| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.4 | Very low | 53.1 | Low | 240 Ų | 240 | 121.9 Ų | 121.9 | 100% | 1.182 | 66% | 0.655 | S | S | * | * | 0 | 90.5 | 0 | -71.9 | -175.4 | 163.6 | 0 | 0 | 107.1 | |||||
| 2 | A | 28.2 | Very low | 55.4 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | trans | -90.2 | 101.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | S4 | A2-S4 PolarHBondContact O-N 3.43Š| ||
| 3 | E | 29.6 | Very low | 57.5 | Low | 187 Ų | 187 | 104 Ų | 104 | 87% | 0.874 | 56% | 0.559 | S | S | * | * | trans | -60.2 | 106.6 | 173 | -72.9 | 177.9 | 159.1 | 0 | 0 | 107.9 | ||||
| 4 | S | 39 | Very low | 59.4 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 63% | 0.629 | 55% | 0.547 | S | S | * | . | trans | -63.1 | 129.4 | 163.2 | 96.8 | 0 | 0 | 0 | 0 | 106.1 | A2 L6 | A2-S4 PolarHBondContact O-N 3.43Å; S4-L6 PolarHBondContact O-N 3.1Å | ||
| 5 | P | 44.1 | Very low | 61 | Low | 99 Ų | 99 | 94 Ų | 94 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | trans | -61.2 | 121 | -178.5 | 25.8 | -30.6 | 0 | 0 | 0 | 107.5 | L7 | P5-L7 VanDerWaalsContact C-N 3.26Å; P5-L7 PolarHBondContact O-N 3.34Å | ||
| 6 | L | 50.1 | Low | 62.6 | Low | 152 Ų | 152 | 88.2 Ų | 88.2 | 80% | 0.796 | 48% | 0.48 | S | S | * | . | trans | -58.9 | 94.9 | 169.8 | -84.1 | 150.7 | 0 | 0 | 0 | 107 | S4 F8 | S4-L6 PolarHBondContact O-N 3.1Å; L6-F8 PolarHBondContact O-N 3.03Å | ||
| 7 | L | 58.4 | Low | 63.9 | Low | 35 Ų | 35 | 85.4 Ų | 85.4 | 18% | 0.183 | 47% | 0.469 | C | S | . | . | trans | -60.9 | 120.4 | 176.5 | -90.4 | 135.5 | 0 | 0 | 0 | 108.9 | P5 D11 I12 V46 L76 | P5-L7 VanDerWaalsContact C-N 3.26Å; P5-L7 PolarHBondContact O-N 3.34Å; L7-D11 HydrophobicContact CD2-CB 3.92Å; L7-I12 HydrophobicContact CB-CD1 4.34Å; L7-I12 HydrophobicContact CB-CG1 4.23Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; L7-V46 HydrophobicContact CD1-CG1 3.81Å; L7-V46 HydrophobicContact CD2-CG1 4.06Å; L7-V46 HydrophobicContact CD2-CG2 4.03Å; L7-L76 WeakPolarHBondContact O-CD1 3.5Å | ||
| 8 | F | 70.7 | Confident | 64.9 | Low | 153 Ų | 153 | 87.3 Ų | 87.3 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | trans | -73.3 | 155.9 | 172.9 | -75.2 | -85.5 | 0 | 0 | 0 | 110.2 | L6 E10 D11 I12 | L6-F8 PolarHBondContact O-N 3.03Å; F8-E10 PolarHBondContact O-N 3.46Å; F8-D11 PolarHBondContact N-OD2 3.47Å; F8-D11 WeakPolarHBondContact O-CB 3.32Å; F8-D11 PolarHBondContact O-N 3.39Å; F8-D11 VanDerWaalsContact O-N 3.12Å; F8-I12 PolarHBondContact O-N 3.41Å | ||
| 9 | Q | 73.9 | Confident | 65.9 | Low | 53 Ų | 53 | 82.7 Ų | 82.7 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -55.9 | -38.6 | 179 | -91.7 | 179.5 | 0.6 | 0 | 0 | 112.8 | D11 I12 V13 Y73 L76 | Q9-D11 VanDerWaalsContact C-N 3.33Å; Q9-D11 PolarHBondContact O-N 2.9Å; Q9-I12 PolarHBondContact O-N 3.39Å; Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.38Å; Q9-V13 PolarHBondContact O-N 3.2Å; Q9-Y73 HydrophobicContact CB-CE2 4.27Å; Q9-Y73 HydrophobicContact CG-CD2 4.16Å; Q9-Y73 HydrophobicContact CG-CE2 4Å; Q9-L76 HydrophobicContact CG-CB 4.09Å; Q9-L76 PolarHBondContact NE2-O 3.11Å |
| 10 | E | 77.9 | Confident | 66.7 | Low | 147 Ų | 147 | 78.9 Ų | 78.9 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 178.3 | -72 | -167 | 158.6 | 0 | 0 | 112.4 | F8 I12 V13 S14 | F8-E10 PolarHBondContact O-N 3.46Å; E10-I12 VanDerWaalsContact C-N 3.31Å; E10-I12 PolarHBondContact O-N 2.94Å; E10-V13 PolarHBondContact O-N 2.67Å; E10-S14 VanDerWaalsContact O-CB 3.24Å; E10-S14 WeakPolarHBondContact O-CB 3.31Å; E10-S14 PolarHBondContact O-N 2.91Å |
| 11 | D | 79.5 | Confident | 67.4 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 43% | 0.433 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.4 | -62.6 | -37.8 | 0 | 0 | 0 | 111.1 | L7 F8 Q9 S14 A15 | L7-D11 HydrophobicContact CD2-CB 3.92Å; F8-D11 PolarHBondContact N-OD2 3.47Å; F8-D11 WeakPolarHBondContact O-CB 3.32Å; F8-D11 PolarHBondContact O-N 3.39Å; F8-D11 VanDerWaalsContact O-N 3.12Å; Q9-D11 VanDerWaalsContact C-N 3.33Å; Q9-D11 PolarHBondContact O-N 2.9Å; D11-S14 PolarHBondContact O-N 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 3.33Å |
| 12 | I | 81.3 | Confident | 69.5 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.2 | -61.8 | 172.9 | 0 | 0 | 0 | 110.8 | L7 F8 Q9 E10 S14 A15 L16 L69 K72 L76 | L7-I12 HydrophobicContact CB-CD1 4.34Å; L7-I12 HydrophobicContact CB-CG1 4.23Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; F8-I12 PolarHBondContact O-N 3.41Å; Q9-I12 PolarHBondContact O-N 3.39Å; E10-I12 VanDerWaalsContact C-N 3.31Å; E10-I12 PolarHBondContact O-N 2.94Å; I12-S14 VanDerWaalsContact C-N 3.33Å; I12-A15 PolarHBondContact O-N 3.11Å; I12-L16 HydrophobicContact CG2-CD1 4.24Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.21Å; I12-L69 HydrophobicContact CG2-CB 4.27Å; I12-L69 HydrophobicContact CG2-CD2 4.18Å; I12-L69 WeakPolarHBondContact CG2-O 3.36Å; I12-K72 HydrophobicContact CD1-CB 3.87Å; I12-L76 HydrophobicContact CD1-CD1 3.28Å |
| 13 | V | 82.8 | Confident | 71.4 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | Q9 E10 L16 S17 Y73 H87 I90 | Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.38Å; Q9-V13 PolarHBondContact O-N 3.2Å; E10-V13 PolarHBondContact O-N 2.67Å; V13-L16 PolarHBondContact O-N 3.47Å; V13-S17 WeakPolarHBondContact O-CB 3.5Å; V13-S17 PolarHBondContact O-N 3.27Å; V13-Y73 HydrophobicContact CG2-CD2 3.79Å; V13-Y73 HydrophobicContact CG2-CE2 3.51Å; V13-H87 HydrophobicContact CG2-CB 4.49Å; V13-I90 HydrophobicContact CG1-CB 4.31Å; V13-I90 HydrophobicContact CG1-CD1 3.25Å; V13-I90 HydrophobicContact CG1-CG1 4.35Å; V13-I90 HydrophobicContact CG1-CG2 4.22Å |
| 14 | S | 83.8 | Confident | 73.2 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.8 | -176 | 0 | 0 | 0 | 0 | 111.8 | E10 D11 I12 S17 R18 | E10-S14 VanDerWaalsContact O-CB 3.24Å; E10-S14 WeakPolarHBondContact O-CB 3.31Å; E10-S14 PolarHBondContact O-N 2.91Å; D11-S14 PolarHBondContact O-N 3.32Å; I12-S14 VanDerWaalsContact C-N 3.33Å; S14-S17 PolarHBondContact O-N 2.97Å; S14-R18 PolarHBondContact O-N 3.27Å |
| 15 | A | 83.8 | Confident | 74.7 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D11 I12 R18 L19 T42 V46 L69 | D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 3.33Å; I12-A15 PolarHBondContact O-N 3.11Å; A15-R18 PolarHBondContact O-N 3.02Å; A15-L19 PolarHBondContact O-N 3.11Å; A15-T42 HydrophobicContact CB-CG2 4.03Å; A15-V46 HydrophobicContact CB-CG2 4.08Å; A15-L69 HydrophobicContact CB-CD1 4.33Å; A15-L69 HydrophobicContact CB-CD2 4.24Å |
| 16 | L | 85.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.1 | -77.9 | 169.8 | 0 | 0 | 0 | 111.4 | I12 V13 R18 L19 I20 V66 L69 I70 I90 V94 | I12-L16 HydrophobicContact CG2-CD1 4.24Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.21Å; V13-L16 PolarHBondContact O-N 3.47Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.16Å; L16-L19 WeakPolarHBondContact O-CB 3.25Å; L16-L19 PolarHBondContact O-N 2.98Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG2 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å; L16-I20 VanDerWaalsContact O-N 3.15Å; L16-V66 HydrophobicContact CD2-CG1 4.4Å; L16-L69 HydrophobicContact CD2-CB 3.7Å; L16-L69 HydrophobicContact CD2-CD1 4.08Å; L16-L69 HydrophobicContact CG-CB 3.98Å; L16-L69 HydrophobicContact CG-CD1 4.36Å; L16-I70 HydrophobicContact CD1-CG1 4.13Å; L16-I70 HydrophobicContact CD2-CG1 4.22Å; L16-I90 HydrophobicContact CB-CG2 4.25Å; L16-V94 HydrophobicContact CB-CG2 4.17Å; L16-V94 HydrophobicContact CD2-CG1 4.47Å; L16-V94 HydrophobicContact CD2-CG2 4.02Å; L16-V94 HydrophobicContact CG-CG2 4.48Å |
| 17 | S | 85.2 | Confident | 76.8 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | V13 S14 L19 I20 N21 | V13-S17 WeakPolarHBondContact O-CB 3.5Å; V13-S17 PolarHBondContact O-N 3.27Å; S14-S17 PolarHBondContact O-N 2.97Å; S17-L19 PolarHBondContact O-N 2.79Å; S17-I20 PolarHBondContact O-N 3.07Å; S17-N21 WeakPolarHBondContact O-CB 3.32Å; S17-N21 PolarHBondContact O-N 2.6Å |
| 18 | R | 82.5 | Confident | 77.4 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.1 | -85.7 | -176.1 | 171.9 | 131.7 | -3.8 | 113.3 | S14 A15 L16 I20 R38 L45 | S14-R18 PolarHBondContact O-N 3.27Å; A15-R18 PolarHBondContact O-N 3.02Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.16Å; R18-I20 VanDerWaalsContact C-N 3.35Å; R18-R38 WeakPolarHBondContact O-CD 3.37Å; R18-R38 PolarHBondContact O-NH1 3.19Å; R18-L45 VanDerWaalsContact NH1-CD1 3.3Å |
| 19 | L | 83.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 178.1 | -91.5 | 160.8 | 0 | 0 | 0 | 113 | A15 L16 S17 T39 T42 F62 V66 L69 | A15-L19 PolarHBondContact O-N 3.11Å; L16-L19 WeakPolarHBondContact O-CB 3.25Å; L16-L19 PolarHBondContact O-N 2.98Å; S17-L19 PolarHBondContact O-N 2.79Å; L19-T39 HydrophobicContact CD2-CG2 4.21Å; L19-T42 HydrophobicContact CD1-CG2 3.82Å; L19-T42 HydrophobicContact CG-CG2 3.88Å; L19-T42 WeakPolarHBondContact CG-OG1 3.04Å; L19-F62 HydrophobicContact CB-CE2 4.27Å; L19-F62 HydrophobicContact CD2-CD2 3.86Å; L19-F62 HydrophobicContact CD2-CE2 3.7Å; L19-V66 HydrophobicContact CD1-CG2 4.49Å; L19-L69 HydrophobicContact CD1-CD1 3.35Å |
| 20 | I | 83.1 | Confident | 78.2 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -104.7 | -10.3 | -169.2 | 72 | -171.9 | 0 | 0 | 0 | 114.1 | L16 S17 R18 F22 I90 K93 V94 V97 | L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG2 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å; L16-I20 VanDerWaalsContact O-N 3.15Å; S17-I20 PolarHBondContact O-N 3.07Å; R18-I20 VanDerWaalsContact C-N 3.35Å; I20-F22 WeakPolarHBondContact O-CD2 3.43Å; I20-F22 WeakPolarHBondContact O-CE2 3.49Å; I20-F22 PolarHBondContact O-N 2.66Å; I20-F22 VanDerWaalsContact O-N 3.12Å; I20-I90 HydrophobicContact CD1-CG2 4.13Å; I20-K93 HydrophobicContact CD1-CB 3.97Å; I20-K93 HydrophobicContact CD1-CG 4.13Å; I20-V94 HydrophobicContact CD1-CB 4.33Å; I20-V94 HydrophobicContact CD1-CG2 3.43Å; I20-V94 VanDerWaalsContact CD1-CG2 3.43Å; I20-V94 HydrophobicContact CG2-CB 4.48Å; I20-V94 HydrophobicContact CG2-CG2 4Å; I20-V97 HydrophobicContact CB-CG2 4.17Å; I20-V97 HydrophobicContact CG2-CB 4.48Å; I20-V97 HydrophobicContact CG2-CG1 4.5Å |
| 21 | N | 79.9 | Confident | 78.4 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -84.8 | 93.1 | -173.9 | -166.2 | -2.4 | 0 | 0 | 0 | 111.6 | S17 R23 | S17-N21 WeakPolarHBondContact O-CB 3.32Å; S17-N21 PolarHBondContact O-N 2.6Å; N21-R23 PolarHBondContact OD1-N 3.01Å | ||
| 22 | F | 77 | Confident | 78.6 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | trans | -90.8 | 0.9 | -178.8 | -60.5 | -67.2 | 0 | 0 | 0 | 114.6 | I20 N24 V25 V34 L35 V97 S123 L124 I127 | I20-F22 WeakPolarHBondContact O-CD2 3.43Å; I20-F22 WeakPolarHBondContact O-CE2 3.49Å; I20-F22 PolarHBondContact O-N 2.66Å; I20-F22 VanDerWaalsContact O-N 3.12Å; F22-N24 PolarHBondContact O-N 2.98Å; F22-N24 VanDerWaalsContact O-N 3.12Å; F22-V25 HydrophobicContact CB-CG2 4.29Å; F22-V25 HydrophobicContact CD1-CG2 4.25Å; F22-V25 WeakPolarHBondContact O-CB 3.21Å; F22-V25 WeakPolarHBondContact O-CG2 3.37Å; F22-V25 PolarHBondContact O-N 2.74Å; F22-V25 VanDerWaalsContact O-N 3.09Å; F22-V34 HydrophobicContact CD1-CG1 4Å; F22-V34 HydrophobicContact CE1-CG1 3.99Å; F22-L35 HydrophobicContact CZ-CD2 4.43Å; F22-V97 HydrophobicContact CD2-CG2 4.3Å; F22-V97 HydrophobicContact CE2-CB 4.46Å; F22-V97 HydrophobicContact CE2-CG1 3.73Å; F22-V97 HydrophobicContact CE2-CG2 3.8Å; F22-V97 HydrophobicContact CZ-CG1 4.22Å; F22-S123 VanDerWaalsContact CB-O 3.26Å; F22-S123 WeakPolarHBondContact CB-O 3.16Å; F22-S123 WeakPolarHBondContact CD2-O 3.1Å; F22-L124 HydrophobicContact CD2-CD2 3.84Å; F22-L124 HydrophobicContact CE2-CD2 3.85Å; F22-L124 HydrophobicContact CG-CD2 4.31Å; F22-L124 HydrophobicContact CZ-CD2 4.32Å; F22-I127 HydrophobicContact CB-CD1 3.74Å; F22-I127 HydrophobicContact CD1-CD1 3.36Å; F22-I127 HydrophobicContact CD2-CD1 4.49Å; F22-I127 HydrophobicContact CE1-CD1 4.08Å; F22-I127 HydrophobicContact CG-CD1 3.61Å | ||
| 23 | R | 68.9 | Low | 78.6 | Confident | 214 Ų | 214 | 54.6 Ų | 54.6 | 81% | 0.808 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.6 | -176 | -85.3 | -174.4 | 174.7 | -177.2 | -1.3 | 114.3 | N21 | N21-R23 PolarHBondContact OD1-N 3.01Š|
| 24 | N | 67.7 | Low | 78.7 | Confident | 141 Ų | 141 | 54.1 Ų | 54.1 | 75% | 0.754 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 6.9 | -176.9 | -63.2 | -3.5 | 0 | 0 | 0 | 113.1 | F22 | F22-N24 PolarHBondContact O-N 2.98Å; F22-N24 VanDerWaalsContact O-N 3.12Å |
| 25 | V | 69.8 | Low | 78.7 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -78.6 | 130.1 | 178 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | F22 Q29 V34 I127 | F22-V25 HydrophobicContact CB-CG2 4.29Å; F22-V25 HydrophobicContact CD1-CG2 4.25Å; F22-V25 WeakPolarHBondContact O-CB 3.21Å; F22-V25 WeakPolarHBondContact O-CG2 3.37Å; F22-V25 PolarHBondContact O-N 2.74Å; F22-V25 VanDerWaalsContact O-N 3.09Å; V25-Q29 HydrophobicContact CG1-CB 4.04Å; V25-Q29 VanDerWaalsContact CG1-OE1 3.31Å; V25-V34 HydrophobicContact CG1-CG1 4.44Å; V25-V34 HydrophobicContact CG1-CG2 3.8Å; V25-V34 HydrophobicContact CG2-CG1 3.96Å; V25-I127 HydrophobicContact CB-CD1 4.46Å; V25-I127 HydrophobicContact CB-CG1 4.38Å; V25-I127 HydrophobicContact CG1-CD1 4.27Å; V25-I127 HydrophobicContact CG1-CG1 4Å; V25-I127 HydrophobicContact CG2-CD1 4.42Å |
| 26 | S | 67.8 | Low | 78.6 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 140.2 | -179.8 | 43.3 | 0 | 0 | 0 | 0 | 110.5 | G28 Q29 | S26-G28 PolarHBondContact O-N 3.4Å; S26-Q29 PolarHBondContact O-N 3.05Å |
| 27 | A | 69.8 | Low | 78.3 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | N126 | A27-N126 WeakPolarHBondContact CA-O 3.45Š|
| 28 | G | 70.5 | Confident | 78.1 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | S26 N126 Q128 | S26-G28 PolarHBondContact O-N 3.4Å; G28-N126 PolarHBondContact N-O 2.83Å; G28-Q128 PolarHBondContact O-OE1 3.28Å |
| 29 | Q | 78.4 | Confident | 77.8 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | trans | -65.8 | 140.5 | 169.6 | -73.5 | -167.4 | -46.2 | 0 | 0 | 111.4 | V25 S26 V34 Q128 | V25-Q29 HydrophobicContact CG1-CB 4.04Å; V25-Q29 VanDerWaalsContact CG1-OE1 3.31Å; S26-Q29 PolarHBondContact O-N 3.05Å; Q29-V34 HydrophobicContact CB-CG2 3.88Å; Q29-Q128 PolarHBondContact O-N 3.28Å | ||
| 30 | Q | 83.2 | Confident | 77.4 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 134 | 177.1 | -70.6 | -136.6 | -25.2 | 0 | 0 | 111.6 | D32 A33 V34 E130 | Q30-D32 VanDerWaalsContact C-N 3.32Å; Q30-D32 PolarHBondContact O-N 2.78Å; Q30-A33 PolarHBondContact O-N 3.02Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 3.19Å; Q30-E130 PolarHBondContact NE2-OE1 3.22Å |
| 31 | L | 83.6 | Confident | 77 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -51.9 | -47.4 | -176.7 | 179.1 | 67.1 | 0 | 0 | 0 | 113 | A33 V34 L35 I101 L105 L124 I127 Q128 | L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.18Å; L31-V34 PolarHBondContact O-N 3.37Å; L31-L35 HydrophobicContact CD1-CD1 4.24Å; L31-L35 HydrophobicContact CD1-CG 4.14Å; L31-L35 HydrophobicContact CD2-CD1 4.42Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.22Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 2.8Å; L31-I101 HydrophobicContact CD1-CD1 4.28Å; L31-I101 HydrophobicContact CD2-CG1 4.44Å; L31-L105 HydrophobicContact CD2-CD1 3.33Å; L31-L124 HydrophobicContact CD1-CD2 4.21Å; L31-I127 HydrophobicContact CB-CG2 3.81Å; L31-I127 HydrophobicContact CD1-CG2 3.92Å; L31-I127 HydrophobicContact CG-CG2 4.5Å; L31-Q128 PolarHBondContact N-O 3.26Å |
| 32 | D | 82.4 | Confident | 76.5 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | -173.6 | -65.8 | -39.3 | 0 | 0 | 0 | 112 | Q30 L35 V36 I58 R59 | Q30-D32 VanDerWaalsContact C-N 3.32Å; Q30-D32 PolarHBondContact O-N 2.78Å; D32-L35 PolarHBondContact O-N 3.07Å; D32-V36 VanDerWaalsContact O-CG2 3.32Å; D32-V36 WeakPolarHBondContact O-CG2 3.29Å; D32-V36 PolarHBondContact O-N 3.44Å; D32-V36 VanDerWaalsContact O-N 3.07Å; D32-I58 HydrophobicContact CB-CD1 4.03Å; D32-I58 HydrophobicContact CB-CG2 4.36Å; D32-R59 VanDerWaalsContact OD1-CG 3.25Å; D32-R59 WeakPolarHBondContact OD1-CG 3.43Å; D32-R59 IonicContact OD1-CZ 3.6Å; D32-R59 IonicContact OD1-NE 3.54Å; D32-R59 PolarHBondContact OD1-NE 3.23Å; D32-R59 IonicContact OD1-NH2 2.97Å; D32-R59 IonicContact OD2-CZ 3.53Å; D32-R59 IonicContact OD2-NE 2.7Å; D32-R59 IonicContact OD2-NH2 2.6Å; D32-R59 PolarHBondContact OD2-NH2 3.27Å |
| 33 | A | 82.7 | Confident | 76.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q30 L31 L35 V36 E37 | Q30-A33 PolarHBondContact O-N 3.02Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.18Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 3.48Å; A33-V36 PolarHBondContact O-N 2.79Å; A33-E37 PolarHBondContact O-N 2.97Å; A33-E37 VanDerWaalsContact O-N 3.11Å |
| 34 | V | 83.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | F22 V25 Q29 Q30 L31 E37 R38 I127 | F22-V34 HydrophobicContact CD1-CG1 4Å; F22-V34 HydrophobicContact CE1-CG1 3.99Å; V25-V34 HydrophobicContact CG1-CG1 4.44Å; V25-V34 HydrophobicContact CG1-CG2 3.8Å; V25-V34 HydrophobicContact CG2-CG1 3.96Å; Q29-V34 HydrophobicContact CB-CG2 3.88Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 3.19Å; L31-V34 PolarHBondContact O-N 3.37Å; V34-E37 PolarHBondContact O-N 2.61Å; V34-R38 HydrophobicContact CG1-CG 4.29Å; V34-R38 WeakPolarHBondContact O-CB 3.45Å; V34-R38 WeakPolarHBondContact O-CG 3.42Å; V34-R38 PolarHBondContact O-N 2.69Å; V34-I127 HydrophobicContact CG1-CD1 4.49Å |
| 35 | L | 83.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.2 | -71 | 177.6 | 0 | 0 | 0 | 111.9 | F22 L31 D32 A33 R38 T39 I58 R59 F62 I101 | F22-L35 HydrophobicContact CZ-CD2 4.43Å; L31-L35 HydrophobicContact CD1-CD1 4.24Å; L31-L35 HydrophobicContact CD1-CG 4.14Å; L31-L35 HydrophobicContact CD2-CD1 4.42Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.22Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 2.8Å; D32-L35 PolarHBondContact O-N 3.07Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 3.48Å; L35-R38 PolarHBondContact O-N 2.84Å; L35-T39 WeakPolarHBondContact O-CB 3.45Å; L35-T39 PolarHBondContact O-N 2.6Å; L35-T39 PolarHBondContact O-OG1 3.49Å; L35-I58 HydrophobicContact CB-CG2 3.81Å; L35-I58 HydrophobicContact CD1-CG2 4.45Å; L35-R59 HydrophobicContact CD1-CB 4.49Å; L35-R59 HydrophobicContact CD1-CG 3.85Å; L35-F62 HydrophobicContact CD2-CB 4.28Å; L35-F62 HydrophobicContact CD2-CD1 4.07Å; L35-F62 HydrophobicContact CD2-CD2 3.58Å; L35-F62 HydrophobicContact CD2-CE1 4.31Å; L35-F62 HydrophobicContact CD2-CE2 3.82Å; L35-F62 HydrophobicContact CD2-CG 3.71Å; L35-F62 HydrophobicContact CD2-CZ 4.18Å; L35-I101 HydrophobicContact CD1-CD1 4.39Å; L35-I101 HydrophobicContact CD1-CG2 4.44Å; L35-I101 HydrophobicContact CD2-CD1 3.96Å |
| 36 | V | 81.4 | Confident | 76.1 | Confident | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.418 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | D32 A33 R38 T39 A40 I58 | D32-V36 VanDerWaalsContact O-CG2 3.32Å; D32-V36 WeakPolarHBondContact O-CG2 3.29Å; D32-V36 PolarHBondContact O-N 3.44Å; D32-V36 VanDerWaalsContact O-N 3.07Å; A33-V36 PolarHBondContact O-N 2.79Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 2.89Å; V36-T39 WeakPolarHBondContact CA-OG1 3.48Å; V36-T39 PolarHBondContact O-N 3.01Å; V36-T39 PolarHBondContact O-OG1 3.12Å; V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 3.48Å; V36-I58 HydrophobicContact CG2-CB 4.49Å; V36-I58 HydrophobicContact CG2-CD1 3.78Å; V36-I58 HydrophobicContact CG2-CG1 3.92Å; V36-I58 HydrophobicContact CG2-CG2 3.74Å |
| 37 | E | 81.1 | Confident | 76 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.3 | -46 | 179.7 | -172.1 | -171.1 | 165.8 | 0 | 0 | 111.3 | A33 V34 A40 S41 | A33-E37 PolarHBondContact O-N 2.97Å; A33-E37 VanDerWaalsContact O-N 3.11Å; V34-E37 PolarHBondContact O-N 2.61Å; E37-A40 PolarHBondContact O-N 3.48Å; E37-S41 PolarHBondContact O-N 2.69Å |
| 38 | R | 79.3 | Confident | 75.7 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.3 | -39.2 | -179 | -69.2 | -73.6 | 173.8 | 153.9 | -3.2 | 112.8 | R18 V34 L35 V36 A40 S41 T42 | R18-R38 WeakPolarHBondContact O-CD 3.37Å; R18-R38 PolarHBondContact O-NH1 3.19Å; V34-R38 HydrophobicContact CG1-CG 4.29Å; V34-R38 WeakPolarHBondContact O-CB 3.45Å; V34-R38 WeakPolarHBondContact O-CG 3.42Å; V34-R38 PolarHBondContact O-N 2.69Å; L35-R38 PolarHBondContact O-N 2.84Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 2.89Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-S41 PolarHBondContact O-OG 2.64Å; R38-S41 VanDerWaalsContact O-OG 3.12Å; R38-T42 WeakPolarHBondContact O-CB 3.45Å; R38-T42 PolarHBondContact O-N 2.86Å; R38-T42 VanDerWaalsContact O-N 3.1Å; R38-T42 PolarHBondContact O-OG1 3.09Å |
| 39 | T | 76.2 | Confident | 75.1 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.6 | 32.9 | 0 | 0 | 0 | 0 | 110.4 | L19 L35 V36 T42 L43 F50 F62 | L19-T39 HydrophobicContact CD2-CG2 4.21Å; L35-T39 WeakPolarHBondContact O-CB 3.45Å; L35-T39 PolarHBondContact O-N 2.6Å; L35-T39 PolarHBondContact O-OG1 3.49Å; V36-T39 WeakPolarHBondContact CA-OG1 3.48Å; V36-T39 PolarHBondContact O-N 3.01Å; V36-T39 PolarHBondContact O-OG1 3.12Å; T39-T42 PolarHBondContact O-N 3.09Å; T39-L43 WeakPolarHBondContact O-CB 3.3Å; T39-L43 PolarHBondContact O-N 3.35Å; T39-F50 HydrophobicContact CG2-CE1 3.74Å; T39-F50 HydrophobicContact CG2-CZ 4.05Å; T39-F62 HydrophobicContact CG2-CB 4.21Å; T39-F62 HydrophobicContact CG2-CD2 4.16Å |
| 40 | A | 75.8 | Confident | 74.2 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V36 E37 R38 T42 L43 E44 | V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 3.48Å; E37-A40 PolarHBondContact O-N 3.48Å; R38-A40 VanDerWaalsContact C-N 3.34Å; A40-T42 PolarHBondContact O-N 3.49Å; A40-L43 VanDerWaalsContact O-CB 3.31Å; A40-L43 WeakPolarHBondContact O-CB 2.99Å; A40-L43 PolarHBondContact O-N 3.02Å; A40-L43 VanDerWaalsContact O-N 3.11Å; A40-E44 PolarHBondContact O-N 3.08Å |
| 41 | S | 73.9 | Confident | 73 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -31.9 | -179.9 | 78.7 | 0 | 0 | 0 | 0 | 112.9 | E37 R38 | E37-S41 PolarHBondContact O-N 2.69Å; R38-S41 PolarHBondContact O-OG 2.64Å; R38-S41 VanDerWaalsContact O-OG 3.12Å |
| 42 | T | 69.7 | Low | 71.6 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -83.6 | -25 | -179.3 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | A15 L19 R38 T39 A40 E44 L45 V46 | A15-T42 HydrophobicContact CB-CG2 4.03Å; L19-T42 HydrophobicContact CD1-CG2 3.82Å; L19-T42 HydrophobicContact CG-CG2 3.88Å; L19-T42 WeakPolarHBondContact CG-OG1 3.04Å; R38-T42 WeakPolarHBondContact O-CB 3.45Å; R38-T42 PolarHBondContact O-N 2.86Å; R38-T42 VanDerWaalsContact O-N 3.1Å; R38-T42 PolarHBondContact O-OG1 3.09Å; T39-T42 PolarHBondContact O-N 3.09Å; A40-T42 PolarHBondContact O-N 3.49Å; T42-E44 VanDerWaalsContact C-N 3.31Å; T42-L45 PolarHBondContact O-N 3.2Å; T42-V46 PolarHBondContact O-N 3.1Å |
| 43 | L | 71 | Confident | 70.4 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 174.4 | -145.7 | 136.2 | 0 | 0 | 0 | 111.5 | T39 A40 L45 V46 P47 F50 | T39-L43 WeakPolarHBondContact O-CB 3.3Å; T39-L43 PolarHBondContact O-N 3.35Å; A40-L43 VanDerWaalsContact O-CB 3.31Å; A40-L43 WeakPolarHBondContact O-CB 2.99Å; A40-L43 PolarHBondContact O-N 3.02Å; A40-L43 VanDerWaalsContact O-N 3.11Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.65Å; L43-V46 CarbonylContact O-C 3.58Å; L43-P47 WeakPolarHBondContact O-CA 3.45Å; L43-F50 HydrophobicContact CB-CD2 4.01Å; L43-F50 HydrophobicContact CB-CE2 4.12Å; L43-F50 HydrophobicContact CB-CG 4.49Å; L43-F50 HydrophobicContact CD1-CB 3.51Å; L43-F50 HydrophobicContact CD1-CD1 3.62Å; L43-F50 HydrophobicContact CD1-CD2 3.73Å; L43-F50 HydrophobicContact CD1-CE1 4.17Å; L43-F50 HydrophobicContact CD1-CE2 4.3Å; L43-F50 HydrophobicContact CD1-CG 3.34Å; L43-F50 HydrophobicContact CD1-CZ 4.48Å; L43-F50 HydrophobicContact CG-CB 3.85Å; L43-F50 HydrophobicContact CG-CD1 4.43Å; L43-F50 HydrophobicContact CG-CD2 3.61Å; L43-F50 HydrophobicContact CG-CE2 4.22Å; L43-F50 HydrophobicContact CG-CG 3.73Å |
| 44 | E | 68.3 | Low | 68.6 | Low | 171 Ų | 171 | 55.8 Ų | 55.8 | 80% | 0.799 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 174.2 | -69.8 | -173.9 | 164.7 | 0 | 0 | 112.9 | A40 T42 | A40-E44 PolarHBondContact O-N 3.08Å; T42-E44 VanDerWaalsContact C-N 3.31Å |
| 45 | L | 66.6 | Low | 67.2 | Low | 93 Ų | 93 | 59.1 Ų | 59.1 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -81 | -39.9 | 180 | -84.3 | 150.5 | 0 | 0 | 0 | 113 | R18 T42 L43 | R18-L45 VanDerWaalsContact NH1-CD1 3.3Å; T42-L45 PolarHBondContact O-N 3.2Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.65Å |
| 46 | V | 69.1 | Low | 65.9 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.036 | 39% | 0.39 | C | S | . | . | trans | -135.4 | 73.4 | -174.3 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | L7 A15 T42 L43 T48 A49 L69 | L7-V46 HydrophobicContact CD1-CG1 3.81Å; L7-V46 HydrophobicContact CD2-CG1 4.06Å; L7-V46 HydrophobicContact CD2-CG2 4.03Å; A15-V46 HydrophobicContact CB-CG2 4.08Å; T42-V46 PolarHBondContact O-N 3.1Å; L43-V46 CarbonylContact O-C 3.58Å; V46-T48 PolarHBondContact O-N 3.12Å; V46-A49 HydrophobicContact CB-CB 4.25Å; V46-A49 HydrophobicContact CG1-CB 3.87Å; V46-A49 WeakPolarHBondContact O-CB 3.38Å; V46-A49 PolarHBondContact O-N 3Å; V46-L69 HydrophobicContact CG1-CD2 4.42Å | ||
| 47 | P | 65.9 | Low | 65.6 | Low | 80 Ų | 80 | 63 Ų | 63 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -60.9 | -34.7 | -174 | 18.6 | -29.5 | 0 | 0 | 0 | 112.6 | L43 A49 F50 | L43-P47 WeakPolarHBondContact O-CA 3.45Å; P47-A49 PolarHBondContact O-N 3.49Å; P47-A49 VanDerWaalsContact O-N 3.11Å; P47-F50 PolarHBondContact O-N 3.45Å; P47-F50 VanDerWaalsContact O-N 3.16Å |
| 48 | T | 63.8 | Low | 65.7 | Low | 50 Ų | 50 | 60.4 Ų | 60.4 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -68 | -8.6 | 177.6 | 61 | 0 | 0 | 0 | 0 | 114 | V46 F50 K72 | V46-T48 PolarHBondContact O-N 3.12Å; T48-F50 VanDerWaalsContact C-N 3.34Å; T48-K72 PolarHBondContact O-NZ 3.03Å; T48-K72 PolarHBondContact OG1-NZ 3.45Å |
| 49 | A | 57.5 | Low | 65.9 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -76.7 | -22.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V46 P47 R68 L69 | V46-A49 HydrophobicContact CB-CB 4.25Å; V46-A49 HydrophobicContact CG1-CB 3.87Å; V46-A49 WeakPolarHBondContact O-CB 3.38Å; V46-A49 PolarHBondContact O-N 3Å; P47-A49 PolarHBondContact O-N 3.49Å; P47-A49 VanDerWaalsContact O-N 3.11Å; A49-R68 WeakPolarHBondContact O-CD 3.33Å; A49-R68 PolarHBondContact O-NH1 3.32Å; A49-L69 HydrophobicContact CB-CD2 4.15Å; A49-L69 HydrophobicContact CB-CG 4.29Å |
| 50 | F | 60.3 | Low | 66.1 | Low | 16 Ų | 16 | 58.2 Ų | 58.2 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -109.2 | -0 | -168 | -72.7 | -91.2 | 0 | 0 | 0 | 115.7 | T39 L43 P47 T48 G52 C53 A65 | T39-F50 HydrophobicContact CG2-CE1 3.74Å; T39-F50 HydrophobicContact CG2-CZ 4.05Å; L43-F50 HydrophobicContact CB-CD2 4.01Å; L43-F50 HydrophobicContact CB-CE2 4.12Å; L43-F50 HydrophobicContact CB-CG 4.49Å; L43-F50 HydrophobicContact CD1-CB 3.51Å; L43-F50 HydrophobicContact CD1-CD1 3.62Å; L43-F50 HydrophobicContact CD1-CD2 3.73Å; L43-F50 HydrophobicContact CD1-CE1 4.17Å; L43-F50 HydrophobicContact CD1-CE2 4.3Å; L43-F50 HydrophobicContact CD1-CG 3.34Å; L43-F50 HydrophobicContact CD1-CZ 4.48Å; L43-F50 HydrophobicContact CG-CB 3.85Å; L43-F50 HydrophobicContact CG-CD1 4.43Å; L43-F50 HydrophobicContact CG-CD2 3.61Å; L43-F50 HydrophobicContact CG-CE2 4.22Å; L43-F50 HydrophobicContact CG-CG 3.73Å; P47-F50 PolarHBondContact O-N 3.45Å; P47-F50 VanDerWaalsContact O-N 3.16Å; T48-F50 VanDerWaalsContact C-N 3.34Å; F50-G52 PolarHBondContact O-N 3.33Å; F50-G52 VanDerWaalsContact O-N 3.1Å; F50-C53 HydrophobicContact CD1-CB 4.45Å; F50-C53 WeakPolarHBondContact O-CB 3.43Å; F50-C53 PolarHBondContact O-N 2.98Å; F50-A65 HydrophobicContact CD1-CB 3.86Å; F50-A65 HydrophobicContact CE1-CB 3.21Å; F50-A65 HydrophobicContact CE2-CB 4.29Å; F50-A65 HydrophobicContact CZ-CB 3.46Å; F50-A65 VanDerWaalsContact CZ-CB 3.46Å |
| 51 | E | 56.9 | Low | 66.4 | Low | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 114 | 179.6 | -73.9 | -179.3 | 164.8 | 0 | 0 | 112.9 | R68 | E51-R68 VanDerWaalsContact N-NH1 3.14Å; E51-R68 PolarHBondContact O-NH1 2.9Å; E51-R68 PolarHBondContact O-NH2 3.37Å |
| 52 | G | 55.6 | Low | 67 | Low | 73 Ų | 73 | 54.8 Ų | 54.8 | 75% | 0.753 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 12.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F50 A54 | F50-G52 PolarHBondContact O-N 3.33Å; F50-G52 VanDerWaalsContact O-N 3.1Å; G52-A54 VanDerWaalsContact C-N 3.26Å |
| 53 | C | 55.3 | Low | 67.9 | Low | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | trans | -81.2 | -2.6 | 169.3 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | F50 G55 T61 | F50-C53 HydrophobicContact CD1-CB 4.45Å; F50-C53 WeakPolarHBondContact O-CB 3.43Å; F50-C53 PolarHBondContact O-N 2.98Å; C53-G55 PolarHBondContact O-N 3.35Å; C53-T61 HydrophobicContact CB-CG2 3.84Å | ||
| 54 | A | 46.8 | Very low | 68.5 | Low | 103 Ų | 103 | 53.9 Ų | 53.9 | 85% | 0.851 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 116.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G52 | G52-A54 VanDerWaalsContact C-N 3.26Š|
| 55 | G | 53.5 | Low | 69.3 | Low | 72 Ų | 72 | 45.7 Ų | 45.7 | 74% | 0.742 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.7 | -19.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117 | C53 | C53-G55 PolarHBondContact O-N 3.35Š|
| 56 | D | 55.2 | Low | 70.3 | Confident | 92 Ų | 92 | 41.3 Ų | 41.3 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -120 | 155.7 | -177.6 | -62.9 | -37.4 | 0 | 0 | 0 | 111.8 | T61 K64 | D56-T61 PolarHBondContact O-OG1 3.02Å; D56-K64 IonicContact OD2-NZ 3.72Å; D56-K64 PolarHBondContact OD2-NZ 3.17Å |
| 57 | N | 76 | Confident | 71.2 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | trans | -21.8 | 136.1 | 165 | 169 | -38.8 | 0 | 0 | 0 | 115 | R59 G60 T61 E132 R141 | N57-R59 VanDerWaalsContact C-N 3.28Å; N57-R59 PolarHBondContact O-N 2.9Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.5Å; N57-R59 PolarHBondContact OD1-N 3.1Å; N57-G60 VanDerWaalsContact O-CA 3.3Å; N57-G60 WeakPolarHBondContact O-CA 3.46Å; N57-G60 PolarHBondContact O-N 3.49Å; N57-T61 PolarHBondContact O-N 3.04Å; N57-T61 VanDerWaalsContact O-N 3.07Å; N57-T61 PolarHBondContact O-OG1 3.18Å; N57-E132 PolarHBondContact ND2-OE1 3.44Å; N57-R141 VanDerWaalsContact CG-NH2 3.3Å; N57-R141 PolarHBondContact ND2-NH2 3.03Å; N57-R141 PolarHBondContact OD1-NH2 3.39Å | ||
| 58 | I | 82.4 | Confident | 72.1 | Confident | 67 Ų | 67 | 45 Ų | 45 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -42.4 | -47.5 | -177.6 | -65.6 | 165.7 | 0 | 0 | 0 | 113.4 | D32 L35 V36 G60 T61 F62 | D32-I58 HydrophobicContact CB-CD1 4.03Å; D32-I58 HydrophobicContact CB-CG2 4.36Å; L35-I58 HydrophobicContact CB-CG2 3.81Å; L35-I58 HydrophobicContact CD1-CG2 4.45Å; V36-I58 HydrophobicContact CG2-CB 4.49Å; V36-I58 HydrophobicContact CG2-CD1 3.78Å; V36-I58 HydrophobicContact CG2-CG1 3.92Å; V36-I58 HydrophobicContact CG2-CG2 3.74Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 2.98Å; I58-T61 WeakPolarHBondContact O-CB 3.46Å; I58-T61 PolarHBondContact O-N 3.47Å; I58-F62 PolarHBondContact O-N 3.35Å; I58-F62 VanDerWaalsContact O-N 3.09Å |
| 59 | R | 84 | Confident | 73.2 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -36.4 | -179.5 | -59.2 | 177.5 | -173.9 | -177.5 | 6.5 | 111.7 | D32 L35 N57 F62 L63 I101 E130 | D32-R59 VanDerWaalsContact OD1-CG 3.25Å; D32-R59 WeakPolarHBondContact OD1-CG 3.43Å; D32-R59 IonicContact OD1-CZ 3.6Å; D32-R59 IonicContact OD1-NE 3.54Å; D32-R59 PolarHBondContact OD1-NE 3.23Å; D32-R59 IonicContact OD1-NH2 2.97Å; D32-R59 IonicContact OD2-CZ 3.53Å; D32-R59 IonicContact OD2-NE 2.7Å; D32-R59 IonicContact OD2-NH2 2.6Å; D32-R59 PolarHBondContact OD2-NH2 3.27Å; L35-R59 HydrophobicContact CD1-CB 4.49Å; L35-R59 HydrophobicContact CD1-CG 3.85Å; N57-R59 VanDerWaalsContact C-N 3.28Å; N57-R59 PolarHBondContact O-N 2.9Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.5Å; N57-R59 PolarHBondContact OD1-N 3.1Å; R59-F62 PolarHBondContact O-N 3.44Å; R59-L63 VanDerWaalsContact O-CG 3.29Å; R59-L63 WeakPolarHBondContact O-CG 3.48Å; R59-L63 PolarHBondContact O-N 2.81Å; R59-I101 HydrophobicContact CB-CG2 4.04Å; R59-I101 HydrophobicContact CG-CG2 4.17Å; R59-E130 VanDerWaalsContact CZ-O 3.25Å; R59-E130 PolarHBondContact NH1-O 3.46Å; R59-E130 PolarHBondContact NH2-O 3.38Å |
| 60 | G | 81.5 | Confident | 74.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N57 I58 F62 L63 K64 | N57-G60 VanDerWaalsContact O-CA 3.3Å; N57-G60 WeakPolarHBondContact O-CA 3.46Å; N57-G60 PolarHBondContact O-N 3.49Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 2.98Å; G60-F62 PolarHBondContact O-N 3.18Å; G60-L63 PolarHBondContact O-N 2.93Å; G60-K64 WeakPolarHBondContact O-CG 3.27Å; G60-K64 PolarHBondContact O-N 2.86Å |
| 61 | T | 81.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 174.5 | -38.1 | 0 | 0 | 0 | 0 | 111.2 | C53 D56 N57 I58 K64 A65 | C53-T61 HydrophobicContact CB-CG2 3.84Å; D56-T61 PolarHBondContact O-OG1 3.02Å; N57-T61 PolarHBondContact O-N 3.04Å; N57-T61 VanDerWaalsContact O-N 3.07Å; N57-T61 PolarHBondContact O-OG1 3.18Å; I58-T61 WeakPolarHBondContact O-CB 3.46Å; I58-T61 PolarHBondContact O-N 3.47Å; T61-K64 PolarHBondContact O-N 2.9Å; T61-A65 PolarHBondContact O-N 3.33Å |
| 62 | F | 87.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.6 | 171.4 | -96.2 | 0 | 0 | 0 | 112.1 | L19 L35 T39 I58 R59 G60 K64 A65 V66 V97 I101 | L19-F62 HydrophobicContact CB-CE2 4.27Å; L19-F62 HydrophobicContact CD2-CD2 3.86Å; L19-F62 HydrophobicContact CD2-CE2 3.7Å; L35-F62 HydrophobicContact CD2-CB 4.28Å; L35-F62 HydrophobicContact CD2-CD1 4.07Å; L35-F62 HydrophobicContact CD2-CD2 3.58Å; L35-F62 HydrophobicContact CD2-CE1 4.31Å; L35-F62 HydrophobicContact CD2-CE2 3.82Å; L35-F62 HydrophobicContact CD2-CG 3.71Å; L35-F62 HydrophobicContact CD2-CZ 4.18Å; T39-F62 HydrophobicContact CG2-CB 4.21Å; T39-F62 HydrophobicContact CG2-CD2 4.16Å; I58-F62 PolarHBondContact O-N 3.35Å; I58-F62 VanDerWaalsContact O-N 3.09Å; R59-F62 PolarHBondContact O-N 3.44Å; G60-F62 PolarHBondContact O-N 3.18Å; F62-K64 VanDerWaalsContact C-N 3.31Å; F62-K64 PolarHBondContact O-N 3.12Å; F62-A65 WeakPolarHBondContact O-CB 3.38Å; F62-A65 PolarHBondContact O-N 3.27Å; F62-V66 HydrophobicContact CD1-CG2 4.39Å; F62-V66 HydrophobicContact CD2-CG2 4.49Å; F62-V66 HydrophobicContact CE1-CG2 3.94Å; F62-V66 HydrophobicContact CE2-CG2 4.08Å; F62-V66 HydrophobicContact CZ-CG2 3.79Å; F62-V66 WeakPolarHBondContact O-CG2 3.24Å; F62-V66 PolarHBondContact O-N 3.25Å; F62-V97 HydrophobicContact CE1-CG1 3.96Å; F62-V97 HydrophobicContact CZ-CG1 3.88Å; F62-I101 HydrophobicContact CD1-CD1 4.24Å; F62-I101 HydrophobicContact CE1-CD1 3.81Å; F62-I101 HydrophobicContact CZ-CD1 4.38Å |
| 63 | L | 86.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -36 | 179.7 | -70.4 | 166.2 | 0 | 0 | 0 | 112.5 | R59 G60 K67 V98 R141 Y144 | R59-L63 VanDerWaalsContact O-CG 3.29Å; R59-L63 WeakPolarHBondContact O-CG 3.48Å; R59-L63 PolarHBondContact O-N 2.81Å; G60-L63 PolarHBondContact O-N 2.93Å; L63-K67 WeakPolarHBondContact O-CB 3.5Å; L63-K67 PolarHBondContact O-N 3.09Å; L63-V98 HydrophobicContact CD2-CB 4.37Å; L63-V98 HydrophobicContact CD2-CG1 4.1Å; L63-V98 HydrophobicContact CD2-CG2 4.23Å; L63-R141 HydrophobicContact CD1-CG 3.67Å; L63-Y144 HydrophobicContact CB-CD1 4.42Å; L63-Y144 HydrophobicContact CB-CE1 4.02Å |
| 64 | K | 85.1 | Confident | 79.6 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.4 | -77.8 | 173.6 | 177.3 | 179.2 | 0 | 112 | D56 G60 T61 F62 K67 R68 Y144 | D56-K64 IonicContact OD2-NZ 3.72Å; D56-K64 PolarHBondContact OD2-NZ 3.17Å; G60-K64 WeakPolarHBondContact O-CG 3.27Å; G60-K64 PolarHBondContact O-N 2.86Å; T61-K64 PolarHBondContact O-N 2.9Å; F62-K64 VanDerWaalsContact C-N 3.31Å; F62-K64 PolarHBondContact O-N 3.12Å; K64-K67 PolarHBondContact O-N 3.3Å; K64-R68 PolarHBondContact O-N 3.13Å; K64-R68 VanDerWaalsContact O-N 3.1Å; K64-Y144 WeakPolarHBondContact CA-OH 3.39Å; K64-Y144 HydrophobicContact CG-CE1 4.33Å; K64-Y144 HydrophobicContact CG-CE2 4.28Å; K64-Y144 VanDerWaalsContact CG-OH 3.3Å; K64-Y144 WeakPolarHBondContact CG-OH 3.49Å |
| 65 | A | 84.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F50 T61 F62 K67 R68 L69 | F50-A65 HydrophobicContact CD1-CB 3.86Å; F50-A65 HydrophobicContact CE1-CB 3.21Å; F50-A65 HydrophobicContact CE2-CB 4.29Å; F50-A65 HydrophobicContact CZ-CB 3.46Å; F50-A65 VanDerWaalsContact CZ-CB 3.46Å; T61-A65 PolarHBondContact O-N 3.33Å; F62-A65 WeakPolarHBondContact O-CB 3.38Å; F62-A65 PolarHBondContact O-N 3.27Å; A65-K67 PolarHBondContact O-N 3.15Å; A65-R68 PolarHBondContact O-N 3.22Å; A65-L69 PolarHBondContact O-N 3.06Å |
| 66 | V | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L16 L19 F62 R68 L69 I70 V94 V98 | L16-V66 HydrophobicContact CD2-CG1 4.4Å; L19-V66 HydrophobicContact CD1-CG2 4.49Å; F62-V66 HydrophobicContact CD1-CG2 4.39Å; F62-V66 HydrophobicContact CD2-CG2 4.49Å; F62-V66 HydrophobicContact CE1-CG2 3.94Å; F62-V66 HydrophobicContact CE2-CG2 4.08Å; F62-V66 HydrophobicContact CZ-CG2 3.79Å; F62-V66 WeakPolarHBondContact O-CG2 3.24Å; F62-V66 PolarHBondContact O-N 3.25Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.4Å; V66-L69 PolarHBondContact O-N 3.44Å; V66-I70 HydrophobicContact CG1-CD1 4.15Å; V66-I70 PolarHBondContact O-N 3.34Å; V66-V94 HydrophobicContact CG1-CG1 3.3Å; V66-V98 HydrophobicContact CG1-CG2 3.75Å |
| 67 | K | 87.6 | Confident | 82.9 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.7 | -42 | 177.3 | 176.1 | -178.5 | -174.4 | -179.5 | 0 | 112.1 | L63 K64 A65 G71 Y144 F148 | L63-K67 WeakPolarHBondContact O-CB 3.5Å; L63-K67 PolarHBondContact O-N 3.09Å; K64-K67 PolarHBondContact O-N 3.3Å; A65-K67 PolarHBondContact O-N 3.15Å; K67-G71 PolarHBondContact O-N 2.92Å; K67-Y144 HydrophobicContact CD-CE2 4.42Å; K67-Y144 WeakPolarHBondContact CD-OH 3.45Å; K67-F148 HydrophobicContact CB-CD2 4Å; K67-F148 HydrophobicContact CB-CE1 4.49Å; K67-F148 HydrophobicContact CB-CE2 3.85Å; K67-F148 HydrophobicContact CB-CG 4.38Å; K67-F148 HydrophobicContact CB-CZ 4.09Å; K67-F148 HydrophobicContact CD-CD2 4.04Å; K67-F148 HydrophobicContact CD-CG 4.44Å; K67-F148 HydrophobicContact CG-CD2 3.58Å; K67-F148 HydrophobicContact CG-CE2 3.68Å; K67-F148 HydrophobicContact CG-CG 4.28Å; K67-F148 HydrophobicContact CG-CZ 4.42Å |
| 68 | R | 84.5 | Confident | 81.7 | Confident | 99 Ų | 99 | 39 Ų | 39 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 180 | -106.6 | -176.1 | 177.1 | 169.4 | 1.6 | 113 | A49 E51 K64 A65 V66 I70 G71 K72 | A49-R68 WeakPolarHBondContact O-CD 3.33Å; A49-R68 PolarHBondContact O-NH1 3.32Å; E51-R68 VanDerWaalsContact N-NH1 3.14Å; E51-R68 PolarHBondContact O-NH1 2.9Å; E51-R68 PolarHBondContact O-NH2 3.37Å; K64-R68 PolarHBondContact O-N 3.13Å; K64-R68 VanDerWaalsContact O-N 3.1Å; A65-R68 PolarHBondContact O-N 3.22Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.4Å; R68-I70 VanDerWaalsContact C-N 3.35Å; R68-G71 PolarHBondContact O-N 2.92Å; R68-K72 PolarHBondContact O-N 2.88Å |
| 69 | L | 86.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 176.4 | -76 | 167.6 | 0 | 0 | 0 | 111 | I12 A15 L16 L19 V46 A49 A65 V66 G71 K72 Y73 | I12-L69 HydrophobicContact CG2-CB 4.27Å; I12-L69 HydrophobicContact CG2-CD2 4.18Å; I12-L69 WeakPolarHBondContact CG2-O 3.36Å; A15-L69 HydrophobicContact CB-CD1 4.33Å; A15-L69 HydrophobicContact CB-CD2 4.24Å; L16-L69 HydrophobicContact CD2-CB 3.7Å; L16-L69 HydrophobicContact CD2-CD1 4.08Å; L16-L69 HydrophobicContact CG-CB 3.98Å; L16-L69 HydrophobicContact CG-CD1 4.36Å; L19-L69 HydrophobicContact CD1-CD1 3.35Å; V46-L69 HydrophobicContact CG1-CD2 4.42Å; A49-L69 HydrophobicContact CB-CD2 4.15Å; A49-L69 HydrophobicContact CB-CG 4.29Å; A65-L69 PolarHBondContact O-N 3.06Å; V66-L69 PolarHBondContact O-N 3.44Å; L69-G71 VanDerWaalsContact C-N 3.33Å; L69-G71 PolarHBondContact O-N 2.99Å; L69-K72 PolarHBondContact O-N 3.32Å; L69-Y73 PolarHBondContact O-N 3.12Å |
| 70 | I | 86.7 | Confident | 78.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.2 | -75.7 | 176.8 | 0 | 0 | 0 | 111.1 | L16 V66 R68 K72 Y73 M74 L91 V94 F148 L152 | L16-I70 HydrophobicContact CD1-CG1 4.13Å; L16-I70 HydrophobicContact CD2-CG1 4.22Å; V66-I70 HydrophobicContact CG1-CD1 4.15Å; V66-I70 PolarHBondContact O-N 3.34Å; R68-I70 VanDerWaalsContact C-N 3.35Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.03Å; I70-Y73 WeakPolarHBondContact O-CB 3.42Å; I70-Y73 PolarHBondContact O-N 3.46Å; I70-M74 HydrophobicContact CG2-CG 4.45Å; I70-M74 WeakPolarHBondContact O-CG 3.27Å; I70-M74 PolarHBondContact O-N 3.48Å; I70-L91 HydrophobicContact CD1-CD2 4.27Å; I70-L91 HydrophobicContact CG1-CD2 4.09Å; I70-V94 HydrophobicContact CD1-CB 4.33Å; I70-V94 HydrophobicContact CD1-CG1 3.55Å; I70-F148 HydrophobicContact CB-CZ 4.31Å; I70-F148 HydrophobicContact CD1-CZ 3.75Å; I70-F148 HydrophobicContact CG2-CE2 4.32Å; I70-F148 HydrophobicContact CG2-CZ 4.34Å; I70-L152 HydrophobicContact CD1-CD1 4.44Å; I70-L152 HydrophobicContact CG2-CD2 3.87Å; I70-L152 HydrophobicContact CG2-CG 4.4Å |
| 71 | G | 84.1 | Confident | 77.2 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K67 R68 L69 M74 A75 | K67-G71 PolarHBondContact O-N 2.92Å; R68-G71 PolarHBondContact O-N 2.92Å; L69-G71 VanDerWaalsContact C-N 3.33Å; L69-G71 PolarHBondContact O-N 2.99Å; G71-M74 PolarHBondContact O-N 2.83Å; G71-A75 PolarHBondContact O-N 3.31Å |
| 72 | K | 83 | Confident | 76.4 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 27% | 0.265 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 174.5 | -72.6 | -173.4 | 178.3 | -176.4 | 0 | 112 | I12 T48 R68 L69 I70 M74 A75 L76 | I12-K72 HydrophobicContact CD1-CB 3.87Å; T48-K72 PolarHBondContact O-NZ 3.03Å; T48-K72 PolarHBondContact OG1-NZ 3.45Å; R68-K72 PolarHBondContact O-N 2.88Å; L69-K72 PolarHBondContact O-N 3.32Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.03Å; K72-M74 VanDerWaalsContact C-N 3.3Å; K72-M74 PolarHBondContact O-N 3.43Å; K72-A75 PolarHBondContact O-N 3.33Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.34Å; K72-L76 VanDerWaalsContact O-N 3.14Å |
| 73 | Y | 85.8 | Confident | 75.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 176 | -179.7 | -93.9 | 0 | 0 | 0 | 111.4 | Q9 V13 L69 I70 L76 Q77 H87 L91 | Q9-Y73 HydrophobicContact CB-CE2 4.27Å; Q9-Y73 HydrophobicContact CG-CD2 4.16Å; Q9-Y73 HydrophobicContact CG-CE2 4Å; V13-Y73 HydrophobicContact CG2-CD2 3.79Å; V13-Y73 HydrophobicContact CG2-CE2 3.51Å; L69-Y73 PolarHBondContact O-N 3.12Å; I70-Y73 WeakPolarHBondContact O-CB 3.42Å; I70-Y73 PolarHBondContact O-N 3.46Å; Y73-L76 PolarHBondContact O-N 3.25Å; Y73-Q77 PolarHBondContact O-N 3.38Å; Y73-H87 AromaticContact CE2-ND1 3.65Å; Y73-H87 AromaticContact CZ-ND1 3.73Å; Y73-H87 WeakPolarHBondContact OH-CB 3.49Å; Y73-H87 PolarHBondContact OH-ND1 2.88Å; Y73-L91 HydrophobicContact CD1-CD1 4.33Å; Y73-L91 HydrophobicContact CE1-CD1 3.84Å |
| 74 | M | 80.8 | Confident | 75.7 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 18% | 0.177 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 178.4 | -67.9 | -57.5 | -175.3 | 0 | 0 | 112.7 | I70 G71 K72 L76 Q77 L152 Q155 L158 | I70-M74 HydrophobicContact CG2-CG 4.45Å; I70-M74 WeakPolarHBondContact O-CG 3.27Å; I70-M74 PolarHBondContact O-N 3.48Å; G71-M74 PolarHBondContact O-N 2.83Å; K72-M74 VanDerWaalsContact C-N 3.3Å; K72-M74 PolarHBondContact O-N 3.43Å; M74-L76 PolarHBondContact O-N 3Å; M74-Q77 PolarHBondContact O-N 2.79Å; M74-L152 HydrophobicContact CE-CD2 4.46Å; M74-Q155 HydrophobicContact CE-CG 4.26Å; M74-L158 HydrophobicContact CE-CD1 3.12Å; M74-L158 HydrophobicContact CE-CG 3.82Å |
| 75 | A | 80.3 | Confident | 75.6 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -27.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G71 K72 | G71-A75 PolarHBondContact O-N 3.31Å; K72-A75 PolarHBondContact O-N 3.33Å |
| 76 | L | 77.3 | Confident | 75.6 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.4 | 178.4 | -73.1 | 160.4 | 0 | 0 | 0 | 113.6 | L7 Q9 I12 K72 Y73 M74 I78 | L7-L76 WeakPolarHBondContact O-CD1 3.5Å; Q9-L76 HydrophobicContact CG-CB 4.09Å; Q9-L76 PolarHBondContact NE2-O 3.11Å; I12-L76 HydrophobicContact CD1-CD1 3.28Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.34Å; K72-L76 VanDerWaalsContact O-N 3.14Å; Y73-L76 PolarHBondContact O-N 3.25Å; M74-L76 PolarHBondContact O-N 3Å; L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3.3Å |
| 77 | Q | 67.6 | Low | 75.6 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | trans | -78.8 | 83.3 | 172.4 | -85.1 | -133.2 | -23.2 | 0 | 0 | 110.8 | Y73 M74 | Y73-Q77 PolarHBondContact O-N 3.38Å; M74-Q77 PolarHBondContact O-N 2.79Å | ||
| 78 | I | 49.9 | Very low | 75.6 | Confident | 148 Ų | 148 | 74.2 Ų | 74.2 | 76% | 0.759 | 40% | 0.397 | S | S | * | . | trans | -91.9 | 114.5 | 171.1 | -54 | 171.7 | 0 | 0 | 0 | 107.3 | L76 | L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3.3Å | ||
| 79 | S | 51.2 | Low | 75.8 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 93 | 169.9 | 175.3 | 87.9 | 0 | 0 | 0 | 0 | 118.6 | E81 K157 | S79-E81 PolarHBondContact O-N 2.81Å; S79-K157 PolarHBondContact O-NZ 2.84Å |
| 80 | V | 49.3 | Very low | 75.8 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 87% | 0.867 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -66.7 | 1.6 | -157.6 | 178.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 81 | E | 53 | Low | 76 | Confident | 149 Ų | 149 | 78.3 Ų | 78.3 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 136.4 | -176.6 | -67.9 | -175.1 | 162.9 | 0 | 0 | 113 | S79 K157 | S79-E81 PolarHBondContact O-N 2.81Å; E81-K157 PolarHBondContact O-NZ 3.11Å |
| 82 | Q | 65.9 | Low | 76.2 | Confident | 188 Ų | 188 | 77.8 Ų | 77.8 | 88% | 0.879 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 139.1 | 173.8 | -78.8 | -178.4 | -22.3 | 0 | 0 | 110 | S84 | Q82-S84 PolarHBondContact O-N 3.05Š|
| 83 | I | 76.6 | Confident | 76.5 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.087 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 129.2 | 171 | -65.5 | 166.7 | 0 | 0 | 0 | 108.4 | H87 M88 L91 K157 L158 | I83-H87 HydrophobicContact CG2-CB 3.83Å; I83-M88 HydrophobicContact CB-CE 3.69Å; I83-M88 HydrophobicContact CD1-CE 3.82Å; I83-M88 HydrophobicContact CG1-CE 4.33Å; I83-M88 HydrophobicContact CG2-CB 4.16Å; I83-M88 HydrophobicContact CG2-CE 3.76Å; I83-L91 HydrophobicContact CD1-CD1 4.5Å; I83-L91 HydrophobicContact CG2-CD1 4.24Å; I83-K157 HydrophobicContact CD1-CB 3.88Å; I83-K157 HydrophobicContact CG1-CD 4.44Å; I83-L158 HydrophobicContact CD1-CD2 3.84Å; I83-L158 HydrophobicContact CD1-CG 4.14Å |
| 84 | S | 82.8 | Confident | 76.8 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 148.2 | 179.1 | 85 | 0 | 0 | 0 | 0 | 110.9 | Q82 D86 H87 M88 | Q82-S84 PolarHBondContact O-N 3.05Å; S84-D86 PolarHBondContact O-N 3.15Å; S84-H87 PolarHBondContact O-N 2.89Å; S84-H87 VanDerWaalsContact O-N 3.16Å; S84-H87 WeakPolarHBondContact OG-CB 3.5Å; S84-H87 PolarHBondContact OG-CD2 3.29Å; S84-H87 VanDerWaalsContact OG-CD2 3.24Å; S84-H87 PolarHBondContact OG-N 3.01Å; S84-M88 PolarHBondContact O-N 3.21Å |
| 85 | K | 82.9 | Confident | 77.2 | Confident | 183 Ų | 183 | 76.5 Ų | 76.5 | 80% | 0.796 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.2 | -35.5 | -179.3 | -79.7 | -176.6 | 176.3 | 176.4 | 0 | 112.7 | M88 K89 | K85-M88 PolarHBondContact O-N 3.46Å; K85-K89 PolarHBondContact O-N 3.21Å |
| 86 | D | 83.6 | Confident | 77.6 | Confident | 109 Ų | 109 | 73.5 Ų | 73.5 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -73.2 | -41.1 | -179.9 | -65.8 | -35.3 | 0 | 0 | 0 | 111.8 | S84 M88 K89 I90 | S84-D86 PolarHBondContact O-N 3.15Å; D86-M88 VanDerWaalsContact C-N 3.3Å; D86-M88 PolarHBondContact O-N 3.04Å; D86-K89 PolarHBondContact O-N 3.32Å; D86-I90 PolarHBondContact O-N 2.89Å |
| 87 | H | 88.4 | Confident | 78.2 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 173.5 | -66.4 | -171.8 | 0 | 0 | 0 | 110.9 | V13 Y73 I83 S84 I90 L91 | V13-H87 HydrophobicContact CG2-CB 4.49Å; Y73-H87 AromaticContact CE2-ND1 3.65Å; Y73-H87 AromaticContact CZ-ND1 3.73Å; Y73-H87 WeakPolarHBondContact OH-CB 3.49Å; Y73-H87 PolarHBondContact OH-ND1 2.88Å; I83-H87 HydrophobicContact CG2-CB 3.83Å; S84-H87 PolarHBondContact O-N 2.89Å; S84-H87 VanDerWaalsContact O-N 3.16Å; S84-H87 WeakPolarHBondContact OG-CB 3.5Å; S84-H87 PolarHBondContact OG-CD2 3.29Å; S84-H87 VanDerWaalsContact OG-CD2 3.24Å; S84-H87 PolarHBondContact OG-N 3.01Å; H87-I90 PolarHBondContact O-N 2.95Å; H87-L91 WeakPolarHBondContact O-CG 3.46Å; H87-L91 PolarHBondContact O-N 3.14Å |
| 88 | M | 87.9 | Confident | 79.3 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.1 | -168.2 | 62.1 | 72.5 | 0 | 0 | 111.8 | I83 S84 K85 D86 I90 L91 L92 L158 E161 | I83-M88 HydrophobicContact CB-CE 3.69Å; I83-M88 HydrophobicContact CD1-CE 3.82Å; I83-M88 HydrophobicContact CG1-CE 4.33Å; I83-M88 HydrophobicContact CG2-CB 4.16Å; I83-M88 HydrophobicContact CG2-CE 3.76Å; S84-M88 PolarHBondContact O-N 3.21Å; K85-M88 PolarHBondContact O-N 3.46Å; D86-M88 VanDerWaalsContact C-N 3.3Å; D86-M88 PolarHBondContact O-N 3.04Å; M88-I90 VanDerWaalsContact C-N 3.29Å; M88-I90 PolarHBondContact O-N 3.47Å; M88-L91 PolarHBondContact O-N 3.25Å; M88-L92 HydrophobicContact CG-CD1 4.2Å; M88-L92 HydrophobicContact CG-CG 4.4Å; M88-L92 WeakPolarHBondContact O-CB 3.48Å; M88-L92 VanDerWaalsContact O-CG 3.29Å; M88-L92 WeakPolarHBondContact O-CG 3.33Å; M88-L92 PolarHBondContact O-N 3.41Å; M88-L158 HydrophobicContact CE-CD2 3.88Å; M88-L158 HydrophobicContact SD-CD2 3.48Å; M88-L158 WeakPolarHBondContact SD-CD2 3.4Å; M88-E161 HydrophobicContact CG-CG 4.08Å; M88-E161 HydrophobicContact SD-CB 4.3Å; M88-E161 HydrophobicContact SD-CG 4.09Å |
| 89 | K | 87.8 | Confident | 81.1 | Confident | 147 Ų | 147 | 61.3 Ų | 61.3 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.8 | -43.9 | 175.4 | -86.3 | -179.9 | 178.7 | 171.2 | 0 | 112.1 | K85 D86 L92 K93 | K85-K89 PolarHBondContact O-N 3.21Å; D86-K89 PolarHBondContact O-N 3.32Å; K89-L92 PolarHBondContact O-N 3.28Å; K89-K93 WeakPolarHBondContact O-CB 3.47Å; K89-K93 PolarHBondContact O-N 3.32Å |
| 90 | I | 87.8 | Confident | 82.9 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 179.3 | -67.7 | 168.9 | 0 | 0 | 0 | 109.9 | V13 L16 I20 D86 H87 M88 L92 K93 V94 | V13-I90 HydrophobicContact CG1-CB 4.31Å; V13-I90 HydrophobicContact CG1-CD1 3.25Å; V13-I90 HydrophobicContact CG1-CG1 4.35Å; V13-I90 HydrophobicContact CG1-CG2 4.22Å; L16-I90 HydrophobicContact CB-CG2 4.25Å; I20-I90 HydrophobicContact CD1-CG2 4.13Å; D86-I90 PolarHBondContact O-N 2.89Å; H87-I90 PolarHBondContact O-N 2.95Å; M88-I90 VanDerWaalsContact C-N 3.29Å; M88-I90 PolarHBondContact O-N 3.47Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.05Å; I90-K93 CarbonylContact O-C 3.43Å; I90-K93 WeakPolarHBondContact O-CA 3.39Å; I90-K93 WeakPolarHBondContact O-CB 3.48Å; I90-K93 PolarHBondContact O-N 2.61Å; I90-K93 VanDerWaalsContact O-N 3.08Å; I90-V94 HydrophobicContact CG2-CG2 4.39Å; I90-V94 VanDerWaalsContact O-CG2 3.31Å; I90-V94 WeakPolarHBondContact O-CG2 3.41Å; I90-V94 PolarHBondContact O-N 3.12Å |
| 91 | L | 89.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.8 | -74.9 | 165.8 | 0 | 0 | 0 | 112.5 | I70 Y73 I83 H87 M88 K93 V94 V95 L158 | I70-L91 HydrophobicContact CD1-CD2 4.27Å; I70-L91 HydrophobicContact CG1-CD2 4.09Å; Y73-L91 HydrophobicContact CD1-CD1 4.33Å; Y73-L91 HydrophobicContact CE1-CD1 3.84Å; I83-L91 HydrophobicContact CD1-CD1 4.5Å; I83-L91 HydrophobicContact CG2-CD1 4.24Å; H87-L91 WeakPolarHBondContact O-CG 3.46Å; H87-L91 PolarHBondContact O-N 3.14Å; M88-L91 PolarHBondContact O-N 3.25Å; L91-K93 VanDerWaalsContact C-N 3.31Å; L91-K93 PolarHBondContact O-N 3.04Å; L91-V94 WeakPolarHBondContact O-CB 3.34Å; L91-V94 PolarHBondContact O-N 3.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.26Å; L91-V95 PolarHBondContact O-N 3.12Å; L91-L158 HydrophobicContact CD1-CD2 4.18Å |
