| 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 | 42.4 | Very low | 38.9 | Very low | 233 Ų | 233 | 163.9 Ų | 163.9 | 100% | 1.148 | 86% | 0.864 | S | S | * | * | 0 | 109.7 | 0 | -78.5 | 163.8 | 145.2 | 0 | 0 | 108.1 | |||||
| 2 | N | 33.2 | Very low | 39 | Very low | 176 Ų | 176 | 160.6 Ų | 160.6 | 94% | 0.941 | 86% | 0.856 | S | S | * | * | trans | -172.7 | 134.9 | 150.8 | -89.9 | -29.6 | 0 | 0 | 0 | 109.9 | ||||
| 3 | R | 45.8 | Very low | 39.4 | Very low | 255 Ų | 255 | 166.2 Ų | 166.2 | 96% | 0.962 | 86% | 0.858 | S | S | * | * | trans | -64.5 | 139.9 | -170.8 | -79.7 | 164.5 | 136.9 | -171.7 | -4.8 | 113.3 | ||||
| 4 | A | 41.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 166.2 Ų | 166.2 | 83% | 0.826 | 85% | 0.849 | S | S | * | * | trans | -131.3 | 102.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | L | 38.8 | Very low | 39.4 | Very low | 170 Ų | 170 | 161.5 Ų | 161.5 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | 30.9 | 105.5 | 144.7 | -72 | 155.4 | 0 | 0 | 0 | 119.4 | S7 | L5-S7 PolarHBondContact O-N 3.34Š| ||
| 6 | F | 43.2 | Very low | 39.7 | Very low | 207 Ų | 207 | 160.2 Ų | 160.2 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | trans | -49.3 | 112.6 | 148.5 | -100.2 | -103.3 | 0 | 0 | 0 | 110.6 | ||||
| 7 | S | 36.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -95.6 | 101 | 158.3 | -163.5 | 0 | 0 | 0 | 0 | 108.5 | L5 M9 | L5-S7 PolarHBondContact O-N 3.34Å; S7-M9 PolarHBondContact O-N 2.84Å | ||
| 8 | K | 37 | Very low | 40.1 | Very low | 166 Ų | 166 | 160.4 Ų | 160.4 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | -73.8 | 99.7 | 176.2 | -176.8 | 176.9 | 172.7 | 178.8 | 0 | 107.8 | T10 | K8-T10 PolarHBondContact O-N 3.01Å; K8-T10 PolarHBondContact O-OG1 3.2Å | ||
| 9 | M | 35 | Very low | 40.6 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -64.8 | 95 | 162.8 | -87.4 | -174.7 | -138.5 | 0 | 0 | 107.6 | S7 A11 | S7-M9 PolarHBondContact O-N 2.84Å; M9-A11 PolarHBondContact O-N 2.78Å | ||
| 10 | T | 34.9 | Very low | 40.8 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 61% | 0.613 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 106.1 | 172.8 | -44.1 | 0 | 0 | 0 | 0 | 104.9 | K8 T12 | K8-T10 PolarHBondContact O-N 3.01Å; K8-T10 PolarHBondContact O-OG1 3.2Å; T10-T12 VanDerWaalsContact C-N 3.34Å; T10-T12 PolarHBondContact O-N 2.88Å | ||
| 11 | A | 39.9 | Very low | 41.3 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -55.3 | 102.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | M9 R13 | M9-A11 PolarHBondContact O-N 2.78Å; A11-R13 PolarHBondContact O-N 3.38Å | ||
| 12 | T | 40.2 | Very low | 41.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -60 | 123.5 | 169 | 29 | 0 | 0 | 0 | 0 | 106.5 | T10 F14 | T10-T12 VanDerWaalsContact C-N 3.34Å; T10-T12 PolarHBondContact O-N 2.88Å; T12-F14 PolarHBondContact O-N 3.24Å | ||
| 13 | R | 44.6 | Very low | 42.5 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -47.1 | 109.6 | 178 | -67.9 | -175.9 | 175.3 | -122.8 | 2.1 | 108.8 | A11 S15 | A11-R13 PolarHBondContact O-N 3.38Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.22Å | ||
| 14 | F | 38.9 | Very low | 42.9 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -63.6 | 99.9 | 156.8 | -98.3 | -94.3 | 0 | 0 | 0 | 105.3 | T12 L16 I204 | T12-F14 PolarHBondContact O-N 3.24Å; F14-L16 PolarHBondContact O-N 3.24Å; F14-I204 HydrophobicContact CZ-CD1 4.33Å | ||
| 15 | S | 39.2 | Very low | 43.4 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -56.4 | 103.4 | 171.8 | -64.4 | 0 | 0 | 0 | 0 | 107.6 | R13 V17 | R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.22Å; S15-V17 PolarHBondContact O-N 2.93Å | ||
| 16 | L | 44 | Very low | 44 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -64.1 | 35.5 | 173 | -86.1 | 159.5 | 0 | 0 | 0 | 112.3 | F14 F18 S19 | F14-L16 PolarHBondContact O-N 3.24Å; L16-F18 PolarHBondContact O-N 2.95Å; L16-S19 WeakPolarHBondContact O-CB 3.46Å; L16-S19 PolarHBondContact O-N 2.87Å |
| 17 | V | 43.4 | Very low | 44.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -79 | -9.1 | -178.4 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | S15 | S15-V17 PolarHBondContact O-N 2.93Š|
| 18 | F | 44.1 | Very low | 44.7 | Very low | 196 Ų | 196 | 122.1 Ų | 122.1 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -87.4 | -3.3 | 167.5 | -92.9 | -83.6 | 0 | 0 | 0 | 114.5 | L16 | L16-F18 PolarHBondContact O-N 2.95Š|
| 19 | S | 48.5 | Very low | 44.9 | Very low | 52 Ų | 52 | 116.6 Ų | 116.6 | 36% | 0.364 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -85.9 | -17.3 | -173.5 | -158 | 0 | 0 | 0 | 0 | 114.1 | L16 V23 | L16-S19 WeakPolarHBondContact O-CB 3.46Å; L16-S19 PolarHBondContact O-N 2.87Å; S19-V23 WeakPolarHBondContact O-CB 3.24Å; S19-V23 WeakPolarHBondContact O-CG2 3.39Å; S19-V23 PolarHBondContact O-N 2.86Å |
| 20 | G | 45.5 | Very low | 45.4 | Very low | 47 Ų | 47 | 113 Ų | 113 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.5 | -46.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | T24 | G20-T24 VanDerWaalsContact O-CG2 3.28Å; G20-T24 WeakPolarHBondContact O-CG2 3.18Å; G20-T24 PolarHBondContact O-N 3.23Å; G20-T24 PolarHBondContact O-OG1 3.05Å |
| 21 | C | 50.2 | Low | 46 | Very low | 92 Ų | 92 | 112.8 Ų | 112.8 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.5 | -34.1 | -170.7 | -144.2 | 0 | 0 | 0 | 0 | 112.9 | T24 L25 | C21-T24 VanDerWaalsContact C-OG1 3.28Å; C21-T24 VanDerWaalsContact CA-OG1 3.24Å; C21-T24 WeakPolarHBondContact CA-OG1 3.45Å; C21-T24 PolarHBondContact O-OG1 3.03Å; C21-L25 WeakPolarHBondContact O-CB 3.17Å; C21-L25 WeakPolarHBondContact O-CD1 3.41Å; C21-L25 VanDerWaalsContact O-CG 3.32Å; C21-L25 WeakPolarHBondContact O-CG 3.2Å; C21-L25 PolarHBondContact O-N 2.92Å |
| 22 | L | 49.3 | Very low | 46.3 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75.7 | -37.4 | -179.1 | -148.3 | 123.3 | 0 | 0 | 0 | 111.4 | L25 L26 I192 P196 | L22-L25 PolarHBondContact O-N 2.97Å; L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 3.17Å; L22-L26 VanDerWaalsContact O-N 3.17Å; L22-I192 HydrophobicContact CD2-CG2 3.71Å; L22-P196 HydrophobicContact CD1-CG 4.28Å |
| 23 | V | 51.4 | Low | 46.4 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 42% | 0.418 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.1 | -38.6 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | S19 L25 L26 I27 | S19-V23 WeakPolarHBondContact O-CB 3.24Å; S19-V23 WeakPolarHBondContact O-CG2 3.39Å; S19-V23 PolarHBondContact O-N 2.86Å; V23-L25 VanDerWaalsContact C-N 3.35Å; V23-L25 PolarHBondContact O-N 3.38Å; V23-L26 PolarHBondContact O-N 3.48Å; V23-I27 HydrophobicContact CG1-CD1 3.48Å; V23-I27 VanDerWaalsContact CG1-CD1 3.48Å; V23-I27 HydrophobicContact CG1-CG1 4.28Å; V23-I27 WeakPolarHBondContact O-CB 3.38Å; V23-I27 WeakPolarHBondContact O-CD1 3.32Å; V23-I27 WeakPolarHBondContact O-CG1 3.47Å; V23-I27 PolarHBondContact O-N 3.03Å |
| 24 | T | 54.3 | Low | 46.3 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.472 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -32.7 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | G20 C21 W28 | G20-T24 VanDerWaalsContact O-CG2 3.28Å; G20-T24 WeakPolarHBondContact O-CG2 3.18Å; G20-T24 PolarHBondContact O-N 3.23Å; G20-T24 PolarHBondContact O-OG1 3.05Å; C21-T24 VanDerWaalsContact C-OG1 3.28Å; C21-T24 VanDerWaalsContact CA-OG1 3.24Å; C21-T24 WeakPolarHBondContact CA-OG1 3.45Å; C21-T24 PolarHBondContact O-OG1 3.03Å; T24-W28 WeakPolarHBondContact O-CB 3.49Å; T24-W28 PolarHBondContact O-N 3.44Å |
| 25 | L | 53 | Low | 46.3 | Very low | 122 Ų | 122 | 106.7 Ų | 106.7 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -38.3 | 175 | -79.8 | 163.1 | 0 | 0 | 0 | 112.2 | C21 L22 V23 G29 | C21-L25 WeakPolarHBondContact O-CB 3.17Å; C21-L25 WeakPolarHBondContact O-CD1 3.41Å; C21-L25 VanDerWaalsContact O-CG 3.32Å; C21-L25 WeakPolarHBondContact O-CG 3.2Å; C21-L25 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 2.97Å; V23-L25 VanDerWaalsContact C-N 3.35Å; V23-L25 PolarHBondContact O-N 3.38Å; L25-G29 PolarHBondContact O-N 3Å |
| 26 | L | 50.3 | Low | 46.1 | Very low | 84 Ų | 84 | 109.3 Ų | 109.3 | 44% | 0.44 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.5 | -36.8 | 176 | -67.1 | 172.2 | 0 | 0 | 0 | 112.4 | L22 V23 C30 I192 | L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 3.17Å; L22-L26 VanDerWaalsContact O-N 3.17Å; V23-L26 PolarHBondContact O-N 3.48Å; L26-C30 PolarHBondContact O-SG 2.71Å; L26-C30 VanDerWaalsContact O-SG 3.36Å; L26-I192 HydrophobicContact CD2-CD1 4.21Å |
| 27 | I | 53.9 | Low | 45.6 | Very low | 116 Ų | 116 | 108.5 Ų | 108.5 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75 | -34.9 | 178 | -63.6 | 168 | 0 | 0 | 0 | 111.5 | V23 | V23-I27 HydrophobicContact CG1-CD1 3.48Å; V23-I27 VanDerWaalsContact CG1-CD1 3.48Å; V23-I27 HydrophobicContact CG1-CG1 4.28Å; V23-I27 WeakPolarHBondContact O-CB 3.38Å; V23-I27 WeakPolarHBondContact O-CD1 3.32Å; V23-I27 WeakPolarHBondContact O-CG1 3.47Å; V23-I27 PolarHBondContact O-N 3.03Å |
| 28 | W | 41.4 | Very low | 45.1 | Very low | 201 Ų | 201 | 109 Ų | 109 | 76% | 0.761 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.7 | -30.3 | 176.7 | -162 | -65.4 | 0 | 0 | 0 | 112.3 | T24 C30 T31 | T24-W28 WeakPolarHBondContact O-CB 3.49Å; T24-W28 PolarHBondContact O-N 3.44Å; W28-C30 VanDerWaalsContact C-N 3.32Å; W28-C30 PolarHBondContact O-N 3.47Å; W28-T31 PolarHBondContact O-OG1 3.01Å; W28-T31 VanDerWaalsContact O-OG1 3.05Å |
| 29 | G | 41.6 | Very low | 44.8 | Very low | 50 Ų | 50 | 106.5 Ų | 106.5 | 52% | 0.515 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -23.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L25 | L25-G29 PolarHBondContact O-N 3Å |
| 30 | C | 45.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 111 Ų | 111 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -8.6 | -177.8 | -67.4 | 0 | 0 | 0 | 0 | 114.8 | L26 W28 | L26-C30 PolarHBondContact O-SG 2.71Å; L26-C30 VanDerWaalsContact O-SG 3.36Å; W28-C30 VanDerWaalsContact C-N 3.32Å; W28-C30 PolarHBondContact O-N 3.47Å |
| 31 | T | 47.9 | Very low | 43.4 | Very low | 97 Ų | 97 | 112.2 Ų | 112.2 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -6.1 | -174.3 | 43.1 | 0 | 0 | 0 | 0 | 114.7 | W28 | W28-T31 PolarHBondContact O-OG1 3.01Å; W28-T31 VanDerWaalsContact O-OG1 3.05Å |
| 32 | N | 46.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 114 Ų | 114 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | trans | -128.8 | 42.9 | -176 | -67.2 | -75.9 | 0 | 0 | 0 | 113.9 | ||||
| 33 | V | 42.2 | Very low | 41.8 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | trans | -116.4 | 83.5 | 159 | -175 | 0 | 0 | 0 | 0 | 107.2 | C35 | V33-C35 PolarHBondContact O-N 3.32Š| ||
| 34 | I | 41.5 | Very low | 41.1 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | trans | -83.3 | 101.8 | 165.8 | -58.3 | 171.1 | 0 | 0 | 0 | 105.1 | L36 | I34-L36 HydrophobicContact CG2-CG 4.37Å; I34-L36 PolarHBondContact O-N 3.43Å; I34-L36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | C | 39.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 124 Ų | 124 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -68.7 | 100 | 161.3 | -62 | 0 | 0 | 0 | 0 | 106.6 | V33 D37 | V33-C35 PolarHBondContact O-N 3.32Å; C35-D37 VanDerWaalsContact C-N 3.33Å; C35-D37 PolarHBondContact O-N 3.42Å; C35-D37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | L | 33.4 | Very low | 39.1 | Very low | 151 Ų | 151 | 125.5 Ų | 125.5 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -75.5 | 94.3 | 166.1 | -108.6 | 156 | 0 | 0 | 0 | 107 | I34 | I34-L36 HydrophobicContact CG2-CG 4.37Å; I34-L36 PolarHBondContact O-N 3.43Å; I34-L36 VanDerWaalsContact O-N 3.08Å | ||
| 37 | D | 34 | Very low | 38.5 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | -65.1 | 128.5 | 158.2 | -171.3 | 80.2 | 0 | 0 | 0 | 107.9 | C35 | C35-D37 VanDerWaalsContact C-N 3.33Å; C35-D37 PolarHBondContact O-N 3.42Å; C35-D37 VanDerWaalsContact O-N 3.12Å | ||
| 38 | N | 34.2 | Very low | 37.3 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -138 | 78.8 | 169.3 | -167.9 | 81.5 | 0 | 0 | 0 | 109.6 | N40 | N38-N40 PolarHBondContact O-N 3.13Š| ||
| 39 | D | 36.6 | Very low | 37 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -64.3 | 113.3 | 152 | -79.3 | -30 | 0 | 0 | 0 | 109.7 | ||||
| 40 | N | 29.2 | Very low | 36.4 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -155.4 | 126.7 | 140.4 | -159 | 10.6 | 0 | 0 | 0 | 112.2 | N38 | N38-N40 PolarHBondContact O-N 3.13Š| ||
| 41 | A | 35.9 | Very low | 35.8 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | trans | -79.9 | 150.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 42 | T | 33.5 | Very low | 34.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 62.8 | 113.1 | 146.8 | -46 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 43 | V | 31.5 | Very low | 34 | Very low | 138 Ų | 138 | 132 Ų | 132 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | -163.1 | 122.1 | 125.6 | 167 | 0 | 0 | 0 | 0 | 109 | |||||
| 44 | Q | 37.8 | Very low | 33.4 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -70.8 | 152 | 158 | -85 | -153.2 | 2.6 | 0 | 0 | 109.8 | ||||
| 45 | P | 39.7 | Very low | 33 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | -160.7 | 176.7 | 66.3 | 40.7 | -17.6 | 0 | 0 | 0 | 119.1 | |||||
| 46 | L | 26.1 | Very low | 32.5 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 94.4 | 110.4 | 143.7 | -153.4 | 67.2 | 0 | 0 | 0 | 119.8 | ||||
| 47 | T | 36.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | trans | -16.9 | 125.5 | 156.7 | -41.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 48 | T | 29.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -148 | 110.9 | 144.1 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | T50 | T48-T50 PolarHBondContact O-N 3.11Š| ||
