O-N 3.24Å; R239-V242 PolarHBondContact O-N 2.89Å; E240-V242 VanDerWaalsContact C-N 3.35Å; V242-R246 VanDerWaalsContact CG1-CZ 3.46Å; V242-R246 WeakPolarHBondContact O-CB 3.01Å; V242-R246 VanDerWaalsContact O-CD 3.26Å; V242-R246 WeakPolarHBondContact O-CD 3.34Å; V242-R246 WeakPolarHBondContact O-CG 3.41Å; V242-R246 PolarHBondContact O-N 2.88Å |
| 243 | I | 63.7 | Low | 64.8 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 177.1 | -65.5 | 165.7 | 0 | 0 | 0 | 110.6 | R239 E240 A241 R246 L247 | R239-I243 HydrophobicContact CG-CD1 4.24Å; R239-I243 WeakPolarHBondContact O-CG1 3.45Å; R239-I243 PolarHBondContact O-N 3.29Å; E240-I243 PolarHBondContact O-N 2.9Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.41Å; I243-R246 WeakPolarHBondContact O-CB 3.49Å; I243-R246 PolarHBondContact O-N 3.27Å; I243-R246 VanDerWaalsContact O-N 3.08Å; I243-L247 HydrophobicContact CG2-CD1 4.05Å; I243-L247 HydrophobicContact CG2-CG 4.49Å; I243-L247 WeakPolarHBondContact O-CG 3.44Å; I243-L247 PolarHBondContact O-N 3.48Å |
| 244 | T | 64.1 | Low | 64.9 | Low | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | -178.9 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | R133 I222 E240 A241 R246 L247 S248 | R133-T244 HydrophobicContact CB-CG2 4.28Å; R133-T244 HydrophobicContact CG-CG2 4.5Å; I222-T244 HydrophobicContact CD1-CG2 3.87Å; E240-T244 VanDerWaalsContact O-CB 3.26Å; E240-T244 WeakPolarHBondContact O-CB 3.4Å; E240-T244 PolarHBondContact O-N 3.43Å; E240-T244 PolarHBondContact O-OG1 3.29Å; A241-T244 PolarHBondContact O-N 3Å; T244-R246 PolarHBondContact O-N 2.88Å; T244-L247 CarbonylContact O-C 3.54Å; T244-L247 PolarHBondContact O-N 3.01Å; T244-S248 PolarHBondContact O-N 3.37Å |
| 245 | R | 63.9 | Low | 64.9 | Low | 201 Ų | 201 | 64.7 Ų | 64.7 | 76% | 0.758 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.2 | -8.8 | 173.3 | -160.8 | -171 | -147.8 | -166.5 | 6.6 | 113.7 | A241 S248 | A241-R245 WeakPolarHBondContact O-CB 3.48Å; A241-R245 PolarHBondContact O-N 3.4Å; R245-S248 WeakPolarHBondContact CA-OG 3.45Å; R245-S248 PolarHBondContact O-OG 3.11Å |
| 246 | R | 63.6 | Low | 64.9 | Low | 121 Ų | 121 | 68 Ų | 68 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -96.3 | -38.6 | 172.4 | -76.5 | 171.7 | -177.5 | -172.3 | 0.6 | 110.6 | V242 I243 T244 S248 I299 | V242-R246 VanDerWaalsContact CG1-CZ 3.46Å; V242-R246 WeakPolarHBondContact O-CB 3.01Å; V242-R246 VanDerWaalsContact O-CD 3.26Å; V242-R246 WeakPolarHBondContact O-CD 3.34Å; V242-R246 WeakPolarHBondContact O-CG 3.41Å; V242-R246 PolarHBondContact O-N 2.88Å; I243-R246 WeakPolarHBondContact O-CB 3.49Å; I243-R246 PolarHBondContact O-N 3.27Å; I243-R246 VanDerWaalsContact O-N 3.08Å; T244-R246 PolarHBondContact O-N 2.88Å; R246-S248 PolarHBondContact O-N 2.89Å; R246-I299 HydrophobicContact CB-CD1 3.79Å; R246-I299 HydrophobicContact CG-CD1 4.26Å |
| 247 | L | 65.2 | Low | 64.9 | Low | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.9 | -20.4 | 170.5 | -67 | 176.5 | 0 | 0 | 0 | 112.8 | I129 R133 I243 T244 Y249 L250 I251 F296 | I129-L247 HydrophobicContact CG2-CD1 4.4Å; R133-L247 HydrophobicContact CG-CD1 4.34Å; I243-L247 HydrophobicContact CG2-CD1 4.05Å; I243-L247 HydrophobicContact CG2-CG 4.49Å; I243-L247 WeakPolarHBondContact O-CG 3.44Å; I243-L247 PolarHBondContact O-N 3.48Å; T244-L247 CarbonylContact O-C 3.54Å; T244-L247 PolarHBondContact O-N 3.01Å; L247-Y249 PolarHBondContact O-N 3.24Å; L247-L250 HydrophobicContact CD2-CD1 3.8Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 PolarHBondContact O-N 3.05Å; L247-L250 VanDerWaalsContact O-N 3.08Å; L247-I251 PolarHBondContact O-N 3.19Å; L247-F296 HydrophobicContact CD2-CD2 4.17Å; L247-F296 HydrophobicContact CD2-CE2 4.14Å |
| 248 | S | 64.7 | Low | 65.1 | Low | 17 Ų | 17 | 66.2 Ų | 66.2 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.2 | -39 | 174 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | Y215 T244 R245 R246 I251 L252 | Y215-S248 WeakPolarHBondContact OH-CA 3.07Å; Y215-S248 WeakPolarHBondContact OH-CB 3.34Å; T244-S248 PolarHBondContact O-N 3.37Å; R245-S248 WeakPolarHBondContact CA-OG 3.45Å; R245-S248 PolarHBondContact O-OG 3.11Å; R246-S248 PolarHBondContact O-N 2.89Å; S248-I251 PolarHBondContact O-N 3.03Å; S248-L252 VanDerWaalsContact O-CB 3.29Å; S248-L252 WeakPolarHBondContact O-CB 3.24Å; S248-L252 WeakPolarHBondContact O-CG 3.24Å; S248-L252 PolarHBondContact O-N 3.39Å |
| 249 | Y | 61.9 | Low | 65.2 | Low | 114 Ų | 114 | 59.4 Ų | 59.4 | 45% | 0.447 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 179.9 | -176.1 | -96.2 | 0 | 0 | 0 | 110.4 | L247 I251 L252 L253 I295 | L247-Y249 PolarHBondContact O-N 3.24Å; Y249-I251 VanDerWaalsContact C-N 3.33Å; Y249-I251 PolarHBondContact O-N 3.41Å; Y249-L252 PolarHBondContact O-N 3.46Å; Y249-L253 HydrophobicContact CD1-CD1 3.72Å; Y249-L253 HydrophobicContact CD1-CG 4.21Å; Y249-L253 HydrophobicContact CE1-CD1 3.27Å; Y249-L253 HydrophobicContact CE1-CD2 4.29Å; Y249-L253 HydrophobicContact CE1-CG 3.93Å; Y249-L253 VanDerWaalsContact O-CG 3.31Å; Y249-L253 WeakPolarHBondContact O-CG 3.44Å; Y249-L253 PolarHBondContact O-N 3.24Å; Y249-I295 HydrophobicContact CD1-CD1 3.35Å; Y249-I295 HydrophobicContact CE1-CD1 3.3Å; Y249-I295 HydrophobicContact CG-CD1 4.45Å |
| 250 | L | 60.6 | Low | 65.3 | Low | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.6 | -59.4 | 173.1 | 0 | 0 | 0 | 111.5 | L247 L253 T254 F292 | L247-L250 HydrophobicContact CD2-CD1 3.8Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 PolarHBondContact O-N 3.05Å; L247-L250 VanDerWaalsContact O-N 3.08Å; L250-L253 PolarHBondContact O-N 3.13Å; L250-T254 PolarHBondContact O-N 2.85Å; L250-T254 PolarHBondContact O-OG1 3.04Å; L250-F292 HydrophobicContact CB-CD2 4.48Å; L250-F292 HydrophobicContact CD1-CD2 3.41Å; L250-F292 VanDerWaalsContact CD1-CD2 3.41Å; L250-F292 HydrophobicContact CD1-CE2 3.55Å; L250-F292 HydrophobicContact CD1-CG 4.43Å; L250-F292 HydrophobicContact CD2-CB 3.98Å; L250-F292 HydrophobicContact CD2-CD2 3.72Å; L250-F292 HydrophobicContact CD2-CG 4.26Å; L250-F292 HydrophobicContact CG-CD2 4.03Å |
| 251 | I | 64.4 | Low | 65.5 | Low | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | -178.9 | -60.5 | 165.3 | 0 | 0 | 0 | 111.2 | Y215 L247 S248 Y249 L253 T254 L255 | Y215-I251 HydrophobicContact CD1-CG2 3.8Å; Y215-I251 HydrophobicContact CD2-CB 4.09Å; Y215-I251 HydrophobicContact CD2-CD1 3.35Å; Y215-I251 HydrophobicContact CD2-CG1 4.31Å; Y215-I251 HydrophobicContact CD2-CG2 3.9Å; Y215-I251 HydrophobicContact CE1-CG2 4.39Å; Y215-I251 HydrophobicContact CE2-CB 4.31Å; Y215-I251 HydrophobicContact CE2-CD1 3.85Å; Y215-I251 HydrophobicContact CE2-CG2 4.48Å; Y215-I251 HydrophobicContact CG-CB 4.21Å; Y215-I251 HydrophobicContact CG-CD1 4.08Å; Y215-I251 HydrophobicContact CG-CG2 3.52Å; L247-I251 PolarHBondContact O-N 3.19Å; S248-I251 PolarHBondContact O-N 3.03Å; Y249-I251 VanDerWaalsContact C-N 3.33Å; Y249-I251 PolarHBondContact O-N 3.41Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-T254 PolarHBondContact O-N 2.94Å; I251-L255 HydrophobicContact CG2-CD1 4.23Å; I251-L255 WeakPolarHBondContact O-CB 3.36Å; I251-L255 WeakPolarHBondContact O-CD1 3.43Å; I251-L255 WeakPolarHBondContact O-CG 3.09Å; I251-L255 PolarHBondContact O-N 3.14Å |