| 92 | L | 89.5 | Confident | 86.3 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 175 | -68.6 | 173.8 | 0 | 0 | 0 | 111.6 | M88 K89 I90 V94 V95 E96 E161 L162 N165 F166 | M88-L92 HydrophobicContact CG-CD1 4.2Å; M88-L92 HydrophobicContact CG-CG 4.4Å; M88-L92 WeakPolarHBondContact O-CB 3.48Å; M88-L92 VanDerWaalsContact O-CG 3.29Å; M88-L92 WeakPolarHBondContact O-CG 3.33Å; M88-L92 PolarHBondContact O-N 3.41Å; K89-L92 PolarHBondContact O-N 3.28Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.05Å; L92-V94 VanDerWaalsContact C-N 3.35Å; L92-V95 PolarHBondContact O-N 2.99Å; L92-E96 PolarHBondContact O-N 3.45Å; L92-E161 HydrophobicContact CD1-CG 3.98Å; L92-E161 HydrophobicContact CD2-CG 4.12Å; L92-E161 HydrophobicContact CG-CG 4.49Å; L92-L162 HydrophobicContact CD2-CD2 4.18Å; L92-N165 HydrophobicContact CD2-CB 4.25Å; L92-F166 HydrophobicContact CB-CE2 4.16Å; L92-F166 HydrophobicContact CD2-CD2 4.27Å; L92-F166 HydrophobicContact CD2-CE2 3.82Å; L92-F166 WeakPolarHBondContact O-CE2 3.45Å; L92-F166 VanDerWaalsContact O-CZ 3.25Å; L92-F166 WeakPolarHBondContact O-CZ 3.39Å |
| 93 | K | 88.8 | Confident | 87.3 | Confident | 69 Ų | 69 | 34.6 Ų | 34.6 | 30% | 0.3 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 175.5 | -161.2 | 67.6 | 176.8 | 164.4 | 0 | 112.1 | I20 K89 I90 L91 V95 E96 V97 S122 S123 | I20-K93 HydrophobicContact CD1-CB 3.97Å; I20-K93 HydrophobicContact CD1-CG 4.13Å; K89-K93 WeakPolarHBondContact O-CB 3.47Å; K89-K93 PolarHBondContact O-N 3.32Å; I90-K93 CarbonylContact O-C 3.43Å; I90-K93 WeakPolarHBondContact O-CA 3.39Å; I90-K93 WeakPolarHBondContact O-CB 3.48Å; I90-K93 PolarHBondContact O-N 2.61Å; I90-K93 VanDerWaalsContact O-N 3.08Å; L91-K93 VanDerWaalsContact C-N 3.31Å; L91-K93 PolarHBondContact O-N 3.04Å; K93-V95 VanDerWaalsContact C-N 3.34Å; K93-E96 WeakPolarHBondContact CD-OE2 3Å; K93-E96 IonicContact NZ-OE1 3.9Å; K93-E96 IonicContact NZ-OE2 3.68Å; K93-E96 PolarHBondContact NZ-OE2 3.41Å; K93-E96 WeakPolarHBondContact O-CB 3.32Å; K93-E96 PolarHBondContact O-N 3.06Å; K93-V97 WeakPolarHBondContact O-CG2 3.09Å; K93-V97 PolarHBondContact O-N 3.49Å; K93-V97 VanDerWaalsContact O-N 3.13Å; K93-S122 PolarHBondContact NZ-OG 2.87Å; K93-S123 WeakPolarHBondContact CE-OG 3.37Å; K93-S123 PolarHBondContact NZ-OG 3Å |
| 94 | V | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 110 | L16 I20 V66 I70 I90 L91 L92 E96 V97 V98 | L16-V94 HydrophobicContact CB-CG2 4.17Å; L16-V94 HydrophobicContact CD2-CG1 4.47Å; L16-V94 HydrophobicContact CD2-CG2 4.02Å; L16-V94 HydrophobicContact CG-CG2 4.48Å; I20-V94 HydrophobicContact CD1-CB 4.33Å; I20-V94 HydrophobicContact CD1-CG2 3.43Å; I20-V94 VanDerWaalsContact CD1-CG2 3.43Å; I20-V94 HydrophobicContact CG2-CB 4.48Å; I20-V94 HydrophobicContact CG2-CG2 4Å; V66-V94 HydrophobicContact CG1-CG1 3.3Å; I70-V94 HydrophobicContact CD1-CB 4.33Å; I70-V94 HydrophobicContact CD1-CG1 3.55Å; I90-V94 HydrophobicContact CG2-CG2 4.39Å; I90-V94 VanDerWaalsContact O-CG2 3.31Å; I90-V94 WeakPolarHBondContact O-CG2 3.41Å; I90-V94 PolarHBondContact O-N 3.12Å; L91-V94 WeakPolarHBondContact O-CB 3.34Å; L91-V94 PolarHBondContact O-N 3.42Å; L92-V94 VanDerWaalsContact C-N 3.35Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 2.9Å; V94-V97 PolarHBondContact O-N 2.66Å; V94-V98 HydrophobicContact CG1-CG2 4.03Å; V94-V98 WeakPolarHBondContact O-CB 3.45Å; V94-V98 VanDerWaalsContact O-CG2 3.22Å; V94-V98 WeakPolarHBondContact O-CG2 3.34Å; V94-V98 PolarHBondContact O-N 3.36Å |
| 95 | V | 90.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 179.3 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | L91 L92 K93 V97 V98 I99 L149 L152 L162 F166 | L91-V95 WeakPolarHBondContact O-CG2 3.26Å; L91-V95 PolarHBondContact O-N 3.12Å; L92-V95 PolarHBondContact O-N 2.99Å; K93-V95 VanDerWaalsContact C-N 3.34Å; V95-V97 VanDerWaalsContact C-N 3.33Å; V95-V97 PolarHBondContact O-N 3.37Å; V95-V98 PolarHBondContact O-N 2.82Å; V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.27Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.42Å; V95-I99 PolarHBondContact O-N 3.14Å; V95-L149 HydrophobicContact CG1-CD2 4.07Å; V95-L152 HydrophobicContact CG2-CD1 4.18Å; V95-L162 HydrophobicContact CB-CD2 4.27Å; V95-L162 HydrophobicContact CG1-CD2 4.11Å; V95-L162 HydrophobicContact CG2-CD2 3.81Å; V95-F166 HydrophobicContact CB-CD2 4.29Å; V95-F166 HydrophobicContact CB-CE2 4.09Å; V95-F166 HydrophobicContact CG1-CD1 4.5Å; V95-F166 HydrophobicContact CG1-CD2 3.7Å; V95-F166 HydrophobicContact CG1-CE2 3.96Å; V95-F166 HydrophobicContact CG1-CG 3.99Å; V95-F166 HydrophobicContact CG1-CZ 4.48Å |
| 96 | E | 89.6 | Confident | 87.7 | Confident | 15 Ų | 15 | 24.5 Ų | 24.5 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.5 | -48.9 | 173.1 | -168.5 | -175.3 | 173.2 | 0 | 0 | 111.5 | L92 K93 V94 I99 A100 W121 S122 S123 F166 | L92-E96 PolarHBondContact O-N 3.45Å; K93-E96 WeakPolarHBondContact CD-OE2 3Å; K93-E96 IonicContact NZ-OE1 3.9Å; K93-E96 IonicContact NZ-OE2 3.68Å; K93-E96 PolarHBondContact NZ-OE2 3.41Å; K93-E96 WeakPolarHBondContact O-CB 3.32Å; K93-E96 PolarHBondContact O-N 3.06Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 2.9Å; E96-I99 PolarHBondContact O-N 3.36Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.25Å; E96-W121 HydrophobicContact CG-CE3 3.52Å; E96-W121 HydrophobicContact CG-CZ3 3.92Å; E96-S122 PolarHBondContact OE1-N 3.23Å; E96-S122 VanDerWaalsContact OE1-N 3.13Å; E96-S122 PolarHBondContact OE1-OG 3.15Å; E96-S122 PolarHBondContact OE2-OG 3.23Å; E96-S123 PolarHBondContact OE1-N 3.48Å; E96-S123 PolarHBondContact OE1-OG 3.27Å; E96-S123 PolarHBondContact OE2-OG 3.2Å; E96-F166 HydrophobicContact CB-CE1 3.9Å; E96-F166 HydrophobicContact CB-CZ 3.84Å; E96-F166 HydrophobicContact CG-CE1 4.23Å |
| 97 | V | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | -179.9 | 172 | 0 | 0 | 0 | 0 | 111.8 | I20 F22 F62 K93 V94 V95 A100 I101 | I20-V97 HydrophobicContact CB-CG2 4.17Å; I20-V97 HydrophobicContact CG2-CB 4.48Å; I20-V97 HydrophobicContact CG2-CG1 4.5Å; F22-V97 HydrophobicContact CD2-CG2 4.3Å; F22-V97 HydrophobicContact CE2-CB 4.46Å; F22-V97 HydrophobicContact CE2-CG1 3.73Å; F22-V97 HydrophobicContact CE2-CG2 3.8Å; F22-V97 HydrophobicContact CZ-CG1 4.22Å; F62-V97 HydrophobicContact CE1-CG1 3.96Å; F62-V97 HydrophobicContact CZ-CG1 3.88Å; K93-V97 WeakPolarHBondContact O-CG2 3.09Å; K93-V97 PolarHBondContact O-N 3.49Å; K93-V97 VanDerWaalsContact O-N 3.13Å; V94-V97 PolarHBondContact O-N 2.66Å; V95-V97 VanDerWaalsContact C-N 3.33Å; V95-V97 PolarHBondContact O-N 3.37Å; V97-A100 PolarHBondContact O-N 3.45Å; V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.33Å; V97-I101 WeakPolarHBondContact O-CG1 3.34Å; V97-I101 PolarHBondContact O-N 3.43Å |
| 98 | V | 90.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.4 | 165.8 | 0 | 0 | 0 | 0 | 111.1 | L63 V66 V94 V95 G102 T145 F148 | L63-V98 HydrophobicContact CD2-CB 4.37Å; L63-V98 HydrophobicContact CD2-CG1 4.1Å; L63-V98 HydrophobicContact CD2-CG2 4.23Å; V66-V98 HydrophobicContact CG1-CG2 3.75Å; V94-V98 HydrophobicContact CG1-CG2 4.03Å; V94-V98 WeakPolarHBondContact O-CB 3.45Å; V94-V98 VanDerWaalsContact O-CG2 3.22Å; V94-V98 WeakPolarHBondContact O-CG2 3.34Å; V94-V98 PolarHBondContact O-N 3.36Å; V95-V98 PolarHBondContact O-N 2.82Å; V98-G102 VanDerWaalsContact O-CA 3.27Å; V98-G102 WeakPolarHBondContact O-CA 3.26Å; V98-G102 PolarHBondContact O-N 3.19Å; V98-T145 HydrophobicContact CG1-CG2 3.62Å; V98-F148 HydrophobicContact CG1-CD1 3.82Å; V98-F148 HydrophobicContact CG1-CE1 3.95Å; V98-F148 HydrophobicContact CG2-CE1 4.08Å |
| 99 | I | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 177.1 | -64.2 | 165.1 | 0 | 0 | 0 | 110.2 | V95 E96 C103 D104 F116 W121 L149 F166 C169 | V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.27Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.42Å; V95-I99 PolarHBondContact O-N 3.14Å; E96-I99 PolarHBondContact O-N 3.36Å; I99-C103 HydrophobicContact CG2-CB 4.35Å; I99-C103 WeakPolarHBondContact O-CA 3.38Å; I99-C103 VanDerWaalsContact O-CB 3.26Å; I99-C103 WeakPolarHBondContact O-CB 3.22Å; I99-C103 PolarHBondContact O-N 3.04Å; I99-D104 PolarHBondContact O-N 3.02Å; I99-F116 HydrophobicContact CG2-CD1 4.18Å; I99-F116 HydrophobicContact CG2-CE1 4.38Å; I99-W121 HydrophobicContact CB-CH2 3.95Å; I99-W121 HydrophobicContact CB-CZ3 4.38Å; I99-W121 HydrophobicContact CG2-CH2 3.4Å; I99-W121 HydrophobicContact CG2-CZ2 3.74Å; I99-W121 HydrophobicContact CG2-CZ3 4.29Å; I99-L149 HydrophobicContact CD1-CD2 4.48Å; I99-L149 HydrophobicContact CG1-CD1 4.01Å; I99-L149 HydrophobicContact CG1-CD2 4.13Å; I99-F166 HydrophobicContact CD1-CB 4.06Å; I99-F166 HydrophobicContact CD1-CD1 3.84Å; I99-F166 HydrophobicContact CD1-CG 4.07Å; I99-C169 HydrophobicContact CD1-CB 3.9Å; I99-C169 HydrophobicContact CG2-CB 4.18Å |
| 100 | A | 88.2 | Confident | 86.6 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -50.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E96 V97 D104 L105 W121 L124 | E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.25Å; V97-A100 PolarHBondContact O-N 3.45Å; A100-D104 WeakPolarHBondContact O-CB 3.43Å; A100-D104 PolarHBondContact O-N 3.35Å; A100-L105 WeakPolarHBondContact O-CG 3.42Å; A100-L105 PolarHBondContact O-N 3.05Å; A100-W121 HydrophobicContact CB-CB 4.12Å; A100-W121 HydrophobicContact CB-CD2 3.72Å; A100-W121 HydrophobicContact CB-CE3 4.29Å; A100-W121 HydrophobicContact CB-CG 3.61Å; A100-L124 HydrophobicContact CB-CD1 3.55Å |
| 101 | I | 87.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -78.5 | -39.6 | -176.8 | -60.9 | 177 | 0 | 0 | 0 | 111.7 | L31 L35 R59 F62 V97 L124 | L31-I101 HydrophobicContact CD1-CD1 4.28Å; L31-I101 HydrophobicContact CD2-CG1 4.44Å; L35-I101 HydrophobicContact CD1-CD1 4.39Å; L35-I101 HydrophobicContact CD1-CG2 4.44Å; L35-I101 HydrophobicContact CD2-CD1 3.96Å; R59-I101 HydrophobicContact CB-CG2 4.04Å; R59-I101 HydrophobicContact CG-CG2 4.17Å; F62-I101 HydrophobicContact CD1-CD1 4.24Å; F62-I101 HydrophobicContact CE1-CD1 3.81Å; F62-I101 HydrophobicContact CZ-CD1 4.38Å; V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.33Å; V97-I101 WeakPolarHBondContact O-CG1 3.34Å; V97-I101 PolarHBondContact O-N 3.43Å; I101-L124 HydrophobicContact CG1-CD1 4.23Å |
| 102 | G | 86.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -78.4 | -38.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | V98 S106 T145 | V98-G102 VanDerWaalsContact O-CA 3.27Å; V98-G102 WeakPolarHBondContact O-CA 3.26Å; V98-G102 PolarHBondContact O-N 3.19Å; G102-S106 PolarHBondContact O-OG 3.13Å; G102-T145 WeakPolarHBondContact CA-OG1 3.44Å |
| 103 | C | 86.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -55.3 | -173.1 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | I99 L105 S106 F116 L142 T145 V173 | I99-C103 HydrophobicContact CG2-CB 4.35Å; I99-C103 WeakPolarHBondContact O-CA 3.38Å; I99-C103 VanDerWaalsContact O-CB 3.26Å; I99-C103 WeakPolarHBondContact O-CB 3.22Å; I99-C103 PolarHBondContact O-N 3.04Å; C103-L105 PolarHBondContact O-N 3.35Å; C103-S106 PolarHBondContact O-N 3.4Å; C103-S106 VanDerWaalsContact O-N 3.13Å; C103-F116 HydrophobicContact CB-CE1 4.11Å; C103-F116 HydrophobicContact CB-CE2 3.95Å; C103-F116 HydrophobicContact CB-CZ 3.45Å; C103-F116 VanDerWaalsContact CB-CZ 3.45Å; C103-L142 HydrophobicContact CB-CD2 4.26Å; C103-L142 HydrophobicContact CB-CG 4.48Å; C103-T145 VanDerWaalsContact SG-CG2 3.56Å; C103-V173 HydrophobicContact CB-CG2 4.33Å |
| 104 | D | 84.8 | Confident | 85.6 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -63.1 | -44.8 | -169.6 | -170.7 | 55 | 0 | 0 | 0 | 113 | I99 A100 S106 L107 S112 F116 W121 R131 | I99-D104 PolarHBondContact O-N 3.02Å; A100-D104 WeakPolarHBondContact O-CB 3.43Å; A100-D104 PolarHBondContact O-N 3.35Å; D104-S106 PolarHBondContact O-N 3.19Å; D104-L107 PolarHBondContact O-N 2.85Å; D104-S112 WeakPolarHBondContact OD1-CB 3.46Å; D104-S112 PolarHBondContact OD1-OG 3.3Å; D104-F116 HydrophobicContact CB-CD2 4.15Å; D104-F116 HydrophobicContact CB-CE2 4.25Å; D104-W121 HydrophobicContact CB-CZ2 4.43Å; D104-W121 VanDerWaalsContact CG-NE1 3.32Å; D104-W121 PolarHBondContact OD2-NE1 2.92Å; D104-R131 PolarHBondContact O-NH1 3.33Å |
| 105 | L | 84.7 | Confident | 85.2 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -73.8 | -9.8 | 178.6 | -63.7 | 178.7 | 0 | 0 | 0 | 114.4 | L31 A100 C103 C129 R131 E132 | L31-L105 HydrophobicContact CD2-CD1 3.33Å; A100-L105 WeakPolarHBondContact O-CG 3.42Å; A100-L105 PolarHBondContact O-N 3.05Å; C103-L105 PolarHBondContact O-N 3.35Å; L105-C129 HydrophobicContact CD1-CB 4.17Å; L105-C129 HydrophobicContact CD2-CB 3.72Å; L105-R131 HydrophobicContact CD2-CG 4.4Å; L105-E132 PolarHBondContact O-N 3.49Å; L105-E132 VanDerWaalsContact O-N 3.12Å |
| 106 | S | 82.7 | Confident | 85 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -97.6 | 0.7 | -179 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | G102 C103 D104 R141 | G102-S106 PolarHBondContact O-OG 3.13Å; C103-S106 PolarHBondContact O-N 3.4Å; C103-S106 VanDerWaalsContact O-N 3.13Å; D104-S106 PolarHBondContact O-N 3.19Å; S106-R141 PolarHBondContact OG-NH1 3.09Å |
| 107 | L | 81.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -121.2 | 166.1 | -178 | -74.4 | 160.5 | 0 | 0 | 0 | 111.7 | D104 I111 L115 F116 R131 L142 | D104-L107 PolarHBondContact O-N 2.85Å; L107-I111 HydrophobicContact CD2-CG2 4.44Å; L107-L115 HydrophobicContact CD1-CD1 3.78Å; L107-F116 HydrophobicContact CD1-CE2 3.74Å; L107-F116 HydrophobicContact CD1-CZ 3.81Å; L107-R131 PolarHBondContact O-NH1 3.34Å; L107-L142 HydrophobicContact CD1-CD1 3.87Å; L107-L142 HydrophobicContact CD1-CD2 4.45Å; L107-L142 HydrophobicContact CD2-CD1 3.86Å; L107-L142 HydrophobicContact CG-CD1 3.54Å |
| 108 | E | 79.8 | Confident | 83.7 | Confident | 129 Ų | 129 | 31.9 Ų | 31.9 | 60% | 0.603 | 16% | 0.163 | S | C | * | . | trans | -65.2 | 147.6 | 167.4 | -94.3 | -165 | 154.9 | 0 | 0 | 111.9 | K110 I111 S112 R131 | E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.46Å; E108-I111 HydrophobicContact CB-CB 4.44Å; E108-I111 HydrophobicContact CB-CD1 4.3Å; E108-I111 HydrophobicContact CB-CG1 4.33Å; E108-I111 PolarHBondContact O-N 2.8Å; E108-I111 VanDerWaalsContact O-N 3.14Å; E108-S112 WeakPolarHBondContact O-CB 3.31Å; E108-S112 PolarHBondContact O-N 2.9Å; E108-R131 PolarHBondContact O-NH1 3.01Å | ||
| 109 | P | 80.2 | Confident | 82.5 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 47% | 0.474 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -42 | -175.1 | -20.6 | 27.3 | 0 | 0 | 0 | 114.7 | K113 R131 | P109-K113 VanDerWaalsContact O-CB 3.25Å; P109-K113 WeakPolarHBondContact O-CB 3.44Å; P109-K113 PolarHBondContact O-N 2.64Å; P109-R131 VanDerWaalsContact CA-CZ 3.4Å |
| 110 | K | 82.1 | Confident | 81.5 | Confident | 147 Ų | 147 | 44.9 Ų | 44.9 | 64% | 0.639 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.5 | -43.9 | 179.4 | -78.2 | -174.5 | 177.5 | -179.5 | 0 | 111.5 | E108 A114 V217 | E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.46Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.93Å; K110-A114 VanDerWaalsContact O-N 3.09Å; K110-V217 HydrophobicContact CB-CG1 3.78Å; K110-V217 HydrophobicContact CD-CG1 4.33Å; K110-V217 HydrophobicContact CG-CG1 4.42Å |
| 111 | I | 83.1 | Confident | 81 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.1 | -42.8 | -178.9 | -60 | 178.7 | 0 | 0 | 0 | 110.4 | L107 E108 A114 L115 | L107-I111 HydrophobicContact CD2-CG2 4.44Å; E108-I111 HydrophobicContact CB-CB 4.44Å; E108-I111 HydrophobicContact CB-CD1 4.3Å; E108-I111 HydrophobicContact CB-CG1 4.33Å; E108-I111 PolarHBondContact O-N 2.8Å; E108-I111 VanDerWaalsContact O-N 3.14Å; I111-A114 WeakPolarHBondContact O-CB 3.44Å; I111-A114 PolarHBondContact O-N 3.18Å; I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.2Å; I111-L115 WeakPolarHBondContact O-CB 3.17Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.86Å |
| 112 | S | 85.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -180 | 96 | 0 | 0 | 0 | 0 | 111.4 | D104 E108 A114 L115 F116 R131 | D104-S112 WeakPolarHBondContact OD1-CB 3.46Å; D104-S112 PolarHBondContact OD1-OG 3.3Å; E108-S112 WeakPolarHBondContact O-CB 3.31Å; E108-S112 PolarHBondContact O-N 2.9Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 3.28Å; S112-L115 PolarHBondContact O-N 3.44Å; S112-F116 WeakPolarHBondContact O-CD2 3.36Å; S112-F116 PolarHBondContact O-N 3.01Å; S112-R131 PolarHBondContact OG-NH1 3.28Å |
| 113 | K | 82.9 | Confident | 79.4 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 170.7 | 180 | 176.3 | 175.8 | 142.6 | 0 | 112.1 | P109 G117 D119 | P109-K113 VanDerWaalsContact O-CB 3.25Å; P109-K113 WeakPolarHBondContact O-CB 3.44Å; P109-K113 PolarHBondContact O-N 2.64Å; K113-G117 VanDerWaalsContact O-CA 3.24Å; K113-G117 WeakPolarHBondContact O-CA 3.49Å; K113-G117 PolarHBondContact O-N 3.46Å; K113-D119 WeakPolarHBondContact CD-OD1 3.46Å; K113-D119 WeakPolarHBondContact CE-OD1 3.25Å; K113-D119 WeakPolarHBondContact CG-OD1 3Å; K113-D119 IonicContact NZ-OD1 3.27Å; K113-D119 PolarHBondContact NZ-OD1 3.42Å; K113-D119 IonicContact NZ-OD2 3.03Å; K113-D119 PolarHBondContact NZ-OD2 3.27Å |
| 114 | A | 83.2 | Confident | 78.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K110 I111 S112 L210 R213 L214 V217 | K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.93Å; K110-A114 VanDerWaalsContact O-N 3.09Å; I111-A114 WeakPolarHBondContact O-CB 3.44Å; I111-A114 PolarHBondContact O-N 3.18Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 3.28Å; A114-L210 WeakPolarHBondContact O-CD1 3.26Å; A114-R213 PolarHBondContact O-NE 2.94Å; A114-R213 PolarHBondContact O-NH2 3.01Å; A114-L214 HydrophobicContact CB-CD2 3.83Å; A114-V217 HydrophobicContact CB-CG2 3.81Å |
| 115 | L | 83.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | -177.7 | -78.6 | 176.2 | 0 | 0 | 0 | 112.3 | L107 I111 S112 G172 W176 L210 R213 L214 L225 | L107-L115 HydrophobicContact CD1-CD1 3.78Å; I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.2Å; I111-L115 WeakPolarHBondContact O-CB 3.17Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.86Å; S112-L115 PolarHBondContact O-N 3.44Å; L115-G172 VanDerWaalsContact CD2-O 3.32Å; L115-G172 WeakPolarHBondContact CD2-O 3.47Å; L115-W176 HydrophobicContact CD1-CB 4.1Å; L115-W176 HydrophobicContact CD1-CG 4.47Å; L115-L210 HydrophobicContact CD2-CD1 3.93Å; L115-L210 HydrophobicContact CD2-CD2 4.41Å; L115-R213 PolarHBondContact O-NH2 3.46Å; L115-L214 HydrophobicContact CD2-CD2 4.42Å; L115-L225 HydrophobicContact CD1-CD2 4.31Å; L115-L225 HydrophobicContact CD2-CD2 3.55Å; L115-L225 HydrophobicContact CG-CD2 4.09Å |
| 116 | F | 84.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -101 | -14.8 | -173.1 | -51.9 | -51.6 | 0 | 0 | 0 | 113.7 | I99 C103 D104 L107 S112 R118 W121 C169 V173 | I99-F116 HydrophobicContact CG2-CD1 4.18Å; I99-F116 HydrophobicContact CG2-CE1 4.38Å; C103-F116 HydrophobicContact CB-CE1 4.11Å; C103-F116 HydrophobicContact CB-CE2 3.95Å; C103-F116 HydrophobicContact CB-CZ 3.45Å; C103-F116 VanDerWaalsContact CB-CZ 3.45Å; D104-F116 HydrophobicContact CB-CD2 4.15Å; D104-F116 HydrophobicContact CB-CE2 4.25Å; L107-F116 HydrophobicContact CD1-CE2 3.74Å; L107-F116 HydrophobicContact CD1-CZ 3.81Å; S112-F116 WeakPolarHBondContact O-CD2 3.36Å; S112-F116 PolarHBondContact O-N 3.01Å; F116-R118 PolarHBondContact O-N 2.94Å; F116-R118 VanDerWaalsContact O-N 3.13Å; F116-W121 HydrophobicContact CB-CH2 4.47Å; F116-W121 HydrophobicContact CB-CZ2 4Å; F116-W121 HydrophobicContact CG-CZ2 4.28Å; F116-C169 HydrophobicContact CD1-CB 3.87Å; F116-V173 HydrophobicContact CE1-CG2 3.73Å; F116-V173 HydrophobicContact CZ-CG2 4.27Å |
| 117 | G | 76 | Confident | 76.9 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | trans | 66.2 | 10.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K113 | K113-G117 VanDerWaalsContact O-CA 3.24Å; K113-G117 WeakPolarHBondContact O-CA 3.49Å; K113-G117 PolarHBondContact O-N 3.46Å | ||
| 118 | R | 76.2 | Confident | 76.6 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | trans | -118.8 | 131.5 | -177.4 | -64.5 | -175.8 | -174.8 | -157.1 | 2.2 | 109.1 | F116 N165 | F116-R118 PolarHBondContact O-N 2.94Å; F116-R118 VanDerWaalsContact O-N 3.13Å; R118-N165 PolarHBondContact NH2-O 3.42Å | ||
| 119 | D | 64.1 | Low | 76.3 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -84.2 | -32.1 | 175.2 | -79 | -17.8 | 0 | 0 | 0 | 112.1 | K113 | K113-D119 WeakPolarHBondContact CD-OD1 3.46Å; K113-D119 WeakPolarHBondContact CE-OD1 3.25Å; K113-D119 WeakPolarHBondContact CG-OD1 3Å; K113-D119 IonicContact NZ-OD1 3.27Å; K113-D119 PolarHBondContact NZ-OD1 3.42Å; K113-D119 IonicContact NZ-OD2 3.03Å; K113-D119 PolarHBondContact NZ-OD2 3.27Å |
| 120 | K | 66.8 | Low | 75.8 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | trans | -142.7 | 142.7 | 179.6 | -68.2 | -173.5 | 178.6 | -177.4 | 0 | 110.4 | ||||
| 121 | W | 77.9 | Confident | 75.3 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | trans | -97.2 | 118.5 | 174.4 | -63.3 | 93.7 | 0 | 0 | 0 | 108.6 | E96 I99 A100 D104 F116 S123 L124 E125 | E96-W121 HydrophobicContact CG-CE3 3.52Å; E96-W121 HydrophobicContact CG-CZ3 3.92Å; I99-W121 HydrophobicContact CB-CH2 3.95Å; I99-W121 HydrophobicContact CB-CZ3 4.38Å; I99-W121 HydrophobicContact CG2-CH2 3.4Å; I99-W121 HydrophobicContact CG2-CZ2 3.74Å; I99-W121 HydrophobicContact CG2-CZ3 4.29Å; A100-W121 HydrophobicContact CB-CB 4.12Å; A100-W121 HydrophobicContact CB-CD2 3.72Å; A100-W121 HydrophobicContact CB-CE3 4.29Å; A100-W121 HydrophobicContact CB-CG 3.61Å; D104-W121 HydrophobicContact CB-CZ2 4.43Å; D104-W121 VanDerWaalsContact CG-NE1 3.32Å; D104-W121 PolarHBondContact OD2-NE1 2.92Å; F116-W121 HydrophobicContact CB-CH2 4.47Å; F116-W121 HydrophobicContact CB-CZ2 4Å; F116-W121 HydrophobicContact CG-CZ2 4.28Å; W121-S123 PolarHBondContact O-N 3.3Å; W121-L124 PolarHBondContact O-N 3.01Å; W121-E125 PolarHBondContact O-N 3.29Å | ||
| 122 | S | 70.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.6 | -176 | 70.3 | 0 | 0 | 0 | 0 | 112.8 | K93 E96 L124 | K93-S122 PolarHBondContact NZ-OG 2.87Å; E96-S122 PolarHBondContact OE1-N 3.23Å; E96-S122 VanDerWaalsContact OE1-N 3.13Å; E96-S122 PolarHBondContact OE1-OG 3.15Å; E96-S122 PolarHBondContact OE2-OG 3.23Å; S122-L124 VanDerWaalsContact C-N 3.33Å |
| 123 | S | 71 | Confident | 73.4 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.3 | 176.8 | -53.5 | 0 | 0 | 0 | 0 | 114.4 | F22 K93 E96 W121 | F22-S123 VanDerWaalsContact CB-O 3.26Å; F22-S123 WeakPolarHBondContact CB-O 3.16Å; F22-S123 WeakPolarHBondContact CD2-O 3.1Å; K93-S123 WeakPolarHBondContact CE-OG 3.37Å; K93-S123 PolarHBondContact NZ-OG 3Å; E96-S123 PolarHBondContact OE1-N 3.48Å; E96-S123 PolarHBondContact OE1-OG 3.27Å; E96-S123 PolarHBondContact OE2-OG 3.2Å; W121-S123 PolarHBondContact O-N 3.3Å |
| 124 | L | 74.6 | Confident | 72.5 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 8.6 | -169.8 | -63.8 | 176.8 | 0 | 0 | 0 | 113.5 | F22 L31 A100 I101 W121 S122 N126 I127 | F22-L124 HydrophobicContact CD2-CD2 3.84Å; F22-L124 HydrophobicContact CE2-CD2 3.85Å; F22-L124 HydrophobicContact CG-CD2 4.31Å; F22-L124 HydrophobicContact CZ-CD2 4.32Å; L31-L124 HydrophobicContact CD1-CD2 4.21Å; A100-L124 HydrophobicContact CB-CD1 3.55Å; I101-L124 HydrophobicContact CG1-CD1 4.23Å; W121-L124 PolarHBondContact O-N 3.01Å; S122-L124 VanDerWaalsContact C-N 3.33Å; L124-N126 PolarHBondContact O-N 3.11Å; L124-I127 HydrophobicContact CD2-CD1 3.99Å; L124-I127 PolarHBondContact O-N 3.22Å |
| 125 | E | 69.2 | Low | 71.6 | Confident | 130 Ų | 130 | 74.9 Ų | 74.9 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32 | -172.7 | -82.7 | -170.8 | 142.2 | 0 | 0 | 114.9 | W121 | W121-E125 PolarHBondContact O-N 3.29Š|
| 126 | N | 70.1 | Confident | 71.1 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.5 | -176.4 | -65 | -16.9 | 0 | 0 | 0 | 113.9 | A27 G28 L124 | A27-N126 WeakPolarHBondContact CA-O 3.45Å; G28-N126 PolarHBondContact N-O 2.83Å; L124-N126 PolarHBondContact O-N 3.11Å |
| 127 | I | 72.9 | Confident | 70.7 | Confident | 15 Ų | 15 | 81.2 Ų | 81.2 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -104.7 | 136.8 | -169.3 | -59.3 | -177 | 0 | 0 | 0 | 110.5 | F22 V25 L31 V34 L124 C129 | F22-I127 HydrophobicContact CB-CD1 3.74Å; F22-I127 HydrophobicContact CD1-CD1 3.36Å; F22-I127 HydrophobicContact CD2-CD1 4.49Å; F22-I127 HydrophobicContact CE1-CD1 4.08Å; F22-I127 HydrophobicContact CG-CD1 3.61Å; V25-I127 HydrophobicContact CB-CD1 4.46Å; V25-I127 HydrophobicContact CB-CG1 4.38Å; V25-I127 HydrophobicContact CG1-CD1 4.27Å; V25-I127 HydrophobicContact CG1-CG1 4Å; V25-I127 HydrophobicContact CG2-CD1 4.42Å; L31-I127 HydrophobicContact CB-CG2 3.81Å; L31-I127 HydrophobicContact CD1-CG2 3.92Å; L31-I127 HydrophobicContact CG-CG2 4.5Å; V34-I127 HydrophobicContact CG1-CD1 4.49Å; L124-I127 HydrophobicContact CD2-CD1 3.99Å; L124-I127 PolarHBondContact O-N 3.22Å; I127-C129 PolarHBondContact O-N 3.45Å |
| 128 | Q | 74.4 | Confident | 70.6 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 105.3 | 173.5 | -151.3 | 179.2 | 13.9 | 0 | 0 | 109.1 | G28 Q29 L31 | G28-Q128 PolarHBondContact O-OE1 3.28Å; Q29-Q128 PolarHBondContact O-N 3.28Å; L31-Q128 PolarHBondContact N-O 3.26Å |
| 129 | C | 73.9 | Confident | 70.7 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 31% | 0.311 | 40% | 0.398 | S | S | . | . | trans | -99.7 | 112.9 | -176.8 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L105 I127 | L105-C129 HydrophobicContact CD1-CB 4.17Å; L105-C129 HydrophobicContact CD2-CB 3.72Å; I127-C129 PolarHBondContact O-N 3.45Å | ||
| 130 | E | 69.7 | Low | 71.5 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 131.2 | 170.6 | -68.6 | -173 | 176.2 | 0 | 0 | 110.8 | Q30 R59 | Q30-E130 PolarHBondContact NE2-OE1 3.22Å; R59-E130 VanDerWaalsContact CZ-O 3.25Å; R59-E130 PolarHBondContact NH1-O 3.46Å; R59-E130 PolarHBondContact NH2-O 3.38Å |
| 131 | R | 72 | Confident | 72.3 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.5 | 174.7 | -72.4 | -171 | -175.4 | -120.2 | -3.9 | 110.3 | D104 L105 L107 E108 P109 S112 Q133 | D104-R131 PolarHBondContact O-NH1 3.33Å; L105-R131 HydrophobicContact CD2-CG 4.4Å; L107-R131 PolarHBondContact O-NH1 3.34Å; E108-R131 PolarHBondContact O-NH1 3.01Å; P109-R131 VanDerWaalsContact CA-CZ 3.4Å; S112-R131 PolarHBondContact OG-NH1 3.28Å; R131-Q133 PolarHBondContact O-N 3.48Å |
| 132 | E | 68.3 | Low | 72.5 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -83 | 122.4 | -177.3 | -156.2 | 157.2 | -115.3 | 0 | 0 | 111.4 | N57 L105 R141 | N57-E132 PolarHBondContact ND2-OE1 3.44Å; L105-E132 PolarHBondContact O-N 3.49Å; L105-E132 VanDerWaalsContact O-N 3.12Å; E132-R141 VanDerWaalsContact CD-NH1 3.33Å; E132-R141 IonicContact OE1-CZ 3.54Å; E132-R141 IonicContact OE1-NH1 3.55Å; E132-R141 IonicContact OE1-NH2 2.77Å; E132-R141 PolarHBondContact OE1-NH2 3.39Å; E132-R141 IonicContact OE2-CZ 3.56Å; E132-R141 IonicContact OE2-NE 2.72Å; E132-R141 IonicContact OE2-NH1 3.54Å; E132-R141 PolarHBondContact OE2-NH1 3.04Å; E132-R141 IonicContact OE2-NH2 2.88Å; E132-R141 PolarHBondContact OE2-NH2 3.27Å |
| 133 | Q | 60.4 | Low | 73 | Confident | 192 Ų | 192 | 70 Ų | 70 | 90% | 0.897 | 35% | 0.349 | S | S | * | . | trans | -91.6 | -12.6 | -170.8 | -62.4 | -175.4 | -3.1 | 0 | 0 | 113.8 | R131 E135 | R131-Q133 PolarHBondContact O-N 3.48Å; Q133-E135 PolarHBondContact O-N 3.3Å | ||
| 134 | L | 62.2 | Low | 73.6 | Confident | 116 Ų | 116 | 72.2 Ų | 72.2 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | trans | -89.7 | 105.4 | -177.9 | -87.5 | 148.3 | 0 | 0 | 0 | 110.9 | P136 V137 A138 | L134-P136 VanDerWaalsContact C-CD 3.44Å; L134-V137 HydrophobicContact CB-CB 4.41Å; L134-V137 HydrophobicContact CB-CG2 4.28Å; L134-V137 PolarHBondContact O-N 3.04Å; L134-A138 PolarHBondContact O-N 3.48Å; L134-A138 VanDerWaalsContact O-N 3.08Å | ||
| 135 | E | 65 | Low | 74.1 | Confident | 164 Ų | 164 | 71.5 Ų | 71.5 | 77% | 0.766 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -46.7 | -44.2 | -179.6 | -87.7 | -158 | 152.7 | 0 | 0 | 115.8 | Q133 T139 | Q133-E135 PolarHBondContact O-N 3.3Å; E135-T139 VanDerWaalsContact O-CB 3.31Å; E135-T139 WeakPolarHBondContact O-CB 3.43Å; E135-T139 PolarHBondContact O-N 3.21Å; E135-T139 VanDerWaalsContact O-N 3.12Å; E135-T139 PolarHBondContact O-OG1 2.8Å |
| 136 | P | 74.3 | Confident | 74.8 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | -177.5 | 23.9 | -31.2 | 0 | 0 | 0 | 112.4 | L134 T139 E140 | L134-P136 VanDerWaalsContact C-CD 3.44Å; P136-T139 PolarHBondContact O-N 2.97Å; P136-E140 PolarHBondContact O-N 3.41Å |
| 137 | V | 74.9 | Confident | 75.3 | Confident | 49 Ų | 49 | 67 Ų | 67 | 30% | 0.297 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.5 | -42.6 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | L134 T139 E140 R141 | L134-V137 HydrophobicContact CB-CB 4.41Å; L134-V137 HydrophobicContact CB-CG2 4.28Å; L134-V137 PolarHBondContact O-N 3.04Å; V137-T139 VanDerWaalsContact C-N 3.3Å; V137-T139 PolarHBondContact O-N 3.42Å; V137-E140 PolarHBondContact O-N 3.04Å; V137-R141 WeakPolarHBondContact O-CB 3.42Å; V137-R141 PolarHBondContact O-N 2.85Å |
| 138 | A | 75.2 | Confident | 75.9 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L134 R141 L142 | L134-A138 PolarHBondContact O-N 3.48Å; L134-A138 VanDerWaalsContact O-N 3.08Å; A138-R141 PolarHBondContact O-N 2.66Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 PolarHBondContact O-N 3.34Å |
| 139 | T | 77.7 | Confident | 76.4 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | E135 P136 V137 R141 L142 Q143 W176 V180 | E135-T139 VanDerWaalsContact O-CB 3.31Å; E135-T139 WeakPolarHBondContact O-CB 3.43Å; E135-T139 PolarHBondContact O-N 3.21Å; E135-T139 VanDerWaalsContact O-N 3.12Å; E135-T139 PolarHBondContact O-OG1 2.8Å; P136-T139 PolarHBondContact O-N 2.97Å; V137-T139 VanDerWaalsContact C-N 3.3Å; V137-T139 PolarHBondContact O-N 3.42Å; T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 2.77Å; T139-L142 PolarHBondContact O-N 2.51Å; T139-Q143 WeakPolarHBondContact O-CG 3.49Å; T139-Q143 PolarHBondContact O-N 3.3Å; T139-W176 HydrophobicContact CG2-CH2 3.79Å; T139-W176 HydrophobicContact CG2-CZ2 4.38Å; T139-V180 HydrophobicContact CG2-CG1 3.69Å |
| 140 | E | 80.2 | Confident | 76.6 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 64% | 0.64 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 176.4 | -81.2 | -170.1 | 157.8 | 0 | 0 | 112.1 | P136 V137 Q143 Y144 | P136-E140 PolarHBondContact O-N 3.41Å; V137-E140 PolarHBondContact O-N 3.04Å; E140-Q143 PolarHBondContact O-N 2.92Å; E140-Y144 WeakPolarHBondContact O-CB 3.31Å; E140-Y144 PolarHBondContact O-N 3.13Å |
| 141 | R | 85 | Confident | 77.2 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 175.9 | -172.6 | -176.9 | -59.8 | 136.7 | 5.6 | 110.9 | N57 L63 S106 E132 V137 A138 T139 Q143 Y144 T145 | N57-R141 VanDerWaalsContact CG-NH2 3.3Å; N57-R141 PolarHBondContact ND2-NH2 3.03Å; N57-R141 PolarHBondContact OD1-NH2 3.39Å; L63-R141 HydrophobicContact CD1-CG 3.67Å; S106-R141 PolarHBondContact OG-NH1 3.09Å; E132-R141 VanDerWaalsContact CD-NH1 3.33Å; E132-R141 IonicContact OE1-CZ 3.54Å; E132-R141 IonicContact OE1-NH1 3.55Å; E132-R141 IonicContact OE1-NH2 2.77Å; E132-R141 PolarHBondContact OE1-NH2 3.39Å; E132-R141 IonicContact OE2-CZ 3.56Å; E132-R141 IonicContact OE2-NE 2.72Å; E132-R141 IonicContact OE2-NH1 3.54Å; E132-R141 PolarHBondContact OE2-NH1 3.04Å; E132-R141 IonicContact OE2-NH2 2.88Å; E132-R141 PolarHBondContact OE2-NH2 3.27Å; V137-R141 WeakPolarHBondContact O-CB 3.42Å; V137-R141 PolarHBondContact O-N 2.85Å; A138-R141 PolarHBondContact O-N 2.66Å; T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 2.77Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 2.91Å; R141-Y144 WeakPolarHBondContact O-CB 3.41Å; R141-Y144 PolarHBondContact O-N 2.83Å; R141-Y144 VanDerWaalsContact O-N 3.15Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3Å |
| 142 | L | 81.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 179 | -118.3 | 142.4 | 0 | 0 | 0 | 112.4 | C103 L107 A138 T139 G146 V173 W176 | C103-L142 HydrophobicContact CB-CD2 4.26Å; C103-L142 HydrophobicContact CB-CG 4.48Å; L107-L142 HydrophobicContact CD1-CD1 3.87Å; L107-L142 HydrophobicContact CD1-CD2 4.45Å; L107-L142 HydrophobicContact CD2-CD1 3.86Å; L107-L142 HydrophobicContact CG-CD1 3.54Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 PolarHBondContact O-N 3.34Å; T139-L142 PolarHBondContact O-N 2.51Å; L142-G146 WeakPolarHBondContact O-CA 3.49Å; L142-G146 PolarHBondContact O-N 3.38Å; L142-V173 HydrophobicContact CD2-CG1 4.41Å; L142-W176 HydrophobicContact CB-CE3 4.29Å; L142-W176 HydrophobicContact CB-CH2 3.55Å; L142-W176 HydrophobicContact CB-CZ2 4.29Å; L142-W176 HydrophobicContact CB-CZ3 3.58Å; L142-W176 HydrophobicContact CD1-CH2 4.14Å; L142-W176 HydrophobicContact CD1-CZ2 4.01Å; L142-W176 HydrophobicContact CD2-CD2 4.01Å; L142-W176 HydrophobicContact CD2-CE3 3.69Å; L142-W176 HydrophobicContact CD2-CH2 4.33Å; L142-W176 HydrophobicContact CD2-CZ3 3.89Å; L142-W176 HydrophobicContact CG-CE3 4.43Å; L142-W176 HydrophobicContact CG-CH2 4.19Å; L142-W176 HydrophobicContact CG-CZ3 4.18Å |
| 143 | Q | 80.5 | Confident | 78.4 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.4 | -72.7 | 174.8 | 12.8 | 0 | 0 | 112.1 | T139 E140 R141 G146 R147 W176 L177 Q181 | T139-Q143 WeakPolarHBondContact O-CG 3.49Å; T139-Q143 PolarHBondContact O-N 3.3Å; E140-Q143 PolarHBondContact O-N 2.92Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 2.91Å; Q143-G146 PolarHBondContact O-N 3.39Å; Q143-R147 WeakPolarHBondContact O-CB 3.25Å; Q143-R147 WeakPolarHBondContact O-CG 3.39Å; Q143-R147 PolarHBondContact O-N 3.49Å; Q143-W176 HydrophobicContact CG-CZ3 4.38Å; Q143-L177 HydrophobicContact CB-CD2 4.43Å; Q143-L177 HydrophobicContact CG-CD2 3.86Å; Q143-Q181 VanDerWaalsContact CD-NE2 3.26Å; Q143-Q181 VanDerWaalsContact OE1-NE2 3.08Å |
| 144 | Y | 83.9 | Confident | 79.2 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 177.7 | 178.8 | -92 | 0 | 0 | 0 | 111.9 | L63 K64 K67 E140 R141 F148 | L63-Y144 HydrophobicContact CB-CD1 4.42Å; L63-Y144 HydrophobicContact CB-CE1 4.02Å; K64-Y144 WeakPolarHBondContact CA-OH 3.39Å; K64-Y144 HydrophobicContact CG-CE1 4.33Å; K64-Y144 HydrophobicContact CG-CE2 4.28Å; K64-Y144 VanDerWaalsContact CG-OH 3.3Å; K64-Y144 WeakPolarHBondContact CG-OH 3.49Å; K67-Y144 HydrophobicContact CD-CE2 4.42Å; K67-Y144 WeakPolarHBondContact CD-OH 3.45Å; E140-Y144 WeakPolarHBondContact O-CB 3.31Å; E140-Y144 PolarHBondContact O-N 3.13Å; R141-Y144 WeakPolarHBondContact O-CB 3.41Å; R141-Y144 PolarHBondContact O-N 2.83Å; R141-Y144 VanDerWaalsContact O-N 3.15Å; Y144-F148 PolarHBondContact O-N 3.22Å |
| 145 | T | 86 | Confident | 80.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | V98 G102 C103 R141 F148 L149 | V98-T145 HydrophobicContact CG1-CG2 3.62Å; G102-T145 WeakPolarHBondContact CA-OG1 3.44Å; C103-T145 VanDerWaalsContact SG-CG2 3.56Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3Å; T145-F148 WeakPolarHBondContact O-CB 3.39Å; T145-F148 PolarHBondContact O-N 3.08Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 3.45Å |
| 146 | G | 82.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55 | -56.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L142 Q143 F148 L149 I150 | L142-G146 WeakPolarHBondContact O-CA 3.49Å; L142-G146 PolarHBondContact O-N 3.38Å; Q143-G146 PolarHBondContact O-N 3.39Å; G146-F148 PolarHBondContact O-N 3.26Å; G146-L149 WeakPolarHBondContact O-CB 3.45Å; G146-L149 PolarHBondContact O-N 3.18Å; G146-I150 WeakPolarHBondContact O-CG1 3.14Å; G146-I150 PolarHBondContact O-N 3.36Å |
| 147 | R | 80.3 | Confident | 80.9 | Confident | 113 Ų | 113 | 44.3 Ų | 44.3 | 43% | 0.426 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.4 | -35.8 | 176.3 | -74.6 | 180 | 178.9 | 175.5 | 1.2 | 113.2 | Q143 K151 D184 | Q143-R147 WeakPolarHBondContact O-CB 3.25Å; Q143-R147 WeakPolarHBondContact O-CG 3.39Å; Q143-R147 PolarHBondContact O-N 3.49Å; R147-K151 PolarHBondContact O-N 3.36Å; R147-D184 IonicContact CZ-OD2 2.75Å; R147-D184 IonicContact NH2-OD2 3.77Å; R147-D184 PolarHBondContact NH2-OD2 3.18Å |
| 148 | F | 85.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -43.4 | 175.8 | 174.7 | -131.3 | 0 | 0 | 0 | 112.2 | K67 I70 V98 Y144 T145 G146 I150 K151 L152 | K67-F148 HydrophobicContact CB-CD2 4Å; K67-F148 HydrophobicContact CB-CE1 4.49Å; K67-F148 HydrophobicContact CB-CE2 3.85Å; K67-F148 HydrophobicContact CB-CG 4.38Å; K67-F148 HydrophobicContact CB-CZ 4.09Å; K67-F148 HydrophobicContact CD-CD2 4.04Å; K67-F148 HydrophobicContact CD-CG 4.44Å; K67-F148 HydrophobicContact CG-CD2 3.58Å; K67-F148 HydrophobicContact CG-CE2 3.68Å; K67-F148 HydrophobicContact CG-CG 4.28Å; K67-F148 HydrophobicContact CG-CZ 4.42Å; I70-F148 HydrophobicContact CB-CZ 4.31Å; I70-F148 HydrophobicContact CD1-CZ 3.75Å; I70-F148 HydrophobicContact CG2-CE2 4.32Å; I70-F148 HydrophobicContact CG2-CZ 4.34Å; V98-F148 HydrophobicContact CG1-CD1 3.82Å; V98-F148 HydrophobicContact CG1-CE1 3.95Å; V98-F148 HydrophobicContact CG2-CE1 4.08Å; Y144-F148 PolarHBondContact O-N 3.22Å; T145-F148 WeakPolarHBondContact O-CB 3.39Å; T145-F148 PolarHBondContact O-N 3.08Å; G146-F148 PolarHBondContact O-N 3.26Å; F148-I150 VanDerWaalsContact C-N 3.32Å; F148-I150 PolarHBondContact O-N 3.5Å; F148-K151 PolarHBondContact O-N 3.45Å; F148-L152 HydrophobicContact CD1-CD1 4.21Å; F148-L152 HydrophobicContact CD2-CD1 4.16Å; F148-L152 HydrophobicContact CE1-CD1 3.66Å; F148-L152 HydrophobicContact CE2-CD1 3.6Å; F148-L152 HydrophobicContact CE2-CG 4.01Å; F148-L152 HydrophobicContact CG-CD1 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.33Å; F148-L152 HydrophobicContact CZ-CG 4.19Å; F148-L152 PolarHBondContact O-N 2.99Å; F148-L152 VanDerWaalsContact O-N 3.11Å |
| 149 | L | 85.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 175.1 | -67.6 | 169.5 | 0 | 0 | 0 | 111.6 | V95 I99 T145 G146 K151 L152 V153 V173 | V95-L149 HydrophobicContact CG1-CD2 4.07Å; I99-L149 HydrophobicContact CD1-CD2 4.48Å; I99-L149 HydrophobicContact CG1-CD1 4.01Å; I99-L149 HydrophobicContact CG1-CD2 4.13Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 3.45Å; G146-L149 WeakPolarHBondContact O-CB 3.45Å; G146-L149 PolarHBondContact O-N 3.18Å; L149-K151 PolarHBondContact O-N 2.85Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.3Å; L149-V153 WeakPolarHBondContact O-CB 3.32Å; L149-V153 VanDerWaalsContact O-CG2 3.3Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.87Å; L149-V173 HydrophobicContact CD1-CG2 4.16Å |
| 150 | I | 77.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.2 | -51.5 | 174.8 | -43.4 | -165.4 | 0 | 0 | 0 | 110.4 | G146 F148 L152 V153 N154 F174 E190 L194 | G146-I150 WeakPolarHBondContact O-CG1 3.14Å; G146-I150 PolarHBondContact O-N 3.36Å; F148-I150 VanDerWaalsContact C-N 3.32Å; F148-I150 PolarHBondContact O-N 3.5Å; I150-L152 VanDerWaalsContact C-N 3.26Å; I150-L152 PolarHBondContact O-N 2.98Å; I150-V153 PolarHBondContact O-N 2.9Å; I150-N154 WeakPolarHBondContact O-CB 3.19Å; I150-N154 PolarHBondContact O-N 3.26Å; I150-F174 HydrophobicContact CB-CZ 4.15Å; I150-F174 HydrophobicContact CD1-CE1 3.33Å; I150-F174 HydrophobicContact CD1-CZ 3.51Å; I150-F174 HydrophobicContact CG1-CE1 3.74Å; I150-F174 HydrophobicContact CG1-CE2 4.34Å; I150-F174 HydrophobicContact CG1-CZ 3.34Å; I150-F174 HydrophobicContact CG2-CZ 4.17Å; I150-E190 HydrophobicContact CG2-CB 3.96Å; I150-L194 HydrophobicContact CG2-CD1 4.38Å |
| 151 | K | 81.5 | Confident | 81.6 | Confident | 124 Ų | 124 | 40 Ų | 40 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.5 | -34.8 | -179.3 | -77.7 | -168.4 | 175.1 | -166.9 | 0 | 113.2 | R147 F148 L149 | R147-K151 PolarHBondContact O-N 3.36Å; F148-K151 PolarHBondContact O-N 3.45Å; L149-K151 PolarHBondContact O-N 2.85Å |
| 152 | L | 84.9 | Confident | 81.6 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -45.6 | 176.5 | -97.2 | 162.7 | 0 | 0 | 0 | 111.8 | I70 M74 V95 F148 L149 I150 N154 Q155 L158 L162 | I70-L152 HydrophobicContact CD1-CD1 4.44Å; I70-L152 HydrophobicContact CG2-CD2 3.87Å; I70-L152 HydrophobicContact CG2-CG 4.4Å; M74-L152 HydrophobicContact CE-CD2 4.46Å; V95-L152 HydrophobicContact CG2-CD1 4.18Å; F148-L152 HydrophobicContact CD1-CD1 4.21Å; F148-L152 HydrophobicContact CD2-CD1 4.16Å; F148-L152 HydrophobicContact CE1-CD1 3.66Å; F148-L152 HydrophobicContact CE2-CD1 3.6Å; F148-L152 HydrophobicContact CE2-CG 4.01Å; F148-L152 HydrophobicContact CG-CD1 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.33Å; F148-L152 HydrophobicContact CZ-CG 4.19Å; F148-L152 PolarHBondContact O-N 2.99Å; F148-L152 VanDerWaalsContact O-N 3.11Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.3Å; I150-L152 VanDerWaalsContact C-N 3.26Å; I150-L152 PolarHBondContact O-N 2.98Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 2.95Å; L152-Q155 WeakPolarHBondContact O-CB 3.48Å; L152-Q155 PolarHBondContact O-N 3.24Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L152-L158 HydrophobicContact CD2-CD1 3.44Å; L152-L158 VanDerWaalsContact CD2-CD1 3.44Å; L152-L162 HydrophobicContact CB-CD1 4.09Å |
| 153 | V | 80.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.1 | -28.4 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | L149 I150 Q155 H159 L162 I170 L194 | L149-V153 WeakPolarHBondContact O-CB 3.32Å; L149-V153 VanDerWaalsContact O-CG2 3.3Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.87Å; I150-V153 PolarHBondContact O-N 2.9Å; V153-Q155 PolarHBondContact O-N 3.19Å; V153-H159 WeakPolarHBondContact CG1-ND1 3.2Å; V153-H159 WeakPolarHBondContact O-CB 3.44Å; V153-H159 PolarHBondContact O-ND1 3.24Å; V153-L162 HydrophobicContact CG2-CB 4.25Å; V153-L162 HydrophobicContact CG2-CD1 3.86Å; V153-I170 HydrophobicContact CG2-CD1 3.58Å; V153-I170 HydrophobicContact CG2-CG1 4.29Å; V153-I170 HydrophobicContact CG2-CG2 4.3Å; V153-L194 HydrophobicContact CB-CD1 4.24Å; V153-L194 HydrophobicContact CG1-CD1 3.71Å; V153-L194 HydrophobicContact CG1-CD2 3.71Å; V153-L194 HydrophobicContact CG1-CG 4.34Å |
| 154 | N | 78.1 | Confident | 81.8 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.4 | 170.9 | -80.3 | -15.9 | 0 | 0 | 0 | 114.1 | I150 L152 P156 L194 | I150-N154 WeakPolarHBondContact O-CB 3.19Å; I150-N154 PolarHBondContact O-N 3.26Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 2.95Å; N154-P156 WeakPolarHBondContact O-CD 3.18Å; N154-L194 WeakPolarHBondContact OD1-CD1 3.26Å; N154-L194 WeakPolarHBondContact OD1-CD2 3.49Å; N154-L194 WeakPolarHBondContact OD1-CG 3.34Å |
| 155 | Q | 81.4 | Confident | 81.9 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -84.3 | 113.6 | 172.6 | -62.8 | -62.6 | -44.9 | 0 | 0 | 109.4 | M74 L152 V153 K157 L158 H159 | M74-Q155 HydrophobicContact CE-CG 4.26Å; L152-Q155 WeakPolarHBondContact O-CB 3.48Å; L152-Q155 PolarHBondContact O-N 3.24Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; V153-Q155 PolarHBondContact O-N 3.19Å; Q155-K157 PolarHBondContact O-N 3.16Å; Q155-L158 HydrophobicContact CB-CB 4.35Å; Q155-L158 PolarHBondContact O-N 3.37Å; Q155-H159 PolarHBondContact O-N 3.08Å |
| 156 | P | 75.8 | Confident | 82 | Confident | 109 Ų | 109 | 46.2 Ų | 46.2 | 71% | 0.708 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.7 | -28.6 | -174.5 | 18.7 | -29.8 | 0 | 0 | 0 | 113.1 | N154 L158 | N154-P156 WeakPolarHBondContact O-CD 3.18Å; P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 3.3Å |
| 157 | K | 79.6 | Confident | 82 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 37% | 0.365 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.8 | -22.8 | 176.6 | -62.2 | -169.7 | -178.7 | -167.8 | 0 | 114.4 | S79 E81 I83 Q155 | S79-K157 PolarHBondContact O-NZ 2.84Å; E81-K157 PolarHBondContact O-NZ 3.11Å; I83-K157 HydrophobicContact CD1-CB 3.88Å; I83-K157 HydrophobicContact CG1-CD 4.44Å; Q155-K157 PolarHBondContact O-N 3.16Å |
| 158 | L | 82.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -107.3 | -21.7 | -179.6 | -75.9 | -177.2 | 0 | 0 | 0 | 113.1 | M74 I83 M88 L91 L152 Q155 P156 D160 E161 L162 | M74-L158 HydrophobicContact CE-CD1 3.12Å; M74-L158 HydrophobicContact CE-CG 3.82Å; I83-L158 HydrophobicContact CD1-CD2 3.84Å; I83-L158 HydrophobicContact CD1-CG 4.14Å; M88-L158 HydrophobicContact CE-CD2 3.88Å; M88-L158 HydrophobicContact SD-CD2 3.48Å; M88-L158 WeakPolarHBondContact SD-CD2 3.4Å; L91-L158 HydrophobicContact CD1-CD2 4.18Å; L152-L158 HydrophobicContact CD2-CD1 3.44Å; L152-L158 VanDerWaalsContact CD2-CD1 3.44Å; Q155-L158 HydrophobicContact CB-CB 4.35Å; Q155-L158 PolarHBondContact O-N 3.37Å; P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 3.3Å; L158-D160 PolarHBondContact O-N 3.1Å; L158-E161 PolarHBondContact O-N 3.45Å; L158-L162 HydrophobicContact CB-CD1 3.78Å; L158-L162 HydrophobicContact CB-CG 4.12Å; L158-L162 HydrophobicContact CD1-CD1 4.32Å; L158-L162 WeakPolarHBondContact O-CB 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.41Å |
| 159 | H | 79.5 | Confident | 82.1 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -48.1 | -57.5 | -169.5 | -178.1 | 73.6 | 0 | 0 | 0 | 113.4 | V153 Q155 E161 L162 M163 L194 S199 | V153-H159 WeakPolarHBondContact CG1-ND1 3.2Å; V153-H159 WeakPolarHBondContact O-CB 3.44Å; V153-H159 PolarHBondContact O-ND1 3.24Å; Q155-H159 PolarHBondContact O-N 3.08Å; H159-E161 PolarHBondContact O-N 3.18Å; H159-L162 PolarHBondContact O-N 3.35Å; H159-M163 WeakPolarHBondContact O-CB 3.39Å; H159-M163 WeakPolarHBondContact O-CG 3.32Å; H159-M163 PolarHBondContact O-N 2.81Å; H159-L194 VanDerWaalsContact CE1-CD2 3.42Å; H159-L194 WeakPolarHBondContact CE1-CD2 3.37Å; H159-L194 WeakPolarHBondContact ND1-CD2 3.38Å; H159-S199 PolarHBondContact CE1-OG 2.87Å; H159-S199 VanDerWaalsContact NE2-CB 3.29Å; H159-S199 WeakPolarHBondContact NE2-CB 3.39Å; H159-S199 PolarHBondContact NE2-OG 2.84Å |
| 160 | D | 76.9 | Confident | 82 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.8 | -41.6 | -177.8 | -76.7 | -18.7 | 0 | 0 | 0 | 112.8 | L158 M163 R164 | L158-D160 PolarHBondContact O-N 3.1Å; D160-M163 PolarHBondContact O-N 3.47Å; D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.44Å; D160-R164 PolarHBondContact O-N 2.76Å |
| 161 | E | 83.7 | Confident | 82.3 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72 | -35 | -176.9 | -159 | 58.8 | -147.1 | 0 | 0 | 111.1 | M88 L92 L158 H159 R164 N165 | M88-E161 HydrophobicContact CG-CG 4.08Å; M88-E161 HydrophobicContact SD-CB 4.3Å; M88-E161 HydrophobicContact SD-CG 4.09Å; L92-E161 HydrophobicContact CD1-CG 3.98Å; L92-E161 HydrophobicContact CD2-CG 4.12Å; L92-E161 HydrophobicContact CG-CG 4.49Å; L158-E161 PolarHBondContact O-N 3.45Å; H159-E161 PolarHBondContact O-N 3.18Å; E161-R164 IonicContact OE2-CZ 3.17Å; E161-R164 IonicContact OE2-NH1 3.2Å; E161-R164 PolarHBondContact OE2-NH1 2.95Å; E161-N165 WeakPolarHBondContact O-CB 3.35Å; E161-N165 PolarHBondContact O-N 2.89Å; E161-N165 VanDerWaalsContact O-N 3.1Å; E161-N165 PolarHBondContact O-ND2 3.22Å; E161-N165 PolarHBondContact OE1-ND2 2.9Å |
| 162 | L | 85.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.3 | -45.6 | 172.3 | -70.3 | 176.6 | 0 | 0 | 0 | 111.6 | L92 V95 L152 V153 L158 H159 R164 N165 F166 G167 I170 | L92-L162 HydrophobicContact CD2-CD2 4.18Å; V95-L162 HydrophobicContact CB-CD2 4.27Å; V95-L162 HydrophobicContact CG1-CD2 4.11Å; V95-L162 HydrophobicContact CG2-CD2 3.81Å; L152-L162 HydrophobicContact CB-CD1 4.09Å; V153-L162 HydrophobicContact CG2-CB 4.25Å; V153-L162 HydrophobicContact CG2-CD1 3.86Å; L158-L162 HydrophobicContact CB-CD1 3.78Å; L158-L162 HydrophobicContact CB-CG 4.12Å; L158-L162 HydrophobicContact CD1-CD1 4.32Å; L158-L162 WeakPolarHBondContact O-CB 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.41Å; H159-L162 PolarHBondContact O-N 3.35Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.16Å; L162-N165 PolarHBondContact O-N 3.46Å; L162-F166 HydrophobicContact CD2-CD2 4.29Å; L162-F166 CarbonylContact O-C 3.55Å; L162-F166 WeakPolarHBondContact O-CA 3.1Å; L162-F166 PolarHBondContact O-N 3.11Å; L162-G167 PolarHBondContact O-N 3.24Å; L162-I170 HydrophobicContact CB-CD1 4.2Å |
| 163 | M | 83.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -33.3 | 178.2 | -75.2 | -56.3 | -57.3 | 0 | 0 | 112.3 | H159 D160 G167 I170 L202 C203 | H159-M163 WeakPolarHBondContact O-CB 3.39Å; H159-M163 WeakPolarHBondContact O-CG 3.32Å; H159-M163 PolarHBondContact O-N 2.81Å; D160-M163 PolarHBondContact O-N 3.47Å; M163-G167 VanDerWaalsContact O-CA 3.26Å; M163-G167 WeakPolarHBondContact O-CA 2.98Å; M163-G167 PolarHBondContact O-N 2.87Å; M163-G167 VanDerWaalsContact O-N 3.15Å; M163-I170 HydrophobicContact SD-CD1 4.38Å; M163-L202 HydrophobicContact CB-CD1 4.3Å; M163-L202 HydrophobicContact CE-CB 4.49Å; M163-C203 HydrophobicContact CE-CB 4.38Å; M163-C203 WeakPolarHBondContact CE-SG 3.47Å |
| 164 | R | 83.1 | Confident | 82.3 | Confident | 160 Ų | 160 | 35.8 Ų | 35.8 | 60% | 0.604 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -70.5 | -42.1 | 176.2 | -168.8 | -177.9 | -65.3 | 150.1 | -1.5 | 112.9 | D160 E161 L162 | D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.44Å; D160-R164 PolarHBondContact O-N 2.76Å; E161-R164 IonicContact OE2-CZ 3.17Å; E161-R164 IonicContact OE2-NH1 3.2Å; E161-R164 PolarHBondContact OE2-NH1 2.95Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.16Å |
| 165 | N | 85.2 | Confident | 82.5 | Confident | 60 Ų | 60 | 32.9 Ų | 32.9 | 32% | 0.321 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -93.3 | -29.5 | -173.7 | -69.1 | -66 | 0 | 0 | 0 | 114.3 | L92 R118 E161 L162 | L92-N165 HydrophobicContact CD2-CB 4.25Å; R118-N165 PolarHBondContact NH2-O 3.42Å; E161-N165 WeakPolarHBondContact O-CB 3.35Å; E161-N165 PolarHBondContact O-N 2.89Å; E161-N165 VanDerWaalsContact O-N 3.1Å; E161-N165 PolarHBondContact O-ND2 3.22Å; E161-N165 PolarHBondContact OE1-ND2 2.9Å; L162-N165 PolarHBondContact O-N 3.46Å |
| 166 | F | 87.2 | Confident | 82.6 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -135.9 | 12.2 | -172 | -58.4 | -73.3 | 0 | 0 | 0 | 113.4 | L92 V95 E96 I99 L162 D168 C169 I170 | L92-F166 HydrophobicContact CB-CE2 4.16Å; L92-F166 HydrophobicContact CD2-CD2 4.27Å; L92-F166 HydrophobicContact CD2-CE2 3.82Å; L92-F166 WeakPolarHBondContact O-CE2 3.45Å; L92-F166 VanDerWaalsContact O-CZ 3.25Å; L92-F166 WeakPolarHBondContact O-CZ 3.39Å; V95-F166 HydrophobicContact CB-CD2 4.29Å; V95-F166 HydrophobicContact CB-CE2 4.09Å; V95-F166 HydrophobicContact CG1-CD1 4.5Å; V95-F166 HydrophobicContact CG1-CD2 3.7Å; V95-F166 HydrophobicContact CG1-CE2 3.96Å; V95-F166 HydrophobicContact CG1-CG 3.99Å; V95-F166 HydrophobicContact CG1-CZ 4.48Å; E96-F166 HydrophobicContact CB-CE1 3.9Å; E96-F166 HydrophobicContact CB-CZ 3.84Å; E96-F166 HydrophobicContact CG-CE1 4.23Å; I99-F166 HydrophobicContact CD1-CB 4.06Å; I99-F166 HydrophobicContact CD1-CD1 3.84Å; I99-F166 HydrophobicContact CD1-CG 4.07Å; L162-F166 HydrophobicContact CD2-CD2 4.29Å; L162-F166 CarbonylContact O-C 3.55Å; L162-F166 WeakPolarHBondContact O-CA 3.1Å; L162-F166 PolarHBondContact O-N 3.11Å; F166-D168 PolarHBondContact O-N 3.01Å; F166-C169 WeakPolarHBondContact O-CB 3.48Å; F166-C169 PolarHBondContact O-N 3.18Å; F166-I170 HydrophobicContact CB-CD1 4.09Å; F166-I170 HydrophobicContact CB-CG1 4.44Å; F166-I170 WeakPolarHBondContact O-CD1 3.21Å; F166-I170 WeakPolarHBondContact O-CG1 2.85Å; F166-I170 PolarHBondContact O-N 3.23Å |
| 167 | G | 82.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -32.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L162 M163 V171 N206 | L162-G167 PolarHBondContact O-N 3.24Å; M163-G167 VanDerWaalsContact O-CA 3.26Å; M163-G167 WeakPolarHBondContact O-CA 2.98Å; M163-G167 PolarHBondContact O-N 2.87Å; M163-G167 VanDerWaalsContact O-N 3.15Å; G167-V171 VanDerWaalsContact O-CB 3.27Å; G167-V171 WeakPolarHBondContact O-CB 3.03Å; G167-V171 WeakPolarHBondContact O-CG2 3.37Å; G167-V171 PolarHBondContact O-N 2.85Å; G167-N206 WeakPolarHBondContact CA-ND2 3.34Å |