| 49 | T | 36.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -52.5 | 116.9 | 168 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | V51 | T49-V51 HydrophobicContact CG2-CG2 4.46Š| ||
| 50 | T | 27 | Very low | 32.1 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -141.6 | 95.5 | 154.6 | -19.6 | 0 | 0 | 0 | 0 | 108.8 | T48 K52 | T48-T50 PolarHBondContact O-N 3.11Å; T50-K52 PolarHBondContact O-N 3.3Å | ||
| 51 | V | 33.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 120.9 | 169.9 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | T49 T53 | T49-V51 HydrophobicContact CG2-CG2 4.46Å; V51-T53 PolarHBondContact O-N 2.96Å | ||
| 52 | K | 28.1 | Very low | 32 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -94.7 | 89.1 | 172.1 | -149 | 178.5 | -171.1 | -179.6 | 0 | 107.7 | T50 T54 | T50-K52 PolarHBondContact O-N 3.3Å; K52-T54 PolarHBondContact O-N 3.29Å | ||
| 53 | T | 28.9 | Very low | 32.5 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -75.5 | 104.9 | 174.3 | -40.5 | 0 | 0 | 0 | 0 | 108.6 | V51 | V51-T53 PolarHBondContact O-N 2.96Š| ||
| 54 | T | 29.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -86.5 | 118.2 | 161.7 | -58.6 | 0 | 0 | 0 | 0 | 106.9 | K52 | K52-T54 PolarHBondContact O-N 3.29Š| ||
| 55 | G | 32.3 | Very low | 32.7 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -63.3 | 138.5 | -166 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 56 | Y | 28.4 | Very low | 32.9 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -134.7 | 131.5 | 150.2 | -156.8 | -98.5 | 0 | 0 | 0 | 107.1 | ||||
| 57 | N | 31.3 | Very low | 33.6 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 134.2 | -157.7 | -61.9 | -39.3 | 0 | 0 | 0 | 113.9 | ||||
| 58 | E | 35.9 | Very low | 33.9 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 130.5 | 166.6 | -72.5 | 178.9 | 157.6 | 0 | 0 | 111 | ||||
| 59 | T | 31.9 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -160.7 | 99.9 | 139 | -4.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 60 | Q | 30.6 | Very low | 34.6 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | 170.6 | 108.1 | 124.5 | -91.8 | 164.7 | 87.3 | 0 | 0 | 110.4 | M62 | Q60-M62 PolarHBondContact O-N 3.49Š| |||
| 61 | T | 34.2 | Very low | 35.9 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -54.1 | 118 | 150.7 | 34.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | M | 30.6 | Very low | 37.4 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -136.3 | 114.7 | 148.4 | -77.9 | -156.1 | -169.7 | 0 | 0 | 108.6 | Q60 N64 | Q60-M62 PolarHBondContact O-N 3.49Å; M62-N64 PolarHBondContact O-N 3.29Å; M62-N64 VanDerWaalsContact O-N 3.15Å | ||
| 63 | D | 42.7 | Very low | 39.2 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | trans | -55.4 | 112.2 | 165.2 | -60.4 | -64.3 | 0 | 0 | 0 | 109.1 | ||||
| 64 | N | 35 | Very low | 41.2 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -123.1 | 94.9 | 161.8 | -96.5 | -40 | 0 | 0 | 0 | 108.6 | M62 I66 | M62-N64 PolarHBondContact O-N 3.29Å; M62-N64 VanDerWaalsContact O-N 3.15Å; N64-I66 HydrophobicContact CB-CG1 4.29Å; N64-I66 PolarHBondContact O-N 3.43Å | ||
| 65 | K | 39.8 | Very low | 43.8 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 91% | 0.913 | 69% | 0.694 | S | S | * | * | trans | -62.6 | 82.2 | 162.4 | -168.3 | 179.3 | -173.2 | 179 | 0 | 107.7 | S67 | K65-S67 PolarHBondContact O-N 3.4Š| ||
| 66 | I | 42.3 | Very low | 46.2 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 119.9 | 170.3 | -62.2 | 175.9 | 0 | 0 | 0 | 106.5 | N64 | N64-I66 HydrophobicContact CB-CG1 4.29Å; N64-I66 PolarHBondContact O-N 3.43Å |
| 67 | S | 41.6 | Very low | 48.4 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 136.7 | 177.6 | -149.1 | 0 | 0 | 0 | 0 | 110.5 | K65 | K65-S67 PolarHBondContact O-N 3.4Š|
| 68 | G | 42.6 | Very low | 51.1 | Low | 58 Ų | 58 | 126.4 Ų | 126.4 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66 | 131.1 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 69 | H | 38 | Very low | 53.5 | Low | 168 Ų | 168 | 121.6 Ų | 121.6 | 78% | 0.778 | 67% | 0.665 | S | S | * | * | -135.6 | 126.9 | 112 | -80.7 | -59.6 | 0 | 0 | 0 | 107.3 | L71 | H69-L71 PolarHBondContact O-N 3.37Š| |||
| 70 | Q | 42.1 | Very low | 56.2 | Low | 195 Ų | 195 | 120.4 Ų | 120.4 | 91% | 0.911 | 65% | 0.647 | S | S | * | * | trans | -68.7 | 102.3 | 175.7 | -172.3 | -176.7 | -54.7 | 0 | 0 | 106.9 | Q72 | Q70-Q72 PolarHBondContact O-N 3.36Š| ||
| 71 | L | 54.8 | Low | 59 | Low | 60 Ų | 60 | 113 Ų | 113 | 31% | 0.314 | 61% | 0.613 | S | S | . | * | trans | -55.2 | 134 | 171 | -77.7 | 84.2 | 0 | 0 | 0 | 107.9 | H69 F73 C75 E89 | H69-L71 PolarHBondContact O-N 3.37Å; L71-F73 VanDerWaalsContact CB-O 3.26Å; L71-F73 WeakPolarHBondContact CB-O 3.42Å; L71-F73 HydrophobicContact CD2-CD2 4.3Å; L71-F73 HydrophobicContact CD2-CE2 3.87Å; L71-F73 HydrophobicContact CD2-CZ 4.36Å; L71-F73 PolarHBondContact O-N 3.27Å; L71-C75 HydrophobicContact CD2-CB 4.18Å; L71-E89 HydrophobicContact CD1-CG 4.38Å; L71-E89 WeakPolarHBondContact CD1-OE1 3.48Å; L71-E89 HydrophobicContact CD2-CG 4.04Å; L71-E89 WeakPolarHBondContact CD2-OE1 3.25Å; L71-E89 HydrophobicContact CG-CG 3.94Å | ||
| 72 | Q | 64.9 | Low | 61.6 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -72.7 | -3.7 | 177.6 | -169.7 | 160.8 | -18.3 | 0 | 0 | 112.1 | Q70 | Q70-Q72 PolarHBondContact O-N 3.36Š|
| 73 | F | 65.8 | Low | 64.4 | Low | 26 Ų | 26 | 108 Ų | 108 | 11% | 0.114 | 58% | 0.584 | C | S | . | * | S | Bend | trans | -145 | 150.1 | -177 | 47.2 | -89.3 | 0 | 0 | 0 | 111 | L71 C88 P96 L147 | L71-F73 VanDerWaalsContact CB-O 3.26Å; L71-F73 WeakPolarHBondContact CB-O 3.42Å; L71-F73 HydrophobicContact CD2-CD2 4.3Å; L71-F73 HydrophobicContact CD2-CE2 3.87Å; L71-F73 HydrophobicContact CD2-CZ 4.36Å; L71-F73 PolarHBondContact O-N 3.27Å; F73-C88 HydrophobicContact CE1-CB 4.34Å; F73-C88 HydrophobicContact CE2-CB 4.13Å; F73-C88 HydrophobicContact CZ-CB 3.48Å; F73-C88 VanDerWaalsContact CZ-CB 3.48Å; F73-P96 HydrophobicContact CB-CB 4.36Å; F73-P96 HydrophobicContact CD1-CB 4.01Å; F73-P96 HydrophobicContact CG-CB 4.35Å; F73-L147 HydrophobicContact CD2-CD2 3.98Å; F73-L147 HydrophobicContact CE2-CD2 3.6Å; F73-L147 HydrophobicContact CZ-CD2 4.43Å |
| 74 | P | 71.8 | Confident | 66.5 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | trans | -69.5 | 140.8 | 175.3 | 27.6 | -31.3 | 0 | 0 | 0 | 111.1 | L147 | P74-L147 CarbonylContact O-C 3.12Å; P74-L147 VanDerWaalsContact O-O 3.05Å | ||
| 75 | C | 82.9 | Confident | 69 | Low | 38 Ų | 38 | 94.2 Ų | 94.2 | 26% | 0.257 | 51% | 0.511 | S | S | . | . | trans | -114.6 | 138.3 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | L71 C85 C146 | L71-C75 HydrophobicContact CD2-CB 4.18Å; C75-C85 HydrophobicContact CB-CB 3.87Å; C75-C85 WeakPolarHBondContact CB-SG 3.42Å; C75-C85 WeakPolarHBondContact SG-CB 3.35Å; C75-C85 CovalentContact SG-SG 2.02Å; C75-C85 PolarHBondContact SG-SG 3.04Å; C75-C146 WeakPolarHBondContact CA-O 3.35Å | ||
| 76 | L | 83.6 | Confident | 71.3 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | trans | -75.6 | 141.7 | 174.7 | -115 | 66.3 | 0 | 0 | 0 | 111.9 | D78 C81 C146 | L76-D78 PolarHBondContact O-N 2.91Å; L76-C81 HydrophobicContact CB-CB 4.14Å; L76-C81 WeakPolarHBondContact O-CB 2.98Å; L76-C146 PolarHBondContact N-O 3.4Å | ||
| 77 | N | 75.1 | Confident | 73.4 | Confident | 181 Ų | 181 | 86.7 Ų | 86.7 | 97% | 0.968 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -80.9 | 49.1 | -177.9 | -71.8 | -23.3 | 0 | 0 | 0 | 113.2 | ||
| 78 | D | 86.9 | Confident | 75.4 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -110.5 | 149.5 | 172.2 | 178.2 | -93.5 | 0 | 0 | 0 | 110.4 | L76 Y80 C81 H82 | L76-D78 PolarHBondContact O-N 2.91Å; D78-Y80 VanDerWaalsContact C-N 3.32Å; D78-Y80 PolarHBondContact O-N 2.95Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.34Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.27Å; D78-Y80 PolarHBondContact OD1-N 2.89Å; D78-C81 HydrophobicContact CB-CB 4.09Å; D78-C81 PolarHBondContact O-N 3.29Å; D78-C81 PolarHBondContact OD1-N 3.29Å; D78-H82 WeakPolarHBondContact O-CB 3.28Å; D78-H82 PolarHBondContact O-N 3.27Å |
| 79 | A | 86.2 | Confident | 77.2 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 72% | 0.719 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 80 | Y | 88.2 | Confident | 78.9 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.1 | -48.2 | 172.9 | 168.3 | -102.4 | 0 | 0 | 0 | 110.1 | D78 H82 S83 V84 N142 I143 | D78-Y80 VanDerWaalsContact C-N 3.32Å; D78-Y80 PolarHBondContact O-N 2.95Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.34Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.27Å; D78-Y80 PolarHBondContact OD1-N 2.89Å; Y80-H82 VanDerWaalsContact C-N 3.29Å; Y80-H82 PolarHBondContact O-N 3.39Å; Y80-S83 WeakPolarHBondContact O-CB 3.32Å; Y80-S83 PolarHBondContact O-N 3.25Å; Y80-S83 VanDerWaalsContact O-N 3.11Å; Y80-S83 PolarHBondContact O-OG 3.49Å; Y80-V84 HydrophobicContact CE1-CG2 4.17Å; Y80-V84 HydrophobicContact CE2-CG2 4.34Å; Y80-V84 PolarHBondContact O-N 2.98Å; Y80-N142 HydrophobicContact CE1-CB 4.44Å; Y80-I143 HydrophobicContact CE1-CD1 4.32Å; Y80-I143 VanDerWaalsContact OH-CD1 3.27Å; Y80-I143 WeakPolarHBondContact OH-CD1 3.34Å |
| 81 | C | 90.4 | Very high | 80.1 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.054 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 178.7 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | L76 D78 S83 V84 C85 C146 | L76-C81 HydrophobicContact CB-CB 4.14Å; L76-C81 WeakPolarHBondContact O-CB 2.98Å; D78-C81 HydrophobicContact CB-CB 4.09Å; D78-C81 PolarHBondContact O-N 3.29Å; D78-C81 PolarHBondContact OD1-N 3.29Å; C81-S83 VanDerWaalsContact C-N 3.29Å; C81-S83 PolarHBondContact O-N 3.01Å; C81-V84 PolarHBondContact O-N 3.45Å; C81-V84 VanDerWaalsContact O-N 3.12Å; C81-C85 WeakPolarHBondContact O-CB 3.37Å; C81-C85 PolarHBondContact O-N 3.44Å; C81-C85 PolarHBondContact O-SG 2.9Å; C81-C146 WeakPolarHBondContact CA-SG 3.49Å; C81-C146 HydrophobicContact CB-CB 3.55Å; C81-C146 WeakPolarHBondContact CB-SG 3.44Å; C81-C146 WeakPolarHBondContact SG-CA 3.46Å; C81-C146 WeakPolarHBondContact SG-CB 3.36Å; C81-C146 CovalentContact SG-SG 2.05Å; C81-C146 PolarHBondContact SG-SG 3Å |
| 82 | H | 89.3 | Confident | 80.4 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 176.3 | -166.4 | 66.6 | 0 | 0 | 0 | 112.1 | D78 Y80 V84 K86 | D78-H82 WeakPolarHBondContact O-CB 3.28Å; D78-H82 PolarHBondContact O-N 3.27Å; Y80-H82 VanDerWaalsContact C-N 3.29Å; Y80-H82 PolarHBondContact O-N 3.39Å; H82-V84 VanDerWaalsContact C-N 3.35Å; H82-K86 WeakPolarHBondContact O-CB 3.41Å; H82-K86 PolarHBondContact O-N 3.2Å; H82-K86 VanDerWaalsContact O-N 3.07Å |
| 83 | S | 87.9 | Confident | 80.3 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 174.7 | 74.7 | 0 | 0 | 0 | 0 | 112.5 | Y80 C81 I87 | Y80-S83 WeakPolarHBondContact O-CB 3.32Å; Y80-S83 PolarHBondContact O-N 3.25Å; Y80-S83 VanDerWaalsContact O-N 3.11Å; Y80-S83 PolarHBondContact O-OG 3.49Å; C81-S83 VanDerWaalsContact C-N 3.29Å; C81-S83 PolarHBondContact O-N 3.01Å; S83-I87 WeakPolarHBondContact O-CG1 3.33Å; S83-I87 PolarHBondContact O-N 3.12Å |
| 84 | V | 88.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 4% | 0.036 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | Y80 C81 H82 K86 I87 C88 L103 I143 C146 L147 | Y80-V84 HydrophobicContact CE1-CG2 4.17Å; Y80-V84 HydrophobicContact CE2-CG2 4.34Å; Y80-V84 PolarHBondContact O-N 2.98Å; C81-V84 PolarHBondContact O-N 3.45Å; C81-V84 VanDerWaalsContact O-N 3.12Å; H82-V84 VanDerWaalsContact C-N 3.35Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 2.93Å; V84-I87 WeakPolarHBondContact O-CB 3.37Å; V84-I87 PolarHBondContact O-N 3.08Å; V84-C88 PolarHBondContact O-N 3.45Å; V84-L103 HydrophobicContact CG1-CD1 3.73Å; V84-I143 HydrophobicContact CB-CD1 4.37Å; V84-I143 HydrophobicContact CG1-CD1 3.79Å; V84-I143 HydrophobicContact CG1-CG2 4.2Å; V84-I143 HydrophobicContact CG2-CD1 3.59Å; V84-C146 HydrophobicContact CB-CB 4.37Å; V84-C146 HydrophobicContact CG1-CB 4.21Å; V84-L147 HydrophobicContact CG1-CD2 4.33Å; V84-L147 HydrophobicContact CG1-CG 4.49Å |
| 85 | C | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | C75 C81 I87 C88 E89 C146 | C75-C85 HydrophobicContact CB-CB 3.87Å; C75-C85 WeakPolarHBondContact CB-SG 3.42Å; C75-C85 WeakPolarHBondContact SG-CB 3.35Å; C75-C85 CovalentContact SG-SG 2.02Å; C75-C85 PolarHBondContact SG-SG 3.04Å; C81-C85 WeakPolarHBondContact O-CB 3.37Å; C81-C85 PolarHBondContact O-N 3.44Å; C81-C85 PolarHBondContact O-SG 2.9Å; C85-I87 VanDerWaalsContact C-N 3.29Å; C85-I87 PolarHBondContact O-N 2.9Å; C85-C88 CarbonylContact O-C 3.59Å; C85-C88 WeakPolarHBondContact O-CA 3.28Å; C85-C88 WeakPolarHBondContact O-CB 3.35Å; C85-C88 PolarHBondContact O-N 3.49Å; C85-E89 WeakPolarHBondContact O-CG 3.32Å; C85-E89 PolarHBondContact O-N 3.05Å; C85-C146 PolarHBondContact SG-O 3.26Å; C85-C146 VanDerWaalsContact SG-O 3.41Å |
| 86 | K | 86.4 | Confident | 80.4 | Confident | 125 Ų | 125 | 79 Ų | 79 | 54% | 0.543 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 176.5 | -172.3 | 179.5 | 179 | -177.5 | 0 | 112.8 | H82 V84 C88 E89 D90 | H82-K86 WeakPolarHBondContact O-CB 3.41Å; H82-K86 PolarHBondContact O-N 3.2Å; H82-K86 VanDerWaalsContact O-N 3.07Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 2.93Å; K86-C88 PolarHBondContact O-N 3.39Å; K86-E89 PolarHBondContact O-N 3.38Å; K86-D90 PolarHBondContact O-N 3.35Å |