| 252 | L | 67.1 | Low | 65.9 | Low | 76 Ų | 76 | 53.2 Ų | 53.2 | 40% | 0.398 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 171.2 | -74 | 171 | 0 | 0 | 0 | 111.6 | S248 Y249 L255 F256 | S248-L252 VanDerWaalsContact O-CB 3.29Å; S248-L252 WeakPolarHBondContact O-CB 3.24Å; S248-L252 WeakPolarHBondContact O-CG 3.24Å; S248-L252 PolarHBondContact O-N 3.39Å; Y249-L252 PolarHBondContact O-N 3.46Å; L252-L255 HydrophobicContact CD2-CD1 4.16Å; L252-L255 WeakPolarHBondContact O-CB 3.45Å; L252-L255 PolarHBondContact O-N 3.1Å; L252-F256 WeakPolarHBondContact O-CD2 3.4Å; L252-F256 PolarHBondContact O-N 2.88Å |
| 253 | L | 66.8 | Low | 66.3 | Low | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 173 | -65.4 | 177 | 0 | 0 | 0 | 110.9 | Y249 L250 I251 L255 F256 F257 | Y249-L253 HydrophobicContact CD1-CD1 3.72Å; Y249-L253 HydrophobicContact CD1-CG 4.21Å; Y249-L253 HydrophobicContact CE1-CD1 3.27Å; Y249-L253 HydrophobicContact CE1-CD2 4.29Å; Y249-L253 HydrophobicContact CE1-CG 3.93Å; Y249-L253 VanDerWaalsContact O-CG 3.31Å; Y249-L253 WeakPolarHBondContact O-CG 3.44Å; Y249-L253 PolarHBondContact O-N 3.24Å; L250-L253 PolarHBondContact O-N 3.13Å; I251-L253 VanDerWaalsContact C-N 3.33Å; L253-L255 PolarHBondContact O-N 2.87Å; L253-F256 PolarHBondContact O-N 2.96Å; L253-F257 HydrophobicContact CB-CD2 3.87Å; L253-F257 HydrophobicContact CB-CE2 4.08Å; L253-F257 HydrophobicContact CD2-CD2 4.06Å; L253-F257 HydrophobicContact CD2-CE2 3.35Å; L253-F257 HydrophobicContact CD2-CZ 4.1Å; L253-F257 HydrophobicContact CG-CD2 4.49Å; L253-F257 HydrophobicContact CG-CE2 4.21Å; L253-F257 WeakPolarHBondContact O-CB 3.22Å; L253-F257 VanDerWaalsContact O-CD2 3.23Å; L253-F257 WeakPolarHBondContact O-CD2 3.25Å; L253-F257 VanDerWaalsContact O-CG 3.28Å; L253-F257 WeakPolarHBondContact O-CG 3.35Å; L253-F257 PolarHBondContact O-N 3.49Å |
| 254 | T | 66.1 | Low | 66.7 | Low | 18 Ų | 18 | 51.5 Ų | 51.5 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.8 | -37.1 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | P126 L250 I251 Q258 A259 | P126-T254 HydrophobicContact CB-CG2 4.26Å; P126-T254 HydrophobicContact CG-CG2 4.32Å; L250-T254 PolarHBondContact O-N 2.85Å; L250-T254 PolarHBondContact O-OG1 3.04Å; I251-T254 PolarHBondContact O-N 2.94Å; T254-Q258 HydrophobicContact CG2-CB 4.14Å; T254-Q258 VanDerWaalsContact CG2-OE1 3.25Å; T254-Q258 WeakPolarHBondContact O-CA 3.28Å; T254-Q258 WeakPolarHBondContact O-CB 3.47Å; T254-Q258 PolarHBondContact O-N 3.47Å; T254-A259 PolarHBondContact O-N 3.4Å |
| 255 | L | 63.7 | Low | 66.9 | Low | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -66.5 | -53.7 | 176.1 | -74.9 | 161.9 | 0 | 0 | 0 | 113.1 | L212 Y215 I251 L252 L253 F257 A259 L260 | L212-L255 HydrophobicContact CB-CD2 3.52Å; L212-L255 HydrophobicContact CD1-CD1 3.55Å; L212-L255 HydrophobicContact CD1-CD2 3.42Å; L212-L255 VanDerWaalsContact CD1-CD2 3.42Å; L212-L255 HydrophobicContact CD1-CG 4.12Å; L212-L255 HydrophobicContact CD2-CD2 3.7Å; L212-L255 HydrophobicContact CG-CD2 3.67Å; Y215-L255 HydrophobicContact CD1-CD1 4.47Å; I251-L255 HydrophobicContact CG2-CD1 4.23Å; I251-L255 WeakPolarHBondContact O-CB 3.36Å; I251-L255 WeakPolarHBondContact O-CD1 3.43Å; I251-L255 WeakPolarHBondContact O-CG 3.09Å; I251-L255 PolarHBondContact O-N 3.14Å; L252-L255 HydrophobicContact CD2-CD1 4.16Å; L252-L255 WeakPolarHBondContact O-CB 3.45Å; L252-L255 PolarHBondContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 2.87Å; L255-F257 PolarHBondContact O-N 3.08Å; L255-A259 HydrophobicContact CD2-CB 4.43Å; L255-A259 WeakPolarHBondContact O-CB 3.36Å; L255-A259 PolarHBondContact O-N 3.36Å; L255-L260 PolarHBondContact O-N 3.35Å |
| 256 | F | 66.4 | Low | 67.4 | Low | 132 Ų | 132 | 48.5 Ų | 48.5 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | I | π-helix | trans | -67 | -29 | -178.4 | -86.4 | -75.4 | 0 | 0 | 0 | 112.4 | L252 L253 L260 | L252-F256 WeakPolarHBondContact O-CD2 3.4Å; L252-F256 PolarHBondContact O-N 2.88Å; L253-F256 PolarHBondContact O-N 2.96Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å |
| 257 | F | 66.6 | Low | 68 | Low | 59 Ų | 59 | 46.4 Ų | 46.4 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -112.9 | -13.8 | -168.5 | -54.6 | -40.1 | 0 | 0 | 0 | 115 | L253 L255 P261 A284 | L253-F257 HydrophobicContact CB-CD2 3.87Å; L253-F257 HydrophobicContact CB-CE2 4.08Å; L253-F257 HydrophobicContact CD2-CD2 4.06Å; L253-F257 HydrophobicContact CD2-CE2 3.35Å; L253-F257 HydrophobicContact CD2-CZ 4.1Å; L253-F257 HydrophobicContact CG-CD2 4.49Å; L253-F257 HydrophobicContact CG-CE2 4.21Å; L253-F257 WeakPolarHBondContact O-CB 3.22Å; L253-F257 VanDerWaalsContact O-CD2 3.23Å; L253-F257 WeakPolarHBondContact O-CD2 3.25Å; L253-F257 VanDerWaalsContact O-CG 3.28Å; L253-F257 WeakPolarHBondContact O-CG 3.35Å; L253-F257 PolarHBondContact O-N 3.49Å; L255-F257 PolarHBondContact O-N 3.08Å; F257-P261 VanDerWaalsContact O-CG 3.31Å; F257-P261 WeakPolarHBondContact O-CG 3.24Å; F257-A284 HydrophobicContact CB-CB 3.84Å; F257-A284 HydrophobicContact CD1-CB 3.17Å; F257-A284 HydrophobicContact CD2-CB 3.67Å; F257-A284 HydrophobicContact CE1-CB 3.39Å; F257-A284 HydrophobicContact CE2-CB 3.83Å; F257-A284 HydrophobicContact CG-CB 3.32Å; F257-A284 HydrophobicContact CZ-CB 3.72Å |
| 258 | Q | 67.8 | Low | 68.1 | Low | 40 Ų | 40 | 55.3 Ų | 55.3 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -116.5 | -47.2 | 175.7 | -156.9 | 167.9 | 24.3 | 0 | 0 | 111.7 | G122 V123 T254 P261 L262 | G122-Q258 PolarHBondContact O-OE1 3.38Å; V123-Q258 VanDerWaalsContact CG2-CD 3.48Å; V123-Q258 HydrophobicContact CG2-CG 4.12Å; T254-Q258 HydrophobicContact CG2-CB 4.14Å; T254-Q258 VanDerWaalsContact CG2-OE1 3.25Å; T254-Q258 WeakPolarHBondContact O-CA 3.28Å; T254-Q258 WeakPolarHBondContact O-CB 3.47Å; T254-Q258 PolarHBondContact O-N 3.47Å; Q258-P261 WeakPolarHBondContact O-CD 3.41Å; Q258-L262 HydrophobicContact CG-CD1 4.36Å; Q258-L262 WeakPolarHBondContact O-CD1 3.46Å; Q258-L262 VanDerWaalsContact O-CG 3.26Å; Q258-L262 WeakPolarHBondContact O-CG 3.39Å; Q258-L262 PolarHBondContact O-N 2.9Å |
| 259 | A | 71.2 | Confident | 68.2 | Low | 10 Ų | 10 | 56.4 Ų | 56.4 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -70.5 | -46.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T254 L255 L262 T263 | T254-A259 PolarHBondContact O-N 3.4Å; L255-A259 HydrophobicContact CD2-CB 4.43Å; L255-A259 WeakPolarHBondContact O-CB 3.36Å; L255-A259 PolarHBondContact O-N 3.36Å; A259-L262 PolarHBondContact O-N 3.47Å; A259-T263 WeakPolarHBondContact O-CG2 3.15Å; A259-T263 PolarHBondContact O-N 2.86Å; A259-T263 PolarHBondContact O-OG1 3.36Å |
| 260 | L | 69.4 | Low | 68.6 | Low | 77 Ų | 77 | 58.2 Ų | 58.2 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -178.6 | -176.8 | 158.9 | 0 | 0 | 0 | 112.3 | L255 F256 L262 T263 L264 | L255-L260 PolarHBondContact O-N 3.35Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å; L260-L262 PolarHBondContact O-N 3.3Å; L260-T263 WeakPolarHBondContact CA-OG1 2.85Å; L260-T263 PolarHBondContact O-N 3.02Å; L260-T263 PolarHBondContact O-OG1 2.86Å; L260-L264 HydrophobicContact CD2-CD1 3.44Å; L260-L264 VanDerWaalsContact CD2-CD1 3.44Å; L260-L264 HydrophobicContact CD2-CG 4.06Å; L260-L264 WeakPolarHBondContact O-CG 2.85Å; L260-L264 PolarHBondContact O-N 2.93Å |