| 168 | D | 82.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 22.8 Ų | 22.8 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 174.4 | 68.5 | -28.6 | 0 | 0 | 0 | 112.2 | F166 G172 N206 R213 | F166-D168 PolarHBondContact O-N 3.01Å; D168-G172 PolarHBondContact O-N 2.67Å; D168-N206 PolarHBondContact N-ND2 2.86Å; D168-R213 IonicContact OD2-NH1 2.78Å; D168-R213 PolarHBondContact OD2-NH1 3.45Å; D168-R213 VanDerWaalsContact OD2-NH1 3.08Å; D168-R213 IonicContact OD2-NH2 2.8Å |
| 169 | C | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.9 | -45.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | I99 F116 F166 G172 V173 | I99-C169 HydrophobicContact CD1-CB 3.9Å; I99-C169 HydrophobicContact CG2-CB 4.18Å; F116-C169 HydrophobicContact CD1-CB 3.87Å; F166-C169 WeakPolarHBondContact O-CB 3.48Å; F166-C169 PolarHBondContact O-N 3.18Å; C169-G172 PolarHBondContact O-N 3.46Å; C169-G172 VanDerWaalsContact O-N 3.16Å; C169-V173 WeakPolarHBondContact O-CG2 3.31Å; C169-V173 PolarHBondContact O-N 3.27Å |
| 170 | I | 84.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 179.2 | -69 | 158.6 | 0 | 0 | 0 | 109.7 | V153 L162 M163 F166 G172 V173 F174 | V153-I170 HydrophobicContact CG2-CD1 3.58Å; V153-I170 HydrophobicContact CG2-CG1 4.29Å; V153-I170 HydrophobicContact CG2-CG2 4.3Å; L162-I170 HydrophobicContact CB-CD1 4.2Å; M163-I170 HydrophobicContact SD-CD1 4.38Å; F166-I170 HydrophobicContact CB-CD1 4.09Å; F166-I170 HydrophobicContact CB-CG1 4.44Å; F166-I170 WeakPolarHBondContact O-CD1 3.21Å; F166-I170 WeakPolarHBondContact O-CG1 2.85Å; F166-I170 PolarHBondContact O-N 3.23Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.23Å; I170-V173 PolarHBondContact O-N 3.39Å; I170-F174 HydrophobicContact CG2-CD2 3.85Å; I170-F174 HydrophobicContact CG2-CE2 3.68Å; I170-F174 WeakPolarHBondContact O-CD2 3.36Å; I170-F174 PolarHBondContact O-N 3.18Å; I170-F174 VanDerWaalsContact O-N 3.08Å |
| 171 | V | 83.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -38.8 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | G167 F174 A175 N206 L207 L210 | G167-V171 VanDerWaalsContact O-CB 3.27Å; G167-V171 WeakPolarHBondContact O-CB 3.03Å; G167-V171 WeakPolarHBondContact O-CG2 3.37Å; G167-V171 PolarHBondContact O-N 2.85Å; V171-F174 PolarHBondContact O-N 2.87Å; V171-A175 PolarHBondContact O-N 2.93Å; V171-N206 HydrophobicContact CB-CB 4.44Å; V171-N206 HydrophobicContact CG2-CB 4.11Å; V171-L207 HydrophobicContact CG1-CB 4.33Å; V171-L207 HydrophobicContact CG1-CD2 3.26Å; V171-L207 HydrophobicContact CG1-CG 3.52Å; V171-L210 HydrophobicContact CG1-CD2 3.97Å |
| 172 | G | 85.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L115 D168 C169 I170 F174 A175 W176 | L115-G172 VanDerWaalsContact CD2-O 3.32Å; L115-G172 WeakPolarHBondContact CD2-O 3.47Å; D168-G172 PolarHBondContact O-N 2.67Å; C169-G172 PolarHBondContact O-N 3.46Å; C169-G172 VanDerWaalsContact O-N 3.16Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.23Å; G172-F174 VanDerWaalsContact C-N 3.32Å; G172-F174 PolarHBondContact O-N 3.13Å; G172-A175 PolarHBondContact O-N 2.97Å; G172-W176 PolarHBondContact O-N 2.97Å; G172-W176 VanDerWaalsContact O-N 3.1Å |
| 173 | V | 82.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | C103 F116 L142 L149 C169 I170 W176 L177 | C103-V173 HydrophobicContact CB-CG2 4.33Å; F116-V173 HydrophobicContact CE1-CG2 3.73Å; F116-V173 HydrophobicContact CZ-CG2 4.27Å; L142-V173 HydrophobicContact CD2-CG1 4.41Å; L149-V173 HydrophobicContact CD1-CG2 4.16Å; C169-V173 WeakPolarHBondContact O-CG2 3.31Å; C169-V173 PolarHBondContact O-N 3.27Å; I170-V173 PolarHBondContact O-N 3.39Å; V173-W176 PolarHBondContact O-N 3.5Å; V173-L177 HydrophobicContact CG1-CD1 4Å; V173-L177 HydrophobicContact CG1-CG 4.29Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.2Å |
| 174 | F | 79.1 | Confident | 75.7 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.2 | -82.8 | -67.4 | 0 | 0 | 0 | 113.7 | I150 I170 V171 G172 W176 L177 G178 F191 L232 | I150-F174 HydrophobicContact CB-CZ 4.15Å; I150-F174 HydrophobicContact CD1-CE1 3.33Å; I150-F174 HydrophobicContact CD1-CZ 3.51Å; I150-F174 HydrophobicContact CG1-CE1 3.74Å; I150-F174 HydrophobicContact CG1-CE2 4.34Å; I150-F174 HydrophobicContact CG1-CZ 3.34Å; I150-F174 HydrophobicContact CG2-CZ 4.17Å; I170-F174 HydrophobicContact CG2-CD2 3.85Å; I170-F174 HydrophobicContact CG2-CE2 3.68Å; I170-F174 WeakPolarHBondContact O-CD2 3.36Å; I170-F174 PolarHBondContact O-N 3.18Å; I170-F174 VanDerWaalsContact O-N 3.08Å; V171-F174 PolarHBondContact O-N 2.87Å; G172-F174 VanDerWaalsContact C-N 3.32Å; G172-F174 PolarHBondContact O-N 3.13Å; F174-W176 PolarHBondContact O-N 3.47Å; F174-L177 HydrophobicContact CD1-CD1 4.4Å; F174-L177 PolarHBondContact O-N 3.46Å; F174-G178 PolarHBondContact O-N 2.89Å; F174-F191 HydrophobicContact CB-CD1 4.33Å; F174-F191 HydrophobicContact CB-CE1 4.18Å; F174-F191 HydrophobicContact CB-CZ 4.39Å; F174-F191 HydrophobicContact CD1-CB 3.81Å; F174-F191 AromaticContact CD1-CD1 3.92Å; F174-F191 HydrophobicContact CD1-CD1 3.92Å; F174-F191 HydrophobicContact CD1-CD2 4.05Å; F174-F191 AromaticContact CD1-CG 3.64Å; F174-F191 HydrophobicContact CD1-CG 3.64Å; F174-F191 HydrophobicContact CD2-CD1 4.22Å; F174-F191 AromaticContact CD2-CD2 3.41Å; F174-F191 HydrophobicContact CD2-CD2 3.41Å; F174-F191 VanDerWaalsContact CD2-CD2 3.41Å; F174-F191 HydrophobicContact CD2-CE1 4.18Å; F174-F191 AromaticContact CD2-CE2 3.36Å; F174-F191 HydrophobicContact CD2-CE2 3.36Å; F174-F191 AromaticContact CD2-CG 3.84Å; F174-F191 HydrophobicContact CD2-CG 3.84Å; F174-F191 AromaticContact CD2-CZ 3.77Å; F174-F191 HydrophobicContact CD2-CZ 3.77Å; F174-F191 HydrophobicContact CE1-CB 3.28Å; F174-F191 HydrophobicContact CE1-CD1 4.23Å; F174-F191 AromaticContact CE1-CD2 3.74Å; F174-F191 HydrophobicContact CE1-CD2 3.74Å; F174-F191 AromaticContact CE1-CG 3.47Å; F174-F191 HydrophobicContact CE1-CG 3.47Å; F174-F191 VanDerWaalsContact CE1-CG 3.47Å; F174-F191 HydrophobicContact CE2-CB 4.25Å; F174-F191 AromaticContact CE2-CD2 3.04Å; F174-F191 HydrophobicContact CE2-CD2 3.04Å; F174-F191 AromaticContact CE2-CE2 3.36Å; F174-F191 HydrophobicContact CE2-CE2 3.36Å; F174-F191 AromaticContact CE2-CG 3.69Å; F174-F191 HydrophobicContact CE2-CG 3.69Å; F174-F191 HydrophobicContact CE2-CZ 4.22Å; F174-F191 HydrophobicContact CG-CB 4.46Å; F174-F191 AromaticContact CG-CD1 3.9Å; F174-F191 HydrophobicContact CG-CD1 3.9Å; F174-F191 AromaticContact CG-CD2 3.89Å; F174-F191 HydrophobicContact CG-CD2 3.89Å; F174-F191 HydrophobicContact CG-CE1 4.05Å; F174-F191 HydrophobicContact CG-CE2 4.03Å; F174-F191 AromaticContact CG-CG 3.8Å; F174-F191 HydrophobicContact CG-CG 3.8Å; F174-F191 HydrophobicContact CG-CZ 4.11Å; F174-F191 HydrophobicContact CZ-CB 3.49Å; F174-F191 VanDerWaalsContact CZ-CB 3.49Å; F174-F191 HydrophobicContact CZ-CD1 4.46Å; F174-F191 AromaticContact CZ-CD2 3.18Å; F174-F191 HydrophobicContact CZ-CD2 3.18Å; F174-F191 AromaticContact CZ-CE2 4Å; F174-F191 HydrophobicContact CZ-CE2 4Å; F174-F191 AromaticContact CZ-CG 3.45Å; F174-F191 HydrophobicContact CZ-CG 3.45Å; F174-F191 VanDerWaalsContact CZ-CG 3.45Å; F174-L232 HydrophobicContact CB-CD1 4.42Å |
| 175 | A | 81.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V171 G172 G178 L210 S228 T229 L232 | V171-A175 PolarHBondContact O-N 2.93Å; G172-A175 PolarHBondContact O-N 2.97Å; A175-G178 PolarHBondContact O-N 3.27Å; A175-L210 HydrophobicContact CB-CD2 3.86Å; A175-S228 WeakPolarHBondContact O-CB 3.38Å; A175-S228 PolarHBondContact O-OG 3.33Å; A175-T229 HydrophobicContact CB-CG2 4.48Å; A175-T229 VanDerWaalsContact CB-OG1 3.3Å; A175-T229 WeakPolarHBondContact CB-OG1 3.5Å; A175-L232 HydrophobicContact CB-CD1 4.43Å |
| 176 | W | 83.7 | Confident | 73.1 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 176.4 | -176.5 | 92.6 | 0 | 0 | 0 | 112.4 | L115 T139 L142 Q143 G172 V173 F174 G178 T179 V180 L225 | L115-W176 HydrophobicContact CD1-CB 4.1Å; L115-W176 HydrophobicContact CD1-CG 4.47Å; T139-W176 HydrophobicContact CG2-CH2 3.79Å; T139-W176 HydrophobicContact CG2-CZ2 4.38Å; L142-W176 HydrophobicContact CB-CE3 4.29Å; L142-W176 HydrophobicContact CB-CH2 3.55Å; L142-W176 HydrophobicContact CB-CZ2 4.29Å; L142-W176 HydrophobicContact CB-CZ3 3.58Å; L142-W176 HydrophobicContact CD1-CH2 4.14Å; L142-W176 HydrophobicContact CD1-CZ2 4.01Å; L142-W176 HydrophobicContact CD2-CD2 4.01Å; L142-W176 HydrophobicContact CD2-CE3 3.69Å; L142-W176 HydrophobicContact CD2-CH2 4.33Å; L142-W176 HydrophobicContact CD2-CZ3 3.89Å; L142-W176 HydrophobicContact CG-CE3 4.43Å; L142-W176 HydrophobicContact CG-CH2 4.19Å; L142-W176 HydrophobicContact CG-CZ3 4.18Å; Q143-W176 HydrophobicContact CG-CZ3 4.38Å; G172-W176 PolarHBondContact O-N 2.97Å; G172-W176 VanDerWaalsContact O-N 3.1Å; V173-W176 PolarHBondContact O-N 3.5Å; F174-W176 PolarHBondContact O-N 3.47Å; W176-G178 PolarHBondContact O-N 2.88Å; W176-T179 WeakPolarHBondContact O-CA 3.39Å; W176-T179 WeakPolarHBondContact O-CB 3.38Å; W176-T179 PolarHBondContact O-N 3.44Å; W176-T179 PolarHBondContact O-OG1 3.08Å; W176-V180 HydrophobicContact CD2-CG2 3.85Å; W176-V180 HydrophobicContact CE3-CG2 3.99Å; W176-V180 HydrophobicContact CH2-CB 4.32Å; W176-V180 HydrophobicContact CH2-CG1 4.31Å; W176-V180 HydrophobicContact CH2-CG2 3.69Å; W176-V180 HydrophobicContact CZ2-CG2 3.51Å; W176-V180 HydrophobicContact CZ3-CB 4.31Å; W176-V180 HydrophobicContact CZ3-CG2 3.9Å; W176-V180 PolarHBondContact O-N 3.02Å; W176-L225 HydrophobicContact CB-CD1 4.4Å; W176-L225 HydrophobicContact CG-CD1 4.41Å |
| 177 | L | 78 | Confident | 71.6 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 177.7 | -75.5 | 170.8 | 0 | 0 | 0 | 112 | Q143 V173 F174 T179 V180 Q181 | Q143-L177 HydrophobicContact CB-CD2 4.43Å; Q143-L177 HydrophobicContact CG-CD2 3.86Å; V173-L177 HydrophobicContact CG1-CD1 4Å; V173-L177 HydrophobicContact CG1-CG 4.29Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.2Å; F174-L177 HydrophobicContact CD1-CD1 4.4Å; F174-L177 PolarHBondContact O-N 3.46Å; L177-T179 PolarHBondContact O-N 2.84Å; L177-V180 PolarHBondContact O-N 2.79Å; L177-Q181 PolarHBondContact O-N 3.06Å; L177-Q181 VanDerWaalsContact O-N 3.15Å |
| 178 | G | 74.3 | Confident | 70.7 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -19.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F174 A175 W176 | F174-G178 PolarHBondContact O-N 2.89Å; A175-G178 PolarHBondContact O-N 3.27Å; W176-G178 PolarHBondContact O-N 2.88Å |
| 179 | T | 77.4 | Confident | 69.8 | Low | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -85.2 | -36.4 | 174.1 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | W176 L177 P224 L225 | W176-T179 WeakPolarHBondContact O-CA 3.39Å; W176-T179 WeakPolarHBondContact O-CB 3.38Å; W176-T179 PolarHBondContact O-N 3.44Å; W176-T179 PolarHBondContact O-OG1 3.08Å; L177-T179 PolarHBondContact O-N 2.84Å; T179-P224 VanDerWaalsContact CG2-C 3.46Å; T179-P224 HydrophobicContact CG2-CB 4.01Å; T179-P224 WeakPolarHBondContact CG2-O 3.29Å; T179-L225 VanDerWaalsContact CG2-CA 3.44Å; T179-L225 HydrophobicContact CG2-CB 4.08Å; T179-L225 HydrophobicContact CG2-CD1 3.81Å; T179-L225 HydrophobicContact CG2-CG 4Å |
| 180 | V | 69.8 | Low | 68.7 | Low | 58 Ų | 58 | 62 Ų | 62 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -85.6 | -29.9 | -170.9 | -178.7 | 0 | 0 | 0 | 0 | 112 | T139 W176 L177 | T139-V180 HydrophobicContact CG2-CG1 3.69Å; W176-V180 HydrophobicContact CD2-CG2 3.85Å; W176-V180 HydrophobicContact CE3-CG2 3.99Å; W176-V180 HydrophobicContact CH2-CB 4.32Å; W176-V180 HydrophobicContact CH2-CG1 4.31Å; W176-V180 HydrophobicContact CH2-CG2 3.69Å; W176-V180 HydrophobicContact CZ2-CG2 3.51Å; W176-V180 HydrophobicContact CZ3-CB 4.31Å; W176-V180 HydrophobicContact CZ3-CG2 3.9Å; W176-V180 PolarHBondContact O-N 3.02Å; L177-V180 PolarHBondContact O-N 2.79Å |
| 181 | Q | 58.1 | Low | 67.7 | Low | 61 Ų | 61 | 62.1 Ų | 62.1 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | trans | -135.8 | 100.5 | -175.1 | -75.5 | -179.3 | -26.3 | 0 | 0 | 112.7 | Q143 L177 R183 | Q143-Q181 VanDerWaalsContact CD-NE2 3.26Å; Q143-Q181 VanDerWaalsContact OE1-NE2 3.08Å; L177-Q181 PolarHBondContact O-N 3.06Å; L177-Q181 VanDerWaalsContact O-N 3.15Å; Q181-R183 PolarHBondContact O-N 3.49Å | ||
| 182 | R | 50.9 | Low | 66.9 | Low | 249 Ų | 249 | 65.1 Ų | 65.1 | 94% | 0.94 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -71.4 | 4.1 | 157.2 | -85.6 | -171.5 | 178.8 | -180 | 0.6 | 113.6 | ||
| 183 | R | 42.7 | Very low | 65.9 | Low | 233 Ų | 233 | 67 Ų | 67 | 88% | 0.879 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -109 | -16.5 | -168.4 | -74.9 | -171 | -174.8 | 179.1 | 2.9 | 116.7 | Q181 | Q181-R183 PolarHBondContact O-N 3.49Š|
| 184 | D | 50.8 | Low | 64.9 | Low | 61 Ų | 61 | 67.2 Ų | 67.2 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | trans | -108.6 | 79.3 | 179.5 | -93.5 | -28 | 0 | 0 | 0 | 111.5 | R147 L186 S187 | R147-D184 IonicContact CZ-OD2 2.75Å; R147-D184 IonicContact NH2-OD2 3.77Å; R147-D184 PolarHBondContact NH2-OD2 3.18Å; D184-L186 PolarHBondContact O-N 2.9Å; D184-S187 PolarHBondContact O-N 3.08Å | ||
| 185 | E | 57 | Low | 64.1 | Low | 157 Ų | 157 | 67.1 Ų | 67.1 | 73% | 0.734 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56 | -36 | 176.6 | -70.2 | -178.9 | 160.3 | 0 | 0 | 112.1 | S187 F188 C189 | E185-S187 PolarHBondContact O-N 2.98Å; E185-F188 PolarHBondContact O-N 3.04Å; E185-C189 VanDerWaalsContact O-CB 3.3Å; E185-C189 WeakPolarHBondContact O-CB 3.43Å; E185-C189 PolarHBondContact O-N 2.91Å; E185-C189 PolarHBondContact O-SG 3.32Å |
| 186 | L | 57.6 | Low | 63 | Low | 131 Ų | 131 | 72.3 Ų | 72.3 | 69% | 0.686 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.3 | -45.9 | -177 | -102.4 | 137.8 | 0 | 0 | 0 | 114.2 | D184 F188 C189 E190 | D184-L186 PolarHBondContact O-N 2.9Å; L186-F188 VanDerWaalsContact C-N 3.34Å; L186-C189 PolarHBondContact O-N 3.01Å; L186-E190 WeakPolarHBondContact O-CG 3.14Å; L186-E190 PolarHBondContact O-N 2.87Å |
| 187 | S | 55.8 | Low | 61.9 | Low | 23 Ų | 23 | 75.7 Ų | 75.7 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.9 | -34.1 | -177.5 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | D184 E185 F191 | D184-S187 PolarHBondContact O-N 3.08Å; E185-S187 PolarHBondContact O-N 2.98Å; S187-F191 PolarHBondContact O-N 2.7Å |
| 188 | F | 62.1 | Low | 60.6 | Low | 59 Ų | 59 | 80.5 Ų | 80.5 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.8 | -36.9 | 176.3 | -144.2 | -91.1 | 0 | 0 | 0 | 111.2 | E185 L186 F191 Q192 L232 | E185-F188 PolarHBondContact O-N 3.04Å; L186-F188 VanDerWaalsContact C-N 3.34Å; F188-F191 PolarHBondContact O-N 2.9Å; F188-Q192 HydrophobicContact CD1-CG 4.46Å; F188-Q192 WeakPolarHBondContact O-CB 3.29Å; F188-Q192 WeakPolarHBondContact O-CG 3.49Å; F188-Q192 PolarHBondContact O-N 3.02Å; F188-L232 HydrophobicContact CE1-CD2 3.81Å; F188-L232 HydrophobicContact CE2-CD2 4.35Å; F188-L232 HydrophobicContact CZ-CD1 4.47Å; F188-L232 HydrophobicContact CZ-CD2 3.49Å; F188-L232 VanDerWaalsContact CZ-CD2 3.49Å; F188-L232 HydrophobicContact CZ-CG 3.97Å |
| 189 | C | 64.4 | Low | 60.1 | Low | 72 Ų | 72 | 79.5 Ų | 79.5 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 172.4 | -75.6 | 0 | 0 | 0 | 0 | 112.4 | E185 L186 F191 Q192 G193 | E185-C189 VanDerWaalsContact O-CB 3.3Å; E185-C189 WeakPolarHBondContact O-CB 3.43Å; E185-C189 PolarHBondContact O-N 2.91Å; E185-C189 PolarHBondContact O-SG 3.32Å; L186-C189 PolarHBondContact O-N 3.01Å; C189-F191 VanDerWaalsContact C-N 3.34Å; C189-F191 PolarHBondContact O-N 3.15Å; C189-Q192 CarbonylContact O-C 3.58Å; C189-Q192 WeakPolarHBondContact O-CA 3.47Å; C189-Q192 WeakPolarHBondContact O-CB 3.44Å; C189-Q192 PolarHBondContact O-N 2.92Å; C189-G193 PolarHBondContact O-N 2.88Å |
| 190 | E | 64.3 | Low | 59.9 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -42 | 175.9 | -77.9 | -178.2 | 174.4 | 0 | 0 | 111.9 | I150 L186 G193 L194 | I150-E190 HydrophobicContact CG2-CB 3.96Å; L186-E190 WeakPolarHBondContact O-CG 3.14Å; L186-E190 PolarHBondContact O-N 2.87Å; E190-G193 PolarHBondContact O-N 3.24Å; E190-L194 PolarHBondContact O-N 3.43Å |
| 191 | F | 63.7 | Low | 60.2 | Low | 3 Ų | 3 | 76.2 Ų | 76.2 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 173.6 | -175.2 | -113.8 | 0 | 0 | 0 | 113 | F174 S187 F188 C189 G193 L194 L195 L232 | F174-F191 HydrophobicContact CB-CD1 4.33Å; F174-F191 HydrophobicContact CB-CE1 4.18Å; F174-F191 HydrophobicContact CB-CZ 4.39Å; F174-F191 HydrophobicContact CD1-CB 3.81Å; F174-F191 AromaticContact CD1-CD1 3.92Å; F174-F191 HydrophobicContact CD1-CD1 3.92Å; F174-F191 HydrophobicContact CD1-CD2 4.05Å; F174-F191 AromaticContact CD1-CG 3.64Å; F174-F191 HydrophobicContact CD1-CG 3.64Å; F174-F191 HydrophobicContact CD2-CD1 4.22Å; F174-F191 AromaticContact CD2-CD2 3.41Å; F174-F191 HydrophobicContact CD2-CD2 3.41Å; F174-F191 VanDerWaalsContact CD2-CD2 3.41Å; F174-F191 HydrophobicContact CD2-CE1 4.18Å; F174-F191 AromaticContact CD2-CE2 3.36Å; F174-F191 HydrophobicContact CD2-CE2 3.36Å; F174-F191 AromaticContact CD2-CG 3.84Å; F174-F191 HydrophobicContact CD2-CG 3.84Å; F174-F191 AromaticContact CD2-CZ 3.77Å; F174-F191 HydrophobicContact CD2-CZ 3.77Å; F174-F191 HydrophobicContact CE1-CB 3.28Å; F174-F191 HydrophobicContact CE1-CD1 4.23Å; F174-F191 AromaticContact CE1-CD2 3.74Å; F174-F191 HydrophobicContact CE1-CD2 3.74Å; F174-F191 AromaticContact CE1-CG 3.47Å; F174-F191 HydrophobicContact CE1-CG 3.47Å; F174-F191 VanDerWaalsContact CE1-CG 3.47Å; F174-F191 HydrophobicContact CE2-CB 4.25Å; F174-F191 AromaticContact CE2-CD2 3.04Å; F174-F191 HydrophobicContact CE2-CD2 3.04Å; F174-F191 AromaticContact CE2-CE2 3.36Å; F174-F191 HydrophobicContact CE2-CE2 3.36Å; F174-F191 AromaticContact CE2-CG 3.69Å; F174-F191 HydrophobicContact CE2-CG 3.69Å; F174-F191 HydrophobicContact CE2-CZ 4.22Å; F174-F191 HydrophobicContact CG-CB 4.46Å; F174-F191 AromaticContact CG-CD1 3.9Å; F174-F191 HydrophobicContact CG-CD1 3.9Å; F174-F191 AromaticContact CG-CD2 3.89Å; F174-F191 HydrophobicContact CG-CD2 3.89Å; F174-F191 HydrophobicContact CG-CE1 4.05Å; F174-F191 HydrophobicContact CG-CE2 4.03Å; F174-F191 AromaticContact CG-CG 3.8Å; F174-F191 HydrophobicContact CG-CG 3.8Å; F174-F191 HydrophobicContact CG-CZ 4.11Å; F174-F191 HydrophobicContact CZ-CB 3.49Å; F174-F191 VanDerWaalsContact CZ-CB 3.49Å; F174-F191 HydrophobicContact CZ-CD1 4.46Å; F174-F191 AromaticContact CZ-CD2 3.18Å; F174-F191 HydrophobicContact CZ-CD2 3.18Å; F174-F191 AromaticContact CZ-CE2 4Å; F174-F191 HydrophobicContact CZ-CE2 4Å; F174-F191 AromaticContact CZ-CG 3.45Å; F174-F191 HydrophobicContact CZ-CG 3.45Å; F174-F191 VanDerWaalsContact CZ-CG 3.45Å; S187-F191 PolarHBondContact O-N 2.7Å; F188-F191 PolarHBondContact O-N 2.9Å; C189-F191 VanDerWaalsContact C-N 3.34Å; C189-F191 PolarHBondContact O-N 3.15Å; F191-G193 VanDerWaalsContact C-N 3.27Å; F191-G193 PolarHBondContact O-N 3.27Å; F191-L194 HydrophobicContact CD2-CB 4.32Å; F191-L194 HydrophobicContact CD2-CD1 4.05Å; F191-L194 WeakPolarHBondContact O-CB 3.38Å; F191-L194 PolarHBondContact O-N 3.39Å; F191-L194 VanDerWaalsContact O-N 3.11Å; F191-L195 HydrophobicContact CD1-CD1 4.43Å; F191-L195 HydrophobicContact CE1-CD1 4.23Å; F191-L195 HydrophobicContact CE1-CD2 4.29Å; F191-L195 HydrophobicContact CE1-CG 4.41Å; F191-L195 HydrophobicContact CZ-CD2 4.16Å; F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.17Å; F191-L232 HydrophobicContact CD1-CD2 4.1Å; F191-L232 HydrophobicContact CE1-CD2 3.97Å |
| 192 | Q | 65.8 | Low | 61 | Low | 64 Ų | 64 | 76.1 Ų | 76.1 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 169.5 | -88.2 | -174.6 | -0.9 | 0 | 0 | 110.5 | F188 C189 L194 L195 R239 | F188-Q192 HydrophobicContact CD1-CG 4.46Å; F188-Q192 WeakPolarHBondContact O-CB 3.29Å; F188-Q192 WeakPolarHBondContact O-CG 3.49Å; F188-Q192 PolarHBondContact O-N 3.02Å; C189-Q192 CarbonylContact O-C 3.58Å; C189-Q192 WeakPolarHBondContact O-CA 3.47Å; C189-Q192 WeakPolarHBondContact O-CB 3.44Å; C189-Q192 PolarHBondContact O-N 2.92Å; Q192-L194 VanDerWaalsContact C-N 3.28Å; Q192-L194 PolarHBondContact O-N 2.87Å; Q192-L195 WeakPolarHBondContact O-CB 3.5Å; Q192-L195 PolarHBondContact O-N 3.32Å; Q192-L195 VanDerWaalsContact O-N 3.16Å; Q192-R239 VanDerWaalsContact C-NH2 3.27Å; Q192-R239 VanDerWaalsContact CA-NH2 3.27Å; Q192-R239 PolarHBondContact O-NH1 3.28Å; Q192-R239 PolarHBondContact O-NH2 2.82Å |
| 193 | G | 65.1 | Low | 62.4 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | C189 E190 F191 L195 D196 | C189-G193 PolarHBondContact O-N 2.88Å; E190-G193 PolarHBondContact O-N 3.24Å; F191-G193 VanDerWaalsContact C-N 3.27Å; F191-G193 PolarHBondContact O-N 3.27Å; G193-L195 PolarHBondContact O-N 3.31Å; G193-D196 WeakPolarHBondContact O-CB 3.27Å; G193-D196 PolarHBondContact O-N 3.44Å |
| 194 | L | 60.1 | Low | 64.3 | Low | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -19.3 | 176.5 | -81.5 | 163.8 | 0 | 0 | 0 | 114.5 | I150 V153 N154 H159 E190 F191 Q192 D196 | I150-L194 HydrophobicContact CG2-CD1 4.38Å; V153-L194 HydrophobicContact CB-CD1 4.24Å; V153-L194 HydrophobicContact CG1-CD1 3.71Å; V153-L194 HydrophobicContact CG1-CD2 3.71Å; V153-L194 HydrophobicContact CG1-CG 4.34Å; N154-L194 WeakPolarHBondContact OD1-CD1 3.26Å; N154-L194 WeakPolarHBondContact OD1-CD2 3.49Å; N154-L194 WeakPolarHBondContact OD1-CG 3.34Å; H159-L194 VanDerWaalsContact CE1-CD2 3.42Å; H159-L194 WeakPolarHBondContact CE1-CD2 3.37Å; H159-L194 WeakPolarHBondContact ND1-CD2 3.38Å; E190-L194 PolarHBondContact O-N 3.43Å; F191-L194 HydrophobicContact CD2-CB 4.32Å; F191-L194 HydrophobicContact CD2-CD1 4.05Å; F191-L194 WeakPolarHBondContact O-CB 3.38Å; F191-L194 PolarHBondContact O-N 3.39Å; F191-L194 VanDerWaalsContact O-N 3.11Å; Q192-L194 VanDerWaalsContact C-N 3.28Å; Q192-L194 PolarHBondContact O-N 2.87Å; L194-D196 PolarHBondContact O-N 3.4Å |
| 195 | L | 62.4 | Low | 65.8 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 10.4 | 176.9 | -61.8 | 171 | 0 | 0 | 0 | 112.7 | F191 Q192 G193 M200 C203 T236 | F191-L195 HydrophobicContact CD1-CD1 4.43Å; F191-L195 HydrophobicContact CE1-CD1 4.23Å; F191-L195 HydrophobicContact CE1-CD2 4.29Å; F191-L195 HydrophobicContact CE1-CG 4.41Å; F191-L195 HydrophobicContact CZ-CD2 4.16Å; F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.17Å; Q192-L195 WeakPolarHBondContact O-CB 3.5Å; Q192-L195 PolarHBondContact O-N 3.32Å; Q192-L195 VanDerWaalsContact O-N 3.16Å; G193-L195 PolarHBondContact O-N 3.31Å; L195-M200 HydrophobicContact CB-CE 4.39Å; L195-M200 HydrophobicContact CB-SD 3.68Å; L195-M200 HydrophobicContact CD2-SD 3.73Å; L195-M200 HydrophobicContact CG-SD 4.29Å; L195-M200 WeakPolarHBondContact O-CE 3.38Å; L195-M200 WeakPolarHBondContact O-CG 3.49Å; L195-C203 HydrophobicContact CD2-CB 3.86Å; L195-T236 HydrophobicContact CB-CG2 4.07Å; L195-T236 HydrophobicContact CD1-CG2 3.33Å; L195-T236 HydrophobicContact CD2-CG2 3.4Å; L195-T236 HydrophobicContact CG-CG2 3.74Å |
| 196 | D | 58.2 | Low | 67 | Low | 108 Ų | 108 | 49.6 Ų | 49.6 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -8.6 | 177.3 | -65.1 | -39.2 | 0 | 0 | 0 | 113.6 | G193 L194 R239 | G193-D196 WeakPolarHBondContact O-CB 3.27Å; G193-D196 PolarHBondContact O-N 3.44Å; L194-D196 PolarHBondContact O-N 3.4Å; D196-R239 IonicContact OD1-CZ 3.63Å; D196-R239 IonicContact OD1-NH1 3.54Å; D196-R239 PolarHBondContact OD1-NH1 2.95Å; D196-R239 IonicContact OD2-NH1 2.61Å; D196-R239 PolarHBondContact OD2-NH1 2.94Å |
| 197 | D | 61.1 | Low | 68.3 | Low | 94 Ų | 94 | 43.4 Ų | 43.4 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -98.1 | 172.1 | -171.6 | -86.5 | -30.6 | 0 | 0 | 0 | 115.5 | S199 M200 | D197-S199 PolarHBondContact O-N 2.91Å; D197-M200 WeakPolarHBondContact O-CB 3.33Å; D197-M200 PolarHBondContact O-N 3.46Å |
| 198 | C | 50.7 | Low | 69.6 | Low | 119 Ų | 119 | 44.8 Ų | 44.8 | 80% | 0.804 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -20.3 | -179.6 | -69.4 | 0 | 0 | 0 | 0 | 115.6 | M200 P201 | C198-M200 VanDerWaalsContact C-N 3.34Å; C198-P201 WeakPolarHBondContact O-CD 3.43Å |
| 199 | S | 63.7 | Low | 70.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3 | -179.7 | 68 | 0 | 0 | 0 | 0 | 113.9 | H159 D197 P201 L202 C203 | H159-S199 PolarHBondContact CE1-OG 2.87Å; H159-S199 VanDerWaalsContact NE2-CB 3.29Å; H159-S199 WeakPolarHBondContact NE2-CB 3.39Å; H159-S199 PolarHBondContact NE2-OG 2.84Å; D197-S199 PolarHBondContact O-N 2.91Å; S199-P201 VanDerWaalsContact C-N 3.28Å; S199-P201 VanDerWaalsContact O-N 3.14Å; S199-L202 WeakPolarHBondContact O-CA 3.34Å; S199-L202 VanDerWaalsContact O-CB 3.28Å; S199-L202 WeakPolarHBondContact O-CB 3.41Å; S199-L202 PolarHBondContact O-N 3.33Å; S199-C203 PolarHBondContact O-N 2.98Å; S199-C203 VanDerWaalsContact O-N 3.08Å |
| 200 | M | 74.7 | Confident | 71.8 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -47.2 | -40.7 | 177.8 | -96.6 | -67.2 | -92.3 | 0 | 0 | 115.4 | L195 D197 C198 L202 C203 V204 T236 | L195-M200 HydrophobicContact CB-CE 4.39Å; L195-M200 HydrophobicContact CB-SD 3.68Å; L195-M200 HydrophobicContact CD2-SD 3.73Å; L195-M200 HydrophobicContact CG-SD 4.29Å; L195-M200 WeakPolarHBondContact O-CE 3.38Å; L195-M200 WeakPolarHBondContact O-CG 3.49Å; D197-M200 WeakPolarHBondContact O-CB 3.33Å; D197-M200 PolarHBondContact O-N 3.46Å; C198-M200 VanDerWaalsContact C-N 3.34Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.42Å; M200-C203 WeakPolarHBondContact O-CB 3.44Å; M200-C203 PolarHBondContact O-N 3.35Å; M200-C203 HydrophobicContact SD-CB 4.38Å; M200-V204 WeakPolarHBondContact O-CG2 3.39Å; M200-V204 PolarHBondContact O-N 2.95Å; M200-T236 HydrophobicContact CE-CG2 3.71Å; M200-T236 WeakPolarHBondContact CE-O 3.42Å; M200-T236 HydrophobicContact SD-CG2 3.7Å |
| 201 | P | 75.2 | Confident | 72.8 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -37.2 | 173.4 | -24.4 | 35.1 | 0 | 0 | 0 | 113.3 | C198 S199 K205 R248 A249 | C198-P201 WeakPolarHBondContact O-CD 3.43Å; S199-P201 VanDerWaalsContact C-N 3.28Å; S199-P201 VanDerWaalsContact O-N 3.14Å; P201-K205 WeakPolarHBondContact O-CB 3.48Å; P201-K205 PolarHBondContact O-N 3.3Å; P201-R248 HydrophobicContact CB-CB 4.18Å; P201-R248 HydrophobicContact CG-CB 4.01Å; P201-A249 HydrophobicContact CB-CB 4.14Å; P201-A249 WeakPolarHBondContact O-CB 3.44Å |
| 202 | L | 75.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 175.7 | -66.9 | 164.4 | 0 | 0 | 0 | 110.9 | M163 S199 M200 V204 K205 N206 | M163-L202 HydrophobicContact CB-CD1 4.3Å; M163-L202 HydrophobicContact CE-CB 4.49Å; S199-L202 WeakPolarHBondContact O-CA 3.34Å; S199-L202 VanDerWaalsContact O-CB 3.28Å; S199-L202 WeakPolarHBondContact O-CB 3.41Å; S199-L202 PolarHBondContact O-N 3.33Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.42Å; L202-V204 PolarHBondContact O-N 3.28Å; L202-K205 PolarHBondContact O-N 2.83Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 VanDerWaalsContact O-CG 3.23Å; L202-N206 PolarHBondContact O-N 2.93Å; L202-N206 PolarHBondContact O-ND2 2.91Å; L202-N206 VanDerWaalsContact O-ND2 3.09Å |
| 203 | C | 79.5 | Confident | 74.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | 174.1 | -75 | 0 | 0 | 0 | 0 | 111.5 | M163 L195 S199 M200 K205 N206 L207 | M163-C203 HydrophobicContact CE-CB 4.38Å; M163-C203 WeakPolarHBondContact CE-SG 3.47Å; L195-C203 HydrophobicContact CD2-CB 3.86Å; S199-C203 PolarHBondContact O-N 2.98Å; S199-C203 VanDerWaalsContact O-N 3.08Å; M200-C203 WeakPolarHBondContact O-CB 3.44Å; M200-C203 PolarHBondContact O-N 3.35Å; M200-C203 HydrophobicContact SD-CB 4.38Å; C203-K205 PolarHBondContact O-N 3.49Å; C203-N206 PolarHBondContact O-N 2.94Å; C203-L207 WeakPolarHBondContact O-CB 3.45Å; C203-L207 WeakPolarHBondContact O-CG 3.39Å; C203-L207 PolarHBondContact O-N 3.05Å |
| 204 | V | 81.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | M200 L202 N206 L207 F208 L233 F246 A249 F250 | M200-V204 WeakPolarHBondContact O-CG2 3.39Å; M200-V204 PolarHBondContact O-N 2.95Å; L202-V204 PolarHBondContact O-N 3.28Å; V204-N206 VanDerWaalsContact C-N 3.31Å; V204-N206 PolarHBondContact O-N 3.45Å; V204-L207 PolarHBondContact O-N 2.98Å; V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.45Å; V204-L233 HydrophobicContact CG1-CD1 4.08Å; V204-F246 HydrophobicContact CG1-CB 4.16Å; V204-F246 HydrophobicContact CG1-CD2 3.3Å; V204-F246 HydrophobicContact CG1-CE2 3.9Å; V204-F246 HydrophobicContact CG1-CG 3.96Å; V204-A249 HydrophobicContact CB-CB 4.11Å; V204-A249 HydrophobicContact CG1-CB 4.04Å; V204-F250 HydrophobicContact CG1-CE2 4.04Å; V204-F250 HydrophobicContact CG1-CZ 4.5Å |
| 205 | K | 82.2 | Confident | 77 | Confident | 114 Ų | 114 | 43.6 Ų | 43.6 | 50% | 0.496 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.9 | -44 | 178.3 | -173 | 176.5 | 178.1 | 178.2 | 0 | 111.7 | P201 L202 C203 S209 A249 | P201-K205 WeakPolarHBondContact O-CB 3.48Å; P201-K205 PolarHBondContact O-N 3.3Å; L202-K205 PolarHBondContact O-N 2.83Å; C203-K205 PolarHBondContact O-N 3.49Å; K205-S209 WeakPolarHBondContact O-CB 3.39Å; K205-S209 PolarHBondContact O-N 2.78Å; K205-A249 HydrophobicContact CB-CB 4.25Å |
| 206 | N | 83.1 | Confident | 78.1 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | -179.9 | -72.6 | -30.5 | 0 | 0 | 0 | 112.1 | G167 D168 V171 L202 C203 V204 F208 S209 L210 | G167-N206 WeakPolarHBondContact CA-ND2 3.34Å; D168-N206 PolarHBondContact N-ND2 2.86Å; V171-N206 HydrophobicContact CB-CB 4.44Å; V171-N206 HydrophobicContact CG2-CB 4.11Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 VanDerWaalsContact O-CG 3.23Å; L202-N206 PolarHBondContact O-N 2.93Å; L202-N206 PolarHBondContact O-ND2 2.91Å; L202-N206 VanDerWaalsContact O-ND2 3.09Å; C203-N206 PolarHBondContact O-N 2.94Å; V204-N206 VanDerWaalsContact C-N 3.31Å; V204-N206 PolarHBondContact O-N 3.45Å; N206-F208 VanDerWaalsContact C-N 3.34Å; N206-F208 PolarHBondContact O-N 3.35Å; N206-S209 PolarHBondContact O-N 2.82Å; N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.41Å; N206-L210 PolarHBondContact O-N 3.37Å |
| 207 | L | 85.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.6 | -80.6 | 166.5 | 0 | 0 | 0 | 111.6 | V171 C203 V204 L210 I211 T229 L232 L233 T236 | V171-L207 HydrophobicContact CG1-CB 4.33Å; V171-L207 HydrophobicContact CG1-CD2 3.26Å; V171-L207 HydrophobicContact CG1-CG 3.52Å; C203-L207 WeakPolarHBondContact O-CB 3.45Å; C203-L207 WeakPolarHBondContact O-CG 3.39Å; C203-L207 PolarHBondContact O-N 3.05Å; V204-L207 PolarHBondContact O-N 2.98Å; L207-L210 WeakPolarHBondContact O-CB 3.5Å; L207-L210 PolarHBondContact O-N 3.16Å; L207-I211 WeakPolarHBondContact O-CG1 3.33Å; L207-I211 PolarHBondContact O-N 3.34Å; L207-T229 HydrophobicContact CD2-CG2 3.8Å; L207-L232 HydrophobicContact CD1-CB 4.37Å; L207-L232 HydrophobicContact CD2-CB 3.8Å; L207-L232 HydrophobicContact CD2-CD1 4.41Å; L207-L233 HydrophobicContact CB-CB 4.49Å; L207-L233 HydrophobicContact CB-CD1 4.12Å; L207-L233 HydrophobicContact CD1-CB 4.47Å; L207-L233 HydrophobicContact CD1-CD1 4.4Å; L207-T236 HydrophobicContact CD1-CG2 4.29Å |
| 208 | F | 83.3 | Confident | 80.2 | Confident | 52 Ų | 52 | 46 Ų | 46 | 23% | 0.228 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 179.8 | -163.3 | -83.3 | 0 | 0 | 0 | 112.3 | V204 N206 L210 I211 T212 L233 F246 F250 L265 V268 | V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.45Å; N206-F208 VanDerWaalsContact C-N 3.34Å; N206-F208 PolarHBondContact O-N 3.35Å; F208-L210 VanDerWaalsContact C-N 3.31Å; F208-L210 PolarHBondContact O-N 3.24Å; F208-I211 PolarHBondContact O-N 3.11Å; F208-T212 PolarHBondContact O-N 3.33Å; F208-T212 PolarHBondContact O-OG1 3.26Å; F208-T212 VanDerWaalsContact O-OG1 3.05Å; F208-L233 HydrophobicContact CD2-CD2 4.27Å; F208-F246 HydrophobicContact CD2-CE2 4.35Å; F208-F246 HydrophobicContact CD2-CZ 4.44Å; F208-F246 HydrophobicContact CE2-CZ 4.38Å; F208-F250 HydrophobicContact CB-CE1 4.36Å; F208-F250 HydrophobicContact CB-CZ 3.75Å; F208-F250 HydrophobicContact CD1-CE1 4.06Å; F208-F250 HydrophobicContact CD1-CZ 4.01Å; F208-F250 AromaticContact CD2-CZ 3.86Å; F208-F250 HydrophobicContact CD2-CZ 3.86Å; F208-F250 HydrophobicContact CE2-CZ 4.44Å; F208-F250 HydrophobicContact CG-CE1 4.13Å; F208-F250 AromaticContact CG-CZ 3.61Å; F208-F250 HydrophobicContact CG-CZ 3.61Å; F208-L265 HydrophobicContact CE2-CD2 4.34Å; F208-L265 HydrophobicContact CZ-CD2 4.19Å; F208-V268 HydrophobicContact CE2-CB 4.31Å; F208-V268 HydrophobicContact CE2-CG1 3.99Å; F208-V268 HydrophobicContact CE2-CG2 3.97Å; F208-V268 HydrophobicContact CZ-CG2 4.07Å |
| 209 | S | 84.6 | Confident | 81.6 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | K205 N206 I211 T212 R213 | K205-S209 WeakPolarHBondContact O-CB 3.39Å; K205-S209 PolarHBondContact O-N 2.78Å; N206-S209 PolarHBondContact O-N 2.82Å; S209-I211 PolarHBondContact O-N 3.25Å; S209-T212 WeakPolarHBondContact O-CB 3.38Å; S209-T212 PolarHBondContact O-N 3.43Å; S209-T212 VanDerWaalsContact O-N 3.11Å; S209-R213 WeakPolarHBondContact O-CG 3.28Å; S209-R213 PolarHBondContact O-N 2.63Å |
| 210 | L | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 179.9 | 178 | 61 | 0 | 0 | 0 | 112.4 | A114 L115 V171 A175 N206 L207 F208 T212 R213 L214 T229 | A114-L210 WeakPolarHBondContact O-CD1 3.26Å; L115-L210 HydrophobicContact CD2-CD1 3.93Å; L115-L210 HydrophobicContact CD2-CD2 4.41Å; V171-L210 HydrophobicContact CG1-CD2 3.97Å; A175-L210 HydrophobicContact CB-CD2 3.86Å; N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.41Å; N206-L210 PolarHBondContact O-N 3.37Å; L207-L210 WeakPolarHBondContact O-CB 3.5Å; L207-L210 PolarHBondContact O-N 3.16Å; F208-L210 VanDerWaalsContact C-N 3.31Å; F208-L210 PolarHBondContact O-N 3.24Å; L210-T212 PolarHBondContact O-N 2.82Å; L210-R213 PolarHBondContact O-N 2.67Å; L210-R213 VanDerWaalsContact O-N 3.17Å; L210-L214 HydrophobicContact CD1-CD1 4.08Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.34Å; L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 VanDerWaalsContact O-CG 3.31Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.11Å; L210-T229 HydrophobicContact CB-CG2 4.33Å; L210-T229 HydrophobicContact CD2-CG2 3.74Å; L210-T229 HydrophobicContact CG-CG2 4.01Å |
| 211 | I | 85.8 | Confident | 82.6 | Confident | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -40.8 | 175.8 | -68.5 | 169.8 | 0 | 0 | 0 | 110.8 | L207 F208 S209 K215 T229 L233 | L207-I211 WeakPolarHBondContact O-CG1 3.33Å; L207-I211 PolarHBondContact O-N 3.34Å; F208-I211 PolarHBondContact O-N 3.11Å; S209-I211 PolarHBondContact O-N 3.25Å; I211-K215 HydrophobicContact CG2-CD 4.34Å; I211-K215 WeakPolarHBondContact O-CG 3.42Å; I211-K215 PolarHBondContact O-N 3.28Å; I211-K215 VanDerWaalsContact O-N 3.13Å; I211-T229 HydrophobicContact CD1-CG2 4.19Å; I211-T229 HydrophobicContact CG1-CG2 3.52Å; I211-L233 HydrophobicContact CD1-CB 4.45Å; I211-L233 HydrophobicContact CD1-CD2 3.8Å |
| 212 | T | 84.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 179 | -50.3 | 0 | 0 | 0 | 0 | 111 | F208 S209 L210 L214 K215 N216 | F208-T212 PolarHBondContact O-N 3.33Å; F208-T212 PolarHBondContact O-OG1 3.26Å; F208-T212 VanDerWaalsContact O-OG1 3.05Å; S209-T212 WeakPolarHBondContact O-CB 3.38Å; S209-T212 PolarHBondContact O-N 3.43Å; S209-T212 VanDerWaalsContact O-N 3.11Å; L210-T212 PolarHBondContact O-N 2.82Å; T212-L214 PolarHBondContact O-N 3.37Å; T212-K215 PolarHBondContact O-N 3.27Å; T212-N216 VanDerWaalsContact O-CG 3.28Å; T212-N216 PolarHBondContact O-N 3.11Å; T212-N216 VanDerWaalsContact O-N 3.11Å; T212-N216 PolarHBondContact O-OD1 3.17Å |
| 213 | R | 87.7 | Confident | 83.3 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.5 | -66.6 | -167.9 | -55.7 | -148.3 | 4.5 | 112.1 | A114 L115 D168 S209 L210 N216 V217 | A114-R213 PolarHBondContact O-NE 2.94Å; A114-R213 PolarHBondContact O-NH2 3.01Å; L115-R213 PolarHBondContact O-NH2 3.46Å; D168-R213 IonicContact OD2-NH1 2.78Å; D168-R213 PolarHBondContact OD2-NH1 3.45Å; D168-R213 VanDerWaalsContact OD2-NH1 3.08Å; D168-R213 IonicContact OD2-NH2 2.8Å; S209-R213 WeakPolarHBondContact O-CG 3.28Å; S209-R213 PolarHBondContact O-N 2.63Å; L210-R213 PolarHBondContact O-N 2.67Å; L210-R213 VanDerWaalsContact O-N 3.17Å; R213-N216 PolarHBondContact O-N 3.21Å; R213-V217 PolarHBondContact O-N 2.92Å |
| 214 | L | 85.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 179.3 | -71.1 | 169.9 | 0 | 0 | 0 | 112.1 | A114 L115 L210 T212 N216 V217 L219 L225 I226 | A114-L214 HydrophobicContact CB-CD2 3.83Å; L115-L214 HydrophobicContact CD2-CD2 4.42Å; L210-L214 HydrophobicContact CD1-CD1 4.08Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.34Å; L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 VanDerWaalsContact O-CG 3.31Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.11Å; T212-L214 PolarHBondContact O-N 3.37Å; L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 3.13Å; L214-V217 PolarHBondContact O-N 3.46Å; L214-L219 HydrophobicContact CB-CD1 4.11Å; L214-L219 HydrophobicContact CD2-CD1 3.69Å; L214-L219 HydrophobicContact CG-CD1 4.5Å; L214-L225 HydrophobicContact CD1-CD2 3.96Å; L214-L225 HydrophobicContact CD2-CD2 3.43Å; L214-L225 VanDerWaalsContact CD2-CD2 3.43Å; L214-L225 HydrophobicContact CG-CD2 4.37Å; L214-I226 HydrophobicContact CB-CD1 4.19Å; L214-I226 HydrophobicContact CB-CG1 3.93Å; L214-I226 HydrophobicContact CD1-CG1 4.33Å |
| 215 | K | 83.7 | Confident | 83.7 | Confident | 116 Ų | 116 | 54 Ų | 54 | 50% | 0.504 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.3 | -73.3 | 177.7 | 179.4 | 179.7 | 0 | 112.5 | I211 T212 V217 G218 I226 | I211-K215 HydrophobicContact CG2-CD 4.34Å; I211-K215 WeakPolarHBondContact O-CG 3.42Å; I211-K215 PolarHBondContact O-N 3.28Å; I211-K215 VanDerWaalsContact O-N 3.13Å; T212-K215 PolarHBondContact O-N 3.27Å; K215-V217 PolarHBondContact O-N 3.37Å; K215-G218 PolarHBondContact O-N 3.1Å; K215-I226 HydrophobicContact CG-CD1 3.9Å |
| 216 | N | 85.5 | Confident | 83.8 | Confident | 136 Ų | 136 | 49.1 Ų | 49.1 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.2 | -20 | 179.4 | -70.6 | -9 | 0 | 0 | 0 | 113.5 | T212 R213 L214 | T212-N216 VanDerWaalsContact O-CG 3.28Å; T212-N216 PolarHBondContact O-N 3.11Å; T212-N216 VanDerWaalsContact O-N 3.11Å; T212-N216 PolarHBondContact O-OD1 3.17Å; R213-N216 PolarHBondContact O-N 3.21Å; L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 3.13Å |
| 217 | V | 83.4 | Confident | 83.8 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.3 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | K110 A114 R213 L214 K215 | K110-V217 HydrophobicContact CB-CG1 3.78Å; K110-V217 HydrophobicContact CD-CG1 4.33Å; K110-V217 HydrophobicContact CG-CG1 4.42Å; A114-V217 HydrophobicContact CB-CG2 3.81Å; R213-V217 PolarHBondContact O-N 2.92Å; L214-V217 PolarHBondContact O-N 3.46Å; K215-V217 PolarHBondContact O-N 3.37Å |
| 218 | G | 79.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 51 Ų | 51 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 12.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K215 S220 | K215-G218 PolarHBondContact O-N 3.1Å; G218-S220 PolarHBondContact O-N 2.86Å |
| 219 | L | 81.3 | Confident | 83.7 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | trans | -66.7 | 131.9 | 173.5 | -67 | 167.8 | 0 | 0 | 0 | 109.9 | L214 D223 I226 | L214-L219 HydrophobicContact CB-CD1 4.11Å; L214-L219 HydrophobicContact CD2-CD1 3.69Å; L214-L219 HydrophobicContact CG-CD1 4.5Å; L219-D223 HydrophobicContact CB-CB 4.25Å; L219-D223 WeakPolarHBondContact CD2-OD2 3.41Å; L219-I226 HydrophobicContact CB-CD1 3.76Å; L219-I226 HydrophobicContact CB-CG1 4.32Å | ||
| 220 | S | 82.2 | Confident | 83.7 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | trans | -63 | 150 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | G218 S222 D223 I226 | G218-S220 PolarHBondContact O-N 2.86Å; S220-S222 PolarHBondContact O-N 2.79Å; S220-S222 PolarHBondContact OG-N 3.03Å; S220-S222 PolarHBondContact OG-OG 3.45Å; S220-D223 WeakPolarHBondContact O-CB 3.43Å; S220-D223 PolarHBondContact O-N 3.31Å; S220-I226 WeakPolarHBondContact O-CD1 3.44Å | ||
| 221 | A | 76.7 | Confident | 83.5 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 222 | S | 81 | Confident | 83.2 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.3 | 175 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | S220 L227 | S220-S222 PolarHBondContact O-N 2.79Å; S220-S222 PolarHBondContact OG-N 3.03Å; S220-S222 PolarHBondContact OG-OG 3.45Å; S222-L227 WeakPolarHBondContact O-CD1 3.25Å |
| 223 | D | 85 | Confident | 83.3 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | trans | -63.3 | 135.5 | -179.8 | -172.4 | -82.1 | 0 | 0 | 0 | 110.7 | L219 S220 L225 I226 L227 | L219-D223 HydrophobicContact CB-CB 4.25Å; L219-D223 WeakPolarHBondContact CD2-OD2 3.41Å; S220-D223 WeakPolarHBondContact O-CB 3.43Å; S220-D223 PolarHBondContact O-N 3.31Å; D223-L225 PolarHBondContact O-N 2.93Å; D223-L225 VanDerWaalsContact O-N 3.11Å; D223-L225 WeakPolarHBondContact OD1-CB 3.38Å; D223-L225 PolarHBondContact OD1-N 2.87Å; D223-I226 HydrophobicContact CB-CB 4.41Å; D223-I226 HydrophobicContact CB-CG1 4.34Å; D223-I226 PolarHBondContact O-N 2.86Å; D223-I226 VanDerWaalsContact O-N 3.08Å; D223-L227 WeakPolarHBondContact O-CG 3.18Å; D223-L227 PolarHBondContact O-N 3.48Å | ||
| 224 | P | 84 | Confident | 83.2 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.9 | -34.8 | -179.3 | -25.6 | 33.4 | 0 | 0 | 0 | 113.4 | T179 L227 S228 | T179-P224 VanDerWaalsContact CG2-C 3.46Å; T179-P224 HydrophobicContact CG2-CB 4.01Å; T179-P224 WeakPolarHBondContact CG2-O 3.29Å; P224-L227 PolarHBondContact O-N 2.98Å; P224-S228 WeakPolarHBondContact O-CB 3.49Å; P224-S228 PolarHBondContact O-N 3.4Å |
| 225 | L | 84.9 | Confident | 83 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.9 | -40.9 | -178.5 | -136.5 | 108.7 | 0 | 0 | 0 | 111.3 | L115 W176 T179 L214 D223 T229 | L115-L225 HydrophobicContact CD1-CD2 4.31Å; L115-L225 HydrophobicContact CD2-CD2 3.55Å; L115-L225 HydrophobicContact CG-CD2 4.09Å; W176-L225 HydrophobicContact CB-CD1 4.4Å; W176-L225 HydrophobicContact CG-CD1 4.41Å; T179-L225 VanDerWaalsContact CG2-CA 3.44Å; T179-L225 HydrophobicContact CG2-CB 4.08Å; T179-L225 HydrophobicContact CG2-CD1 3.81Å; T179-L225 HydrophobicContact CG2-CG 4Å; L214-L225 HydrophobicContact CD1-CD2 3.96Å; L214-L225 HydrophobicContact CD2-CD2 3.43Å; L214-L225 VanDerWaalsContact CD2-CD2 3.43Å; L214-L225 HydrophobicContact CG-CD2 4.37Å; D223-L225 PolarHBondContact O-N 2.93Å; D223-L225 VanDerWaalsContact O-N 3.11Å; D223-L225 WeakPolarHBondContact OD1-CB 3.38Å; D223-L225 PolarHBondContact OD1-N 2.87Å; L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 PolarHBondContact O-N 3.47Å; L225-T229 PolarHBondContact O-OG1 3.38Å |
| 226 | I | 85.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 173.8 | -66.6 | -168.9 | 0 | 0 | 0 | 110.2 | L214 K215 L219 S220 D223 T229 G230 | L214-I226 HydrophobicContact CB-CD1 4.19Å; L214-I226 HydrophobicContact CB-CG1 3.93Å; L214-I226 HydrophobicContact CD1-CG1 4.33Å; K215-I226 HydrophobicContact CG-CD1 3.9Å; L219-I226 HydrophobicContact CB-CD1 3.76Å; L219-I226 HydrophobicContact CB-CG1 4.32Å; S220-I226 WeakPolarHBondContact O-CD1 3.44Å; D223-I226 HydrophobicContact CB-CB 4.41Å; D223-I226 HydrophobicContact CB-CG1 4.34Å; D223-I226 PolarHBondContact O-N 2.86Å; D223-I226 VanDerWaalsContact O-N 3.08Å; I226-T229 PolarHBondContact O-N 3.48Å; I226-G230 PolarHBondContact O-N 3.44Å |
| 227 | L | 83.3 | Confident | 82.9 | Confident | 53 Ų | 53 | 35.7 Ų | 35.7 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.5 | -68.4 | 174.4 | 0 | 0 | 0 | 112.1 | S222 D223 P224 G230 N231 Q274 | S222-L227 WeakPolarHBondContact O-CD1 3.25Å; D223-L227 WeakPolarHBondContact O-CG 3.18Å; D223-L227 PolarHBondContact O-N 3.48Å; P224-L227 PolarHBondContact O-N 2.98Å; L227-G230 PolarHBondContact O-N 2.95Å; L227-N231 WeakPolarHBondContact O-CB 3.31Å; L227-N231 PolarHBondContact O-N 3.4Å; L227-N231 PolarHBondContact O-ND2 3.28Å; L227-Q274 VanDerWaalsContact CD2-OE1 3.25Å |
| 228 | S | 82.5 | Confident | 83.1 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 175.4 | 179 | 0 | 0 | 0 | 0 | 111.2 | A175 P224 G230 N231 L232 | A175-S228 WeakPolarHBondContact O-CB 3.38Å; A175-S228 PolarHBondContact O-OG 3.33Å; P224-S228 WeakPolarHBondContact O-CB 3.49Å; P224-S228 PolarHBondContact O-N 3.4Å; S228-G230 PolarHBondContact O-N 3.08Å; S228-N231 PolarHBondContact O-N 2.92Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 3.09Å |
| 229 | T | 84.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | -46.5 | 0 | 0 | 0 | 0 | 111.9 | A175 L207 L210 I211 L225 I226 L232 L233 | A175-T229 HydrophobicContact CB-CG2 4.48Å; A175-T229 VanDerWaalsContact CB-OG1 3.3Å; A175-T229 WeakPolarHBondContact CB-OG1 3.5Å; L207-T229 HydrophobicContact CD2-CG2 3.8Å; L210-T229 HydrophobicContact CB-CG2 4.33Å; L210-T229 HydrophobicContact CD2-CG2 3.74Å; L210-T229 HydrophobicContact CG-CG2 4.01Å; I211-T229 HydrophobicContact CD1-CG2 4.19Å; I211-T229 HydrophobicContact CG1-CG2 3.52Å; L225-T229 WeakPolarHBondContact O-CB 3.35Å; L225-T229 PolarHBondContact O-N 3.47Å; L225-T229 PolarHBondContact O-OG1 3.38Å; I226-T229 PolarHBondContact O-N 3.48Å; T229-L232 PolarHBondContact O-N 2.91Å; T229-L233 PolarHBondContact O-N 2.96Å |
| 230 | G | 83.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | I226 L227 S228 L233 T234 | I226-G230 PolarHBondContact O-N 3.44Å; L227-G230 PolarHBondContact O-N 2.95Å; S228-G230 PolarHBondContact O-N 3.08Å; G230-L233 PolarHBondContact O-N 3.23Å; G230-T234 WeakPolarHBondContact O-CB 3.4Å; G230-T234 PolarHBondContact O-N 2.8Å; G230-T234 PolarHBondContact O-OG1 3.48Å |
| 231 | N | 82.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 35.6 Ų | 35.6 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.7 | -41 | 175.1 | -74 | -23.5 | 0 | 0 | 0 | 111.5 | L227 S228 L233 T234 S235 S275 | L227-N231 WeakPolarHBondContact O-CB 3.31Å; L227-N231 PolarHBondContact O-N 3.4Å; L227-N231 PolarHBondContact O-ND2 3.28Å; S228-N231 PolarHBondContact O-N 2.92Å; N231-L233 VanDerWaalsContact C-N 3.35Å; N231-T234 PolarHBondContact O-N 2.62Å; N231-S235 WeakPolarHBondContact O-CB 2.9Å; N231-S235 PolarHBondContact O-N 2.91Å; N231-S235 PolarHBondContact O-OG 2.95Å; N231-S275 PolarHBondContact OD1-OG 3.16Å |
| 232 | L | 81.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 172.7 | -78.4 | 166.5 | 0 | 0 | 0 | 111.2 | F174 A175 F188 F191 L207 S228 T229 T234 S235 T236 | F174-L232 HydrophobicContact CB-CD1 4.42Å; A175-L232 HydrophobicContact CB-CD1 4.43Å; F188-L232 HydrophobicContact CE1-CD2 3.81Å; F188-L232 HydrophobicContact CE2-CD2 4.35Å; F188-L232 HydrophobicContact CZ-CD1 4.47Å; F188-L232 HydrophobicContact CZ-CD2 3.49Å; F188-L232 VanDerWaalsContact CZ-CD2 3.49Å; F188-L232 HydrophobicContact CZ-CG 3.97Å; F191-L232 HydrophobicContact CD1-CD2 4.1Å; F191-L232 HydrophobicContact CE1-CD2 3.97Å; L207-L232 HydrophobicContact CD1-CB 4.37Å; L207-L232 HydrophobicContact CD2-CB 3.8Å; L207-L232 HydrophobicContact CD2-CD1 4.41Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 3.09Å; T229-L232 PolarHBondContact O-N 2.91Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 2.96Å; L232-S235 WeakPolarHBondContact CA-OG 3.31Å; L232-S235 PolarHBondContact O-N 2.77Å; L232-S235 PolarHBondContact O-OG 3.4Å; L232-T236 PolarHBondContact O-N 2.87Å; L232-T236 PolarHBondContact O-OG1 2.89Å |
| 233 | L | 85 | Confident | 84 | Confident | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 175.8 | -175.6 | 63.4 | 0 | 0 | 0 | 112.4 | V204 L207 F208 I211 T229 G230 N231 T236 L237 F246 | V204-L233 HydrophobicContact CG1-CD1 4.08Å; L207-L233 HydrophobicContact CB-CB 4.49Å; L207-L233 HydrophobicContact CB-CD1 4.12Å; L207-L233 HydrophobicContact CD1-CB 4.47Å; L207-L233 HydrophobicContact CD1-CD1 4.4Å; F208-L233 HydrophobicContact CD2-CD2 4.27Å; I211-L233 HydrophobicContact CD1-CB 4.45Å; I211-L233 HydrophobicContact CD1-CD2 3.8Å; T229-L233 PolarHBondContact O-N 2.96Å; G230-L233 PolarHBondContact O-N 3.23Å; N231-L233 VanDerWaalsContact C-N 3.35Å; L233-T236 VanDerWaalsContact C-OG1 3.24Å; L233-T236 WeakPolarHBondContact CA-OG1 3.45Å; L233-T236 PolarHBondContact O-N 3.36Å; L233-T236 PolarHBondContact O-OG1 3.3Å; L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 3.43Å; L233-F246 HydrophobicContact CD1-CE2 4.46Å |
| 234 | T | 86 | Confident | 84 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | G230 N231 L232 T236 L237 L238 P273 F276 Y283 | G230-T234 WeakPolarHBondContact O-CB 3.4Å; G230-T234 PolarHBondContact O-N 2.8Å; G230-T234 PolarHBondContact O-OG1 3.48Å; N231-T234 PolarHBondContact O-N 2.62Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 2.96Å; T234-T236 VanDerWaalsContact C-N 3.29Å; T234-T236 PolarHBondContact O-N 2.99Å; T234-L237 PolarHBondContact O-N 3.05Å; T234-L238 HydrophobicContact CG2-CD1 3.71Å; T234-L238 HydrophobicContact CG2-CG 4.22Å; T234-L238 WeakPolarHBondContact O-CB 3.17Å; T234-L238 VanDerWaalsContact O-CG 3.31Å; T234-L238 WeakPolarHBondContact O-CG 3.44Å; T234-L238 PolarHBondContact O-N 2.83Å; T234-P273 HydrophobicContact CG2-CB 4.16Å; T234-P273 HydrophobicContact CG2-CG 3.71Å; T234-P273 WeakPolarHBondContact OG1-CG 3.33Å; T234-F276 HydrophobicContact CG2-CD2 4.04Å; T234-F276 HydrophobicContact CG2-CE2 3.68Å; T234-Y283 HydrophobicContact CG2-CE2 4.34Å |
| 235 | S | 82.7 | Confident | 83.9 | Confident | 30 Ų | 30 | 24.3 Ų | 24.3 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -31.5 | 177.9 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | N231 L232 R239 | N231-S235 WeakPolarHBondContact O-CB 2.9Å; N231-S235 PolarHBondContact O-N 2.91Å; N231-S235 PolarHBondContact O-OG 2.95Å; L232-S235 WeakPolarHBondContact CA-OG 3.31Å; L232-S235 PolarHBondContact O-N 2.77Å; L232-S235 PolarHBondContact O-OG 3.4Å; S235-R239 WeakPolarHBondContact O-CG 3.37Å |
| 236 | T | 81.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.5 | -42 | 172.3 | 28.7 | 0 | 0 | 0 | 0 | 111.4 | L195 M200 L207 L232 L233 T234 G242 | L195-T236 HydrophobicContact CB-CG2 4.07Å; L195-T236 HydrophobicContact CD1-CG2 3.33Å; L195-T236 HydrophobicContact CD2-CG2 3.4Å; L195-T236 HydrophobicContact CG-CG2 3.74Å; M200-T236 HydrophobicContact CE-CG2 3.71Å; M200-T236 WeakPolarHBondContact CE-O 3.42Å; M200-T236 HydrophobicContact SD-CG2 3.7Å; L207-T236 HydrophobicContact CD1-CG2 4.29Å; L232-T236 PolarHBondContact O-N 2.87Å; L232-T236 PolarHBondContact O-OG1 2.89Å; L233-T236 VanDerWaalsContact C-OG1 3.24Å; L233-T236 WeakPolarHBondContact CA-OG1 3.45Å; L233-T236 PolarHBondContact O-N 3.36Å; L233-T236 PolarHBondContact O-OG1 3.3Å; T234-T236 VanDerWaalsContact C-N 3.29Å; T234-T236 PolarHBondContact O-N 2.99Å; T236-G242 WeakPolarHBondContact O-CA 3.36Å |
| 237 | L | 85.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | -179.8 | -172.5 | 69.4 | 0 | 0 | 0 | 112.3 | L233 T234 R239 L243 F246 I269 Y283 I287 Q290 | L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 3.43Å; T234-L237 PolarHBondContact O-N 3.05Å; L237-R239 VanDerWaalsContact C-N 3.26Å; L237-R239 PolarHBondContact O-N 3.26Å; L237-L243 HydrophobicContact CD1-CD1 4.11Å; L237-F246 HydrophobicContact CD1-CB 3.89Å; L237-F246 HydrophobicContact CD1-CD2 4.03Å; L237-F246 HydrophobicContact CD1-CG 4.03Å; L237-I269 HydrophobicContact CD2-CG1 4.38Å; L237-I269 HydrophobicContact CD2-CG2 4.34Å; L237-Y283 HydrophobicContact CD2-CE2 4.43Å; L237-Y283 WeakPolarHBondContact CD2-OH 3.33Å; L237-I287 HydrophobicContact CD2-CD1 3.75Å; L237-I287 HydrophobicContact CG-CD1 3.82Å; L237-Q290 PolarHBondContact O-NE2 3.46Å |
| 238 | L | 86.7 | Confident | 83.7 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 16% | 0.162 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -4.4 | -175.6 | -68.9 | 175.8 | 0 | 0 | 0 | 114.9 | T234 F276 Y283 N286 I287 | T234-L238 HydrophobicContact CG2-CD1 3.71Å; T234-L238 HydrophobicContact CG2-CG 4.22Å; T234-L238 WeakPolarHBondContact O-CB 3.17Å; T234-L238 VanDerWaalsContact O-CG 3.31Å; T234-L238 WeakPolarHBondContact O-CG 3.44Å; T234-L238 PolarHBondContact O-N 2.83Å; L238-F276 HydrophobicContact CD1-CD2 4.42Å; L238-F276 HydrophobicContact CD1-CE1 4.22Å; L238-F276 HydrophobicContact CD1-CE2 3.43Å; L238-F276 VanDerWaalsContact CD1-CE2 3.43Å; L238-F276 HydrophobicContact CD1-CZ 3.3Å; L238-Y283 HydrophobicContact CD1-CD2 4.19Å; L238-Y283 HydrophobicContact CD2-CD2 3.7Å; L238-Y283 HydrophobicContact CD2-CE2 3.98Å; L238-Y283 HydrophobicContact CG-CD2 4.28Å; L238-Y283 HydrophobicContact CG-CE2 4.42Å; L238-N286 WeakPolarHBondContact CA-OD1 3.43Å; L238-N286 HydrophobicContact CD2-CB 3.76Å; L238-N286 WeakPolarHBondContact CD2-OD1 3.35Å; L238-N286 PolarHBondContact O-ND2 2.94Å; L238-N286 PolarHBondContact O-OD1 3.29Å; L238-I287 HydrophobicContact CD2-CD1 4.4Å |