| 87 | I | 86.6 | Confident | 80.4 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 175.4 | -65.6 | 163.8 | 0 | 0 | 0 | 110.6 | S83 V84 C85 Y102 L103 | S83-I87 WeakPolarHBondContact O-CG1 3.33Å; S83-I87 PolarHBondContact O-N 3.12Å; V84-I87 WeakPolarHBondContact O-CB 3.37Å; V84-I87 PolarHBondContact O-N 3.08Å; C85-I87 VanDerWaalsContact C-N 3.29Å; C85-I87 PolarHBondContact O-N 2.9Å; I87-Y102 HydrophobicContact CG2-CD1 4.49Å; I87-Y102 HydrophobicContact CG2-CE1 4.18Å; I87-L103 HydrophobicContact CB-CD2 4.46Å; I87-L103 HydrophobicContact CD1-CD2 4.22Å; I87-L103 HydrophobicContact CG2-CD2 3.96Å |
| 88 | C | 84.3 | Confident | 81 | Confident | 7 Ų | 7 | 73.7 Ų | 73.7 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78 | -23.8 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 114 | F73 V84 C85 K86 D90 C99 L147 | F73-C88 HydrophobicContact CE1-CB 4.34Å; F73-C88 HydrophobicContact CE2-CB 4.13Å; F73-C88 HydrophobicContact CZ-CB 3.48Å; F73-C88 VanDerWaalsContact CZ-CB 3.48Å; V84-C88 PolarHBondContact O-N 3.45Å; C85-C88 CarbonylContact O-C 3.59Å; C85-C88 WeakPolarHBondContact O-CA 3.28Å; C85-C88 WeakPolarHBondContact O-CB 3.35Å; C85-C88 PolarHBondContact O-N 3.49Å; K86-C88 PolarHBondContact O-N 3.39Å; C88-D90 VanDerWaalsContact C-N 3.33Å; C88-C99 WeakPolarHBondContact CA-SG 3.27Å; C88-C99 HydrophobicContact CB-CB 3.76Å; C88-C99 WeakPolarHBondContact CB-SG 3.28Å; C88-C99 WeakPolarHBondContact SG-CB 3.33Å; C88-C99 CovalentContact SG-SG 2.02Å; C88-C99 PolarHBondContact SG-SG 3.22Å; C88-L147 HydrophobicContact CB-CD2 4.39Å |
| 89 | E | 80.8 | Confident | 81.2 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.6 | -27 | 178.2 | -77 | 172.6 | -159.3 | 0 | 0 | 113.1 | L71 C85 K86 H91 | L71-E89 HydrophobicContact CD1-CG 4.38Å; L71-E89 WeakPolarHBondContact CD1-OE1 3.48Å; L71-E89 HydrophobicContact CD2-CG 4.04Å; L71-E89 WeakPolarHBondContact CD2-OE1 3.25Å; L71-E89 HydrophobicContact CG-CG 3.94Å; C85-E89 WeakPolarHBondContact O-CG 3.32Å; C85-E89 PolarHBondContact O-N 3.05Å; K86-E89 PolarHBondContact O-N 3.38Å; E89-H91 PolarHBondContact O-N 2.9Å |
| 90 | D | 72.3 | Confident | 81.4 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.9 | 179.9 | -75.9 | -16.2 | 0 | 0 | 0 | 113.2 | K86 C88 | K86-D90 PolarHBondContact O-N 3.35Å; C88-D90 VanDerWaalsContact C-N 3.33Å |
| 91 | H | 67.1 | Low | 81.6 | Confident | 134 Ų | 134 | 64.4 Ų | 64.4 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -127 | 74.3 | 175.9 | -65.5 | -50 | 0 | 0 | 0 | 113.1 | E89 G93 K94 | E89-H91 PolarHBondContact O-N 2.9Å; H91-G93 PolarHBondContact O-N 3.27Å; H91-K94 HydrophobicContact CB-CG 4.13Å |
| 92 | P | 62.9 | Low | 81.7 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 71% | 0.714 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 135.2 | -177.8 | 24 | -32.6 | 0 | 0 | 0 | 112.5 | ||
| 93 | G | 62.8 | Low | 81.8 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | 3.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H91 | H91-G93 PolarHBondContact O-N 3.27Š|
| 94 | K | 67.2 | Low | 82.1 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 46% | 0.457 | 34% | 0.335 | S | S | . | . | trans | -82.7 | 144.9 | 174.6 | -74.7 | -78 | -175.2 | 168.6 | 0 | 111.6 | H91 E98 | H91-K94 HydrophobicContact CB-CG 4.13Å; K94-E98 WeakPolarHBondContact CD-OE2 3.48Å; K94-E98 WeakPolarHBondContact CE-OE2 3.47Å; K94-E98 IonicContact NZ-OE1 3.66Å; K94-E98 IonicContact NZ-OE2 2.73Å; K94-E98 PolarHBondContact NZ-OE2 3.4Å | ||
| 95 | P | 76.3 | Confident | 82.4 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -57.5 | 138.6 | 172.8 | -19.6 | 30.5 | 0 | 0 | 0 | 110 | M97 E98 | P95-M97 PolarHBondContact O-N 3.22Å; P95-E98 HydrophobicContact CB-CG 4.47Å; P95-E98 WeakPolarHBondContact CD-OE1 3.19Å; P95-E98 HydrophobicContact CG-CG 4.27Å; P95-E98 WeakPolarHBondContact O-CB 3.33Å; P95-E98 PolarHBondContact O-N 2.98Å | ||
| 96 | P | 77.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.7 | -28.2 | 179.2 | 20.8 | -32 | 0 | 0 | 0 | 112.6 | F73 E98 C99 L100 I149 | F73-P96 HydrophobicContact CB-CB 4.36Å; F73-P96 HydrophobicContact CD1-CB 4.01Å; F73-P96 HydrophobicContact CG-CB 4.35Å; P96-E98 VanDerWaalsContact C-N 3.33Å; P96-E98 PolarHBondContact O-N 2.91Å; P96-C99 PolarHBondContact O-N 3.38Å; P96-L100 WeakPolarHBondContact O-CB 3.29Å; P96-L100 PolarHBondContact O-N 2.95Å; P96-I149 HydrophobicContact CB-CD1 4.06Å |
| 97 | M | 85.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -28.7 | 174.9 | -61.2 | -59.2 | -70.9 | 0 | 0 | 113.9 | P95 L100 S101 I149 L155 | P95-M97 PolarHBondContact O-N 3.22Å; M97-L100 HydrophobicContact CE-CD2 4.4Å; M97-L100 HydrophobicContact SD-CD2 4.22Å; M97-S101 WeakPolarHBondContact O-CB 3.3Å; M97-S101 PolarHBondContact O-N 3.48Å; M97-I149 HydrophobicContact SD-CG2 4.32Å; M97-L155 HydrophobicContact CE-CB 3.54Å; M97-L155 HydrophobicContact CE-CD2 4.45Å |
| 98 | E | 87.6 | Confident | 83.3 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 175.5 | -74.5 | -169.2 | -144.5 | 0 | 0 | 110.8 | K94 P95 P96 S101 Y102 | K94-E98 WeakPolarHBondContact CD-OE2 3.48Å; K94-E98 WeakPolarHBondContact CE-OE2 3.47Å; K94-E98 IonicContact NZ-OE1 3.66Å; K94-E98 IonicContact NZ-OE2 2.73Å; K94-E98 PolarHBondContact NZ-OE2 3.4Å; P95-E98 HydrophobicContact CB-CG 4.47Å; P95-E98 WeakPolarHBondContact CD-OE1 3.19Å; P95-E98 HydrophobicContact CG-CG 4.27Å; P95-E98 WeakPolarHBondContact O-CB 3.33Å; P95-E98 PolarHBondContact O-N 2.98Å; P96-E98 VanDerWaalsContact C-N 3.33Å; P96-E98 PolarHBondContact O-N 2.91Å; E98-S101 PolarHBondContact O-N 3.42Å; E98-Y102 PolarHBondContact O-N 2.91Å; E98-Y102 VanDerWaalsContact O-N 3.1Å |
| 99 | C | 89.5 | Confident | 83.9 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | C88 P96 S101 Y102 L103 | C88-C99 WeakPolarHBondContact CA-SG 3.27Å; C88-C99 HydrophobicContact CB-CB 3.76Å; C88-C99 WeakPolarHBondContact CB-SG 3.28Å; C88-C99 WeakPolarHBondContact SG-CB 3.33Å; C88-C99 CovalentContact SG-SG 2.02Å; C88-C99 PolarHBondContact SG-SG 3.22Å; P96-C99 PolarHBondContact O-N 3.38Å; C99-S101 VanDerWaalsContact C-N 3.26Å; C99-S101 PolarHBondContact O-N 3.27Å; C99-Y102 WeakPolarHBondContact O-CB 3.25Å; C99-Y102 PolarHBondContact O-N 3.18Å; C99-Y102 VanDerWaalsContact O-N 3.08Å; C99-L103 WeakPolarHBondContact O-CG 3.37Å; C99-L103 PolarHBondContact O-N 3.05Å |
| 100 | L | 91.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.3 | -43.4 | 177 | -172.8 | 66.6 | 0 | 0 | 0 | 111.5 | P96 M97 Y102 L103 F104 I143 L147 I149 L155 | P96-L100 WeakPolarHBondContact O-CB 3.29Å; P96-L100 PolarHBondContact O-N 2.95Å; M97-L100 HydrophobicContact CE-CD2 4.4Å; M97-L100 HydrophobicContact SD-CD2 4.22Å; L100-Y102 PolarHBondContact O-N 2.66Å; L100-L103 PolarHBondContact O-N 2.92Å; L100-F104 HydrophobicContact CD1-CD1 4.3Å; L100-F104 HydrophobicContact CD1-CE1 3.48Å; L100-F104 VanDerWaalsContact CD1-CE1 3.48Å; L100-F104 HydrophobicContact CD1-CE2 4.09Å; L100-F104 HydrophobicContact CD1-CZ 3.36Å; L100-F104 HydrophobicContact CD2-CE2 4.14Å; L100-F104 HydrophobicContact CD2-CZ 4.07Å; L100-F104 HydrophobicContact CG-CD2 4.39Å; L100-F104 HydrophobicContact CG-CE1 4.04Å; L100-F104 HydrophobicContact CG-CE2 3.79Å; L100-F104 HydrophobicContact CG-CZ 3.61Å; L100-F104 WeakPolarHBondContact O-CD1 3.49Å; L100-F104 VanDerWaalsContact O-CG 3.27Å; L100-F104 WeakPolarHBondContact O-CG 3.39Å; L100-F104 PolarHBondContact O-N 3.41Å; L100-F104 VanDerWaalsContact O-N 3.07Å; L100-I143 HydrophobicContact CD1-CG2 3.72Å; L100-L147 HydrophobicContact CB-CD1 4.47Å; L100-L147 HydrophobicContact CD1-CD1 4.13Å; L100-I149 HydrophobicContact CB-CD1 4.17Å; L100-I149 HydrophobicContact CD1-CD1 4.36Å; L100-I149 HydrophobicContact CD2-CD1 3.89Å; L100-I149 HydrophobicContact CD2-CG2 4.24Å; L100-I149 HydrophobicContact CG-CD1 4.37Å; L100-L155 HydrophobicContact CB-CD2 4.08Å; L100-L155 HydrophobicContact CD2-CD2 3.86Å; L100-L155 HydrophobicContact CG-CD2 3.8Å |
| 101 | S | 93.2 | Very high | 85.8 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 113 | M97 E98 C99 F104 D105 | M97-S101 WeakPolarHBondContact O-CB 3.3Å; M97-S101 PolarHBondContact O-N 3.48Å; E98-S101 PolarHBondContact O-N 3.42Å; C99-S101 VanDerWaalsContact C-N 3.26Å; C99-S101 PolarHBondContact O-N 3.27Å; S101-F104 PolarHBondContact O-N 2.92Å; S101-D105 PolarHBondContact O-N 3.28Å |
| 102 | Y | 91.4 | Very high | 87.2 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 177.1 | 172.8 | -101 | 0 | 0 | 0 | 111.6 | I87 E98 C99 L100 F104 D105 | I87-Y102 HydrophobicContact CG2-CD1 4.49Å; I87-Y102 HydrophobicContact CG2-CE1 4.18Å; E98-Y102 PolarHBondContact O-N 2.91Å; E98-Y102 VanDerWaalsContact O-N 3.1Å; C99-Y102 WeakPolarHBondContact O-CB 3.25Å; C99-Y102 PolarHBondContact O-N 3.18Å; C99-Y102 VanDerWaalsContact O-N 3.08Å; L100-Y102 PolarHBondContact O-N 2.66Å; Y102-F104 VanDerWaalsContact C-N 3.27Å; Y102-F104 PolarHBondContact O-N 2.97Å; Y102-D105 WeakPolarHBondContact O-CB 3.37Å; Y102-D105 PolarHBondContact O-N 3.42Å; Y102-D105 VanDerWaalsContact O-N 3.16Å |
| 103 | L | 91.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 178.2 | -67.8 | 171.5 | 0 | 0 | 0 | 112.1 | V84 I87 C99 L100 D105 Y139 I143 L147 | V84-L103 HydrophobicContact CG1-CD1 3.73Å; I87-L103 HydrophobicContact CB-CD2 4.46Å; I87-L103 HydrophobicContact CD1-CD2 4.22Å; I87-L103 HydrophobicContact CG2-CD2 3.96Å; C99-L103 WeakPolarHBondContact O-CG 3.37Å; C99-L103 PolarHBondContact O-N 3.05Å; L100-L103 PolarHBondContact O-N 2.92Å; L103-D105 VanDerWaalsContact C-N 3.33Å; L103-Y139 PolarHBondContact O-OH 3.05Å; L103-Y139 VanDerWaalsContact O-OH 3.05Å; L103-I143 HydrophobicContact CB-CG2 4.13Å; L103-I143 HydrophobicContact CD1-CG2 3.57Å; L103-L147 HydrophobicContact CD1-CD1 4.12Å |
| 104 | F | 95.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.1 | -26.7 | 177.4 | -69.3 | -2.2 | 0 | 0 | 0 | 113.5 | L100 S101 Y102 Y107 L108 Y139 T140 I143 L155 V156 L159 | L100-F104 HydrophobicContact CD1-CD1 4.3Å; L100-F104 HydrophobicContact CD1-CE1 3.48Å; L100-F104 VanDerWaalsContact CD1-CE1 3.48Å; L100-F104 HydrophobicContact CD1-CE2 4.09Å; L100-F104 HydrophobicContact CD1-CZ 3.36Å; L100-F104 HydrophobicContact CD2-CE2 4.14Å; L100-F104 HydrophobicContact CD2-CZ 4.07Å; L100-F104 HydrophobicContact CG-CD2 4.39Å; L100-F104 HydrophobicContact CG-CE1 4.04Å; L100-F104 HydrophobicContact CG-CE2 3.79Å; L100-F104 HydrophobicContact CG-CZ 3.61Å; L100-F104 WeakPolarHBondContact O-CD1 3.49Å; L100-F104 VanDerWaalsContact O-CG 3.27Å; L100-F104 WeakPolarHBondContact O-CG 3.39Å; L100-F104 PolarHBondContact O-N 3.41Å; L100-F104 VanDerWaalsContact O-N 3.07Å; S101-F104 PolarHBondContact O-N 2.92Å; Y102-F104 VanDerWaalsContact C-N 3.27Å; Y102-F104 PolarHBondContact O-N 2.97Å; F104-Y107 PolarHBondContact O-N 3.38Å; F104-L108 WeakPolarHBondContact O-CB 2.93Å; F104-L108 PolarHBondContact O-N 2.82Å; F104-Y139 HydrophobicContact CD1-CE1 4.2Å; F104-T140 HydrophobicContact CD1-CG2 4.01Å; F104-T140 HydrophobicContact CD2-CG2 4.16Å; F104-T140 HydrophobicContact CE1-CG2 3.82Å; F104-T140 HydrophobicContact CE2-CG2 3.97Å; F104-T140 HydrophobicContact CG-CG2 4.18Å; F104-T140 HydrophobicContact CZ-CG2 3.78Å; F104-I143 HydrophobicContact CE1-CB 4.05Å; F104-I143 HydrophobicContact CE1-CG2 4.05Å; F104-L155 HydrophobicContact CD2-CD2 3.85Å; F104-L155 HydrophobicContact CD2-CG 4.24Å; F104-L155 HydrophobicContact CE2-CD2 3.95Å; F104-L155 HydrophobicContact CE2-CG 4.36Å; F104-V156 HydrophobicContact CE2-CG2 3.63Å; F104-V156 HydrophobicContact CZ-CG2 4.05Å; F104-L159 HydrophobicContact CB-CD2 4.4Å; F104-L159 HydrophobicContact CD2-CD2 3.8Å; F104-L159 HydrophobicContact CE2-CD2 4.44Å; F104-L159 HydrophobicContact CG-CD2 4.38Å |
| 105 | D | 93.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | -173.5 | -163.9 | 64.3 | 0 | 0 | 0 | 112.2 | S101 Y102 L103 Y107 L108 H109 | S101-D105 PolarHBondContact O-N 3.28Å; Y102-D105 WeakPolarHBondContact O-CB 3.37Å; Y102-D105 PolarHBondContact O-N 3.42Å; Y102-D105 VanDerWaalsContact O-N 3.16Å; L103-D105 VanDerWaalsContact C-N 3.33Å; D105-Y107 VanDerWaalsContact C-N 3.34Å; D105-Y107 PolarHBondContact O-N 3.28Å; D105-L108 WeakPolarHBondContact O-CB 3.47Å; D105-L108 PolarHBondContact O-N 2.62Å; D105-H109 PolarHBondContact O-N 3.31Å |
| 106 | D | 88.1 | Confident | 92.8 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 178.9 | -89.7 | 21.4 | 0 | 0 | 0 | 111.9 | H109 L110 | D106-H109 PolarHBondContact O-N 2.84Å; D106-L110 PolarHBondContact O-N 3.39Å |
| 107 | Y | 94.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.9 | -33.9 | -179.8 | -150.8 | -70.4 | 0 | 0 | 0 | 111.8 | F104 D105 H109 L110 F111 F136 Y139 | F104-Y107 PolarHBondContact O-N 3.38Å; D105-Y107 VanDerWaalsContact C-N 3.34Å; D105-Y107 PolarHBondContact O-N 3.28Å; Y107-H109 PolarHBondContact O-N 3.08Å; Y107-L110 HydrophobicContact CE1-CD2 4.39Å; Y107-L110 HydrophobicContact CE2-CD2 4.4Å; Y107-L110 WeakPolarHBondContact O-CB 3.29Å; Y107-L110 PolarHBondContact O-N 3.47Å; Y107-L110 VanDerWaalsContact O-N 3.1Å; Y107-F111 PolarHBondContact O-N 3.42Å; Y107-F136 HydrophobicContact CD1-CB 4.45Å; Y107-F136 AromaticContact CD1-CD2 3.47Å; Y107-F136 HydrophobicContact CD1-CD2 3.47Å; Y107-F136 VanDerWaalsContact CD1-CD2 3.47Å; Y107-F136 HydrophobicContact CD1-CE2 4.17Å; Y107-F136 HydrophobicContact CD1-CG 4.43Å; Y107-F136 HydrophobicContact CE1-CB 4.26Å; Y107-F136 HydrophobicContact CE1-CD2 4.11Å; Y107-F136 HydrophobicContact CG-CD2 4.28Å; Y107-Y139 VanDerWaalsContact CB-CE1 3.49Å; Y107-Y139 HydrophobicContact CD1-CD1 4.35Å; Y107-Y139 HydrophobicContact CD1-CG 4.4Å; Y107-Y139 AromaticContact CD2-CD1 3.76Å; Y107-Y139 HydrophobicContact CD2-CD1 3.76Å; Y107-Y139 AromaticContact CD2-CD2 3.45Å; Y107-Y139 HydrophobicContact CD2-CD2 3.45Å; Y107-Y139 VanDerWaalsContact CD2-CD2 3.45Å; Y107-Y139 AromaticContact CD2-CE1 4Å; Y107-Y139 HydrophobicContact CD2-CE1 4Å; Y107-Y139 AromaticContact CD2-CE2 3.7Å; Y107-Y139 HydrophobicContact CD2-CE2 3.7Å; Y107-Y139 AromaticContact CD2-CG 3.48Å; Y107-Y139 HydrophobicContact CD2-CG 3.48Å; Y107-Y139 VanDerWaalsContact CD2-CG 3.48Å; Y107-Y139 AromaticContact CD2-CZ 3.97Å; Y107-Y139 HydrophobicContact CE2-CD1 4.5Å; Y107-Y139 AromaticContact CE2-CD2 3.69Å; Y107-Y139 HydrophobicContact CE2-CD2 3.69Å; Y107-Y139 HydrophobicContact CE2-CE2 4.29Å; Y107-Y139 AromaticContact CE2-CG 3.81Å; Y107-Y139 HydrophobicContact CE2-CG 3.81Å; Y107-Y139 AromaticContact CG-CD1 3.65Å; Y107-Y139 HydrophobicContact CG-CD1 3.65Å; Y107-Y139 HydrophobicContact CG-CD2 4.22Å; Y107-Y139 AromaticContact CG-CE1 3.95Å; Y107-Y139 HydrophobicContact CG-CE1 3.95Å; Y107-Y139 HydrophobicContact CG-CE2 4.48Å; Y107-Y139 AromaticContact CG-CG 3.79Å; Y107-Y139 HydrophobicContact CG-CG 3.79Å |