| 261 | P | 68.6 | Low | 68.9 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 174.1 | -38.5 | 49.3 | 0 | 0 | 0 | 115.3 | F257 Q258 T263 L264 S265 I281 | F257-P261 VanDerWaalsContact O-CG 3.31Å; F257-P261 WeakPolarHBondContact O-CG 3.24Å; Q258-P261 WeakPolarHBondContact O-CD 3.41Å; P261-T263 PolarHBondContact O-N 2.62Å; P261-L264 PolarHBondContact O-N 2.99Å; P261-L264 VanDerWaalsContact O-N 3.09Å; P261-S265 PolarHBondContact O-N 2.95Å; P261-I281 HydrophobicContact CB-CD1 3.29Å; P261-I281 HydrophobicContact CB-CG1 3.8Å; P261-I281 HydrophobicContact CB-CG2 3.99Å; P261-I281 HydrophobicContact CG-CB 4.08Å; P261-I281 HydrophobicContact CG-CD1 3.34Å; P261-I281 HydrophobicContact CG-CG1 3.24Å; P261-I281 HydrophobicContact CG-CG2 3.7Å |
| 262 | L | 71.9 | Confident | 69.1 | Low | 29 Ų | 29 | 70.7 Ų | 70.7 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 178.2 | -71.6 | 170.7 | 0 | 0 | 0 | 110.3 | L204 Q258 A259 L260 S265 F266 | L204-L262 HydrophobicContact CB-CD1 3.99Å; L204-L262 HydrophobicContact CB-CD2 4.31Å; L204-L262 HydrophobicContact CD1-CD2 4.3Å; Q258-L262 HydrophobicContact CG-CD1 4.36Å; Q258-L262 WeakPolarHBondContact O-CD1 3.46Å; Q258-L262 VanDerWaalsContact O-CG 3.26Å; Q258-L262 WeakPolarHBondContact O-CG 3.39Å; Q258-L262 PolarHBondContact O-N 2.9Å; A259-L262 PolarHBondContact O-N 3.47Å; L260-L262 PolarHBondContact O-N 3.3Å; L262-S265 PolarHBondContact O-N 3.43Å; L262-S265 PolarHBondContact O-OG 2.75Å; L262-F266 VanDerWaalsContact O-CD2 3.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.45Å; L262-F266 WeakPolarHBondContact O-CE2 3.42Å |
| 263 | T | 74.6 | Confident | 69.3 | Low | 36 Ų | 36 | 69.9 Ų | 69.9 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.9 | -36.8 | 175.5 | 60 | 0 | 0 | 0 | 0 | 112.9 | T205 Y209 A259 L260 P261 S265 F266 | T205-T263 HydrophobicContact CG2-CG2 4.33Å; Y209-T263 HydrophobicContact CE2-CG2 3.66Å; Y209-T263 WeakPolarHBondContact OH-CG2 3.43Å; A259-T263 WeakPolarHBondContact O-CG2 3.15Å; A259-T263 PolarHBondContact O-N 2.86Å; A259-T263 PolarHBondContact O-OG1 3.36Å; L260-T263 WeakPolarHBondContact CA-OG1 2.85Å; L260-T263 PolarHBondContact O-N 3.02Å; L260-T263 PolarHBondContact O-OG1 2.86Å; P261-T263 PolarHBondContact O-N 2.62Å; T263-S265 VanDerWaalsContact C-N 3.27Å; T263-S265 PolarHBondContact O-N 3.21Å; T263-F266 PolarHBondContact O-N 2.91Å |
| 264 | L | 71.8 | Confident | 69.3 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -28.3 | 176 | -69.6 | 176.6 | 0 | 0 | 0 | 112 | L260 P261 F266 V267 I269 M274 I277 | L260-L264 HydrophobicContact CD2-CD1 3.44Å; L260-L264 VanDerWaalsContact CD2-CD1 3.44Å; L260-L264 HydrophobicContact CD2-CG 4.06Å; L260-L264 WeakPolarHBondContact O-CG 2.85Å; L260-L264 PolarHBondContact O-N 2.93Å; P261-L264 PolarHBondContact O-N 2.99Å; P261-L264 VanDerWaalsContact O-N 3.09Å; L264-F266 PolarHBondContact O-N 3.44Å; L264-F266 VanDerWaalsContact O-N 3.13Å; L264-V267 PolarHBondContact O-N 2.87Å; L264-I269 HydrophobicContact CB-CD1 4.02Å; L264-I269 HydrophobicContact CD2-CD1 3.87Å; L264-I269 HydrophobicContact CG-CD1 4.36Å; L264-M274 WeakPolarHBondContact O-CE 3.36Å; L264-I277 HydrophobicContact CD1-CD1 4.07Å; L264-I277 HydrophobicContact CD1-CG1 4.48Å; L264-I277 HydrophobicContact CD1-CG2 3.92Å |
| 265 | S | 69.2 | Low | 69.4 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.7 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 114.7 | P261 L262 T263 | P261-S265 PolarHBondContact O-N 2.95Å; L262-S265 PolarHBondContact O-N 3.43Å; L262-S265 PolarHBondContact O-OG 2.75Å; T263-S265 VanDerWaalsContact C-N 3.27Å; T263-S265 PolarHBondContact O-N 3.21Å |
| 266 | F | 74.3 | Confident | 69.7 | Low | 88 Ų | 88 | 80.6 Ų | 80.6 | 39% | 0.386 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8 | 172.4 | -65.6 | -77.7 | 0 | 0 | 0 | 113.4 | F198 R201 V202 T205 L262 T263 L264 | F198-F266 HydrophobicContact CD2-CE1 4.29Å; F198-F266 HydrophobicContact CE2-CD1 4.35Å; F198-F266 AromaticContact CE2-CE1 3.88Å; F198-F266 HydrophobicContact CE2-CE1 3.88Å; R201-F266 HydrophobicContact CB-CZ 4.15Å; V202-F266 HydrophobicContact CG2-CE1 3.81Å; V202-F266 HydrophobicContact CG2-CZ 3.75Å; T205-F266 HydrophobicContact CG2-CE2 4.1Å; T205-F266 WeakPolarHBondContact OG1-CE2 3.25Å; L262-F266 VanDerWaalsContact O-CD2 3.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.45Å; L262-F266 WeakPolarHBondContact O-CE2 3.42Å; T263-F266 PolarHBondContact O-N 2.91Å; L264-F266 PolarHBondContact O-N 3.44Å; L264-F266 VanDerWaalsContact O-N 3.13Å |
| 267 | V | 75.6 | Confident | 69.9 | Low | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -95.4 | 128.5 | 177 | -176 | 0 | 0 | 0 | 0 | 107.4 | L264 I269 M274 | L264-V267 PolarHBondContact O-N 2.87Å; V267-I269 VanDerWaalsContact C-N 3.29Å; V267-I269 HydrophobicContact CB-CD1 4.23Å; V267-I269 HydrophobicContact CB-CG1 3.95Å; V267-I269 HydrophobicContact CG1-CD1 4.37Å; V267-I269 HydrophobicContact CG1-CG1 3.75Å; V267-I269 PolarHBondContact O-N 3.47Å; V267-M274 WeakPolarHBondContact O-CE 3.41Å |
| 268 | E | 66.6 | Low | 70 | Confident | 205 Ų | 205 | 75.6 Ų | 75.6 | 96% | 0.958 | 38% | 0.384 | S | S | * | . | trans | -66.1 | 91.4 | 169.6 | -70.2 | 176.1 | -178.9 | 0 | 0 | 108.6 | ||||
| 269 | I | 66.8 | Low | 70.1 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | trans | -103.7 | 140.8 | 175.8 | -58.7 | 174.2 | 0 | 0 | 0 | 107.7 | L264 V267 T273 M274 I277 | L264-I269 HydrophobicContact CB-CD1 4.02Å; L264-I269 HydrophobicContact CD2-CD1 3.87Å; L264-I269 HydrophobicContact CG-CD1 4.36Å; V267-I269 VanDerWaalsContact C-N 3.29Å; V267-I269 HydrophobicContact CB-CD1 4.23Å; V267-I269 HydrophobicContact CB-CG1 3.95Å; V267-I269 HydrophobicContact CG1-CD1 4.37Å; V267-I269 HydrophobicContact CG1-CG1 3.75Å; V267-I269 PolarHBondContact O-N 3.47Å; I269-T273 HydrophobicContact CG2-CG2 3.52Å; I269-M274 HydrophobicContact CB-CE 3.56Å; I269-M274 HydrophobicContact CB-CG 3.84Å; I269-M274 HydrophobicContact CB-SD 3.79Å; I269-M274 HydrophobicContact CD1-CE 3.96Å; I269-M274 HydrophobicContact CD1-SD 4.01Å; I269-M274 HydrophobicContact CG1-CE 3.89Å; I269-M274 HydrophobicContact CG1-SD 4.33Å; I269-M274 HydrophobicContact CG2-CG 4.04Å; I269-M274 HydrophobicContact CG2-SD 4.23Å; I269-I277 HydrophobicContact CD1-CD1 3.91Å; I269-I277 HydrophobicContact CG2-CD1 4.29Å | ||
| 270 | E | 71.9 | Confident | 70 | Confident | 151 Ų | 151 | 81.6 Ų | 81.6 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | trans | -51 | 140 | 174.1 | -65.5 | 173.9 | 175.5 | 0 | 0 | 112 | E272 T273 M274 | E270-E272 VanDerWaalsContact C-N 3.33Å; E270-E272 PolarHBondContact O-N 3.29Å; E270-T273 WeakPolarHBondContact O-CA 3.42Å; E270-T273 WeakPolarHBondContact O-CB 3.3Å; E270-T273 PolarHBondContact O-N 2.93Å; E270-M274 PolarHBondContact O-N 3.17Å | ||
| 271 | M | 65.3 | Low | 70.1 | Confident | 166 Ų | 166 | 80 Ų | 80 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -51.8 | -45.1 | -173.9 | -69.3 | -70 | -72.1 | 0 | 0 | 113.5 | T273 M274 E275 | M271-T273 VanDerWaalsContact C-N 3.29Å; M271-T273 PolarHBondContact O-N 3.29Å; M271-M274 WeakPolarHBondContact O-CB 3.41Å; M271-M274 PolarHBondContact O-N 3.49Å; M271-E275 PolarHBondContact O-N 3.49Å |