| 239 | R | 83.7 | Confident | 83.5 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -74.2 | 161.3 | 174.6 | -78.8 | 170.7 | -177.8 | -129.4 | 1.3 | 112.1 | Q192 D196 S235 L237 G241 G242 Q290 | Q192-R239 VanDerWaalsContact C-NH2 3.27Å; Q192-R239 VanDerWaalsContact CA-NH2 3.27Å; Q192-R239 PolarHBondContact O-NH1 3.28Å; Q192-R239 PolarHBondContact O-NH2 2.82Å; D196-R239 IonicContact OD1-CZ 3.63Å; D196-R239 IonicContact OD1-NH1 3.54Å; D196-R239 PolarHBondContact OD1-NH1 2.95Å; D196-R239 IonicContact OD2-NH1 2.61Å; D196-R239 PolarHBondContact OD2-NH1 2.94Å; S235-R239 WeakPolarHBondContact O-CG 3.37Å; L237-R239 VanDerWaalsContact C-N 3.26Å; L237-R239 PolarHBondContact O-N 3.26Å; R239-G241 PolarHBondContact O-N 3.42Å; R239-G241 VanDerWaalsContact O-N 3.08Å; R239-G242 PolarHBondContact O-N 3.46Å; R239-Q290 VanDerWaalsContact O-CD 3.22Å; R239-Q290 PolarHBondContact O-NE2 2.98Å; R239-Q290 PolarHBondContact O-OE1 2.9Å; R239-Q290 VanDerWaalsContact O-OE1 3.06Å |
| 240 | S | 81.1 | Confident | 83.1 | Confident | 120 Ų | 120 | 30 Ų | 30 | 84% | 0.839 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 113.7 | 172.5 | 44.6 | 0 | 0 | 0 | 0 | 111 | G242 | S240-G242 VanDerWaalsContact C-N 3.28Å; S240-G242 PolarHBondContact O-N 3.02Å |
| 241 | G | 80.8 | Confident | 81.9 | Confident | 29 Ų | 29 | 31 Ų | 31 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R239 L243 L244 S245 | R239-G241 PolarHBondContact O-N 3.42Å; R239-G241 VanDerWaalsContact O-N 3.08Å; G241-L243 VanDerWaalsContact C-N 3.33Å; G241-L243 PolarHBondContact O-N 3.05Å; G241-L244 PolarHBondContact O-N 2.84Å; G241-S245 PolarHBondContact O-N 3.27Å; G241-S245 PolarHBondContact O-OG 3.22Å |
| 242 | G | 85.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T236 R239 S240 S245 F246 Q290 | T236-G242 WeakPolarHBondContact O-CA 3.36Å; R239-G242 PolarHBondContact O-N 3.46Å; S240-G242 VanDerWaalsContact C-N 3.28Å; S240-G242 PolarHBondContact O-N 3.02Å; G242-S245 WeakPolarHBondContact O-CB 3.33Å; G242-S245 PolarHBondContact O-N 3.36Å; G242-F246 WeakPolarHBondContact O-CB 3.43Å; G242-F246 PolarHBondContact O-N 3.07Å; G242-Q290 VanDerWaalsContact N-OE1 3.1Å |
| 243 | L | 88.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.4 | -178.6 | 61.5 | 0 | 0 | 0 | 112.2 | L237 G241 S245 F246 I247 I269 I287 Q290 C291 I294 I311 | L237-L243 HydrophobicContact CD1-CD1 4.11Å; G241-L243 VanDerWaalsContact C-N 3.33Å; G241-L243 PolarHBondContact O-N 3.05Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 2.61Å; L243-F246 WeakPolarHBondContact O-CB 3.42Å; L243-F246 PolarHBondContact O-N 3.01Å; L243-I247 HydrophobicContact CD1-CD1 4.4Å; L243-I247 HydrophobicContact CG-CD1 4.14Å; L243-I247 WeakPolarHBondContact O-CG1 3.08Å; L243-I247 PolarHBondContact O-N 2.9Å; L243-I269 HydrophobicContact CD1-CD1 3.74Å; L243-I287 HydrophobicContact CD2-CG2 4.49Å; L243-Q290 HydrophobicContact CB-CB 3.99Å; L243-Q290 VanDerWaalsContact CB-OE1 3.3Å; L243-Q290 HydrophobicContact CD2-CB 4.07Å; L243-C291 VanDerWaalsContact CD2-SG 3.55Å; L243-I294 HydrophobicContact CD2-CD1 4.13Å; L243-I294 HydrophobicContact CG-CD1 4.22Å; L243-I311 HydrophobicContact CD1-CD1 3.86Å; L243-I311 HydrophobicContact CD2-CD1 4.49Å |
| 244 | L | 85.4 | Confident | 77.5 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.6 | -179.1 | 64.7 | 0 | 0 | 0 | 110.9 | G241 F246 I247 R248 I294 I300 F304 | G241-L244 PolarHBondContact O-N 2.84Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.24Å; L244-I247 PolarHBondContact O-N 3.45Å; L244-R248 WeakPolarHBondContact O-CB 3.37Å; L244-R248 WeakPolarHBondContact O-CG 3.44Å; L244-R248 PolarHBondContact O-N 3.08Å; L244-I294 HydrophobicContact CB-CD1 4.11Å; L244-I294 HydrophobicContact CB-CG1 4.33Å; L244-I294 HydrophobicContact CD1-CD1 4.39Å; L244-I294 HydrophobicContact CD1-CG1 4.41Å; L244-I300 HydrophobicContact CD1-CD1 3.72Å; L244-I300 HydrophobicContact CD2-CD1 4.02Å; L244-F304 HydrophobicContact CD1-CB 4.28Å; L244-F304 HydrophobicContact CD1-CD1 3.54Å; L244-F304 HydrophobicContact CD1-CD2 4.44Å; L244-F304 HydrophobicContact CD1-CE1 4Å; L244-F304 HydrophobicContact CD1-CG 3.83Å |
| 245 | S | 82.3 | Confident | 75.5 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | G241 G242 L243 R248 A249 | G241-S245 PolarHBondContact O-N 3.27Å; G241-S245 PolarHBondContact O-OG 3.22Å; G242-S245 WeakPolarHBondContact O-CB 3.33Å; G242-S245 PolarHBondContact O-N 3.36Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 2.61Å; S245-R248 PolarHBondContact O-N 3.34Å; S245-A249 WeakPolarHBondContact O-CB 3.48Å; S245-A249 PolarHBondContact O-N 3.49Å |
| 246 | F | 85.5 | Confident | 73.6 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 173.5 | -174.5 | -79.5 | 0 | 0 | 0 | 111.4 | V204 F208 L233 L237 G242 L243 L244 R248 A249 F250 L265 I269 | V204-F246 HydrophobicContact CG1-CB 4.16Å; V204-F246 HydrophobicContact CG1-CD2 3.3Å; V204-F246 HydrophobicContact CG1-CE2 3.9Å; V204-F246 HydrophobicContact CG1-CG 3.96Å; F208-F246 HydrophobicContact CD2-CE2 4.35Å; F208-F246 HydrophobicContact CD2-CZ 4.44Å; F208-F246 HydrophobicContact CE2-CZ 4.38Å; L233-F246 HydrophobicContact CD1-CE2 4.46Å; L237-F246 HydrophobicContact CD1-CB 3.89Å; L237-F246 HydrophobicContact CD1-CD2 4.03Å; L237-F246 HydrophobicContact CD1-CG 4.03Å; G242-F246 WeakPolarHBondContact O-CB 3.43Å; G242-F246 PolarHBondContact O-N 3.07Å; L243-F246 WeakPolarHBondContact O-CB 3.42Å; L243-F246 PolarHBondContact O-N 3.01Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.24Å; F246-R248 VanDerWaalsContact C-N 3.32Å; F246-R248 PolarHBondContact O-N 2.8Å; F246-A249 WeakPolarHBondContact O-CB 3.34Å; F246-A249 PolarHBondContact O-N 2.79Å; F246-F250 HydrophobicContact CD1-CD2 4.15Å; F246-F250 HydrophobicContact CD1-CE2 4.1Å; F246-F250 HydrophobicContact CD2-CE2 4.15Å; F246-F250 AromaticContact CE1-CD2 3.94Å; F246-F250 HydrophobicContact CE1-CD2 3.94Å; F246-F250 AromaticContact CE1-CE2 3.75Å; F246-F250 HydrophobicContact CE1-CE2 3.75Å; F246-F250 AromaticContact CE2-CE2 3.79Å; F246-F250 HydrophobicContact CE2-CE2 3.79Å; F246-F250 HydrophobicContact CG-CE2 4.28Å; F246-F250 HydrophobicContact CZ-CD2 4.22Å; F246-F250 AromaticContact CZ-CE2 3.58Å; F246-F250 HydrophobicContact CZ-CE2 3.58Å; F246-F250 HydrophobicContact CZ-CZ 4.38Å; F246-F250 WeakPolarHBondContact O-CD2 3.4Å; F246-L265 HydrophobicContact CE1-CB 4.19Å; F246-L265 HydrophobicContact CE1-CD2 4.16Å; F246-L265 HydrophobicContact CZ-CD2 4.14Å; F246-I269 HydrophobicContact CD1-CD1 3.86Å; F246-I269 HydrophobicContact CD1-CG1 4.45Å; F246-I269 HydrophobicContact CE1-CD1 3.73Å; F246-I269 HydrophobicContact CE1-CG1 4.07Å; F246-I269 HydrophobicContact CZ-CD1 4.43Å; F246-I269 HydrophobicContact CZ-CG1 4.28Å |
| 247 | I | 82.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.9 | -61.7 | 162.5 | 0 | 0 | 0 | 110.7 | L243 L244 A249 F250 G251 L252 M262 I294 F304 A307 I311 | L243-I247 HydrophobicContact CD1-CD1 4.4Å; L243-I247 HydrophobicContact CG-CD1 4.14Å; L243-I247 WeakPolarHBondContact O-CG1 3.08Å; L243-I247 PolarHBondContact O-N 2.9Å; L244-I247 PolarHBondContact O-N 3.45Å; I247-A249 VanDerWaalsContact C-N 3.33Å; I247-A249 PolarHBondContact O-N 3.06Å; I247-F250 PolarHBondContact O-N 3.46Å; I247-G251 PolarHBondContact O-N 3.2Å; I247-L252 HydrophobicContact CG2-CD1 4.35Å; I247-M262 HydrophobicContact CG1-CE 4.35Å; I247-I294 HydrophobicContact CD1-CD1 4.26Å; I247-F304 HydrophobicContact CB-CD1 4.08Å; I247-F304 HydrophobicContact CB-CE1 4.42Å; I247-F304 HydrophobicContact CG2-CD1 3.51Å; I247-F304 HydrophobicContact CG2-CE1 3.93Å; I247-A307 HydrophobicContact CD1-CB 3.95Å; I247-A307 HydrophobicContact CG1-CB 4.15Å; I247-A307 HydrophobicContact CG2-CB 3.61Å; I247-I311 HydrophobicContact CD1-CD1 4.44Å |
| 248 | R | 81.3 | Confident | 70.7 | Confident | 131 Ų | 131 | 53.7 Ų | 53.7 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174.9 | -77.6 | 178.6 | 177.3 | 177.5 | -3.5 | 112.7 | P201 L244 S245 F246 F250 G251 F304 | P201-R248 HydrophobicContact CB-CB 4.18Å; P201-R248 HydrophobicContact CG-CB 4.01Å; L244-R248 WeakPolarHBondContact O-CB 3.37Å; L244-R248 WeakPolarHBondContact O-CG 3.44Å; L244-R248 PolarHBondContact O-N 3.08Å; S245-R248 PolarHBondContact O-N 3.34Å; F246-R248 VanDerWaalsContact C-N 3.32Å; F246-R248 PolarHBondContact O-N 2.8Å; R248-F250 PolarHBondContact O-N 3.26Å; R248-G251 PolarHBondContact O-N 3.04Å; R248-G251 VanDerWaalsContact O-N 3.1Å; R248-F304 HydrophobicContact CB-CE1 4.39Å; R248-F304 HydrophobicContact CG-CE1 3.41Å; R248-F304 VanDerWaalsContact CG-CE1 3.41Å; R248-F304 HydrophobicContact CG-CZ 3.59Å |
| 249 | A | 78.9 | Confident | 69.4 | Low | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -33.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P201 V204 K205 S245 F246 I247 | P201-A249 HydrophobicContact CB-CB 4.14Å; P201-A249 WeakPolarHBondContact O-CB 3.44Å; V204-A249 HydrophobicContact CB-CB 4.11Å; V204-A249 HydrophobicContact CG1-CB 4.04Å; K205-A249 HydrophobicContact CB-CB 4.25Å; S245-A249 WeakPolarHBondContact O-CB 3.48Å; S245-A249 PolarHBondContact O-N 3.49Å; F246-A249 WeakPolarHBondContact O-CB 3.34Å; F246-A249 PolarHBondContact O-N 2.79Å; I247-A249 VanDerWaalsContact C-N 3.33Å; I247-A249 PolarHBondContact O-N 3.06Å |
| 250 | F | 75.3 | Confident | 68.6 | Low | 58 Ų | 58 | 59.6 Ų | 59.6 | 25% | 0.254 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.4 | -177.9 | -60.1 | -75.1 | 0 | 0 | 0 | 113.9 | V204 F208 F246 I247 R248 L265 | V204-F250 HydrophobicContact CG1-CE2 4.04Å; V204-F250 HydrophobicContact CG1-CZ 4.5Å; F208-F250 HydrophobicContact CB-CE1 4.36Å; F208-F250 HydrophobicContact CB-CZ 3.75Å; F208-F250 HydrophobicContact CD1-CE1 4.06Å; F208-F250 HydrophobicContact CD1-CZ 4.01Å; F208-F250 AromaticContact CD2-CZ 3.86Å; F208-F250 HydrophobicContact CD2-CZ 3.86Å; F208-F250 HydrophobicContact CE2-CZ 4.44Å; F208-F250 HydrophobicContact CG-CE1 4.13Å; F208-F250 AromaticContact CG-CZ 3.61Å; F208-F250 HydrophobicContact CG-CZ 3.61Å; F246-F250 HydrophobicContact CD1-CD2 4.15Å; F246-F250 HydrophobicContact CD1-CE2 4.1Å; F246-F250 HydrophobicContact CD2-CE2 4.15Å; F246-F250 AromaticContact CE1-CD2 3.94Å; F246-F250 HydrophobicContact CE1-CD2 3.94Å; F246-F250 AromaticContact CE1-CE2 3.75Å; F246-F250 HydrophobicContact CE1-CE2 3.75Å; F246-F250 AromaticContact CE2-CE2 3.79Å; F246-F250 HydrophobicContact CE2-CE2 3.79Å; F246-F250 HydrophobicContact CG-CE2 4.28Å; F246-F250 HydrophobicContact CZ-CD2 4.22Å; F246-F250 AromaticContact CZ-CE2 3.58Å; F246-F250 HydrophobicContact CZ-CE2 3.58Å; F246-F250 HydrophobicContact CZ-CZ 4.38Å; F246-F250 WeakPolarHBondContact O-CD2 3.4Å; I247-F250 PolarHBondContact O-N 3.46Å; R248-F250 PolarHBondContact O-N 3.26Å; F250-L265 HydrophobicContact CB-CD1 3.58Å; F250-L265 HydrophobicContact CD1-CD1 4.39Å; F250-L265 HydrophobicContact CD1-CD2 4.13Å; F250-L265 HydrophobicContact CD2-CD1 3.91Å; F250-L265 HydrophobicContact CD2-CD2 3.87Å; F250-L265 HydrophobicContact CE1-CD2 4.2Å; F250-L265 HydrophobicContact CE2-CD2 3.97Å; F250-L265 HydrophobicContact CG-CD1 3.69Å; F250-L265 HydrophobicContact CG-CD2 3.98Å; F250-L265 HydrophobicContact CZ-CD2 4.13Å |
| 251 | G | 59.3 | Low | 68.1 | Low | 44 Ų | 44 | 62.1 Ų | 62.1 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 60.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I247 R248 T253 R258 | I247-G251 PolarHBondContact O-N 3.2Å; R248-G251 PolarHBondContact O-N 3.04Å; R248-G251 VanDerWaalsContact O-N 3.1Å; G251-T253 PolarHBondContact O-N 3.29Å; G251-R258 PolarHBondContact O-NH1 3.46Å; G251-R258 VanDerWaalsContact O-NH1 3.08Å |
| 252 | L | 58.4 | Low | 67.8 | Low | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -95.8 | 79.4 | 179.6 | -63.3 | 162.7 | 0 | 0 | 0 | 110.4 | I247 R258 M262 L265 A303 A307 | I247-L252 HydrophobicContact CG2-CD1 4.35Å; L252-R258 HydrophobicContact CD2-CB 3.91Å; L252-R258 HydrophobicContact CD2-CG 4.19Å; L252-M262 HydrophobicContact CD1-CB 4.11Å; L252-M262 HydrophobicContact CD1-CG 4.06Å; L252-M262 HydrophobicContact CD1-SD 3.13Å; L252-M262 WeakPolarHBondContact CD1-SD 3.41Å; L252-L265 HydrophobicContact CD1-CD1 4.39Å; L252-A303 WeakPolarHBondContact O-CB 3.39Å; L252-A307 HydrophobicContact CD1-CB 4.5Å | ||
| 253 | T | 47.9 | Very low | 67.3 | Low | 80 Ų | 80 | 62.1 Ų | 62.1 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | trans | -76.6 | 154.3 | 154.7 | 59 | 0 | 0 | 0 | 0 | 111.2 | G251 E255 R258 | G251-T253 PolarHBondContact O-N 3.29Å; T253-E255 PolarHBondContact O-N 3.43Å; T253-R258 VanDerWaalsContact C-NH1 3.28Å; T253-R258 VanDerWaalsContact CA-NH1 3.25Å; T253-R258 WeakPolarHBondContact O-CD 3.08Å; T253-R258 VanDerWaalsContact O-CZ 3.25Å; T253-R258 PolarHBondContact O-NE 3.25Å; T253-R258 PolarHBondContact O-NH1 2.86Å; T253-R258 PolarHBondContact OG1-NH1 3.22Å; T253-R258 PolarHBondContact OG1-NH2 2.88Å | ||
| 254 | A | 48.7 | Very low | 66.9 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 74% | 0.736 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -79.5 | 63.2 | -158.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | A303 | A254-A303 HydrophobicContact CB-CB 4.38Š|
| 255 | E | 43.6 | Very low | 66.6 | Low | 141 Ų | 141 | 70.3 Ų | 70.3 | 66% | 0.659 | 39% | 0.386 | S | S | * | . | trans | -113 | 139.3 | 170.2 | -71.2 | -175.8 | 175 | 0 | 0 | 113.1 | T253 G257 R258 | T253-E255 PolarHBondContact O-N 3.43Å; E255-G257 PolarHBondContact O-N 3.13Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 WeakPolarHBondContact O-CG 3.39Å; E255-R258 PolarHBondContact O-N 3.32Å; E255-R258 VanDerWaalsContact O-N 3.07Å | ||
| 256 | D | 44.4 | Very low | 66.5 | Low | 165 Ų | 165 | 69.4 Ų | 69.4 | 88% | 0.882 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -56.1 | -19.5 | -158.7 | -63.8 | -43 | 0 | 0 | 0 | 117.1 | R258 | D256-R258 PolarHBondContact O-N 3.44Š|
| 257 | G | 50.4 | Low | 66.3 | Low | 65 Ų | 65 | 71.6 Ų | 71.6 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -74.9 | -3.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | E255 | E255-G257 PolarHBondContact O-N 3.13Š|
| 258 | R | 55.5 | Low | 66.2 | Low | 63 Ų | 63 | 74.6 Ų | 74.6 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -95.2 | -18.8 | -168.5 | -71.9 | 174.2 | -167.3 | -165.4 | 6.4 | 115.6 | G251 L252 T253 E255 D256 N260 R261 M262 | G251-R258 PolarHBondContact O-NH1 3.46Å; G251-R258 VanDerWaalsContact O-NH1 3.08Å; L252-R258 HydrophobicContact CD2-CB 3.91Å; L252-R258 HydrophobicContact CD2-CG 4.19Å; T253-R258 VanDerWaalsContact C-NH1 3.28Å; T253-R258 VanDerWaalsContact CA-NH1 3.25Å; T253-R258 WeakPolarHBondContact O-CD 3.08Å; T253-R258 VanDerWaalsContact O-CZ 3.25Å; T253-R258 PolarHBondContact O-NE 3.25Å; T253-R258 PolarHBondContact O-NH1 2.86Å; T253-R258 PolarHBondContact OG1-NH1 3.22Å; T253-R258 PolarHBondContact OG1-NH2 2.88Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 WeakPolarHBondContact O-CG 3.39Å; E255-R258 PolarHBondContact O-N 3.32Å; E255-R258 VanDerWaalsContact O-N 3.07Å; D256-R258 PolarHBondContact O-N 3.44Å; R258-N260 VanDerWaalsContact C-N 3.27Å; R258-N260 PolarHBondContact O-N 3.42Å; R258-R261 PolarHBondContact O-N 3.19Å; R258-M262 PolarHBondContact O-N 3.47Å |
| 259 | S | 58.6 | Low | 66.4 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 51% | 0.51 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 178.2 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | R261 M262 A263 | S259-R261 PolarHBondContact O-N 3.39Å; S259-M262 PolarHBondContact O-N 3.4Å; S259-A263 WeakPolarHBondContact O-CB 3.15Å; S259-A263 PolarHBondContact O-N 3.42Å |
| 260 | N | 66.4 | Low | 66.6 | Low | 127 Ų | 127 | 68.4 Ų | 68.4 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | 175.5 | -81.7 | -11.5 | 0 | 0 | 0 | 113.5 | R258 K264 | R258-N260 VanDerWaalsContact C-N 3.27Å; R258-N260 PolarHBondContact O-N 3.42Å; N260-K264 WeakPolarHBondContact O-CG 3.34Å; N260-K264 PolarHBondContact O-N 2.85Å |
| 261 | R | 70.6 | Confident | 67 | Low | 174 Ų | 174 | 75 Ų | 75 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -71.5 | -40.5 | 174.4 | -66.4 | -172.6 | -168.5 | 178.2 | 4 | 110.6 | R258 S259 K264 L265 | R258-R261 PolarHBondContact O-N 3.19Å; S259-R261 PolarHBondContact O-N 3.39Å; R261-K264 PolarHBondContact O-N 3.47Å; R261-L265 WeakPolarHBondContact O-CG 3.28Å; R261-L265 PolarHBondContact O-N 2.9Å |
| 262 | M | 75.2 | Confident | 68 | Low | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.034 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 176.3 | -170 | 58.8 | -159.9 | 0 | 0 | 111.6 | I247 L252 R258 S259 K264 L265 A266 A307 V310 I311 | I247-M262 HydrophobicContact CG1-CE 4.35Å; L252-M262 HydrophobicContact CD1-CB 4.11Å; L252-M262 HydrophobicContact CD1-CG 4.06Å; L252-M262 HydrophobicContact CD1-SD 3.13Å; L252-M262 WeakPolarHBondContact CD1-SD 3.41Å; R258-M262 PolarHBondContact O-N 3.47Å; S259-M262 PolarHBondContact O-N 3.4Å; M262-K264 VanDerWaalsContact C-N 3.32Å; M262-K264 PolarHBondContact O-N 3.34Å; M262-L265 CarbonylContact O-C 3.58Å; M262-L265 PolarHBondContact O-N 3.4Å; M262-L265 VanDerWaalsContact O-N 3.17Å; M262-L265 HydrophobicContact SD-CB 4.31Å; M262-L265 HydrophobicContact SD-CD1 4.44Å; M262-A266 VanDerWaalsContact O-CB 3.24Å; M262-A266 WeakPolarHBondContact O-CB 3.49Å; M262-A266 PolarHBondContact O-N 3.48Å; M262-A307 HydrophobicContact CE-CB 3.67Å; M262-A307 WeakPolarHBondContact CE-O 3.47Å; M262-A307 HydrophobicContact CG-CB 4.21Å; M262-A307 HydrophobicContact SD-CB 3.83Å; M262-V310 HydrophobicContact CB-CB 4.39Å; M262-V310 HydrophobicContact CB-CG1 4.11Å; M262-V310 HydrophobicContact CB-CG2 4.4Å; M262-V310 HydrophobicContact CG-CB 3.73Å; M262-V310 HydrophobicContact CG-CG1 3.78Å; M262-V310 HydrophobicContact CG-CG2 4.11Å; M262-I311 HydrophobicContact CE-CD1 3.48Å; M262-I311 VanDerWaalsContact CE-CD1 3.48Å; M262-I311 HydrophobicContact CE-CG1 3.47Å; M262-I311 VanDerWaalsContact CE-CG1 3.47Å |
| 263 | A | 75 | Confident | 69.1 | Low | 23 Ų | 23 | 74.1 Ų | 74.1 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | S259 L265 A266 A267 V310 E314 | S259-A263 WeakPolarHBondContact O-CB 3.15Å; S259-A263 PolarHBondContact O-N 3.42Å; A263-L265 PolarHBondContact O-N 3.2Å; A263-A266 PolarHBondContact O-N 3.43Å; A263-A267 WeakPolarHBondContact O-CB 3.46Å; A263-A267 PolarHBondContact O-N 3.2Å; A263-V310 HydrophobicContact CB-CG1 4.24Å; A263-E314 HydrophobicContact CB-CG 4.45Å |
| 264 | K | 79.3 | Confident | 70.5 | Confident | 160 Ų | 160 | 76.4 Ų | 76.4 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 174 | -71.7 | 176.5 | -177.7 | -176.3 | 0 | 112.7 | N260 R261 M262 A267 V268 | N260-K264 WeakPolarHBondContact O-CG 3.34Å; N260-K264 PolarHBondContact O-N 2.85Å; R261-K264 PolarHBondContact O-N 3.47Å; M262-K264 VanDerWaalsContact C-N 3.32Å; M262-K264 PolarHBondContact O-N 3.34Å; K264-A267 PolarHBondContact O-N 3.08Å; K264-V268 PolarHBondContact O-N 2.92Å |
| 265 | L | 78.8 | Confident | 71.8 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 176.9 | -72.1 | 172.1 | 0 | 0 | 0 | 111.8 | F208 F246 F250 L252 R261 M262 A263 A267 V268 I269 | F208-L265 HydrophobicContact CE2-CD2 4.34Å; F208-L265 HydrophobicContact CZ-CD2 4.19Å; F246-L265 HydrophobicContact CE1-CB 4.19Å; F246-L265 HydrophobicContact CE1-CD2 4.16Å; F246-L265 HydrophobicContact CZ-CD2 4.14Å; F250-L265 HydrophobicContact CB-CD1 3.58Å; F250-L265 HydrophobicContact CD1-CD1 4.39Å; F250-L265 HydrophobicContact CD1-CD2 4.13Å; F250-L265 HydrophobicContact CD2-CD1 3.91Å; F250-L265 HydrophobicContact CD2-CD2 3.87Å; F250-L265 HydrophobicContact CE1-CD2 4.2Å; F250-L265 HydrophobicContact CE2-CD2 3.97Å; F250-L265 HydrophobicContact CG-CD1 3.69Å; F250-L265 HydrophobicContact CG-CD2 3.98Å; F250-L265 HydrophobicContact CZ-CD2 4.13Å; L252-L265 HydrophobicContact CD1-CD1 4.39Å; R261-L265 WeakPolarHBondContact O-CG 3.28Å; R261-L265 PolarHBondContact O-N 2.9Å; M262-L265 CarbonylContact O-C 3.58Å; M262-L265 PolarHBondContact O-N 3.4Å; M262-L265 VanDerWaalsContact O-N 3.17Å; M262-L265 HydrophobicContact SD-CB 4.31Å; M262-L265 HydrophobicContact SD-CD1 4.44Å; A263-L265 PolarHBondContact O-N 3.2Å; L265-A267 VanDerWaalsContact C-N 3.3Å; L265-A267 PolarHBondContact O-N 3.45Å; L265-V268 WeakPolarHBondContact O-CB 3.3Å; L265-V268 PolarHBondContact O-N 3.4Å; L265-V268 VanDerWaalsContact O-N 3.08Å; L265-I269 PolarHBondContact O-N 3.16Å; L265-I269 VanDerWaalsContact O-N 3.16Å |
| 266 | A | 81.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M262 A263 V268 I269 I270 V310 I311 E314 | M262-A266 VanDerWaalsContact O-CB 3.24Å; M262-A266 WeakPolarHBondContact O-CB 3.49Å; M262-A266 PolarHBondContact O-N 3.48Å; A263-A266 PolarHBondContact O-N 3.43Å; A266-V268 PolarHBondContact O-N 2.91Å; A266-I269 CarbonylContact O-C 3.58Å; A266-I269 PolarHBondContact O-N 3.1Å; A266-I270 HydrophobicContact CB-CD1 4.18Å; A266-I270 WeakPolarHBondContact O-CB 3.3Å; A266-I270 WeakPolarHBondContact O-CD1 3.19Å; A266-I270 WeakPolarHBondContact O-CG1 3.42Å; A266-I270 PolarHBondContact O-N 3.19Å; A266-V310 HydrophobicContact CB-CG1 4.19Å; A266-I311 HydrophobicContact CB-CB 4.44Å; A266-I311 HydrophobicContact CB-CG1 3.89Å; A266-E314 HydrophobicContact CB-CB 4.11Å; A266-E314 HydrophobicContact CB-CG 4.05Å |
| 267 | A | 80.4 | Confident | 75.2 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.9 | -30.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A263 K264 L265 R271 | A263-A267 WeakPolarHBondContact O-CB 3.46Å; A263-A267 PolarHBondContact O-N 3.2Å; K264-A267 PolarHBondContact O-N 3.08Å; L265-A267 VanDerWaalsContact C-N 3.3Å; L265-A267 PolarHBondContact O-N 3.45Å; A267-R271 PolarHBondContact O-N 3.41Å |
| 268 | V | 81.4 | Confident | 76.7 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | F208 K264 L265 A266 I270 | F208-V268 HydrophobicContact CE2-CB 4.31Å; F208-V268 HydrophobicContact CE2-CG1 3.99Å; F208-V268 HydrophobicContact CE2-CG2 3.97Å; F208-V268 HydrophobicContact CZ-CG2 4.07Å; K264-V268 PolarHBondContact O-N 2.92Å; L265-V268 WeakPolarHBondContact O-CB 3.3Å; L265-V268 PolarHBondContact O-N 3.4Å; L265-V268 VanDerWaalsContact O-N 3.08Å; A266-V268 PolarHBondContact O-N 2.91Å; V268-I270 VanDerWaalsContact C-N 3.34Å |
| 269 | I | 84.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.5 | -64.4 | 165.5 | 0 | 0 | 0 | 111 | L237 L243 F246 L265 A266 R271 Y283 I287 I311 | L237-I269 HydrophobicContact CD2-CG1 4.38Å; L237-I269 HydrophobicContact CD2-CG2 4.34Å; L243-I269 HydrophobicContact CD1-CD1 3.74Å; F246-I269 HydrophobicContact CD1-CD1 3.86Å; F246-I269 HydrophobicContact CD1-CG1 4.45Å; F246-I269 HydrophobicContact CE1-CD1 3.73Å; F246-I269 HydrophobicContact CE1-CG1 4.07Å; F246-I269 HydrophobicContact CZ-CD1 4.43Å; F246-I269 HydrophobicContact CZ-CG1 4.28Å; L265-I269 PolarHBondContact O-N 3.16Å; L265-I269 VanDerWaalsContact O-N 3.16Å; A266-I269 CarbonylContact O-C 3.58Å; A266-I269 PolarHBondContact O-N 3.1Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 3.41Å; I269-Y283 VanDerWaalsContact O-CE1 3.27Å; I269-Y283 WeakPolarHBondContact O-CE1 3.39Å; I269-Y283 PolarHBondContact O-OH 3.46Å; I269-I287 HydrophobicContact CG2-CD1 4.2Å; I269-I287 HydrophobicContact CG2-CG1 4.43Å; I269-I287 HydrophobicContact CG2-CG2 4.04Å; I269-I311 HydrophobicContact CD1-CD1 3.69Å; I269-I311 HydrophobicContact CD1-CG1 4.15Å; I269-I311 HydrophobicContact CG2-CG2 4.35Å |
| 270 | I | 83.6 | Confident | 79.5 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.5 | -28.1 | -174.8 | -70.2 | 159.7 | 0 | 0 | 0 | 111.8 | A266 V268 C272 Y284 E314 L315 Y320 | A266-I270 HydrophobicContact CB-CD1 4.18Å; A266-I270 WeakPolarHBondContact O-CB 3.3Å; A266-I270 WeakPolarHBondContact O-CD1 3.19Å; A266-I270 WeakPolarHBondContact O-CG1 3.42Å; A266-I270 PolarHBondContact O-N 3.19Å; V268-I270 VanDerWaalsContact C-N 3.34Å; I270-C272 PolarHBondContact O-N 2.78Å; I270-Y284 WeakPolarHBondContact O-CE1 3.5Å; I270-Y284 PolarHBondContact O-OH 3.02Å; I270-E314 HydrophobicContact CD1-CB 3.17Å; I270-E314 HydrophobicContact CD1-CG 4.47Å; I270-L315 HydrophobicContact CB-CD1 4.42Å; I270-L315 HydrophobicContact CD1-CB 4.06Å; I270-L315 HydrophobicContact CG1-CB 3.97Å; I270-L315 HydrophobicContact CG1-CD1 4.15Å; I270-L315 HydrophobicContact CG2-CD1 3.74Å; I270-Y320 HydrophobicContact CG2-CD2 3.78Å; I270-Y320 HydrophobicContact CG2-CE2 4.37Å |
| 271 | R | 82.3 | Confident | 80.4 | Confident | 195 Ų | 195 | 73.6 Ų | 73.6 | 74% | 0.736 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -74 | 104.5 | 179.1 | -169 | 177.6 | -91 | -163.7 | -5.4 | 109.5 | A267 I269 | A267-R271 PolarHBondContact O-N 3.41Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 3.41Å |
| 272 | C | 80.2 | Confident | 81.3 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | trans | -53.3 | 125.4 | -178.9 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | I270 Y284 | I270-C272 PolarHBondContact O-N 2.78Å; C272-Y284 HydrophobicContact CB-CE2 4.38Å | ||
| 273 | P | 81.9 | Confident | 82 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | trans | -61 | 152.1 | 178 | -23.9 | 33.8 | 0 | 0 | 0 | 112.4 | T234 S275 F276 R277 Y283 | T234-P273 HydrophobicContact CG2-CB 4.16Å; T234-P273 HydrophobicContact CG2-CG 3.71Å; T234-P273 WeakPolarHBondContact OG1-CG 3.33Å; P273-S275 PolarHBondContact O-N 3.29Å; P273-S275 VanDerWaalsContact O-N 3.16Å; P273-F276 HydrophobicContact CB-CD2 4.44Å; P273-F276 PolarHBondContact O-N 3.47Å; P273-R277 PolarHBondContact O-N 3.01Å; P273-Y283 HydrophobicContact CG-CD2 4.14Å; P273-Y283 HydrophobicContact CG-CE2 3.76Å | ||
| 274 | Q | 77.2 | Confident | 82.8 | Confident | 128 Ų | 128 | 68.8 Ų | 68.8 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -58.6 | -31.6 | 178.8 | -71.6 | -167.9 | -5.9 | 0 | 0 | 112.9 | L227 F276 R277 | L227-Q274 VanDerWaalsContact CD2-OE1 3.25Å; Q274-F276 PolarHBondContact O-N 2.64Å; Q274-R277 WeakPolarHBondContact O-CB 3.41Å; Q274-R277 PolarHBondContact O-N 2.92Å |
| 275 | S | 76.9 | Confident | 83.3 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.8 | -25.5 | 175.5 | 43.9 | 0 | 0 | 0 | 0 | 113.6 | N231 P273 | N231-S275 PolarHBondContact OD1-OG 3.16Å; P273-S275 PolarHBondContact O-N 3.29Å; P273-S275 VanDerWaalsContact O-N 3.16Å |
| 276 | F | 81.5 | Confident | 83.9 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -106.1 | 10 | -179.9 | -73.7 | -89.3 | 0 | 0 | 0 | 113.5 | T234 L238 P273 Q274 N278 K279 P280 E282 Y283 | T234-F276 HydrophobicContact CG2-CD2 4.04Å; T234-F276 HydrophobicContact CG2-CE2 3.68Å; L238-F276 HydrophobicContact CD1-CD2 4.42Å; L238-F276 HydrophobicContact CD1-CE1 4.22Å; L238-F276 HydrophobicContact CD1-CE2 3.43Å; L238-F276 VanDerWaalsContact CD1-CE2 3.43Å; L238-F276 HydrophobicContact CD1-CZ 3.3Å; P273-F276 HydrophobicContact CB-CD2 4.44Å; P273-F276 PolarHBondContact O-N 3.47Å; Q274-F276 PolarHBondContact O-N 2.64Å; F276-N278 PolarHBondContact O-N 3.32Å; F276-K279 CarbonylContact O-C 3.53Å; F276-K279 PolarHBondContact O-N 2.81Å; F276-P280 WeakPolarHBondContact O-CD 3.47Å; F276-E282 HydrophobicContact CD1-CB 4.49Å; F276-E282 HydrophobicContact CE1-CB 4.41Å; F276-Y283 HydrophobicContact CD2-CD2 4.26Å; F276-Y283 HydrophobicContact CG-CD2 4.42Å |
| 277 | R | 78 | Confident | 84.3 | Confident | 202 Ų | 202 | 64.9 Ų | 64.9 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.1 | -176.9 | -165.6 | 178 | -174.2 | -178.9 | 1.3 | 113.7 | P273 Q274 | P273-R277 PolarHBondContact O-N 3.01Å; Q274-R277 WeakPolarHBondContact O-CB 3.41Å; Q274-R277 PolarHBondContact O-N 2.92Å |
| 278 | N | 80.9 | Confident | 84.8 | Confident | 156 Ų | 156 | 62.5 Ų | 62.5 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -19.6 | 178.8 | -62.9 | -16.5 | 0 | 0 | 0 | 113.3 | F276 | F276-N278 PolarHBondContact O-N 3.32Š|
| 279 | K | 86.5 | Confident | 85.2 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | trans | -139.6 | 60.8 | -177.9 | -63.9 | -167.6 | 178.9 | -176.1 | 0 | 112.1 | F276 S281 E282 | F276-K279 CarbonylContact O-C 3.53Å; F276-K279 PolarHBondContact O-N 2.81Å; K279-S281 PolarHBondContact O-N 3.45Å; K279-E282 HydrophobicContact CB-CG 4.39Å; K279-E282 VanDerWaalsContact CD-CD 3.42Å; K279-E282 HydrophobicContact CD-CG 4.35Å; K279-E282 WeakPolarHBondContact CD-OE1 3.27Å; K279-E282 WeakPolarHBondContact CD-OE2 3.39Å; K279-E282 IonicContact NZ-OE1 2.86Å; K279-E282 PolarHBondContact NZ-OE1 3.2Å; K279-E282 IonicContact NZ-OE2 3.69Å; K279-E282 PolarHBondContact O-N 3.47Å | ||
| 280 | P | 85.9 | Confident | 85.6 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -28.2 | 179.8 | 22.7 | -34.3 | 0 | 0 | 0 | 113.1 | F276 E282 Y283 Y284 Y323 | F276-P280 WeakPolarHBondContact O-CD 3.47Å; P280-E282 PolarHBondContact O-N 2.89Å; P280-Y283 PolarHBondContact O-N 3.49Å; P280-Y284 HydrophobicContact CB-CD2 4.23Å; P280-Y284 HydrophobicContact CB-CE2 3.99Å; P280-Y284 WeakPolarHBondContact O-CD2 3.25Å; P280-Y284 PolarHBondContact O-N 3.29Å; P280-Y323 HydrophobicContact CB-CE1 4.39Å; P280-Y323 HydrophobicContact CB-CE2 4.28Å; P280-Y323 HydrophobicContact CG-CE1 4.34Å; P280-Y323 WeakPolarHBondContact CG-OH 3.32Å |
| 281 | S | 86.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | K279 Y283 Y284 N285 | K279-S281 PolarHBondContact O-N 3.45Å; S281-Y283 VanDerWaalsContact C-N 3.31Å; S281-Y283 PolarHBondContact O-N 3.4Å; S281-Y284 PolarHBondContact O-N 3.41Å; S281-N285 WeakPolarHBondContact O-CB 3.21Å; S281-N285 PolarHBondContact O-N 2.97Å |
| 282 | E | 88.8 | Confident | 86 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.3 | -72.5 | 179.1 | -176.8 | 0 | 0 | 111 | F276 K279 P280 N286 | F276-E282 HydrophobicContact CD1-CB 4.49Å; F276-E282 HydrophobicContact CE1-CB 4.41Å; K279-E282 HydrophobicContact CB-CG 4.39Å; K279-E282 VanDerWaalsContact CD-CD 3.42Å; K279-E282 HydrophobicContact CD-CG 4.35Å; K279-E282 WeakPolarHBondContact CD-OE1 3.27Å; K279-E282 WeakPolarHBondContact CD-OE2 3.39Å; K279-E282 IonicContact NZ-OE1 2.86Å; K279-E282 PolarHBondContact NZ-OE1 3.2Å; K279-E282 IonicContact NZ-OE2 3.69Å; K279-E282 PolarHBondContact O-N 3.47Å; P280-E282 PolarHBondContact O-N 2.89Å; E282-N286 PolarHBondContact O-N 3.25Å |
| 283 | Y | 91 | Very high | 86.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -54.9 | 176.6 | 176.7 | -97.4 | 0 | 0 | 0 | 111.7 | T234 L237 L238 I269 P273 F276 P280 S281 N285 N286 I287 | T234-Y283 HydrophobicContact CG2-CE2 4.34Å; L237-Y283 HydrophobicContact CD2-CE2 4.43Å; L237-Y283 WeakPolarHBondContact CD2-OH 3.33Å; L238-Y283 HydrophobicContact CD1-CD2 4.19Å; L238-Y283 HydrophobicContact CD2-CD2 3.7Å; L238-Y283 HydrophobicContact CD2-CE2 3.98Å; L238-Y283 HydrophobicContact CG-CD2 4.28Å; L238-Y283 HydrophobicContact CG-CE2 4.42Å; I269-Y283 VanDerWaalsContact O-CE1 3.27Å; I269-Y283 WeakPolarHBondContact O-CE1 3.39Å; I269-Y283 PolarHBondContact O-OH 3.46Å; P273-Y283 HydrophobicContact CG-CD2 4.14Å; P273-Y283 HydrophobicContact CG-CE2 3.76Å; F276-Y283 HydrophobicContact CD2-CD2 4.26Å; F276-Y283 HydrophobicContact CG-CD2 4.42Å; P280-Y283 PolarHBondContact O-N 3.49Å; S281-Y283 VanDerWaalsContact C-N 3.31Å; S281-Y283 PolarHBondContact O-N 3.4Å; Y283-N285 VanDerWaalsContact C-N 3.34Å; Y283-N285 PolarHBondContact O-N 3.21Å; Y283-N286 PolarHBondContact O-N 3.17Å; Y283-I287 HydrophobicContact CD1-CG1 4.44Å; Y283-I287 HydrophobicContact CE1-CG1 4.02Å; Y283-I287 HydrophobicContact CE2-CD1 4.46Å; Y283-I287 HydrophobicContact CE2-CG1 4.36Å; Y283-I287 WeakPolarHBondContact O-CG1 3.36Å; Y283-I287 PolarHBondContact O-N 3.49Å; Y283-I287 VanDerWaalsContact O-N 3.13Å |
| 284 | Y | 90.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -35.9 | -177.4 | -67.3 | -62.6 | 0 | 0 | 0 | 112.1 | I270 C272 P280 S281 N286 I287 L288 L315 Y320 Y323 | I270-Y284 WeakPolarHBondContact O-CE1 3.5Å; I270-Y284 PolarHBondContact O-OH 3.02Å; C272-Y284 HydrophobicContact CB-CE2 4.38Å; P280-Y284 HydrophobicContact CB-CD2 4.23Å; P280-Y284 HydrophobicContact CB-CE2 3.99Å; P280-Y284 WeakPolarHBondContact O-CD2 3.25Å; P280-Y284 PolarHBondContact O-N 3.29Å; S281-Y284 PolarHBondContact O-N 3.41Å; Y284-N286 VanDerWaalsContact C-N 3.32Å; Y284-N286 PolarHBondContact O-N 3.4Å; Y284-I287 PolarHBondContact O-N 3.4Å; Y284-L288 WeakPolarHBondContact O-CB 3.35Å; Y284-L288 WeakPolarHBondContact O-CG 3.28Å; Y284-L288 PolarHBondContact O-N 2.91Å; Y284-L315 HydrophobicContact CD1-CD1 3.92Å; Y284-L315 HydrophobicContact CD1-CD2 4.34Å; Y284-L315 HydrophobicContact CE1-CD1 3.62Å; Y284-Y320 HydrophobicContact CE2-CD1 4.23Å; Y284-Y320 HydrophobicContact CE2-CG 4.31Å; Y284-Y320 AromaticContact CZ-CG 3.88Å; Y284-Y320 WeakPolarHBondContact OH-CD1 3.13Å; Y284-Y320 WeakPolarHBondContact OH-CD2 3.28Å; Y284-Y323 AromaticContact CD2-CD1 3.89Å; Y284-Y323 HydrophobicContact CD2-CD1 3.89Å; Y284-Y323 AromaticContact CD2-CD2 3.34Å; Y284-Y323 HydrophobicContact CD2-CD2 3.34Å; Y284-Y323 HydrophobicContact CD2-CE1 4.33Å; Y284-Y323 AromaticContact CD2-CE2 3.83Å; Y284-Y323 HydrophobicContact CD2-CE2 3.83Å; Y284-Y323 AromaticContact CD2-CG 3.39Å; Y284-Y323 HydrophobicContact CD2-CG 3.39Å; Y284-Y323 AromaticContact CE2-CD2 3.47Å; Y284-Y323 HydrophobicContact CE2-CD2 3.47Å; Y284-Y323 VanDerWaalsContact CE2-CD2 3.47Å; Y284-Y323 AromaticContact CE2-CE2 3.7Å; Y284-Y323 HydrophobicContact CE2-CE2 3.7Å; Y284-Y323 HydrophobicContact CE2-CG 4.04Å; Y284-Y323 HydrophobicContact CG-CD2 4.21Å; Y284-Y323 AromaticContact CG-CG 3.98Å; Y284-Y323 HydrophobicContact CG-CG 3.98Å |
| 285 | N | 90.3 | Very high | 87 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.3 | -167.5 | 57.6 | 0 | 0 | 0 | 111.3 | S281 Y283 L288 E289 L330 | S281-N285 WeakPolarHBondContact O-CB 3.21Å; S281-N285 PolarHBondContact O-N 2.97Å; Y283-N285 VanDerWaalsContact C-N 3.34Å; Y283-N285 PolarHBondContact O-N 3.21Å; N285-L288 PolarHBondContact O-N 3.5Å; N285-E289 PolarHBondContact ND2-OE1 3.2Å; N285-E289 WeakPolarHBondContact O-CB 3.4Å; N285-E289 WeakPolarHBondContact O-CG 3.17Å; N285-E289 PolarHBondContact O-N 3.48Å; N285-L330 WeakPolarHBondContact OD1-CD1 3.32Å; N285-L330 WeakPolarHBondContact OD1-CD2 3.25Å |
| 286 | N | 91.7 | Very high | 87.4 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.9 | -177.7 | -73.4 | 0 | 0 | 0 | 112.4 | L238 E282 Y283 Y284 L288 E289 Q290 | L238-N286 WeakPolarHBondContact CA-OD1 3.43Å; L238-N286 HydrophobicContact CD2-CB 3.76Å; L238-N286 WeakPolarHBondContact CD2-OD1 3.35Å; L238-N286 PolarHBondContact O-ND2 2.94Å; L238-N286 PolarHBondContact O-OD1 3.29Å; E282-N286 PolarHBondContact O-N 3.25Å; Y283-N286 PolarHBondContact O-N 3.17Å; Y284-N286 VanDerWaalsContact C-N 3.32Å; Y284-N286 PolarHBondContact O-N 3.4Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.29Å; N286-E289 PolarHBondContact O-N 2.92Å; N286-Q290 WeakPolarHBondContact O-CG 3.5Å; N286-Q290 PolarHBondContact O-N 3.45Å; N286-Q290 PolarHBondContact OD1-NE2 2.95Å |
| 287 | I | 91 | Very high | 87.4 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.6 | -62.9 | -60.8 | 0 | 0 | 0 | 111 | L237 L238 L243 I269 Y283 Y284 Q290 C291 | L237-I287 HydrophobicContact CD2-CD1 3.75Å; L237-I287 HydrophobicContact CG-CD1 3.82Å; L238-I287 HydrophobicContact CD2-CD1 4.4Å; L243-I287 HydrophobicContact CD2-CG2 4.49Å; I269-I287 HydrophobicContact CG2-CD1 4.2Å; I269-I287 HydrophobicContact CG2-CG1 4.43Å; I269-I287 HydrophobicContact CG2-CG2 4.04Å; Y283-I287 HydrophobicContact CD1-CG1 4.44Å; Y283-I287 HydrophobicContact CE1-CG1 4.02Å; Y283-I287 HydrophobicContact CE2-CD1 4.46Å; Y283-I287 HydrophobicContact CE2-CG1 4.36Å; Y283-I287 WeakPolarHBondContact O-CG1 3.36Å; Y283-I287 PolarHBondContact O-N 3.49Å; Y283-I287 VanDerWaalsContact O-N 3.13Å; Y284-I287 PolarHBondContact O-N 3.4Å; I287-Q290 PolarHBondContact O-N 3.02Å; I287-C291 PolarHBondContact O-N 3.39Å; I287-C291 PolarHBondContact O-SG 2.91Å |
| 288 | L | 90.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 179.7 | -65.8 | 171.8 | 0 | 0 | 0 | 112 | Y284 N285 N286 Q290 C291 I292 L312 L315 Y323 L326 L327 L330 | Y284-L288 WeakPolarHBondContact O-CB 3.35Å; Y284-L288 WeakPolarHBondContact O-CG 3.28Å; Y284-L288 PolarHBondContact O-N 2.91Å; N285-L288 PolarHBondContact O-N 3.5Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.29Å; L288-Q290 VanDerWaalsContact C-N 3.29Å; L288-Q290 PolarHBondContact O-N 3.48Å; L288-C291 WeakPolarHBondContact O-CB 3.05Å; L288-C291 PolarHBondContact O-N 3.46Å; L288-I292 WeakPolarHBondContact O-CG1 3.38Å; L288-I292 PolarHBondContact O-N 2.98Å; L288-L312 HydrophobicContact CD2-CD2 3.48Å; L288-L312 VanDerWaalsContact CD2-CD2 3.48Å; L288-L315 HydrophobicContact CD2-CD2 4.21Å; L288-Y323 WeakPolarHBondContact CD1-O 3.36Å; L288-L326 HydrophobicContact CD1-CB 3.87Å; L288-L327 HydrophobicContact CB-CD1 4.21Å; L288-L327 HydrophobicContact CD1-CB 4.26Å; L288-L327 HydrophobicContact CD2-CB 4.22Å; L288-L327 HydrophobicContact CD2-CD1 4.12Å; L288-L330 HydrophobicContact CB-CD1 3.77Å |
| 289 | E | 90.4 | Very high | 86.9 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 172.6 | -77.5 | 173.9 | -173.8 | 0 | 0 | 111.7 | N285 N286 I292 A293 L330 | N285-E289 PolarHBondContact ND2-OE1 3.2Å; N285-E289 WeakPolarHBondContact O-CB 3.4Å; N285-E289 WeakPolarHBondContact O-CG 3.17Å; N285-E289 PolarHBondContact O-N 3.48Å; N286-E289 PolarHBondContact O-N 2.92Å; E289-I292 PolarHBondContact O-N 3.13Å; E289-A293 WeakPolarHBondContact O-CB 3.4Å; E289-A293 PolarHBondContact O-N 2.96Å; E289-L330 HydrophobicContact CG-CD1 4.08Å; E289-L330 HydrophobicContact CG-CD2 4.06Å |
| 290 | Q | 91.9 | Very high | 86.3 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 175.4 | -71.3 | -168.8 | 67.7 | 0 | 0 | 112.6 | L237 R239 G242 L243 N286 I287 L288 A293 I294 | L237-Q290 PolarHBondContact O-NE2 3.46Å; R239-Q290 VanDerWaalsContact O-CD 3.22Å; R239-Q290 PolarHBondContact O-NE2 2.98Å; R239-Q290 PolarHBondContact O-OE1 2.9Å; R239-Q290 VanDerWaalsContact O-OE1 3.06Å; G242-Q290 VanDerWaalsContact N-OE1 3.1Å; L243-Q290 HydrophobicContact CB-CB 3.99Å; L243-Q290 VanDerWaalsContact CB-OE1 3.3Å; L243-Q290 HydrophobicContact CD2-CB 4.07Å; N286-Q290 WeakPolarHBondContact O-CG 3.5Å; N286-Q290 PolarHBondContact O-N 3.45Å; N286-Q290 PolarHBondContact OD1-NE2 2.95Å; I287-Q290 PolarHBondContact O-N 3.02Å; L288-Q290 VanDerWaalsContact C-N 3.29Å; L288-Q290 PolarHBondContact O-N 3.48Å; Q290-A293 PolarHBondContact O-N 3.08Å; Q290-I294 WeakPolarHBondContact O-CG1 3.45Å; Q290-I294 PolarHBondContact O-N 3.31Å |
| 291 | C | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 171.4 | -73.3 | 0 | 0 | 0 | 0 | 111 | L243 I287 L288 A293 I294 F295 | L243-C291 VanDerWaalsContact CD2-SG 3.55Å; I287-C291 PolarHBondContact O-N 3.39Å; I287-C291 PolarHBondContact O-SG 2.91Å; L288-C291 WeakPolarHBondContact O-CB 3.05Å; L288-C291 PolarHBondContact O-N 3.46Å; C291-A293 VanDerWaalsContact C-N 3.32Å; C291-A293 PolarHBondContact O-N 3.41Å; C291-I294 WeakPolarHBondContact O-CB 3.33Å; C291-I294 PolarHBondContact O-N 2.96Å; C291-I294 VanDerWaalsContact O-N 3.15Å; C291-F295 HydrophobicContact CB-CE2 4.35Å; C291-F295 WeakPolarHBondContact O-CD2 3.43Å; C291-F295 PolarHBondContact O-N 3.37Å |
| 292 | I | 86.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.6 | -66.2 | 167.5 | 0 | 0 | 0 | 110.7 | L288 E289 I294 F295 R296 L327 L330 I331 | L288-I292 WeakPolarHBondContact O-CG1 3.38Å; L288-I292 PolarHBondContact O-N 2.98Å; E289-I292 PolarHBondContact O-N 3.13Å; I292-I294 VanDerWaalsContact C-N 3.27Å; I292-I294 PolarHBondContact O-N 3.34Å; I292-F295 PolarHBondContact O-N 3.38Å; I292-R296 HydrophobicContact CG2-CG 4.33Å; I292-R296 WeakPolarHBondContact O-CG 3.3Å; I292-R296 PolarHBondContact O-N 2.95Å; I292-L327 HydrophobicContact CD1-CD1 3.84Å; I292-L327 HydrophobicContact CG1-CD1 3.78Å; I292-L330 HydrophobicContact CD1-CB 3.59Å; I292-L330 HydrophobicContact CD1-CD1 4.12Å; I292-L330 HydrophobicContact CD1-CG 4.5Å; I292-I331 HydrophobicContact CD1-CG1 3.95Å; I292-I331 HydrophobicContact CG1-CG1 4.31Å |
| 293 | A | 87.8 | Confident | 84.7 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E289 Q290 C291 | E289-A293 WeakPolarHBondContact O-CB 3.4Å; E289-A293 PolarHBondContact O-N 2.96Å; Q290-A293 PolarHBondContact O-N 3.08Å; C291-A293 VanDerWaalsContact C-N 3.32Å; C291-A293 PolarHBondContact O-N 3.41Å |
| 294 | I | 87.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -47.3 | 173.8 | -70.1 | 166.5 | 0 | 0 | 0 | 110.5 | L243 L244 I247 Q290 C291 I292 R296 R297 I300 F304 C308 | L243-I294 HydrophobicContact CD2-CD1 4.13Å; L243-I294 HydrophobicContact CG-CD1 4.22Å; L244-I294 HydrophobicContact CB-CD1 4.11Å; L244-I294 HydrophobicContact CB-CG1 4.33Å; L244-I294 HydrophobicContact CD1-CD1 4.39Å; L244-I294 HydrophobicContact CD1-CG1 4.41Å; I247-I294 HydrophobicContact CD1-CD1 4.26Å; Q290-I294 WeakPolarHBondContact O-CG1 3.45Å; Q290-I294 PolarHBondContact O-N 3.31Å; C291-I294 WeakPolarHBondContact O-CB 3.33Å; C291-I294 PolarHBondContact O-N 2.96Å; C291-I294 VanDerWaalsContact O-N 3.15Å; I292-I294 VanDerWaalsContact C-N 3.27Å; I292-I294 PolarHBondContact O-N 3.34Å; I294-R296 PolarHBondContact O-N 3.48Å; I294-R297 PolarHBondContact O-N 3.28Å; I294-I300 HydrophobicContact CG2-CD1 4.11Å; I294-I300 HydrophobicContact CG2-CG2 4.44Å; I294-F304 HydrophobicContact CG2-CB 4.39Å; I294-C308 VanDerWaalsContact CD1-SG 3.59Å |
| 295 | F | 84.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.6 | -29.7 | 178.3 | -70.5 | -63.6 | 0 | 0 | 0 | 113.1 | C291 I292 R297 K305 C308 Y309 L312 R366 L367 | C291-F295 HydrophobicContact CB-CE2 4.35Å; C291-F295 WeakPolarHBondContact O-CD2 3.43Å; C291-F295 PolarHBondContact O-N 3.37Å; I292-F295 PolarHBondContact O-N 3.38Å; F295-R297 VanDerWaalsContact C-N 3.26Å; F295-R297 PolarHBondContact O-N 2.97Å; F295-K305 HydrophobicContact CD1-CB 4.26Å; F295-K305 HydrophobicContact CD1-CD 4.33Å; F295-K305 HydrophobicContact CD1-CG 4.05Å; F295-K305 HydrophobicContact CE1-CB 3.9Å; F295-K305 HydrophobicContact CE1-CG 4.21Å; F295-C308 HydrophobicContact CE1-CB 4.26Å; F295-C308 HydrophobicContact CE2-CB 3.73Å; F295-C308 HydrophobicContact CZ-CB 3.47Å; F295-C308 VanDerWaalsContact CZ-CB 3.47Å; F295-Y309 HydrophobicContact CE1-CD1 4.19Å; F295-Y309 AromaticContact CE1-CE1 3.6Å; F295-Y309 HydrophobicContact CE1-CE1 3.6Å; F295-Y309 HydrophobicContact CE1-CE2 4.01Å; F295-Y309 AromaticContact CE1-CZ 3.53Å; F295-Y309 AromaticContact CZ-CD1 3.81Å; F295-Y309 HydrophobicContact CZ-CD1 3.81Å; F295-Y309 AromaticContact CZ-CE1 3.55Å; F295-Y309 HydrophobicContact CZ-CE1 3.55Å; F295-Y309 HydrophobicContact CZ-CG 4.39Å; F295-Y309 AromaticContact CZ-CZ 3.99Å; F295-L312 HydrophobicContact CE2-CD1 4Å; F295-L312 HydrophobicContact CZ-CD1 4.42Å; F295-R366 WeakPolarHBondContact O-CD 3.31Å; F295-L367 HydrophobicContact CD2-CD1 3.73Å; F295-L367 HydrophobicContact CD2-CG 4.43Å; F295-L367 HydrophobicContact CE2-CD1 3.85Å; F295-L367 HydrophobicContact CE2-CG 4.36Å |
| 296 | R | 84.6 | Confident | 83.3 | Confident | 127 Ų | 127 | 49.5 Ų | 49.5 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.5 | 178 | -80.8 | 177 | 178.8 | 164.2 | 6.2 | 114.4 | I292 I294 N363 R366 | I292-R296 HydrophobicContact CG2-CG 4.33Å; I292-R296 WeakPolarHBondContact O-CG 3.3Å; I292-R296 PolarHBondContact O-N 2.95Å; I294-R296 PolarHBondContact O-N 3.48Å; R296-N363 WeakPolarHBondContact CG-OD1 3.32Å; R296-N363 PolarHBondContact NE-ND2 3.09Å; R296-R366 PolarHBondContact O-NH1 3.46Å; R296-R366 VanDerWaalsContact O-NH1 3.1Å |
| 297 | R | 83 | Confident | 82.8 | Confident | 131 Ų | 131 | 47.7 Ų | 47.7 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | trans | -82.5 | 122.1 | -177 | -72.4 | 178.7 | 170.8 | -173.5 | -1 | 111.3 | I294 F295 I300 | I294-R297 PolarHBondContact O-N 3.28Å; F295-R297 VanDerWaalsContact C-N 3.26Å; F295-R297 PolarHBondContact O-N 2.97Å; R297-I300 HydrophobicContact CB-CB 4.16Å; R297-I300 HydrophobicContact CB-CD1 4.36Å | ||
| 298 | D | 72.4 | Confident | 82.6 | Confident | 119 Ų | 119 | 47.5 Ų | 47.5 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.5 | -179.9 | -75.8 | -57.6 | 0 | 0 | 0 | 113.5 | R366 | D298-R366 IonicContact OD1-CZ 2.8Å; D298-R366 IonicContact OD1-NH2 3.37Å; D298-R366 PolarHBondContact OD1-NH2 3.14Å; D298-R366 IonicContact OD2-NH2 3.44Å; D298-R366 PolarHBondContact OD2-NH2 2.9Å; D298-R366 VanDerWaalsContact OD2-NH2 3.12Å |
| 299 | S | 74.3 | Confident | 82.3 | Confident | 125 Ų | 125 | 48.2 Ų | 48.2 | 87% | 0.874 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 25.1 | -172.4 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 300 | I | 74 | Confident | 81.9 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -91.6 | 137.3 | 177.9 | -126.4 | 174.4 | 0 | 0 | 0 | 110.3 | L244 I294 R297 E302 F304 K305 | L244-I300 HydrophobicContact CD1-CD1 3.72Å; L244-I300 HydrophobicContact CD2-CD1 4.02Å; I294-I300 HydrophobicContact CG2-CD1 4.11Å; I294-I300 HydrophobicContact CG2-CG2 4.44Å; R297-I300 HydrophobicContact CB-CB 4.16Å; R297-I300 HydrophobicContact CB-CD1 4.36Å; I300-E302 PolarHBondContact O-N 3.26Å; I300-F304 HydrophobicContact CG1-CD2 4.04Å; I300-F304 HydrophobicContact CG2-CB 4.27Å; I300-K305 HydrophobicContact CG2-CG 4.02Å |
| 301 | D | 74.3 | Confident | 81.7 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | trans | -54 | 131.8 | 175 | -175 | -17.7 | 0 | 0 | 0 | 109.9 | A303 F304 | D301-A303 PolarHBondContact O-N 3.4Å; D301-A303 WeakPolarHBondContact OD1-CB 3.18Å; D301-A303 PolarHBondContact OD1-N 2.88Å; D301-F304 HydrophobicContact CB-CD2 3.64Å; D301-F304 HydrophobicContact CB-CE2 3.73Å; D301-F304 WeakPolarHBondContact O-CB 3.42Å; D301-F304 PolarHBondContact O-N 3.45Å | ||
| 302 | E | 77.3 | Confident | 81.6 | Confident | 90 Ų | 90 | 44.4 Ų | 44.4 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.1 | -26 | 178.7 | -78.7 | -59.9 | 135 | 0 | 0 | 112 | I300 F304 K305 S306 | I300-E302 PolarHBondContact O-N 3.26Å; E302-F304 VanDerWaalsContact C-N 3.26Å; E302-F304 PolarHBondContact O-N 3.32Å; E302-K305 PolarHBondContact O-N 3.01Å; E302-K305 VanDerWaalsContact O-N 3.12Å; E302-K305 IonicContact OE1-NZ 3.84Å; E302-K305 PolarHBondContact OE1-NZ 3.41Å; E302-S306 PolarHBondContact O-N 2.89Å |
| 303 | A | 76 | Confident | 81.4 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -30.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L252 A254 D301 A307 | L252-A303 WeakPolarHBondContact O-CB 3.39Å; A254-A303 HydrophobicContact CB-CB 4.38Å; D301-A303 PolarHBondContact O-N 3.4Å; D301-A303 WeakPolarHBondContact OD1-CB 3.18Å; D301-A303 PolarHBondContact OD1-N 2.88Å; A303-A307 WeakPolarHBondContact O-CB 3.33Å; A303-A307 PolarHBondContact O-N 2.86Å |
| 304 | F | 80.6 | Confident | 81.2 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.5 | -37.8 | 172.9 | -64.2 | -69.7 | 0 | 0 | 0 | 112.2 | L244 I247 R248 I294 I300 D301 E302 A307 C308 | L244-F304 HydrophobicContact CD1-CB 4.28Å; L244-F304 HydrophobicContact CD1-CD1 3.54Å; L244-F304 HydrophobicContact CD1-CD2 4.44Å; L244-F304 HydrophobicContact CD1-CE1 4Å; L244-F304 HydrophobicContact CD1-CG 3.83Å; I247-F304 HydrophobicContact CB-CD1 4.08Å; I247-F304 HydrophobicContact CB-CE1 4.42Å; I247-F304 HydrophobicContact CG2-CD1 3.51Å; I247-F304 HydrophobicContact CG2-CE1 3.93Å; R248-F304 HydrophobicContact CB-CE1 4.39Å; R248-F304 HydrophobicContact CG-CE1 3.41Å; R248-F304 VanDerWaalsContact CG-CE1 3.41Å; R248-F304 HydrophobicContact CG-CZ 3.59Å; I294-F304 HydrophobicContact CG2-CB 4.39Å; I300-F304 HydrophobicContact CG1-CD2 4.04Å; I300-F304 HydrophobicContact CG2-CB 4.27Å; D301-F304 HydrophobicContact CB-CD2 3.64Å; D301-F304 HydrophobicContact CB-CE2 3.73Å; D301-F304 WeakPolarHBondContact O-CB 3.42Å; D301-F304 PolarHBondContact O-N 3.45Å; E302-F304 VanDerWaalsContact C-N 3.26Å; E302-F304 PolarHBondContact O-N 3.32Å; F304-A307 WeakPolarHBondContact O-CB 3.44Å; F304-A307 PolarHBondContact O-N 3.13Å; F304-C308 PolarHBondContact O-N 3.42Å |
| 305 | K | 82.5 | Confident | 81.1 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.4 | -65.2 | -176.8 | -167 | 161.8 | 0 | 110.6 | F295 I300 E302 A307 C308 Y309 | F295-K305 HydrophobicContact CD1-CB 4.26Å; F295-K305 HydrophobicContact CD1-CD 4.33Å; F295-K305 HydrophobicContact CD1-CG 4.05Å; F295-K305 HydrophobicContact CE1-CB 3.9Å; F295-K305 HydrophobicContact CE1-CG 4.21Å; I300-K305 HydrophobicContact CG2-CG 4.02Å; E302-K305 PolarHBondContact O-N 3.01Å; E302-K305 VanDerWaalsContact O-N 3.12Å; E302-K305 IonicContact OE1-NZ 3.84Å; E302-K305 PolarHBondContact OE1-NZ 3.41Å; K305-A307 VanDerWaalsContact C-N 3.31Å; K305-A307 PolarHBondContact O-N 2.7Å; K305-C308 WeakPolarHBondContact O-CB 3.45Å; K305-C308 PolarHBondContact O-N 3.3Å; K305-C308 VanDerWaalsContact O-N 3.11Å; K305-Y309 HydrophobicContact CB-CE2 4.38Å; K305-Y309 VanDerWaalsContact O-CD2 3.27Å; K305-Y309 WeakPolarHBondContact O-CD2 3.37Å; K305-Y309 PolarHBondContact O-N 3.28Å |
| 306 | S | 79.3 | Confident | 81 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.8 | -43.6 | 172.9 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | E302 C308 Y309 V310 | E302-S306 PolarHBondContact O-N 2.89Å; S306-C308 PolarHBondContact O-N 3.35Å; S306-Y309 WeakPolarHBondContact O-CB 3.45Å; S306-Y309 PolarHBondContact O-N 2.88Å; S306-Y309 VanDerWaalsContact O-N 3.14Å; S306-V310 WeakPolarHBondContact O-CG2 3.35Å; S306-V310 PolarHBondContact O-N 3.1Å |
| 307 | A | 81.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I247 L252 M262 A303 F304 K305 Y309 V310 I311 | I247-A307 HydrophobicContact CD1-CB 3.95Å; I247-A307 HydrophobicContact CG1-CB 4.15Å; I247-A307 HydrophobicContact CG2-CB 3.61Å; L252-A307 HydrophobicContact CD1-CB 4.5Å; M262-A307 HydrophobicContact CE-CB 3.67Å; M262-A307 WeakPolarHBondContact CE-O 3.47Å; M262-A307 HydrophobicContact CG-CB 4.21Å; M262-A307 HydrophobicContact SD-CB 3.83Å; A303-A307 WeakPolarHBondContact O-CB 3.33Å; A303-A307 PolarHBondContact O-N 2.86Å; F304-A307 WeakPolarHBondContact O-CB 3.44Å; F304-A307 PolarHBondContact O-N 3.13Å; K305-A307 VanDerWaalsContact C-N 3.31Å; K305-A307 PolarHBondContact O-N 2.7Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 2.78Å; A307-V310 PolarHBondContact O-N 3.21Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 2.93Å |
| 308 | C | 86.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 173.5 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | I294 F295 F304 K305 S306 V310 I311 L312 | I294-C308 VanDerWaalsContact CD1-SG 3.59Å; F295-C308 HydrophobicContact CE1-CB 4.26Å; F295-C308 HydrophobicContact CE2-CB 3.73Å; F295-C308 HydrophobicContact CZ-CB 3.47Å; F295-C308 VanDerWaalsContact CZ-CB 3.47Å; F304-C308 PolarHBondContact O-N 3.42Å; K305-C308 WeakPolarHBondContact O-CB 3.45Å; K305-C308 PolarHBondContact O-N 3.3Å; K305-C308 VanDerWaalsContact O-N 3.11Å; S306-C308 PolarHBondContact O-N 3.35Å; C308-V310 VanDerWaalsContact C-N 3.35Å; C308-V310 PolarHBondContact O-N 3.44Å; C308-I311 PolarHBondContact O-N 3.31Å; C308-L312 WeakPolarHBondContact O-CG 3.36Å; C308-L312 PolarHBondContact O-N 2.92Å |
| 309 | Y | 83.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.6 | -70.1 | -47.8 | 0 | 0 | 0 | 112.7 | F295 K305 S306 A307 I311 L312 S313 R366 L367 N370 L375 | F295-Y309 HydrophobicContact CE1-CD1 4.19Å; F295-Y309 AromaticContact CE1-CE1 3.6Å; F295-Y309 HydrophobicContact CE1-CE1 3.6Å; F295-Y309 HydrophobicContact CE1-CE2 4.01Å; F295-Y309 AromaticContact CE1-CZ 3.53Å; F295-Y309 AromaticContact CZ-CD1 3.81Å; F295-Y309 HydrophobicContact CZ-CD1 3.81Å; F295-Y309 AromaticContact CZ-CE1 3.55Å; F295-Y309 HydrophobicContact CZ-CE1 3.55Å; F295-Y309 HydrophobicContact CZ-CG 4.39Å; F295-Y309 AromaticContact CZ-CZ 3.99Å; K305-Y309 HydrophobicContact CB-CE2 4.38Å; K305-Y309 VanDerWaalsContact O-CD2 3.27Å; K305-Y309 WeakPolarHBondContact O-CD2 3.37Å; K305-Y309 PolarHBondContact O-N 3.28Å; S306-Y309 WeakPolarHBondContact O-CB 3.45Å; S306-Y309 PolarHBondContact O-N 2.88Å; S306-Y309 VanDerWaalsContact O-N 3.14Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 2.78Å; Y309-I311 VanDerWaalsContact C-N 3.33Å; Y309-I311 PolarHBondContact O-N 3.31Å; Y309-L312 PolarHBondContact O-N 3.01Å; Y309-S313 VanDerWaalsContact O-CB 3.23Å; Y309-S313 WeakPolarHBondContact O-CB 3.4Å; Y309-S313 PolarHBondContact O-N 3.4Å; Y309-R366 PolarHBondContact OH-O 3.08Å; Y309-L367 WeakPolarHBondContact CE1-O 3.5Å; Y309-L367 PolarHBondContact OH-O 3.4Å; Y309-N370 HydrophobicContact CE2-CB 3.8Å; Y309-L375 HydrophobicContact CD1-CD1 4.11Å |