| 108 | L | 96.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 173.2 | 178.2 | 65.1 | 0 | 0 | 0 | 110.8 | F104 D105 F111 N112 F136 L159 I163 | F104-L108 WeakPolarHBondContact O-CB 2.93Å; F104-L108 PolarHBondContact O-N 2.82Å; D105-L108 WeakPolarHBondContact O-CB 3.47Å; D105-L108 PolarHBondContact O-N 2.62Å; L108-F111 PolarHBondContact O-N 3.27Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.1Å; L108-N112 PolarHBondContact O-ND2 3.28Å; L108-F136 HydrophobicContact CB-CE2 4.16Å; L108-F136 HydrophobicContact CB-CZ 4.11Å; L108-F136 HydrophobicContact CD1-CE1 4.37Å; L108-F136 HydrophobicContact CD1-CZ 3.82Å; L108-L159 HydrophobicContact CD1-CD1 3.88Å; L108-L159 HydrophobicContact CD2-CD1 3.64Å; L108-L159 HydrophobicContact CG-CD1 4.22Å; L108-I163 HydrophobicContact CD1-CD1 3.98Å; L108-I163 HydrophobicContact CD1-CG1 4.2Å |
| 109 | H | 95.9 | Very high | 94.5 | Very high | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 173.9 | 177.7 | -101.5 | 0 | 0 | 0 | 112.1 | D105 D106 Y107 N112 N113 | D105-H109 PolarHBondContact O-N 3.31Å; D106-H109 PolarHBondContact O-N 2.84Å; Y107-H109 PolarHBondContact O-N 3.08Å; H109-N112 PolarHBondContact O-N 3.36Å; H109-N113 PolarHBondContact CE1-ND2 2.88Å; H109-N113 PolarHBondContact ND1-ND2 3.39Å; H109-N113 PolarHBondContact NE2-ND2 3.33Å; H109-N113 PolarHBondContact O-N 3.41Å; H109-N113 PolarHBondContact O-ND2 3.26Å |
| 110 | L | 95.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 173.9 | 177.8 | 63.2 | 0 | 0 | 0 | 111.8 | D106 Y107 N112 N113 Q114 | D106-L110 PolarHBondContact O-N 3.39Å; Y107-L110 HydrophobicContact CE1-CD2 4.39Å; Y107-L110 HydrophobicContact CE2-CD2 4.4Å; Y107-L110 WeakPolarHBondContact O-CB 3.29Å; Y107-L110 PolarHBondContact O-N 3.47Å; Y107-L110 VanDerWaalsContact O-N 3.1Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 3.26Å; L110-N113 PolarHBondContact O-N 3.42Å; L110-Q114 WeakPolarHBondContact O-CG 3.47Å; L110-Q114 PolarHBondContact O-N 3.44Å |
| 111 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 177 | 174.4 | -90.4 | 0 | 0 | 0 | 111.5 | Y107 L108 N113 Q114 M115 F132 F136 I163 Y167 | Y107-F111 PolarHBondContact O-N 3.42Å; L108-F111 PolarHBondContact O-N 3.27Å; F111-N113 VanDerWaalsContact C-N 3.32Å; F111-N113 PolarHBondContact O-N 2.93Å; F111-Q114 PolarHBondContact O-N 3.11Å; F111-M115 HydrophobicContact CD1-CG 4.26Å; F111-M115 HydrophobicContact CE1-CE 4.49Å; F111-M115 HydrophobicContact CE1-CG 3.72Å; F111-M115 HydrophobicContact CE2-CE 3.99Å; F111-M115 HydrophobicContact CE2-CG 4.17Å; F111-M115 HydrophobicContact CZ-CE 3.62Å; F111-M115 HydrophobicContact CZ-CG 3.69Å; F111-M115 PolarHBondContact O-N 3.46Å; F111-F132 HydrophobicContact CD2-CB 4.17Å; F111-F132 HydrophobicContact CE2-CB 4.16Å; F111-F136 HydrophobicContact CB-CD2 4.4Å; F111-F136 HydrophobicContact CB-CG 4.43Å; F111-F136 HydrophobicContact CD2-CB 3.84Å; F111-F136 HydrophobicContact CD2-CD1 4.48Å; F111-F136 HydrophobicContact CD2-CG 4.21Å; F111-F136 HydrophobicContact CE2-CB 4.45Å; F111-F136 HydrophobicContact CG-CB 4.45Å; F111-F136 HydrophobicContact CG-CG 4.38Å; F111-I163 HydrophobicContact CD1-CD1 4.16Å; F111-I163 HydrophobicContact CD1-CG1 4.38Å; F111-I163 HydrophobicContact CE1-CB 4.37Å; F111-I163 HydrophobicContact CE1-CD1 3.88Å; F111-I163 HydrophobicContact CE1-CG1 3.9Å; F111-I163 HydrophobicContact CE1-CG2 3.6Å; F111-I163 HydrophobicContact CZ-CD1 4.35Å; F111-I163 HydrophobicContact CZ-CG2 3.67Å; F111-Y167 HydrophobicContact CE1-CD2 4.25Å; F111-Y167 HydrophobicContact CE1-CE2 4.14Å |
| 112 | N | 97.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 178.7 | -72.7 | -24.4 | 0 | 0 | 0 | 111.7 | L108 H109 L110 M115 S116 Y167 | L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.1Å; L108-N112 PolarHBondContact O-ND2 3.28Å; H109-N112 PolarHBondContact O-N 3.36Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 3.26Å; N112-M115 PolarHBondContact O-N 2.94Å; N112-S116 VanDerWaalsContact O-CB 3.27Å; N112-S116 WeakPolarHBondContact O-CB 3.32Å; N112-S116 PolarHBondContact O-N 2.86Å; N112-S116 PolarHBondContact O-OG 3.42Å; N112-S116 VanDerWaalsContact O-OG 3.07Å; N112-Y167 WeakPolarHBondContact CA-OH 3.31Å; N112-Y167 WeakPolarHBondContact CB-OH 3.21Å; N112-Y167 PolarHBondContact O-OH 2.84Å; N112-Y167 WeakPolarHBondContact OD1-CE2 3.42Å; N112-Y167 PolarHBondContact OD1-OH 3.38Å |
| 113 | N | 97.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.1 | -73 | -38.6 | 0 | 0 | 0 | 112.3 | H109 L110 F111 S116 S117 | H109-N113 PolarHBondContact CE1-ND2 2.88Å; H109-N113 PolarHBondContact ND1-ND2 3.39Å; H109-N113 PolarHBondContact NE2-ND2 3.33Å; H109-N113 PolarHBondContact O-N 3.41Å; H109-N113 PolarHBondContact O-ND2 3.26Å; L110-N113 PolarHBondContact O-N 3.42Å; F111-N113 VanDerWaalsContact C-N 3.32Å; F111-N113 PolarHBondContact O-N 2.93Å; N113-S116 PolarHBondContact O-N 3.03Å; N113-S117 PolarHBondContact O-N 3.11Å; N113-S117 VanDerWaalsContact O-N 3.16Å |
| 114 | Q | 96.6 | Very high | 95 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 174.8 | -70.9 | 173.9 | -38.9 | 0 | 0 | 110.9 | L110 F111 S117 F132 | L110-Q114 WeakPolarHBondContact O-CG 3.47Å; L110-Q114 PolarHBondContact O-N 3.44Å; F111-Q114 PolarHBondContact O-N 3.11Å; Q114-S117 WeakPolarHBondContact O-CB 3.46Å; Q114-S117 PolarHBondContact O-N 3.11Å; Q114-S117 PolarHBondContact O-OG 3.31Å; Q114-F132 HydrophobicContact CB-CD1 3.96Å; Q114-F132 HydrophobicContact CB-CD2 3.86Å; Q114-F132 HydrophobicContact CB-CE1 4.08Å; Q114-F132 HydrophobicContact CB-CE2 3.98Å; Q114-F132 HydrophobicContact CB-CG 3.85Å; Q114-F132 HydrophobicContact CB-CZ 4.1Å; Q114-F132 VanDerWaalsContact CD-CD1 3.42Å; Q114-F132 HydrophobicContact CG-CD1 4.07Å; Q114-F132 HydrophobicContact CG-CE1 4.1Å; Q114-F132 HydrophobicContact CG-CG 4.45Å; Q114-F132 HydrophobicContact CG-CZ 4.47Å |
| 115 | M | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 178.2 | -77.5 | -56.8 | -156.7 | 0 | 0 | 113.7 | F111 N112 S117 L118 W123 V129 F132 Y167 F168 | F111-M115 HydrophobicContact CD1-CG 4.26Å; F111-M115 HydrophobicContact CE1-CE 4.49Å; F111-M115 HydrophobicContact CE1-CG 3.72Å; F111-M115 HydrophobicContact CE2-CE 3.99Å; F111-M115 HydrophobicContact CE2-CG 4.17Å; F111-M115 HydrophobicContact CZ-CE 3.62Å; F111-M115 HydrophobicContact CZ-CG 3.69Å; F111-M115 PolarHBondContact O-N 3.46Å; N112-M115 PolarHBondContact O-N 2.94Å; M115-S117 PolarHBondContact O-N 3.05Å; M115-L118 WeakPolarHBondContact O-CB 3.29Å; M115-L118 PolarHBondContact O-N 3.01Å; M115-L118 HydrophobicContact SD-CD1 3.99Å; M115-W123 PolarHBondContact O-NE1 2.94Å; M115-V129 HydrophobicContact CE-CB 3.53Å; M115-V129 HydrophobicContact CE-CG1 3.55Å; M115-V129 HydrophobicContact SD-CB 4.31Å; M115-V129 HydrophobicContact SD-CG1 3.8Å; M115-F132 HydrophobicContact SD-CD2 4.27Å; M115-Y167 HydrophobicContact CB-CD1 3.85Å; M115-Y167 HydrophobicContact CB-CD2 4.37Å; M115-Y167 HydrophobicContact CB-CE1 3.51Å; M115-Y167 HydrophobicContact CB-CE2 4.07Å; M115-Y167 HydrophobicContact CB-CG 4.26Å; M115-Y167 HydrophobicContact CG-CD1 4.5Å; M115-Y167 HydrophobicContact CG-CD2 4.43Å; M115-Y167 HydrophobicContact CG-CE1 4.49Å; M115-Y167 HydrophobicContact CG-CE2 4.42Å; M115-Y167 HydrophobicContact CG-CG 4.46Å; M115-F168 HydrophobicContact CE-CE1 4.47Å; M115-F168 HydrophobicContact CE-CE2 4.18Å; M115-F168 HydrophobicContact CE-CZ 3.58Å |
| 116 | S | 95.8 | Very high | 95 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 57% | 0.566 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.3 | -16.4 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 113.6 | N112 N113 L118 | N112-S116 VanDerWaalsContact O-CB 3.27Å; N112-S116 WeakPolarHBondContact O-CB 3.32Å; N112-S116 PolarHBondContact O-N 2.86Å; N112-S116 PolarHBondContact O-OG 3.42Å; N112-S116 VanDerWaalsContact O-OG 3.07Å; N113-S116 PolarHBondContact O-N 3.03Å; S116-L118 VanDerWaalsContact C-N 3.3Å |
| 117 | S | 96.4 | Very high | 95.3 | Very high | 92 Ų | 92 | 70 Ų | 70 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.8 | 173.2 | 79.8 | 0 | 0 | 0 | 0 | 113.5 | N113 Q114 M115 | N113-S117 PolarHBondContact O-N 3.11Å; N113-S117 VanDerWaalsContact O-N 3.16Å; Q114-S117 WeakPolarHBondContact O-CB 3.46Å; Q114-S117 PolarHBondContact O-N 3.11Å; Q114-S117 PolarHBondContact O-OG 3.31Å; M115-S117 PolarHBondContact O-N 3.05Å |
| 118 | L | 95.7 | Very high | 95.4 | Very high | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.183 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -86.8 | 156.5 | 177.5 | -59.5 | 179.1 | 0 | 0 | 0 | 111.3 | M115 S116 D122 V129 F132 | M115-L118 WeakPolarHBondContact O-CB 3.29Å; M115-L118 PolarHBondContact O-N 3.01Å; M115-L118 HydrophobicContact SD-CD1 3.99Å; S116-L118 VanDerWaalsContact C-N 3.3Å; L118-D122 HydrophobicContact CB-CB 4.31Å; L118-V129 HydrophobicContact CD1-CG1 3.84Å; L118-F132 HydrophobicContact CD1-CD2 4.47Å; L118-F132 HydrophobicContact CD1-CE2 4.11Å; L118-F132 HydrophobicContact CG-CE2 4.4Å |
| 119 | N | 94.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 71.3 Ų | 71.3 | 57% | 0.572 | 38% | 0.384 | S | S | * | . | trans | -72.2 | 151.8 | 167.5 | -58 | -67.6 | 0 | 0 | 0 | 110 | T121 D122 W123 | N119-T121 PolarHBondContact O-N 3.17Å; N119-T121 VanDerWaalsContact O-N 3.16Å; N119-D122 WeakPolarHBondContact CB-OD2 3.4Å; N119-D122 PolarHBondContact ND2-OD2 3.42Å; N119-D122 WeakPolarHBondContact O-CA 3.27Å; N119-D122 WeakPolarHBondContact O-CB 3.42Å; N119-D122 PolarHBondContact O-N 3.15Å; N119-W123 PolarHBondContact O-N 2.92Å | ||
| 120 | S | 91.6 | Very high | 95.4 | Very high | 79 Ų | 79 | 67.2 Ų | 67.2 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.2 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 114 | D122 | S120-D122 VanDerWaalsContact C-N 3.34Š|
| 121 | T | 91.4 | Very high | 95.5 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 63% | 0.632 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.8 | 171.7 | 37.4 | 0 | 0 | 0 | 0 | 113.3 | N119 W123 | N119-T121 PolarHBondContact O-N 3.17Å; N119-T121 VanDerWaalsContact O-N 3.16Å; T121-W123 VanDerWaalsContact C-N 3.32Å |
| 122 | D | 95.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -77.9 | -19.7 | -179.3 | -64.1 | -36.9 | 0 | 0 | 0 | 111.7 | L118 N119 S120 C124 V125 K128 | L118-D122 HydrophobicContact CB-CB 4.31Å; N119-D122 WeakPolarHBondContact CB-OD2 3.4Å; N119-D122 PolarHBondContact ND2-OD2 3.42Å; N119-D122 WeakPolarHBondContact O-CA 3.27Å; N119-D122 WeakPolarHBondContact O-CB 3.42Å; N119-D122 PolarHBondContact O-N 3.15Å; S120-D122 VanDerWaalsContact C-N 3.34Å; D122-C124 PolarHBondContact O-N 3.17Å; D122-V125 PolarHBondContact O-N 2.05Å; D122-V125 VanDerWaalsContact O-N 3.09Å; D122-K128 HydrophobicContact CB-CG 4.42Å |
| 123 | W | 95.7 | Very high | 95.4 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -58.8 | -30.7 | 174.9 | -62.6 | -23.8 | 0 | 0 | 0 | 112.7 | M115 N119 T121 V125 Y167 F168 | M115-W123 PolarHBondContact O-NE1 2.94Å; N119-W123 PolarHBondContact O-N 2.92Å; T121-W123 VanDerWaalsContact C-N 3.32Å; W123-V125 VanDerWaalsContact C-N 3.32Å; W123-Y167 HydrophobicContact CD2-CD1 4.05Å; W123-Y167 AromaticContact CE2-CD1 3.68Å; W123-Y167 HydrophobicContact CE3-CD1 4.41Å; W123-Y167 VanDerWaalsContact CE3-O 3.24Å; W123-Y167 HydrophobicContact CH2-CD1 4.14Å; W123-Y167 AromaticContact CZ2-CD1 3.75Å; W123-Y167 HydrophobicContact CZ2-CD1 3.75Å; W123-Y167 HydrophobicContact CZ2-CE1 4.08Å; W123-Y167 HydrophobicContact CZ3-CD1 4.45Å; W123-F168 WeakPolarHBondContact O-CD1 3.37Å; W123-F168 WeakPolarHBondContact O-CE1 3.42Å |
| 124 | C | 93.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 67.6 Ų | 67.6 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -86 | -2.6 | -179.7 | -53.2 | 0 | 0 | 0 | 0 | 113.8 | D122 C171 | D122-C124 PolarHBondContact O-N 3.17Å; C124-C171 WeakPolarHBondContact CA-SG 3.15Å; C124-C171 HydrophobicContact CB-CB 3.72Å; C124-C171 WeakPolarHBondContact CB-SG 3.4Å; C124-C171 WeakPolarHBondContact SG-CA 3.31Å; C124-C171 WeakPolarHBondContact SG-CB 3.46Å; C124-C171 CovalentContact SG-SG 2.05Å; C124-C171 PolarHBondContact SG-SG 3.41Å |
| 125 | V | 94.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 39% | 0.388 | 38% | 0.383 | S | S | . | . | trans | -96.2 | 103 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | D122 W123 D127 K128 | D122-V125 PolarHBondContact O-N 2.05Å; D122-V125 VanDerWaalsContact O-N 3.09Å; W123-V125 VanDerWaalsContact C-N 3.32Å; V125-D127 HydrophobicContact CG1-CB 4.46Å; V125-D127 PolarHBondContact O-N 3.23Å; V125-D127 VanDerWaalsContact O-N 3.14Å; V125-K128 HydrophobicContact CB-CB 4.32Å; V125-K128 HydrophobicContact CB-CG 3.84Å; V125-K128 HydrophobicContact CG1-CG 3.82Å; V125-K128 WeakPolarHBondContact O-CB 3.4Å; V125-K128 PolarHBondContact O-N 3.26Å | ||
| 126 | W | 93.4 | Very high | 95.5 | Very high | 148 Ų | 148 | 68.7 Ų | 68.7 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -51 | -42.2 | -175.3 | -179.1 | -112.9 | 0 | 0 | 0 | 113.2 | K128 V129 S130 Y133 | W126-K128 PolarHBondContact O-N 2.83Å; W126-K128 VanDerWaalsContact O-N 3.1Å; W126-V129 HydrophobicContact CE3-CG2 3.82Å; W126-V129 HydrophobicContact CZ3-CG2 4.29Å; W126-V129 WeakPolarHBondContact O-CG2 3.43Å; W126-V129 PolarHBondContact O-N 3.05Å; W126-S130 WeakPolarHBondContact O-CB 3.31Å; W126-S130 PolarHBondContact O-N 2.89Å; W126-S130 PolarHBondContact O-OG 2.86Å; W126-Y133 AromaticContact CH2-CD1 3.81Å; W126-Y133 HydrophobicContact CH2-CD1 3.81Å; W126-Y133 HydrophobicContact CH2-CE1 4.35Å; W126-Y133 HydrophobicContact CH2-CG 4.05Å; W126-Y133 HydrophobicContact CZ3-CD1 4.44Å; W126-Y133 HydrophobicContact CZ3-CG 4.29Å |