| 272 | E | 69.6 | Low | 70.2 | Confident | 119 Ų | 119 | 84.2 Ų | 84.2 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64 | -35.7 | 179.6 | -166.3 | -165.6 | 153.5 | 0 | 0 | 112 | E270 K276 | E270-E272 VanDerWaalsContact C-N 3.33Å; E270-E272 PolarHBondContact O-N 3.29Å; E272-K276 WeakPolarHBondContact O-CG 3.19Å; E272-K276 PolarHBondContact O-N 2.91Å; E272-K276 WeakPolarHBondContact OE1-CE 3.3Å; E272-K276 IonicContact OE1-NZ 2.76Å; E272-K276 PolarHBondContact OE1-NZ 2.95Å |
| 273 | T | 71.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 86.3 Ų | 86.3 | 36% | 0.362 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.6 | -37.9 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | I269 E270 M271 E275 K276 I277 | I269-T273 HydrophobicContact CG2-CG2 3.52Å; E270-T273 WeakPolarHBondContact O-CA 3.42Å; E270-T273 WeakPolarHBondContact O-CB 3.3Å; E270-T273 PolarHBondContact O-N 2.93Å; M271-T273 VanDerWaalsContact C-N 3.29Å; M271-T273 PolarHBondContact O-N 3.29Å; T273-E275 PolarHBondContact O-N 2.77Å; T273-K276 PolarHBondContact O-N 3.22Å; T273-I277 HydrophobicContact CG2-CD1 3.77Å; T273-I277 HydrophobicContact CG2-CG1 4.43Å; T273-I277 WeakPolarHBondContact O-CB 3.32Å; T273-I277 WeakPolarHBondContact O-CD1 3.41Å; T273-I277 WeakPolarHBondContact O-CG1 3.38Å; T273-I277 PolarHBondContact O-N 2.94Å |
| 274 | M | 66.7 | Low | 70 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.6 | -77 | -61.6 | -157.1 | 0 | 0 | 112.7 | L264 V267 I269 E270 M271 I277 S278 | L264-M274 WeakPolarHBondContact O-CE 3.36Å; V267-M274 WeakPolarHBondContact O-CE 3.41Å; I269-M274 HydrophobicContact CB-CE 3.56Å; I269-M274 HydrophobicContact CB-CG 3.84Å; I269-M274 HydrophobicContact CB-SD 3.79Å; I269-M274 HydrophobicContact CD1-CE 3.96Å; I269-M274 HydrophobicContact CD1-SD 4.01Å; I269-M274 HydrophobicContact CG1-CE 3.89Å; I269-M274 HydrophobicContact CG1-SD 4.33Å; I269-M274 HydrophobicContact CG2-CG 4.04Å; I269-M274 HydrophobicContact CG2-SD 4.23Å; E270-M274 PolarHBondContact O-N 3.17Å; M271-M274 WeakPolarHBondContact O-CB 3.41Å; M271-M274 PolarHBondContact O-N 3.49Å; M274-I277 PolarHBondContact O-N 3.36Å; M274-S278 WeakPolarHBondContact O-CB 3.44Å; M274-S278 PolarHBondContact O-N 3.38Å |
| 275 | E | 67.7 | Low | 70.2 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.2 | -48.2 | 177.3 | -169.4 | -172.7 | 163.7 | 0 | 0 | 111.6 | M271 T273 I277 S278 I279 | M271-E275 PolarHBondContact O-N 3.49Å; T273-E275 PolarHBondContact O-N 2.77Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 2.92Å; E275-S278 WeakPolarHBondContact O-CB 3.34Å; E275-S278 PolarHBondContact O-N 3.24Å; E275-S278 VanDerWaalsContact O-N 3.12Å; E275-I279 WeakPolarHBondContact O-CG1 3.42Å; E275-I279 PolarHBondContact O-N 3.4Å |
| 276 | K | 70 | Confident | 70.4 | Confident | 118 Ų | 118 | 83.7 Ų | 83.7 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.4 | -70.2 | 173.3 | -171.4 | 164.5 | 0 | 111.8 | E272 T273 I279 V280 | E272-K276 WeakPolarHBondContact O-CG 3.19Å; E272-K276 PolarHBondContact O-N 2.91Å; E272-K276 WeakPolarHBondContact OE1-CE 3.3Å; E272-K276 IonicContact OE1-NZ 2.76Å; E272-K276 PolarHBondContact OE1-NZ 2.95Å; T273-K276 PolarHBondContact O-N 3.22Å; K276-I279 PolarHBondContact O-N 3.41Å; K276-V280 WeakPolarHBondContact O-CG2 3.46Å; K276-V280 PolarHBondContact O-N 2.86Å; K276-V280 VanDerWaalsContact O-N 3.12Å |
| 277 | I | 70.2 | Confident | 70.5 | Confident | 39 Ų | 39 | 83.9 Ų | 83.9 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 174.4 | -73.2 | 161.8 | 0 | 0 | 0 | 109.4 | L264 I269 T273 M274 E275 I279 V280 I281 | L264-I277 HydrophobicContact CD1-CD1 4.07Å; L264-I277 HydrophobicContact CD1-CG1 4.48Å; L264-I277 HydrophobicContact CD1-CG2 3.92Å; I269-I277 HydrophobicContact CD1-CD1 3.91Å; I269-I277 HydrophobicContact CG2-CD1 4.29Å; T273-I277 HydrophobicContact CG2-CD1 3.77Å; T273-I277 HydrophobicContact CG2-CG1 4.43Å; T273-I277 WeakPolarHBondContact O-CB 3.32Å; T273-I277 WeakPolarHBondContact O-CD1 3.41Å; T273-I277 WeakPolarHBondContact O-CG1 3.38Å; T273-I277 PolarHBondContact O-N 2.94Å; M274-I277 PolarHBondContact O-N 3.36Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 2.92Å; I277-I279 PolarHBondContact O-N 2.99Å; I277-V280 WeakPolarHBondContact O-CB 3.32Å; I277-V280 PolarHBondContact O-N 3.12Å; I277-V280 VanDerWaalsContact O-N 3.1Å; I277-I281 HydrophobicContact CG2-CD1 3.37Å; I277-I281 HydrophobicContact CG2-CG1 4.19Å; I277-I281 VanDerWaalsContact O-CD1 3.29Å; I277-I281 WeakPolarHBondContact O-CD1 3.42Å; I277-I281 WeakPolarHBondContact O-CG1 3.34Å; I277-I281 PolarHBondContact O-N 3.22Å |
| 278 | S | 68.9 | Low | 70.6 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54.8 | -47.4 | 178.9 | -170 | 0 | 0 | 0 | 0 | 112.3 | M274 E275 V280 I281 Y282 | M274-S278 WeakPolarHBondContact O-CB 3.44Å; M274-S278 PolarHBondContact O-N 3.38Å; E275-S278 WeakPolarHBondContact O-CB 3.34Å; E275-S278 PolarHBondContact O-N 3.24Å; E275-S278 VanDerWaalsContact O-N 3.12Å; S278-V280 PolarHBondContact O-N 3.5Å; S278-I281 WeakPolarHBondContact O-CB 3.33Å; S278-I281 PolarHBondContact O-N 3.31Å; S278-I281 VanDerWaalsContact O-N 3.14Å; S278-Y282 WeakPolarHBondContact O-CD2 3.41Å; S278-Y282 PolarHBondContact O-N 3.4Å; S278-Y282 WeakPolarHBondContact OG-CE2 3.39Å |
| 279 | I | 69.9 | Low | 71.1 | Confident | 80 Ų | 80 | 71 Ų | 71 | 41% | 0.41 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 176.5 | -65.6 | 168.5 | 0 | 0 | 0 | 111.2 | E275 K276 I277 I281 Y282 V283 | E275-I279 WeakPolarHBondContact O-CG1 3.42Å; E275-I279 PolarHBondContact O-N 3.4Å; K276-I279 PolarHBondContact O-N 3.41Å; I277-I279 PolarHBondContact O-N 2.99Å; I279-I281 PolarHBondContact O-N 3.14Å; I279-Y282 PolarHBondContact O-N 3.26Å; I279-V283 HydrophobicContact CG2-CG2 4.36Å; I279-V283 WeakPolarHBondContact O-CG2 3.34Å; I279-V283 PolarHBondContact O-N 3.19Å |
| 280 | V | 69.3 | Low | 71.7 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.5 | -39.7 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | K276 I277 S278 A284 | K276-V280 WeakPolarHBondContact O-CG2 3.46Å; K276-V280 PolarHBondContact O-N 2.86Å; K276-V280 VanDerWaalsContact O-N 3.12Å; I277-V280 WeakPolarHBondContact O-CB 3.32Å; I277-V280 PolarHBondContact O-N 3.12Å; I277-V280 VanDerWaalsContact O-N 3.1Å; S278-V280 PolarHBondContact O-N 3.5Å; V280-A284 WeakPolarHBondContact O-CB 3.29Å; V280-A284 PolarHBondContact O-N 2.87Å |
| 281 | I | 72.4 | Confident | 72 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 178.1 | -63.2 | 161.7 | 0 | 0 | 0 | 110.9 | P261 I277 S278 I279 A284 D285 | P261-I281 HydrophobicContact CB-CD1 3.29Å; P261-I281 HydrophobicContact CB-CG1 3.8Å; P261-I281 HydrophobicContact CB-CG2 3.99Å; P261-I281 HydrophobicContact CG-CB 4.08Å; P261-I281 HydrophobicContact CG-CD1 3.34Å; P261-I281 HydrophobicContact CG-CG1 3.24Å; P261-I281 HydrophobicContact CG-CG2 3.7Å; I277-I281 HydrophobicContact CG2-CD1 3.37Å; I277-I281 HydrophobicContact CG2-CG1 4.19Å; I277-I281 VanDerWaalsContact O-CD1 3.29Å; I277-I281 WeakPolarHBondContact O-CD1 3.42Å; I277-I281 WeakPolarHBondContact O-CG1 3.34Å; I277-I281 PolarHBondContact O-N 3.22Å; S278-I281 WeakPolarHBondContact O-CB 3.33Å; S278-I281 PolarHBondContact O-N 3.31Å; S278-I281 VanDerWaalsContact O-N 3.14Å; I279-I281 PolarHBondContact O-N 3.14Å; I281-A284 PolarHBondContact O-N 3.07Å; I281-A284 VanDerWaalsContact O-N 3.14Å; I281-D285 PolarHBondContact O-N 3.06Å |