| 310 | V | 83.7 | Confident | 81.3 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | M262 A263 A266 S306 A307 C308 L312 S313 E314 | M262-V310 HydrophobicContact CB-CB 4.39Å; M262-V310 HydrophobicContact CB-CG1 4.11Å; M262-V310 HydrophobicContact CB-CG2 4.4Å; M262-V310 HydrophobicContact CG-CB 3.73Å; M262-V310 HydrophobicContact CG-CG1 3.78Å; M262-V310 HydrophobicContact CG-CG2 4.11Å; A263-V310 HydrophobicContact CB-CG1 4.24Å; A266-V310 HydrophobicContact CB-CG1 4.19Å; S306-V310 WeakPolarHBondContact O-CG2 3.35Å; S306-V310 PolarHBondContact O-N 3.1Å; A307-V310 PolarHBondContact O-N 3.21Å; C308-V310 VanDerWaalsContact C-N 3.35Å; C308-V310 PolarHBondContact O-N 3.44Å; V310-L312 PolarHBondContact O-N 3.3Å; V310-S313 PolarHBondContact O-N 3.43Å; V310-E314 HydrophobicContact CG1-CG 4.19Å; V310-E314 WeakPolarHBondContact O-CB 3.35Å; V310-E314 VanDerWaalsContact O-CG 3.3Å; V310-E314 WeakPolarHBondContact O-CG 3.17Å; V310-E314 PolarHBondContact O-N 2.87Å |
| 311 | I | 86.4 | Confident | 81.7 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.6 | -65.3 | 164.4 | 0 | 0 | 0 | 111.2 | L243 I247 M262 A266 I269 A307 C308 Y309 L315 | L243-I311 HydrophobicContact CD1-CD1 3.86Å; L243-I311 HydrophobicContact CD2-CD1 4.49Å; I247-I311 HydrophobicContact CD1-CD1 4.44Å; M262-I311 HydrophobicContact CE-CD1 3.48Å; M262-I311 VanDerWaalsContact CE-CD1 3.48Å; M262-I311 HydrophobicContact CE-CG1 3.47Å; M262-I311 VanDerWaalsContact CE-CG1 3.47Å; A266-I311 HydrophobicContact CB-CB 4.44Å; A266-I311 HydrophobicContact CB-CG1 3.89Å; I269-I311 HydrophobicContact CD1-CD1 3.69Å; I269-I311 HydrophobicContact CD1-CG1 4.15Å; I269-I311 HydrophobicContact CG2-CG2 4.35Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 2.93Å; C308-I311 PolarHBondContact O-N 3.31Å; Y309-I311 VanDerWaalsContact C-N 3.33Å; Y309-I311 PolarHBondContact O-N 3.31Å; I311-L315 VanDerWaalsContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 PolarHBondContact O-N 3.26Å |
| 312 | L | 87.2 | Confident | 82 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.9 | -66.5 | 177.3 | 0 | 0 | 0 | 111.7 | L288 F295 C308 Y309 V310 L315 Y316 I324 L327 L367 L375 | L288-L312 HydrophobicContact CD2-CD2 3.48Å; L288-L312 VanDerWaalsContact CD2-CD2 3.48Å; F295-L312 HydrophobicContact CE2-CD1 4Å; F295-L312 HydrophobicContact CZ-CD1 4.42Å; C308-L312 WeakPolarHBondContact O-CG 3.36Å; C308-L312 PolarHBondContact O-N 2.92Å; Y309-L312 PolarHBondContact O-N 3.01Å; V310-L312 PolarHBondContact O-N 3.3Å; L312-L315 PolarHBondContact O-N 3.3Å; L312-Y316 PolarHBondContact O-N 3.19Å; L312-I324 WeakPolarHBondContact O-CD1 3.47Å; L312-L327 HydrophobicContact CD1-CD2 4Å; L312-L327 HydrophobicContact CD2-CD2 4.02Å; L312-L367 HydrophobicContact CD1-CD1 4.44Å; L312-L375 HydrophobicContact CB-CD1 3.91Å; L312-L375 HydrophobicContact CB-CD2 3.86Å; L312-L375 HydrophobicContact CD1-CD1 4.09Å |
| 313 | S | 82.5 | Confident | 82.1 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 176 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | Y309 V310 L315 Y316 K317 E374 | Y309-S313 VanDerWaalsContact O-CB 3.23Å; Y309-S313 WeakPolarHBondContact O-CB 3.4Å; Y309-S313 PolarHBondContact O-N 3.4Å; V310-S313 PolarHBondContact O-N 3.43Å; S313-L315 VanDerWaalsContact C-N 3.3Å; S313-L315 PolarHBondContact O-N 3.48Å; S313-Y316 WeakPolarHBondContact O-CB 3.3Å; S313-Y316 PolarHBondContact O-N 3.45Å; S313-K317 WeakPolarHBondContact O-CG 3.28Å; S313-K317 PolarHBondContact O-N 3.44Å; S313-K317 PolarHBondContact OG-NZ 2.92Å; S313-E374 WeakPolarHBondContact CB-OE2 3.37Å; S313-E374 PolarHBondContact OG-OE2 3.25Å |
| 314 | E | 82.9 | Confident | 82.2 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -35.8 | 178.2 | -72.5 | -61.2 | 130.5 | 0 | 0 | 111.5 | A263 A266 I270 V310 Y316 K317 S318 | A263-E314 HydrophobicContact CB-CG 4.45Å; A266-E314 HydrophobicContact CB-CB 4.11Å; A266-E314 HydrophobicContact CB-CG 4.05Å; I270-E314 HydrophobicContact CD1-CB 3.17Å; I270-E314 HydrophobicContact CD1-CG 4.47Å; V310-E314 HydrophobicContact CG1-CG 4.19Å; V310-E314 WeakPolarHBondContact O-CB 3.35Å; V310-E314 VanDerWaalsContact O-CG 3.3Å; V310-E314 WeakPolarHBondContact O-CG 3.17Å; V310-E314 PolarHBondContact O-N 2.87Å; E314-Y316 PolarHBondContact O-N 3.36Å; E314-K317 PolarHBondContact O-N 2.87Å; E314-K317 IonicContact OE1-NZ 3.25Å; E314-S318 WeakPolarHBondContact O-CB 3.43Å; E314-S318 PolarHBondContact O-N 2.87Å |
| 315 | L | 86 | Confident | 82 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -32.2 | 175.3 | -177.1 | 67.8 | 0 | 0 | 0 | 110.6 | I270 Y284 L288 I311 L312 S313 S318 I324 | I270-L315 HydrophobicContact CB-CD1 4.42Å; I270-L315 HydrophobicContact CD1-CB 4.06Å; I270-L315 HydrophobicContact CG1-CB 3.97Å; I270-L315 HydrophobicContact CG1-CD1 4.15Å; I270-L315 HydrophobicContact CG2-CD1 3.74Å; Y284-L315 HydrophobicContact CD1-CD1 3.92Å; Y284-L315 HydrophobicContact CD1-CD2 4.34Å; Y284-L315 HydrophobicContact CE1-CD1 3.62Å; L288-L315 HydrophobicContact CD2-CD2 4.21Å; I311-L315 VanDerWaalsContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 PolarHBondContact O-N 3.26Å; L312-L315 PolarHBondContact O-N 3.3Å; S313-L315 VanDerWaalsContact C-N 3.3Å; S313-L315 PolarHBondContact O-N 3.48Å; L315-S318 PolarHBondContact O-N 3.38Å; L315-S318 PolarHBondContact O-OG 2.73Å; L315-I324 VanDerWaalsContact C-CD1 3.4Å; L315-I324 HydrophobicContact CB-CD1 3.73Å; L315-I324 HydrophobicContact CB-CG1 4.1Å; L315-I324 HydrophobicContact CD2-CD1 4.03Å; L315-I324 HydrophobicContact CD2-CG1 3.42Å; L315-I324 VanDerWaalsContact CD2-CG1 3.42Å; L315-I324 HydrophobicContact CG-CD1 3.73Å; L315-I324 HydrophobicContact CG-CG1 3.56Å |
| 316 | Y | 83.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.6 | -35.8 | 179.2 | -170 | -95.8 | 0 | 0 | 0 | 112.3 | L312 S313 E314 S318 K321 I324 E374 P377 | L312-Y316 PolarHBondContact O-N 3.19Å; S313-Y316 WeakPolarHBondContact O-CB 3.3Å; S313-Y316 PolarHBondContact O-N 3.45Å; E314-Y316 PolarHBondContact O-N 3.36Å; Y316-S318 VanDerWaalsContact C-N 3.3Å; Y316-K321 VanDerWaalsContact O-CB 3.3Å; Y316-K321 WeakPolarHBondContact O-CB 3.27Å; Y316-I324 VanDerWaalsContact CB-CD1 3.44Å; Y316-I324 HydrophobicContact CD2-CD1 4.03Å; Y316-I324 HydrophobicContact CD2-CG2 4.24Å; Y316-I324 HydrophobicContact CG-CD1 4.25Å; Y316-E374 HydrophobicContact CD1-CB 4.2Å; Y316-P377 HydrophobicContact CE1-CG 4.4Å; Y316-P377 HydrophobicContact CE2-CB 4.46Å; Y316-P377 HydrophobicContact CE2-CG 4.13Å; Y316-P377 WeakPolarHBondContact OH-CG 3.48Å |
| 317 | K | 82.1 | Confident | 81.9 | Confident | 116 Ų | 116 | 43.1 Ų | 43.1 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.9 | -24.3 | 173 | -67 | 172.9 | -175.1 | 161.8 | 0 | 113.1 | S313 E314 E374 | S313-K317 WeakPolarHBondContact O-CG 3.28Å; S313-K317 PolarHBondContact O-N 3.44Å; S313-K317 PolarHBondContact OG-NZ 2.92Å; E314-K317 PolarHBondContact O-N 2.87Å; E314-K317 IonicContact OE1-NZ 3.25Å; K317-E374 WeakPolarHBondContact CE-OE1 2.99Å; K317-E374 WeakPolarHBondContact CE-OE2 3.41Å; K317-E374 IonicContact NZ-OE1 3.92Å; K317-E374 PolarHBondContact NZ-OE1 3.15Å; K317-E374 IonicContact NZ-OE2 3.58Å; K317-E374 PolarHBondContact NZ-OE2 3.43Å |
| 318 | S | 81.5 | Confident | 81.6 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -75.2 | 162.1 | -175.9 | 83.8 | 0 | 0 | 0 | 0 | 112.7 | E314 L315 Y316 Y320 K321 | E314-S318 WeakPolarHBondContact O-CB 3.43Å; E314-S318 PolarHBondContact O-N 2.87Å; L315-S318 PolarHBondContact O-N 3.38Å; L315-S318 PolarHBondContact O-OG 2.73Å; Y316-S318 VanDerWaalsContact C-N 3.3Å; S318-Y320 PolarHBondContact O-N 3.17Å; S318-Y320 WeakPolarHBondContact OG-CB 3.24Å; S318-Y320 WeakPolarHBondContact OG-CD2 3.29Å; S318-Y320 PolarHBondContact OG-N 3.47Å; S318-Y320 VanDerWaalsContact OG-N 3.11Å; S318-K321 PolarHBondContact O-N 2.93Å; S318-K321 VanDerWaalsContact O-N 3.08Å |
| 319 | P | 77.3 | Confident | 81.1 | Confident | 119 Ų | 119 | 46.2 Ų | 46.2 | 77% | 0.773 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10.2 | 170.5 | 26.4 | -36.4 | 0 | 0 | 0 | 113.4 | K321 | P319-K321 VanDerWaalsContact C-N 3.32Š|
| 320 | Y | 79.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 30% | 0.302 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 10.3 | 178 | -49.5 | -67.1 | 0 | 0 | 0 | 113 | I270 Y284 S318 A322 Y323 | I270-Y320 HydrophobicContact CG2-CD2 3.78Å; I270-Y320 HydrophobicContact CG2-CE2 4.37Å; Y284-Y320 HydrophobicContact CE2-CD1 4.23Å; Y284-Y320 HydrophobicContact CE2-CG 4.31Å; Y284-Y320 AromaticContact CZ-CG 3.88Å; Y284-Y320 WeakPolarHBondContact OH-CD1 3.13Å; Y284-Y320 WeakPolarHBondContact OH-CD2 3.28Å; S318-Y320 PolarHBondContact O-N 3.17Å; S318-Y320 WeakPolarHBondContact OG-CB 3.24Å; S318-Y320 WeakPolarHBondContact OG-CD2 3.29Å; S318-Y320 PolarHBondContact OG-N 3.47Å; S318-Y320 VanDerWaalsContact OG-N 3.11Å; Y320-A322 PolarHBondContact O-N 2.96Å; Y320-Y323 HydrophobicContact CD1-CE2 4.25Å; Y320-Y323 WeakPolarHBondContact O-CD2 3.42Å; Y320-Y323 PolarHBondContact O-N 2.9Å |
| 321 | K | 81.9 | Confident | 80.4 | Confident | 115 Ų | 115 | 47 Ų | 47 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -50 | -29.2 | 179.8 | 73.8 | 176.9 | -175.2 | 175.7 | 0 | 114.6 | Y316 S318 P319 Y323 I324 | Y316-K321 VanDerWaalsContact O-CB 3.3Å; Y316-K321 WeakPolarHBondContact O-CB 3.27Å; S318-K321 PolarHBondContact O-N 2.93Å; S318-K321 VanDerWaalsContact O-N 3.08Å; P319-K321 VanDerWaalsContact C-N 3.32Å; K321-Y323 PolarHBondContact O-N 3.42Å; K321-I324 WeakPolarHBondContact O-CB 3.27Å; K321-I324 PolarHBondContact O-N 3.02Å |
| 322 | A | 80.7 | Confident | 79.7 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -58.8 | -31.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y320 I324 N325 | Y320-A322 PolarHBondContact O-N 2.96Å; A322-I324 VanDerWaalsContact C-N 3.31Å; A322-I324 PolarHBondContact O-N 2.7Å; A322-N325 WeakPolarHBondContact O-CB 3.48Å; A322-N325 PolarHBondContact O-N 3.36Å |
| 323 | Y | 80.6 | Confident | 79 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -75.8 | -19.3 | 178.7 | -60.7 | -71.7 | 0 | 0 | 0 | 112.9 | P280 Y284 L288 Y320 K321 N325 L326 | P280-Y323 HydrophobicContact CB-CE1 4.39Å; P280-Y323 HydrophobicContact CB-CE2 4.28Å; P280-Y323 HydrophobicContact CG-CE1 4.34Å; P280-Y323 WeakPolarHBondContact CG-OH 3.32Å; Y284-Y323 AromaticContact CD2-CD1 3.89Å; Y284-Y323 HydrophobicContact CD2-CD1 3.89Å; Y284-Y323 AromaticContact CD2-CD2 3.34Å; Y284-Y323 HydrophobicContact CD2-CD2 3.34Å; Y284-Y323 HydrophobicContact CD2-CE1 4.33Å; Y284-Y323 AromaticContact CD2-CE2 3.83Å; Y284-Y323 HydrophobicContact CD2-CE2 3.83Å; Y284-Y323 AromaticContact CD2-CG 3.39Å; Y284-Y323 HydrophobicContact CD2-CG 3.39Å; Y284-Y323 AromaticContact CE2-CD2 3.47Å; Y284-Y323 HydrophobicContact CE2-CD2 3.47Å; Y284-Y323 VanDerWaalsContact CE2-CD2 3.47Å; Y284-Y323 AromaticContact CE2-CE2 3.7Å; Y284-Y323 HydrophobicContact CE2-CE2 3.7Å; Y284-Y323 HydrophobicContact CE2-CG 4.04Å; Y284-Y323 HydrophobicContact CG-CD2 4.21Å; Y284-Y323 AromaticContact CG-CG 3.98Å; Y284-Y323 HydrophobicContact CG-CG 3.98Å; L288-Y323 WeakPolarHBondContact CD1-O 3.36Å; Y320-Y323 HydrophobicContact CD1-CE2 4.25Å; Y320-Y323 WeakPolarHBondContact O-CD2 3.42Å; Y320-Y323 PolarHBondContact O-N 2.9Å; K321-Y323 PolarHBondContact O-N 3.42Å; Y323-N325 PolarHBondContact O-N 2.96Å; Y323-L326 HydrophobicContact CD1-CD1 4Å; Y323-L326 WeakPolarHBondContact O-CB 3.33Å; Y323-L326 VanDerWaalsContact O-CG 3.3Å; Y323-L326 WeakPolarHBondContact O-CG 3.33Å; Y323-L326 PolarHBondContact O-N 3.37Å |
| 324 | I | 77.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -65.5 | -26.8 | 173.4 | -78.8 | -178.8 | 0 | 0 | 0 | 111.8 | L312 L315 Y316 K321 A322 L326 L327 L378 | L312-I324 WeakPolarHBondContact O-CD1 3.47Å; L315-I324 VanDerWaalsContact C-CD1 3.4Å; L315-I324 HydrophobicContact CB-CD1 3.73Å; L315-I324 HydrophobicContact CB-CG1 4.1Å; L315-I324 HydrophobicContact CD2-CD1 4.03Å; L315-I324 HydrophobicContact CD2-CG1 3.42Å; L315-I324 VanDerWaalsContact CD2-CG1 3.42Å; L315-I324 HydrophobicContact CG-CD1 3.73Å; L315-I324 HydrophobicContact CG-CG1 3.56Å; Y316-I324 VanDerWaalsContact CB-CD1 3.44Å; Y316-I324 HydrophobicContact CD2-CD1 4.03Å; Y316-I324 HydrophobicContact CD2-CG2 4.24Å; Y316-I324 HydrophobicContact CG-CD1 4.25Å; K321-I324 WeakPolarHBondContact O-CB 3.27Å; K321-I324 PolarHBondContact O-N 3.02Å; A322-I324 VanDerWaalsContact C-N 3.31Å; A322-I324 PolarHBondContact O-N 2.7Å; I324-L326 PolarHBondContact O-N 3.11Å; I324-L326 VanDerWaalsContact O-N 3.13Å; I324-L327 WeakPolarHBondContact O-CA 3.39Å; I324-L327 WeakPolarHBondContact O-CB 3.45Å; I324-L327 PolarHBondContact O-N 3.38Å; I324-L378 HydrophobicContact CG2-CD1 3.35Å; I324-L378 HydrophobicContact CG2-CD2 3.38Å; I324-L378 HydrophobicContact CG2-CG 3.83Å |
| 325 | N | 75.4 | Confident | 77.6 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 57% | 0.572 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.9 | -22.5 | 173.8 | -64.1 | -16.7 | 0 | 0 | 0 | 111.8 | A322 Y323 L327 G328 S329 | A322-N325 WeakPolarHBondContact O-CB 3.48Å; A322-N325 PolarHBondContact O-N 3.36Å; Y323-N325 PolarHBondContact O-N 2.96Å; N325-L327 PolarHBondContact O-N 3.37Å; N325-G328 PolarHBondContact O-N 3.38Å; N325-S329 PolarHBondContact O-N 3.07Å |
| 326 | L | 80 | Confident | 76.7 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 170 | -59.9 | 170.2 | 0 | 0 | 0 | 111.3 | L288 Y323 I324 G328 S329 L330 | L288-L326 HydrophobicContact CD1-CB 3.87Å; Y323-L326 HydrophobicContact CD1-CD1 4Å; Y323-L326 WeakPolarHBondContact O-CB 3.33Å; Y323-L326 VanDerWaalsContact O-CG 3.3Å; Y323-L326 WeakPolarHBondContact O-CG 3.33Å; Y323-L326 PolarHBondContact O-N 3.37Å; I324-L326 PolarHBondContact O-N 3.11Å; I324-L326 VanDerWaalsContact O-N 3.13Å; L326-G328 VanDerWaalsContact C-N 3.31Å; L326-G328 PolarHBondContact O-N 3.48Å; L326-S329 WeakPolarHBondContact CA-OG 3.32Å; L326-S329 CarbonylContact O-C 3.46Å; L326-S329 PolarHBondContact O-N 3.44Å; L326-S329 VanDerWaalsContact O-N 3.1Å; L326-S329 PolarHBondContact O-OG 3.37Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.46Å; L326-L330 PolarHBondContact O-N 3.04Å |
| 327 | L | 80.7 | Confident | 76.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.3 | -172.3 | 67.5 | 0 | 0 | 0 | 110.9 | L288 I292 L312 I324 N325 S329 L330 I331 L367 L378 | L288-L327 HydrophobicContact CB-CD1 4.21Å; L288-L327 HydrophobicContact CD1-CB 4.26Å; L288-L327 HydrophobicContact CD2-CB 4.22Å; L288-L327 HydrophobicContact CD2-CD1 4.12Å; I292-L327 HydrophobicContact CD1-CD1 3.84Å; I292-L327 HydrophobicContact CG1-CD1 3.78Å; L312-L327 HydrophobicContact CD1-CD2 4Å; L312-L327 HydrophobicContact CD2-CD2 4.02Å; I324-L327 WeakPolarHBondContact O-CA 3.39Å; I324-L327 WeakPolarHBondContact O-CB 3.45Å; I324-L327 PolarHBondContact O-N 3.38Å; N325-L327 PolarHBondContact O-N 3.37Å; L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 3.04Å; L327-L330 PolarHBondContact O-N 2.91Å; L327-I331 HydrophobicContact CD1-CD1 4.05Å; L327-I331 HydrophobicContact CD1-CG1 4.48Å; L327-I331 HydrophobicContact CD2-CD1 4.45Å; L327-I331 HydrophobicContact CG-CD1 3.77Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.34Å; L327-I331 PolarHBondContact O-N 3.21Å; L327-L367 HydrophobicContact CD1-CD1 4.4Å; L327-L367 HydrophobicContact CD2-CD1 4.2Å; L327-L367 HydrophobicContact CD2-CD2 4.23Å; L327-L378 HydrophobicContact CD2-CD1 4.06Å |
| 328 | G | 74.2 | Confident | 75.4 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N325 L326 L330 I331 W332 | N325-G328 PolarHBondContact O-N 3.38Å; L326-G328 VanDerWaalsContact C-N 3.31Å; L326-G328 PolarHBondContact O-N 3.48Å; G328-L330 PolarHBondContact O-N 3Å; G328-I331 PolarHBondContact O-N 3.08Å; G328-W332 WeakPolarHBondContact O-CB 3.43Å; G328-W332 PolarHBondContact O-N 3.28Å |
| 329 | S | 77 | Confident | 74.7 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 177 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | N325 L326 L327 G333 P334 | N325-S329 PolarHBondContact O-N 3.07Å; L326-S329 WeakPolarHBondContact CA-OG 3.32Å; L326-S329 CarbonylContact O-C 3.46Å; L326-S329 PolarHBondContact O-N 3.44Å; L326-S329 VanDerWaalsContact O-N 3.1Å; L326-S329 PolarHBondContact O-OG 3.37Å; L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 3.04Å; S329-G333 WeakPolarHBondContact O-CA 3.36Å; S329-G333 PolarHBondContact O-N 3.5Å; S329-P334 WeakPolarHBondContact O-CD 3.3Å |
| 330 | L | 76.2 | Confident | 74.3 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73 | -32.3 | 178.3 | -73 | 169.8 | 0 | 0 | 0 | 112.6 | N285 L288 E289 I292 L326 L327 G328 | N285-L330 WeakPolarHBondContact OD1-CD1 3.32Å; N285-L330 WeakPolarHBondContact OD1-CD2 3.25Å; L288-L330 HydrophobicContact CB-CD1 3.77Å; E289-L330 HydrophobicContact CG-CD1 4.08Å; E289-L330 HydrophobicContact CG-CD2 4.06Å; I292-L330 HydrophobicContact CD1-CB 3.59Å; I292-L330 HydrophobicContact CD1-CD1 4.12Å; I292-L330 HydrophobicContact CD1-CG 4.5Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.46Å; L326-L330 PolarHBondContact O-N 3.04Å; L327-L330 PolarHBondContact O-N 2.91Å; G328-L330 PolarHBondContact O-N 3Å |
| 331 | I | 75.7 | Confident | 73.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -82.6 | -47.5 | -179.3 | -64.1 | 167.4 | 0 | 0 | 0 | 110.7 | I292 L327 G328 V364 L367 | I292-I331 HydrophobicContact CD1-CG1 3.95Å; I292-I331 HydrophobicContact CG1-CG1 4.31Å; L327-I331 HydrophobicContact CD1-CD1 4.05Å; L327-I331 HydrophobicContact CD1-CG1 4.48Å; L327-I331 HydrophobicContact CD2-CD1 4.45Å; L327-I331 HydrophobicContact CG-CD1 3.77Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.34Å; L327-I331 PolarHBondContact O-N 3.21Å; G328-I331 PolarHBondContact O-N 3.08Å; I331-V364 HydrophobicContact CG2-CG2 3.35Å; I331-L367 HydrophobicContact CD1-CD1 3.9Å; I331-L367 HydrophobicContact CD1-CD2 4.17Å |
| 332 | W | 72.9 | Confident | 73 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -111.3 | -24.8 | -169 | -69 | 104.6 | 0 | 0 | 0 | 114.6 | G328 L335 L336 V360 V364 F382 F385 L386 | G328-W332 WeakPolarHBondContact O-CB 3.43Å; G328-W332 PolarHBondContact O-N 3.28Å; W332-L335 HydrophobicContact CE3-CD2 4.33Å; W332-L335 HydrophobicContact CZ3-CD2 4.43Å; W332-L335 PolarHBondContact O-N 2.96Å; W332-L336 HydrophobicContact CB-CG 4.43Å; W332-L336 PolarHBondContact O-N 2.94Å; W332-V360 HydrophobicContact CD2-CG1 4.08Å; W332-V360 HydrophobicContact CE3-CG1 3.59Å; W332-V360 HydrophobicContact CH2-CG1 4.36Å; W332-V360 HydrophobicContact CZ3-CG1 3.73Å; W332-V364 HydrophobicContact CD2-CG2 4.21Å; W332-V364 VanDerWaalsContact CE2-CG2 3.41Å; W332-V364 HydrophobicContact CH2-CG2 4.06Å; W332-V364 HydrophobicContact CZ2-CB 4.09Å; W332-V364 HydrophobicContact CZ2-CG1 3.81Å; W332-V364 HydrophobicContact CZ2-CG2 3.36Å; W332-F382 HydrophobicContact CB-CD1 3.62Å; W332-F382 HydrophobicContact CB-CE1 3.09Å; W332-F382 HydrophobicContact CB-CE2 4.41Å; W332-F382 HydrophobicContact CB-CG 4.47Å; W332-F382 HydrophobicContact CB-CZ 3.56Å; W332-F382 AromaticContact CD1-CD1 3.68Å; W332-F382 AromaticContact CD1-CD2 3.51Å; W332-F382 AromaticContact CD1-CE1 3.57Å; W332-F382 AromaticContact CD1-CE2 3.4Å; W332-F382 VanDerWaalsContact CD1-CE2 3.4Å; W332-F382 AromaticContact CD1-CG 3.66Å; W332-F382 AromaticContact CD1-CZ 3.44Å; W332-F382 VanDerWaalsContact CD1-CZ 3.44Å; W332-F382 HydrophobicContact CD2-CB 4.36Å; W332-F382 AromaticContact CD2-CD1 3.7Å; W332-F382 HydrophobicContact CD2-CD1 3.7Å; W332-F382 HydrophobicContact CD2-CE1 4.13Å; W332-F382 AromaticContact CD2-CG 3.95Å; W332-F382 HydrophobicContact CD2-CG 3.95Å; W332-F382 AromaticContact CE2-CG 3.82Å; W332-F382 HydrophobicContact CE3-CD1 4.29Å; W332-F382 AromaticContact CG-CD1 3.41Å; W332-F382 HydrophobicContact CG-CD1 3.41Å; W332-F382 VanDerWaalsContact CG-CD1 3.41Å; W332-F382 HydrophobicContact CG-CD2 4.13Å; W332-F382 AromaticContact CG-CE1 3.33Å; W332-F382 HydrophobicContact CG-CE1 3.33Å; W332-F382 HydrophobicContact CG-CE2 4.05Å; W332-F382 AromaticContact CG-CG 3.83Å; W332-F382 HydrophobicContact CG-CG 3.83Å; W332-F382 AromaticContact CG-CZ 3.68Å; W332-F382 HydrophobicContact CG-CZ 3.68Å; W332-F382 HydrophobicContact CZ2-CB 4.12Å; W332-F382 HydrophobicContact CZ2-CG 4.47Å; W332-F382 AromaticContact NE1-CD2 3.56Å; W332-F382 AromaticContact NE1-CE2 3.93Å; W332-F382 AromaticContact NE1-CG 3.64Å; W332-F385 HydrophobicContact CH2-CD1 4.11Å; W332-F385 HydrophobicContact CH2-CE1 4.17Å; W332-F385 AromaticContact CZ3-CD1 3.91Å; W332-F385 HydrophobicContact CZ3-CD1 3.91Å; W332-F385 AromaticContact CZ3-CE1 3.78Å; W332-F385 HydrophobicContact CZ3-CE1 3.78Å; W332-F385 HydrophobicContact CZ3-CZ 4.48Å; W332-L386 HydrophobicContact CH2-CD2 3.98Å; W332-L386 HydrophobicContact CH2-CG 4.45Å; W332-L386 HydrophobicContact CZ2-CD2 4.43Å |
| 333 | G | 71.7 | Confident | 72.3 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.2 | -52.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S329 L335 L336 E337 | S329-G333 WeakPolarHBondContact O-CA 3.36Å; S329-G333 PolarHBondContact O-N 3.5Å; G333-L335 PolarHBondContact O-N 2.98Å; G333-L335 VanDerWaalsContact O-N 3.11Å; G333-L336 PolarHBondContact O-N 3.24Å; G333-E337 WeakPolarHBondContact O-CB 3.42Å; G333-E337 PolarHBondContact O-N 3.32Å |
| 334 | P | 68.9 | Low | 71.7 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 53% | 0.526 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -23.8 | 179.8 | -23.8 | 33.3 | 0 | 0 | 0 | 114.4 | S329 K338 | S329-P334 WeakPolarHBondContact O-CD 3.3Å; P334-K338 WeakPolarHBondContact O-CG 3.46Å |
| 335 | L | 67.7 | Low | 71.2 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -92.1 | -43.5 | -178.1 | -169.4 | 122.1 | 0 | 0 | 0 | 111.4 | W332 G333 E337 K338 C339 L357 V360 F385 | W332-L335 HydrophobicContact CE3-CD2 4.33Å; W332-L335 HydrophobicContact CZ3-CD2 4.43Å; W332-L335 PolarHBondContact O-N 2.96Å; G333-L335 PolarHBondContact O-N 2.98Å; G333-L335 VanDerWaalsContact O-N 3.11Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3.38Å; L335-K338 WeakPolarHBondContact O-CB 3.4Å; L335-K338 PolarHBondContact O-N 2.99Å; L335-C339 PolarHBondContact O-N 3.5Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.38Å; L335-L357 HydrophobicContact CD1-CB 4.42Å; L335-L357 HydrophobicContact CD1-CD2 3.63Å; L335-L357 HydrophobicContact CD1-CG 3.9Å; L335-L357 HydrophobicContact CD2-CD2 3.59Å; L335-L357 HydrophobicContact CG-CD2 4.01Å; L335-V360 HydrophobicContact CB-CG2 4.34Å; L335-V360 HydrophobicContact CD1-CB 4.16Å; L335-V360 HydrophobicContact CD1-CG2 3.8Å; L335-F385 HydrophobicContact CD2-CE2 4.35Å; L335-F385 HydrophobicContact CD2-CZ 4.16Å |
| 336 | L | 66.8 | Low | 70.5 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.1 | -82.2 | -167.9 | 0 | 0 | 0 | 112 | W332 G333 K338 C339 Q340 F382 | W332-L336 HydrophobicContact CB-CG 4.43Å; W332-L336 PolarHBondContact O-N 2.94Å; G333-L336 PolarHBondContact O-N 3.24Å; L336-K338 PolarHBondContact O-N 2.89Å; L336-C339 PolarHBondContact O-N 3.32Å; L336-Q340 WeakPolarHBondContact O-CB 3.48Å; L336-Q340 WeakPolarHBondContact O-CG 3.08Å; L336-Q340 PolarHBondContact O-N 3.22Å; L336-F382 HydrophobicContact CD1-CD1 3.61Å; L336-F382 HydrophobicContact CD1-CE1 3.31Å; L336-F382 HydrophobicContact CD2-CD1 4.5Å; L336-F382 HydrophobicContact CG-CD1 4.14Å; L336-F382 HydrophobicContact CG-CE1 4.06Å |
| 337 | E | 69.6 | Low | 69.6 | Low | 122 Ų | 122 | 59.7 Ų | 59.7 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.3 | -41.2 | 176.8 | -170.5 | -179.7 | -178.9 | 0 | 0 | 110.4 | G333 L335 L341 | G333-E337 WeakPolarHBondContact O-CB 3.42Å; G333-E337 PolarHBondContact O-N 3.32Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3.38Å; E337-L341 HydrophobicContact CG-CD1 4.09Å; E337-L341 VanDerWaalsContact O-CB 3.26Å; E337-L341 WeakPolarHBondContact O-CB 3.39Å; E337-L341 WeakPolarHBondContact O-CD1 3.45Å; E337-L341 VanDerWaalsContact O-CG 3.3Å; E337-L341 WeakPolarHBondContact O-CG 3.3Å; E337-L341 PolarHBondContact O-N 3.13Å |
| 338 | K | 68.3 | Low | 68.5 | Low | 97 Ų | 97 | 63.2 Ų | 63.2 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 175.2 | -73.6 | -177.3 | 178.7 | -170.7 | 0 | 113.4 | P334 L335 L336 A342 | P334-K338 WeakPolarHBondContact O-CG 3.46Å; L335-K338 WeakPolarHBondContact O-CB 3.4Å; L335-K338 PolarHBondContact O-N 2.99Å; L336-K338 PolarHBondContact O-N 2.89Å; K338-A342 WeakPolarHBondContact O-CB 3.12Å; K338-A342 PolarHBondContact O-N 3.5Å |
| 339 | C | 67 | Low | 67.5 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.3 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | L335 L336 A342 I343 L441 | L335-C339 PolarHBondContact O-N 3.5Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.38Å; L336-C339 PolarHBondContact O-N 3.32Å; C339-A342 PolarHBondContact O-N 3.06Å; C339-I343 VanDerWaalsContact O-CG1 3.31Å; C339-I343 WeakPolarHBondContact O-CG1 3.36Å; C339-I343 PolarHBondContact O-N 3.01Å; C339-I343 VanDerWaalsContact O-N 3.1Å; C339-L441 HydrophobicContact CB-CD2 3.92Å |
| 340 | Q | 68.5 | Low | 66.5 | Low | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 174.9 | -75.2 | 176.6 | -17.7 | 0 | 0 | 111.2 | L336 A342 I343 E344 | L336-Q340 WeakPolarHBondContact O-CB 3.48Å; L336-Q340 WeakPolarHBondContact O-CG 3.08Å; L336-Q340 PolarHBondContact O-N 3.22Å; Q340-A342 VanDerWaalsContact C-N 3.27Å; Q340-A342 PolarHBondContact O-N 3.2Å; Q340-I343 PolarHBondContact O-N 2.83Å; Q340-I343 VanDerWaalsContact O-N 3.1Å; Q340-E344 WeakPolarHBondContact O-CG 3.03Å; Q340-E344 PolarHBondContact O-N 3.35Å |
| 341 | L | 67.2 | Low | 65.7 | Low | 74 Ų | 74 | 69.6 Ų | 69.6 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 173.6 | -84.5 | 159.7 | 0 | 0 | 0 | 112.3 | E337 E344 K345 | E337-L341 HydrophobicContact CG-CD1 4.09Å; E337-L341 VanDerWaalsContact O-CB 3.26Å; E337-L341 WeakPolarHBondContact O-CB 3.39Å; E337-L341 WeakPolarHBondContact O-CD1 3.45Å; E337-L341 VanDerWaalsContact O-CG 3.3Å; E337-L341 WeakPolarHBondContact O-CG 3.3Å; E337-L341 PolarHBondContact O-N 3.13Å; L341-E344 PolarHBondContact O-N 3.15Å; L341-K345 PolarHBondContact O-N 2.94Å |
| 342 | A | 65.8 | Low | 65.2 | Low | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K338 C339 Q340 K345 P346 C349 I455 | K338-A342 WeakPolarHBondContact O-CB 3.12Å; K338-A342 PolarHBondContact O-N 3.5Å; C339-A342 PolarHBondContact O-N 3.06Å; Q340-A342 VanDerWaalsContact C-N 3.27Å; Q340-A342 PolarHBondContact O-N 3.2Å; A342-K345 CarbonylContact O-C 3.56Å; A342-P346 WeakPolarHBondContact O-CA 3.38Å; A342-C349 HydrophobicContact CB-CB 4Å; A342-I455 HydrophobicContact CB-CD1 4.14Å; A342-I455 WeakPolarHBondContact O-CD1 3.37Å |
| 343 | I | 65.9 | Low | 65 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 175.6 | -65.8 | 163.1 | 0 | 0 | 0 | 111.2 | C339 Q340 L441 | C339-I343 VanDerWaalsContact O-CG1 3.31Å; C339-I343 WeakPolarHBondContact O-CG1 3.36Å; C339-I343 PolarHBondContact O-N 3.01Å; C339-I343 VanDerWaalsContact O-N 3.1Å; Q340-I343 PolarHBondContact O-N 2.83Å; Q340-I343 VanDerWaalsContact O-N 3.1Å; I343-L441 HydrophobicContact CD1-CB 4.32Å; I343-L441 HydrophobicContact CG1-CB 4.46Å |
| 344 | E | 68 | Low | 64.7 | Low | 146 Ų | 146 | 74.4 Ų | 74.4 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -72.3 | -30 | -179.1 | -71.2 | 180 | -179.7 | 0 | 0 | 113.4 | Q340 L341 | Q340-E344 WeakPolarHBondContact O-CG 3.03Å; Q340-E344 PolarHBondContact O-N 3.35Å; L341-E344 PolarHBondContact O-N 3.15Å |
| 345 | K | 67.4 | Low | 64.8 | Low | 129 Ų | 129 | 74.3 Ų | 74.3 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | trans | -133.1 | 74.7 | -178 | -65.7 | -176.2 | -178.5 | 175.2 | 0 | 110.9 | L341 A342 D347 A348 | L341-K345 PolarHBondContact O-N 2.94Å; A342-K345 CarbonylContact O-C 3.56Å; K345-D347 PolarHBondContact O-N 2.99Å; K345-A348 HydrophobicContact CB-CB 4.05Å; K345-A348 PolarHBondContact O-N 3.41Å | ||
| 346 | P | 60.7 | Low | 65.2 | Low | 50 Ų | 50 | 78 Ų | 78 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -59.7 | -31.4 | -176.2 | 22 | -32.5 | 0 | 0 | 0 | 113.3 | A342 A348 V439 I455 | A342-P346 WeakPolarHBondContact O-CA 3.38Å; P346-A348 VanDerWaalsContact C-N 3.27Å; P346-A348 PolarHBondContact O-N 3.28Å; P346-V439 HydrophobicContact CB-CG1 4.36Å; P346-V439 HydrophobicContact CG-CG2 4.46Å; P346-I455 HydrophobicContact CB-CD1 4.01Å; P346-I455 HydrophobicContact CB-CG2 4.41Å |
| 347 | D | 61.1 | Low | 65.7 | Low | 170 Ų | 170 | 76 Ų | 76 | 91% | 0.909 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -72.9 | -15.2 | -179.7 | -58.2 | -32.3 | 0 | 0 | 0 | 113.9 | K345 | K345-D347 PolarHBondContact O-N 2.99Š|
| 348 | A | 58 | Low | 66.3 | Low | 75 Ų | 75 | 71.3 Ų | 71.3 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -98 | -15.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K345 P346 | K345-A348 HydrophobicContact CB-CB 4.05Å; K345-A348 PolarHBondContact O-N 3.41Å; P346-A348 VanDerWaalsContact C-N 3.27Å; P346-A348 PolarHBondContact O-N 3.28Å |
| 349 | C | 52.4 | Low | 67 | Low | 52 Ų | 52 | 71 Ų | 71 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | trans | -139.6 | 95.6 | -176.7 | -84.8 | 0 | 0 | 0 | 0 | 111.2 | A342 | A342-C349 HydrophobicContact CB-CB 4Š| ||
| 350 | S | 55.8 | Low | 67.7 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 81% | 0.811 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77 | -16.3 | 179.2 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 351 | S | 61.1 | Low | 68.5 | Low | 72 Ų | 72 | 66.6 Ų | 66.6 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | trans | -167.1 | 148 | 168.4 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 352 | V | 64.9 | Low | 69.3 | Low | 14 Ų | 14 | 66.4 Ų | 66.4 | 9% | 0.085 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -83.9 | 130.6 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | A354 L357 A453 | V352-A354 PolarHBondContact O-N 3.2Å; V352-L357 HydrophobicContact CB-CD1 3.92Å; V352-L357 HydrophobicContact CG1-CD1 3.85Å; V352-L357 HydrophobicContact CG1-CG 3.98Å; V352-A453 HydrophobicContact CB-CB 4.24Å; V352-A453 HydrophobicContact CG2-CB 4.26Å; V352-A453 PolarHBondContact N-O 3.24Å |
| 353 | E | 67.3 | Low | 70.1 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | trans | -50.4 | 126.7 | -179.2 | -76.3 | 172.6 | -141.8 | 0 | 0 | 112.6 | D355 K356 | E353-D355 VanDerWaalsContact C-N 3.28Å; E353-D355 PolarHBondContact O-N 2.93Å; E353-K356 HydrophobicContact CB-CD 4.24Å; E353-K356 HydrophobicContact CB-CG 4.42Å; E353-K356 PolarHBondContact O-N 3.25Å; E353-K356 IonicContact OE1-NZ 3.94Å; E353-K356 PolarHBondContact OE1-NZ 3.38Å; E353-K356 WeakPolarHBondContact OE2-CD 3.48Å; E353-K356 WeakPolarHBondContact OE2-CE 3.36Å; E353-K356 IonicContact OE2-NZ 2.69Å; E353-K356 PolarHBondContact OE2-NZ 3.24Å | ||
| 354 | A | 66.8 | Low | 71 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.5 | -38.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V352 T358 T446 K450 L451 V452 | V352-A354 PolarHBondContact O-N 3.2Å; A354-T358 WeakPolarHBondContact O-CB 3.29Å; A354-T358 PolarHBondContact O-N 2.68Å; A354-T358 PolarHBondContact O-OG1 3.45Å; A354-T446 HydrophobicContact CB-CG2 4.35Å; A354-K450 HydrophobicContact CB-CB 3.72Å; A354-K450 HydrophobicContact CB-CD 4.21Å; A354-L451 CarbonylContact C-O 3.6Å; A354-L451 VanDerWaalsContact CA-O 3.23Å; A354-L451 WeakPolarHBondContact CA-O 3.46Å; A354-L451 VanDerWaalsContact O-O 3.14Å; A354-V452 HydrophobicContact CB-CG2 3.37Å |
| 355 | D | 71.1 | Confident | 71.9 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | -177.5 | -72.8 | -40.1 | 0 | 0 | 0 | 111.7 | E353 L357 T358 D359 K450 | E353-D355 VanDerWaalsContact C-N 3.28Å; E353-D355 PolarHBondContact O-N 2.93Å; D355-L357 PolarHBondContact O-N 2.81Å; D355-T358 PolarHBondContact O-N 3.02Å; D355-D359 WeakPolarHBondContact O-CB 3.41Å; D355-D359 PolarHBondContact O-N 3.02Å; D355-K450 WeakPolarHBondContact OD1-CD 3.26Å; D355-K450 WeakPolarHBondContact OD1-CE 3.41Å; D355-K450 IonicContact OD1-NZ 2.69Å; D355-K450 PolarHBondContact OD1-NZ 3.22Å; D355-K450 IonicContact OD2-NZ 3.46Å |
| 356 | K | 75.1 | Confident | 72.7 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | -176.6 | -71.4 | 175.9 | 174.1 | 140.2 | 0 | 111.9 | E353 V360 | E353-K356 HydrophobicContact CB-CD 4.24Å; E353-K356 HydrophobicContact CB-CG 4.42Å; E353-K356 PolarHBondContact O-N 3.25Å; E353-K356 IonicContact OE1-NZ 3.94Å; E353-K356 PolarHBondContact OE1-NZ 3.38Å; E353-K356 WeakPolarHBondContact OE2-CD 3.48Å; E353-K356 WeakPolarHBondContact OE2-CE 3.36Å; E353-K356 IonicContact OE2-NZ 2.69Å; E353-K356 PolarHBondContact OE2-NZ 3.24Å; K356-V360 VanDerWaalsContact O-CG2 3.29Å; K356-V360 WeakPolarHBondContact O-CG2 3.46Å; K356-V360 PolarHBondContact O-N 3.4Å; K356-V360 VanDerWaalsContact O-N 3.12Å |
| 357 | L | 77.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.2 | -83.3 | 163.6 | 0 | 0 | 0 | 111.7 | L335 V352 D355 D359 V360 V361 F385 L451 A453 | L335-L357 HydrophobicContact CD1-CB 4.42Å; L335-L357 HydrophobicContact CD1-CD2 3.63Å; L335-L357 HydrophobicContact CD1-CG 3.9Å; L335-L357 HydrophobicContact CD2-CD2 3.59Å; L335-L357 HydrophobicContact CG-CD2 4.01Å; V352-L357 HydrophobicContact CB-CD1 3.92Å; V352-L357 HydrophobicContact CG1-CD1 3.85Å; V352-L357 HydrophobicContact CG1-CG 3.98Å; D355-L357 PolarHBondContact O-N 2.81Å; L357-D359 VanDerWaalsContact C-N 3.33Å; L357-D359 PolarHBondContact O-N 3.46Å; L357-V360 PolarHBondContact O-N 3.39Å; L357-V361 PolarHBondContact O-N 3.26Å; L357-F385 HydrophobicContact CD2-CZ 3.89Å; L357-L451 HydrophobicContact CB-CB 4.14Å; L357-L451 HydrophobicContact CB-CD2 4.26Å; L357-L451 HydrophobicContact CB-CG 4.3Å; L357-L451 VanDerWaalsContact CB-O 3.28Å; L357-L451 WeakPolarHBondContact CB-O 3.23Å; L357-L451 WeakPolarHBondContact CD1-O 3.24Å; L357-L451 HydrophobicContact CD2-CD2 4.46Å; L357-A453 HydrophobicContact CD1-CB 3.75Å; L357-A453 VanDerWaalsContact CD1-N 3.27Å |
| 358 | T | 82.8 | Confident | 74.9 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | -179.7 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | A354 D355 V360 V361 K362 C400 K450 L451 | A354-T358 WeakPolarHBondContact O-CB 3.29Å; A354-T358 PolarHBondContact O-N 2.68Å; A354-T358 PolarHBondContact O-OG1 3.45Å; D355-T358 PolarHBondContact O-N 3.02Å; T358-V360 VanDerWaalsContact C-N 3.35Å; T358-V360 PolarHBondContact O-N 3.34Å; T358-V361 PolarHBondContact O-N 2.94Å; T358-K362 VanDerWaalsContact O-CB 3.29Å; T358-K362 WeakPolarHBondContact O-CB 3.45Å; T358-K362 PolarHBondContact O-N 3.36Å; T358-C400 HydrophobicContact CG2-CB 4.5Å; T358-K450 WeakPolarHBondContact OG1-CA 3.49Å; T358-K450 WeakPolarHBondContact OG1-CB 3.35Å; T358-L451 PolarHBondContact OG1-N 3.1Å |
| 359 | D | 82.1 | Confident | 76 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.9 | -79.4 | -23.5 | 0 | 0 | 0 | 112.8 | D355 L357 N363 | D355-D359 WeakPolarHBondContact O-CB 3.41Å; D355-D359 PolarHBondContact O-N 3.02Å; L357-D359 VanDerWaalsContact C-N 3.33Å; L357-D359 PolarHBondContact O-N 3.46Å; D359-N363 WeakPolarHBondContact O-CB 3.46Å; D359-N363 PolarHBondContact O-N 3.39Å; D359-N363 PolarHBondContact O-ND2 2.99Å |
| 360 | V | 82 | Confident | 77.2 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -50.6 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | W332 L335 K356 L357 T358 K362 N363 V364 | W332-V360 HydrophobicContact CD2-CG1 4.08Å; W332-V360 HydrophobicContact CE3-CG1 3.59Å; W332-V360 HydrophobicContact CH2-CG1 4.36Å; W332-V360 HydrophobicContact CZ3-CG1 3.73Å; L335-V360 HydrophobicContact CB-CG2 4.34Å; L335-V360 HydrophobicContact CD1-CB 4.16Å; L335-V360 HydrophobicContact CD1-CG2 3.8Å; K356-V360 VanDerWaalsContact O-CG2 3.29Å; K356-V360 WeakPolarHBondContact O-CG2 3.46Å; K356-V360 PolarHBondContact O-N 3.4Å; K356-V360 VanDerWaalsContact O-N 3.12Å; L357-V360 PolarHBondContact O-N 3.39Å; T358-V360 VanDerWaalsContact C-N 3.35Å; T358-V360 PolarHBondContact O-N 3.34Å; V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 3.35Å; V360-N363 PolarHBondContact O-N 2.87Å; V360-N363 VanDerWaalsContact O-N 3.1Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 WeakPolarHBondContact O-CG2 3.36Å; V360-V364 PolarHBondContact O-N 3.38Å |
| 361 | V | 85.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -44.4 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L357 T358 N363 V364 H365 Q403 V404 L407 L451 | L357-V361 PolarHBondContact O-N 3.26Å; T358-V361 PolarHBondContact O-N 2.94Å; V361-N363 VanDerWaalsContact C-N 3.33Å; V361-N363 PolarHBondContact O-N 3.23Å; V361-V364 PolarHBondContact O-N 3.11Å; V361-H365 WeakPolarHBondContact O-CB 3.14Å; V361-H365 PolarHBondContact O-N 3.15Å; V361-Q403 HydrophobicContact CG1-CB 3.98Å; V361-V404 HydrophobicContact CG1-CG2 3.79Å; V361-V404 HydrophobicContact CG2-CG2 4.4Å; V361-L407 HydrophobicContact CG1-CD1 4.44Å; V361-L451 HydrophobicContact CG2-CD2 3.91Å |
| 362 | K | 85.7 | Confident | 78.7 | Confident | 70 Ų | 70 | 39 Ų | 39 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.6 | -171.7 | 180 | -170.4 | -170.2 | 0 | 112.2 | T358 V360 R366 | T358-K362 VanDerWaalsContact O-CB 3.29Å; T358-K362 WeakPolarHBondContact O-CB 3.45Å; T358-K362 PolarHBondContact O-N 3.36Å; V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 3.35Å; K362-R366 WeakPolarHBondContact O-CB 3.15Å; K362-R366 WeakPolarHBondContact O-CD 3.4Å; K362-R366 VanDerWaalsContact O-CG 3.23Å; K362-R366 WeakPolarHBondContact O-CG 3.37Å; K362-R366 PolarHBondContact O-N 3.33Å |
| 363 | N | 81.1 | Confident | 79.1 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -38.5 | 178.8 | -71.6 | -30.9 | 0 | 0 | 0 | 112.6 | R296 D359 V360 V361 R366 L367 | R296-N363 WeakPolarHBondContact CG-OD1 3.32Å; R296-N363 PolarHBondContact NE-ND2 3.09Å; D359-N363 WeakPolarHBondContact O-CB 3.46Å; D359-N363 PolarHBondContact O-N 3.39Å; D359-N363 PolarHBondContact O-ND2 2.99Å; V360-N363 PolarHBondContact O-N 2.87Å; V360-N363 VanDerWaalsContact O-N 3.1Å; V361-N363 VanDerWaalsContact C-N 3.33Å; V361-N363 PolarHBondContact O-N 3.23Å; N363-R366 PolarHBondContact OD1-NH1 3.45Å; N363-L367 PolarHBondContact O-N 3.43Å; N363-L367 VanDerWaalsContact O-N 3.16Å |
| 364 | V | 85 | Confident | 79.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | I331 W332 V360 V361 R366 L367 F368 L379 L407 | I331-V364 HydrophobicContact CG2-CG2 3.35Å; W332-V364 HydrophobicContact CD2-CG2 4.21Å; W332-V364 VanDerWaalsContact CE2-CG2 3.41Å; W332-V364 HydrophobicContact CH2-CG2 4.06Å; W332-V364 HydrophobicContact CZ2-CB 4.09Å; W332-V364 HydrophobicContact CZ2-CG1 3.81Å; W332-V364 HydrophobicContact CZ2-CG2 3.36Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 WeakPolarHBondContact O-CG2 3.36Å; V360-V364 PolarHBondContact O-N 3.38Å; V361-V364 PolarHBondContact O-N 3.11Å; V364-R366 VanDerWaalsContact C-N 3.32Å; V364-R366 PolarHBondContact O-N 2.68Å; V364-L367 CarbonylContact O-C 3.57Å; V364-L367 WeakPolarHBondContact O-CA 3.36Å; V364-L367 PolarHBondContact O-N 2.92Å; V364-F368 HydrophobicContact CG1-CD2 3.61Å; V364-F368 HydrophobicContact CG1-CE2 3.96Å; V364-F368 VanDerWaalsContact O-CD2 3.29Å; V364-F368 WeakPolarHBondContact O-CD2 3.19Å; V364-F368 PolarHBondContact O-N 3.05Å; V364-L379 HydrophobicContact CG1-CD2 3.77Å; V364-L407 HydrophobicContact CB-CD1 4.21Å; V364-L407 HydrophobicContact CG1-CD1 3.77Å; V364-L407 HydrophobicContact CG1-CD2 3.96Å |
| 365 | H | 87.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.2 | -48.6 | 176.9 | -179 | -90.8 | 0 | 0 | 0 | 111.8 | V361 L367 F368 A369 Q403 E406 L407 | V361-H365 WeakPolarHBondContact O-CB 3.14Å; V361-H365 PolarHBondContact O-N 3.15Å; H365-L367 PolarHBondContact O-N 3.31Å; H365-F368 PolarHBondContact O-N 3.29Å; H365-F368 VanDerWaalsContact O-N 3.17Å; H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.41Å; H365-A369 PolarHBondContact O-N 3.43Å; H365-Q403 HydrophobicContact CB-CB 4.26Å; H365-Q403 HydrophobicContact CB-CG 4.26Å; H365-E406 IonicContact CD2-OE2 3.39Å; H365-E406 IonicContact CE1-OE2 3.26Å; H365-E406 IonicContact NE2-OE2 3.81Å; H365-E406 PolarHBondContact NE2-OE2 2.93Å; H365-L407 HydrophobicContact CB-CD1 4.17Å; H365-L407 HydrophobicContact CB-CD2 4.49Å; H365-L407 HydrophobicContact CB-CG 4.25Å |
| 366 | R | 84.4 | Confident | 81 | Confident | 41 Ų | 41 | 35.3 Ų | 35.3 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -28.7 | 175.4 | -74.7 | 164.7 | 170.2 | 178.7 | -7 | 114.1 | F295 R296 D298 Y309 K362 N363 V364 | F295-R366 WeakPolarHBondContact O-CD 3.31Å; R296-R366 PolarHBondContact O-NH1 3.46Å; R296-R366 VanDerWaalsContact O-NH1 3.1Å; D298-R366 IonicContact OD1-CZ 2.8Å; D298-R366 IonicContact OD1-NH2 3.37Å; D298-R366 PolarHBondContact OD1-NH2 3.14Å; D298-R366 IonicContact OD2-NH2 3.44Å; D298-R366 PolarHBondContact OD2-NH2 2.9Å; D298-R366 VanDerWaalsContact OD2-NH2 3.12Å; Y309-R366 PolarHBondContact OH-O 3.08Å; K362-R366 WeakPolarHBondContact O-CB 3.15Å; K362-R366 WeakPolarHBondContact O-CD 3.4Å; K362-R366 VanDerWaalsContact O-CG 3.23Å; K362-R366 WeakPolarHBondContact O-CG 3.37Å; K362-R366 PolarHBondContact O-N 3.33Å; N363-R366 PolarHBondContact OD1-NH1 3.45Å; V364-R366 VanDerWaalsContact C-N 3.32Å; V364-R366 PolarHBondContact O-N 2.68Å |
| 367 | L | 83.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -88.4 | -22.8 | 179.6 | -168.7 | 129.5 | 0 | 0 | 0 | 113.1 | F295 Y309 L312 L327 I331 N363 V364 H365 S371 | F295-L367 HydrophobicContact CD2-CD1 3.73Å; F295-L367 HydrophobicContact CD2-CG 4.43Å; F295-L367 HydrophobicContact CE2-CD1 3.85Å; F295-L367 HydrophobicContact CE2-CG 4.36Å; Y309-L367 WeakPolarHBondContact CE1-O 3.5Å; Y309-L367 PolarHBondContact OH-O 3.4Å; L312-L367 HydrophobicContact CD1-CD1 4.44Å; L327-L367 HydrophobicContact CD1-CD1 4.4Å; L327-L367 HydrophobicContact CD2-CD1 4.2Å; L327-L367 HydrophobicContact CD2-CD2 4.23Å; I331-L367 HydrophobicContact CD1-CD1 3.9Å; I331-L367 HydrophobicContact CD1-CD2 4.17Å; N363-L367 PolarHBondContact O-N 3.43Å; N363-L367 VanDerWaalsContact O-N 3.16Å; V364-L367 CarbonylContact O-C 3.57Å; V364-L367 WeakPolarHBondContact O-CA 3.36Å; V364-L367 PolarHBondContact O-N 2.92Å; H365-L367 PolarHBondContact O-N 3.31Å; L367-S371 WeakPolarHBondContact O-CB 3.12Å |
| 368 | F | 84.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -109.4 | -28.6 | -174.9 | -75.3 | -79.4 | 0 | 0 | 0 | 114.4 | V364 H365 N370 S371 L375 F376 L378 L379 L407 | V364-F368 HydrophobicContact CG1-CD2 3.61Å; V364-F368 HydrophobicContact CG1-CE2 3.96Å; V364-F368 VanDerWaalsContact O-CD2 3.29Å; V364-F368 WeakPolarHBondContact O-CD2 3.19Å; V364-F368 PolarHBondContact O-N 3.05Å; H365-F368 PolarHBondContact O-N 3.29Å; H365-F368 VanDerWaalsContact O-N 3.17Å; F368-N370 VanDerWaalsContact C-N 3.33Å; F368-N370 PolarHBondContact O-N 2.93Å; F368-S371 WeakPolarHBondContact CA-OG 3.47Å; F368-S371 WeakPolarHBondContact O-CB 3.44Å; F368-S371 PolarHBondContact O-N 3.32Å; F368-S371 PolarHBondContact O-OG 2.97Å; F368-L375 HydrophobicContact CE1-CB 4.02Å; F368-L375 WeakPolarHBondContact CE1-O 3.33Å; F368-F376 HydrophobicContact CB-CE1 4.43Å; F368-F376 HydrophobicContact CB-CZ 4.44Å; F368-F376 HydrophobicContact CD1-CD1 4.31Å; F368-F376 HydrophobicContact CD1-CE1 4.26Å; F368-F376 HydrophobicContact CD1-CZ 4.4Å; F368-L378 HydrophobicContact CZ-CB 4.08Å; F368-L379 HydrophobicContact CB-CD1 4.32Å; F368-L379 HydrophobicContact CD1-CD1 3.68Å; F368-L379 HydrophobicContact CD1-CG 3.94Å; F368-L379 HydrophobicContact CD2-CD1 4.01Å; F368-L379 HydrophobicContact CD2-CD2 3.76Å; F368-L379 HydrophobicContact CD2-CG 4Å; F368-L379 HydrophobicContact CE1-CD1 3.94Å; F368-L379 HydrophobicContact CE1-CD2 4.33Å; F368-L379 HydrophobicContact CE1-CG 3.66Å; F368-L379 HydrophobicContact CE2-CD1 4.25Å; F368-L379 HydrophobicContact CE2-CD2 3.44Å; F368-L379 VanDerWaalsContact CE2-CD2 3.44Å; F368-L379 HydrophobicContact CE2-CG 3.73Å; F368-L379 HydrophobicContact CG-CD1 3.72Å; F368-L379 HydrophobicContact CG-CD2 4.34Å; F368-L379 HydrophobicContact CG-CG 4.12Å; F368-L379 HydrophobicContact CZ-CD1 4.23Å; F368-L379 HydrophobicContact CZ-CD2 3.77Å; F368-L379 HydrophobicContact CZ-CG 3.56Å; F368-L407 HydrophobicContact CB-CD2 3.69Å; F368-L407 HydrophobicContact CG-CD2 4.44Å |
| 369 | A | 80.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -47.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H365 F410 | H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.41Å; H365-A369 PolarHBondContact O-N 3.43Å; A369-F410 HydrophobicContact CB-CE2 3.81Å; A369-F410 HydrophobicContact CB-CZ 4.25Å |
| 370 | N | 76.7 | Confident | 81.9 | Confident | 101 Ų | 101 | 29.5 Ų | 29.5 | 54% | 0.54 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 10.6 | -179.5 | -66.1 | -17.2 | 0 | 0 | 0 | 113.3 | Y309 F368 | Y309-N370 HydrophobicContact CE2-CB 3.8Å; F368-N370 VanDerWaalsContact C-N 3.33Å; F368-N370 PolarHBondContact O-N 2.93Å |
| 371 | S | 75.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | trans | -78.8 | 156.5 | -177.6 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | L367 F368 F376 K414 | L367-S371 WeakPolarHBondContact O-CB 3.12Å; F368-S371 WeakPolarHBondContact CA-OG 3.47Å; F368-S371 WeakPolarHBondContact O-CB 3.44Å; F368-S371 PolarHBondContact O-N 3.32Å; F368-S371 PolarHBondContact O-OG 2.97Å; S371-F376 VanDerWaalsContact OG-CE2 3.23Å; S371-F376 WeakPolarHBondContact OG-CE2 3.47Å; S371-K414 PolarHBondContact O-NZ 3.31Å | ||
| 372 | N | 73.3 | Confident | 81.7 | Confident | 82 Ų | 82 | 33.1 Ų | 33.1 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | trans | -73.4 | 157.6 | 170.4 | -68.2 | -17 | 0 | 0 | 0 | 110.8 | E374 L375 F376 | N372-E374 PolarHBondContact O-N 3.47Å; N372-L375 PolarHBondContact O-N 2.86Å; N372-F376 WeakPolarHBondContact O-CD2 3.39Å | ||
| 373 | H | 73.5 | Confident | 81.8 | Confident | 115 Ų | 115 | 29.9 Ų | 29.9 | 53% | 0.532 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -25.8 | 178.3 | 57.8 | -85 | 0 | 0 | 0 | 114.2 | L375 F376 K414 | H373-L375 VanDerWaalsContact C-N 3.34Å; H373-L375 PolarHBondContact O-N 3.24Å; H373-F376 PolarHBondContact O-N 3.48Å; H373-K414 HydrophobicContact CB-CB 4.32Å; H373-K414 WeakPolarHBondContact CB-O 3.33Å |
| 374 | E | 77.2 | Confident | 82 | Confident | 30 Ų | 30 | 29.2 Ų | 29.2 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.2 | -177.9 | -60.6 | 170.8 | -168.7 | 0 | 0 | 115 | S313 Y316 K317 N372 P377 | S313-E374 WeakPolarHBondContact CB-OE2 3.37Å; S313-E374 PolarHBondContact OG-OE2 3.25Å; Y316-E374 HydrophobicContact CD1-CB 4.2Å; K317-E374 WeakPolarHBondContact CE-OE1 2.99Å; K317-E374 WeakPolarHBondContact CE-OE2 3.41Å; K317-E374 IonicContact NZ-OE1 3.92Å; K317-E374 PolarHBondContact NZ-OE1 3.15Å; K317-E374 IonicContact NZ-OE2 3.58Å; K317-E374 PolarHBondContact NZ-OE2 3.43Å; N372-E374 PolarHBondContact O-N 3.47Å; E374-P377 WeakPolarHBondContact O-CD 3.45Å; E374-P377 WeakPolarHBondContact O-CG 3.35Å |
| 375 | L | 80.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -24.9 | -179.6 | -61.9 | -173.9 | 0 | 0 | 0 | 112.7 | Y309 L312 F368 N372 H373 P377 L378 | Y309-L375 HydrophobicContact CD1-CD1 4.11Å; L312-L375 HydrophobicContact CB-CD1 3.91Å; L312-L375 HydrophobicContact CB-CD2 3.86Å; L312-L375 HydrophobicContact CD1-CD1 4.09Å; F368-L375 HydrophobicContact CE1-CB 4.02Å; F368-L375 WeakPolarHBondContact CE1-O 3.33Å; N372-L375 PolarHBondContact O-N 2.86Å; H373-L375 VanDerWaalsContact C-N 3.34Å; H373-L375 PolarHBondContact O-N 3.24Å; L375-P377 VanDerWaalsContact C-N 3.3Å; L375-P377 VanDerWaalsContact O-N 3.16Å; L375-L378 HydrophobicContact CD2-CD1 4.36Å; L375-L378 WeakPolarHBondContact O-CB 3.3Å; L375-L378 WeakPolarHBondContact O-CG 3.48Å; L375-L378 PolarHBondContact O-N 3.24Å |
| 376 | F | 86.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -53.8 | -28.9 | -179.7 | -73.2 | -91.3 | 0 | 0 | 0 | 116.3 | F368 S371 N372 H373 L378 L379 F410 Y411 K414 R415 | F368-F376 HydrophobicContact CB-CE1 4.43Å; F368-F376 HydrophobicContact CB-CZ 4.44Å; F368-F376 HydrophobicContact CD1-CD1 4.31Å; F368-F376 HydrophobicContact CD1-CE1 4.26Å; F368-F376 HydrophobicContact CD1-CZ 4.4Å; S371-F376 VanDerWaalsContact OG-CE2 3.23Å; S371-F376 WeakPolarHBondContact OG-CE2 3.47Å; N372-F376 WeakPolarHBondContact O-CD2 3.39Å; H373-F376 PolarHBondContact O-N 3.48Å; F376-L378 PolarHBondContact O-N 3.44Å; F376-L379 HydrophobicContact CD1-CD1 3.88Å; F376-L379 HydrophobicContact CE1-CD1 4.18Å; F376-L379 WeakPolarHBondContact O-CB 3.49Å; F376-L379 PolarHBondContact O-N 3.48Å; F376-F410 HydrophobicContact CE1-CB 3.64Å; F376-F410 HydrophobicContact CZ-CB 3.78Å; F376-Y411 HydrophobicContact CD1-CD2 4.22Å; F376-K414 HydrophobicContact CD2-CB 4Å; F376-K414 HydrophobicContact CD2-CD 4.33Å; F376-K414 HydrophobicContact CE2-CB 3.89Å; F376-K414 HydrophobicContact CE2-CD 3.43Å; F376-K414 VanDerWaalsContact CE2-CD 3.43Å; F376-K414 HydrophobicContact CE2-CG 4.31Å; F376-K414 HydrophobicContact CG-CB 4.45Å; F376-K414 HydrophobicContact CZ-CB 4.27Å; F376-K414 HydrophobicContact CZ-CD 3.63Å; F376-R415 HydrophobicContact CB-CB 4.39Å |
| 377 | P | 85 | Confident | 82.3 | Confident | 19 Ų | 19 | 27 Ų | 27 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -51.8 | -26.5 | 167.9 | -9.7 | 0.6 | 0 | 0 | 0 | 114.9 | Y316 E374 L375 L379 D380 R415 | Y316-P377 HydrophobicContact CE1-CG 4.4Å; Y316-P377 HydrophobicContact CE2-CB 4.46Å; Y316-P377 HydrophobicContact CE2-CG 4.13Å; Y316-P377 WeakPolarHBondContact OH-CG 3.48Å; E374-P377 WeakPolarHBondContact O-CD 3.45Å; E374-P377 WeakPolarHBondContact O-CG 3.35Å; L375-P377 VanDerWaalsContact C-N 3.3Å; L375-P377 VanDerWaalsContact O-N 3.16Å; P377-L379 PolarHBondContact O-N 2.9Å; P377-D380 WeakPolarHBondContact O-CB 3.26Å; P377-D380 PolarHBondContact O-N 2.84Å; P377-R415 VanDerWaalsContact CA-CZ 3.42Å; P377-R415 VanDerWaalsContact CD-NH1 3.29Å |
| 378 | L | 80.5 | Confident | 82.5 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -72.6 | -16.4 | 176.9 | -60.6 | 168.3 | 0 | 0 | 0 | 113.1 | I324 L327 F368 L375 F376 F382 | I324-L378 HydrophobicContact CG2-CD1 3.35Å; I324-L378 HydrophobicContact CG2-CD2 3.38Å; I324-L378 HydrophobicContact CG2-CG 3.83Å; L327-L378 HydrophobicContact CD2-CD1 4.06Å; F368-L378 HydrophobicContact CZ-CB 4.08Å; L375-L378 HydrophobicContact CD2-CD1 4.36Å; L375-L378 WeakPolarHBondContact O-CB 3.3Å; L375-L378 WeakPolarHBondContact O-CG 3.48Å; L375-L378 PolarHBondContact O-N 3.24Å; F376-L378 PolarHBondContact O-N 3.44Å; L378-F382 WeakPolarHBondContact O-CD2 3.49Å; L378-F382 WeakPolarHBondContact O-CE2 3.01Å |
| 379 | L | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -81.4 | -22.6 | 171.4 | -71.3 | 176.4 | 0 | 0 | 0 | 112.2 | V364 F368 F376 P377 P381 F382 V383 Y411 | V364-L379 HydrophobicContact CG1-CD2 3.77Å; F368-L379 HydrophobicContact CB-CD1 4.32Å; F368-L379 HydrophobicContact CD1-CD1 3.68Å; F368-L379 HydrophobicContact CD1-CG 3.94Å; F368-L379 HydrophobicContact CD2-CD1 4.01Å; F368-L379 HydrophobicContact CD2-CD2 3.76Å; F368-L379 HydrophobicContact CD2-CG 4Å; F368-L379 HydrophobicContact CE1-CD1 3.94Å; F368-L379 HydrophobicContact CE1-CD2 4.33Å; F368-L379 HydrophobicContact CE1-CG 3.66Å; F368-L379 HydrophobicContact CE2-CD1 4.25Å; F368-L379 HydrophobicContact CE2-CD2 3.44Å; F368-L379 VanDerWaalsContact CE2-CD2 3.44Å; F368-L379 HydrophobicContact CE2-CG 3.73Å; F368-L379 HydrophobicContact CG-CD1 3.72Å; F368-L379 HydrophobicContact CG-CD2 4.34Å; F368-L379 HydrophobicContact CG-CG 4.12Å; F368-L379 HydrophobicContact CZ-CD1 4.23Å; F368-L379 HydrophobicContact CZ-CD2 3.77Å; F368-L379 HydrophobicContact CZ-CG 3.56Å; F376-L379 HydrophobicContact CD1-CD1 3.88Å; F376-L379 HydrophobicContact CE1-CD1 4.18Å; F376-L379 WeakPolarHBondContact O-CB 3.49Å; F376-L379 PolarHBondContact O-N 3.48Å; P377-L379 PolarHBondContact O-N 2.9Å; L379-P381 VanDerWaalsContact C-N 3.31Å; L379-P381 VanDerWaalsContact O-N 3.12Å; L379-F382 CarbonylContact O-C 3.59Å; L379-F382 WeakPolarHBondContact O-CA 3.48Å; L379-F382 PolarHBondContact O-N 2.98Å; L379-V383 HydrophobicContact CB-CG2 4.44Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.43Å; L379-V383 PolarHBondContact O-N 3.27Å; L379-V383 VanDerWaalsContact O-N 3.07Å; L379-Y411 HydrophobicContact CB-CD2 4.08Å; L379-Y411 HydrophobicContact CB-CE2 4.37Å; L379-Y411 HydrophobicContact CD1-CD2 4.45Å |