| 127 | D | 95.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 73% | 0.733 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.4 | -25.3 | 178.8 | -68.3 | -7.6 | 0 | 0 | 0 | 113.8 | V125 | V125-D127 HydrophobicContact CG1-CB 4.46Å; V125-D127 PolarHBondContact O-N 3.23Å; V125-D127 VanDerWaalsContact O-N 3.14Å |
| 128 | K | 96.1 | Very high | 95.6 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -81.5 | -27.4 | 178.3 | -63.7 | -65.5 | -173.2 | 176.3 | 0 | 113.2 | D122 V125 W126 | D122-K128 HydrophobicContact CB-CG 4.42Å; V125-K128 HydrophobicContact CB-CB 4.32Å; V125-K128 HydrophobicContact CB-CG 3.84Å; V125-K128 HydrophobicContact CG1-CG 3.82Å; V125-K128 WeakPolarHBondContact O-CB 3.4Å; V125-K128 PolarHBondContact O-N 3.26Å; W126-K128 PolarHBondContact O-N 2.83Å; W126-K128 VanDerWaalsContact O-N 3.1Å |
| 129 | V | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -110.2 | -20.1 | -171.4 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | M115 L118 W126 S131 F132 Y133 F168 | M115-V129 HydrophobicContact CE-CB 3.53Å; M115-V129 HydrophobicContact CE-CG1 3.55Å; M115-V129 HydrophobicContact SD-CB 4.31Å; M115-V129 HydrophobicContact SD-CG1 3.8Å; L118-V129 HydrophobicContact CD1-CG1 3.84Å; W126-V129 HydrophobicContact CE3-CG2 3.82Å; W126-V129 HydrophobicContact CZ3-CG2 4.29Å; W126-V129 WeakPolarHBondContact O-CG2 3.43Å; W126-V129 PolarHBondContact O-N 3.05Å; V129-S131 VanDerWaalsContact C-N 3.29Å; V129-S131 PolarHBondContact O-N 3.14Å; V129-F132 PolarHBondContact O-N 3.09Å; V129-Y133 PolarHBondContact O-N 3.3Å; V129-F168 HydrophobicContact CB-CE1 4.5Å; V129-F168 HydrophobicContact CB-CZ 4.4Å; V129-F168 HydrophobicContact CG1-CE1 4.39Å; V129-F168 HydrophobicContact CG2-CE1 4.09Å; V129-F168 HydrophobicContact CG2-CZ 4.29Å |
| 130 | S | 96.5 | Very high | 95.7 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.4 | -39.4 | -171.6 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | W126 S134 | W126-S130 WeakPolarHBondContact O-CB 3.31Å; W126-S130 PolarHBondContact O-N 2.89Å; W126-S130 PolarHBondContact O-OG 2.86Å; S130-S134 WeakPolarHBondContact O-CB 3.45Å; S130-S134 PolarHBondContact O-N 3.42Å |
| 131 | S | 97.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -54.9 | 176.8 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | V129 Y133 S134 D135 | V129-S131 VanDerWaalsContact C-N 3.29Å; V129-S131 PolarHBondContact O-N 3.14Å; S131-Y133 VanDerWaalsContact C-N 3.28Å; S131-Y133 PolarHBondContact O-N 3.05Å; S131-S134 PolarHBondContact O-N 3.4Å; S131-D135 WeakPolarHBondContact O-CB 3.36Å; S131-D135 PolarHBondContact O-N 2.94Å |
| 132 | F | 96.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 19% | 0.193 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | -178.4 | -51.3 | -36.5 | 0 | 0 | 0 | 111.9 | F111 Q114 M115 L118 V129 F136 | F111-F132 HydrophobicContact CD2-CB 4.17Å; F111-F132 HydrophobicContact CE2-CB 4.16Å; Q114-F132 HydrophobicContact CB-CD1 3.96Å; Q114-F132 HydrophobicContact CB-CD2 3.86Å; Q114-F132 HydrophobicContact CB-CE1 4.08Å; Q114-F132 HydrophobicContact CB-CE2 3.98Å; Q114-F132 HydrophobicContact CB-CG 3.85Å; Q114-F132 HydrophobicContact CB-CZ 4.1Å; Q114-F132 VanDerWaalsContact CD-CD1 3.42Å; Q114-F132 HydrophobicContact CG-CD1 4.07Å; Q114-F132 HydrophobicContact CG-CE1 4.1Å; Q114-F132 HydrophobicContact CG-CG 4.45Å; Q114-F132 HydrophobicContact CG-CZ 4.47Å; M115-F132 HydrophobicContact SD-CD2 4.27Å; L118-F132 HydrophobicContact CD1-CD2 4.47Å; L118-F132 HydrophobicContact CD1-CE2 4.11Å; L118-F132 HydrophobicContact CG-CE2 4.4Å; V129-F132 PolarHBondContact O-N 3.09Å; F132-F136 WeakPolarHBondContact O-CB 3.33Å; F132-F136 PolarHBondContact O-N 3.03Å |
| 133 | Y | 96.6 | Very high | 96 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 177.6 | -167.6 | -84.2 | 0 | 0 | 0 | 111.7 | W126 V129 S131 F136 S137 F160 | W126-Y133 AromaticContact CH2-CD1 3.81Å; W126-Y133 HydrophobicContact CH2-CD1 3.81Å; W126-Y133 HydrophobicContact CH2-CE1 4.35Å; W126-Y133 HydrophobicContact CH2-CG 4.05Å; W126-Y133 HydrophobicContact CZ3-CD1 4.44Å; W126-Y133 HydrophobicContact CZ3-CG 4.29Å; V129-Y133 PolarHBondContact O-N 3.3Å; S131-Y133 VanDerWaalsContact C-N 3.28Å; S131-Y133 PolarHBondContact O-N 3.05Å; Y133-F136 PolarHBondContact O-N 2.67Å; Y133-S137 WeakPolarHBondContact O-CB 3.13Å; Y133-S137 PolarHBondContact O-N 2.8Å; Y133-S137 PolarHBondContact O-OG 3.15Å; Y133-F160 HydrophobicContact CD1-CE1 4.47Å; Y133-F160 HydrophobicContact CD2-CE1 4.29Å; Y133-F160 HydrophobicContact CE1-CD1 4.35Å; Y133-F160 AromaticContact CE1-CE1 3.83Å; Y133-F160 HydrophobicContact CE1-CE1 3.83Å; Y133-F160 AromaticContact CE2-CD1 3.67Å; Y133-F160 HydrophobicContact CE2-CD1 3.67Å; Y133-F160 AromaticContact CE2-CE1 3.63Å; Y133-F160 HydrophobicContact CE2-CE1 3.63Å; Y133-F160 AromaticContact CZ-CD1 3.48Å; Y133-F160 VanDerWaalsContact CZ-CD1 3.48Å; Y133-F160 AromaticContact CZ-CE1 3.37Å; Y133-F160 WeakPolarHBondContact OH-CD1 3.39Å; Y133-F160 WeakPolarHBondContact OH-CE1 3.39Å |
| 134 | S | 97.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | S130 S131 S137 T138 | S130-S134 WeakPolarHBondContact O-CB 3.45Å; S130-S134 PolarHBondContact O-N 3.42Å; S131-S134 PolarHBondContact O-N 3.4Å; S134-S137 WeakPolarHBondContact CA-OG 3.47Å; S134-S137 PolarHBondContact O-N 3.06Å; S134-S137 PolarHBondContact O-OG 3Å; S134-T138 WeakPolarHBondContact O-CB 3.07Å; S134-T138 PolarHBondContact O-N 3.19Å; S134-T138 PolarHBondContact O-OG1 2.96Å |
| 135 | D | 97.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.9 | -69.4 | -24.2 | 0 | 0 | 0 | 110.2 | S131 Y139 | S131-D135 WeakPolarHBondContact O-CB 3.36Å; S131-D135 PolarHBondContact O-N 2.94Å; D135-Y139 WeakPolarHBondContact O-CB 3.38Å; D135-Y139 PolarHBondContact O-N 3.2Å |
| 136 | F | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 177.1 | -174.5 | -122.2 | 0 | 0 | 0 | 113.1 | Y107 L108 F111 F132 Y133 Y139 T140 L159 F160 I163 | Y107-F136 HydrophobicContact CD1-CB 4.45Å; Y107-F136 AromaticContact CD1-CD2 3.47Å; Y107-F136 HydrophobicContact CD1-CD2 3.47Å; Y107-F136 VanDerWaalsContact CD1-CD2 3.47Å; Y107-F136 HydrophobicContact CD1-CE2 4.17Å; Y107-F136 HydrophobicContact CD1-CG 4.43Å; Y107-F136 HydrophobicContact CE1-CB 4.26Å; Y107-F136 HydrophobicContact CE1-CD2 4.11Å; Y107-F136 HydrophobicContact CG-CD2 4.28Å; L108-F136 HydrophobicContact CB-CE2 4.16Å; L108-F136 HydrophobicContact CB-CZ 4.11Å; L108-F136 HydrophobicContact CD1-CE1 4.37Å; L108-F136 HydrophobicContact CD1-CZ 3.82Å; F111-F136 HydrophobicContact CB-CD2 4.4Å; F111-F136 HydrophobicContact CB-CG 4.43Å; F111-F136 HydrophobicContact CD2-CB 3.84Å; F111-F136 HydrophobicContact CD2-CD1 4.48Å; F111-F136 HydrophobicContact CD2-CG 4.21Å; F111-F136 HydrophobicContact CE2-CB 4.45Å; F111-F136 HydrophobicContact CG-CB 4.45Å; F111-F136 HydrophobicContact CG-CG 4.38Å; F132-F136 WeakPolarHBondContact O-CB 3.33Å; F132-F136 PolarHBondContact O-N 3.03Å; Y133-F136 PolarHBondContact O-N 2.67Å; F136-Y139 WeakPolarHBondContact O-CB 3.35Å; F136-Y139 PolarHBondContact O-N 2.86Å; F136-T140 HydrophobicContact CD2-CG2 4.44Å; F136-T140 HydrophobicContact CE1-CG2 4.41Å; F136-T140 HydrophobicContact CE2-CG2 4.23Å; F136-T140 HydrophobicContact CZ-CG2 4.25Å; F136-T140 WeakPolarHBondContact O-CG2 3.04Å; F136-T140 PolarHBondContact O-N 3.34Å; F136-L159 HydrophobicContact CE1-CD2 3.64Å; F136-L159 HydrophobicContact CE1-CG 3.88Å; F136-L159 HydrophobicContact CE2-CD2 4.44Å; F136-L159 HydrophobicContact CZ-CD1 4.18Å; F136-L159 HydrophobicContact CZ-CD2 3.37Å; F136-L159 HydrophobicContact CZ-CG 3.81Å; F136-F160 HydrophobicContact CD1-CE1 4.13Å; F136-F160 HydrophobicContact CD1-CE2 4.28Å; F136-F160 AromaticContact CD1-CZ 3.72Å; F136-F160 HydrophobicContact CD1-CZ 3.72Å; F136-F160 HydrophobicContact CE1-CE2 4.24Å; F136-F160 HydrophobicContact CE1-CZ 4.11Å; F136-I163 HydrophobicContact CD1-CD1 3.8Å; F136-I163 HydrophobicContact CE1-CD1 3.31Å; F136-I163 HydrophobicContact CZ-CD1 4.17Å |
| 137 | S | 97.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 44 Ų | 44 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 178 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | Y133 S134 Y139 T140 E141 | Y133-S137 WeakPolarHBondContact O-CB 3.13Å; Y133-S137 PolarHBondContact O-N 2.8Å; Y133-S137 PolarHBondContact O-OG 3.15Å; S134-S137 WeakPolarHBondContact CA-OG 3.47Å; S134-S137 PolarHBondContact O-N 3.06Å; S134-S137 PolarHBondContact O-OG 3Å; S137-Y139 VanDerWaalsContact C-N 3.3Å; S137-Y139 PolarHBondContact O-N 3.1Å; S137-T140 PolarHBondContact O-N 3.18Å; S137-T140 VanDerWaalsContact O-N 3.15Å; S137-T140 PolarHBondContact O-OG1 3.39Å; S137-E141 WeakPolarHBondContact O-CB 3.14Å; S137-E141 PolarHBondContact O-N 2.97Å |
| 138 | T | 97.3 | Very high | 95.3 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | S134 E141 N142 | S134-T138 WeakPolarHBondContact O-CB 3.07Å; S134-T138 PolarHBondContact O-N 3.19Å; S134-T138 PolarHBondContact O-OG1 2.96Å; T138-E141 PolarHBondContact O-N 3.44Å; T138-N142 WeakPolarHBondContact O-CB 3.46Å; T138-N142 PolarHBondContact O-N 3.16Å; T138-N142 PolarHBondContact O-ND2 2.92Å |
| 139 | Y | 96.4 | Very high | 95 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 174 | 177.9 | -97.8 | 0 | 0 | 0 | 111.6 | L103 F104 Y107 D135 F136 S137 E141 N142 I143 | L103-Y139 PolarHBondContact O-OH 3.05Å; L103-Y139 VanDerWaalsContact O-OH 3.05Å; F104-Y139 HydrophobicContact CD1-CE1 4.2Å; Y107-Y139 VanDerWaalsContact CB-CE1 3.49Å; Y107-Y139 HydrophobicContact CD1-CD1 4.35Å; Y107-Y139 HydrophobicContact CD1-CG 4.4Å; Y107-Y139 AromaticContact CD2-CD1 3.76Å; Y107-Y139 HydrophobicContact CD2-CD1 3.76Å; Y107-Y139 AromaticContact CD2-CD2 3.45Å; Y107-Y139 HydrophobicContact CD2-CD2 3.45Å; Y107-Y139 VanDerWaalsContact CD2-CD2 3.45Å; Y107-Y139 AromaticContact CD2-CE1 4Å; Y107-Y139 HydrophobicContact CD2-CE1 4Å; Y107-Y139 AromaticContact CD2-CE2 3.7Å; Y107-Y139 HydrophobicContact CD2-CE2 3.7Å; Y107-Y139 AromaticContact CD2-CG 3.48Å; Y107-Y139 HydrophobicContact CD2-CG 3.48Å; Y107-Y139 VanDerWaalsContact CD2-CG 3.48Å; Y107-Y139 AromaticContact CD2-CZ 3.97Å; Y107-Y139 HydrophobicContact CE2-CD1 4.5Å; Y107-Y139 AromaticContact CE2-CD2 3.69Å; Y107-Y139 HydrophobicContact CE2-CD2 3.69Å; Y107-Y139 HydrophobicContact CE2-CE2 4.29Å; Y107-Y139 AromaticContact CE2-CG 3.81Å; Y107-Y139 HydrophobicContact CE2-CG 3.81Å; Y107-Y139 AromaticContact CG-CD1 3.65Å; Y107-Y139 HydrophobicContact CG-CD1 3.65Å; Y107-Y139 HydrophobicContact CG-CD2 4.22Å; Y107-Y139 AromaticContact CG-CE1 3.95Å; Y107-Y139 HydrophobicContact CG-CE1 3.95Å; Y107-Y139 HydrophobicContact CG-CE2 4.48Å; Y107-Y139 AromaticContact CG-CG 3.79Å; Y107-Y139 HydrophobicContact CG-CG 3.79Å; D135-Y139 WeakPolarHBondContact O-CB 3.38Å; D135-Y139 PolarHBondContact O-N 3.2Å; F136-Y139 WeakPolarHBondContact O-CB 3.35Å; F136-Y139 PolarHBondContact O-N 2.86Å; S137-Y139 VanDerWaalsContact C-N 3.3Å; S137-Y139 PolarHBondContact O-N 3.1Å; Y139-E141 VanDerWaalsContact C-N 3.3Å; Y139-E141 PolarHBondContact O-N 3.04Å; Y139-N142 PolarHBondContact O-N 3.19Å; Y139-I143 HydrophobicContact CD1-CG1 4.35Å; Y139-I143 HydrophobicContact CD2-CG1 4.25Å; Y139-I143 HydrophobicContact CE1-CG1 3.94Å; Y139-I143 HydrophobicContact CE2-CD1 4.01Å; Y139-I143 HydrophobicContact CE2-CG1 3.84Å; Y139-I143 HydrophobicContact CG-CG1 4.49Å; Y139-I143 VanDerWaalsContact O-CG1 3.31Å; Y139-I143 WeakPolarHBondContact O-CG1 3.31Å; Y139-I143 PolarHBondContact O-N 3.14Å |
| 140 | T | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -180 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | F104 F136 S137 S144 W151 L159 | F104-T140 HydrophobicContact CD1-CG2 4.01Å; F104-T140 HydrophobicContact CD2-CG2 4.16Å; F104-T140 HydrophobicContact CE1-CG2 3.82Å; F104-T140 HydrophobicContact CE2-CG2 3.97Å; F104-T140 HydrophobicContact CG-CG2 4.18Å; F104-T140 HydrophobicContact CZ-CG2 3.78Å; F136-T140 HydrophobicContact CD2-CG2 4.44Å; F136-T140 HydrophobicContact CE1-CG2 4.41Å; F136-T140 HydrophobicContact CE2-CG2 4.23Å; F136-T140 HydrophobicContact CZ-CG2 4.25Å; F136-T140 WeakPolarHBondContact O-CG2 3.04Å; F136-T140 PolarHBondContact O-N 3.34Å; S137-T140 PolarHBondContact O-N 3.18Å; S137-T140 VanDerWaalsContact O-N 3.15Å; S137-T140 PolarHBondContact O-OG1 3.39Å; T140-S144 VanDerWaalsContact O-CB 3.32Å; T140-S144 WeakPolarHBondContact O-CB 3.41Å; T140-S144 PolarHBondContact O-N 3Å; T140-S144 VanDerWaalsContact O-N 3.14Å; T140-S144 PolarHBondContact O-OG 2.8Å; T140-W151 PolarHBondContact OG1-NE1 3.41Å; T140-L159 HydrophobicContact CG2-CD2 4.18Å |
| 141 | E | 96.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -54.6 | 174.7 | -175.6 | 176.1 | -169.6 | 0 | 0 | 110.5 | S137 T138 Y139 I143 S144 D145 W151 | S137-E141 WeakPolarHBondContact O-CB 3.14Å; S137-E141 PolarHBondContact O-N 2.97Å; T138-E141 PolarHBondContact O-N 3.44Å; Y139-E141 VanDerWaalsContact C-N 3.3Å; Y139-E141 PolarHBondContact O-N 3.04Å; E141-I143 VanDerWaalsContact C-N 3.34Å; E141-I143 PolarHBondContact O-N 3.4Å; E141-S144 WeakPolarHBondContact O-CA 3.32Å; E141-S144 WeakPolarHBondContact O-CB 3.48Å; E141-S144 PolarHBondContact O-N 2.86Å; E141-D145 PolarHBondContact O-N 3.49Å; E141-W151 HydrophobicContact CB-CD2 4.31Å; E141-W151 HydrophobicContact CB-CG 4.28Å; E141-W151 HydrophobicContact CG-CD2 4.44Å; E141-W151 HydrophobicContact CG-CG 4.42Å |