| 282 | Y | 69.2 | Low | 72.7 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.4 | -50 | 176.9 | -84.6 | -64.4 | 0 | 0 | 0 | 111.6 | F82 S278 I279 A284 D285 I286 | F82-Y282 HydrophobicContact CE1-CE1 4.3Å; F82-Y282 HydrophobicContact CZ-CE1 4.24Å; S278-Y282 WeakPolarHBondContact O-CD2 3.41Å; S278-Y282 PolarHBondContact O-N 3.4Å; S278-Y282 WeakPolarHBondContact OG-CE2 3.39Å; I279-Y282 PolarHBondContact O-N 3.26Å; Y282-A284 PolarHBondContact O-N 3.34Å; Y282-D285 PolarHBondContact O-N 3.13Å; Y282-I286 WeakPolarHBondContact O-CD1 3.3Å; Y282-I286 VanDerWaalsContact O-CG1 3.25Å; Y282-I286 WeakPolarHBondContact O-CG1 3.24Å; Y282-I286 PolarHBondContact O-N 3.3Å |
| 283 | V | 71 | Confident | 73.3 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I279 I286 L287 | I279-V283 HydrophobicContact CG2-CG2 4.36Å; I279-V283 WeakPolarHBondContact O-CG2 3.34Å; I279-V283 PolarHBondContact O-N 3.19Å; V283-I286 WeakPolarHBondContact O-CB 3.37Å; V283-I286 PolarHBondContact O-N 3.17Å; V283-L287 HydrophobicContact CG1-CD1 4.29Å; V283-L287 VanDerWaalsContact O-CG 3.31Å; V283-L287 WeakPolarHBondContact O-CG 3.45Å; V283-L287 PolarHBondContact O-N 3.24Å |
| 284 | A | 72.1 | Confident | 73.8 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.9 | -36.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F257 V280 I281 Y282 L287 N288 | F257-A284 HydrophobicContact CB-CB 3.84Å; F257-A284 HydrophobicContact CD1-CB 3.17Å; F257-A284 HydrophobicContact CD2-CB 3.67Å; F257-A284 HydrophobicContact CE1-CB 3.39Å; F257-A284 HydrophobicContact CE2-CB 3.83Å; F257-A284 HydrophobicContact CG-CB 3.32Å; F257-A284 HydrophobicContact CZ-CB 3.72Å; V280-A284 WeakPolarHBondContact O-CB 3.29Å; V280-A284 PolarHBondContact O-N 2.87Å; I281-A284 PolarHBondContact O-N 3.07Å; I281-A284 VanDerWaalsContact O-N 3.14Å; Y282-A284 PolarHBondContact O-N 3.34Å; A284-L287 PolarHBondContact O-N 2.99Å; A284-N288 WeakPolarHBondContact O-CB 3.35Å; A284-N288 PolarHBondContact O-N 2.95Å |
| 285 | D | 75.2 | Confident | 74.4 | Confident | 42 Ų | 42 | 54 Ų | 54 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.3 | -164.8 | 30.3 | 0 | 0 | 0 | 111 | Y39 I281 Y282 L287 N288 M289 | Y39-D285 VanDerWaalsContact OH-CG 3.23Å; Y39-D285 PolarHBondContact OH-OD2 3.37Å; I281-D285 PolarHBondContact O-N 3.06Å; Y282-D285 PolarHBondContact O-N 3.13Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 3.14Å; D285-N288 WeakPolarHBondContact O-CB 3.49Å; D285-N288 PolarHBondContact O-N 3.44Å; D285-N288 VanDerWaalsContact O-N 3.13Å; D285-M289 WeakPolarHBondContact O-CG 3.45Å; D285-M289 PolarHBondContact O-N 2.68Å |
| 286 | I | 75.1 | Confident | 74.9 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.7 | -51.8 | 169.2 | -69.8 | 157.5 | 0 | 0 | 0 | 110.6 | Y39 I42 Y282 V283 N288 M289 A290 | Y39-I286 HydrophobicContact CD1-CG1 4.35Å; Y39-I286 HydrophobicContact CD2-CB 4.09Å; Y39-I286 HydrophobicContact CD2-CD1 4.16Å; Y39-I286 HydrophobicContact CD2-CG1 3.14Å; Y39-I286 HydrophobicContact CE2-CB 4.17Å; Y39-I286 HydrophobicContact CE2-CG1 3.5Å; Y39-I286 HydrophobicContact CG-CD1 4.17Å; Y39-I286 HydrophobicContact CG-CG1 3.6Å; I42-I286 HydrophobicContact CD1-CG2 4.29Å; I42-I286 HydrophobicContact CG2-CG2 4.27Å; Y282-I286 WeakPolarHBondContact O-CD1 3.3Å; Y282-I286 VanDerWaalsContact O-CG1 3.25Å; Y282-I286 WeakPolarHBondContact O-CG1 3.24Å; Y282-I286 PolarHBondContact O-N 3.3Å; V283-I286 WeakPolarHBondContact O-CB 3.37Å; V283-I286 PolarHBondContact O-N 3.17Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.46Å; I286-M289 PolarHBondContact O-N 3.36Å; I286-A290 WeakPolarHBondContact O-CB 3.49Å; I286-A290 PolarHBondContact O-N 2.88Å |
| 287 | L | 74.5 | Confident | 75.4 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 49% | 0.487 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 179.2 | -71.6 | 174.2 | 0 | 0 | 0 | 111.1 | V283 A284 D285 T291 | V283-L287 HydrophobicContact CG1-CD1 4.29Å; V283-L287 VanDerWaalsContact O-CG 3.31Å; V283-L287 WeakPolarHBondContact O-CG 3.45Å; V283-L287 PolarHBondContact O-N 3.24Å; A284-L287 PolarHBondContact O-N 2.99Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 3.14Å; L287-T291 WeakPolarHBondContact O-CB 3Å; L287-T291 WeakPolarHBondContact O-CG2 2.82Å; L287-T291 PolarHBondContact O-N 3.11Å; L287-T291 PolarHBondContact O-OG1 3.16Å |
| 288 | N | 78.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 177.7 | -179.9 | 48.2 | 0 | 0 | 0 | 111.3 | Y71 A284 D285 I286 A290 T291 F292 | Y71-N288 PolarHBondContact OH-ND2 3.08Å; Y71-N288 VanDerWaalsContact OH-ND2 3.07Å; A284-N288 WeakPolarHBondContact O-CB 3.35Å; A284-N288 PolarHBondContact O-N 2.95Å; D285-N288 WeakPolarHBondContact O-CB 3.49Å; D285-N288 PolarHBondContact O-N 3.44Å; D285-N288 VanDerWaalsContact O-N 3.13Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.46Å; N288-A290 PolarHBondContact O-N 3.48Å; N288-T291 PolarHBondContact O-OG1 2.81Å; N288-F292 WeakPolarHBondContact O-CB 3.38Å; N288-F292 PolarHBondContact O-N 3.19Å |
| 289 | M | 78.4 | Confident | 76.2 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 178.8 | -68.6 | -163.5 | -176.5 | 0 | 0 | 112.7 | Y39 A43 N75 T78 D285 I286 | Y39-M289 HydrophobicContact CE2-SD 3.85Å; Y39-M289 WeakPolarHBondContact OH-CE 3.2Å; Y39-M289 PolarHBondContact OH-SD 3Å; Y39-M289 VanDerWaalsContact OH-SD 3.32Å; A43-M289 HydrophobicContact CB-SD 3.59Å; A43-M289 VanDerWaalsContact CB-SD 3.59Å; N75-M289 HydrophobicContact CB-SD 3.95Å; N75-M289 WeakPolarHBondContact OD1-CE 3.33Å; T78-M289 HydrophobicContact CG2-CE 3.92Å; D285-M289 WeakPolarHBondContact O-CG 3.45Å; D285-M289 PolarHBondContact O-N 2.68Å; I286-M289 PolarHBondContact O-N 3.36Å |
| 290 | A | 79.3 | Confident | 76.7 | Confident | 26 Ų | 26 | 43 Ų | 43 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I42 I286 N288 F292 V293 L294 | I42-A290 HydrophobicContact CG2-CB 3.96Å; I286-A290 WeakPolarHBondContact O-CB 3.49Å; I286-A290 PolarHBondContact O-N 2.88Å; N288-A290 PolarHBondContact O-N 3.48Å; A290-F292 VanDerWaalsContact C-N 3.35Å; A290-F292 PolarHBondContact O-N 2.84Å; A290-V293 PolarHBondContact O-N 3.4Å; A290-L294 WeakPolarHBondContact O-CG 3.44Å; A290-L294 PolarHBondContact O-N 3.03Å |
| 291 | T | 77.8 | Confident | 77.2 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 20% | 0.202 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -32.7 | -178.4 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | L287 N288 V293 L294 I295 | L287-T291 WeakPolarHBondContact O-CB 3Å; L287-T291 WeakPolarHBondContact O-CG2 2.82Å; L287-T291 PolarHBondContact O-N 3.11Å; L287-T291 PolarHBondContact O-OG1 3.16Å; N288-T291 PolarHBondContact O-OG1 2.81Å; T291-V293 PolarHBondContact O-N 3.24Å; T291-L294 PolarHBondContact O-N 3.18Å; T291-I295 WeakPolarHBondContact O-CB 3.34Å; T291-I295 WeakPolarHBondContact O-CG1 3.46Å; T291-I295 PolarHBondContact O-N 2.7Å |