| 380 | D | 85.4 | Confident | 83.1 | Confident | 49 Ų | 49 | 27.7 Ų | 27.7 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -46.7 | -44.6 | -175.5 | -66.8 | 4.1 | 0 | 0 | 0 | 113.5 | P377 F382 Y411 R415 | P377-D380 WeakPolarHBondContact O-CB 3.26Å; P377-D380 PolarHBondContact O-N 2.84Å; D380-F382 PolarHBondContact O-N 3.28Å; D380-F382 VanDerWaalsContact O-N 3.16Å; D380-Y411 WeakPolarHBondContact OD1-CE2 3.48Å; D380-Y411 PolarHBondContact OD1-OH 2.91Å; D380-R415 IonicContact OD1-CZ 2.67Å; D380-R415 IonicContact OD1-NE 3.08Å; D380-R415 PolarHBondContact OD1-NE 3.02Å; D380-R415 IonicContact OD1-NH2 2.77Å; D380-R415 IonicContact OD2-CZ 2.93Å; D380-R415 IonicContact OD2-NE 3.95Å; D380-R415 IonicContact OD2-NH2 3.83Å; D380-R415 PolarHBondContact OD2-NH2 2.94Å |
| 381 | P | 80.8 | Confident | 83.7 | Confident | 85 Ų | 85 | 23 Ų | 23 | 55% | 0.552 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -66.6 | -15.7 | 179 | -19.8 | 34 | 0 | 0 | 0 | 114.6 | L379 | L379-P381 VanDerWaalsContact C-N 3.31Å; L379-P381 VanDerWaalsContact O-N 3.12Å |
| 382 | F | 81.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 25 Ų | 25 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -116.6 | -7.6 | -169.6 | -46.1 | -76.8 | 0 | 0 | 0 | 113.3 | W332 L336 L378 L379 D380 D384 F385 L386 | W332-F382 HydrophobicContact CB-CD1 3.62Å; W332-F382 HydrophobicContact CB-CE1 3.09Å; W332-F382 HydrophobicContact CB-CE2 4.41Å; W332-F382 HydrophobicContact CB-CG 4.47Å; W332-F382 HydrophobicContact CB-CZ 3.56Å; W332-F382 AromaticContact CD1-CD1 3.68Å; W332-F382 AromaticContact CD1-CD2 3.51Å; W332-F382 AromaticContact CD1-CE1 3.57Å; W332-F382 AromaticContact CD1-CE2 3.4Å; W332-F382 VanDerWaalsContact CD1-CE2 3.4Å; W332-F382 AromaticContact CD1-CG 3.66Å; W332-F382 AromaticContact CD1-CZ 3.44Å; W332-F382 VanDerWaalsContact CD1-CZ 3.44Å; W332-F382 HydrophobicContact CD2-CB 4.36Å; W332-F382 AromaticContact CD2-CD1 3.7Å; W332-F382 HydrophobicContact CD2-CD1 3.7Å; W332-F382 HydrophobicContact CD2-CE1 4.13Å; W332-F382 AromaticContact CD2-CG 3.95Å; W332-F382 HydrophobicContact CD2-CG 3.95Å; W332-F382 AromaticContact CE2-CG 3.82Å; W332-F382 HydrophobicContact CE3-CD1 4.29Å; W332-F382 AromaticContact CG-CD1 3.41Å; W332-F382 HydrophobicContact CG-CD1 3.41Å; W332-F382 VanDerWaalsContact CG-CD1 3.41Å; W332-F382 HydrophobicContact CG-CD2 4.13Å; W332-F382 AromaticContact CG-CE1 3.33Å; W332-F382 HydrophobicContact CG-CE1 3.33Å; W332-F382 HydrophobicContact CG-CE2 4.05Å; W332-F382 AromaticContact CG-CG 3.83Å; W332-F382 HydrophobicContact CG-CG 3.83Å; W332-F382 AromaticContact CG-CZ 3.68Å; W332-F382 HydrophobicContact CG-CZ 3.68Å; W332-F382 HydrophobicContact CZ2-CB 4.12Å; W332-F382 HydrophobicContact CZ2-CG 4.47Å; W332-F382 AromaticContact NE1-CD2 3.56Å; W332-F382 AromaticContact NE1-CE2 3.93Å; W332-F382 AromaticContact NE1-CG 3.64Å; L336-F382 HydrophobicContact CD1-CD1 3.61Å; L336-F382 HydrophobicContact CD1-CE1 3.31Å; L336-F382 HydrophobicContact CD2-CD1 4.5Å; L336-F382 HydrophobicContact CG-CD1 4.14Å; L336-F382 HydrophobicContact CG-CE1 4.06Å; L378-F382 WeakPolarHBondContact O-CD2 3.49Å; L378-F382 WeakPolarHBondContact O-CE2 3.01Å; L379-F382 CarbonylContact O-C 3.59Å; L379-F382 WeakPolarHBondContact O-CA 3.48Å; L379-F382 PolarHBondContact O-N 2.98Å; D380-F382 PolarHBondContact O-N 3.28Å; D380-F382 VanDerWaalsContact O-N 3.16Å; F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 2.68Å; F382-F385 WeakPolarHBondContact O-CB 3.39Å; F382-F385 PolarHBondContact O-N 3.07Å; F382-F385 VanDerWaalsContact O-N 3.09Å; F382-L386 PolarHBondContact O-N 3.41Å; F382-L386 VanDerWaalsContact O-N 3.08Å |
| 383 | V | 88.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -40.6 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | L379 F385 L386 L387 L408 Y411 A423 | L379-V383 HydrophobicContact CB-CG2 4.44Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.43Å; L379-V383 PolarHBondContact O-N 3.27Å; L379-V383 VanDerWaalsContact O-N 3.07Å; V383-F385 VanDerWaalsContact C-N 3.26Å; V383-F385 PolarHBondContact O-N 3.39Å; V383-L386 PolarHBondContact O-N 3.34Å; V383-L386 VanDerWaalsContact O-N 3.08Å; V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.06Å; V383-L387 WeakPolarHBondContact O-CB 3.5Å; V383-L387 WeakPolarHBondContact O-CG 3.46Å; V383-L387 PolarHBondContact O-N 2.72Å; V383-L408 HydrophobicContact CG1-CD2 4.27Å; V383-Y411 HydrophobicContact CB-CE1 4.49Å; V383-Y411 HydrophobicContact CG1-CD1 4.21Å; V383-Y411 HydrophobicContact CG1-CE1 3.9Å; V383-Y411 HydrophobicContact CG2-CD1 4.22Å; V383-Y411 HydrophobicContact CG2-CD2 4.08Å; V383-Y411 HydrophobicContact CG2-CE1 3.79Å; V383-Y411 HydrophobicContact CG2-CE2 3.63Å; V383-Y411 HydrophobicContact CG2-CG 4.37Å; V383-Y411 VanDerWaalsContact CG2-CZ 3.5Å; V383-A423 HydrophobicContact CB-CB 4.37Å; V383-A423 HydrophobicContact CG1-CB 4.16Å |
| 384 | D | 84.8 | Confident | 85.4 | Confident | 12 Ų | 12 | 18.1 Ų | 18.1 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | 177.2 | -58.4 | -8.9 | 0 | 0 | 0 | 111.3 | F382 S388 K426 | F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 2.68Å; D384-S388 PolarHBondContact O-N 2.98Å; D384-S388 VanDerWaalsContact O-N 3.12Å; D384-S388 PolarHBondContact O-OG 3.35Å; D384-K426 IonicContact OD2-NZ 2.67Å; D384-K426 PolarHBondContact OD2-NZ 2.89Å |
| 385 | F | 84.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 24.5 Ų | 24.5 | 9% | 0.088 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 176.6 | 172.6 | -82.6 | 0 | 0 | 0 | 111.5 | W332 L335 L357 F382 V383 L387 S388 A389 L441 F443 | W332-F385 HydrophobicContact CH2-CD1 4.11Å; W332-F385 HydrophobicContact CH2-CE1 4.17Å; W332-F385 AromaticContact CZ3-CD1 3.91Å; W332-F385 HydrophobicContact CZ3-CD1 3.91Å; W332-F385 AromaticContact CZ3-CE1 3.78Å; W332-F385 HydrophobicContact CZ3-CE1 3.78Å; W332-F385 HydrophobicContact CZ3-CZ 4.48Å; L335-F385 HydrophobicContact CD2-CE2 4.35Å; L335-F385 HydrophobicContact CD2-CZ 4.16Å; L357-F385 HydrophobicContact CD2-CZ 3.89Å; F382-F385 WeakPolarHBondContact O-CB 3.39Å; F382-F385 PolarHBondContact O-N 3.07Å; F382-F385 VanDerWaalsContact O-N 3.09Å; V383-F385 VanDerWaalsContact C-N 3.26Å; V383-F385 PolarHBondContact O-N 3.39Å; F385-L387 VanDerWaalsContact C-N 3.34Å; F385-L387 PolarHBondContact O-N 3.16Å; F385-S388 PolarHBondContact O-N 2.9Å; F385-A389 VanDerWaalsContact O-CB 3.28Å; F385-A389 WeakPolarHBondContact O-CB 3.32Å; F385-A389 PolarHBondContact O-N 3.27Å; F385-L441 HydrophobicContact CE2-CD2 4.36Å; F385-F443 HydrophobicContact CD2-CE1 4.13Å; F385-F443 AromaticContact CD2-CZ 3.55Å; F385-F443 HydrophobicContact CD2-CZ 3.55Å; F385-F443 HydrophobicContact CE1-CE1 4.25Å; F385-F443 HydrophobicContact CE1-CZ 4.38Å; F385-F443 AromaticContact CE2-CE1 3.3Å; F385-F443 HydrophobicContact CE2-CE1 3.3Å; F385-F443 HydrophobicContact CE2-CE2 4.44Å; F385-F443 AromaticContact CE2-CZ 3.19Å; F385-F443 HydrophobicContact CE2-CZ 3.19Å; F385-F443 HydrophobicContact CG-CZ 4.31Å; F385-F443 HydrophobicContact CZ-CD1 4.37Å; F385-F443 AromaticContact CZ-CE1 3.35Å; F385-F443 HydrophobicContact CZ-CE1 3.35Å; F385-F443 AromaticContact CZ-CZ 3.65Å; F385-F443 HydrophobicContact CZ-CZ 3.65Å |
| 386 | L | 89.5 | Confident | 85.9 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.1 | -69 | 173.2 | 0 | 0 | 0 | 111.9 | W332 F382 V383 Y390 V404 L407 L408 | W332-L386 HydrophobicContact CH2-CD2 3.98Å; W332-L386 HydrophobicContact CH2-CG 4.45Å; W332-L386 HydrophobicContact CZ2-CD2 4.43Å; F382-L386 PolarHBondContact O-N 3.41Å; F382-L386 VanDerWaalsContact O-N 3.08Å; V383-L386 PolarHBondContact O-N 3.34Å; V383-L386 VanDerWaalsContact O-N 3.08Å; L386-Y390 VanDerWaalsContact O-CB 3.25Å; L386-Y390 WeakPolarHBondContact O-CB 3.43Å; L386-Y390 PolarHBondContact O-N 3.34Å; L386-V404 HydrophobicContact CD2-CG1 4.34Å; L386-L407 HydrophobicContact CD2-CD1 4.44Å; L386-L408 HydrophobicContact CB-CD2 3.75Å; L386-L408 HydrophobicContact CB-CG 4.09Å |
| 387 | L | 90.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -50.6 | 176 | -74.3 | 170.1 | 0 | 0 | 0 | 111.3 | V383 F385 A389 Y390 V391 L408 F412 W427 V468 | V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.06Å; V383-L387 WeakPolarHBondContact O-CB 3.5Å; V383-L387 WeakPolarHBondContact O-CG 3.46Å; V383-L387 PolarHBondContact O-N 2.72Å; F385-L387 VanDerWaalsContact C-N 3.34Å; F385-L387 PolarHBondContact O-N 3.16Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 3.35Å; L387-Y390 PolarHBondContact O-N 2.9Å; L387-V391 WeakPolarHBondContact O-CG2 3.45Å; L387-V391 PolarHBondContact O-N 3.38Å; L387-L408 HydrophobicContact CD2-CD1 4.17Å; L387-L408 HydrophobicContact CD2-CD2 3.98Å; L387-L408 HydrophobicContact CG-CD2 4.11Å; L387-F412 HydrophobicContact CD2-CZ 4.05Å; L387-W427 HydrophobicContact CB-CD2 3.9Å; L387-W427 HydrophobicContact CB-CG 4.03Å; L387-W427 HydrophobicContact CB-CZ2 4.22Å; L387-W427 HydrophobicContact CD1-CB 3.78Å; L387-W427 HydrophobicContact CD1-CD2 3.84Å; L387-W427 HydrophobicContact CD1-CE3 4.07Å; L387-W427 HydrophobicContact CD1-CG 3.71Å; L387-W427 HydrophobicContact CG-CD2 4.45Å; L387-V468 HydrophobicContact CD2-CG1 4.2Å; L387-V468 HydrophobicContact CD2-CG2 4.01Å |
| 388 | S | 87.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | D384 F385 Y390 V391 D392 W427 E431 | D384-S388 PolarHBondContact O-N 2.98Å; D384-S388 VanDerWaalsContact O-N 3.12Å; D384-S388 PolarHBondContact O-OG 3.35Å; F385-S388 PolarHBondContact O-N 2.9Å; S388-Y390 PolarHBondContact O-N 3.15Å; S388-V391 PolarHBondContact O-N 3.06Å; S388-D392 PolarHBondContact O-N 2.91Å; S388-D392 VanDerWaalsContact O-N 3.14Å; S388-W427 PolarHBondContact OG-NE1 3.32Å; S388-E431 PolarHBondContact OG-OE1 3.48Å |
| 389 | A | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F385 L387 D392 I393 F443 | F385-A389 VanDerWaalsContact O-CB 3.28Å; F385-A389 WeakPolarHBondContact O-CB 3.32Å; F385-A389 PolarHBondContact O-N 3.27Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 3.35Å; A389-D392 PolarHBondContact O-N 3.35Å; A389-I393 WeakPolarHBondContact O-CG1 3.38Å; A389-I393 PolarHBondContact O-N 2.84Å; A389-F443 HydrophobicContact CB-CB 4.35Å; A389-F443 HydrophobicContact CB-CD1 4.18Å; A389-F443 HydrophobicContact CB-CD2 3.79Å; A389-F443 HydrophobicContact CB-CE1 4.48Å; A389-F443 HydrophobicContact CB-CE2 4.1Å; A389-F443 HydrophobicContact CB-CG 3.81Å; A389-F443 HydrophobicContact CB-CZ 4.43Å |
| 390 | Y | 90.9 | Very high | 86.1 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 178 | 173.5 | -110.9 | 0 | 0 | 0 | 111.6 | L386 L387 S388 D392 I393 R394 L408 S467 L471 | L386-Y390 VanDerWaalsContact O-CB 3.25Å; L386-Y390 WeakPolarHBondContact O-CB 3.43Å; L386-Y390 PolarHBondContact O-N 3.34Å; L387-Y390 PolarHBondContact O-N 2.9Å; S388-Y390 PolarHBondContact O-N 3.15Å; Y390-D392 VanDerWaalsContact C-N 3.29Å; Y390-D392 PolarHBondContact O-N 3.42Å; Y390-I393 PolarHBondContact O-N 3.34Å; Y390-R394 HydrophobicContact CE2-CB 4.29Å; Y390-R394 WeakPolarHBondContact O-CA 3.35Å; Y390-R394 VanDerWaalsContact O-CB 3.23Å; Y390-R394 WeakPolarHBondContact O-CB 3.23Å; Y390-R394 PolarHBondContact O-N 3.33Å; Y390-L408 VanDerWaalsContact CB-CD1 3.45Å; Y390-L408 HydrophobicContact CD1-CD1 4.17Å; Y390-L408 HydrophobicContact CD2-CD1 4.41Å; Y390-L408 HydrophobicContact CG-CD1 3.76Å; Y390-S467 PolarHBondContact OH-O 2.98Å; Y390-L471 HydrophobicContact CE1-CB 4.38Å; Y390-L471 HydrophobicContact CE1-CD2 4.24Å; Y390-L471 HydrophobicContact CE2-CD2 4.36Å |
| 391 | V | 88.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 178.5 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | L387 S388 I393 R394 W427 C464 V468 | L387-V391 WeakPolarHBondContact O-CG2 3.45Å; L387-V391 PolarHBondContact O-N 3.38Å; S388-V391 PolarHBondContact O-N 3.06Å; V391-I393 PolarHBondContact O-N 2.97Å; V391-R394 VanDerWaalsContact O-CD 3.23Å; V391-R394 WeakPolarHBondContact O-CD 3.31Å; V391-R394 WeakPolarHBondContact O-CG 3.42Å; V391-R394 PolarHBondContact O-NH1 3.34Å; V391-W427 HydrophobicContact CG2-CH2 3.98Å; V391-W427 HydrophobicContact CG2-CZ2 3.89Å; V391-C464 HydrophobicContact CG1-CB 4.24Å; V391-C464 WeakPolarHBondContact CG1-SG 3.25Å; V391-C464 HydrophobicContact CG2-CB 4.22Å; V391-V468 HydrophobicContact CG2-CG2 4.4Å |
| 392 | D | 86.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.3 | -34.9 | -175.1 | -65.8 | -23.6 | 0 | 0 | 0 | 112.7 | S388 A389 Y390 R442 F443 | S388-D392 PolarHBondContact O-N 2.91Å; S388-D392 VanDerWaalsContact O-N 3.14Å; A389-D392 PolarHBondContact O-N 3.35Å; Y390-D392 VanDerWaalsContact C-N 3.29Å; Y390-D392 PolarHBondContact O-N 3.42Å; D392-R442 IonicContact OD1-NH1 3.89Å; D392-R442 PolarHBondContact OD1-NH1 2.95Å; D392-R442 WeakPolarHBondContact OD2-CA 3.15Å; D392-R442 WeakPolarHBondContact OD2-CD 3.49Å; D392-R442 IonicContact OD2-NH1 2.96Å; D392-F443 HydrophobicContact CB-CB 4.07Å; D392-F443 VanDerWaalsContact CB-O 3.28Å; D392-F443 WeakPolarHBondContact CB-O 3.39Å; D392-F443 PolarHBondContact OD2-N 3.22Å |
| 393 | I | 87.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -102.5 | 0.9 | -172.6 | 78.7 | -168.5 | 0 | 0 | 0 | 115.1 | A389 Y390 V391 F395 S396 S401 V404 F443 V445 L451 | A389-I393 WeakPolarHBondContact O-CG1 3.38Å; A389-I393 PolarHBondContact O-N 2.84Å; Y390-I393 PolarHBondContact O-N 3.34Å; V391-I393 PolarHBondContact O-N 2.97Å; I393-F395 PolarHBondContact O-N 3.4Å; I393-S396 WeakPolarHBondContact O-CB 3.41Å; I393-S396 PolarHBondContact O-N 3.41Å; I393-S396 PolarHBondContact O-OG 2.81Å; I393-S401 PolarHBondContact O-OG 2.51Å; I393-V404 HydrophobicContact CD1-CB 4.33Å; I393-V404 HydrophobicContact CD1-CG2 4.04Å; I393-F443 HydrophobicContact CG2-CB 3.96Å; I393-V445 HydrophobicContact CB-CG2 3.78Å; I393-V445 HydrophobicContact CG2-CG2 3.67Å; I393-L451 HydrophobicContact CD1-CD1 3.93Å; I393-L451 HydrophobicContact CG2-CD1 3.89Å |
| 394 | R | 84.6 | Confident | 87.3 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 19% | 0.185 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -30.3 | -171.7 | 62.1 | -163.5 | -166.9 | -101.8 | 11.1 | 115.6 | Y390 V391 D461 S467 | Y390-R394 HydrophobicContact CE2-CB 4.29Å; Y390-R394 WeakPolarHBondContact O-CA 3.35Å; Y390-R394 VanDerWaalsContact O-CB 3.23Å; Y390-R394 WeakPolarHBondContact O-CB 3.23Å; Y390-R394 PolarHBondContact O-N 3.33Å; V391-R394 VanDerWaalsContact O-CD 3.23Å; V391-R394 WeakPolarHBondContact O-CD 3.31Å; V391-R394 WeakPolarHBondContact O-CG 3.42Å; V391-R394 PolarHBondContact O-NH1 3.34Å; R394-D461 IonicContact CZ-OD2 3.13Å; R394-D461 IonicContact NH1-OD2 2.82Å; R394-D461 PolarHBondContact NH1-OD2 2.86Å; R394-D461 IonicContact NH2-OD2 3.07Å; R394-D461 PolarHBondContact NH2-OD2 3.19Å; R394-S467 WeakPolarHBondContact CD-OG 3.45Å; R394-S467 PolarHBondContact NE-OG 2.76Å |
| 395 | F | 83.3 | Confident | 87.7 | Confident | 165 Ų | 165 | 38.9 Ų | 38.9 | 72% | 0.724 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4.9 | -179.7 | -58 | -60.9 | 0 | 0 | 0 | 113.3 | I393 | I393-F395 PolarHBondContact O-N 3.4Š|
| 396 | S | 84 | Confident | 88.1 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | trans | -78.9 | 132 | 174.1 | 76.2 | 0 | 0 | 0 | 0 | 110.3 | I393 S398 S401 | I393-S396 WeakPolarHBondContact O-CB 3.41Å; I393-S396 PolarHBondContact O-N 3.41Å; I393-S396 PolarHBondContact O-OG 2.81Å; S396-S398 PolarHBondContact O-N 2.81Å; S396-S398 VanDerWaalsContact O-N 3.12Å; S396-S398 PolarHBondContact OG-OG 3.43Å; S396-S398 VanDerWaalsContact OG-OG 3.11Å; S396-S401 WeakPolarHBondContact O-CB 3.27Å; S396-S401 PolarHBondContact O-OG 3.32Å; S396-S401 WeakPolarHBondContact OG-CB 3.32Å | ||
| 397 | N | 82.7 | Confident | 88.2 | Confident | 177 Ų | 177 | 40.5 Ų | 40.5 | 95% | 0.947 | 21% | 0.209 | S | C | * | . | trans | -82.2 | 28.9 | 173.7 | -72.6 | -22.6 | 0 | 0 | 0 | 112.3 | ||||
| 398 | S | 87.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | trans | -83.3 | 151.2 | -176.7 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | S396 C400 S401 Q402 | S396-S398 PolarHBondContact O-N 2.81Å; S396-S398 VanDerWaalsContact O-N 3.12Å; S396-S398 PolarHBondContact OG-OG 3.43Å; S396-S398 VanDerWaalsContact OG-OG 3.11Å; S398-C400 PolarHBondContact O-N 3.37Å; S398-S401 WeakPolarHBondContact O-CB 3.47Å; S398-S401 PolarHBondContact O-N 3.05Å; S398-S401 VanDerWaalsContact OG-CB 3.29Å; S398-S401 WeakPolarHBondContact OG-CB 3.32Å; S398-S401 PolarHBondContact OG-N 2.89Å; S398-S401 VanDerWaalsContact OG-N 3.09Å; S398-Q402 PolarHBondContact O-N 3.43Å; S398-Q402 VanDerWaalsContact O-N 3.11Å | ||
| 399 | T | 86.5 | Confident | 88.7 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 62% | 0.62 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.6 | -35.6 | 172.8 | -41 | 0 | 0 | 0 | 0 | 111.4 | Q402 Q403 | T399-Q402 PolarHBondContact O-N 2.86Å; T399-Q403 VanDerWaalsContact O-CG 3.29Å; T399-Q403 WeakPolarHBondContact O-CG 3.34Å; T399-Q403 PolarHBondContact O-N 2.53Å |
| 400 | C | 85.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | T358 S398 Q402 Q403 V404 | T358-C400 HydrophobicContact CG2-CB 4.5Å; S398-C400 PolarHBondContact O-N 3.37Å; C400-Q402 VanDerWaalsContact C-N 3.31Å; C400-Q402 PolarHBondContact O-N 3.04Å; C400-Q403 WeakPolarHBondContact O-CB 3.21Å; C400-Q403 PolarHBondContact O-N 2.85Å; C400-Q403 VanDerWaalsContact O-N 3.13Å; C400-V404 WeakPolarHBondContact O-CG2 3.39Å; C400-V404 PolarHBondContact O-N 3.34Å |
| 401 | S | 88.5 | Confident | 89 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | I393 S396 S398 Q403 V404 S405 | I393-S401 PolarHBondContact O-OG 2.51Å; S396-S401 WeakPolarHBondContact O-CB 3.27Å; S396-S401 PolarHBondContact O-OG 3.32Å; S396-S401 WeakPolarHBondContact OG-CB 3.32Å; S398-S401 WeakPolarHBondContact O-CB 3.47Å; S398-S401 PolarHBondContact O-N 3.05Å; S398-S401 VanDerWaalsContact OG-CB 3.29Å; S398-S401 WeakPolarHBondContact OG-CB 3.32Å; S398-S401 PolarHBondContact OG-N 2.89Å; S398-S401 VanDerWaalsContact OG-N 3.09Å; S401-Q403 PolarHBondContact O-N 3.5Å; S401-V404 PolarHBondContact O-N 3.14Å; S401-S405 WeakPolarHBondContact O-CB 3.44Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 3.41Å |
| 402 | Q | 91 | Very high | 89.3 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 173.8 | -173.7 | 176.7 | -7.5 | 0 | 0 | 111.3 | S398 T399 C400 V404 S405 E406 | S398-Q402 PolarHBondContact O-N 3.43Å; S398-Q402 VanDerWaalsContact O-N 3.11Å; T399-Q402 PolarHBondContact O-N 2.86Å; C400-Q402 VanDerWaalsContact C-N 3.31Å; C400-Q402 PolarHBondContact O-N 3.04Å; Q402-V404 PolarHBondContact O-N 2.91Å; Q402-S405 PolarHBondContact O-N 3.06Å; Q402-S405 PolarHBondContact O-OG 3.36Å; Q402-E406 HydrophobicContact CG-CG 4.34Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.38Å; Q402-E406 PolarHBondContact NE2-OE1 3.31Å; Q402-E406 WeakPolarHBondContact O-CB 3.42Å; Q402-E406 WeakPolarHBondContact O-CG 3.3Å; Q402-E406 PolarHBondContact O-N 3.01Å |
| 403 | Q | 91.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 179 | -73.9 | 176.3 | -33.8 | 0 | 0 | 113.3 | V361 H365 T399 C400 S401 E406 L407 | V361-Q403 HydrophobicContact CG1-CB 3.98Å; H365-Q403 HydrophobicContact CB-CB 4.26Å; H365-Q403 HydrophobicContact CB-CG 4.26Å; T399-Q403 VanDerWaalsContact O-CG 3.29Å; T399-Q403 WeakPolarHBondContact O-CG 3.34Å; T399-Q403 PolarHBondContact O-N 2.53Å; C400-Q403 WeakPolarHBondContact O-CB 3.21Å; C400-Q403 PolarHBondContact O-N 2.85Å; C400-Q403 VanDerWaalsContact O-N 3.13Å; S401-Q403 PolarHBondContact O-N 3.5Å; Q403-E406 PolarHBondContact O-N 3.03Å; Q403-L407 WeakPolarHBondContact O-CB 3.46Å; Q403-L407 VanDerWaalsContact O-CG 3.3Å; Q403-L407 WeakPolarHBondContact O-CG 3.42Å; Q403-L407 PolarHBondContact O-N 3.46Å |
| 404 | V | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V361 L386 I393 C400 S401 Q402 E406 L407 L408 | V361-V404 HydrophobicContact CG1-CG2 3.79Å; V361-V404 HydrophobicContact CG2-CG2 4.4Å; L386-V404 HydrophobicContact CD2-CG1 4.34Å; I393-V404 HydrophobicContact CD1-CB 4.33Å; I393-V404 HydrophobicContact CD1-CG2 4.04Å; C400-V404 WeakPolarHBondContact O-CG2 3.39Å; C400-V404 PolarHBondContact O-N 3.34Å; S401-V404 PolarHBondContact O-N 3.14Å; Q402-V404 PolarHBondContact O-N 2.91Å; V404-E406 PolarHBondContact O-N 3.45Å; V404-L407 PolarHBondContact O-N 2.9Å; V404-L408 HydrophobicContact CG1-CD1 4.39Å; V404-L408 PolarHBondContact O-N 3.02Å |
| 405 | S | 92.4 | Very high | 90 | Very high | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 178.6 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | S401 Q402 L408 W409 | S401-S405 WeakPolarHBondContact O-CB 3.44Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 3.41Å; Q402-S405 PolarHBondContact O-N 3.06Å; Q402-S405 PolarHBondContact O-OG 3.36Å; S405-L408 PolarHBondContact O-N 3.04Å; S405-W409 WeakPolarHBondContact O-CB 3.43Å; S405-W409 PolarHBondContact O-N 3.38Å |
| 406 | E | 93.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67 | -42.7 | 176.9 | -76.2 | 178.9 | -172.8 | 0 | 0 | 111.1 | H365 Q402 Q403 V404 L408 W409 F410 | H365-E406 IonicContact CD2-OE2 3.39Å; H365-E406 IonicContact CE1-OE2 3.26Å; H365-E406 IonicContact NE2-OE2 3.81Å; H365-E406 PolarHBondContact NE2-OE2 2.93Å; Q402-E406 HydrophobicContact CG-CG 4.34Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.38Å; Q402-E406 PolarHBondContact NE2-OE1 3.31Å; Q402-E406 WeakPolarHBondContact O-CB 3.42Å; Q402-E406 WeakPolarHBondContact O-CG 3.3Å; Q402-E406 PolarHBondContact O-N 3.01Å; Q403-E406 PolarHBondContact O-N 3.03Å; V404-E406 PolarHBondContact O-N 3.45Å; E406-L408 PolarHBondContact O-N 2.87Å; E406-W409 PolarHBondContact O-N 3.12Å; E406-F410 HydrophobicContact CB-CD2 4.34Å; E406-F410 HydrophobicContact CB-CE2 3.99Å; E406-F410 WeakPolarHBondContact O-CB 3.34Å; E406-F410 WeakPolarHBondContact O-CD2 3.32Å; E406-F410 VanDerWaalsContact O-CG 3.29Å; E406-F410 WeakPolarHBondContact O-CG 3.41Å; E406-F410 PolarHBondContact O-N 3.34Å |
| 407 | L | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 176 | -83.5 | 172.4 | 0 | 0 | 0 | 112.2 | V361 V364 H365 F368 L386 Q403 V404 F410 Y411 | V361-L407 HydrophobicContact CG1-CD1 4.44Å; V364-L407 HydrophobicContact CB-CD1 4.21Å; V364-L407 HydrophobicContact CG1-CD1 3.77Å; V364-L407 HydrophobicContact CG1-CD2 3.96Å; H365-L407 HydrophobicContact CB-CD1 4.17Å; H365-L407 HydrophobicContact CB-CD2 4.49Å; H365-L407 HydrophobicContact CB-CG 4.25Å; F368-L407 HydrophobicContact CB-CD2 3.69Å; F368-L407 HydrophobicContact CG-CD2 4.44Å; L386-L407 HydrophobicContact CD2-CD1 4.44Å; Q403-L407 WeakPolarHBondContact O-CB 3.46Å; Q403-L407 VanDerWaalsContact O-CG 3.3Å; Q403-L407 WeakPolarHBondContact O-CG 3.42Å; Q403-L407 PolarHBondContact O-N 3.46Å; V404-L407 PolarHBondContact O-N 2.9Å; L407-F410 PolarHBondContact O-N 3.03Å; L407-Y411 WeakPolarHBondContact O-CB 3.41Å; L407-Y411 PolarHBondContact O-N 3.1Å |
| 408 | L | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.3 | -76.5 | 175.4 | 0 | 0 | 0 | 111.6 | V383 L386 L387 Y390 V404 S405 E406 F410 Y411 F412 L471 | V383-L408 HydrophobicContact CG1-CD2 4.27Å; L386-L408 HydrophobicContact CB-CD2 3.75Å; L386-L408 HydrophobicContact CB-CG 4.09Å; L387-L408 HydrophobicContact CD2-CD1 4.17Å; L387-L408 HydrophobicContact CD2-CD2 3.98Å; L387-L408 HydrophobicContact CG-CD2 4.11Å; Y390-L408 VanDerWaalsContact CB-CD1 3.45Å; Y390-L408 HydrophobicContact CD1-CD1 4.17Å; Y390-L408 HydrophobicContact CD2-CD1 4.41Å; Y390-L408 HydrophobicContact CG-CD1 3.76Å; V404-L408 HydrophobicContact CG1-CD1 4.39Å; V404-L408 PolarHBondContact O-N 3.02Å; S405-L408 PolarHBondContact O-N 3.04Å; E406-L408 PolarHBondContact O-N 2.87Å; L408-F410 PolarHBondContact O-N 3.38Å; L408-Y411 WeakPolarHBondContact O-CB 3.45Å; L408-Y411 PolarHBondContact O-N 3.2Å; L408-F412 HydrophobicContact CB-CE2 4.31Å; L408-F412 HydrophobicContact CB-CZ 4.31Å; L408-F412 HydrophobicContact CD2-CZ 4.33Å; L408-F412 WeakPolarHBondContact O-CD1 3.29Å; L408-F412 WeakPolarHBondContact O-CD2 3.35Å; L408-F412 WeakPolarHBondContact O-CG 3.41Å; L408-F412 PolarHBondContact O-N 3.43Å; L408-L471 HydrophobicContact CB-CD2 3.51Å; L408-L471 HydrophobicContact CD1-CD2 4.1Å; L408-L471 HydrophobicContact CG-CD2 4.49Å |
| 409 | W | 93.7 | Very high | 91.5 | Very high | 83 Ų | 83 | 38 Ų | 38 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 175.3 | 174.9 | 72.3 | 0 | 0 | 0 | 111.8 | S405 E406 Y411 F412 E413 L471 K474 | S405-W409 WeakPolarHBondContact O-CB 3.43Å; S405-W409 PolarHBondContact O-N 3.38Å; E406-W409 PolarHBondContact O-N 3.12Å; W409-Y411 VanDerWaalsContact C-N 3.28Å; W409-Y411 PolarHBondContact O-N 3.27Å; W409-F412 PolarHBondContact O-N 3.2Å; W409-E413 WeakPolarHBondContact O-CB 3.4Å; W409-E413 PolarHBondContact O-N 2.92Å; W409-L471 HydrophobicContact CB-CD1 4.07Å; W409-L471 HydrophobicContact CB-CG 4.5Å; W409-K474 PolarHBondContact NE1-O 3.15Å; W409-K474 VanDerWaalsContact NE1-O 3.1Å |
| 410 | F | 92.4 | Very high | 91.9 | Very high | 29 Ų | 29 | 33.2 Ų | 33.2 | 13% | 0.127 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 175.1 | -70.2 | -53.6 | 0 | 0 | 0 | 112.1 | A369 F376 E406 L407 L408 E413 K414 | A369-F410 HydrophobicContact CB-CE2 3.81Å; A369-F410 HydrophobicContact CB-CZ 4.25Å; F376-F410 HydrophobicContact CE1-CB 3.64Å; F376-F410 HydrophobicContact CZ-CB 3.78Å; E406-F410 HydrophobicContact CB-CD2 4.34Å; E406-F410 HydrophobicContact CB-CE2 3.99Å; E406-F410 WeakPolarHBondContact O-CB 3.34Å; E406-F410 WeakPolarHBondContact O-CD2 3.32Å; E406-F410 VanDerWaalsContact O-CG 3.29Å; E406-F410 WeakPolarHBondContact O-CG 3.41Å; E406-F410 PolarHBondContact O-N 3.34Å; L407-F410 PolarHBondContact O-N 3.03Å; L408-F410 PolarHBondContact O-N 3.38Å; F410-E413 PolarHBondContact O-N 3.41Å; F410-K414 WeakPolarHBondContact O-CB 3.15Å; F410-K414 PolarHBondContact O-N 3.35Å |
| 411 | Y | 93.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.4 | 179.9 | -97.4 | 0 | 0 | 0 | 111.1 | F376 L379 D380 V383 L407 L408 W409 E413 R415 V420 | F376-Y411 HydrophobicContact CD1-CD2 4.22Å; L379-Y411 HydrophobicContact CB-CD2 4.08Å; L379-Y411 HydrophobicContact CB-CE2 4.37Å; L379-Y411 HydrophobicContact CD1-CD2 4.45Å; D380-Y411 WeakPolarHBondContact OD1-CE2 3.48Å; D380-Y411 PolarHBondContact OD1-OH 2.91Å; V383-Y411 HydrophobicContact CB-CE1 4.49Å; V383-Y411 HydrophobicContact CG1-CD1 4.21Å; V383-Y411 HydrophobicContact CG1-CE1 3.9Å; V383-Y411 HydrophobicContact CG2-CD1 4.22Å; V383-Y411 HydrophobicContact CG2-CD2 4.08Å; V383-Y411 HydrophobicContact CG2-CE1 3.79Å; V383-Y411 HydrophobicContact CG2-CE2 3.63Å; V383-Y411 HydrophobicContact CG2-CG 4.37Å; V383-Y411 VanDerWaalsContact CG2-CZ 3.5Å; L407-Y411 WeakPolarHBondContact O-CB 3.41Å; L407-Y411 PolarHBondContact O-N 3.1Å; L408-Y411 WeakPolarHBondContact O-CB 3.45Å; L408-Y411 PolarHBondContact O-N 3.2Å; W409-Y411 VanDerWaalsContact C-N 3.28Å; W409-Y411 PolarHBondContact O-N 3.27Å; Y411-E413 VanDerWaalsContact C-N 3.33Å; Y411-E413 PolarHBondContact O-N 3.12Å; Y411-R415 HydrophobicContact CD2-CB 4.04Å; Y411-R415 HydrophobicContact CD2-CG 4.17Å; Y411-R415 HydrophobicContact CE2-CB 3.96Å; Y411-R415 HydrophobicContact CE2-CG 3.58Å; Y411-R415 HydrophobicContact CG-CB 4.4Å; Y411-R415 WeakPolarHBondContact O-CB 3.33Å; Y411-R415 PolarHBondContact O-N 3.15Å; Y411-V420 HydrophobicContact CD1-CG2 4.14Å; Y411-V420 HydrophobicContact CE1-CB 4.21Å; Y411-V420 HydrophobicContact CE1-CG1 4.25Å; Y411-V420 HydrophobicContact CE1-CG2 3.73Å |
| 412 | F | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -35 | 177.3 | -57.9 | -23.5 | 0 | 0 | 0 | 113.1 | L387 L408 W409 V420 V468 L471 L472 V475 | L387-F412 HydrophobicContact CD2-CZ 4.05Å; L408-F412 HydrophobicContact CB-CE2 4.31Å; L408-F412 HydrophobicContact CB-CZ 4.31Å; L408-F412 HydrophobicContact CD2-CZ 4.33Å; L408-F412 WeakPolarHBondContact O-CD1 3.29Å; L408-F412 WeakPolarHBondContact O-CD2 3.35Å; L408-F412 WeakPolarHBondContact O-CG 3.41Å; L408-F412 PolarHBondContact O-N 3.43Å; W409-F412 PolarHBondContact O-N 3.2Å; F412-V420 HydrophobicContact CD1-CG1 3.48Å; F412-V420 VanDerWaalsContact CD1-CG1 3.48Å; F412-V420 HydrophobicContact CE1-CG1 3.94Å; F412-V420 HydrophobicContact CG-CG1 4.4Å; F412-V468 HydrophobicContact CE2-CG1 4.36Å; F412-V468 HydrophobicContact CZ-CG1 4.14Å; F412-L471 HydrophobicContact CD2-CD2 4.38Å; F412-L471 HydrophobicContact CD2-CG 4.23Å; F412-L471 HydrophobicContact CE2-CB 4.27Å; F412-L471 HydrophobicContact CE2-CD2 3.81Å; F412-L471 HydrophobicContact CE2-CG 4Å; F412-L472 HydrophobicContact CB-CD2 4.14Å; F412-L472 HydrophobicContact CD1-CD2 4.13Å; F412-L472 HydrophobicContact CD2-CD2 3.52Å; F412-L472 HydrophobicContact CD2-CG 4.1Å; F412-L472 HydrophobicContact CE1-CD2 4.43Å; F412-L472 HydrophobicContact CE2-CD2 3.83Å; F412-L472 HydrophobicContact CE2-CG 4.07Å; F412-L472 HydrophobicContact CG-CD2 3.68Å; F412-L472 HydrophobicContact CZ-CD2 4.29Å; F412-V475 HydrophobicContact CB-CG1 3.72Å |
| 413 | E | 91.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74.8 | -44 | -179.3 | -174.7 | 67.5 | -152.2 | 0 | 0 | 112.6 | W409 F410 Y411 V475 S476 | W409-E413 WeakPolarHBondContact O-CB 3.4Å; W409-E413 PolarHBondContact O-N 2.92Å; F410-E413 PolarHBondContact O-N 3.41Å; Y411-E413 VanDerWaalsContact C-N 3.33Å; Y411-E413 PolarHBondContact O-N 3.12Å; E413-V475 WeakPolarHBondContact OE2-CA 3.48Å; E413-V475 VanDerWaalsContact OE2-CB 3.23Å; E413-V475 WeakPolarHBondContact OE2-CB 2.97Å; E413-S476 WeakPolarHBondContact OE1-CB 3.15Å; E413-S476 PolarHBondContact OE1-OG 3.31Å; E413-S476 PolarHBondContact OE2-N 2.96Å |
| 414 | K | 89.8 | Confident | 92.4 | Very high | 71 Ų | 71 | 31.3 Ų | 31.3 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -105.9 | -20.9 | -166.3 | -64.1 | 177.6 | 174.4 | 178.1 | 0 | 114.4 | S371 H373 F376 F410 | S371-K414 PolarHBondContact O-NZ 3.31Å; H373-K414 HydrophobicContact CB-CB 4.32Å; H373-K414 WeakPolarHBondContact CB-O 3.33Å; F376-K414 HydrophobicContact CD2-CB 4Å; F376-K414 HydrophobicContact CD2-CD 4.33Å; F376-K414 HydrophobicContact CE2-CB 3.89Å; F376-K414 HydrophobicContact CE2-CD 3.43Å; F376-K414 VanDerWaalsContact CE2-CD 3.43Å; F376-K414 HydrophobicContact CE2-CG 4.31Å; F376-K414 HydrophobicContact CG-CB 4.45Å; F376-K414 HydrophobicContact CZ-CB 4.27Å; F376-K414 HydrophobicContact CZ-CD 3.63Å; F410-K414 WeakPolarHBondContact O-CB 3.15Å; F410-K414 PolarHBondContact O-N 3.35Å |
| 415 | R | 91.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 32 Ų | 32 | 19% | 0.185 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -78.6 | 157.8 | 177.9 | -168.3 | 69 | 178.7 | 123.3 | 3.2 | 110.2 | F376 P377 D380 Y411 A417 V420 | F376-R415 HydrophobicContact CB-CB 4.39Å; P377-R415 VanDerWaalsContact CA-CZ 3.42Å; P377-R415 VanDerWaalsContact CD-NH1 3.29Å; D380-R415 IonicContact OD1-CZ 2.67Å; D380-R415 IonicContact OD1-NE 3.08Å; D380-R415 PolarHBondContact OD1-NE 3.02Å; D380-R415 IonicContact OD1-NH2 2.77Å; D380-R415 IonicContact OD2-CZ 2.93Å; D380-R415 IonicContact OD2-NE 3.95Å; D380-R415 IonicContact OD2-NH2 3.83Å; D380-R415 PolarHBondContact OD2-NH2 2.94Å; Y411-R415 HydrophobicContact CD2-CB 4.04Å; Y411-R415 HydrophobicContact CD2-CG 4.17Å; Y411-R415 HydrophobicContact CE2-CB 3.96Å; Y411-R415 HydrophobicContact CE2-CG 3.58Å; Y411-R415 HydrophobicContact CG-CB 4.4Å; Y411-R415 WeakPolarHBondContact O-CB 3.33Å; Y411-R415 PolarHBondContact O-N 3.15Å; R415-A417 PolarHBondContact O-N 3.03Å; R415-V420 HydrophobicContact CB-CG2 3.75Å; R415-V420 HydrophobicContact CG-CG2 4.05Å |
| 416 | N | 90.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 40% | 0.401 | 18% | 0.182 | S | C | . | . | trans | -63.1 | 129.2 | 172.3 | 62.1 | -44 | 0 | 0 | 0 | 110.5 | S418 S419 V420 | N416-S418 VanDerWaalsContact C-N 3.27Å; N416-S418 PolarHBondContact O-N 3.12Å; N416-S418 VanDerWaalsContact O-N 3.14Å; N416-S419 PolarHBondContact ND2-OG 3.37Å; N416-S419 PolarHBondContact O-N 2.99Å; N416-S419 WeakPolarHBondContact OD1-CB 3.26Å; N416-S419 PolarHBondContact OD1-OG 3.42Å; N416-V420 PolarHBondContact O-N 2.7Å | ||
| 417 | A | 92.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.4 | -41 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R415 S419 V420 C421 N482 L483 A486 | R415-A417 PolarHBondContact O-N 3.03Å; A417-S419 PolarHBondContact O-N 3.31Å; A417-V420 WeakPolarHBondContact O-CB 3.34Å; A417-V420 PolarHBondContact O-N 3.35Å; A417-V420 VanDerWaalsContact O-N 3.16Å; A417-C421 PolarHBondContact O-N 3.46Å; A417-C421 PolarHBondContact O-SG 3.3Å; A417-N482 VanDerWaalsContact CB-C 3.5Å; A417-N482 HydrophobicContact CB-CB 3.92Å; A417-N482 VanDerWaalsContact CB-O 3.3Å; A417-N482 WeakPolarHBondContact CB-O 3.47Å; A417-L483 HydrophobicContact CB-CD2 4.03Å; A417-L483 HydrophobicContact CB-CG 4.31Å; A417-A486 HydrophobicContact CB-CB 3.83Å |
| 418 | S | 91.5 | Very high | 91.5 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 42% | 0.42 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 113.1 | N416 C421 N422 | N416-S418 VanDerWaalsContact C-N 3.27Å; N416-S418 PolarHBondContact O-N 3.12Å; N416-S418 VanDerWaalsContact O-N 3.14Å; S418-C421 PolarHBondContact O-N 2.95Å; S418-N422 WeakPolarHBondContact O-CB 3.41Å; S418-N422 PolarHBondContact O-N 3.34Å; S418-N422 PolarHBondContact O-ND2 3.47Å; S418-N422 VanDerWaalsContact O-ND2 3.17Å |
| 419 | S | 92.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70 | -34.6 | 176 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | N416 A417 A423 | N416-S419 PolarHBondContact ND2-OG 3.37Å; N416-S419 PolarHBondContact O-N 2.99Å; N416-S419 WeakPolarHBondContact OD1-CB 3.26Å; N416-S419 PolarHBondContact OD1-OG 3.42Å; A417-S419 PolarHBondContact O-N 3.31Å; S419-A423 WeakPolarHBondContact O-CB 3.3Å; S419-A423 PolarHBondContact O-N 3.02Å |
| 420 | V | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -51.9 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | Y411 F412 R415 N416 A417 N422 A423 I424 L483 | Y411-V420 HydrophobicContact CD1-CG2 4.14Å; Y411-V420 HydrophobicContact CE1-CB 4.21Å; Y411-V420 HydrophobicContact CE1-CG1 4.25Å; Y411-V420 HydrophobicContact CE1-CG2 3.73Å; F412-V420 HydrophobicContact CD1-CG1 3.48Å; F412-V420 VanDerWaalsContact CD1-CG1 3.48Å; F412-V420 HydrophobicContact CE1-CG1 3.94Å; F412-V420 HydrophobicContact CG-CG1 4.4Å; R415-V420 HydrophobicContact CB-CG2 3.75Å; R415-V420 HydrophobicContact CG-CG2 4.05Å; N416-V420 PolarHBondContact O-N 2.7Å; A417-V420 WeakPolarHBondContact O-CB 3.34Å; A417-V420 PolarHBondContact O-N 3.35Å; A417-V420 VanDerWaalsContact O-N 3.16Å; V420-N422 VanDerWaalsContact C-N 3.34Å; V420-N422 PolarHBondContact O-N 2.98Å; V420-A423 WeakPolarHBondContact O-CB 3.33Å; V420-A423 PolarHBondContact O-N 3.02Å; V420-A423 VanDerWaalsContact O-N 3.16Å; V420-I424 HydrophobicContact CG1-CD1 3.98Å; V420-I424 WeakPolarHBondContact O-CG1 3.5Å; V420-I424 PolarHBondContact O-N 3.08Å; V420-L483 HydrophobicContact CB-CD2 3.72Å; V420-L483 HydrophobicContact CG1-CD2 3.61Å; V420-L483 HydrophobicContact CG2-CD2 4.33Å |
| 421 | C | 93.3 | Very high | 89 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 178.5 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | A417 S418 A423 I424 V425 L487 I490 | A417-C421 PolarHBondContact O-N 3.46Å; A417-C421 PolarHBondContact O-SG 3.3Å; S418-C421 PolarHBondContact O-N 2.95Å; C421-A423 VanDerWaalsContact C-N 3.33Å; C421-A423 PolarHBondContact O-N 3.22Å; C421-I424 PolarHBondContact O-N 3.35Å; C421-V425 WeakPolarHBondContact O-CG2 3.34Å; C421-V425 PolarHBondContact O-N 2.85Å; C421-L487 HydrophobicContact CB-CD1 3.98Å; C421-I490 HydrophobicContact CB-CD1 3.58Å |
| 422 | N | 91.3 | Very high | 87.7 | Confident | 81 Ų | 81 | 40.7 Ų | 40.7 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 176.5 | -73.5 | -25.2 | 0 | 0 | 0 | 112.5 | S418 V420 K426 | S418-N422 WeakPolarHBondContact O-CB 3.41Å; S418-N422 PolarHBondContact O-N 3.34Å; S418-N422 PolarHBondContact O-ND2 3.47Å; S418-N422 VanDerWaalsContact O-ND2 3.17Å; V420-N422 VanDerWaalsContact C-N 3.34Å; V420-N422 PolarHBondContact O-N 2.98Å; N422-K426 VanDerWaalsContact O-CB 3.26Å; N422-K426 WeakPolarHBondContact O-CB 3.45Å; N422-K426 PolarHBondContact O-N 3.12Å |
| 423 | A | 91.5 | Very high | 85.8 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V383 S419 V420 C421 V425 K426 W427 | V383-A423 HydrophobicContact CB-CB 4.37Å; V383-A423 HydrophobicContact CG1-CB 4.16Å; S419-A423 WeakPolarHBondContact O-CB 3.3Å; S419-A423 PolarHBondContact O-N 3.02Å; V420-A423 WeakPolarHBondContact O-CB 3.33Å; V420-A423 PolarHBondContact O-N 3.02Å; V420-A423 VanDerWaalsContact O-N 3.16Å; C421-A423 VanDerWaalsContact C-N 3.33Å; C421-A423 PolarHBondContact O-N 3.22Å; A423-V425 PolarHBondContact O-N 3.24Å; A423-K426 PolarHBondContact O-N 3.06Å; A423-W427 WeakPolarHBondContact O-CB 3.17Å; A423-W427 PolarHBondContact O-N 2.86Å |
| 424 | I | 91.9 | Very high | 83.9 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.9 | -66.5 | 168.7 | 0 | 0 | 0 | 110.7 | V420 C421 K426 W427 L428 I465 L472 | V420-I424 HydrophobicContact CG1-CD1 3.98Å; V420-I424 WeakPolarHBondContact O-CG1 3.5Å; V420-I424 PolarHBondContact O-N 3.08Å; C421-I424 PolarHBondContact O-N 3.35Å; I424-K426 PolarHBondContact O-N 2.99Å; I424-W427 PolarHBondContact O-N 3.41Å; I424-L428 HydrophobicContact CG2-CD1 3.99Å; I424-L428 HydrophobicContact CG2-CG 4.39Å; I424-L428 WeakPolarHBondContact O-CB 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.37Å; I424-L428 PolarHBondContact O-N 3.36Å; I424-I465 HydrophobicContact CG2-CD1 4.25Å; I424-L472 HydrophobicContact CD1-CD1 4.18Å; I424-L472 HydrophobicContact CD1-CD2 4.39Å |
| 425 | V | 89 | Confident | 82 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | C421 A423 W427 L428 K429 I490 L514 | C421-V425 WeakPolarHBondContact O-CG2 3.34Å; C421-V425 PolarHBondContact O-N 2.85Å; A423-V425 PolarHBondContact O-N 3.24Å; V425-W427 VanDerWaalsContact C-N 3.34Å; V425-W427 PolarHBondContact O-N 3.35Å; V425-L428 PolarHBondContact O-N 3.1Å; V425-K429 HydrophobicContact CG1-CD 4.27Å; V425-K429 HydrophobicContact CG1-CG 4.46Å; V425-K429 WeakPolarHBondContact O-CB 3.35Å; V425-K429 WeakPolarHBondContact O-CG 3.32Å; V425-K429 PolarHBondContact O-N 3.42Å; V425-I490 HydrophobicContact CG2-CG2 3.75Å; V425-L514 HydrophobicContact CG2-CD1 4.05Å; V425-L514 HydrophobicContact CG2-CD2 3.64Å; V425-L514 HydrophobicContact CG2-CG 4.46Å |
| 426 | K | 87.8 | Confident | 79.9 | Confident | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.6 | -175.9 | -173.7 | 172.1 | -124.9 | 0 | 111.5 | D384 N422 A423 I424 K429 K430 | D384-K426 IonicContact OD2-NZ 2.67Å; D384-K426 PolarHBondContact OD2-NZ 2.89Å; N422-K426 VanDerWaalsContact O-CB 3.26Å; N422-K426 WeakPolarHBondContact O-CB 3.45Å; N422-K426 PolarHBondContact O-N 3.12Å; A423-K426 PolarHBondContact O-N 3.06Å; I424-K426 PolarHBondContact O-N 2.99Å; K426-K429 PolarHBondContact O-N 3.39Å; K426-K430 WeakPolarHBondContact O-CB 3.33Å; K426-K430 PolarHBondContact O-N 3.46Å |
| 427 | W | 88.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.4 | 170.9 | 71.4 | 0 | 0 | 0 | 111.7 | L387 S388 V391 A423 I424 V425 K429 K430 E431 C464 I465 V468 | L387-W427 HydrophobicContact CB-CD2 3.9Å; L387-W427 HydrophobicContact CB-CG 4.03Å; L387-W427 HydrophobicContact CB-CZ2 4.22Å; L387-W427 HydrophobicContact CD1-CB 3.78Å; L387-W427 HydrophobicContact CD1-CD2 3.84Å; L387-W427 HydrophobicContact CD1-CE3 4.07Å; L387-W427 HydrophobicContact CD1-CG 3.71Å; L387-W427 HydrophobicContact CG-CD2 4.45Å; S388-W427 PolarHBondContact OG-NE1 3.32Å; V391-W427 HydrophobicContact CG2-CH2 3.98Å; V391-W427 HydrophobicContact CG2-CZ2 3.89Å; A423-W427 WeakPolarHBondContact O-CB 3.17Å; A423-W427 PolarHBondContact O-N 2.86Å; I424-W427 PolarHBondContact O-N 3.41Å; V425-W427 VanDerWaalsContact C-N 3.34Å; V425-W427 PolarHBondContact O-N 3.35Å; W427-K429 PolarHBondContact O-N 2.94Å; W427-K430 WeakPolarHBondContact O-CB 3.4Å; W427-K430 PolarHBondContact O-N 3.1Å; W427-K430 VanDerWaalsContact O-N 3.16Å; W427-E431 HydrophobicContact CZ2-CG 4.48Å; W427-E431 PolarHBondContact NE1-OE1 3.06Å; W427-E431 WeakPolarHBondContact O-CG 3.34Å; W427-E431 PolarHBondContact O-N 3.44Å; W427-C464 HydrophobicContact CH2-CB 3.82Å; W427-C464 HydrophobicContact CZ2-CB 4.28Å; W427-I465 HydrophobicContact CZ3-CD1 4.41Å; W427-V468 HydrophobicContact CH2-CG2 3.94Å; W427-V468 HydrophobicContact CZ3-CG2 4.06Å |
| 428 | L | 85.5 | Confident | 76.3 | Confident | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.2 | -74.3 | 171.9 | 0 | 0 | 0 | 112.3 | I424 V425 K430 E431 D432 I465 V510 A513 L514 | I424-L428 HydrophobicContact CG2-CD1 3.99Å; I424-L428 HydrophobicContact CG2-CG 4.39Å; I424-L428 WeakPolarHBondContact O-CB 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.37Å; I424-L428 PolarHBondContact O-N 3.36Å; V425-L428 PolarHBondContact O-N 3.1Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.44Å; L428-E431 PolarHBondContact O-N 2.89Å; L428-D432 PolarHBondContact O-N 2.92Å; L428-I465 HydrophobicContact CD1-CD1 4.28Å; L428-I465 HydrophobicContact CD2-CD1 4.34Å; L428-V510 HydrophobicContact CB-CG1 4.13Å; L428-V510 HydrophobicContact CB-CG2 4.27Å; L428-V510 HydrophobicContact CD1-CG1 4.35Å; L428-A513 HydrophobicContact CD1-CB 3.85Å; L428-A513 HydrophobicContact CD2-CB 3.96Å; L428-L514 HydrophobicContact CD1-CD2 4.06Å; L428-L514 HydrophobicContact CD1-CG 4.34Å |
| 429 | K | 81 | Confident | 75 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.6 | -73.8 | -173.8 | 178 | -164.4 | 0 | 111.5 | V425 K426 W427 E431 D432 D433 V510 | V425-K429 HydrophobicContact CG1-CD 4.27Å; V425-K429 HydrophobicContact CG1-CG 4.46Å; V425-K429 WeakPolarHBondContact O-CB 3.35Å; V425-K429 WeakPolarHBondContact O-CG 3.32Å; V425-K429 PolarHBondContact O-N 3.42Å; K426-K429 PolarHBondContact O-N 3.39Å; W427-K429 PolarHBondContact O-N 2.94Å; K429-E431 PolarHBondContact O-N 3.48Å; K429-D432 PolarHBondContact O-N 3.24Å; K429-D432 VanDerWaalsContact O-N 3.16Å; K429-D433 WeakPolarHBondContact O-CB 3.45Å; K429-D433 PolarHBondContact O-N 2.93Å; K429-V510 HydrophobicContact CG-CG2 4.19Å |
| 430 | K | 77.2 | Confident | 74 | Confident | 126 Ų | 126 | 49.2 Ų | 49.2 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 178.2 | -175.3 | -176.4 | 174.7 | -168.8 | 0 | 112.7 | K426 W427 L428 D432 S434 | K426-K430 WeakPolarHBondContact O-CB 3.33Å; K426-K430 PolarHBondContact O-N 3.46Å; W427-K430 WeakPolarHBondContact O-CB 3.4Å; W427-K430 PolarHBondContact O-N 3.1Å; W427-K430 VanDerWaalsContact O-N 3.16Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.44Å; K430-D432 PolarHBondContact O-N 2.96Å; K430-S434 PolarHBondContact O-OG 3.37Å |
| 431 | E | 68.8 | Low | 73.1 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.5 | -16.3 | 177.2 | -69.7 | -72.2 | 170.4 | 0 | 0 | 112.5 | S388 W427 L428 K429 S434 P460 | S388-E431 PolarHBondContact OG-OE1 3.48Å; W427-E431 HydrophobicContact CZ2-CG 4.48Å; W427-E431 PolarHBondContact NE1-OE1 3.06Å; W427-E431 WeakPolarHBondContact O-CG 3.34Å; W427-E431 PolarHBondContact O-N 3.44Å; L428-E431 PolarHBondContact O-N 2.89Å; K429-E431 PolarHBondContact O-N 3.48Å; E431-S434 PolarHBondContact O-OG 3.14Å; E431-P460 HydrophobicContact CB-CG 4.18Å; E431-P460 VanDerWaalsContact OE2-CB 3.29Å; E431-P460 WeakPolarHBondContact OE2-CB 3.28Å; E431-P460 WeakPolarHBondContact OE2-CG 3.09Å |
| 432 | D | 64.5 | Low | 72.6 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -108.9 | -33.7 | -178.3 | -141.5 | 12 | 0 | 0 | 0 | 114.3 | L428 K429 K430 S434 P506 K509 | L428-D432 PolarHBondContact O-N 2.92Å; K429-D432 PolarHBondContact O-N 3.24Å; K429-D432 VanDerWaalsContact O-N 3.16Å; K430-D432 PolarHBondContact O-N 2.96Å; D432-S434 PolarHBondContact O-N 3.24Å; D432-P506 HydrophobicContact CB-CB 4.04Å; D432-P506 VanDerWaalsContact OD2-C 3.24Å; D432-K509 IonicContact OD1-NZ 2.67Å; D432-K509 PolarHBondContact OD1-NZ 3.42Å; D432-K509 WeakPolarHBondContact OD2-CB 3.43Å |
| 433 | D | 55.8 | Low | 72.3 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -14.7 | 174.4 | -79 | -21 | 0 | 0 | 0 | 112.6 | K429 T435 | K429-D433 WeakPolarHBondContact O-CB 3.45Å; K429-D433 PolarHBondContact O-N 2.93Å; D433-T435 PolarHBondContact O-N 3.16Å |
| 434 | S | 52.2 | Low | 72 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -73.9 | 14.5 | -179.4 | 43.9 | 0 | 0 | 0 | 0 | 115.3 | K430 E431 D432 G436 S437 Y440 | K430-S434 PolarHBondContact O-OG 3.37Å; E431-S434 PolarHBondContact O-OG 3.14Å; D432-S434 PolarHBondContact O-N 3.24Å; S434-G436 PolarHBondContact O-N 3.12Å; S434-S437 PolarHBondContact O-N 3.28Å; S434-S437 VanDerWaalsContact O-N 3.1Å; S434-Y440 WeakPolarHBondContact OG-CE1 3.33Å |
| 435 | T | 48.8 | Very low | 71.7 | Confident | 125 Ų | 125 | 52.4 Ų | 52.4 | 77% | 0.767 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -60.1 | -14.3 | 170.3 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | D433 | D433-T435 PolarHBondContact O-N 3.16Š|
| 436 | G | 47.5 | Very low | 71.5 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -99.4 | -12.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | S434 | S434-G436 PolarHBondContact O-N 3.12Š|
| 437 | S | 52.9 | Low | 71.2 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | trans | -107.3 | 112.7 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | S434 V439 | S434-S437 PolarHBondContact O-N 3.28Å; S434-S437 VanDerWaalsContact O-N 3.1Å; S437-V439 PolarHBondContact O-N 3.34Å | ||
| 438 | A | 55.5 | Low | 70.8 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 67% | 0.669 | 37% | 0.367 | S | S | * | . | trans | -68.7 | 5.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 439 | V | 65.4 | Low | 70.7 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | -144.3 | 118.2 | -159.6 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | P346 S437 I455 | P346-V439 HydrophobicContact CB-CG1 4.36Å; P346-V439 HydrophobicContact CG-CG2 4.46Å; S437-V439 PolarHBondContact O-N 3.34Å; V439-I455 HydrophobicContact CB-CG2 4.46Å; V439-I455 HydrophobicContact CG1-CB 4.3Å; V439-I455 HydrophobicContact CG1-CG1 4.47Å; V439-I455 HydrophobicContact CG1-CG2 3.08Å | ||
| 440 | Y | 70.7 | Confident | 70.8 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.7 | 177.8 | -58.3 | -88.2 | 0 | 0 | 0 | 110.9 | S434 I455 S456 Q458 | S434-Y440 WeakPolarHBondContact OG-CE1 3.33Å; Y440-I455 WeakPolarHBondContact O-CA 3.21Å; Y440-S456 WeakPolarHBondContact CB-O 3.33Å; Y440-S456 WeakPolarHBondContact CD2-O 3.26Å; Y440-S456 PolarHBondContact N-O 3.01Å; Y440-S456 PolarHBondContact O-N 2.62Å; Y440-Q458 VanDerWaalsContact CD2-O 3.25Å; Y440-Q458 WeakPolarHBondContact CD2-O 3.46Å |
| 441 | L | 75.7 | Confident | 71.1 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.8 | 167.8 | -167.1 | 75.6 | 0 | 0 | 0 | 108.5 | C339 I343 F385 F443 A453 | C339-L441 HydrophobicContact CB-CD2 3.92Å; I343-L441 HydrophobicContact CD1-CB 4.32Å; I343-L441 HydrophobicContact CG1-CB 4.46Å; F385-L441 HydrophobicContact CE2-CD2 4.36Å; L441-F443 HydrophobicContact CD2-CE1 4.26Å; L441-F443 HydrophobicContact CD2-CE2 4.36Å; L441-F443 HydrophobicContact CD2-CZ 3.63Å; L441-F443 HydrophobicContact CG-CE2 4.46Å; L441-F443 HydrophobicContact CG-CZ 4.06Å; L441-A453 HydrophobicContact CD1-CB 3.92Å; L441-A453 HydrophobicContact CG-CB 4.21Å |
| 442 | R | 82.2 | Confident | 71.9 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.2 | 177.5 | -70.7 | -70.4 | 172.2 | -144.9 | -25.8 | 111.3 | D392 A453 K454 Q458 P459 P460 | D392-R442 IonicContact OD1-NH1 3.89Å; D392-R442 PolarHBondContact OD1-NH1 2.95Å; D392-R442 WeakPolarHBondContact OD2-CA 3.15Å; D392-R442 WeakPolarHBondContact OD2-CD 3.49Å; D392-R442 IonicContact OD2-NH1 2.96Å; R442-A453 CarbonylContact O-C 3.41Å; R442-A453 VanDerWaalsContact O-CA 3.31Å; R442-A453 WeakPolarHBondContact O-CA 2.78Å; R442-K454 PolarHBondContact N-O 2.94Å; R442-K454 PolarHBondContact O-N 2.85Å; R442-Q458 PolarHBondContact NH2-O 2.78Å; R442-P459 VanDerWaalsContact NH2-C 3.29Å; R442-P460 VanDerWaalsContact NH2-CD 3.33Å |
| 443 | F | 85.2 | Confident | 72.7 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.9 | 178.2 | -58.1 | -86.9 | 0 | 0 | 0 | 111.2 | F385 A389 D392 I393 L441 L451 V452 A453 | F385-F443 HydrophobicContact CD2-CE1 4.13Å; F385-F443 AromaticContact CD2-CZ 3.55Å; F385-F443 HydrophobicContact CD2-CZ 3.55Å; F385-F443 HydrophobicContact CE1-CE1 4.25Å; F385-F443 HydrophobicContact CE1-CZ 4.38Å; F385-F443 AromaticContact CE2-CE1 3.3Å; F385-F443 HydrophobicContact CE2-CE1 3.3Å; F385-F443 HydrophobicContact CE2-CE2 4.44Å; F385-F443 AromaticContact CE2-CZ 3.19Å; F385-F443 HydrophobicContact CE2-CZ 3.19Å; F385-F443 HydrophobicContact CG-CZ 4.31Å; F385-F443 HydrophobicContact CZ-CD1 4.37Å; F385-F443 AromaticContact CZ-CE1 3.35Å; F385-F443 HydrophobicContact CZ-CE1 3.35Å; F385-F443 AromaticContact CZ-CZ 3.65Å; F385-F443 HydrophobicContact CZ-CZ 3.65Å; A389-F443 HydrophobicContact CB-CB 4.35Å; A389-F443 HydrophobicContact CB-CD1 4.18Å; A389-F443 HydrophobicContact CB-CD2 3.79Å; A389-F443 HydrophobicContact CB-CE1 4.48Å; A389-F443 HydrophobicContact CB-CE2 4.1Å; A389-F443 HydrophobicContact CB-CG 3.81Å; A389-F443 HydrophobicContact CB-CZ 4.43Å; D392-F443 HydrophobicContact CB-CB 4.07Å; D392-F443 VanDerWaalsContact CB-O 3.28Å; D392-F443 WeakPolarHBondContact CB-O 3.39Å; D392-F443 PolarHBondContact OD2-N 3.22Å; I393-F443 HydrophobicContact CG2-CB 3.96Å; L441-F443 HydrophobicContact CD2-CE1 4.26Å; L441-F443 HydrophobicContact CD2-CE2 4.36Å; L441-F443 HydrophobicContact CD2-CZ 3.63Å; L441-F443 HydrophobicContact CG-CE2 4.46Å; L441-F443 HydrophobicContact CG-CZ 4.06Å; F443-L451 HydrophobicContact CB-CD1 3.97Å; F443-L451 HydrophobicContact CD1-CD1 4.18Å; F443-L451 HydrophobicContact CD1-CD2 4.35Å; F443-L451 HydrophobicContact CD1-CG 4.29Å; F443-L451 HydrophobicContact CG-CD1 4.48Å; F443-V452 CarbonylContact C-O 3.56Å; F443-V452 WeakPolarHBondContact CA-O 3.06Å; F443-A453 HydrophobicContact CD1-CB 4.06Å; F443-A453 HydrophobicContact CE1-CB 3.86Å |
| 444 | D | 85.3 | Confident | 73.8 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 162.1 | 177.6 | -162.9 | 2.1 | 0 | 0 | 0 | 108.7 | V452 K454 | D444-V452 PolarHBondContact N-O 3.45Å; D444-V452 PolarHBondContact O-N 3.2Å; D444-K454 IonicContact OD2-NZ 3.88Å; D444-K454 PolarHBondContact OD2-NZ 3.4Å |
| 445 | V | 84.9 | Confident | 74.9 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.6 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | I393 G449 K450 | I393-V445 HydrophobicContact CB-CG2 3.78Å; I393-V445 HydrophobicContact CG2-CG2 3.67Å; V445-G449 VanDerWaalsContact CG1-C 3.44Å; V445-K450 CarbonylContact C-O 3.27Å; V445-K450 VanDerWaalsContact CA-O 3.32Å; V445-K450 WeakPolarHBondContact CA-O 3.44Å |
| 446 | T | 86 | Confident | 76.1 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | trans | -66.7 | 164.6 | 174.9 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | A354 D448 G449 K450 V452 | A354-T446 HydrophobicContact CB-CG2 4.35Å; T446-D448 PolarHBondContact O-N 3.12Å; T446-D448 VanDerWaalsContact O-N 3.08Å; T446-G449 WeakPolarHBondContact O-CA 3.33Å; T446-G449 PolarHBondContact O-N 3.46Å; T446-K450 PolarHBondContact N-O 2.89Å; T446-K450 WeakPolarHBondContact OG1-CB 3.43Å; T446-K450 PolarHBondContact OG1-N 3.38Å; T446-V452 HydrophobicContact CG2-CG2 3.53Å | ||
| 447 | D | 81.8 | Confident | 77.1 | Confident | 174 Ų | 174 | 52.6 Ų | 52.6 | 93% | 0.93 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.7 | 176 | -59.8 | -33.8 | 0 | 0 | 0 | 112.8 | G449 | D447-G449 PolarHBondContact O-N 3.48Š|
| 448 | D | 80.8 | Confident | 77.7 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 4.5 | 175.1 | -59.8 | -39.1 | 0 | 0 | 0 | 114.3 | T446 K450 | T446-D448 PolarHBondContact O-N 3.12Å; T446-D448 VanDerWaalsContact O-N 3.08Å; D448-K450 HydrophobicContact CB-CG 4.45Å |
| 449 | G | 81.8 | Confident | 78.1 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 79.9 | 18.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V445 T446 D447 | V445-G449 VanDerWaalsContact CG1-C 3.44Å; T446-G449 WeakPolarHBondContact O-CA 3.33Å; T446-G449 PolarHBondContact O-N 3.46Å; D447-G449 PolarHBondContact O-N 3.48Å |