| 142 | N | 95.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -42.6 | -179 | -73.3 | -24.4 | 0 | 0 | 0 | 113.1 | Y80 T138 Y139 D145 C146 | Y80-N142 HydrophobicContact CE1-CB 4.44Å; T138-N142 WeakPolarHBondContact O-CB 3.46Å; T138-N142 PolarHBondContact O-N 3.16Å; T138-N142 PolarHBondContact O-ND2 2.92Å; Y139-N142 PolarHBondContact O-N 3.19Å; N142-D145 PolarHBondContact O-N 2.88Å; N142-C146 PolarHBondContact O-N 2.98Å; N142-C146 PolarHBondContact O-SG 2.65Å |
| 143 | I | 93.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -39 | 177.6 | -64 | -63.3 | 0 | 0 | 0 | 111 | Y80 V84 L100 L103 F104 Y139 E141 D145 C146 L147 | Y80-I143 HydrophobicContact CE1-CD1 4.32Å; Y80-I143 VanDerWaalsContact OH-CD1 3.27Å; Y80-I143 WeakPolarHBondContact OH-CD1 3.34Å; V84-I143 HydrophobicContact CB-CD1 4.37Å; V84-I143 HydrophobicContact CG1-CD1 3.79Å; V84-I143 HydrophobicContact CG1-CG2 4.2Å; V84-I143 HydrophobicContact CG2-CD1 3.59Å; L100-I143 HydrophobicContact CD1-CG2 3.72Å; L103-I143 HydrophobicContact CB-CG2 4.13Å; L103-I143 HydrophobicContact CD1-CG2 3.57Å; F104-I143 HydrophobicContact CE1-CB 4.05Å; F104-I143 HydrophobicContact CE1-CG2 4.05Å; Y139-I143 HydrophobicContact CD1-CG1 4.35Å; Y139-I143 HydrophobicContact CD2-CG1 4.25Å; Y139-I143 HydrophobicContact CE1-CG1 3.94Å; Y139-I143 HydrophobicContact CE2-CD1 4.01Å; Y139-I143 HydrophobicContact CE2-CG1 3.84Å; Y139-I143 HydrophobicContact CG-CG1 4.49Å; Y139-I143 VanDerWaalsContact O-CG1 3.31Å; Y139-I143 WeakPolarHBondContact O-CG1 3.31Å; Y139-I143 PolarHBondContact O-N 3.14Å; E141-I143 VanDerWaalsContact C-N 3.34Å; E141-I143 PolarHBondContact O-N 3.4Å; I143-D145 VanDerWaalsContact C-N 3.33Å; I143-C146 PolarHBondContact O-N 3.29Å; I143-L147 HydrophobicContact CG2-CD1 4.34Å; I143-L147 WeakPolarHBondContact O-CG 3.17Å; I143-L147 PolarHBondContact O-N 3.33Å; I143-L147 VanDerWaalsContact O-N 3.13Å |
| 144 | S | 93.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | T140 E141 L147 G148 I149 | T140-S144 VanDerWaalsContact O-CB 3.32Å; T140-S144 WeakPolarHBondContact O-CB 3.41Å; T140-S144 PolarHBondContact O-N 3Å; T140-S144 VanDerWaalsContact O-N 3.14Å; T140-S144 PolarHBondContact O-OG 2.8Å; E141-S144 WeakPolarHBondContact O-CA 3.32Å; E141-S144 WeakPolarHBondContact O-CB 3.48Å; E141-S144 PolarHBondContact O-N 2.86Å; S144-L147 CarbonylContact O-C 3.5Å; S144-L147 PolarHBondContact O-N 3.18Å; S144-G148 PolarHBondContact O-N 3.04Å; S144-I149 CarbonylContact C-O 3.45Å; S144-I149 WeakPolarHBondContact CB-O 3.21Å; S144-I149 PolarHBondContact O-N 3.32Å |
| 145 | D | 92.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | 175 | -78 | -9 | 0 | 0 | 0 | 112.3 | E141 N142 I143 L147 G148 | E141-D145 PolarHBondContact O-N 3.49Å; N142-D145 PolarHBondContact O-N 2.88Å; I143-D145 VanDerWaalsContact C-N 3.33Å; D145-L147 VanDerWaalsContact C-N 3.27Å; D145-L147 PolarHBondContact O-N 3.24Å; D145-G148 PolarHBondContact O-N 2.99Å |
| 146 | C | 91.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 176.5 | -72 | 0 | 0 | 0 | 0 | 112.8 | C75 L76 C81 V84 C85 N142 I143 G148 | C75-C146 WeakPolarHBondContact CA-O 3.35Å; L76-C146 PolarHBondContact N-O 3.4Å; C81-C146 WeakPolarHBondContact CA-SG 3.49Å; C81-C146 HydrophobicContact CB-CB 3.55Å; C81-C146 WeakPolarHBondContact CB-SG 3.44Å; C81-C146 WeakPolarHBondContact SG-CA 3.46Å; C81-C146 WeakPolarHBondContact SG-CB 3.36Å; C81-C146 CovalentContact SG-SG 2.05Å; C81-C146 PolarHBondContact SG-SG 3Å; V84-C146 HydrophobicContact CB-CB 4.37Å; V84-C146 HydrophobicContact CG1-CB 4.21Å; C85-C146 PolarHBondContact SG-O 3.26Å; C85-C146 VanDerWaalsContact SG-O 3.41Å; N142-C146 PolarHBondContact O-N 2.98Å; N142-C146 PolarHBondContact O-SG 2.65Å; I143-C146 PolarHBondContact O-N 3.29Å; C146-G148 VanDerWaalsContact C-N 3.34Å |
| 147 | L | 89.1 | Confident | 94.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.8 | 177.7 | -59.8 | 179.8 | 0 | 0 | 0 | 113.2 | F73 P74 V84 C88 L100 L103 I143 S144 D145 I149 | F73-L147 HydrophobicContact CD2-CD2 3.98Å; F73-L147 HydrophobicContact CE2-CD2 3.6Å; F73-L147 HydrophobicContact CZ-CD2 4.43Å; P74-L147 CarbonylContact O-C 3.12Å; P74-L147 VanDerWaalsContact O-O 3.05Å; V84-L147 HydrophobicContact CG1-CD2 4.33Å; V84-L147 HydrophobicContact CG1-CG 4.49Å; C88-L147 HydrophobicContact CB-CD2 4.39Å; L100-L147 HydrophobicContact CB-CD1 4.47Å; L100-L147 HydrophobicContact CD1-CD1 4.13Å; L103-L147 HydrophobicContact CD1-CD1 4.12Å; I143-L147 HydrophobicContact CG2-CD1 4.34Å; I143-L147 WeakPolarHBondContact O-CG 3.17Å; I143-L147 PolarHBondContact O-N 3.33Å; I143-L147 VanDerWaalsContact O-N 3.13Å; S144-L147 CarbonylContact O-C 3.5Å; S144-L147 PolarHBondContact O-N 3.18Å; D145-L147 VanDerWaalsContact C-N 3.27Å; D145-L147 PolarHBondContact O-N 3.24Å; L147-I149 HydrophobicContact CB-CD1 3.82Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 4.06Å; L147-I149 PolarHBondContact O-N 3.26Å |
| 148 | G | 89.1 | Confident | 94.5 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 29.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S144 D145 C146 | S144-G148 PolarHBondContact O-N 3.04Å; D145-G148 PolarHBondContact O-N 2.99Å; C146-G148 VanDerWaalsContact C-N 3.34Å |
| 149 | I | 91 | Very high | 94.4 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | trans | -92.2 | 128.5 | 176.1 | -59 | 170.9 | 0 | 0 | 0 | 107.7 | P96 M97 L100 S144 L147 W151 | P96-I149 HydrophobicContact CB-CD1 4.06Å; M97-I149 HydrophobicContact SD-CG2 4.32Å; L100-I149 HydrophobicContact CB-CD1 4.17Å; L100-I149 HydrophobicContact CD1-CD1 4.36Å; L100-I149 HydrophobicContact CD2-CD1 3.89Å; L100-I149 HydrophobicContact CD2-CG2 4.24Å; L100-I149 HydrophobicContact CG-CD1 4.37Å; S144-I149 CarbonylContact C-O 3.45Å; S144-I149 WeakPolarHBondContact CB-O 3.21Å; S144-I149 PolarHBondContact O-N 3.32Å; L147-I149 HydrophobicContact CB-CD1 3.82Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 4.06Å; L147-I149 PolarHBondContact O-N 3.26Å; I149-W151 PolarHBondContact O-N 3.13Å | ||
| 150 | P | 92.9 | Very high | 94.5 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 67% | 0.669 | 26% | 0.261 | S | S | * | . | trans | -58 | 136.8 | 176.2 | -25.7 | 34.7 | 0 | 0 | 0 | 112.6 | N153 | P150-N153 WeakPolarHBondContact O-CB 3.34Å; P150-N153 PolarHBondContact O-ND2 3.34Å; P150-N153 VanDerWaalsContact O-ND2 3.11Å | ||
| 151 | W | 95.7 | Very high | 94.5 | Very high | 94 Ų | 94 | 52.3 Ų | 52.3 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -111.4 | 134.6 | 170 | -167.6 | 102 | 0 | 0 | 0 | 109.3 | T140 E141 I149 V156 | T140-W151 PolarHBondContact OG1-NE1 3.41Å; E141-W151 HydrophobicContact CB-CD2 4.31Å; E141-W151 HydrophobicContact CB-CG 4.28Å; E141-W151 HydrophobicContact CG-CD2 4.44Å; E141-W151 HydrophobicContact CG-CG 4.42Å; I149-W151 PolarHBondContact O-N 3.13Å; W151-V156 HydrophobicContact CZ2-CG1 4.24Å |
| 152 | P | 96.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 60% | 0.597 | 30% | 0.296 | S | S | * | . | S | Bend | cis | -75.2 | 163.3 | -5.2 | 32.7 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 153 | N | 94.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | trans | -139.1 | 172.8 | 174.7 | 58.2 | 66.2 | 0 | 0 | 0 | 110.8 | P150 L155 V156 E157 | P150-N153 WeakPolarHBondContact O-CB 3.34Å; P150-N153 PolarHBondContact O-ND2 3.34Å; P150-N153 VanDerWaalsContact O-ND2 3.11Å; N153-L155 PolarHBondContact O-N 3.21Å; N153-L155 VanDerWaalsContact O-N 3.1Å; N153-L155 WeakPolarHBondContact OD1-CB 3.41Å; N153-L155 PolarHBondContact OD1-N 3.04Å; N153-L155 VanDerWaalsContact OD1-N 3.11Å; N153-V156 PolarHBondContact O-N 2.93Å; N153-V156 VanDerWaalsContact O-N 3.15Å; N153-V156 PolarHBondContact OD1-N 3.38Å; N153-V156 VanDerWaalsContact OD1-N 3.17Å; N153-E157 PolarHBondContact O-N 3.19Å | ||
| 154 | S | 95.5 | Very high | 94.8 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -23 | -174.5 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | K158 | S154-K158 WeakPolarHBondContact O-CD 3.5Å; S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.46Å; S154-K158 PolarHBondContact O-N 2.91Å |
| 155 | L | 95.3 | Very high | 94.9 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.1 | -49.8 | 176 | 172.7 | 69.3 | 0 | 0 | 0 | 109.9 | M97 L100 F104 N153 E157 K158 L159 | M97-L155 HydrophobicContact CE-CB 3.54Å; M97-L155 HydrophobicContact CE-CD2 4.45Å; L100-L155 HydrophobicContact CB-CD2 4.08Å; L100-L155 HydrophobicContact CD2-CD2 3.86Å; L100-L155 HydrophobicContact CG-CD2 3.8Å; F104-L155 HydrophobicContact CD2-CD2 3.85Å; F104-L155 HydrophobicContact CD2-CG 4.24Å; F104-L155 HydrophobicContact CE2-CD2 3.95Å; F104-L155 HydrophobicContact CE2-CG 4.36Å; N153-L155 PolarHBondContact O-N 3.21Å; N153-L155 VanDerWaalsContact O-N 3.1Å; N153-L155 WeakPolarHBondContact OD1-CB 3.41Å; N153-L155 PolarHBondContact OD1-N 3.04Å; N153-L155 VanDerWaalsContact OD1-N 3.11Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 3.39Å; L155-K158 PolarHBondContact O-N 2.93Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 2.94Å |
| 156 | V | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.7 | -45 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | F104 W151 N153 K158 L159 F160 | F104-V156 HydrophobicContact CE2-CG2 3.63Å; F104-V156 HydrophobicContact CZ-CG2 4.05Å; W151-V156 HydrophobicContact CZ2-CG1 4.24Å; N153-V156 PolarHBondContact O-N 2.93Å; N153-V156 VanDerWaalsContact O-N 3.15Å; N153-V156 PolarHBondContact OD1-N 3.38Å; N153-V156 VanDerWaalsContact OD1-N 3.17Å; V156-K158 PolarHBondContact O-N 3.05Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 2.05Å; V156-F160 HydrophobicContact CG1-CD2 3.58Å; V156-F160 HydrophobicContact CG1-CE2 3.73Å; V156-F160 WeakPolarHBondContact O-CD2 3.02Å; V156-F160 PolarHBondContact O-N 3.15Å |
| 157 | E | 97.1 | Very high | 95.3 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 61% | 0.607 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.7 | -50.9 | 177.8 | -174.3 | -174.4 | 164.9 | 0 | 0 | 112 | N153 L155 L159 F160 V161 | N153-E157 PolarHBondContact O-N 3.19Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 3.39Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.44Å; E157-F160 PolarHBondContact O-N 2.94Å; E157-V161 WeakPolarHBondContact O-CB 3.38Å; E157-V161 VanDerWaalsContact O-CG2 3.27Å; E157-V161 WeakPolarHBondContact O-CG2 3.47Å; E157-V161 PolarHBondContact O-N 3.24Å |
| 158 | K | 96.9 | Very high | 95.6 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 177.3 | -73.4 | 171.8 | -174.5 | 173 | 0 | 112.1 | S154 L155 V156 N162 | S154-K158 WeakPolarHBondContact O-CD 3.5Å; S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.46Å; S154-K158 PolarHBondContact O-N 2.91Å; L155-K158 PolarHBondContact O-N 2.93Å; V156-K158 PolarHBondContact O-N 3.05Å; K158-N162 WeakPolarHBondContact O-CB 3.26Å; K158-N162 PolarHBondContact O-N 2.86Å; K158-N162 PolarHBondContact O-ND2 3.24Å |
| 159 | L | 96.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 66.3 Ų | 66.3 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -51.8 | -180 | -173.1 | 67 | 0 | 0 | 0 | 111.2 | F104 L108 F136 T140 L155 V156 E157 N162 I163 | F104-L159 HydrophobicContact CB-CD2 4.4Å; F104-L159 HydrophobicContact CD2-CD2 3.8Å; F104-L159 HydrophobicContact CE2-CD2 4.44Å; F104-L159 HydrophobicContact CG-CD2 4.38Å; L108-L159 HydrophobicContact CD1-CD1 3.88Å; L108-L159 HydrophobicContact CD2-CD1 3.64Å; L108-L159 HydrophobicContact CG-CD1 4.22Å; F136-L159 HydrophobicContact CE1-CD2 3.64Å; F136-L159 HydrophobicContact CE1-CG 3.88Å; F136-L159 HydrophobicContact CE2-CD2 4.44Å; F136-L159 HydrophobicContact CZ-CD1 4.18Å; F136-L159 HydrophobicContact CZ-CD2 3.37Å; F136-L159 HydrophobicContact CZ-CG 3.81Å; T140-L159 HydrophobicContact CG2-CD2 4.18Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 2.94Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 2.05Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.44Å; L159-N162 PolarHBondContact O-N 3.47Å; L159-I163 HydrophobicContact CG-CD1 4.47Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.38Å |
| 160 | F | 97.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 178.9 | -82.8 | -85.3 | 0 | 0 | 0 | 112 | Y133 F136 V156 E157 N162 I163 H164 | Y133-F160 HydrophobicContact CD1-CE1 4.47Å; Y133-F160 HydrophobicContact CD2-CE1 4.29Å; Y133-F160 HydrophobicContact CE1-CD1 4.35Å; Y133-F160 AromaticContact CE1-CE1 3.83Å; Y133-F160 HydrophobicContact CE1-CE1 3.83Å; Y133-F160 AromaticContact CE2-CD1 3.67Å; Y133-F160 HydrophobicContact CE2-CD1 3.67Å; Y133-F160 AromaticContact CE2-CE1 3.63Å; Y133-F160 HydrophobicContact CE2-CE1 3.63Å; Y133-F160 AromaticContact CZ-CD1 3.48Å; Y133-F160 VanDerWaalsContact CZ-CD1 3.48Å; Y133-F160 AromaticContact CZ-CE1 3.37Å; Y133-F160 WeakPolarHBondContact OH-CD1 3.39Å; Y133-F160 WeakPolarHBondContact OH-CE1 3.39Å; F136-F160 HydrophobicContact CD1-CE1 4.13Å; F136-F160 HydrophobicContact CD1-CE2 4.28Å; F136-F160 AromaticContact CD1-CZ 3.72Å; F136-F160 HydrophobicContact CD1-CZ 3.72Å; F136-F160 HydrophobicContact CE1-CE2 4.24Å; F136-F160 HydrophobicContact CE1-CZ 4.11Å; V156-F160 HydrophobicContact CG1-CD2 3.58Å; V156-F160 HydrophobicContact CG1-CE2 3.73Å; V156-F160 WeakPolarHBondContact O-CD2 3.02Å; V156-F160 PolarHBondContact O-N 3.15Å; E157-F160 PolarHBondContact O-N 2.94Å; F160-N162 VanDerWaalsContact C-N 3.31Å; F160-N162 PolarHBondContact O-N 2.88Å; F160-I163 WeakPolarHBondContact O-CB 3.49Å; F160-I163 PolarHBondContact O-N 2.95Å; F160-H164 PolarHBondContact O-CD2 3.41Å; F160-H164 PolarHBondContact O-N 3.08Å |
| 161 | V | 97.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 53% | 0.527 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 173 | 168 | 0 | 0 | 0 | 0 | 111.6 | E157 H164 A165 | E157-V161 WeakPolarHBondContact O-CB 3.38Å; E157-V161 VanDerWaalsContact O-CG2 3.27Å; E157-V161 WeakPolarHBondContact O-CG2 3.47Å; E157-V161 PolarHBondContact O-N 3.24Å; V161-H164 PolarHBondContact O-N 3.35Å; V161-A165 WeakPolarHBondContact O-CB 3.36Å; V161-A165 PolarHBondContact O-N 2.73Å |