| 292 | F | 80.2 | Confident | 77.7 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53 | -52.6 | 175.4 | 176.3 | -87.9 | 0 | 0 | 0 | 111.6 | L50 V68 Y71 L250 N288 A290 L294 F296 | L50-F292 HydrophobicContact CD2-CD1 4.29Å; L50-F292 HydrophobicContact CD2-CE1 3.88Å; V68-F292 HydrophobicContact CB-CZ 4.46Å; V68-F292 HydrophobicContact CG1-CE1 3.98Å; V68-F292 HydrophobicContact CG1-CZ 3.88Å; V68-F292 HydrophobicContact CG2-CZ 4.21Å; Y71-F292 AromaticContact CD1-CD1 3.83Å; Y71-F292 HydrophobicContact CD1-CD1 3.83Å; Y71-F292 AromaticContact CD1-CD2 3.88Å; Y71-F292 HydrophobicContact CD1-CD2 3.88Å; Y71-F292 AromaticContact CD1-CE1 3.55Å; Y71-F292 HydrophobicContact CD1-CE1 3.55Å; Y71-F292 AromaticContact CD1-CE2 3.62Å; Y71-F292 HydrophobicContact CD1-CE2 3.62Å; Y71-F292 HydrophobicContact CD1-CG 4.01Å; Y71-F292 AromaticContact CD1-CZ 3.45Å; Y71-F292 HydrophobicContact CD1-CZ 3.45Å; Y71-F292 VanDerWaalsContact CD1-CZ 3.45Å; Y71-F292 HydrophobicContact CE1-CB 4.33Å; Y71-F292 AromaticContact CE1-CD1 3.92Å; Y71-F292 HydrophobicContact CE1-CD1 3.92Å; Y71-F292 AromaticContact CE1-CD2 3.58Å; Y71-F292 HydrophobicContact CE1-CD2 3.58Å; Y71-F292 HydrophobicContact CE1-CE1 4.11Å; Y71-F292 AromaticContact CE1-CE2 3.79Å; Y71-F292 HydrophobicContact CE1-CE2 3.79Å; Y71-F292 AromaticContact CE1-CG 3.68Å; Y71-F292 HydrophobicContact CE1-CG 3.68Å; Y71-F292 HydrophobicContact CE1-CZ 4.06Å; Y71-F292 HydrophobicContact CG-CZ 4.32Å; L250-F292 HydrophobicContact CB-CD2 4.48Å; L250-F292 HydrophobicContact CD1-CD2 3.41Å; L250-F292 VanDerWaalsContact CD1-CD2 3.41Å; L250-F292 HydrophobicContact CD1-CE2 3.55Å; L250-F292 HydrophobicContact CD1-CG 4.43Å; L250-F292 HydrophobicContact CD2-CB 3.98Å; L250-F292 HydrophobicContact CD2-CD2 3.72Å; L250-F292 HydrophobicContact CD2-CG 4.26Å; L250-F292 HydrophobicContact CG-CD2 4.03Å; N288-F292 WeakPolarHBondContact O-CB 3.38Å; N288-F292 PolarHBondContact O-N 3.19Å; A290-F292 VanDerWaalsContact C-N 3.35Å; A290-F292 PolarHBondContact O-N 2.84Å; F292-L294 PolarHBondContact O-N 3.21Å; F292-F296 WeakPolarHBondContact O-CB 3.36Å; F292-F296 PolarHBondContact O-N 2.89Å |
| 293 | V | 81.1 | Confident | 78.4 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | -179.1 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | P46 N47 L50 A290 T291 S297 | P46-V293 HydrophobicContact CB-CB 4.2Å; P46-V293 HydrophobicContact CB-CG1 4.03Å; P46-V293 HydrophobicContact CB-CG2 4.14Å; N47-V293 VanDerWaalsContact OD1-CG2 3.31Å; N47-V293 WeakPolarHBondContact OD1-CG2 3.21Å; L50-V293 HydrophobicContact CB-CG1 4.06Å; L50-V293 HydrophobicContact CB-CG2 4.45Å; L50-V293 HydrophobicContact CD2-CB 4.46Å; L50-V293 HydrophobicContact CD2-CG1 4.38Å; L50-V293 HydrophobicContact CD2-CG2 3.95Å; A290-V293 PolarHBondContact O-N 3.4Å; T291-V293 PolarHBondContact O-N 3.24Å; V293-S297 WeakPolarHBondContact O-CB 3.43Å; V293-S297 PolarHBondContact O-N 3.43Å; V293-S297 PolarHBondContact O-OG 2.99Å |
| 294 | L | 81.8 | Confident | 79.1 | Confident | 117 Ų | 117 | 42 Ų | 42 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.8 | -48.3 | -178.5 | -67 | 176.2 | 0 | 0 | 0 | 112 | A290 T291 F292 S297 A298 | A290-L294 WeakPolarHBondContact O-CG 3.44Å; A290-L294 PolarHBondContact O-N 3.03Å; T291-L294 PolarHBondContact O-N 3.18Å; F292-L294 PolarHBondContact O-N 3.21Å; L294-S297 PolarHBondContact O-OG 3.33Å; L294-A298 WeakPolarHBondContact O-CB 3.49Å; L294-A298 PolarHBondContact O-N 3.15Å |
| 295 | I | 79.8 | Confident | 79.8 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -49.5 | 180 | -69.6 | 173 | 0 | 0 | 0 | 109.6 | Y249 T291 S297 A298 I299 | Y249-I295 HydrophobicContact CD1-CD1 3.35Å; Y249-I295 HydrophobicContact CE1-CD1 3.3Å; Y249-I295 HydrophobicContact CG-CD1 4.45Å; T291-I295 WeakPolarHBondContact O-CB 3.34Å; T291-I295 WeakPolarHBondContact O-CG1 3.46Å; T291-I295 PolarHBondContact O-N 2.7Å; I295-S297 VanDerWaalsContact C-N 3.34Å; I295-S297 PolarHBondContact O-N 2.86Å; I295-A298 PolarHBondContact O-N 3.15Å; I295-I299 HydrophobicContact CG2-CD1 3.37Å; I295-I299 HydrophobicContact CG2-CG1 4.42Å; I295-I299 WeakPolarHBondContact O-CB 3.36Å; I295-I299 VanDerWaalsContact O-CD1 3.3Å; I295-I299 WeakPolarHBondContact O-CD1 3.48Å; I295-I299 VanDerWaalsContact O-CG1 3.22Å; I295-I299 WeakPolarHBondContact O-CG1 3.42Å; I295-I299 PolarHBondContact O-N 3.47Å |
| 296 | F | 78.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | -177.4 | -163.7 | -101 | 0 | 0 | 0 | 112.2 | L50 Y65 V68 L247 F292 N300 L303 | L50-F296 HydrophobicContact CD1-CD1 4.46Å; Y65-F296 HydrophobicContact CD1-CE1 4.02Å; Y65-F296 HydrophobicContact CD1-CZ 4.27Å; Y65-F296 AromaticContact CE1-CE1 3.79Å; Y65-F296 HydrophobicContact CE1-CE1 3.79Å; Y65-F296 HydrophobicContact CE1-CZ 4.05Å; V68-F296 HydrophobicContact CB-CE1 4.12Å; V68-F296 HydrophobicContact CB-CZ 4.19Å; V68-F296 HydrophobicContact CG1-CD1 3.78Å; V68-F296 HydrophobicContact CG1-CE1 3.57Å; V68-F296 HydrophobicContact CG1-CG 4.46Å; V68-F296 HydrophobicContact CG1-CZ 4.1Å; V68-F296 HydrophobicContact CG2-CD1 4.49Å; V68-F296 HydrophobicContact CG2-CD2 4.37Å; V68-F296 HydrophobicContact CG2-CE1 3.86Å; V68-F296 HydrophobicContact CG2-CE2 3.72Å; V68-F296 HydrophobicContact CG2-CZ 3.46Å; V68-F296 VanDerWaalsContact CG2-CZ 3.46Å; L247-F296 HydrophobicContact CD2-CD2 4.17Å; L247-F296 HydrophobicContact CD2-CE2 4.14Å; F292-F296 WeakPolarHBondContact O-CB 3.36Å; F292-F296 PolarHBondContact O-N 2.89Å; F296-N300 WeakPolarHBondContact CD2-ND2 3.46Å; F296-N300 VanDerWaalsContact CE2-ND2 3.31Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.27Å; F296-N300 VanDerWaalsContact CZ-ND2 3.29Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.48Å; F296-N300 WeakPolarHBondContact O-CB 3.22Å; F296-N300 PolarHBondContact O-N 2.79Å; F296-N300 PolarHBondContact O-ND2 3.35Å; F296-L303 HydrophobicContact CD1-CD1 3.19Å; F296-L303 HydrophobicContact CE1-CD1 3.32Å; F296-L303 HydrophobicContact CE1-CG 4.49Å; F296-L303 HydrophobicContact CG-CD1 4.35Å |
| 297 | S | 79.9 | Confident | 80.8 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.3 | -37.9 | 175 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | V293 L294 I295 F307 | V293-S297 WeakPolarHBondContact O-CB 3.43Å; V293-S297 PolarHBondContact O-N 3.43Å; V293-S297 PolarHBondContact O-OG 2.99Å; L294-S297 PolarHBondContact O-OG 3.33Å; I295-S297 VanDerWaalsContact C-N 3.34Å; I295-S297 PolarHBondContact O-N 2.86Å; S297-F307 VanDerWaalsContact CB-CE2 3.48Å |
| 298 | A | 79.3 | Confident | 81.3 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L294 I295 | L294-A298 WeakPolarHBondContact O-CB 3.49Å; L294-A298 PolarHBondContact O-N 3.15Å; I295-A298 PolarHBondContact O-N 3.15Å |
| 299 | I | 76.9 | Confident | 81.6 | Confident | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.9 | -40.2 | -178.2 | -72.6 | 160.7 | 0 | 0 | 0 | 112.1 | R246 I295 P301 | R246-I299 HydrophobicContact CB-CD1 3.79Å; R246-I299 HydrophobicContact CG-CD1 4.26Å; I295-I299 HydrophobicContact CG2-CD1 3.37Å; I295-I299 HydrophobicContact CG2-CG1 4.42Å; I295-I299 WeakPolarHBondContact O-CB 3.36Å; I295-I299 VanDerWaalsContact O-CD1 3.3Å; I295-I299 WeakPolarHBondContact O-CD1 3.48Å; I295-I299 VanDerWaalsContact O-CG1 3.22Å; I295-I299 WeakPolarHBondContact O-CG1 3.42Å; I295-I299 PolarHBondContact O-N 3.47Å; I299-P301 WeakPolarHBondContact O-CD 2.84Å |