| 450 | K | 84.6 | Confident | 78.1 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | trans | -96.9 | 140.4 | -177.3 | -58.9 | 174.6 | 178.3 | -179.8 | 0 | 112 | A354 D355 T358 V445 T446 D448 | A354-K450 HydrophobicContact CB-CB 3.72Å; A354-K450 HydrophobicContact CB-CD 4.21Å; D355-K450 WeakPolarHBondContact OD1-CD 3.26Å; D355-K450 WeakPolarHBondContact OD1-CE 3.41Å; D355-K450 IonicContact OD1-NZ 2.69Å; D355-K450 PolarHBondContact OD1-NZ 3.22Å; D355-K450 IonicContact OD2-NZ 3.46Å; T358-K450 WeakPolarHBondContact OG1-CA 3.49Å; T358-K450 WeakPolarHBondContact OG1-CB 3.35Å; V445-K450 CarbonylContact C-O 3.27Å; V445-K450 VanDerWaalsContact CA-O 3.32Å; V445-K450 WeakPolarHBondContact CA-O 3.44Å; T446-K450 PolarHBondContact N-O 2.89Å; T446-K450 WeakPolarHBondContact OG1-CB 3.43Å; T446-K450 PolarHBondContact OG1-N 3.38Å; D448-K450 HydrophobicContact CB-CG 4.45Å | ||
| 451 | L | 83.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.5 | 179.5 | -172.9 | 66.6 | 0 | 0 | 0 | 111.3 | A354 L357 T358 V361 I393 F443 | A354-L451 CarbonylContact C-O 3.6Å; A354-L451 VanDerWaalsContact CA-O 3.23Å; A354-L451 WeakPolarHBondContact CA-O 3.46Å; A354-L451 VanDerWaalsContact O-O 3.14Å; L357-L451 HydrophobicContact CB-CB 4.14Å; L357-L451 HydrophobicContact CB-CD2 4.26Å; L357-L451 HydrophobicContact CB-CG 4.3Å; L357-L451 VanDerWaalsContact CB-O 3.28Å; L357-L451 WeakPolarHBondContact CB-O 3.23Å; L357-L451 WeakPolarHBondContact CD1-O 3.24Å; L357-L451 HydrophobicContact CD2-CD2 4.46Å; T358-L451 PolarHBondContact OG1-N 3.1Å; V361-L451 HydrophobicContact CG2-CD2 3.91Å; I393-L451 HydrophobicContact CD1-CD1 3.93Å; I393-L451 HydrophobicContact CG2-CD1 3.89Å; F443-L451 HydrophobicContact CB-CD1 3.97Å; F443-L451 HydrophobicContact CD1-CD1 4.18Å; F443-L451 HydrophobicContact CD1-CD2 4.35Å; F443-L451 HydrophobicContact CD1-CG 4.29Å; F443-L451 HydrophobicContact CG-CD1 4.48Å |
| 452 | V | 84.1 | Confident | 77.2 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.6 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | A354 F443 D444 T446 K454 | A354-V452 HydrophobicContact CB-CG2 3.37Å; F443-V452 CarbonylContact C-O 3.56Å; F443-V452 WeakPolarHBondContact CA-O 3.06Å; D444-V452 PolarHBondContact N-O 3.45Å; D444-V452 PolarHBondContact O-N 3.2Å; T446-V452 HydrophobicContact CG2-CG2 3.53Å; V452-K454 HydrophobicContact CG1-CG 4.03Å |
| 453 | A | 81.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V352 L357 L441 R442 F443 | V352-A453 HydrophobicContact CB-CB 4.24Å; V352-A453 HydrophobicContact CG2-CB 4.26Å; V352-A453 PolarHBondContact N-O 3.24Å; L357-A453 HydrophobicContact CD1-CB 3.75Å; L357-A453 VanDerWaalsContact CD1-N 3.27Å; L441-A453 HydrophobicContact CD1-CB 3.92Å; L441-A453 HydrophobicContact CG-CB 4.21Å; R442-A453 CarbonylContact O-C 3.41Å; R442-A453 VanDerWaalsContact O-CA 3.31Å; R442-A453 WeakPolarHBondContact O-CA 2.78Å; F443-A453 HydrophobicContact CD1-CB 4.06Å; F443-A453 HydrophobicContact CE1-CB 3.86Å |
| 454 | K | 79.7 | Confident | 76.4 | Confident | 94 Ų | 94 | 69 Ų | 69 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149 | 177.9 | -64.7 | 175.4 | -175.1 | 164 | 0 | 109.1 | R442 D444 V452 | R442-K454 PolarHBondContact N-O 2.94Å; R442-K454 PolarHBondContact O-N 2.85Å; D444-K454 IonicContact OD2-NZ 3.88Å; D444-K454 PolarHBondContact OD2-NZ 3.4Å; V452-K454 HydrophobicContact CG1-CG 4.03Å |
| 455 | I | 75.4 | Confident | 76.5 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.5 | 171 | -70.4 | 175.2 | 0 | 0 | 0 | 108.5 | A342 P346 V439 Y440 | A342-I455 HydrophobicContact CB-CD1 4.14Å; A342-I455 WeakPolarHBondContact O-CD1 3.37Å; P346-I455 HydrophobicContact CB-CD1 4.01Å; P346-I455 HydrophobicContact CB-CG2 4.41Å; V439-I455 HydrophobicContact CB-CG2 4.46Å; V439-I455 HydrophobicContact CG1-CB 4.3Å; V439-I455 HydrophobicContact CG1-CG1 4.47Å; V439-I455 HydrophobicContact CG1-CG2 3.08Å; Y440-I455 WeakPolarHBondContact O-CA 3.21Å |
| 456 | S | 73.7 | Confident | 76.6 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.7 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | Y440 Q458 | Y440-S456 WeakPolarHBondContact CB-O 3.33Å; Y440-S456 WeakPolarHBondContact CD2-O 3.26Å; Y440-S456 PolarHBondContact N-O 3.01Å; Y440-S456 PolarHBondContact O-N 2.62Å; S456-Q458 VanDerWaalsContact C-N 3.32Å; S456-Q458 PolarHBondContact OG-N 2.88Å; S456-Q458 VanDerWaalsContact OG-N 3.09Å |
| 457 | S | 68.6 | Low | 76.6 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | trans | -87 | -4.3 | 169.2 | 55 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 458 | Q | 66.1 | Low | 77.1 | Confident | 136 Ų | 136 | 59.9 Ų | 59.9 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -78.2 | 129.9 | -179.4 | -69.9 | -175.8 | -26.3 | 0 | 0 | 111.4 | Y440 R442 S456 | Y440-Q458 VanDerWaalsContact CD2-O 3.25Å; Y440-Q458 WeakPolarHBondContact CD2-O 3.46Å; R442-Q458 PolarHBondContact NH2-O 2.78Å; S456-Q458 VanDerWaalsContact C-N 3.32Å; S456-Q458 PolarHBondContact OG-N 2.88Å; S456-Q458 VanDerWaalsContact OG-N 3.09Å |
| 459 | P | 62.4 | Low | 77.6 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 159.5 | 176.2 | 28.5 | -34.4 | 0 | 0 | 0 | 110.7 | R442 | R442-P459 VanDerWaalsContact NH2-C 3.29Š|
| 460 | P | 65.5 | Low | 78 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 150.9 | 177.1 | 25.5 | -36.4 | 0 | 0 | 0 | 111.9 | E431 R442 Q462 | E431-P460 HydrophobicContact CB-CG 4.18Å; E431-P460 VanDerWaalsContact OE2-CB 3.29Å; E431-P460 WeakPolarHBondContact OE2-CB 3.28Å; E431-P460 WeakPolarHBondContact OE2-CG 3.09Å; R442-P460 VanDerWaalsContact NH2-CD 3.33Å; P460-Q462 PolarHBondContact O-N 3.34Å |
| 461 | D | 66.6 | Low | 78.3 | Confident | 68 Ų | 68 | 54 Ų | 54 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 135.8 | 173.9 | -169.2 | -9.6 | 0 | 0 | 0 | 110 | R394 D463 C464 | R394-D461 IonicContact CZ-OD2 3.13Å; R394-D461 IonicContact NH1-OD2 2.82Å; R394-D461 PolarHBondContact NH1-OD2 2.86Å; R394-D461 IonicContact NH2-OD2 3.07Å; R394-D461 PolarHBondContact NH2-OD2 3.19Å; D461-D463 PolarHBondContact O-N 2.93Å; D461-D463 VanDerWaalsContact O-N 3.16Å; D461-D463 PolarHBondContact OD1-N 3.41Å; D461-C464 PolarHBondContact O-N 2.93Å; D461-C464 PolarHBondContact O-SG 3.1Å |
| 462 | Q | 62 | Low | 78.8 | Confident | 188 Ų | 188 | 54.1 Ų | 54.1 | 88% | 0.879 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.7 | -178.1 | -70.6 | -172.3 | -22.1 | 0 | 0 | 111.5 | P460 | P460-Q462 PolarHBondContact O-N 3.34Š|
| 463 | D | 68.4 | Low | 79.2 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 21.1 | -178.5 | -65.1 | -27.7 | 0 | 0 | 0 | 114.2 | D461 I465 M466 | D461-D463 PolarHBondContact O-N 2.93Å; D461-D463 VanDerWaalsContact O-N 3.16Å; D461-D463 PolarHBondContact OD1-N 3.41Å; D463-I465 VanDerWaalsContact C-N 3.28Å; D463-I465 PolarHBondContact O-N 3.06Å; D463-M466 PolarHBondContact O-N 3.18Å |
| 464 | C | 81.4 | Confident | 79.7 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -48.6 | -47.3 | 179.9 | -79.4 | 0 | 0 | 0 | 0 | 113 | V391 W427 D461 M466 S467 V468 | V391-C464 HydrophobicContact CG1-CB 4.24Å; V391-C464 WeakPolarHBondContact CG1-SG 3.25Å; V391-C464 HydrophobicContact CG2-CB 4.22Å; W427-C464 HydrophobicContact CH2-CB 3.82Å; W427-C464 HydrophobicContact CZ2-CB 4.28Å; D461-C464 PolarHBondContact O-N 2.93Å; D461-C464 PolarHBondContact O-SG 3.1Å; C464-M466 PolarHBondContact O-N 3.33Å; C464-S467 PolarHBondContact O-N 2.92Å; C464-V468 PolarHBondContact O-N 2.84Å |
| 465 | I | 87.4 | Confident | 80.4 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -33.4 | -175.1 | -166.5 | 62.6 | 0 | 0 | 0 | 112.8 | I424 W427 L428 D463 S467 V468 N469 A513 T517 | I424-I465 HydrophobicContact CG2-CD1 4.25Å; W427-I465 HydrophobicContact CZ3-CD1 4.41Å; L428-I465 HydrophobicContact CD1-CD1 4.28Å; L428-I465 HydrophobicContact CD2-CD1 4.34Å; D463-I465 VanDerWaalsContact C-N 3.28Å; D463-I465 PolarHBondContact O-N 3.06Å; I465-S467 PolarHBondContact O-N 3.33Å; I465-V468 HydrophobicContact CD1-CB 4.36Å; I465-V468 CarbonylContact O-C 3.48Å; I465-V468 PolarHBondContact O-N 2.9Å; I465-V468 VanDerWaalsContact O-N 3.08Å; I465-N469 VanDerWaalsContact O-CG 3.23Å; I465-N469 PolarHBondContact O-N 3.43Å; I465-N469 PolarHBondContact O-OD1 3.29Å; I465-A513 HydrophobicContact CB-CB 4.08Å; I465-A513 HydrophobicContact CG1-CB 4.01Å; I465-A513 HydrophobicContact CG2-CB 3.99Å; I465-T517 WeakPolarHBondContact CG1-OG1 3.4Å |
| 466 | M | 86.1 | Confident | 81.3 | Confident | 95 Ų | 95 | 57 Ų | 57 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 179.6 | -69.7 | -56.6 | -63.4 | 0 | 0 | 111.4 | D463 C464 N469 V470 S516 | D463-M466 PolarHBondContact O-N 3.18Å; C464-M466 PolarHBondContact O-N 3.33Å; M466-N469 PolarHBondContact O-N 3.38Å; M466-V470 WeakPolarHBondContact O-CG2 3.41Å; M466-V470 PolarHBondContact O-N 3.15Å; M466-V470 VanDerWaalsContact O-N 3.09Å; M466-S516 PolarHBondContact SD-OG 2.9Å; M466-S516 VanDerWaalsContact SD-OG 3.34Å |
| 467 | S | 87.3 | Confident | 82.1 | Confident | 18 Ų | 18 | 58 Ų | 58 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Y390 R394 C464 I465 N469 V470 L471 | Y390-S467 PolarHBondContact OH-O 2.98Å; R394-S467 WeakPolarHBondContact CD-OG 3.45Å; R394-S467 PolarHBondContact NE-OG 2.76Å; C464-S467 PolarHBondContact O-N 2.92Å; I465-S467 PolarHBondContact O-N 3.33Å; S467-N469 VanDerWaalsContact C-N 3.33Å; S467-V470 PolarHBondContact O-N 3.45Å; S467-L471 PolarHBondContact O-N 2.97Å |
| 468 | V | 91.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L387 V391 F412 W427 C464 I465 V470 L471 L472 | L387-V468 HydrophobicContact CD2-CG1 4.2Å; L387-V468 HydrophobicContact CD2-CG2 4.01Å; V391-V468 HydrophobicContact CG2-CG2 4.4Å; F412-V468 HydrophobicContact CE2-CG1 4.36Å; F412-V468 HydrophobicContact CZ-CG1 4.14Å; W427-V468 HydrophobicContact CH2-CG2 3.94Å; W427-V468 HydrophobicContact CZ3-CG2 4.06Å; C464-V468 PolarHBondContact O-N 2.84Å; I465-V468 HydrophobicContact CD1-CB 4.36Å; I465-V468 CarbonylContact O-C 3.48Å; I465-V468 PolarHBondContact O-N 2.9Å; I465-V468 VanDerWaalsContact O-N 3.08Å; V468-V470 VanDerWaalsContact C-N 3.34Å; V468-V470 PolarHBondContact O-N 2.95Å; V468-L471 CarbonylContact O-C 3.59Å; V468-L471 WeakPolarHBondContact O-CA 3.33Å; V468-L471 WeakPolarHBondContact O-CB 3.34Å; V468-L471 PolarHBondContact O-N 3.45Å; V468-L472 HydrophobicContact CG1-CD1 4.09Å; V468-L472 HydrophobicContact CG1-CG 4.32Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 3.38Å |
| 469 | N | 92.1 | Very high | 84.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.4 | -69.5 | -12.1 | 0 | 0 | 0 | 111.9 | I465 M466 S467 L471 L472 C473 S516 T517 A520 | I465-N469 VanDerWaalsContact O-CG 3.23Å; I465-N469 PolarHBondContact O-N 3.43Å; I465-N469 PolarHBondContact O-OD1 3.29Å; M466-N469 PolarHBondContact O-N 3.38Å; S467-N469 VanDerWaalsContact C-N 3.33Å; N469-L471 PolarHBondContact O-N 3.17Å; N469-L472 PolarHBondContact O-N 2.99Å; N469-C473 WeakPolarHBondContact O-CB 3.37Å; N469-C473 PolarHBondContact O-N 2.89Å; N469-C473 PolarHBondContact O-SG 2.96Å; N469-S516 PolarHBondContact ND2-OG 3.29Å; N469-T517 WeakPolarHBondContact OD1-CG2 3.44Å; N469-T517 PolarHBondContact OD1-OG1 3.45Å; N469-A520 HydrophobicContact CB-CB 4.1Å |
| 470 | V | 90.2 | Very high | 86 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.3 | -38.2 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | M466 S467 V468 | M466-V470 WeakPolarHBondContact O-CG2 3.41Å; M466-V470 PolarHBondContact O-N 3.15Å; M466-V470 VanDerWaalsContact O-N 3.09Å; S467-V470 PolarHBondContact O-N 3.45Å; V468-V470 VanDerWaalsContact C-N 3.34Å; V468-V470 PolarHBondContact O-N 2.95Å |
| 471 | L | 91.3 | Very high | 87.3 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.1 | -41.2 | 176.9 | -167.8 | 61.1 | 0 | 0 | 0 | 112.3 | Y390 L408 W409 F412 S467 V468 N469 C473 K474 | Y390-L471 HydrophobicContact CE1-CB 4.38Å; Y390-L471 HydrophobicContact CE1-CD2 4.24Å; Y390-L471 HydrophobicContact CE2-CD2 4.36Å; L408-L471 HydrophobicContact CB-CD2 3.51Å; L408-L471 HydrophobicContact CD1-CD2 4.1Å; L408-L471 HydrophobicContact CG-CD2 4.49Å; W409-L471 HydrophobicContact CB-CD1 4.07Å; W409-L471 HydrophobicContact CB-CG 4.5Å; F412-L471 HydrophobicContact CD2-CD2 4.38Å; F412-L471 HydrophobicContact CD2-CG 4.23Å; F412-L471 HydrophobicContact CE2-CB 4.27Å; F412-L471 HydrophobicContact CE2-CD2 3.81Å; F412-L471 HydrophobicContact CE2-CG 4Å; S467-L471 PolarHBondContact O-N 2.97Å; V468-L471 CarbonylContact O-C 3.59Å; V468-L471 WeakPolarHBondContact O-CA 3.33Å; V468-L471 WeakPolarHBondContact O-CB 3.34Å; V468-L471 PolarHBondContact O-N 3.45Å; N469-L471 PolarHBondContact O-N 3.17Å; L471-C473 VanDerWaalsContact C-N 3.28Å; L471-C473 PolarHBondContact O-N 3.49Å; L471-K474 HydrophobicContact CD1-CD 4.31Å; L471-K474 WeakPolarHBondContact O-CB 3.23Å; L471-K474 PolarHBondContact O-N 2.99Å; L471-K474 VanDerWaalsContact O-N 3.12Å |
| 472 | L | 93.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 174 | -71.3 | 167.8 | 0 | 0 | 0 | 111.4 | F412 I424 V468 N469 K474 V475 L483 T517 L521 | F412-L472 HydrophobicContact CB-CD2 4.14Å; F412-L472 HydrophobicContact CD1-CD2 4.13Å; F412-L472 HydrophobicContact CD2-CD2 3.52Å; F412-L472 HydrophobicContact CD2-CG 4.1Å; F412-L472 HydrophobicContact CE1-CD2 4.43Å; F412-L472 HydrophobicContact CE2-CD2 3.83Å; F412-L472 HydrophobicContact CE2-CG 4.07Å; F412-L472 HydrophobicContact CG-CD2 3.68Å; F412-L472 HydrophobicContact CZ-CD2 4.29Å; I424-L472 HydrophobicContact CD1-CD1 4.18Å; I424-L472 HydrophobicContact CD1-CD2 4.39Å; V468-L472 HydrophobicContact CG1-CD1 4.09Å; V468-L472 HydrophobicContact CG1-CG 4.32Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 3.38Å; N469-L472 PolarHBondContact O-N 2.99Å; L472-K474 PolarHBondContact O-N 3.3Å; L472-K474 VanDerWaalsContact O-N 3.08Å; L472-V475 WeakPolarHBondContact O-CG1 3.47Å; L472-V475 WeakPolarHBondContact O-CG2 3.45Å; L472-V475 PolarHBondContact O-N 3.3Å; L472-L483 HydrophobicContact CD2-CD1 3.92Å; L472-T517 HydrophobicContact CD1-CG2 3.75Å; L472-L521 HydrophobicContact CB-CD2 4.41Å |
| 473 | C | 92.1 | Very high | 90.2 | Very high | 32 Ų | 32 | 35 Ų | 35 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -4.2 | 177.7 | -71.8 | 0 | 0 | 0 | 0 | 114.7 | N469 L471 K524 | N469-C473 WeakPolarHBondContact O-CB 3.37Å; N469-C473 PolarHBondContact O-N 2.89Å; N469-C473 PolarHBondContact O-SG 2.96Å; L471-C473 VanDerWaalsContact C-N 3.28Å; L471-C473 PolarHBondContact O-N 3.49Å; C473-K524 HydrophobicContact CB-CB 4.5Å; C473-K524 HydrophobicContact CB-CG 4.1Å; C473-K524 WeakPolarHBondContact O-CE 3.39Å |
| 474 | K | 93 | Very high | 91.5 | Very high | 134 Ų | 134 | 30.3 Ų | 30.3 | 58% | 0.583 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.9 | 173.9 | -65.8 | -179.6 | -179 | 179.7 | 0 | 113.8 | W409 L471 L472 | W409-K474 PolarHBondContact NE1-O 3.15Å; W409-K474 VanDerWaalsContact NE1-O 3.1Å; L471-K474 HydrophobicContact CD1-CD 4.31Å; L471-K474 WeakPolarHBondContact O-CB 3.23Å; L471-K474 PolarHBondContact O-N 2.99Å; L471-K474 VanDerWaalsContact O-N 3.12Å; L472-K474 PolarHBondContact O-N 3.3Å; L472-K474 VanDerWaalsContact O-N 3.08Å |
| 475 | V | 93.9 | Very high | 92 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -70.8 | 164.9 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | F412 E413 L472 A479 L483 F525 | F412-V475 HydrophobicContact CB-CG1 3.72Å; E413-V475 WeakPolarHBondContact OE2-CA 3.48Å; E413-V475 VanDerWaalsContact OE2-CB 3.23Å; E413-V475 WeakPolarHBondContact OE2-CB 2.97Å; L472-V475 WeakPolarHBondContact O-CG1 3.47Å; L472-V475 WeakPolarHBondContact O-CG2 3.45Å; L472-V475 PolarHBondContact O-N 3.3Å; V475-A479 HydrophobicContact CB-CB 4.01Å; V475-A479 HydrophobicContact CG2-CB 3.96Å; V475-L483 HydrophobicContact CG2-CD1 4.28Å; V475-F525 HydrophobicContact CG2-CE2 4.21Å; V475-F525 HydrophobicContact CG2-CZ 3.83Å |
| 476 | S | 93.6 | Very high | 92.3 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 34% | 0.343 | 18% | 0.181 | S | C | . | . | trans | -62.1 | 154.6 | 174.5 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | E413 A478 A479 G480 | E413-S476 WeakPolarHBondContact OE1-CB 3.15Å; E413-S476 PolarHBondContact OE1-OG 3.31Å; E413-S476 PolarHBondContact OE2-N 2.96Å; S476-A478 PolarHBondContact O-N 3.3Å; S476-A478 VanDerWaalsContact O-N 3.15Å; S476-A479 PolarHBondContact O-N 2.96Å; S476-A479 VanDerWaalsContact O-N 3.08Å; S476-A479 WeakPolarHBondContact OG-CB 3.18Å; S476-A479 PolarHBondContact OG-N 3.49Å; S476-G480 PolarHBondContact O-N 3.35Å | ||
| 477 | A | 91.8 | Very high | 92.6 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 40% | 0.397 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.3 | -33.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A481 F525 K528 | A477-A481 WeakPolarHBondContact O-CB 3.22Å; A477-A481 PolarHBondContact O-N 3.09Å; A477-F525 HydrophobicContact CB-CD1 4.26Å; A477-K528 HydrophobicContact CB-CB 4.11Å; A477-K528 HydrophobicContact CB-CG 4.15Å |
| 478 | A | 92.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 25 Ų | 25 | 40% | 0.397 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.9 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S476 N482 | S476-A478 PolarHBondContact O-N 3.3Å; S476-A478 VanDerWaalsContact O-N 3.15Å; A478-N482 WeakPolarHBondContact O-CB 3.39Å; A478-N482 VanDerWaalsContact O-CG 3.28Å; A478-N482 PolarHBondContact O-N 3.31Å; A478-N482 PolarHBondContact O-ND2 2.91Å |
| 479 | A | 92.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V475 S476 N482 L483 | V475-A479 HydrophobicContact CB-CB 4.01Å; V475-A479 HydrophobicContact CG2-CB 3.96Å; S476-A479 PolarHBondContact O-N 2.96Å; S476-A479 VanDerWaalsContact O-N 3.08Å; S476-A479 WeakPolarHBondContact OG-CB 3.18Å; S476-A479 PolarHBondContact OG-N 3.49Å; A479-N482 WeakPolarHBondContact O-CB 3.29Å; A479-N482 PolarHBondContact O-N 2.75Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.28Å; A479-L483 PolarHBondContact O-N 2.93Å |
| 480 | G | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S476 N482 L483 F484 | S476-G480 PolarHBondContact O-N 3.35Å; G480-N482 PolarHBondContact O-N 2.91Å; G480-L483 PolarHBondContact O-N 2.98Å; G480-F484 PolarHBondContact O-N 3.39Å |
| 481 | A | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A477 L483 F484 F485 K528 I529 | A477-A481 WeakPolarHBondContact O-CB 3.22Å; A477-A481 PolarHBondContact O-N 3.09Å; A481-L483 VanDerWaalsContact C-N 3.34Å; A481-L483 PolarHBondContact O-N 3.01Å; A481-F484 WeakPolarHBondContact O-CB 3.39Å; A481-F484 PolarHBondContact O-N 3.44Å; A481-F485 HydrophobicContact CB-CE2 4.32Å; A481-F485 WeakPolarHBondContact O-CD2 3.23Å; A481-F485 PolarHBondContact O-N 3.23Å; A481-K528 HydrophobicContact CB-CG 3.98Å; A481-I529 HydrophobicContact CB-CG1 3.96Å |
| 482 | N | 94 | Very high | 91.9 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.8 | -76.9 | -38.4 | 0 | 0 | 0 | 112.7 | A417 A478 A479 G480 A486 R535 | A417-N482 VanDerWaalsContact CB-C 3.5Å; A417-N482 HydrophobicContact CB-CB 3.92Å; A417-N482 VanDerWaalsContact CB-O 3.3Å; A417-N482 WeakPolarHBondContact CB-O 3.47Å; A478-N482 WeakPolarHBondContact O-CB 3.39Å; A478-N482 VanDerWaalsContact O-CG 3.28Å; A478-N482 PolarHBondContact O-N 3.31Å; A478-N482 PolarHBondContact O-ND2 2.91Å; A479-N482 WeakPolarHBondContact O-CB 3.29Å; A479-N482 PolarHBondContact O-N 2.75Å; G480-N482 PolarHBondContact O-N 2.91Å; N482-A486 WeakPolarHBondContact O-CB 3.34Å; N482-A486 PolarHBondContact O-N 2.72Å; N482-R535 PolarHBondContact OD1-NH1 3.05Å; N482-R535 PolarHBondContact OD1-NH2 2.97Å |
| 483 | L | 95.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.1 | -71.3 | 162.9 | 0 | 0 | 0 | 111 | A417 V420 L472 V475 A479 G480 A481 A486 L487 L521 | A417-L483 HydrophobicContact CB-CD2 4.03Å; A417-L483 HydrophobicContact CB-CG 4.31Å; V420-L483 HydrophobicContact CB-CD2 3.72Å; V420-L483 HydrophobicContact CG1-CD2 3.61Å; V420-L483 HydrophobicContact CG2-CD2 4.33Å; L472-L483 HydrophobicContact CD2-CD1 3.92Å; V475-L483 HydrophobicContact CG2-CD1 4.28Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.28Å; A479-L483 PolarHBondContact O-N 2.93Å; G480-L483 PolarHBondContact O-N 2.98Å; A481-L483 VanDerWaalsContact C-N 3.34Å; A481-L483 PolarHBondContact O-N 3.01Å; L483-A486 PolarHBondContact O-N 3.39Å; L483-L487 WeakPolarHBondContact O-CB 3.47Å; L483-L487 PolarHBondContact O-N 3.43Å; L483-L521 HydrophobicContact CB-CD1 4.05Å |
| 484 | F | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -51.9 | 175.6 | 174 | -92.2 | 0 | 0 | 0 | 111.9 | G480 A481 A486 L487 L488 V518 L521 L522 I529 L536 I565 | G480-F484 PolarHBondContact O-N 3.39Å; A481-F484 WeakPolarHBondContact O-CB 3.39Å; A481-F484 PolarHBondContact O-N 3.44Å; F484-A486 VanDerWaalsContact C-N 3.26Å; F484-A486 PolarHBondContact O-N 3.5Å; F484-L487 PolarHBondContact O-N 3.4Å; F484-L488 HydrophobicContact CE1-CD2 4.29Å; F484-L488 HydrophobicContact CZ-CD2 4.19Å; F484-L488 PolarHBondContact O-N 2.79Å; F484-V518 HydrophobicContact CD2-CG1 4.14Å; F484-V518 HydrophobicContact CE2-CG1 3.71Å; F484-L521 HydrophobicContact CB-CB 4.34Å; F484-L521 HydrophobicContact CB-CD1 4.32Å; F484-L521 HydrophobicContact CD2-CB 4.4Å; F484-L522 HydrophobicContact CE2-CB 4.25Å; F484-L522 HydrophobicContact CE2-CD1 3.92Å; F484-L522 HydrophobicContact CZ-CD1 4.09Å; F484-I529 HydrophobicContact CB-CD1 3.81Å; F484-I529 HydrophobicContact CB-CG1 4.32Å; F484-I529 HydrophobicContact CD1-CD1 3.98Å; F484-I529 HydrophobicContact CD1-CG1 4.18Å; F484-I529 HydrophobicContact CD1-CG2 3.75Å; F484-I529 HydrophobicContact CD2-CD1 3.95Å; F484-I529 HydrophobicContact CE1-CG2 3.67Å; F484-I529 HydrophobicContact CG-CD1 3.64Å; F484-I529 HydrophobicContact CG-CG1 4.25Å; F484-I529 HydrophobicContact CG-CG2 4.5Å; F484-I529 HydrophobicContact CZ-CG2 4.33Å; F484-L536 HydrophobicContact CE1-CD1 3.96Å; F484-I565 HydrophobicContact CZ-CD1 4.18Å |
| 485 | F | 92.7 | Very high | 90.1 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -29 | -178.9 | -69.9 | -56.9 | 0 | 0 | 0 | 113.4 | A481 P489 I529 E532 R535 L536 V539 | A481-F485 HydrophobicContact CB-CE2 4.32Å; A481-F485 WeakPolarHBondContact O-CD2 3.23Å; A481-F485 PolarHBondContact O-N 3.23Å; F485-P489 WeakPolarHBondContact O-CD 3.41Å; F485-I529 HydrophobicContact CE1-CG2 4.35Å; F485-I529 HydrophobicContact CZ-CG2 4.06Å; F485-E532 HydrophobicContact CE2-CB 4.11Å; F485-E532 WeakPolarHBondContact CE2-OE2 3.49Å; F485-E532 HydrophobicContact CZ-CB 4.08Å; F485-R535 HydrophobicContact CD1-CG 4.29Å; F485-R535 HydrophobicContact CD2-CG 4.28Å; F485-R535 HydrophobicContact CE1-CG 4.34Å; F485-R535 HydrophobicContact CE2-CG 4.3Å; F485-R535 HydrophobicContact CG-CG 4.28Å; F485-R535 HydrophobicContact CZ-CB 4.35Å; F485-R535 HydrophobicContact CZ-CG 4.33Å; F485-L536 HydrophobicContact CE1-CB 3.8Å; F485-L536 HydrophobicContact CE1-CD1 3.81Å; F485-L536 HydrophobicContact CE1-CG 4.44Å; F485-L536 HydrophobicContact CZ-CB 4.21Å; F485-V539 HydrophobicContact CD1-CG2 4.34Å |
| 486 | A | 93.4 | Very high | 89.2 | Confident | 20 Ų | 20 | 20.7 Ų | 20.7 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -79.1 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A417 N482 L483 F484 I490 | A417-A486 HydrophobicContact CB-CB 3.83Å; N482-A486 WeakPolarHBondContact O-CB 3.34Å; N482-A486 PolarHBondContact O-N 2.72Å; L483-A486 PolarHBondContact O-N 3.39Å; F484-A486 VanDerWaalsContact C-N 3.26Å; F484-A486 PolarHBondContact O-N 3.5Å; A486-I490 VanDerWaalsContact O-CD1 3.27Å; A486-I490 WeakPolarHBondContact O-CD1 3.32Å; A486-I490 WeakPolarHBondContact O-CG1 3.17Å |
| 487 | L | 93.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.5 | -36.8 | -175.6 | -169.1 | 64 | 0 | 0 | 0 | 112.6 | C421 L483 F484 I490 L491 L514 T517 V518 L521 | C421-L487 HydrophobicContact CB-CD1 3.98Å; L483-L487 WeakPolarHBondContact O-CB 3.47Å; L483-L487 PolarHBondContact O-N 3.43Å; F484-L487 PolarHBondContact O-N 3.4Å; L487-I490 CarbonylContact O-C 3.6Å; L487-I490 WeakPolarHBondContact O-CA 3.4Å; L487-I490 WeakPolarHBondContact O-CB 3.15Å; L487-I490 PolarHBondContact O-N 3.38Å; L487-L491 PolarHBondContact O-N 2.88Å; L487-L514 HydrophobicContact CD1-CD2 3.75Å; L487-T517 HydrophobicContact CD2-CG2 3.45Å; L487-T517 VanDerWaalsContact CD2-CG2 3.45Å; L487-V518 HydrophobicContact CB-CG2 4.4Å; L487-V518 HydrophobicContact CD2-CG2 3.64Å; L487-V518 HydrophobicContact CG-CG2 3.87Å; L487-L521 HydrophobicContact CD2-CD1 4.26Å |
| 488 | L | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | -175.3 | 179.2 | 65.9 | 0 | 0 | 0 | 112.9 | F484 I490 L491 C492 V539 L543 I565 | F484-L488 HydrophobicContact CE1-CD2 4.29Å; F484-L488 HydrophobicContact CZ-CD2 4.19Å; F484-L488 PolarHBondContact O-N 2.79Å; L488-I490 VanDerWaalsContact C-N 3.3Å; L488-I490 PolarHBondContact O-N 2.96Å; L488-L491 PolarHBondContact O-N 3.37Å; L488-C492 PolarHBondContact O-N 3.28Å; L488-C492 VanDerWaalsContact O-N 3.11Å; L488-C492 PolarHBondContact O-SG 2.92Å; L488-V539 HydrophobicContact CD2-CG1 4.2Å; L488-L543 HydrophobicContact CD2-CD1 4.2Å; L488-L543 HydrophobicContact CG-CD1 4Å; L488-I565 HydrophobicContact CD1-CD1 3.8Å; L488-I565 HydrophobicContact CD2-CD1 3.9Å |
| 489 | P | 88.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 24.7 Ų | 24.7 | 26% | 0.26 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.7 | -35.4 | 173.7 | -23.3 | 34.6 | 0 | 0 | 0 | 113.7 | F485 C492 M493 V539 L543 | F485-P489 WeakPolarHBondContact O-CD 3.41Å; P489-C492 PolarHBondContact O-N 2.95Å; P489-M493 WeakPolarHBondContact O-CB 3.35Å; P489-M493 VanDerWaalsContact O-CG 3.3Å; P489-M493 WeakPolarHBondContact O-CG 3.28Å; P489-M493 PolarHBondContact O-N 3.18Å; P489-V539 HydrophobicContact CG-CG1 4.05Å; P489-L543 HydrophobicContact CB-CD2 4.2Å |
| 490 | I | 87.8 | Confident | 85.1 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.7 | -63.2 | 169.2 | 0 | 0 | 0 | 110.5 | C421 V425 A486 L487 L488 M493 T494 | C421-I490 HydrophobicContact CB-CD1 3.58Å; V425-I490 HydrophobicContact CG2-CG2 3.75Å; A486-I490 VanDerWaalsContact O-CD1 3.27Å; A486-I490 WeakPolarHBondContact O-CD1 3.32Å; A486-I490 WeakPolarHBondContact O-CG1 3.17Å; L487-I490 CarbonylContact O-C 3.6Å; L487-I490 WeakPolarHBondContact O-CA 3.4Å; L487-I490 WeakPolarHBondContact O-CB 3.15Å; L487-I490 PolarHBondContact O-N 3.38Å; L488-I490 VanDerWaalsContact C-N 3.3Å; L488-I490 PolarHBondContact O-N 2.96Å; I490-M493 PolarHBondContact O-N 2.75Å; I490-T494 WeakPolarHBondContact O-CB 3.21Å; I490-T494 PolarHBondContact O-N 3.03Å; I490-T494 PolarHBondContact O-OG1 2.95Å |
| 491 | L | 87.7 | Confident | 83.5 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.5 | -55.2 | 172.2 | 170.6 | 62.5 | 0 | 0 | 0 | 109.6 | L487 L488 M493 T494 T495 V511 L514 V518 | L487-L491 PolarHBondContact O-N 2.88Å; L488-L491 PolarHBondContact O-N 3.37Å; L491-M493 VanDerWaalsContact C-N 3.35Å; L491-M493 PolarHBondContact O-N 3.06Å; L491-T494 PolarHBondContact O-N 2.88Å; L491-T495 PolarHBondContact O-N 2.87Å; L491-T495 PolarHBondContact O-OG1 3.44Å; L491-V511 HydrophobicContact CD1-CG1 4.2Å; L491-L514 HydrophobicContact CD1-CB 3.72Å; L491-V518 HydrophobicContact CD2-CB 4.35Å; L491-V518 HydrophobicContact CD2-CG2 3.87Å |
| 492 | C | 83 | Confident | 81.7 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | -177.6 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | L488 P489 T494 T495 V496 L543 C558 | L488-C492 PolarHBondContact O-N 3.28Å; L488-C492 VanDerWaalsContact O-N 3.11Å; L488-C492 PolarHBondContact O-SG 2.92Å; P489-C492 PolarHBondContact O-N 2.95Å; C492-T494 VanDerWaalsContact C-N 3.31Å; C492-T494 PolarHBondContact O-N 2.94Å; C492-T495 PolarHBondContact O-N 2.72Å; C492-V496 WeakPolarHBondContact O-CG2 3.34Å; C492-V496 PolarHBondContact O-N 3.32Å; C492-V496 VanDerWaalsContact O-N 3.13Å; C492-L543 HydrophobicContact CB-CD2 4.13Å; C492-C558 VanDerWaalsContact CA-SG 3.51Å; C492-C558 HydrophobicContact CB-CB 4.25Å; C492-C558 PolarHBondContact O-SG 3.35Å |
| 493 | M | 82 | Confident | 79.7 | Confident | 84 Ų | 84 | 36.4 Ų | 36.4 | 41% | 0.414 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -36 | 177.3 | -72.1 | -68.1 | -179.9 | 0 | 0 | 112.7 | P489 I490 L491 Q497 | P489-M493 WeakPolarHBondContact O-CB 3.35Å; P489-M493 VanDerWaalsContact O-CG 3.3Å; P489-M493 WeakPolarHBondContact O-CG 3.28Å; P489-M493 PolarHBondContact O-N 3.18Å; I490-M493 PolarHBondContact O-N 2.75Å; L491-M493 VanDerWaalsContact C-N 3.35Å; L491-M493 PolarHBondContact O-N 3.06Å; M493-Q497 WeakPolarHBondContact O-CG 3.29Å; M493-Q497 PolarHBondContact O-N 2.89Å |
| 494 | T | 79.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72 | -41.9 | 178.6 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | I490 L491 C492 V496 Q497 V498 V510 V511 L514 | I490-T494 WeakPolarHBondContact O-CB 3.21Å; I490-T494 PolarHBondContact O-N 3.03Å; I490-T494 PolarHBondContact O-OG1 2.95Å; L491-T494 PolarHBondContact O-N 2.88Å; C492-T494 VanDerWaalsContact C-N 3.31Å; C492-T494 PolarHBondContact O-N 2.94Å; T494-V496 PolarHBondContact O-N 3.16Å; T494-Q497 WeakPolarHBondContact O-CB 3.47Å; T494-Q497 PolarHBondContact O-N 3.23Å; T494-Q497 VanDerWaalsContact O-N 3.16Å; T494-V498 WeakPolarHBondContact O-CG2 3.5Å; T494-V498 PolarHBondContact O-N 3.17Å; T494-V498 VanDerWaalsContact O-N 3.12Å; T494-V510 HydrophobicContact CG2-CG1 4.33Å; T494-V511 HydrophobicContact CG2-CG2 4.02Å; T494-L514 HydrophobicContact CG2-CD1 4.27Å |
| 495 | T | 79.1 | Confident | 75.8 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57 | -40.1 | 175 | -56 | 0 | 0 | 0 | 0 | 111.6 | L491 C492 V498 E499 V511 T555 | L491-T495 PolarHBondContact O-N 2.87Å; L491-T495 PolarHBondContact O-OG1 3.44Å; C492-T495 PolarHBondContact O-N 2.72Å; T495-V498 PolarHBondContact O-N 3.34Å; T495-E499 HydrophobicContact CG2-CG 4.47Å; T495-E499 VanDerWaalsContact CG2-OE1 3.24Å; T495-E499 WeakPolarHBondContact CG2-OE1 3.41Å; T495-E499 WeakPolarHBondContact O-CG 3.28Å; T495-E499 PolarHBondContact O-N 3.19Å; T495-V511 HydrophobicContact CG2-CG1 4.37Å; T495-V511 WeakPolarHBondContact OG1-CG1 3.23Å; T495-T555 WeakPolarHBondContact CG2-OG1 3.33Å |
| 496 | V | 73.8 | Confident | 74.1 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | C492 T494 V498 E499 N500 L553 V554 T555 | C492-V496 WeakPolarHBondContact O-CG2 3.34Å; C492-V496 PolarHBondContact O-N 3.32Å; C492-V496 VanDerWaalsContact O-N 3.13Å; T494-V496 PolarHBondContact O-N 3.16Å; V496-V498 VanDerWaalsContact C-N 3.25Å; V496-V498 PolarHBondContact O-N 3.02Å; V496-E499 PolarHBondContact O-N 2.92Å; V496-N500 WeakPolarHBondContact CG1-ND2 3.31Å; V496-N500 WeakPolarHBondContact O-CB 3.43Å; V496-N500 PolarHBondContact O-N 2.59Å; V496-N500 VanDerWaalsContact O-N 3.07Å; V496-N500 PolarHBondContact O-ND2 3.3Å; V496-L553 VanDerWaalsContact CG1-O 3.22Å; V496-L553 WeakPolarHBondContact CG1-O 3.39Å; V496-L553 WeakPolarHBondContact CG2-O 3.38Å; V496-V554 HydrophobicContact CG2-CB 4.45Å; V496-T555 HydrophobicContact CB-CG2 4.36Å; V496-T555 HydrophobicContact CG2-CG2 3.88Å |
| 497 | Q | 73.6 | Confident | 72.8 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 177.3 | -71.8 | 175.1 | -4.5 | 0 | 0 | 110.9 | M493 T494 S501 | M493-Q497 WeakPolarHBondContact O-CG 3.29Å; M493-Q497 PolarHBondContact O-N 2.89Å; T494-Q497 WeakPolarHBondContact O-CB 3.47Å; T494-Q497 PolarHBondContact O-N 3.23Å; T494-Q497 VanDerWaalsContact O-N 3.16Å; Q497-S501 PolarHBondContact O-N 3.4Å; Q497-S501 PolarHBondContact O-OG 3.07Å |
| 498 | V | 73.5 | Confident | 71.8 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66 | -48.5 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | T494 T495 V496 N500 S501 S507 A508 V511 | T494-V498 WeakPolarHBondContact O-CG2 3.5Å; T494-V498 PolarHBondContact O-N 3.17Å; T494-V498 VanDerWaalsContact O-N 3.12Å; T495-V498 PolarHBondContact O-N 3.34Å; V496-V498 VanDerWaalsContact C-N 3.25Å; V496-V498 PolarHBondContact O-N 3.02Å; V498-N500 VanDerWaalsContact C-N 3.31Å; V498-N500 PolarHBondContact O-N 2.79Å; V498-S501 PolarHBondContact O-N 2.89Å; V498-S501 VanDerWaalsContact O-O 3.12Å; V498-S501 PolarHBondContact O-OG 3.4Å; V498-S507 VanDerWaalsContact CG2-C 3.43Å; V498-S507 WeakPolarHBondContact CG2-O 3.11Å; V498-A508 HydrophobicContact CG1-CB 3.97Å; V498-V511 HydrophobicContact CB-CG2 4.33Å; V498-V511 HydrophobicContact CG2-CG2 3.61Å |
| 499 | E | 70.5 | Confident | 71.2 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.5 | -29.6 | -175.5 | -70.1 | -174.7 | -141.9 | 0 | 0 | 112.4 | T495 V496 T555 S557 | T495-E499 HydrophobicContact CG2-CG 4.47Å; T495-E499 VanDerWaalsContact CG2-OE1 3.24Å; T495-E499 WeakPolarHBondContact CG2-OE1 3.41Å; T495-E499 WeakPolarHBondContact O-CG 3.28Å; T495-E499 PolarHBondContact O-N 3.19Å; V496-E499 PolarHBondContact O-N 2.92Å; E499-T555 HydrophobicContact CB-CG2 3.57Å; E499-T555 HydrophobicContact CG-CG2 3.78Å; E499-T555 WeakPolarHBondContact OE1-CB 3.45Å; E499-T555 WeakPolarHBondContact OE1-CG2 3.22Å; E499-T555 PolarHBondContact OE1-OG1 2.93Å; E499-T555 WeakPolarHBondContact OE2-CB 3.39Å; E499-T555 WeakPolarHBondContact OE2-CG2 3.49Å; E499-S557 WeakPolarHBondContact OE1-CB 3.31Å |
| 500 | N | 67.7 | Low | 71 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.8 | -24.4 | 175.8 | -74.1 | -23.4 | 0 | 0 | 0 | 113 | V496 V498 G502 F552 | V496-N500 WeakPolarHBondContact CG1-ND2 3.31Å; V496-N500 WeakPolarHBondContact O-CB 3.43Å; V496-N500 PolarHBondContact O-N 2.59Å; V496-N500 VanDerWaalsContact O-N 3.07Å; V496-N500 PolarHBondContact O-ND2 3.3Å; V498-N500 VanDerWaalsContact C-N 3.31Å; V498-N500 PolarHBondContact O-N 2.79Å; N500-G502 PolarHBondContact O-N 2.83Å; N500-F552 PolarHBondContact ND2-O 2.77Å |
| 501 | S | 60.9 | Low | 70.8 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -80.7 | 97.8 | 170.2 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | Q497 V498 T503 | Q497-S501 PolarHBondContact O-N 3.4Å; Q497-S501 PolarHBondContact O-OG 3.07Å; V498-S501 PolarHBondContact O-N 2.89Å; V498-S501 VanDerWaalsContact O-O 3.12Å; V498-S501 PolarHBondContact O-OG 3.4Å; S501-T503 PolarHBondContact O-N 3.1Å |
| 502 | G | 54.5 | Low | 70.6 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 87% | 0.866 | 34% | 0.342 | S | S | * | . | trans | -65.1 | 27 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117 | N500 | N500-G502 PolarHBondContact O-N 2.83Š| ||
| 503 | T | 50.8 | Low | 70.9 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 65% | 0.65 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -130.2 | 152.6 | 177.7 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | S501 D505 | S501-T503 PolarHBondContact O-N 3.1Å; T503-D505 VanDerWaalsContact C-N 3.27Å; T503-D505 PolarHBondContact O-N 2.94Å |
| 504 | I | 53.7 | Low | 71.2 | Confident | 180 Ų | 180 | 55.5 Ų | 55.5 | 92% | 0.923 | 33% | 0.325 | S | S | * | . | trans | -62.4 | 90.8 | 172.8 | -58.2 | 168.8 | 0 | 0 | 0 | 108 | ||||
| 505 | D | 55.6 | Low | 71.7 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -89.7 | 136.8 | -176.2 | -165.3 | 26.6 | 0 | 0 | 0 | 109.3 | T503 S507 A508 | T503-D505 VanDerWaalsContact C-N 3.27Å; T503-D505 PolarHBondContact O-N 2.94Å; D505-S507 PolarHBondContact O-N 3.16Å; D505-S507 WeakPolarHBondContact OD2-CB 3.46Å; D505-S507 PolarHBondContact OD2-OG 3.41Å; D505-A508 WeakPolarHBondContact O-CB 3.29Å; D505-A508 PolarHBondContact O-N 3.45Å | ||
| 506 | P | 56.4 | Low | 72.2 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 25% | 0.253 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | -37.5 | 167.6 | 12 | -30.6 | 0 | 0 | 0 | 113 | D432 A508 K509 | D432-P506 HydrophobicContact CB-CB 4.04Å; D432-P506 VanDerWaalsContact OD2-C 3.24Å; P506-A508 PolarHBondContact O-N 3.35Å; P506-K509 PolarHBondContact O-N 2.91Å |
| 507 | S | 66.1 | Low | 73.1 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -48.2 | -23.8 | 174.7 | -52.5 | 0 | 0 | 0 | 0 | 115.7 | V498 D505 V510 V511 | V498-S507 VanDerWaalsContact CG2-C 3.43Å; V498-S507 WeakPolarHBondContact CG2-O 3.11Å; D505-S507 PolarHBondContact O-N 3.16Å; D505-S507 WeakPolarHBondContact OD2-CB 3.46Å; D505-S507 PolarHBondContact OD2-OG 3.41Å; S507-V510 WeakPolarHBondContact O-CB 3.33Å; S507-V510 PolarHBondContact O-N 3.02Å; S507-V511 PolarHBondContact O-N 2.95Å; S507-V511 VanDerWaalsContact O-N 3.12Å |
| 508 | A | 73.3 | Confident | 74 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V498 D505 P506 V510 V511 V512 | V498-A508 HydrophobicContact CG1-CB 3.97Å; D505-A508 WeakPolarHBondContact O-CB 3.29Å; D505-A508 PolarHBondContact O-N 3.45Å; P506-A508 PolarHBondContact O-N 3.35Å; A508-V510 VanDerWaalsContact C-N 3.31Å; A508-V511 PolarHBondContact O-N 2.77Å; A508-V512 PolarHBondContact O-N 3.17Å |
| 509 | K | 77.5 | Confident | 74.8 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.5 | -33.2 | 175.7 | -59.7 | -173.7 | -160.1 | 143.6 | 0 | 111.4 | D432 P506 V511 V512 A513 | D432-K509 IonicContact OD1-NZ 2.67Å; D432-K509 PolarHBondContact OD1-NZ 3.42Å; D432-K509 WeakPolarHBondContact OD2-CB 3.43Å; P506-K509 PolarHBondContact O-N 2.91Å; K509-V511 VanDerWaalsContact C-N 3.29Å; K509-V511 PolarHBondContact O-N 2.88Å; K509-V512 PolarHBondContact O-N 3.25Å; K509-A513 WeakPolarHBondContact O-CB 3.34Å; K509-A513 PolarHBondContact O-N 3.39Å |
| 510 | V | 83.5 | Confident | 75.8 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | L428 K429 T494 S507 A508 V512 A513 L514 | L428-V510 HydrophobicContact CB-CG1 4.13Å; L428-V510 HydrophobicContact CB-CG2 4.27Å; L428-V510 HydrophobicContact CD1-CG1 4.35Å; K429-V510 HydrophobicContact CG-CG2 4.19Å; T494-V510 HydrophobicContact CG2-CG1 4.33Å; S507-V510 WeakPolarHBondContact O-CB 3.33Å; S507-V510 PolarHBondContact O-N 3.02Å; A508-V510 VanDerWaalsContact C-N 3.31Å; V510-V512 PolarHBondContact O-N 3.1Å; V510-A513 PolarHBondContact O-N 3.29Å; V510-L514 HydrophobicContact CG1-CD1 3.89Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.47Å; V510-L514 WeakPolarHBondContact O-CG 3.38Å; V510-L514 PolarHBondContact O-N 2.74Å |
| 511 | V | 83.9 | Confident | 77 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | L491 T494 T495 V498 S507 A508 K509 A513 L514 S515 | L491-V511 HydrophobicContact CD1-CG1 4.2Å; T494-V511 HydrophobicContact CG2-CG2 4.02Å; T495-V511 HydrophobicContact CG2-CG1 4.37Å; T495-V511 WeakPolarHBondContact OG1-CG1 3.23Å; V498-V511 HydrophobicContact CB-CG2 4.33Å; V498-V511 HydrophobicContact CG2-CG2 3.61Å; S507-V511 PolarHBondContact O-N 2.95Å; S507-V511 VanDerWaalsContact O-N 3.12Å; A508-V511 PolarHBondContact O-N 2.77Å; K509-V511 VanDerWaalsContact C-N 3.29Å; K509-V511 PolarHBondContact O-N 2.88Å; V511-A513 VanDerWaalsContact C-N 3.34Å; V511-A513 PolarHBondContact O-N 3.25Å; V511-L514 PolarHBondContact O-N 3.31Å; V511-S515 WeakPolarHBondContact O-CB 3.44Å; V511-S515 PolarHBondContact O-N 3.33Å; V511-S515 PolarHBondContact O-OG 3.32Å; V511-S515 VanDerWaalsContact O-OG 3.11Å |
| 512 | V | 84.6 | Confident | 78.4 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 62% | 0.624 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | A508 K509 V510 S515 S516 | A508-V512 PolarHBondContact O-N 3.17Å; K509-V512 PolarHBondContact O-N 3.25Å; V510-V512 PolarHBondContact O-N 3.1Å; V512-S515 PolarHBondContact O-N 3.18Å; V512-S516 PolarHBondContact O-N 2.91Å |
| 513 | A | 87.9 | Confident | 80.1 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L428 I465 K509 V510 V511 S516 T517 | L428-A513 HydrophobicContact CD1-CB 3.85Å; L428-A513 HydrophobicContact CD2-CB 3.96Å; I465-A513 HydrophobicContact CB-CB 4.08Å; I465-A513 HydrophobicContact CG1-CB 4.01Å; I465-A513 HydrophobicContact CG2-CB 3.99Å; K509-A513 WeakPolarHBondContact O-CB 3.34Å; K509-A513 PolarHBondContact O-N 3.39Å; V510-A513 PolarHBondContact O-N 3.29Å; V511-A513 VanDerWaalsContact C-N 3.34Å; V511-A513 PolarHBondContact O-N 3.25Å; A513-S516 PolarHBondContact O-N 3.18Å; A513-T517 PolarHBondContact O-N 3.08Å; A513-T517 PolarHBondContact O-OG1 3.45Å |
| 514 | L | 90 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.9 | -66.4 | 173.1 | 0 | 0 | 0 | 111.8 | V425 L428 L487 L491 T494 V510 V511 T517 V518 | V425-L514 HydrophobicContact CG2-CD1 4.05Å; V425-L514 HydrophobicContact CG2-CD2 3.64Å; V425-L514 HydrophobicContact CG2-CG 4.46Å; L428-L514 HydrophobicContact CD1-CD2 4.06Å; L428-L514 HydrophobicContact CD1-CG 4.34Å; L487-L514 HydrophobicContact CD1-CD2 3.75Å; L491-L514 HydrophobicContact CD1-CB 3.72Å; T494-L514 HydrophobicContact CG2-CD1 4.27Å; V510-L514 HydrophobicContact CG1-CD1 3.89Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.47Å; V510-L514 WeakPolarHBondContact O-CG 3.38Å; V510-L514 PolarHBondContact O-N 2.74Å; V511-L514 PolarHBondContact O-N 3.31Å; L514-T517 WeakPolarHBondContact O-CB 3.49Å; L514-T517 PolarHBondContact O-N 2.9Å; L514-T517 VanDerWaalsContact O-N 3.16Å; L514-V518 WeakPolarHBondContact O-CG2 3.48Å; L514-V518 PolarHBondContact O-N 2.92Å |
| 515 | S | 88.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 174.2 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | V511 V512 T517 V518 E519 | V511-S515 WeakPolarHBondContact O-CB 3.44Å; V511-S515 PolarHBondContact O-N 3.33Å; V511-S515 PolarHBondContact O-OG 3.32Å; V511-S515 VanDerWaalsContact O-OG 3.11Å; V512-S515 PolarHBondContact O-N 3.18Å; S515-T517 VanDerWaalsContact C-N 3.25Å; S515-T517 PolarHBondContact O-N 3.34Å; S515-V518 PolarHBondContact O-N 3Å; S515-V518 VanDerWaalsContact O-N 3.15Å; S515-E519 WeakPolarHBondContact O-CG 3.43Å; S515-E519 PolarHBondContact O-N 3.2Å |
| 516 | S | 90.6 | Very high | 85.4 | Confident | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58 | -38.2 | 175 | 174 | 0 | 0 | 0 | 0 | 112.4 | M466 N469 V512 A513 A520 | M466-S516 PolarHBondContact SD-OG 2.9Å; M466-S516 VanDerWaalsContact SD-OG 3.34Å; N469-S516 PolarHBondContact ND2-OG 3.29Å; V512-S516 PolarHBondContact O-N 2.91Å; A513-S516 PolarHBondContact O-N 3.18Å; S516-A520 WeakPolarHBondContact O-CB 3.36Å; S516-A520 PolarHBondContact O-N 2.88Å |
| 517 | T | 92.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 176.8 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | I465 N469 L472 L487 A513 L514 S515 A520 L521 | I465-T517 WeakPolarHBondContact CG1-OG1 3.4Å; N469-T517 WeakPolarHBondContact OD1-CG2 3.44Å; N469-T517 PolarHBondContact OD1-OG1 3.45Å; L472-T517 HydrophobicContact CD1-CG2 3.75Å; L487-T517 HydrophobicContact CD2-CG2 3.45Å; L487-T517 VanDerWaalsContact CD2-CG2 3.45Å; A513-T517 PolarHBondContact O-N 3.08Å; A513-T517 PolarHBondContact O-OG1 3.45Å; L514-T517 WeakPolarHBondContact O-CB 3.49Å; L514-T517 PolarHBondContact O-N 2.9Å; L514-T517 VanDerWaalsContact O-N 3.16Å; S515-T517 VanDerWaalsContact C-N 3.25Å; S515-T517 PolarHBondContact O-N 3.34Å; T517-A520 PolarHBondContact O-N 2.94Å; T517-L521 HydrophobicContact CG2-CD1 4.35Å; T517-L521 VanDerWaalsContact O-CG 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.32Å; T517-L521 PolarHBondContact O-N 3.22Å |
| 518 | V | 91.9 | Very high | 87.8 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | F484 L487 L491 L514 S515 L521 L522 | F484-V518 HydrophobicContact CD2-CG1 4.14Å; F484-V518 HydrophobicContact CE2-CG1 3.71Å; L487-V518 HydrophobicContact CB-CG2 4.4Å; L487-V518 HydrophobicContact CD2-CG2 3.64Å; L487-V518 HydrophobicContact CG-CG2 3.87Å; L491-V518 HydrophobicContact CD2-CB 4.35Å; L491-V518 HydrophobicContact CD2-CG2 3.87Å; L514-V518 WeakPolarHBondContact O-CG2 3.48Å; L514-V518 PolarHBondContact O-N 2.92Å; S515-V518 PolarHBondContact O-N 3Å; S515-V518 VanDerWaalsContact O-N 3.15Å; V518-L521 PolarHBondContact O-N 3.4Å; V518-L522 WeakPolarHBondContact O-CB 3.37Å; V518-L522 PolarHBondContact O-N 3.31Å |
| 519 | E | 89.9 | Confident | 88.5 | Confident | 134 Ų | 134 | 49 Ų | 49 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 176.3 | -73.5 | 173.3 | -168.9 | 0 | 0 | 111.8 | S515 L521 L522 D523 | S515-E519 WeakPolarHBondContact O-CG 3.43Å; S515-E519 PolarHBondContact O-N 3.2Å; E519-L521 VanDerWaalsContact C-N 3.34Å; E519-L521 PolarHBondContact O-N 3.48Å; E519-L522 PolarHBondContact O-N 3.47Å; E519-D523 WeakPolarHBondContact O-CB 3.31Å; E519-D523 PolarHBondContact O-N 3.36Å |
| 520 | A | 92.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N469 S516 T517 K524 | N469-A520 HydrophobicContact CB-CB 4.1Å; S516-A520 WeakPolarHBondContact O-CB 3.36Å; S516-A520 PolarHBondContact O-N 2.88Å; T517-A520 PolarHBondContact O-N 2.94Å; A520-K524 WeakPolarHBondContact O-CB 3.2Å; A520-K524 PolarHBondContact O-N 3.39Å; A520-K524 VanDerWaalsContact O-N 3.15Å |
| 521 | L | 93 | Very high | 88.8 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 175.8 | -70 | 175 | 0 | 0 | 0 | 111.7 | L472 L483 F484 L487 T517 V518 E519 F525 | L472-L521 HydrophobicContact CB-CD2 4.41Å; L483-L521 HydrophobicContact CB-CD1 4.05Å; F484-L521 HydrophobicContact CB-CB 4.34Å; F484-L521 HydrophobicContact CB-CD1 4.32Å; F484-L521 HydrophobicContact CD2-CB 4.4Å; L487-L521 HydrophobicContact CD2-CD1 4.26Å; T517-L521 HydrophobicContact CG2-CD1 4.35Å; T517-L521 VanDerWaalsContact O-CG 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.32Å; T517-L521 PolarHBondContact O-N 3.22Å; V518-L521 PolarHBondContact O-N 3.4Å; E519-L521 VanDerWaalsContact C-N 3.34Å; E519-L521 PolarHBondContact O-N 3.48Å; L521-F525 HydrophobicContact CD2-CD2 3.9Å; L521-F525 HydrophobicContact CD2-CE2 3.78Å; L521-F525 WeakPolarHBondContact O-CB 3.4Å; L521-F525 WeakPolarHBondContact O-CD2 3.41Å; L521-F525 PolarHBondContact O-N 3Å |
| 522 | L | 89.2 | Confident | 88.7 | Confident | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 179.4 | -169.6 | 66.7 | 0 | 0 | 0 | 111.4 | F484 V518 E519 K524 S526 I529 F530 | F484-L522 HydrophobicContact CE2-CB 4.25Å; F484-L522 HydrophobicContact CE2-CD1 3.92Å; F484-L522 HydrophobicContact CZ-CD1 4.09Å; V518-L522 WeakPolarHBondContact O-CB 3.37Å; V518-L522 PolarHBondContact O-N 3.31Å; E519-L522 PolarHBondContact O-N 3.47Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 2.89Å; L522-S526 VanDerWaalsContact O-CA 3.26Å; L522-S526 WeakPolarHBondContact O-CA 3.38Å; L522-S526 WeakPolarHBondContact O-CB 3.11Å; L522-S526 PolarHBondContact O-N 3.34Å; L522-I529 HydrophobicContact CD1-CD1 4.18Å; L522-I529 HydrophobicContact CD1-CG2 4.45Å; L522-F530 HydrophobicContact CD1-CE1 4.49Å; L522-F530 HydrophobicContact CD1-CE2 4.14Å; L522-F530 HydrophobicContact CD1-CZ 3.73Å |
| 523 | D | 90.6 | Very high | 88.4 | Confident | 141 Ų | 141 | 43.8 Ų | 43.8 | 75% | 0.754 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.8 | -47.2 | 177.1 | -175.8 | 57.5 | 0 | 0 | 0 | 111.1 | E519 | E519-D523 WeakPolarHBondContact O-CB 3.31Å; E519-D523 PolarHBondContact O-N 3.36Å |
| 524 | K | 92.2 | Very high | 87.9 | Confident | 121 Ų | 121 | 47.7 Ų | 47.7 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -75.4 | -38.4 | -175.9 | -173.8 | 59.5 | 175.3 | -179.3 | 0 | 114.3 | C473 A520 L522 | C473-K524 HydrophobicContact CB-CB 4.5Å; C473-K524 HydrophobicContact CB-CG 4.1Å; C473-K524 WeakPolarHBondContact O-CE 3.39Å; A520-K524 WeakPolarHBondContact O-CB 3.2Å; A520-K524 PolarHBondContact O-N 3.39Å; A520-K524 VanDerWaalsContact O-N 3.15Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 2.89Å |
| 525 | F | 92.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -117.4 | 13 | -168.5 | -55.3 | -66.9 | 0 | 0 | 0 | 113.9 | V475 A477 L521 T527 K528 I529 | V475-F525 HydrophobicContact CG2-CE2 4.21Å; V475-F525 HydrophobicContact CG2-CZ 3.83Å; A477-F525 HydrophobicContact CB-CD1 4.26Å; L521-F525 HydrophobicContact CD2-CD2 3.9Å; L521-F525 HydrophobicContact CD2-CE2 3.78Å; L521-F525 WeakPolarHBondContact O-CB 3.4Å; L521-F525 WeakPolarHBondContact O-CD2 3.41Å; L521-F525 PolarHBondContact O-N 3Å; F525-T527 VanDerWaalsContact C-N 3.3Å; F525-T527 PolarHBondContact O-N 2.89Å; F525-K528 PolarHBondContact O-N 3.36Å; F525-I529 HydrophobicContact CB-CD1 3.96Å; F525-I529 HydrophobicContact CB-CG1 4.29Å; F525-I529 WeakPolarHBondContact O-CG1 3.4Å; F525-I529 PolarHBondContact O-N 3.13Å |
| 526 | S | 86.4 | Confident | 87.6 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -41.4 | -52.6 | 178.4 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | L522 K528 I529 F530 | L522-S526 VanDerWaalsContact O-CA 3.26Å; L522-S526 WeakPolarHBondContact O-CA 3.38Å; L522-S526 WeakPolarHBondContact O-CB 3.11Å; L522-S526 PolarHBondContact O-N 3.34Å; S526-K528 VanDerWaalsContact C-N 3.3Å; S526-K528 PolarHBondContact O-N 3.12Å; S526-I529 PolarHBondContact O-N 3.28Å; S526-F530 WeakPolarHBondContact O-CB 3.3Å; S526-F530 WeakPolarHBondContact O-CD2 3.47Å; S526-F530 WeakPolarHBondContact O-CG 3.35Å; S526-F530 PolarHBondContact O-N 3.07Å |
| 527 | T | 85.8 | Confident | 87.3 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 64% | 0.644 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.4 | -42 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 113 | F525 A531 | F525-T527 VanDerWaalsContact C-N 3.3Å; F525-T527 PolarHBondContact O-N 2.89Å; T527-A531 VanDerWaalsContact O-CB 3.22Å; T527-A531 WeakPolarHBondContact O-CB 3.29Å; T527-A531 PolarHBondContact O-N 3.27Å; T527-A531 VanDerWaalsContact O-N 3.11Å |
| 528 | K | 88.4 | Confident | 86.8 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.4 | -38 | -179.9 | -175.9 | 57.8 | -179.7 | 164 | 0 | 112 | A477 A481 F525 S526 A531 E532 | A477-K528 HydrophobicContact CB-CB 4.11Å; A477-K528 HydrophobicContact CB-CG 4.15Å; A481-K528 HydrophobicContact CB-CG 3.98Å; F525-K528 PolarHBondContact O-N 3.36Å; S526-K528 VanDerWaalsContact C-N 3.3Å; S526-K528 PolarHBondContact O-N 3.12Å; K528-A531 PolarHBondContact O-N 2.88Å; K528-E532 VanDerWaalsContact CE-OE1 3.27Å; K528-E532 WeakPolarHBondContact CE-OE1 3.37Å; K528-E532 IonicContact NZ-OE1 3.97Å; K528-E532 PolarHBondContact NZ-OE1 3.44Å; K528-E532 PolarHBondContact O-N 3.23Å |
| 529 | I | 87.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 176.8 | -67.7 | 165 | 0 | 0 | 0 | 110.1 | A481 F484 F485 L522 F525 S526 E532 L536 | A481-I529 HydrophobicContact CB-CG1 3.96Å; F484-I529 HydrophobicContact CB-CD1 3.81Å; F484-I529 HydrophobicContact CB-CG1 4.32Å; F484-I529 HydrophobicContact CD1-CD1 3.98Å; F484-I529 HydrophobicContact CD1-CG1 4.18Å; F484-I529 HydrophobicContact CD1-CG2 3.75Å; F484-I529 HydrophobicContact CD2-CD1 3.95Å; F484-I529 HydrophobicContact CE1-CG2 3.67Å; F484-I529 HydrophobicContact CG-CD1 3.64Å; F484-I529 HydrophobicContact CG-CG1 4.25Å; F484-I529 HydrophobicContact CG-CG2 4.5Å; F484-I529 HydrophobicContact CZ-CG2 4.33Å; F485-I529 HydrophobicContact CE1-CG2 4.35Å; F485-I529 HydrophobicContact CZ-CG2 4.06Å; L522-I529 HydrophobicContact CD1-CD1 4.18Å; L522-I529 HydrophobicContact CD1-CG2 4.45Å; F525-I529 HydrophobicContact CB-CD1 3.96Å; F525-I529 HydrophobicContact CB-CG1 4.29Å; F525-I529 WeakPolarHBondContact O-CG1 3.4Å; F525-I529 PolarHBondContact O-N 3.13Å; S526-I529 PolarHBondContact O-N 3.28Å; I529-E532 PolarHBondContact O-N 3.42Å; I529-L536 HydrophobicContact CG2-CD1 4.42Å |
| 530 | F | 85 | Confident | 86.3 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.6 | -25.8 | -178.9 | -63.1 | -55.1 | 0 | 0 | 0 | 113.1 | L522 S526 E532 S533 L536 V568 A569 F572 | L522-F530 HydrophobicContact CD1-CE1 4.49Å; L522-F530 HydrophobicContact CD1-CE2 4.14Å; L522-F530 HydrophobicContact CD1-CZ 3.73Å; S526-F530 WeakPolarHBondContact O-CB 3.3Å; S526-F530 WeakPolarHBondContact O-CD2 3.47Å; S526-F530 WeakPolarHBondContact O-CG 3.35Å; S526-F530 PolarHBondContact O-N 3.07Å; F530-E532 PolarHBondContact O-N 3.29Å; F530-S533 PolarHBondContact O-N 3.02Å; F530-L536 HydrophobicContact CD1-CD2 3.7Å; F530-L536 HydrophobicContact CE1-CD2 3.95Å; F530-V568 HydrophobicContact CE1-CB 4.42Å; F530-V568 HydrophobicContact CE1-CG1 4.15Å; F530-V568 HydrophobicContact CE2-CG1 3.7Å; F530-V568 HydrophobicContact CZ-CB 3.99Å; F530-V568 HydrophobicContact CZ-CG1 3.38Å; F530-A569 HydrophobicContact CD1-CB 3.83Å; F530-A569 HydrophobicContact CE1-CB 3.91Å; F530-F572 HydrophobicContact CB-CB 3.99Å; F530-F572 HydrophobicContact CB-CG 4.34Å; F530-F572 HydrophobicContact CD2-CB 4.37Å; F530-F572 HydrophobicContact CD2-CD1 4.32Å; F530-F572 AromaticContact CD2-CD2 3.89Å; F530-F572 HydrophobicContact CD2-CD2 3.89Å; F530-F572 HydrophobicContact CD2-CE2 4.23Å; F530-F572 AromaticContact CD2-CG 3.94Å; F530-F572 HydrophobicContact CD2-CG 3.94Å; F530-F572 HydrophobicContact CE2-CD2 4.12Å; F530-F572 HydrophobicContact CE2-CE2 4.21Å; F530-F572 HydrophobicContact CG-CB 4.19Å; F530-F572 HydrophobicContact CG-CD2 4.46Å; F530-F572 HydrophobicContact CG-CG 4.26Å |