| 162 | N | 97.5 | Very high | 95.2 | Very high | 107 Ų | 107 | 66 Ų | 66 | 57% | 0.572 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 176.4 | -72.7 | -21.9 | 0 | 0 | 0 | 112.2 | K158 L159 F160 A165 A166 | K158-N162 WeakPolarHBondContact O-CB 3.26Å; K158-N162 PolarHBondContact O-N 2.86Å; K158-N162 PolarHBondContact O-ND2 3.24Å; L159-N162 PolarHBondContact O-N 3.47Å; F160-N162 VanDerWaalsContact C-N 3.31Å; F160-N162 PolarHBondContact O-N 2.88Å; N162-A165 PolarHBondContact O-N 3.49Å; N162-A166 WeakPolarHBondContact O-CB 3.09Å; N162-A166 PolarHBondContact O-N 3.32Å |
| 163 | I | 96.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.6 | -72.8 | 166.6 | 0 | 0 | 0 | 110.7 | L108 F111 F136 L159 F160 A165 A166 Y167 F168 | L108-I163 HydrophobicContact CD1-CD1 3.98Å; L108-I163 HydrophobicContact CD1-CG1 4.2Å; F111-I163 HydrophobicContact CD1-CD1 4.16Å; F111-I163 HydrophobicContact CD1-CG1 4.38Å; F111-I163 HydrophobicContact CE1-CB 4.37Å; F111-I163 HydrophobicContact CE1-CD1 3.88Å; F111-I163 HydrophobicContact CE1-CG1 3.9Å; F111-I163 HydrophobicContact CE1-CG2 3.6Å; F111-I163 HydrophobicContact CZ-CD1 4.35Å; F111-I163 HydrophobicContact CZ-CG2 3.67Å; F136-I163 HydrophobicContact CD1-CD1 3.8Å; F136-I163 HydrophobicContact CE1-CD1 3.31Å; F136-I163 HydrophobicContact CZ-CD1 4.17Å; L159-I163 HydrophobicContact CG-CD1 4.47Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.38Å; F160-I163 WeakPolarHBondContact O-CB 3.49Å; F160-I163 PolarHBondContact O-N 2.95Å; I163-A165 VanDerWaalsContact C-N 3.34Å; I163-A165 PolarHBondContact O-N 3.46Å; I163-A166 PolarHBondContact O-N 3.07Å; I163-Y167 HydrophobicContact CG2-CD2 4.35Å; I163-Y167 PolarHBondContact O-N 3.41Å; I163-F168 HydrophobicContact CG2-CD2 4.28Å; I163-F168 HydrophobicContact CG2-CE2 3.88Å |
| 164 | H | 96.2 | Very high | 92.9 | Very high | 85 Ų | 85 | 74.1 Ų | 74.1 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | I | π-helix | trans | -58.5 | -43.9 | 174.8 | -84.3 | -80.9 | 0 | 0 | 0 | 112.4 | F160 V161 A166 F168 K169 | F160-H164 PolarHBondContact O-CD2 3.41Å; F160-H164 PolarHBondContact O-N 3.08Å; V161-H164 PolarHBondContact O-N 3.35Å; H164-A166 VanDerWaalsContact C-N 3.33Å; H164-A166 PolarHBondContact O-N 3.1Å; H164-F168 AromaticContact ND1-CD2 4Å; H164-F168 CarbonylContact O-C 3.38Å; H164-F168 WeakPolarHBondContact O-CA 3.41Å; H164-F168 PolarHBondContact O-N 3.24Å; H164-K169 PolarHBondContact O-N 3.16Å |
| 165 | A | 96.1 | Very high | 91.5 | Very high | 61 Ų | 61 | 78 Ų | 78 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | I | π-helix | trans | -67 | -32.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V161 N162 I163 K169 | V161-A165 WeakPolarHBondContact O-CB 3.36Å; V161-A165 PolarHBondContact O-N 2.73Å; N162-A165 PolarHBondContact O-N 3.49Å; I163-A165 VanDerWaalsContact C-N 3.34Å; I163-A165 PolarHBondContact O-N 3.46Å; A165-K169 WeakPolarHBondContact O-CB 3.06Å |
| 166 | A | 96 | Very high | 90 | Very high | 65 Ų | 65 | 86.3 Ų | 86.3 | 54% | 0.537 | 46% | 0.461 | S | S | . | . | I | π-helix | trans | -79.7 | -48.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N162 I163 H164 | N162-A166 WeakPolarHBondContact O-CB 3.09Å; N162-A166 PolarHBondContact O-N 3.32Å; I163-A166 PolarHBondContact O-N 3.07Å; H164-A166 VanDerWaalsContact C-N 3.33Å; H164-A166 PolarHBondContact O-N 3.1Å |
| 167 | Y | 96.2 | Very high | 88.6 | Confident | 28 Ų | 28 | 90.6 Ų | 90.6 | 11% | 0.11 | 49% | 0.491 | C | S | . | . | I | π-helix | trans | -107.6 | -27.5 | -169.3 | -63 | -72.7 | 0 | 0 | 0 | 113.7 | F111 N112 M115 W123 I163 | F111-Y167 HydrophobicContact CE1-CD2 4.25Å; F111-Y167 HydrophobicContact CE1-CE2 4.14Å; N112-Y167 WeakPolarHBondContact CA-OH 3.31Å; N112-Y167 WeakPolarHBondContact CB-OH 3.21Å; N112-Y167 PolarHBondContact O-OH 2.84Å; N112-Y167 WeakPolarHBondContact OD1-CE2 3.42Å; N112-Y167 PolarHBondContact OD1-OH 3.38Å; M115-Y167 HydrophobicContact CB-CD1 3.85Å; M115-Y167 HydrophobicContact CB-CD2 4.37Å; M115-Y167 HydrophobicContact CB-CE1 3.51Å; M115-Y167 HydrophobicContact CB-CE2 4.07Å; M115-Y167 HydrophobicContact CB-CG 4.26Å; M115-Y167 HydrophobicContact CG-CD1 4.5Å; M115-Y167 HydrophobicContact CG-CD2 4.43Å; M115-Y167 HydrophobicContact CG-CE1 4.49Å; M115-Y167 HydrophobicContact CG-CE2 4.42Å; M115-Y167 HydrophobicContact CG-CG 4.46Å; W123-Y167 HydrophobicContact CD2-CD1 4.05Å; W123-Y167 AromaticContact CE2-CD1 3.68Å; W123-Y167 HydrophobicContact CE3-CD1 4.41Å; W123-Y167 VanDerWaalsContact CE3-O 3.24Å; W123-Y167 HydrophobicContact CH2-CD1 4.14Å; W123-Y167 AromaticContact CZ2-CD1 3.75Å; W123-Y167 HydrophobicContact CZ2-CD1 3.75Å; W123-Y167 HydrophobicContact CZ2-CE1 4.08Å; W123-Y167 HydrophobicContact CZ3-CD1 4.45Å; I163-Y167 HydrophobicContact CG2-CD2 4.35Å; I163-Y167 PolarHBondContact O-N 3.41Å |
| 168 | F | 95.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 91.5 Ų | 91.5 | 13% | 0.127 | 50% | 0.5 | C | S | . | . | I | π-helix | trans | -113.5 | 1.4 | -168 | -57.8 | -76 | 0 | 0 | 0 | 114.3 | M115 W123 V129 I163 H164 A170 C171 | M115-F168 HydrophobicContact CE-CE1 4.47Å; M115-F168 HydrophobicContact CE-CE2 4.18Å; M115-F168 HydrophobicContact CE-CZ 3.58Å; W123-F168 WeakPolarHBondContact O-CD1 3.37Å; W123-F168 WeakPolarHBondContact O-CE1 3.42Å; V129-F168 HydrophobicContact CB-CE1 4.5Å; V129-F168 HydrophobicContact CB-CZ 4.4Å; V129-F168 HydrophobicContact CG1-CE1 4.39Å; V129-F168 HydrophobicContact CG2-CE1 4.09Å; V129-F168 HydrophobicContact CG2-CZ 4.29Å; I163-F168 HydrophobicContact CG2-CD2 4.28Å; I163-F168 HydrophobicContact CG2-CE2 3.88Å; H164-F168 AromaticContact ND1-CD2 4Å; H164-F168 CarbonylContact O-C 3.38Å; H164-F168 WeakPolarHBondContact O-CA 3.41Å; H164-F168 PolarHBondContact O-N 3.24Å; F168-A170 PolarHBondContact O-N 3.22Å; F168-A170 VanDerWaalsContact O-N 3.11Å; F168-C171 WeakPolarHBondContact O-CB 3.34Å; F168-C171 PolarHBondContact O-N 3.25Å |
| 169 | K | 92.9 | Very high | 86.8 | Confident | 180 Ų | 180 | 88.1 Ų | 88.1 | 78% | 0.783 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.8 | -174.9 | -177.8 | 177.3 | -179.8 | -179.7 | 0 | 114.5 | H164 A165 | H164-K169 PolarHBondContact O-N 3.16Å; A165-K169 WeakPolarHBondContact O-CB 3.06Å |
| 170 | A | 90.8 | Very high | 86.3 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 1.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F168 | F168-A170 PolarHBondContact O-N 3.22Å; F168-A170 VanDerWaalsContact O-N 3.11Å |
| 171 | C | 91.6 | Very high | 85.8 | Confident | 27 Ų | 27 | 95.4 Ų | 95.4 | 18% | 0.182 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -77.2 | 142.4 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | C124 F168 T173 | C124-C171 WeakPolarHBondContact CA-SG 3.15Å; C124-C171 HydrophobicContact CB-CB 3.72Å; C124-C171 WeakPolarHBondContact CB-SG 3.4Å; C124-C171 WeakPolarHBondContact SG-CA 3.31Å; C124-C171 WeakPolarHBondContact SG-CB 3.46Å; C124-C171 CovalentContact SG-SG 2.05Å; C124-C171 PolarHBondContact SG-SG 3.41Å; F168-C171 WeakPolarHBondContact O-CB 3.34Å; F168-C171 PolarHBondContact O-N 3.25Å; C171-T173 PolarHBondContact O-N 2.88Å |
| 172 | P | 86.4 | Confident | 85.4 | Confident | 84 Ų | 84 | 93.7 Ų | 93.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | trans | -61.4 | 135 | 174.4 | 27 | -32.7 | 0 | 0 | 0 | 109 | E174 | P172-E174 VanDerWaalsContact C-N 3.34Å; P172-E174 PolarHBondContact O-N 3.43Å; P172-E174 VanDerWaalsContact O-N 3.08Å | ||
| 173 | T | 77.3 | Confident | 85.1 | Confident | 129 Ų | 129 | 93 Ų | 93 | 79% | 0.791 | 54% | 0.538 | S | S | * | . | trans | -77.9 | 93.9 | 169.3 | -28.6 | 0 | 0 | 0 | 0 | 106.2 | C171 E175 | C171-T173 PolarHBondContact O-N 2.88Å; T173-E175 PolarHBondContact O-N 3.36Å | ||
| 174 | E | 64.8 | Low | 85 | Confident | 156 Ų | 156 | 96 Ų | 96 | 73% | 0.729 | 56% | 0.556 | S | S | * | * | trans | -72.1 | 70.3 | 169.8 | -59.3 | -68.5 | 154 | 0 | 0 | 107.7 | P172 F176 | P172-E174 VanDerWaalsContact C-N 3.34Å; P172-E174 PolarHBondContact O-N 3.43Å; P172-E174 VanDerWaalsContact O-N 3.08Å; E174-F176 PolarHBondContact O-N 3.36Å | ||
| 175 | E | 67.3 | Low | 84.9 | Confident | 149 Ų | 149 | 98.4 Ų | 98.4 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | trans | -62.3 | 124.1 | 155.4 | -84.6 | -178.2 | 160 | 0 | 0 | 105.5 | T173 S177 | T173-E175 PolarHBondContact O-N 3.36Å; E175-S177 PolarHBondContact O-N 2.92Å; E175-S177 PolarHBondContact O-OG 2.83Å | ||
| 176 | F | 63.3 | Low | 84.7 | Confident | 212 Ų | 212 | 97.9 Ų | 97.9 | 93% | 0.93 | 56% | 0.562 | S | S | * | * | trans | -59.8 | 80 | 163 | -70.5 | -78 | 0 | 0 | 0 | 107.4 | E174 D178 | E174-F176 PolarHBondContact O-N 3.36Å; F176-D178 PolarHBondContact O-N 3.48Å | ||
| 177 | S | 66.6 | Low | 84.5 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 65% | 0.65 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132.6 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 105.9 | E175 | E175-S177 PolarHBondContact O-N 2.92Å; E175-S177 PolarHBondContact O-OG 2.83Å |
| 178 | D | 77.1 | Confident | 84.5 | Confident | 150 Ų | 150 | 102.9 Ų | 102.9 | 80% | 0.802 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 134.2 | 172.9 | -76.2 | -43.4 | 0 | 0 | 0 | 108.9 | F176 | F176-D178 PolarHBondContact O-N 3.48Š|
| 179 | P | 79.4 | Confident | 84.5 | Confident | 65 Ų | 65 | 104.2 Ų | 104.2 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -54 | 140.8 | 177.8 | 17.7 | -27.7 | 0 | 0 | 0 | 109.1 | V184 | P179-V184 HydrophobicContact CB-CG2 4.28Å; P179-V184 HydrophobicContact CG-CG2 3.77Å; P179-V184 WeakPolarHBondContact O-CG2 3.44Å |
| 180 | P | 85.9 | Confident | 84.7 | Confident | 79 Ų | 79 | 99 Ų | 99 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | trans | -45.5 | 139.9 | -176.9 | -30.8 | 31.1 | 0 | 0 | 0 | 112.2 | G182 I183 V184 | P180-G182 PolarHBondContact O-N 3.32Å; P180-I183 HydrophobicContact CB-CD1 4.48Å; P180-I183 HydrophobicContact CB-CG1 4.41Å; P180-I183 HydrophobicContact CG-CD1 4.19Å; P180-I183 PolarHBondContact O-N 3.19Å; P180-V184 PolarHBondContact O-N 3.01Å | ||
| 181 | P | 86.6 | Confident | 84.8 | Confident | 114 Ų | 114 | 97.2 Ų | 97.2 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -52 | -31.1 | -172.8 | -29.5 | 33.8 | 0 | 0 | 0 | 114.4 | F185 | P181-F185 VanDerWaalsContact O-CB 3.3Å; P181-F185 WeakPolarHBondContact O-CB 3.1Å; P181-F185 PolarHBondContact O-N 3.32Å |
| 182 | G | 90.2 | Very high | 85 | Confident | 52 Ų | 52 | 98 Ų | 98 | 54% | 0.536 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -35 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P180 A186 | P180-G182 PolarHBondContact O-N 3.32Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 3.05Å |
| 183 | I | 91.1 | Very high | 85.3 | Confident | 91 Ų | 91 | 97.3 Ų | 97.3 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.9 | -46.3 | 177 | -58.5 | -177.3 | 0 | 0 | 0 | 109.4 | P180 F185 A186 L187 | P180-I183 HydrophobicContact CB-CD1 4.48Å; P180-I183 HydrophobicContact CB-CG1 4.41Å; P180-I183 HydrophobicContact CG-CD1 4.19Å; P180-I183 PolarHBondContact O-N 3.19Å; I183-F185 VanDerWaalsContact C-N 3.29Å; I183-F185 PolarHBondContact O-N 2.02Å; I183-A186 PolarHBondContact O-N 2.87Å; I183-L187 HydrophobicContact CG2-CD1 4.15Å; I183-L187 HydrophobicContact CG2-CG 4.46Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 2.89Å |
| 184 | V | 93.1 | Very high | 86.2 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | P179 P180 A186 L187 V188 | P179-V184 HydrophobicContact CB-CG2 4.28Å; P179-V184 HydrophobicContact CG-CG2 3.77Å; P179-V184 WeakPolarHBondContact O-CG2 3.44Å; P180-V184 PolarHBondContact O-N 3.01Å; V184-A186 PolarHBondContact O-N 3.1Å; V184-L187 PolarHBondContact O-N 3.22Å; V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 3.02Å |
| 185 | F | 93.9 | Very high | 87.6 | Confident | 136 Ų | 136 | 93.7 Ų | 93.7 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 177.4 | -174.6 | -102.4 | 0 | 0 | 0 | 112.3 | P181 I183 L187 V188 I189 | P181-F185 VanDerWaalsContact O-CB 3.3Å; P181-F185 WeakPolarHBondContact O-CB 3.1Å; P181-F185 PolarHBondContact O-N 3.32Å; I183-F185 VanDerWaalsContact C-N 3.29Å; I183-F185 PolarHBondContact O-N 2.02Å; F185-L187 VanDerWaalsContact C-N 3.32Å; F185-L187 PolarHBondContact O-N 2.64Å; F185-V188 PolarHBondContact O-N 3.15Å; F185-I189 HydrophobicContact CD1-CG1 3.96Å; F185-I189 HydrophobicContact CD2-CG1 4.25Å; F185-I189 HydrophobicContact CE1-CD1 4.33Å; F185-I189 HydrophobicContact CE1-CG1 3.57Å; F185-I189 HydrophobicContact CE2-CD1 3.99Å; F185-I189 HydrophobicContact CE2-CG1 3.87Å; F185-I189 HydrophobicContact CG-CG1 4.3Å; F185-I189 HydrophobicContact CZ-CD1 3.78Å; F185-I189 HydrophobicContact CZ-CG1 3.52Å; F185-I189 WeakPolarHBondContact O-CG1 3.41Å; F185-I189 PolarHBondContact O-N 2.85Å |
| 186 | A | 92.6 | Very high | 88.8 | Confident | 50 Ų | 50 | 89 Ų | 89 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G182 I183 V184 V188 I189 T190 | G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 3.05Å; I183-A186 PolarHBondContact O-N 2.87Å; V184-A186 PolarHBondContact O-N 3.1Å; A186-V188 VanDerWaalsContact C-N 3.28Å; A186-V188 PolarHBondContact O-N 2.02Å; A186-I189 PolarHBondContact O-N 3.36Å; A186-T190 VanDerWaalsContact O-CB 3.29Å; A186-T190 WeakPolarHBondContact O-CB 3.45Å; A186-T190 PolarHBondContact O-N 3.12Å; A186-T190 PolarHBondContact O-OG1 2.84Å |
| 187 | L | 92.9 | Very high | 90.3 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.4 | -31.5 | 176.7 | -71.7 | 174 | 0 | 0 | 0 | 112.7 | I183 V184 F185 P191 | I183-L187 HydrophobicContact CG2-CD1 4.15Å; I183-L187 HydrophobicContact CG2-CG 4.46Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 2.89Å; V184-L187 PolarHBondContact O-N 3.22Å; F185-L187 VanDerWaalsContact C-N 3.32Å; F185-L187 PolarHBondContact O-N 2.64Å; L187-P191 WeakPolarHBondContact O-CD 3.33Å; L187-P191 WeakPolarHBondContact O-CG 3.01Å |