| 300 | N | 80.9 | Confident | 81.8 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | trans | -95.1 | 108.9 | -170.7 | -71.6 | -76.2 | 0 | 0 | 0 | 110.9 | Y65 F296 E302 L303 R304 | Y65-N300 PolarHBondContact OH-OD1 2.95Å; F296-N300 WeakPolarHBondContact CD2-ND2 3.46Å; F296-N300 VanDerWaalsContact CE2-ND2 3.31Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.27Å; F296-N300 VanDerWaalsContact CZ-ND2 3.29Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.48Å; F296-N300 WeakPolarHBondContact O-CB 3.22Å; F296-N300 PolarHBondContact O-N 2.79Å; F296-N300 PolarHBondContact O-ND2 3.35Å; N300-E302 PolarHBondContact O-N 3.01Å; N300-L303 HydrophobicContact CB-CB 4.18Å; N300-L303 HydrophobicContact CB-CD1 4.04Å; N300-L303 HydrophobicContact CB-CG 4.05Å; N300-L303 PolarHBondContact O-N 2.02Å; N300-R304 PolarHBondContact O-N 2.77Å | ||
| 301 | P | 80.9 | Confident | 81.9 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | -177.2 | 25.5 | -34.5 | 0 | 0 | 0 | 112.7 | I299 R304 K305 | I299-P301 WeakPolarHBondContact O-CD 2.84Å; P301-R304 PolarHBondContact O-N 3.32Å; P301-K305 WeakPolarHBondContact O-CB 3.38Å; P301-K305 PolarHBondContact O-N 3.29Å |
| 302 | E | 82.7 | Confident | 81.9 | Confident | 76 Ų | 76 | 57 Ų | 57 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | -64.1 | -178.5 | -172 | 0 | 0 | 111.5 | L59 K62 N300 G306 | L59-E302 HydrophobicContact CD1-CB 4.18Å; L59-E302 HydrophobicContact CD2-CB 4.42Å; L59-E302 WeakPolarHBondContact CD2-OE2 3.34Å; K62-E302 IonicContact NZ-OE1 3.35Å; K62-E302 PolarHBondContact NZ-OE1 3.02Å; K62-E302 IonicContact NZ-OE2 2.99Å; K62-E302 PolarHBondContact NZ-OE2 3.11Å; N300-E302 PolarHBondContact O-N 3.01Å; E302-G306 PolarHBondContact O-N 3.33Å |
| 303 | L | 83.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.3 | -47.5 | 175.4 | -68.8 | -177.7 | 0 | 0 | 0 | 111.5 | L50 V53 I54 L59 Y65 F296 N300 K305 G306 F307 | L50-L303 HydrophobicContact CD1-CD1 3.7Å; L50-L303 HydrophobicContact CD1-CD2 4.23Å; V53-L303 HydrophobicContact CG1-CD2 3.7Å; I54-L303 HydrophobicContact CG1-CD2 3.77Å; L59-L303 HydrophobicContact CD1-CD2 3.72Å; L59-L303 HydrophobicContact CD1-CG 4.49Å; Y65-L303 HydrophobicContact CE1-CD1 4.09Å; Y65-L303 HydrophobicContact CE1-CD2 4.14Å; Y65-L303 HydrophobicContact CE1-CG 3.91Å; F296-L303 HydrophobicContact CD1-CD1 3.19Å; F296-L303 HydrophobicContact CE1-CD1 3.32Å; F296-L303 HydrophobicContact CE1-CG 4.49Å; F296-L303 HydrophobicContact CG-CD1 4.35Å; N300-L303 HydrophobicContact CB-CB 4.18Å; N300-L303 HydrophobicContact CB-CD1 4.04Å; N300-L303 HydrophobicContact CB-CG 4.05Å; N300-L303 PolarHBondContact O-N 2.02Å; L303-K305 PolarHBondContact O-N 2.93Å; L303-G306 CarbonylContact O-C 3.54Å; L303-G306 WeakPolarHBondContact O-CA 3.47Å; L303-G306 PolarHBondContact O-N 3.41Å; L303-F307 HydrophobicContact CB-CD2 4.39Å; L303-F307 HydrophobicContact CB-CE2 4.37Å; L303-F307 VanDerWaalsContact O-CD2 3.25Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.37Å |
| 304 | R | 86 | Confident | 80 | Confident | 143 Ų | 143 | 73.8 Ų | 73.8 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.7 | -44.1 | 177.5 | -173 | 175.7 | 66.4 | -172 | 1.9 | 111.7 | N300 P301 G306 F307 L308 | N300-R304 PolarHBondContact O-N 2.77Å; P301-R304 PolarHBondContact O-N 3.32Å; R304-G306 VanDerWaalsContact C-N 3.33Å; R304-G306 PolarHBondContact O-N 3.07Å; R304-F307 PolarHBondContact O-N 2.98Å; R304-L308 HydrophobicContact CG-CD1 4.2Å; R304-L308 WeakPolarHBondContact O-CB 3.43Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.26Å; R304-L308 PolarHBondContact O-N 3.34Å |
| 305 | K | 86.4 | Confident | 78.6 | Confident | 137 Ų | 137 | 78.1 Ų | 78.1 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 174.7 | -174.5 | 177.5 | 179.1 | 179.5 | 0 | 111.5 | P301 L303 L308 Q309 | P301-K305 WeakPolarHBondContact O-CB 3.38Å; P301-K305 PolarHBondContact O-N 3.29Å; L303-K305 PolarHBondContact O-N 2.93Å; K305-L308 PolarHBondContact O-N 2.98Å; K305-Q309 VanDerWaalsContact O-CG 3.31Å; K305-Q309 WeakPolarHBondContact O-CG 3.42Å; K305-Q309 PolarHBondContact O-N 2.85Å |
| 306 | G | 83.9 | Confident | 77.4 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | N57 E302 L303 R304 Q309 I310 | N57-G306 WeakPolarHBondContact ND2-CA 3.5Å; E302-G306 PolarHBondContact O-N 3.33Å; L303-G306 CarbonylContact O-C 3.54Å; L303-G306 WeakPolarHBondContact O-CA 3.47Å; L303-G306 PolarHBondContact O-N 3.41Å; R304-G306 VanDerWaalsContact C-N 3.33Å; R304-G306 PolarHBondContact O-N 3.07Å; G306-Q309 PolarHBondContact O-N 3.24Å; G306-I310 WeakPolarHBondContact O-CG1 3.14Å; G306-I310 PolarHBondContact O-N 3.41Å |
| 307 | F | 86.5 | Confident | 76.2 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 20% | 0.202 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 174.9 | -79.6 | -76.3 | 0 | 0 | 0 | 111.8 | F49 L50 V53 S297 L303 R304 Q309 I310 C311 | F49-F307 HydrophobicContact CB-CE1 3.86Å; L50-F307 HydrophobicContact CB-CZ 4.32Å; L50-F307 HydrophobicContact CD1-CE2 4.2Å; L50-F307 HydrophobicContact CD1-CZ 4.29Å; V53-F307 HydrophobicContact CG2-CD1 4.14Å; V53-F307 HydrophobicContact CG2-CD2 4.24Å; V53-F307 HydrophobicContact CG2-CE1 4.19Å; V53-F307 HydrophobicContact CG2-CE2 4.25Å; V53-F307 HydrophobicContact CG2-CG 4.17Å; V53-F307 HydrophobicContact CG2-CZ 4.23Å; S297-F307 VanDerWaalsContact CB-CE2 3.48Å; L303-F307 HydrophobicContact CB-CD2 4.39Å; L303-F307 HydrophobicContact CB-CE2 4.37Å; L303-F307 VanDerWaalsContact O-CD2 3.25Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.37Å; R304-F307 PolarHBondContact O-N 2.98Å; F307-Q309 VanDerWaalsContact C-N 3.28Å; F307-Q309 PolarHBondContact O-N 2.87Å; F307-I310 WeakPolarHBondContact O-CB 3.31Å; F307-I310 PolarHBondContact O-N 3.11Å; F307-C311 PolarHBondContact O-N 3.31Å; F307-C311 PolarHBondContact O-SG 2.99Å |
| 308 | L | 86.1 | Confident | 75.1 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 176.3 | -73.1 | 171.5 | 0 | 0 | 0 | 112.3 | R304 K305 I310 C311 C312 | R304-L308 HydrophobicContact CG-CD1 4.2Å; R304-L308 WeakPolarHBondContact O-CB 3.43Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.26Å; R304-L308 PolarHBondContact O-N 3.34Å; K305-L308 PolarHBondContact O-N 2.98Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 PolarHBondContact O-N 2.65Å; L308-C311 PolarHBondContact O-N 3.26Å; L308-C312 WeakPolarHBondContact O-CB 3.36Å; L308-C312 PolarHBondContact O-N 3.21Å; L308-C312 PolarHBondContact O-SG 2.83Å |
| 309 | Q | 83.8 | Confident | 73.8 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 175.8 | -77.1 | 176.8 | -7.5 | 0 | 0 | 112.9 | K305 G306 F307 R313 | K305-Q309 VanDerWaalsContact O-CG 3.31Å; K305-Q309 WeakPolarHBondContact O-CG 3.42Å; K305-Q309 PolarHBondContact O-N 2.85Å; G306-Q309 PolarHBondContact O-N 3.24Å; F307-Q309 VanDerWaalsContact C-N 3.28Å; F307-Q309 PolarHBondContact O-N 2.87Å; Q309-R313 WeakPolarHBondContact O-CB 3.17Å; Q309-R313 PolarHBondContact O-N 2.85Å; Q309-R313 VanDerWaalsContact O-N 3.14Å |