| 188 | V | 95.9 | Very high | 91.7 | Very high | 79 Ų | 79 | 83.7 Ų | 83.7 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.1 | -43.4 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | V184 F185 A186 P191 I192 | V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 3.02Å; F185-V188 PolarHBondContact O-N 3.15Å; A186-V188 VanDerWaalsContact C-N 3.28Å; A186-V188 PolarHBondContact O-N 2.02Å; V188-P191 VanDerWaalsContact O-CD 3.28Å; V188-P191 WeakPolarHBondContact O-CD 3.22Å; V188-P191 WeakPolarHBondContact O-CG 3.43Å; V188-I192 HydrophobicContact CG1-CD1 3.89Å; V188-I192 VanDerWaalsContact O-CD1 3.28Å; V188-I192 WeakPolarHBondContact O-CD1 3.45Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.5Å |
| 189 | I | 95.5 | Very high | 92.5 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 29% | 0.292 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | -178.3 | -65.5 | -59.8 | 0 | 0 | 0 | 112.2 | F185 A186 I192 C193 | F185-I189 HydrophobicContact CD1-CG1 3.96Å; F185-I189 HydrophobicContact CD2-CG1 4.25Å; F185-I189 HydrophobicContact CE1-CD1 4.33Å; F185-I189 HydrophobicContact CE1-CG1 3.57Å; F185-I189 HydrophobicContact CE2-CD1 3.99Å; F185-I189 HydrophobicContact CE2-CG1 3.87Å; F185-I189 HydrophobicContact CG-CG1 4.3Å; F185-I189 HydrophobicContact CZ-CD1 3.78Å; F185-I189 HydrophobicContact CZ-CG1 3.52Å; F185-I189 WeakPolarHBondContact O-CG1 3.41Å; F185-I189 PolarHBondContact O-N 2.85Å; A186-I189 PolarHBondContact O-N 3.36Å; I189-I192 HydrophobicContact CD1-CD1 4.37Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-C193 PolarHBondContact O-N 2.65Å; I189-C193 PolarHBondContact O-SG 2.81Å |
| 190 | T | 95.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 80.2 Ų | 80.2 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -53.4 | -57.1 | -179.8 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | A186 I192 C193 L194 | A186-T190 VanDerWaalsContact O-CB 3.29Å; A186-T190 WeakPolarHBondContact O-CB 3.45Å; A186-T190 PolarHBondContact O-N 3.12Å; A186-T190 PolarHBondContact O-OG1 2.84Å; T190-I192 VanDerWaalsContact C-N 3.32Å; T190-I192 PolarHBondContact O-N 3.43Å; T190-C193 PolarHBondContact O-N 3.11Å; T190-L194 HydrophobicContact CG2-CD1 3.58Å; T190-L194 HydrophobicContact CG2-CG 4.14Å; T190-L194 WeakPolarHBondContact O-CB 3.45Å; T190-L194 VanDerWaalsContact O-CG 3.25Å; T190-L194 WeakPolarHBondContact O-CG 3.35Å; T190-L194 PolarHBondContact O-N 2.99Å |
| 191 | P | 93.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 81 Ų | 81 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 178.1 | 24.3 | -33.4 | 0 | 0 | 0 | 112.8 | L187 V188 C193 L194 I195 | L187-P191 WeakPolarHBondContact O-CD 3.33Å; L187-P191 WeakPolarHBondContact O-CG 3.01Å; V188-P191 VanDerWaalsContact O-CD 3.28Å; V188-P191 WeakPolarHBondContact O-CD 3.22Å; V188-P191 WeakPolarHBondContact O-CG 3.43Å; P191-C193 VanDerWaalsContact C-N 3.28Å; P191-C193 PolarHBondContact O-N 2.84Å; P191-L194 PolarHBondContact O-N 3.29Å; P191-I195 HydrophobicContact CB-CD1 4.49Å; P191-I195 WeakPolarHBondContact O-CB 3.5Å; P191-I195 WeakPolarHBondContact O-CD1 3.46Å; P191-I195 WeakPolarHBondContact O-CG1 3.43Å; P191-I195 PolarHBondContact O-N 3.24Å |
| 192 | I | 96.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 79.7 Ų | 79.7 | 23% | 0.226 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.7 | -64.2 | 169.7 | 0 | 0 | 0 | 111.3 | L22 L26 V188 I189 T190 P196 | L22-I192 HydrophobicContact CD2-CG2 3.71Å; L26-I192 HydrophobicContact CD2-CD1 4.21Å; V188-I192 HydrophobicContact CG1-CD1 3.89Å; V188-I192 VanDerWaalsContact O-CD1 3.28Å; V188-I192 WeakPolarHBondContact O-CD1 3.45Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.5Å; I189-I192 HydrophobicContact CD1-CD1 4.37Å; I189-I192 PolarHBondContact O-N 3.41Å; T190-I192 VanDerWaalsContact C-N 3.32Å; T190-I192 PolarHBondContact O-N 3.43Å; I192-P196 WeakPolarHBondContact O-CD 3.43Å; I192-P196 WeakPolarHBondContact O-CG 3.39Å |
| 193 | C | 93.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 81.4 Ų | 81.4 | 47% | 0.473 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84 | -36 | 178.4 | -69 | 0 | 0 | 0 | 0 | 113.1 | I189 T190 P191 P196 V197 | I189-C193 PolarHBondContact O-N 2.65Å; I189-C193 PolarHBondContact O-SG 2.81Å; T190-C193 PolarHBondContact O-N 3.11Å; P191-C193 VanDerWaalsContact C-N 3.28Å; P191-C193 PolarHBondContact O-N 2.84Å; C193-P196 WeakPolarHBondContact O-CD 3.34Å; C193-V197 WeakPolarHBondContact O-CG2 3.44Å |
| 194 | L | 94.8 | Very high | 93.5 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | -176.8 | -71.7 | -177.3 | 0 | 0 | 0 | 112.7 | T190 P191 V197 M198 | T190-L194 HydrophobicContact CG2-CD1 3.58Å; T190-L194 HydrophobicContact CG2-CG 4.14Å; T190-L194 WeakPolarHBondContact O-CB 3.45Å; T190-L194 VanDerWaalsContact O-CG 3.25Å; T190-L194 WeakPolarHBondContact O-CG 3.35Å; T190-L194 PolarHBondContact O-N 2.99Å; P191-L194 PolarHBondContact O-N 3.29Å; L194-V197 PolarHBondContact O-N 3.03Å; L194-M198 WeakPolarHBondContact O-CB 3.48Å; L194-M198 VanDerWaalsContact O-CG 3.27Å; L194-M198 WeakPolarHBondContact O-CG 2.98Å; L194-M198 PolarHBondContact O-N 3.35Å |
| 195 | I | 95.6 | Very high | 93 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 57% | 0.569 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.2 | -51 | -178.6 | -67.2 | 162.1 | 0 | 0 | 0 | 111.7 | P191 V197 M198 V199 | P191-I195 HydrophobicContact CB-CD1 4.49Å; P191-I195 WeakPolarHBondContact O-CB 3.5Å; P191-I195 WeakPolarHBondContact O-CD1 3.46Å; P191-I195 WeakPolarHBondContact O-CG1 3.43Å; P191-I195 PolarHBondContact O-N 3.24Å; I195-V197 VanDerWaalsContact C-N 3.32Å; I195-V197 PolarHBondContact O-N 3.39Å; I195-M198 PolarHBondContact O-N 3.37Å; I195-V199 HydrophobicContact CG2-CG2 4.42Å; I195-V199 WeakPolarHBondContact O-CG2 3.27Å; I195-V199 PolarHBondContact O-N 3.24Å |
| 196 | P | 92.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 82.2 Ų | 82.2 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 177.1 | -23.8 | 33.7 | 0 | 0 | 0 | 113.7 | L22 I192 C193 S200 | L22-P196 HydrophobicContact CD1-CG 4.28Å; I192-P196 WeakPolarHBondContact O-CD 3.43Å; I192-P196 WeakPolarHBondContact O-CG 3.39Å; C193-P196 WeakPolarHBondContact O-CD 3.34Å; P196-S200 VanDerWaalsContact O-CB 3.27Å; P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.97Å; P196-S200 PolarHBondContact O-OG 3.36Å |
| 197 | V | 95.1 | Very high | 91.8 | Very high | 77 Ų | 77 | 87.1 Ų | 87.1 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | C193 L194 I195 V199 S200 L201 | C193-V197 WeakPolarHBondContact O-CG2 3.44Å; L194-V197 PolarHBondContact O-N 3.03Å; I195-V197 VanDerWaalsContact C-N 3.32Å; I195-V197 PolarHBondContact O-N 3.39Å; V197-V199 PolarHBondContact O-N 3Å; V197-S200 PolarHBondContact O-N 3.28Å; V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.49Å; V197-L201 PolarHBondContact O-N 3.03Å |
| 198 | M | 94.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 86.5 Ų | 86.5 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.5 | -45.9 | 178.9 | -68.7 | -60.6 | -73.8 | 0 | 0 | 111.7 | L194 I195 S200 L201 V202 | L194-M198 WeakPolarHBondContact O-CB 3.48Å; L194-M198 VanDerWaalsContact O-CG 3.27Å; L194-M198 WeakPolarHBondContact O-CG 2.98Å; L194-M198 PolarHBondContact O-N 3.35Å; I195-M198 PolarHBondContact O-N 3.37Å; M198-S200 VanDerWaalsContact C-N 3.34Å; M198-S200 PolarHBondContact O-N 3.47Å; M198-L201 PolarHBondContact O-N 3.07Å; M198-L201 HydrophobicContact SD-CD1 4.41Å; M198-V202 WeakPolarHBondContact O-CG2 3.19Å; M198-V202 PolarHBondContact O-N 3.46Å |
| 199 | V | 95.3 | Very high | 88.8 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I195 V197 L201 V202 V203 | I195-V199 HydrophobicContact CG2-CG2 4.42Å; I195-V199 WeakPolarHBondContact O-CG2 3.27Å; I195-V199 PolarHBondContact O-N 3.24Å; V197-V199 PolarHBondContact O-N 3Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.22Å; V199-V202 PolarHBondContact O-N 3.18Å; V199-V203 WeakPolarHBondContact O-CG2 3.43Å; V199-V203 PolarHBondContact O-N 3.37Å |
| 200 | S | 91.9 | Very high | 87 | Confident | 56 Ų | 56 | 89 Ų | 89 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.3 | -60 | 0 | 0 | 0 | 0 | 112 | P196 V197 M198 V203 I204 | P196-S200 VanDerWaalsContact O-CB 3.27Å; P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.97Å; P196-S200 PolarHBondContact O-OG 3.36Å; V197-S200 PolarHBondContact O-N 3.28Å; M198-S200 VanDerWaalsContact C-N 3.34Å; M198-S200 PolarHBondContact O-N 3.47Å; S200-V203 PolarHBondContact O-N 3.21Å; S200-I204 WeakPolarHBondContact O-CD1 3.43Å; S200-I204 VanDerWaalsContact O-CG1 3.25Å; S200-I204 WeakPolarHBondContact O-CG1 3.39Å; S200-I204 PolarHBondContact O-N 3.4Å |
| 201 | L | 91 | Very high | 85.2 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.5 | -72.4 | 174.1 | 0 | 0 | 0 | 111.8 | V197 M198 V199 I204 K205 | V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.49Å; V197-L201 PolarHBondContact O-N 3.03Å; M198-L201 PolarHBondContact O-N 3.07Å; M198-L201 HydrophobicContact SD-CD1 4.41Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.22Å; L201-I204 PolarHBondContact O-N 3.01Å; L201-K205 WeakPolarHBondContact O-CB 3.42Å; L201-K205 WeakPolarHBondContact O-CG 3.27Å; L201-K205 PolarHBondContact O-N 3.16Å |
| 202 | V | 92.6 | Very high | 83.2 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | M198 V199 I204 K205 T206 | M198-V202 WeakPolarHBondContact O-CG2 3.19Å; M198-V202 PolarHBondContact O-N 3.46Å; V199-V202 PolarHBondContact O-N 3.18Å; V202-I204 PolarHBondContact O-N 3.43Å; V202-K205 PolarHBondContact O-N 2.96Å; V202-T206 HydrophobicContact CG1-CG2 4.44Å; V202-T206 WeakPolarHBondContact O-CG2 3.44Å; V202-T206 PolarHBondContact O-N 2.99Å; V202-T206 PolarHBondContact O-OG1 3.34Å |
| 203 | V | 91.6 | Very high | 80.8 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -38.2 | -179.8 | 174 | 0 | 0 | 0 | 0 | 112.3 | V199 S200 T206 K207 | V199-V203 WeakPolarHBondContact O-CG2 3.43Å; V199-V203 PolarHBondContact O-N 3.37Å; S200-V203 PolarHBondContact O-N 3.21Å; V203-T206 PolarHBondContact O-OG1 3.19Å; V203-K207 WeakPolarHBondContact O-CB 3.48Å; V203-K207 PolarHBondContact O-N 3.35Å; V203-K207 VanDerWaalsContact O-N 3.13Å |
| 204 | I | 86 | Confident | 80.2 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 35% | 0.349 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.4 | -40.1 | 176 | -68 | 164.8 | 0 | 0 | 0 | 110.5 | F14 S200 L201 V202 N208 | F14-I204 HydrophobicContact CZ-CD1 4.33Å; S200-I204 WeakPolarHBondContact O-CD1 3.43Å; S200-I204 VanDerWaalsContact O-CG1 3.25Å; S200-I204 WeakPolarHBondContact O-CG1 3.39Å; S200-I204 PolarHBondContact O-N 3.4Å; L201-I204 PolarHBondContact O-N 3.01Å; V202-I204 PolarHBondContact O-N 3.43Å; I204-N208 WeakPolarHBondContact O-CB 3.44Å; I204-N208 PolarHBondContact O-N 3.3Å; I204-N208 VanDerWaalsContact O-N 3.11Å |
| 205 | K | 84.3 | Confident | 79.4 | Confident | 164 Ų | 164 | 100.3 Ų | 100.3 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.7 | -42.1 | 177.8 | -82.9 | -74.9 | -171.5 | 160.2 | 0 | 112.6 | L201 V202 N208 G209 | L201-K205 WeakPolarHBondContact O-CB 3.42Å; L201-K205 WeakPolarHBondContact O-CG 3.27Å; L201-K205 PolarHBondContact O-N 3.16Å; V202-K205 PolarHBondContact O-N 2.96Å; K205-N208 PolarHBondContact O-N 3.34Å; K205-G209 PolarHBondContact O-N 3.07Å |
| 206 | T | 84.7 | Confident | 78.5 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 49% | 0.485 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -45 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | V202 V203 N208 G209 | V202-T206 HydrophobicContact CG1-CG2 4.44Å; V202-T206 WeakPolarHBondContact O-CG2 3.44Å; V202-T206 PolarHBondContact O-N 2.99Å; V202-T206 PolarHBondContact O-OG1 3.34Å; V203-T206 PolarHBondContact O-OG1 3.19Å; T206-N208 VanDerWaalsContact C-N 3.3Å; T206-N208 PolarHBondContact O-N 3.39Å; T206-G209 PolarHBondContact O-N 3.24Å |
| 207 | K | 74.8 | Confident | 77.7 | Confident | 153 Ų | 153 | 102.6 Ų | 102.6 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.3 | -33.9 | 179.2 | -169.2 | 178.3 | 70.3 | 176.7 | 0 | 113.9 | V203 | V203-K207 WeakPolarHBondContact O-CB 3.48Å; V203-K207 PolarHBondContact O-N 3.35Å; V203-K207 VanDerWaalsContact O-N 3.13Å |
| 208 | N | 69.1 | Low | 76.6 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 57% | 0.572 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -95.5 | -9.5 | -177.5 | -64.5 | 7.1 | 0 | 0 | 0 | 113.1 | I204 K205 T206 | I204-N208 WeakPolarHBondContact O-CB 3.44Å; I204-N208 PolarHBondContact O-N 3.3Å; I204-N208 VanDerWaalsContact O-N 3.11Å; K205-N208 PolarHBondContact O-N 3.34Å; T206-N208 VanDerWaalsContact C-N 3.3Å; T206-N208 PolarHBondContact O-N 3.39Å |
| 209 | G | 58.1 | Low | 75.4 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -82.4 | -23.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K205 T206 G211 | K205-G209 PolarHBondContact O-N 3.07Å; T206-G209 PolarHBondContact O-N 3.24Å; G209-G211 PolarHBondContact O-N 3.44Å |
| 210 | D | 57.1 | Low | 74 | Confident | 146 Ų | 146 | 104.6 Ų | 104.6 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 1.8 | -179.5 | -61.3 | -19 | 0 | 0 | 0 | 113.4 | ||
| 211 | G | 57.1 | Low | 72.6 | Confident | 69 Ų | 69 | 108.3 Ų | 108.3 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 3.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G209 | G209-G211 PolarHBondContact O-N 3.44Š|
| 212 | T | 52.5 | Low | 71.1 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | trans | -125.3 | 76.3 | 174.2 | 82 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 213 | S | 45.7 | Very low | 69.2 | Low | 193 Ų | 193 | 111.5 Ų | 111.5 | 100% | 1.35 | 67% | 0.665 | S | S | * | * | trans | -144.9 | 0 | 156.9 | -73.5 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 213 of 213 residues in 305.9 ms
(Link to these results)