| 310 | I | 82.9 | Confident | 72.6 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.9 | -48.2 | 175 | -63.8 | 167.1 | 0 | 0 | 0 | 109.8 | Y52 V53 G306 F307 L308 | Y52-I310 HydrophobicContact CD1-CD1 3.59Å; Y52-I310 HydrophobicContact CD1-CG1 4.47Å; Y52-I310 HydrophobicContact CE1-CD1 3.63Å; Y52-I310 HydrophobicContact CE1-CG1 4.03Å; V53-I310 HydrophobicContact CG2-CD1 3.43Å; V53-I310 VanDerWaalsContact CG2-CD1 3.43Å; G306-I310 WeakPolarHBondContact O-CG1 3.14Å; G306-I310 PolarHBondContact O-N 3.41Å; F307-I310 WeakPolarHBondContact O-CB 3.31Å; F307-I310 PolarHBondContact O-N 3.11Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 PolarHBondContact O-N 2.65Å |
| 311 | C | 80.9 | Confident | 71.2 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.8 | -44.3 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | F307 L308 R314 R315 | F307-C311 PolarHBondContact O-N 3.31Å; F307-C311 PolarHBondContact O-SG 2.99Å; L308-C311 PolarHBondContact O-N 3.26Å; C311-R314 PolarHBondContact O-N 3.11Å; C311-R315 PolarHBondContact O-N 3.5Å |
| 312 | C | 77.2 | Confident | 69.3 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.4 | -31.6 | -176.2 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | L308 R314 R315 A316 | L308-C312 WeakPolarHBondContact O-CB 3.36Å; L308-C312 PolarHBondContact O-N 3.21Å; L308-C312 PolarHBondContact O-SG 2.83Å; C312-R314 VanDerWaalsContact C-N 3.25Å; C312-R314 PolarHBondContact O-N 3.17Å; C312-R315 PolarHBondContact O-N 3.04Å; C312-R315 VanDerWaalsContact O-N 3.11Å; C312-A316 PolarHBondContact O-N 3.35Å; C312-A316 VanDerWaalsContact O-N 3.14Å |
| 313 | R | 66.5 | Low | 67.2 | Low | 176 Ų | 176 | 89.8 Ų | 89.8 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -34.2 | 174.2 | -166.9 | 176.6 | -175.1 | -170.4 | 2.2 | 111.4 | Q309 A316 S317 | Q309-R313 WeakPolarHBondContact O-CB 3.17Å; Q309-R313 PolarHBondContact O-N 2.85Å; Q309-R313 VanDerWaalsContact O-N 3.14Å; R313-A316 PolarHBondContact O-N 3.05Å; R313-S317 PolarHBondContact O-N 3.29Å; R313-S317 PolarHBondContact O-OG 2.9Å |
| 314 | R | 56 | Low | 65.4 | Low | 191 Ų | 191 | 95.4 Ų | 95.4 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 170.9 | -100 | -173.4 | -178.3 | -177.4 | 1.5 | 112.5 | C311 C312 A316 S317 V318 | C311-R314 PolarHBondContact O-N 3.11Å; C312-R314 VanDerWaalsContact C-N 3.25Å; C312-R314 PolarHBondContact O-N 3.17Å; R314-A316 VanDerWaalsContact C-N 3.34Å; R314-A316 PolarHBondContact O-N 3.36Å; R314-S317 PolarHBondContact O-N 2.97Å; R314-S317 PolarHBondContact O-OG 3.39Å; R314-S317 VanDerWaalsContact O-OG 3.1Å; R314-V318 WeakPolarHBondContact O-CB 3.49Å; R314-V318 WeakPolarHBondContact O-CG2 3.3Å; R314-V318 PolarHBondContact O-N 3.24Å |
| 315 | R | 52.4 | Low | 63.5 | Low | 207 Ų | 207 | 95.2 Ų | 95.2 | 78% | 0.781 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 175 | -81.6 | -172.2 | -178.6 | 178.2 | 0.9 | 112.3 | C311 C312 A319 | C311-R315 PolarHBondContact O-N 3.5Å; C312-R315 PolarHBondContact O-N 3.04Å; C312-R315 VanDerWaalsContact O-N 3.11Å; R315-A319 VanDerWaalsContact O-CB 3.29Å; R315-A319 WeakPolarHBondContact O-CB 3.29Å; R315-A319 PolarHBondContact O-N 3.07Å |
| 316 | A | 54.1 | Low | 61.5 | Low | 68 Ų | 68 | 98 Ų | 98 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.9 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | C312 R313 R314 S320 | C312-A316 PolarHBondContact O-N 3.35Å; C312-A316 VanDerWaalsContact O-N 3.14Å; R313-A316 PolarHBondContact O-N 3.05Å; R314-A316 VanDerWaalsContact C-N 3.34Å; R314-A316 PolarHBondContact O-N 3.36Å; A316-S320 PolarHBondContact O-N 3.23Å |
| 317 | S | 53.9 | Low | 59.4 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 43% | 0.434 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76 | -32.5 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | R313 R314 S320 S321 | R313-S317 PolarHBondContact O-N 3.29Å; R313-S317 PolarHBondContact O-OG 2.9Å; R314-S317 PolarHBondContact O-N 2.97Å; R314-S317 PolarHBondContact O-OG 3.39Å; R314-S317 VanDerWaalsContact O-OG 3.1Å; S317-S320 PolarHBondContact O-N 3.39Å; S317-S320 PolarHBondContact O-OG 3Å; S317-S321 PolarHBondContact O-N 3.23Å |
| 318 | V | 55.3 | Low | 57.8 | Low | 93 Ų | 93 | 115 Ų | 115 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.5 | -35.4 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | R314 S320 S321 G322 | R314-V318 WeakPolarHBondContact O-CB 3.49Å; R314-V318 WeakPolarHBondContact O-CG2 3.3Å; R314-V318 PolarHBondContact O-N 3.24Å; V318-S320 VanDerWaalsContact C-N 3.26Å; V318-S320 PolarHBondContact O-N 3.18Å; V318-S321 PolarHBondContact O-N 3.48Å; V318-S321 PolarHBondContact O-OG 3.26Å; V318-G322 PolarHBondContact O-N 2.98Å |
| 319 | A | 52.6 | Low | 56.3 | Low | 81 Ų | 81 | 115.9 Ų | 115.9 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.5 | -29.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R315 | R315-A319 VanDerWaalsContact O-CB 3.29Å; R315-A319 WeakPolarHBondContact O-CB 3.29Å; R315-A319 PolarHBondContact O-N 3.07Å |
| 320 | S | 52.5 | Low | 54.9 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.8 | -20.8 | 176.3 | 70 | 0 | 0 | 0 | 0 | 114.2 | A316 S317 V318 | A316-S320 PolarHBondContact O-N 3.23Å; S317-S320 PolarHBondContact O-N 3.39Å; S317-S320 PolarHBondContact O-OG 3Å; V318-S320 VanDerWaalsContact C-N 3.26Å; V318-S320 PolarHBondContact O-N 3.18Å |
| 321 | S | 50.4 | Low | 53.3 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -90.4 | -13.1 | 179.1 | 68.5 | 0 | 0 | 0 | 0 | 114 | S317 V318 G323 | S317-S321 PolarHBondContact O-N 3.23Å; V318-S321 PolarHBondContact O-N 3.48Å; V318-S321 PolarHBondContact O-OG 3.26Å; S321-G323 VanDerWaalsContact C-N 3.32Å; S321-G323 PolarHBondContact O-N 3.4Å |
| 322 | G | 41.7 | Very low | 51.7 | Low | 61 Ų | 61 | 124.6 Ų | 124.6 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -89 | 20 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V318 | V318-G322 PolarHBondContact O-N 2.98Š| ||
| 323 | G | 38.4 | Very low | 50.1 | Low | 58 Ų | 58 | 127.9 Ų | 127.9 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | -62.3 | 130.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S321 T325 | S321-G323 VanDerWaalsContact C-N 3.32Å; S321-G323 PolarHBondContact O-N 3.4Å; G323-T325 PolarHBondContact O-N 2.99Å | ||
| 324 | P | 46.9 | Very low | 49 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -69.5 | 130.2 | -162.7 | 25.5 | -32.9 | 0 | 0 | 0 | 113 | K326 | P324-K326 PolarHBondContact O-N 3.21Š| ||
| 325 | T | 45.9 | Very low | 48.5 | Very low | 139 Ų | 139 | 120 Ų | 120 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -58.6 | 114.2 | 161.7 | 26 | 0 | 0 | 0 | 0 | 108.9 | G323 | G323-T325 PolarHBondContact O-N 2.99Š| ||
| 326 | K | 43.1 | Very low | 48.2 | Very low | 195 Ų | 195 | 113.3 Ų | 113.3 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -62.1 | 133.9 | 176.1 | -75.3 | -178 | 176 | 178.8 | 0 | 109.9 | P324 | P324-K326 PolarHBondContact O-N 3.21Š| ||
| 327 | P | 40.9 | Very low | 47.8 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -74.4 | 128.7 | 166.9 | 30.5 | -29.4 | 0 | 0 | 0 | 109 | ||||
| 328 | K | 51.5 | Low | 47.2 | Very low | 278 Ų | 278 | 122.1 Ų | 122.1 | 100% | 1.209 | 76% | 0.755 | S | S | * | * | trans | -141.4 | 0 | 153.5 | -87.6 | -162.1 | 174.8 | -172.5 | 0 | 108.8 |
Retrieved 328 of 328 residues in 96 ms
(Link to these results)