| 531 | A | 82.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.8 | -22.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | T527 K528 S533 | T527-A531 VanDerWaalsContact O-CB 3.22Å; T527-A531 WeakPolarHBondContact O-CB 3.29Å; T527-A531 PolarHBondContact O-N 3.27Å; T527-A531 VanDerWaalsContact O-N 3.11Å; K528-A531 PolarHBondContact O-N 2.88Å; A531-S533 VanDerWaalsContact C-N 3.25Å; A531-S533 PolarHBondContact O-N 3.03Å |
| 532 | E | 82.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 47.4 | 172.5 | -68.5 | -176.6 | -157.5 | 0 | 0 | 111.2 | F485 K528 I529 F530 R534 R535 L536 | F485-E532 HydrophobicContact CE2-CB 4.11Å; F485-E532 WeakPolarHBondContact CE2-OE2 3.49Å; F485-E532 HydrophobicContact CZ-CB 4.08Å; K528-E532 VanDerWaalsContact CE-OE1 3.27Å; K528-E532 WeakPolarHBondContact CE-OE1 3.37Å; K528-E532 IonicContact NZ-OE1 3.97Å; K528-E532 PolarHBondContact NZ-OE1 3.44Å; K528-E532 PolarHBondContact O-N 3.23Å; I529-E532 PolarHBondContact O-N 3.42Å; F530-E532 PolarHBondContact O-N 3.29Å; E532-R534 VanDerWaalsContact C-N 3.27Å; E532-R534 PolarHBondContact O-N 2.9Å; E532-R534 VanDerWaalsContact O-N 3.14Å; E532-R535 HydrophobicContact CB-CB 4.36Å; E532-R535 PolarHBondContact O-N 3.06Å; E532-R535 IonicContact OE2-NH1 3.59Å; E532-R535 PolarHBondContact OE2-NH1 3.26Å; E532-L536 PolarHBondContact O-N 3.32Å |
| 533 | S | 78.7 | Confident | 85.1 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -48.3 | -44.9 | -173.4 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | F530 A531 R535 L536 L537 D577 | F530-S533 PolarHBondContact O-N 3.02Å; A531-S533 VanDerWaalsContact C-N 3.25Å; A531-S533 PolarHBondContact O-N 3.03Å; S533-R535 PolarHBondContact O-N 3.32Å; S533-L536 PolarHBondContact O-N 3.38Å; S533-L537 WeakPolarHBondContact O-CB 3.4Å; S533-L537 WeakPolarHBondContact O-CD1 3.28Å; S533-L537 WeakPolarHBondContact O-CG 3.44Å; S533-L537 PolarHBondContact O-N 3Å; S533-D577 WeakPolarHBondContact CB-OD1 3.43Å; S533-D577 PolarHBondContact OG-OD1 3.42Å |
| 534 | R | 76.7 | Confident | 84.7 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 35% | 0.347 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 178.2 | -62.2 | -177.1 | -173.4 | 179.8 | 3.2 | 112.8 | E532 L537 D538 E651 | E532-R534 VanDerWaalsContact C-N 3.27Å; E532-R534 PolarHBondContact O-N 2.9Å; E532-R534 VanDerWaalsContact O-N 3.14Å; R534-L537 PolarHBondContact O-N 3.14Å; R534-D538 PolarHBondContact O-N 3.45Å; R534-E651 IonicContact CZ-OE1 3.08Å; R534-E651 IonicContact NH2-OE1 2.86Å; R534-E651 PolarHBondContact NH2-OE1 3.36Å |
| 535 | R | 84.7 | Confident | 84 | Confident | 97 Ų | 97 | 40.7 Ų | 40.7 | 37% | 0.366 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.5 | -41 | -178 | -174.2 | 178.7 | 178.6 | -173.7 | 0.8 | 111 | N482 F485 E532 S533 D538 V539 | N482-R535 PolarHBondContact OD1-NH1 3.05Å; N482-R535 PolarHBondContact OD1-NH2 2.97Å; F485-R535 HydrophobicContact CD1-CG 4.29Å; F485-R535 HydrophobicContact CD2-CG 4.28Å; F485-R535 HydrophobicContact CE1-CG 4.34Å; F485-R535 HydrophobicContact CE2-CG 4.3Å; F485-R535 HydrophobicContact CG-CG 4.28Å; F485-R535 HydrophobicContact CZ-CB 4.35Å; F485-R535 HydrophobicContact CZ-CG 4.33Å; E532-R535 HydrophobicContact CB-CB 4.36Å; E532-R535 PolarHBondContact O-N 3.06Å; E532-R535 IonicContact OE2-NH1 3.59Å; E532-R535 PolarHBondContact OE2-NH1 3.26Å; S533-R535 PolarHBondContact O-N 3.32Å; R535-D538 PolarHBondContact O-N 3.48Å; R535-V539 WeakPolarHBondContact O-CG2 3.33Å; R535-V539 PolarHBondContact O-N 2.94Å |
| 536 | L | 87.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 174.7 | -178 | 65.7 | 0 | 0 | 0 | 111.4 | F484 F485 I529 F530 E532 S533 D538 V539 C540 I565 A569 | F484-L536 HydrophobicContact CE1-CD1 3.96Å; F485-L536 HydrophobicContact CE1-CB 3.8Å; F485-L536 HydrophobicContact CE1-CD1 3.81Å; F485-L536 HydrophobicContact CE1-CG 4.44Å; F485-L536 HydrophobicContact CZ-CB 4.21Å; I529-L536 HydrophobicContact CG2-CD1 4.42Å; F530-L536 HydrophobicContact CD1-CD2 3.7Å; F530-L536 HydrophobicContact CE1-CD2 3.95Å; E532-L536 PolarHBondContact O-N 3.32Å; S533-L536 PolarHBondContact O-N 3.38Å; L536-D538 PolarHBondContact O-N 2.88Å; L536-V539 PolarHBondContact O-N 2.95Å; L536-C540 WeakPolarHBondContact O-CB 3.32Å; L536-C540 PolarHBondContact O-N 3.22Å; L536-C540 PolarHBondContact O-SG 3.02Å; L536-I565 HydrophobicContact CD1-CG2 3.81Å; L536-I565 HydrophobicContact CD2-CG2 4.34Å; L536-I565 HydrophobicContact CG-CG2 4.47Å; L536-A569 HydrophobicContact CD2-CB 3.66Å |
| 537 | L | 84.5 | Confident | 82.4 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | -179.1 | -69.7 | 169.1 | 0 | 0 | 0 | 112.6 | S533 R534 C540 R541 L566 S580 F581 I584 | S533-L537 WeakPolarHBondContact O-CB 3.4Å; S533-L537 WeakPolarHBondContact O-CD1 3.28Å; S533-L537 WeakPolarHBondContact O-CG 3.44Å; S533-L537 PolarHBondContact O-N 3Å; R534-L537 PolarHBondContact O-N 3.14Å; L537-C540 PolarHBondContact O-N 2.86Å; L537-R541 VanDerWaalsContact O-CB 3.28Å; L537-R541 WeakPolarHBondContact O-CB 3.31Å; L537-R541 PolarHBondContact O-N 2.7Å; L537-L566 HydrophobicContact CD2-CD2 3.63Å; L537-S580 VanDerWaalsContact CD1-CB 3.45Å; L537-S580 WeakPolarHBondContact CD1-O 3.26Å; L537-F581 HydrophobicContact CD2-CD1 3.75Å; L537-F581 HydrophobicContact CD2-CE1 3.65Å; L537-F581 HydrophobicContact CD2-CG 4.47Å; L537-F581 HydrophobicContact CD2-CZ 4.3Å; L537-I584 HydrophobicContact CD2-CB 4.42Å; L537-I584 HydrophobicContact CD2-CD1 4.33Å; L537-I584 HydrophobicContact CD2-CG2 4.03Å |
| 538 | D | 82.8 | Confident | 81.7 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.7 | -79.9 | -42.9 | 0 | 0 | 0 | 111.3 | R534 R535 L536 R541 T542 R583 | R534-D538 PolarHBondContact O-N 3.45Å; R535-D538 PolarHBondContact O-N 3.48Å; L536-D538 PolarHBondContact O-N 2.88Å; D538-R541 PolarHBondContact O-N 2.72Å; D538-R541 IonicContact OD1-CZ 2.75Å; D538-R541 IonicContact OD1-NH1 3.95Å; D538-R541 IonicContact OD1-NH2 2.87Å; D538-R541 PolarHBondContact OD1-NH2 3.37Å; D538-T542 WeakPolarHBondContact O-CG2 3.47Å; D538-T542 PolarHBondContact O-N 3.21Å; D538-T542 PolarHBondContact O-OG1 3.45Å; D538-R583 IonicContact OD1-CZ 2.64Å; D538-R583 IonicContact OD1-NH1 3.13Å; D538-R583 PolarHBondContact OD1-NH1 2.92Å; D538-R583 IonicContact OD1-NH2 2.78Å; D538-R583 IonicContact OD2-NH1 2.78Å; D538-R583 PolarHBondContact OD2-NH1 3.5Å; D538-R583 VanDerWaalsContact OD2-NH1 3.17Å |
| 539 | V | 85 | Confident | 80.7 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -51.5 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | F485 L488 P489 R535 L536 R541 T542 L543 | F485-V539 HydrophobicContact CD1-CG2 4.34Å; L488-V539 HydrophobicContact CD2-CG1 4.2Å; P489-V539 HydrophobicContact CG-CG1 4.05Å; R535-V539 WeakPolarHBondContact O-CG2 3.33Å; R535-V539 PolarHBondContact O-N 2.94Å; L536-V539 PolarHBondContact O-N 2.95Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 3.4Å; V539-T542 PolarHBondContact O-N 3.08Å; V539-T542 PolarHBondContact O-OG1 3.42Å; V539-L543 HydrophobicContact CG1-CD1 3.98Å; V539-L543 HydrophobicContact CG1-CG 4.49Å; V539-L543 WeakPolarHBondContact O-CG 3.34Å; V539-L543 PolarHBondContact O-N 3.26Å; V539-L543 VanDerWaalsContact O-N 3.08Å |
| 540 | C | 86.6 | Confident | 79 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 178.4 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | L536 L537 T542 L543 L544 V562 L566 I584 | L536-C540 WeakPolarHBondContact O-CB 3.32Å; L536-C540 PolarHBondContact O-N 3.22Å; L536-C540 PolarHBondContact O-SG 3.02Å; L537-C540 PolarHBondContact O-N 2.86Å; C540-T542 PolarHBondContact O-N 2.82Å; C540-L543 PolarHBondContact O-N 2.77Å; C540-L544 WeakPolarHBondContact O-CG 3.44Å; C540-L544 PolarHBondContact O-N 3.08Å; C540-V562 HydrophobicContact CB-CG1 3.75Å; C540-L566 HydrophobicContact CB-CD1 4.25Å; C540-L566 HydrophobicContact CB-CD2 3.82Å; C540-L566 HydrophobicContact CB-CG 4.14Å; C540-I584 HydrophobicContact CB-CD1 3.82Å |
| 541 | R | 84.1 | Confident | 77.3 | Confident | 61 Ų | 61 | 52 Ų | 52 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 176.4 | -175.3 | -173.4 | 65.9 | -150.8 | -16.5 | 111.1 | L537 D538 V539 L543 L544 E545 I584 | L537-R541 VanDerWaalsContact O-CB 3.28Å; L537-R541 WeakPolarHBondContact O-CB 3.31Å; L537-R541 PolarHBondContact O-N 2.7Å; D538-R541 PolarHBondContact O-N 2.72Å; D538-R541 IonicContact OD1-CZ 2.75Å; D538-R541 IonicContact OD1-NH1 3.95Å; D538-R541 IonicContact OD1-NH2 2.87Å; D538-R541 PolarHBondContact OD1-NH2 3.37Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 3.4Å; R541-L543 VanDerWaalsContact C-N 3.26Å; R541-L543 PolarHBondContact O-N 3.28Å; R541-L544 PolarHBondContact O-N 3.33Å; R541-E545 WeakPolarHBondContact CD-OE1 3.3Å; R541-E545 HydrophobicContact CG-CG 4.2Å; R541-E545 WeakPolarHBondContact CG-OE1 3.3Å; R541-E545 IonicContact NE-OE1 3.62Å; R541-E545 WeakPolarHBondContact O-CB 3.43Å; R541-E545 WeakPolarHBondContact O-CG 3.4Å; R541-E545 PolarHBondContact O-N 3.12Å; R541-I584 HydrophobicContact CB-CD1 4.27Å; R541-I584 HydrophobicContact CB-CG1 4.23Å |
| 542 | T | 82.5 | Confident | 75.9 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -36.2 | -179.7 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | D538 V539 C540 S546 | D538-T542 WeakPolarHBondContact O-CG2 3.47Å; D538-T542 PolarHBondContact O-N 3.21Å; D538-T542 PolarHBondContact O-OG1 3.45Å; V539-T542 PolarHBondContact O-N 3.08Å; V539-T542 PolarHBondContact O-OG1 3.42Å; C540-T542 PolarHBondContact O-N 2.82Å; T542-S546 WeakPolarHBondContact O-CB 3.13Å; T542-S546 PolarHBondContact O-N 3.29Å; T542-S546 VanDerWaalsContact O-N 3.09Å; T542-S546 PolarHBondContact O-OG 3.09Å |
| 543 | L | 81.7 | Confident | 74.5 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 176.7 | -65.1 | 173.3 | 0 | 0 | 0 | 111.9 | L488 P489 C492 V539 C540 R541 S546 A547 V562 | L488-L543 HydrophobicContact CD2-CD1 4.2Å; L488-L543 HydrophobicContact CG-CD1 4Å; P489-L543 HydrophobicContact CB-CD2 4.2Å; C492-L543 HydrophobicContact CB-CD2 4.13Å; V539-L543 HydrophobicContact CG1-CD1 3.98Å; V539-L543 HydrophobicContact CG1-CG 4.49Å; V539-L543 WeakPolarHBondContact O-CG 3.34Å; V539-L543 PolarHBondContact O-N 3.26Å; V539-L543 VanDerWaalsContact O-N 3.08Å; C540-L543 PolarHBondContact O-N 2.77Å; R541-L543 VanDerWaalsContact C-N 3.26Å; R541-L543 PolarHBondContact O-N 3.28Å; L543-S546 PolarHBondContact O-N 3.49Å; L543-A547 PolarHBondContact O-N 2.8Å; L543-A547 VanDerWaalsContact O-N 3.07Å; L543-V562 HydrophobicContact CB-CG2 4.11Å; L543-V562 HydrophobicContact CD1-CG2 3.91Å |
| 544 | L | 81.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 176.3 | -66.2 | 179.8 | 0 | 0 | 0 | 112.4 | C540 R541 S546 A547 M548 V559 V562 L566 I584 M587 V588 L591 | C540-L544 WeakPolarHBondContact O-CG 3.44Å; C540-L544 PolarHBondContact O-N 3.08Å; R541-L544 PolarHBondContact O-N 3.33Å; L544-S546 VanDerWaalsContact C-N 3.31Å; L544-S546 PolarHBondContact O-N 2.89Å; L544-A547 WeakPolarHBondContact O-CB 3.03Å; L544-A547 PolarHBondContact O-N 3.35Å; L544-A547 VanDerWaalsContact O-N 3.13Å; L544-M548 WeakPolarHBondContact O-CG 3.44Å; L544-M548 PolarHBondContact O-N 3.08Å; L544-V559 HydrophobicContact CD2-CG1 4.28Å; L544-V562 HydrophobicContact CD1-CG1 4.16Å; L544-V562 HydrophobicContact CD2-CB 4.14Å; L544-V562 HydrophobicContact CD2-CG1 3.8Å; L544-V562 HydrophobicContact CG-CG1 3.76Å; L544-L566 HydrophobicContact CD1-CD1 4.07Å; L544-I584 HydrophobicContact CD1-CD1 4.31Å; L544-M587 HydrophobicContact CB-CG 4.02Å; L544-V588 HydrophobicContact CD1-CG2 4.48Å; L544-L591 HydrophobicContact CD2-CD1 3.76Å |
| 545 | E | 79.1 | Confident | 73 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.4 | -81.1 | 176.3 | -174.8 | 0 | 0 | 111 | R541 A547 M548 Q549 M587 | R541-E545 WeakPolarHBondContact CD-OE1 3.3Å; R541-E545 HydrophobicContact CG-CG 4.2Å; R541-E545 WeakPolarHBondContact CG-OE1 3.3Å; R541-E545 IonicContact NE-OE1 3.62Å; R541-E545 WeakPolarHBondContact O-CB 3.43Å; R541-E545 WeakPolarHBondContact O-CG 3.4Å; R541-E545 PolarHBondContact O-N 3.12Å; E545-A547 PolarHBondContact O-N 2.91Å; E545-M548 PolarHBondContact O-N 2.79Å; E545-Q549 PolarHBondContact O-N 2.92Å; E545-M587 HydrophobicContact CB-SD 4.36Å; E545-M587 HydrophobicContact CG-CE 4.3Å; E545-M587 HydrophobicContact CG-CG 4.23Å; E545-M587 HydrophobicContact CG-SD 3.36Å; E545-M587 WeakPolarHBondContact CG-SD 3.39Å |
| 546 | S | 73.8 | Confident | 72.6 | Confident | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | T542 L543 L544 M548 | T542-S546 WeakPolarHBondContact O-CB 3.13Å; T542-S546 PolarHBondContact O-N 3.29Å; T542-S546 VanDerWaalsContact O-N 3.09Å; T542-S546 PolarHBondContact O-OG 3.09Å; L543-S546 PolarHBondContact O-N 3.49Å; L544-S546 VanDerWaalsContact C-N 3.31Å; L544-S546 PolarHBondContact O-N 2.89Å; S546-M548 VanDerWaalsContact C-N 3.29Å; S546-M548 PolarHBondContact O-N 3.21Å |
| 547 | A | 71.2 | Confident | 72 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.9 | -22.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L543 L544 E545 V554 V559 | L543-A547 PolarHBondContact O-N 2.8Å; L543-A547 VanDerWaalsContact O-N 3.07Å; L544-A547 WeakPolarHBondContact O-CB 3.03Å; L544-A547 PolarHBondContact O-N 3.35Å; L544-A547 VanDerWaalsContact O-N 3.13Å; E545-A547 PolarHBondContact O-N 2.91Å; A547-V554 VanDerWaalsContact CA-CB 3.47Å; A547-V554 HydrophobicContact CB-CB 3.45Å; A547-V554 VanDerWaalsContact CB-CB 3.45Å; A547-V554 HydrophobicContact CB-CG1 3.72Å; A547-V554 HydrophobicContact CB-CG2 3.84Å; A547-V559 HydrophobicContact CB-CG2 3.66Å |
| 548 | M | 69.6 | Low | 71.6 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -96.8 | -5.3 | -177 | -68.1 | -161.4 | 62.4 | 0 | 0 | 113.7 | L544 E545 S546 M587 K590 L591 T594 | L544-M548 WeakPolarHBondContact O-CG 3.44Å; L544-M548 PolarHBondContact O-N 3.08Å; E545-M548 PolarHBondContact O-N 2.79Å; S546-M548 VanDerWaalsContact C-N 3.29Å; S546-M548 PolarHBondContact O-N 3.21Å; M548-M587 HydrophobicContact CB-CE 3.89Å; M548-M587 HydrophobicContact CE-CE 4.24Å; M548-M587 HydrophobicContact CG-CE 3.72Å; M548-M587 HydrophobicContact SD-CE 3.02Å; M548-M587 WeakPolarHBondContact SD-CE 3.49Å; M548-K590 HydrophobicContact CE-CB 3.93Å; M548-K590 HydrophobicContact CE-CD 3.59Å; M548-K590 HydrophobicContact CE-CG 3.5Å; M548-K590 HydrophobicContact SD-CB 4.24Å; M548-K590 HydrophobicContact SD-CD 4.23Å; M548-K590 HydrophobicContact SD-CG 4.35Å; M548-L591 HydrophobicContact SD-CB 3.85Å; M548-L591 HydrophobicContact SD-CD1 4.47Å; M548-L591 HydrophobicContact SD-CG 4.3Å; M548-T594 WeakPolarHBondContact CE-OG1 3.33Å |
| 549 | Q | 67.4 | Low | 71.6 | Confident | 137 Ų | 137 | 55.4 Ų | 55.4 | 64% | 0.64 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -79.6 | 131.2 | 171.1 | -67.2 | 178.5 | 14.1 | 0 | 0 | 108.7 | E545 D551 | E545-Q549 PolarHBondContact O-N 2.92Å; Q549-D551 PolarHBondContact O-N 2.82Å |
| 550 | S | 51.6 | Low | 71.5 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 79% | 0.79 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -64.3 | -2 | -166.2 | 40.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 551 | D | 50.3 | Low | 71.3 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -101.2 | 77 | 179.2 | -67.3 | -23.9 | 0 | 0 | 0 | 110.2 | Q549 L553 | Q549-D551 PolarHBondContact O-N 2.82Å; D551-L553 VanDerWaalsContact C-N 3.29Å; D551-L553 WeakPolarHBondContact O-CB 3.4Å; D551-L553 WeakPolarHBondContact O-CG 3.36Å; D551-L553 PolarHBondContact O-N 2.83Å |
| 552 | F | 51.8 | Low | 71.4 | Confident | 175 Ų | 175 | 56 Ų | 56 | 77% | 0.768 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 25.4 | 43.4 | 156.7 | -83.8 | -86.8 | 0 | 0 | 0 | 119.9 | N500 | N500-F552 PolarHBondContact ND2-O 2.77Š|
| 553 | L | 52.9 | Low | 71.5 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | trans | -109.6 | -4.9 | -174 | -92.3 | 156.9 | 0 | 0 | 0 | 115.4 | V496 D551 | V496-L553 VanDerWaalsContact CG1-O 3.22Å; V496-L553 WeakPolarHBondContact CG1-O 3.39Å; V496-L553 WeakPolarHBondContact CG2-O 3.38Å; D551-L553 VanDerWaalsContact C-N 3.29Å; D551-L553 WeakPolarHBondContact O-CB 3.4Å; D551-L553 WeakPolarHBondContact O-CG 3.36Å; D551-L553 PolarHBondContact O-N 2.83Å | ||
| 554 | V | 57.5 | Low | 71.7 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -141.9 | 137.2 | 175.4 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | V496 A547 C558 V559 | V496-V554 HydrophobicContact CG2-CB 4.45Å; A547-V554 VanDerWaalsContact CA-CB 3.47Å; A547-V554 HydrophobicContact CB-CB 3.45Å; A547-V554 VanDerWaalsContact CB-CB 3.45Å; A547-V554 HydrophobicContact CB-CG1 3.72Å; A547-V554 HydrophobicContact CB-CG2 3.84Å; V554-C558 HydrophobicContact CG1-CB 3.39Å; V554-V559 HydrophobicContact CG1-CG2 4.39Å |
| 555 | T | 67.5 | Low | 71.8 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -92.9 | 161.1 | -174.2 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | T495 V496 E499 S557 C558 V559 | T495-T555 WeakPolarHBondContact CG2-OG1 3.33Å; V496-T555 HydrophobicContact CB-CG2 4.36Å; V496-T555 HydrophobicContact CG2-CG2 3.88Å; E499-T555 HydrophobicContact CB-CG2 3.57Å; E499-T555 HydrophobicContact CG-CG2 3.78Å; E499-T555 WeakPolarHBondContact OE1-CB 3.45Å; E499-T555 WeakPolarHBondContact OE1-CG2 3.22Å; E499-T555 PolarHBondContact OE1-OG1 2.93Å; E499-T555 WeakPolarHBondContact OE2-CB 3.39Å; E499-T555 WeakPolarHBondContact OE2-CG2 3.49Å; T555-S557 PolarHBondContact O-N 2.77Å; T555-C558 WeakPolarHBondContact O-CB 3.39Å; T555-C558 PolarHBondContact O-N 2.87Å; T555-C558 VanDerWaalsContact O-N 3.08Å; T555-C558 PolarHBondContact OG1-N 3.34Å; T555-C558 PolarHBondContact OG1-SG 2.98Å; T555-V559 PolarHBondContact O-N 2.75Å; T555-V559 VanDerWaalsContact O-N 3.12Å | ||
| 556 | E | 75.5 | Confident | 72.1 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.6 | -37.3 | 173.8 | -65.2 | -171.9 | 157.4 | 0 | 0 | 112 | V559 S560 H596 N597 L600 | E556-V559 PolarHBondContact O-N 3.26Å; E556-S560 WeakPolarHBondContact O-CB 2.94Å; E556-S560 PolarHBondContact O-N 2.92Å; E556-H596 IonicContact OE1-CD2 3.15Å; E556-H596 PolarHBondContact OE1-CD2 2.74Å; E556-H596 IonicContact OE1-NE2 2.7Å; E556-H596 PolarHBondContact OE1-NE2 3.46Å; E556-N597 HydrophobicContact CG-CB 4.44Å; E556-N597 WeakPolarHBondContact OE1-CB 3.33Å; E556-N597 PolarHBondContact OE1-ND2 3.1Å; E556-N597 PolarHBondContact OE2-ND2 3.43Å; E556-L600 HydrophobicContact CB-CD1 3.92Å; E556-L600 HydrophobicContact CG-CD1 4.32Å; E556-L600 WeakPolarHBondContact O-CD1 3.47Å |
| 557 | S | 75.2 | Confident | 72.5 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | E499 T555 V559 S560 T561 | E499-S557 WeakPolarHBondContact OE1-CB 3.31Å; T555-S557 PolarHBondContact O-N 2.77Å; S557-V559 PolarHBondContact O-N 3.35Å; S557-S560 WeakPolarHBondContact O-CB 3.29Å; S557-S560 PolarHBondContact O-N 3.05Å; S557-T561 PolarHBondContact O-N 3.46Å; S557-T561 PolarHBondContact O-OG1 3.3Å; S557-T561 VanDerWaalsContact O-OG1 3.12Å |
| 558 | C | 76 | Confident | 73.1 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 178.9 | -67 | 0 | 0 | 0 | 0 | 112.4 | C492 V554 T555 S560 T561 V562 | C492-C558 VanDerWaalsContact CA-SG 3.51Å; C492-C558 HydrophobicContact CB-CB 4.25Å; C492-C558 PolarHBondContact O-SG 3.35Å; V554-C558 HydrophobicContact CG1-CB 3.39Å; T555-C558 WeakPolarHBondContact O-CB 3.39Å; T555-C558 PolarHBondContact O-N 2.87Å; T555-C558 VanDerWaalsContact O-N 3.08Å; T555-C558 PolarHBondContact OG1-N 3.34Å; T555-C558 PolarHBondContact OG1-SG 2.98Å; C558-S560 VanDerWaalsContact C-N 3.32Å; C558-S560 PolarHBondContact O-N 2.81Å; C558-T561 PolarHBondContact O-N 3.3Å; C558-V562 WeakPolarHBondContact O-CG2 3.45Å; C558-V562 PolarHBondContact O-N 3.14Å |
| 559 | V | 81.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | L544 A547 V554 T555 E556 S557 V562 L563 L591 Y595 L600 | L544-V559 HydrophobicContact CD2-CG1 4.28Å; A547-V559 HydrophobicContact CB-CG2 3.66Å; V554-V559 HydrophobicContact CG1-CG2 4.39Å; T555-V559 PolarHBondContact O-N 2.75Å; T555-V559 VanDerWaalsContact O-N 3.12Å; E556-V559 PolarHBondContact O-N 3.26Å; S557-V559 PolarHBondContact O-N 3.35Å; V559-V562 PolarHBondContact O-N 3.04Å; V559-L563 HydrophobicContact CG1-CD1 3.94Å; V559-L563 HydrophobicContact CG1-CG 4.32Å; V559-L563 WeakPolarHBondContact O-CB 3.47Å; V559-L563 VanDerWaalsContact O-CG 3.28Å; V559-L563 WeakPolarHBondContact O-CG 2.99Å; V559-L563 PolarHBondContact O-N 3.49Å; V559-L591 HydrophobicContact CG1-CD1 3.77Å; V559-L591 HydrophobicContact CG1-CD2 4.27Å; V559-Y595 HydrophobicContact CG2-CE2 4.15Å; V559-Y595 WeakPolarHBondContact CG2-OH 3.28Å; V559-L600 HydrophobicContact CB-CD1 4.12Å; V559-L600 HydrophobicContact CG1-CD1 4.03Å |
| 560 | S | 83.4 | Confident | 74.2 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 175.1 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | E556 S557 C558 V562 L563 G564 | E556-S560 WeakPolarHBondContact O-CB 2.94Å; E556-S560 PolarHBondContact O-N 2.92Å; S557-S560 WeakPolarHBondContact O-CB 3.29Å; S557-S560 PolarHBondContact O-N 3.05Å; C558-S560 VanDerWaalsContact C-N 3.32Å; C558-S560 PolarHBondContact O-N 2.81Å; S560-V562 PolarHBondContact O-N 3.11Å; S560-L563 PolarHBondContact O-N 3.11Å; S560-G564 PolarHBondContact O-N 2.97Å |
| 561 | T | 83.5 | Confident | 75.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | S557 C558 G564 I565 | S557-T561 PolarHBondContact O-N 3.46Å; S557-T561 PolarHBondContact O-OG1 3.3Å; S557-T561 VanDerWaalsContact O-OG1 3.12Å; C558-T561 PolarHBondContact O-N 3.3Å; T561-G564 PolarHBondContact O-N 3.33Å; T561-I565 HydrophobicContact CG2-CD1 4.01Å; T561-I565 WeakPolarHBondContact O-CG1 3.46Å; T561-I565 PolarHBondContact O-N 3.18Å |
| 562 | V | 86 | Confident | 76.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 179.7 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | C540 L543 L544 C558 V559 S560 I565 L566 | C540-V562 HydrophobicContact CB-CG1 3.75Å; L543-V562 HydrophobicContact CB-CG2 4.11Å; L543-V562 HydrophobicContact CD1-CG2 3.91Å; L544-V562 HydrophobicContact CD1-CG1 4.16Å; L544-V562 HydrophobicContact CD2-CB 4.14Å; L544-V562 HydrophobicContact CD2-CG1 3.8Å; L544-V562 HydrophobicContact CG-CG1 3.76Å; C558-V562 WeakPolarHBondContact O-CG2 3.45Å; C558-V562 PolarHBondContact O-N 3.14Å; V559-V562 PolarHBondContact O-N 3.04Å; S560-V562 PolarHBondContact O-N 3.11Å; V562-I565 PolarHBondContact O-N 3.25Å; V562-L566 HydrophobicContact CG1-CD1 4.2Å; V562-L566 WeakPolarHBondContact O-CG 3.46Å; V562-L566 PolarHBondContact O-N 2.91Å |
| 563 | L | 84.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175 | -71.7 | 175.1 | 0 | 0 | 0 | 111.8 | V559 S560 I565 L566 E567 L591 L600 K603 A604 | V559-L563 HydrophobicContact CG1-CD1 3.94Å; V559-L563 HydrophobicContact CG1-CG 4.32Å; V559-L563 WeakPolarHBondContact O-CB 3.47Å; V559-L563 VanDerWaalsContact O-CG 3.28Å; V559-L563 WeakPolarHBondContact O-CG 2.99Å; V559-L563 PolarHBondContact O-N 3.49Å; S560-L563 PolarHBondContact O-N 3.11Å; L563-I565 PolarHBondContact O-N 3.12Å; L563-L566 PolarHBondContact O-N 3.44Å; L563-E567 PolarHBondContact O-N 2.85Å; L563-L591 HydrophobicContact CD1-CD2 4.35Å; L563-L600 HydrophobicContact CD1-CD2 4.36Å; L563-K603 HydrophobicContact CD1-CB 4.3Å; L563-A604 HydrophobicContact CD1-CB 4.38Å; L563-A604 HydrophobicContact CD2-CB 4.33Å |
| 564 | G | 84.8 | Confident | 77.8 | Confident | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S560 T561 L566 E567 V568 | S560-G564 PolarHBondContact O-N 2.97Å; T561-G564 PolarHBondContact O-N 3.33Å; G564-L566 VanDerWaalsContact C-N 3.33Å; G564-L566 PolarHBondContact O-N 2.97Å; G564-E567 PolarHBondContact O-N 3.26Å; G564-V568 WeakPolarHBondContact O-CG2 3.41Å; G564-V568 PolarHBondContact O-N 3.45Å; G564-V568 VanDerWaalsContact O-N 3.17Å |
| 565 | I | 85.1 | Confident | 77.8 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 175.2 | -68.4 | 165 | 0 | 0 | 0 | 111 | F484 L488 L536 T561 V562 L563 V568 A569 | F484-I565 HydrophobicContact CZ-CD1 4.18Å; L488-I565 HydrophobicContact CD1-CD1 3.8Å; L488-I565 HydrophobicContact CD2-CD1 3.9Å; L536-I565 HydrophobicContact CD1-CG2 3.81Å; L536-I565 HydrophobicContact CD2-CG2 4.34Å; L536-I565 HydrophobicContact CG-CG2 4.47Å; T561-I565 HydrophobicContact CG2-CD1 4.01Å; T561-I565 WeakPolarHBondContact O-CG1 3.46Å; T561-I565 PolarHBondContact O-N 3.18Å; V562-I565 PolarHBondContact O-N 3.25Å; L563-I565 PolarHBondContact O-N 3.12Å; I565-V568 PolarHBondContact O-N 3.4Å; I565-A569 WeakPolarHBondContact O-CB 3.34Å; I565-A569 PolarHBondContact O-N 2.83Å |
| 566 | L | 84.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.4 | -71.4 | 169.8 | 0 | 0 | 0 | 112.1 | L537 C540 L544 V562 L563 G564 A569 I570 I584 L607 | L537-L566 HydrophobicContact CD2-CD2 3.63Å; C540-L566 HydrophobicContact CB-CD1 4.25Å; C540-L566 HydrophobicContact CB-CD2 3.82Å; C540-L566 HydrophobicContact CB-CG 4.14Å; L544-L566 HydrophobicContact CD1-CD1 4.07Å; V562-L566 HydrophobicContact CG1-CD1 4.2Å; V562-L566 WeakPolarHBondContact O-CG 3.46Å; V562-L566 PolarHBondContact O-N 2.91Å; L563-L566 PolarHBondContact O-N 3.44Å; G564-L566 VanDerWaalsContact C-N 3.33Å; G564-L566 PolarHBondContact O-N 2.97Å; L566-A569 WeakPolarHBondContact O-CB 3.43Å; L566-A569 PolarHBondContact O-N 3.28Å; L566-I570 VanDerWaalsContact O-CG1 3.32Å; L566-I570 WeakPolarHBondContact O-CG1 3.5Å; L566-I570 PolarHBondContact O-N 2.81Å; L566-I584 HydrophobicContact CD1-CD1 3.64Å; L566-I584 HydrophobicContact CD2-CD1 3.72Å; L566-I584 HydrophobicContact CG-CD1 4.33Å; L566-L607 HydrophobicContact CB-CD1 3.68Å; L566-L607 HydrophobicContact CB-CD2 4.49Å |
| 567 | E | 83 | Confident | 76.3 | Confident | 96 Ų | 96 | 39.2 Ų | 39.2 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 177.3 | -171.5 | 177 | -173.9 | 0 | 0 | 111.7 | L563 G564 I570 S571 L607 | L563-E567 PolarHBondContact O-N 2.85Å; G564-E567 PolarHBondContact O-N 3.26Å; E567-I570 PolarHBondContact O-N 3.26Å; E567-S571 PolarHBondContact O-N 2.91Å; E567-S571 PolarHBondContact O-OG 3.01Å; E567-S571 VanDerWaalsContact O-OG 3.11Å; E567-L607 HydrophobicContact CB-CD1 4.03Å |
| 568 | V | 83.1 | Confident | 75.6 | Confident | 60 Ų | 60 | 37 Ų | 37 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 174 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | F530 G564 I565 I570 S571 F572 | F530-V568 HydrophobicContact CE1-CB 4.42Å; F530-V568 HydrophobicContact CE1-CG1 4.15Å; F530-V568 HydrophobicContact CE2-CG1 3.7Å; F530-V568 HydrophobicContact CZ-CB 3.99Å; F530-V568 HydrophobicContact CZ-CG1 3.38Å; G564-V568 WeakPolarHBondContact O-CG2 3.41Å; G564-V568 PolarHBondContact O-N 3.45Å; G564-V568 VanDerWaalsContact O-N 3.17Å; I565-V568 PolarHBondContact O-N 3.4Å; V568-I570 VanDerWaalsContact C-N 3.34Å; V568-I570 PolarHBondContact O-N 3.22Å; V568-S571 VanDerWaalsContact O-CB 3.3Å; V568-S571 WeakPolarHBondContact O-CB 3.33Å; V568-S571 PolarHBondContact O-N 3.21Å; V568-F572 HydrophobicContact CG1-CD2 3.89Å; V568-F572 HydrophobicContact CG1-CE2 3.9Å; V568-F572 WeakPolarHBondContact O-CD2 3.49Å; V568-F572 PolarHBondContact O-N 3.36Å |
| 569 | A | 82.4 | Confident | 74.7 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F530 L536 I565 L566 S571 F572 S573 F581 | F530-A569 HydrophobicContact CD1-CB 3.83Å; F530-A569 HydrophobicContact CE1-CB 3.91Å; L536-A569 HydrophobicContact CD2-CB 3.66Å; I565-A569 WeakPolarHBondContact O-CB 3.34Å; I565-A569 PolarHBondContact O-N 2.83Å; L566-A569 WeakPolarHBondContact O-CB 3.43Å; L566-A569 PolarHBondContact O-N 3.28Å; A569-S571 PolarHBondContact O-N 2.96Å; A569-F572 PolarHBondContact O-N 2.78Å; A569-S573 PolarHBondContact O-N 3.3Å; A569-S573 VanDerWaalsContact O-N 3.09Å; A569-F581 HydrophobicContact CB-CE1 4.32Å; A569-F581 HydrophobicContact CB-CZ 4.03Å |
| 570 | I | 78 | Confident | 74 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.9 | -67.5 | 161.6 | 0 | 0 | 0 | 109.8 | L566 E567 V568 F572 S573 F581 L607 N610 I611 R614 | L566-I570 VanDerWaalsContact O-CG1 3.32Å; L566-I570 WeakPolarHBondContact O-CG1 3.5Å; L566-I570 PolarHBondContact O-N 2.81Å; E567-I570 PolarHBondContact O-N 3.26Å; V568-I570 VanDerWaalsContact C-N 3.34Å; V568-I570 PolarHBondContact O-N 3.22Å; I570-F572 VanDerWaalsContact C-N 3.28Å; I570-F572 PolarHBondContact O-N 3.33Å; I570-S573 PolarHBondContact O-N 3.07Å; I570-S573 PolarHBondContact O-OG 3.06Å; I570-F581 HydrophobicContact CB-CE1 4.34Å; I570-F581 HydrophobicContact CB-CZ 4.37Å; I570-F581 HydrophobicContact CD1-CD1 4.27Å; I570-F581 HydrophobicContact CD1-CE1 4.23Å; I570-F581 HydrophobicContact CG1-CD1 3.6Å; I570-F581 HydrophobicContact CG1-CE1 3.26Å; I570-F581 HydrophobicContact CG1-CE2 4.39Å; I570-F581 HydrophobicContact CG1-CG 4.3Å; I570-F581 HydrophobicContact CG1-CZ 3.72Å; I570-L607 HydrophobicContact CD1-CD1 3.94Å; I570-L607 HydrophobicContact CD1-CD2 3.97Å; I570-L607 HydrophobicContact CD1-CG 3.58Å; I570-N610 HydrophobicContact CG2-CB 4.45Å; I570-I611 HydrophobicContact CD1-CD1 4.13Å; I570-I611 HydrophobicContact CD1-CG1 3.6Å; I570-I611 HydrophobicContact CG1-CG1 4.23Å; I570-R614 HydrophobicContact CG2-CG 4.5Å; I570-R614 PolarHBondContact O-NH1 3.28Å; I570-R614 PolarHBondContact O-NH2 3.45Å |
| 571 | S | 78.4 | Confident | 73.5 | Confident | 75 Ų | 75 | 37.6 Ų | 37.6 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -35.4 | -179.5 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | E567 V568 A569 R614 | E567-S571 PolarHBondContact O-N 2.91Å; E567-S571 PolarHBondContact O-OG 3.01Å; E567-S571 VanDerWaalsContact O-OG 3.11Å; V568-S571 VanDerWaalsContact O-CB 3.3Å; V568-S571 WeakPolarHBondContact O-CB 3.33Å; V568-S571 PolarHBondContact O-N 3.21Å; A569-S571 PolarHBondContact O-N 2.96Å; S571-R614 PolarHBondContact O-NH2 3.03Å |
| 572 | F | 71.9 | Confident | 72.7 | Confident | 120 Ų | 120 | 36.7 Ų | 36.7 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -85.6 | -15.2 | 179.4 | -85.7 | -92.2 | 0 | 0 | 0 | 115 | F530 V568 A569 I570 | F530-F572 HydrophobicContact CB-CB 3.99Å; F530-F572 HydrophobicContact CB-CG 4.34Å; F530-F572 HydrophobicContact CD2-CB 4.37Å; F530-F572 HydrophobicContact CD2-CD1 4.32Å; F530-F572 AromaticContact CD2-CD2 3.89Å; F530-F572 HydrophobicContact CD2-CD2 3.89Å; F530-F572 HydrophobicContact CD2-CE2 4.23Å; F530-F572 AromaticContact CD2-CG 3.94Å; F530-F572 HydrophobicContact CD2-CG 3.94Å; F530-F572 HydrophobicContact CE2-CD2 4.12Å; F530-F572 HydrophobicContact CE2-CE2 4.21Å; F530-F572 HydrophobicContact CG-CB 4.19Å; F530-F572 HydrophobicContact CG-CD2 4.46Å; F530-F572 HydrophobicContact CG-CG 4.26Å; V568-F572 HydrophobicContact CG1-CD2 3.89Å; V568-F572 HydrophobicContact CG1-CE2 3.9Å; V568-F572 WeakPolarHBondContact O-CD2 3.49Å; V568-F572 PolarHBondContact O-N 3.36Å; A569-F572 PolarHBondContact O-N 2.78Å; I570-F572 VanDerWaalsContact C-N 3.28Å; I570-F572 PolarHBondContact O-N 3.33Å |
| 573 | S | 68.3 | Low | 71.9 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | trans | -69.6 | 142.8 | -174.4 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | A569 I570 R614 | A569-S573 PolarHBondContact O-N 3.3Å; A569-S573 VanDerWaalsContact O-N 3.09Å; I570-S573 PolarHBondContact O-N 3.07Å; I570-S573 PolarHBondContact O-OG 3.06Å; S573-R614 PolarHBondContact O-NH1 3.11Å; S573-R614 PolarHBondContact OG-NH1 3.26Å | ||
| 574 | G | 63.1 | Low | 71.5 | Confident | 39 Ų | 39 | 40 Ų | 40 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | trans | -82.6 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D576 D577 | G574-D576 PolarHBondContact O-N 3.23Å; G574-D577 PolarHBondContact N-OD2 2.92Å; G574-D577 PolarHBondContact O-N 3.17Å; G574-D577 VanDerWaalsContact O-N 3.14Å | ||
| 575 | A | 56.4 | Low | 71.3 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58.5 | -37.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D577 A578 | A575-D577 VanDerWaalsContact C-N 3.27Å; A575-D577 PolarHBondContact O-N 3.47Å; A575-A578 WeakPolarHBondContact O-CB 3.41Å; A575-A578 PolarHBondContact O-N 3.39Å |
| 576 | D | 53.7 | Low | 71 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -66.9 | -25.9 | 178.2 | -62.4 | -32.7 | 0 | 0 | 0 | 112.9 | G574 | G574-D576 PolarHBondContact O-N 3.23Š|
| 577 | D | 59.8 | Low | 70.7 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -84.7 | -11.8 | -179.7 | -79.7 | -52.3 | 0 | 0 | 0 | 113.6 | S533 G574 A575 Y579 S580 F581 | S533-D577 WeakPolarHBondContact CB-OD1 3.43Å; S533-D577 PolarHBondContact OG-OD1 3.42Å; G574-D577 PolarHBondContact N-OD2 2.92Å; G574-D577 PolarHBondContact O-N 3.17Å; G574-D577 VanDerWaalsContact O-N 3.14Å; A575-D577 VanDerWaalsContact C-N 3.27Å; A575-D577 PolarHBondContact O-N 3.47Å; D577-Y579 PolarHBondContact O-N 2.98Å; D577-Y579 VanDerWaalsContact O-N 3.15Å; D577-S580 WeakPolarHBondContact O-CB 3.44Å; D577-S580 PolarHBondContact O-N 2.88Å; D577-S580 PolarHBondContact O-OG 3.37Å; D577-F581 WeakPolarHBondContact O-CD2 3.35Å |
| 578 | A | 59.7 | Low | 70.7 | Confident | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -35.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A575 S580 F581 | A575-A578 WeakPolarHBondContact O-CB 3.41Å; A575-A578 PolarHBondContact O-N 3.39Å; A578-S580 VanDerWaalsContact C-N 3.35Å; A578-S580 PolarHBondContact O-N 3.16Å; A578-F581 PolarHBondContact O-N 3.17Å |
| 579 | Y | 57.3 | Low | 70.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.8 | -26.4 | 178.1 | -165.3 | -94.1 | 0 | 0 | 0 | 113.5 | D577 F581 C582 H655 | D577-Y579 PolarHBondContact O-N 2.98Å; D577-Y579 VanDerWaalsContact O-N 3.15Å; Y579-F581 PolarHBondContact O-N 3.14Å; Y579-C582 HydrophobicContact CD2-CB 4.12Å; Y579-C582 HydrophobicContact CE2-CB 3.69Å; Y579-C582 VanDerWaalsContact O-CB 3.27Å; Y579-C582 WeakPolarHBondContact O-CB 3.41Å; Y579-C582 PolarHBondContact O-N 3.21Å; Y579-C582 VanDerWaalsContact O-N 3.07Å; Y579-H655 HydrophobicContact CD1-CB 3.91Å; Y579-H655 HydrophobicContact CD2-CB 4.2Å; Y579-H655 AromaticContact CD2-CD2 3.6Å; Y579-H655 AromaticContact CD2-CG 3.89Å; Y579-H655 AromaticContact CD2-NE2 3.97Å; Y579-H655 HydrophobicContact CE1-CB 3.43Å; Y579-H655 VanDerWaalsContact CE1-CB 3.43Å; Y579-H655 AromaticContact CE1-CG 3.71Å; Y579-H655 AromaticContact CE1-ND1 3.94Å; Y579-H655 HydrophobicContact CE2-CB 3.79Å; Y579-H655 AromaticContact CE2-CD2 3.08Å; Y579-H655 WeakPolarHBondContact CE2-CD2 3.48Å; Y579-H655 AromaticContact CE2-CE1 3.24Å; Y579-H655 WeakPolarHBondContact CE2-CE1 3.27Å; Y579-H655 AromaticContact CE2-CG 3.16Å; Y579-H655 AromaticContact CE2-ND1 3.31Å; Y579-H655 VanDerWaalsContact CE2-ND1 3.31Å; Y579-H655 WeakPolarHBondContact CE2-ND1 3.33Å; Y579-H655 AromaticContact CE2-NE2 3.14Å; Y579-H655 WeakPolarHBondContact CE2-NE2 3.17Å; Y579-H655 HydrophobicContact CG-CB 4.3Å; Y579-H655 AromaticContact CZ-CD2 3.57Å; Y579-H655 AromaticContact CZ-CE1 3.39Å; Y579-H655 AromaticContact CZ-CG 3.07Å; Y579-H655 AromaticContact CZ-ND1 3.01Å; Y579-H655 AromaticContact CZ-NE2 3.75Å; Y579-H655 PolarHBondContact OH-CE1 3.29Å; Y579-H655 VanDerWaalsContact OH-CG 3.31Å; Y579-H655 PolarHBondContact OH-ND1 3.07Å |
| 580 | S | 66.4 | Low | 70.6 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 174 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | L537 D577 A578 C582 R583 | L537-S580 VanDerWaalsContact CD1-CB 3.45Å; L537-S580 WeakPolarHBondContact CD1-O 3.26Å; D577-S580 WeakPolarHBondContact O-CB 3.44Å; D577-S580 PolarHBondContact O-N 2.88Å; D577-S580 PolarHBondContact O-OG 3.37Å; A578-S580 VanDerWaalsContact C-N 3.35Å; A578-S580 PolarHBondContact O-N 3.16Å; S580-C582 VanDerWaalsContact C-N 3.31Å; S580-C582 PolarHBondContact O-N 3.45Å; S580-R583 WeakPolarHBondContact O-CB 3.37Å; S580-R583 PolarHBondContact O-N 2.88Å |
| 581 | F | 72.4 | Confident | 70.8 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -22.2 | 177.4 | -70.8 | -87 | 0 | 0 | 0 | 113.5 | L537 A569 I570 D577 A578 Y579 R583 I584 R585 I611 | L537-F581 HydrophobicContact CD2-CD1 3.75Å; L537-F581 HydrophobicContact CD2-CE1 3.65Å; L537-F581 HydrophobicContact CD2-CG 4.47Å; L537-F581 HydrophobicContact CD2-CZ 4.3Å; A569-F581 HydrophobicContact CB-CE1 4.32Å; A569-F581 HydrophobicContact CB-CZ 4.03Å; I570-F581 HydrophobicContact CB-CE1 4.34Å; I570-F581 HydrophobicContact CB-CZ 4.37Å; I570-F581 HydrophobicContact CD1-CD1 4.27Å; I570-F581 HydrophobicContact CD1-CE1 4.23Å; I570-F581 HydrophobicContact CG1-CD1 3.6Å; I570-F581 HydrophobicContact CG1-CE1 3.26Å; I570-F581 HydrophobicContact CG1-CE2 4.39Å; I570-F581 HydrophobicContact CG1-CG 4.3Å; I570-F581 HydrophobicContact CG1-CZ 3.72Å; D577-F581 WeakPolarHBondContact O-CD2 3.35Å; A578-F581 PolarHBondContact O-N 3.17Å; Y579-F581 PolarHBondContact O-N 3.14Å; F581-R583 PolarHBondContact O-N 2.87Å; F581-I584 HydrophobicContact CD1-CG2 4.43Å; F581-I584 WeakPolarHBondContact O-CG2 3.33Å; F581-I584 PolarHBondContact O-N 3Å; F581-I584 VanDerWaalsContact O-N 3.12Å; F581-R585 PolarHBondContact O-N 3.44Å; F581-I611 HydrophobicContact CB-CD1 4.27Å; F581-I611 HydrophobicContact CB-CG1 4.21Å; F581-I611 HydrophobicContact CB-CG2 4.12Å; F581-I611 HydrophobicContact CD1-CD1 4.45Å; F581-I611 HydrophobicContact CD1-CG1 4.48Å |
| 582 | C | 67.8 | Low | 71 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -25.6 | 170.9 | -64 | 0 | 0 | 0 | 0 | 112.3 | Y579 S580 P586 | Y579-C582 HydrophobicContact CD2-CB 4.12Å; Y579-C582 HydrophobicContact CE2-CB 3.69Å; Y579-C582 VanDerWaalsContact O-CB 3.27Å; Y579-C582 WeakPolarHBondContact O-CB 3.41Å; Y579-C582 PolarHBondContact O-N 3.21Å; Y579-C582 VanDerWaalsContact O-N 3.07Å; S580-C582 VanDerWaalsContact C-N 3.31Å; S580-C582 PolarHBondContact O-N 3.45Å; C582-P586 WeakPolarHBondContact O-CD 3.48Å |
| 583 | R | 67.8 | Low | 71.5 | Confident | 75 Ų | 75 | 42.4 Ų | 42.4 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.6 | 177.3 | -62 | 179.9 | 79.7 | -148.3 | 4.6 | 113.1 | D538 S580 F581 | D538-R583 IonicContact OD1-CZ 2.64Å; D538-R583 IonicContact OD1-NH1 3.13Å; D538-R583 PolarHBondContact OD1-NH1 2.92Å; D538-R583 IonicContact OD1-NH2 2.78Å; D538-R583 IonicContact OD2-NH1 2.78Å; D538-R583 PolarHBondContact OD2-NH1 3.5Å; D538-R583 VanDerWaalsContact OD2-NH1 3.17Å; S580-R583 WeakPolarHBondContact O-CB 3.37Å; S580-R583 PolarHBondContact O-N 2.88Å; F581-R583 PolarHBondContact O-N 2.87Å |
| 584 | I | 77.9 | Confident | 72 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -21.7 | 179.1 | -154.9 | 165.8 | 0 | 0 | 0 | 112.1 | L537 C540 R541 L544 L566 F581 M587 V588 | L537-I584 HydrophobicContact CD2-CB 4.42Å; L537-I584 HydrophobicContact CD2-CD1 4.33Å; L537-I584 HydrophobicContact CD2-CG2 4.03Å; C540-I584 HydrophobicContact CB-CD1 3.82Å; R541-I584 HydrophobicContact CB-CD1 4.27Å; R541-I584 HydrophobicContact CB-CG1 4.23Å; L544-I584 HydrophobicContact CD1-CD1 4.31Å; L566-I584 HydrophobicContact CD1-CD1 3.64Å; L566-I584 HydrophobicContact CD2-CD1 3.72Å; L566-I584 HydrophobicContact CG-CD1 4.33Å; F581-I584 HydrophobicContact CD1-CG2 4.43Å; F581-I584 WeakPolarHBondContact O-CG2 3.33Å; F581-I584 PolarHBondContact O-N 3Å; F581-I584 VanDerWaalsContact O-N 3.12Å; I584-M587 HydrophobicContact CG1-CB 4.49Å; I584-M587 WeakPolarHBondContact O-CA 3.25Å; I584-M587 VanDerWaalsContact O-CB 3.24Å; I584-M587 WeakPolarHBondContact O-CB 3.29Å; I584-M587 PolarHBondContact O-N 3.46Å; I584-V588 HydrophobicContact CG1-CG2 4.2Å; I584-V588 HydrophobicContact CG2-CG2 4.31Å; I584-V588 PolarHBondContact O-N 3.2Å; I584-V588 VanDerWaalsContact O-N 3.08Å |
| 585 | R | 79.5 | Confident | 72.7 | Confident | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -45.4 | -52.1 | -179.7 | 177.7 | -176.1 | -178.6 | 144.1 | 24.3 | 114.1 | F581 M587 V588 E589 L608 D612 | F581-R585 PolarHBondContact O-N 3.44Å; R585-M587 PolarHBondContact O-N 2.85Å; R585-M587 VanDerWaalsContact O-N 3.13Å; R585-V588 PolarHBondContact O-N 3.18Å; R585-V588 VanDerWaalsContact O-N 3.09Å; R585-E589 HydrophobicContact CG-CG 4.21Å; R585-E589 WeakPolarHBondContact CG-OE1 3.42Å; R585-E589 IonicContact CZ-OE1 3.62Å; R585-E589 IonicContact NE-OE1 3.65Å; R585-E589 PolarHBondContact NE-OE1 3.36Å; R585-E589 IonicContact NH2-OE1 2.79Å; R585-E589 WeakPolarHBondContact O-CB 3.49Å; R585-E589 WeakPolarHBondContact O-CG 3.49Å; R585-E589 PolarHBondContact O-N 2.95Å; R585-L608 HydrophobicContact CG-CD2 3.9Å; R585-D612 IonicContact CZ-OD1 3.4Å; R585-D612 IonicContact CZ-OD2 2.62Å; R585-D612 IonicContact NH1-OD1 2.59Å; R585-D612 PolarHBondContact NH1-OD1 2.81Å; R585-D612 IonicContact NH2-OD1 3.6Å; R585-D612 PolarHBondContact NH2-OD1 3.48Å; R585-D612 IonicContact NH2-OD2 2.72Å; R585-D612 PolarHBondContact NH2-OD2 3.5Å; R585-D612 VanDerWaalsContact NH2-OD2 3.08Å |
| 586 | P | 79.7 | Confident | 73.6 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -31.8 | -179 | -22.8 | 33.1 | 0 | 0 | 0 | 112.9 | C582 K590 | C582-P586 WeakPolarHBondContact O-CD 3.48Å; P586-K590 WeakPolarHBondContact O-CB 3.34Å; P586-K590 PolarHBondContact O-N 3.26Å |
| 587 | M | 77.9 | Confident | 74.8 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.5 | -44.4 | 178.7 | -158.6 | 66.4 | -124.6 | 0 | 0 | 111 | L544 E545 M548 I584 R585 K590 L591 | L544-M587 HydrophobicContact CB-CG 4.02Å; E545-M587 HydrophobicContact CB-SD 4.36Å; E545-M587 HydrophobicContact CG-CE 4.3Å; E545-M587 HydrophobicContact CG-CG 4.23Å; E545-M587 HydrophobicContact CG-SD 3.36Å; E545-M587 WeakPolarHBondContact CG-SD 3.39Å; M548-M587 HydrophobicContact CB-CE 3.89Å; M548-M587 HydrophobicContact CE-CE 4.24Å; M548-M587 HydrophobicContact CG-CE 3.72Å; M548-M587 HydrophobicContact SD-CE 3.02Å; M548-M587 WeakPolarHBondContact SD-CE 3.49Å; I584-M587 HydrophobicContact CG1-CB 4.49Å; I584-M587 WeakPolarHBondContact O-CA 3.25Å; I584-M587 VanDerWaalsContact O-CB 3.24Å; I584-M587 WeakPolarHBondContact O-CB 3.29Å; I584-M587 PolarHBondContact O-N 3.46Å; R585-M587 PolarHBondContact O-N 2.85Å; R585-M587 VanDerWaalsContact O-N 3.13Å; M587-K590 HydrophobicContact CE-CD 4.11Å; M587-K590 PolarHBondContact O-N 3.17Å; M587-L591 WeakPolarHBondContact O-CB 3.17Å; M587-L591 PolarHBondContact O-N 2.93Å |
| 588 | V | 83.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177.2 | -176 | 0 | 0 | 0 | 0 | 110.8 | L544 I584 R585 L591 A592 A604 L607 L608 | L544-V588 HydrophobicContact CD1-CG2 4.48Å; I584-V588 HydrophobicContact CG1-CG2 4.2Å; I584-V588 HydrophobicContact CG2-CG2 4.31Å; I584-V588 PolarHBondContact O-N 3.2Å; I584-V588 VanDerWaalsContact O-N 3.08Å; R585-V588 PolarHBondContact O-N 3.18Å; R585-V588 VanDerWaalsContact O-N 3.09Å; V588-L591 PolarHBondContact O-N 2.97Å; V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.34Å; V588-A592 PolarHBondContact O-N 2.93Å; V588-A604 HydrophobicContact CG1-CB 3.88Å; V588-A604 WeakPolarHBondContact CG1-O 3.39Å; V588-L607 HydrophobicContact CG1-CD2 3.86Å; V588-L607 HydrophobicContact CG2-CD2 4.05Å; V588-L608 HydrophobicContact CB-CD2 3.95Å; V588-L608 HydrophobicContact CB-CG 4.32Å; V588-L608 HydrophobicContact CG1-CD1 4.22Å; V588-L608 HydrophobicContact CG1-CD2 3.93Å; V588-L608 HydrophobicContact CG1-CG 3.75Å |
| 589 | E | 83.6 | Confident | 76.9 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 172 | -75.4 | 174.2 | 173.5 | 0 | 0 | 111.6 | R585 L591 A592 A593 L608 | R585-E589 HydrophobicContact CG-CG 4.21Å; R585-E589 WeakPolarHBondContact CG-OE1 3.42Å; R585-E589 IonicContact CZ-OE1 3.62Å; R585-E589 IonicContact NE-OE1 3.65Å; R585-E589 PolarHBondContact NE-OE1 3.36Å; R585-E589 IonicContact NH2-OE1 2.79Å; R585-E589 WeakPolarHBondContact O-CB 3.49Å; R585-E589 WeakPolarHBondContact O-CG 3.49Å; R585-E589 PolarHBondContact O-N 2.95Å; E589-L591 VanDerWaalsContact C-N 3.28Å; E589-L591 PolarHBondContact O-N 3.16Å; E589-A592 PolarHBondContact O-N 3.41Å; E589-A593 WeakPolarHBondContact O-CB 3.45Å; E589-A593 PolarHBondContact O-N 3.49Å; E589-L608 HydrophobicContact CB-CD1 4.35Å; E589-L608 HydrophobicContact CG-CD1 3.73Å; E589-L608 HydrophobicContact CG-CD2 3.7Å; E589-L608 HydrophobicContact CG-CG 4.38Å |
| 590 | K | 80.4 | Confident | 78.1 | Confident | 114 Ų | 114 | 50 Ų | 50 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.9 | -158.9 | -169.3 | 174.6 | -176.6 | 0 | 110.7 | M548 P586 M587 A593 T594 | M548-K590 HydrophobicContact CE-CB 3.93Å; M548-K590 HydrophobicContact CE-CD 3.59Å; M548-K590 HydrophobicContact CE-CG 3.5Å; M548-K590 HydrophobicContact SD-CB 4.24Å; M548-K590 HydrophobicContact SD-CD 4.23Å; M548-K590 HydrophobicContact SD-CG 4.35Å; P586-K590 WeakPolarHBondContact O-CB 3.34Å; P586-K590 PolarHBondContact O-N 3.26Å; M587-K590 HydrophobicContact CE-CD 4.11Å; M587-K590 PolarHBondContact O-N 3.17Å; K590-A593 PolarHBondContact O-N 2.9Å; K590-T594 WeakPolarHBondContact O-CB 3.29Å; K590-T594 PolarHBondContact O-N 3.04Å; K590-T594 PolarHBondContact O-OG1 3.49Å |
| 591 | L | 81.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 177.7 | -162.8 | 151.5 | 0 | 0 | 0 | 111 | L544 M548 V559 L563 M587 V588 E589 A593 T594 Y595 A604 | L544-L591 HydrophobicContact CD2-CD1 3.76Å; M548-L591 HydrophobicContact SD-CB 3.85Å; M548-L591 HydrophobicContact SD-CD1 4.47Å; M548-L591 HydrophobicContact SD-CG 4.3Å; V559-L591 HydrophobicContact CG1-CD1 3.77Å; V559-L591 HydrophobicContact CG1-CD2 4.27Å; L563-L591 HydrophobicContact CD1-CD2 4.35Å; M587-L591 WeakPolarHBondContact O-CB 3.17Å; M587-L591 PolarHBondContact O-N 2.93Å; V588-L591 PolarHBondContact O-N 2.97Å; E589-L591 VanDerWaalsContact C-N 3.28Å; E589-L591 PolarHBondContact O-N 3.16Å; L591-A593 PolarHBondContact O-N 3.5Å; L591-T594 PolarHBondContact O-N 3.37Å; L591-Y595 HydrophobicContact CD2-CG 4.11Å; L591-Y595 HydrophobicContact CG-CD2 4.1Å; L591-Y595 HydrophobicContact CG-CG 4.09Å; L591-Y595 WeakPolarHBondContact O-CB 3.19Å; L591-Y595 PolarHBondContact O-N 2.85Å; L591-A604 HydrophobicContact CD2-CB 3.79Å |
| 592 | A | 83.6 | Confident | 79.4 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V588 E589 R601 A604 L608 | V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.34Å; V588-A592 PolarHBondContact O-N 2.93Å; E589-A592 PolarHBondContact O-N 3.41Å; A592-R601 WeakPolarHBondContact O-CD 3.16Å; A592-R601 WeakPolarHBondContact O-CG 3.34Å; A592-A604 HydrophobicContact CB-CB 3.87Å; A592-L608 HydrophobicContact CB-CD1 4.02Å |
| 593 | A | 81.9 | Confident | 80.2 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -80.9 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E589 K590 L591 | E589-A593 WeakPolarHBondContact O-CB 3.45Å; E589-A593 PolarHBondContact O-N 3.49Å; K590-A593 PolarHBondContact O-N 2.9Å; L591-A593 PolarHBondContact O-N 3.5Å |
| 594 | T | 78.7 | Confident | 81 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 57% | 0.571 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -118.6 | -8.5 | -161 | 62.8 | 0 | 0 | 0 | 0 | 115.4 | M548 K590 L591 | M548-T594 WeakPolarHBondContact CE-OG1 3.33Å; K590-T594 WeakPolarHBondContact O-CB 3.29Å; K590-T594 PolarHBondContact O-N 3.04Å; K590-T594 PolarHBondContact O-OG1 3.49Å; L591-T594 PolarHBondContact O-N 3.37Å |
| 595 | Y | 76.8 | Confident | 81.4 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | trans | -70.4 | 141.7 | -176.7 | -158.7 | -102.1 | 0 | 0 | 0 | 112.3 | V559 L591 N597 L600 R601 | V559-Y595 HydrophobicContact CG2-CE2 4.15Å; V559-Y595 WeakPolarHBondContact CG2-OH 3.28Å; L591-Y595 HydrophobicContact CD2-CG 4.11Å; L591-Y595 HydrophobicContact CG-CD2 4.1Å; L591-Y595 HydrophobicContact CG-CG 4.09Å; L591-Y595 WeakPolarHBondContact O-CB 3.19Å; L591-Y595 PolarHBondContact O-N 2.85Å; Y595-N597 VanDerWaalsContact C-N 3.34Å; Y595-N597 HydrophobicContact CD1-CB 3.91Å; Y595-N597 HydrophobicContact CE1-CB 3.9Å; Y595-N597 PolarHBondContact O-N 3.22Å; Y595-L600 HydrophobicContact CD1-CB 4.18Å; Y595-L600 HydrophobicContact CD1-CD1 4.28Å; Y595-L600 HydrophobicContact CE1-CB 4.42Å; Y595-L600 HydrophobicContact CE1-CD1 3.68Å; Y595-R601 WeakPolarHBondContact O-CD 3.3Å; Y595-R601 WeakPolarHBondContact O-CG 3.46Å; Y595-R601 PolarHBondContact O-NE 3.33Å | ||
| 596 | H | 77.3 | Confident | 81.7 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -66.2 | -33.6 | -171.7 | 54.1 | -87.7 | 0 | 0 | 0 | 113.2 | E556 | E556-H596 IonicContact OE1-CD2 3.15Å; E556-H596 PolarHBondContact OE1-CD2 2.74Å; E556-H596 IonicContact OE1-NE2 2.7Å; E556-H596 PolarHBondContact OE1-NE2 3.46Å |
| 597 | N | 78.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 58 Ų | 58 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | trans | -82.3 | 122 | 179.7 | -170.9 | -59.6 | 0 | 0 | 0 | 111.9 | E556 Y595 E599 L600 R601 | E556-N597 HydrophobicContact CG-CB 4.44Å; E556-N597 WeakPolarHBondContact OE1-CB 3.33Å; E556-N597 PolarHBondContact OE1-ND2 3.1Å; E556-N597 PolarHBondContact OE2-ND2 3.43Å; Y595-N597 VanDerWaalsContact C-N 3.34Å; Y595-N597 HydrophobicContact CD1-CB 3.91Å; Y595-N597 HydrophobicContact CE1-CB 3.9Å; Y595-N597 PolarHBondContact O-N 3.22Å; N597-E599 WeakPolarHBondContact OD1-CA 3.39Å; N597-E599 WeakPolarHBondContact OD1-CB 3.25Å; N597-E599 PolarHBondContact OD1-N 3.45Å; N597-L600 HydrophobicContact CB-CB 4.19Å; N597-L600 HydrophobicContact CB-CD1 3.98Å; N597-L600 HydrophobicContact CB-CG 4.18Å; N597-L600 PolarHBondContact OD1-N 3.13Å; N597-L600 VanDerWaalsContact OD1-N 3.14Å; N597-R601 WeakPolarHBondContact O-CG 3.3Å; N597-R601 PolarHBondContact O-N 2.95Å; N597-R601 VanDerWaalsContact O-N 3.16Å | ||
| 598 | S | 79.9 | Confident | 82.1 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.9 | -33.2 | -179.3 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | L602 | S598-L602 WeakPolarHBondContact O-CG 3.2Å; S598-L602 PolarHBondContact O-N 2.92Å; S598-L602 VanDerWaalsContact O-N 3.13Å |
| 599 | E | 82.8 | Confident | 82.1 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.3 | -42.4 | -179.8 | -168.7 | -176.7 | 158.7 | 0 | 0 | 111 | N597 R601 L602 K603 | N597-E599 WeakPolarHBondContact OD1-CA 3.39Å; N597-E599 WeakPolarHBondContact OD1-CB 3.25Å; N597-E599 PolarHBondContact OD1-N 3.45Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.47Å; E599-L602 WeakPolarHBondContact O-CB 3.27Å; E599-L602 PolarHBondContact O-N 3.5Å; E599-L602 VanDerWaalsContact O-N 3.15Å; E599-K603 PolarHBondContact O-N 3.43Å |
| 600 | L | 83 | Confident | 81.9 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -33 | 176.2 | -64.2 | 176.1 | 0 | 0 | 0 | 112.2 | E556 V559 L563 Y595 N597 K603 A604 | E556-L600 HydrophobicContact CB-CD1 3.92Å; E556-L600 HydrophobicContact CG-CD1 4.32Å; E556-L600 WeakPolarHBondContact O-CD1 3.47Å; V559-L600 HydrophobicContact CB-CD1 4.12Å; V559-L600 HydrophobicContact CG1-CD1 4.03Å; L563-L600 HydrophobicContact CD1-CD2 4.36Å; Y595-L600 HydrophobicContact CD1-CB 4.18Å; Y595-L600 HydrophobicContact CD1-CD1 4.28Å; Y595-L600 HydrophobicContact CE1-CB 4.42Å; Y595-L600 HydrophobicContact CE1-CD1 3.68Å; N597-L600 HydrophobicContact CB-CB 4.19Å; N597-L600 HydrophobicContact CB-CD1 3.98Å; N597-L600 HydrophobicContact CB-CG 4.18Å; N597-L600 PolarHBondContact OD1-N 3.13Å; N597-L600 VanDerWaalsContact OD1-N 3.14Å; L600-K603 HydrophobicContact CD2-CD 4.46Å; L600-K603 PolarHBondContact O-N 2.92Å; L600-A604 WeakPolarHBondContact O-CB 3.33Å; L600-A604 PolarHBondContact O-N 3.29Å |
| 601 | R | 83.5 | Confident | 81.7 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 169.4 | -76 | -168.6 | -66 | 147.1 | 4 | 112 | A592 Y595 N597 E599 A604 S605 | A592-R601 WeakPolarHBondContact O-CD 3.16Å; A592-R601 WeakPolarHBondContact O-CG 3.34Å; Y595-R601 WeakPolarHBondContact O-CD 3.3Å; Y595-R601 WeakPolarHBondContact O-CG 3.46Å; Y595-R601 PolarHBondContact O-NE 3.33Å; N597-R601 WeakPolarHBondContact O-CG 3.3Å; N597-R601 PolarHBondContact O-N 2.95Å; N597-R601 VanDerWaalsContact O-N 3.16Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.47Å; R601-A604 PolarHBondContact O-N 2.87Å; R601-S605 PolarHBondContact O-N 3.5Å; R601-S605 PolarHBondContact O-OG 3.18Å; R601-S605 VanDerWaalsContact O-OG 3.11Å |
| 602 | L | 83.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 58.6 Ų | 58.6 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 177.1 | -73.2 | 169.3 | 0 | 0 | 0 | 111.9 | S598 E599 A604 S605 Q606 | S598-L602 WeakPolarHBondContact O-CG 3.2Å; S598-L602 PolarHBondContact O-N 2.92Å; S598-L602 VanDerWaalsContact O-N 3.13Å; E599-L602 WeakPolarHBondContact O-CB 3.27Å; E599-L602 PolarHBondContact O-N 3.5Å; E599-L602 VanDerWaalsContact O-N 3.15Å; L602-A604 VanDerWaalsContact C-N 3.33Å; L602-A604 PolarHBondContact O-N 3.31Å; L602-S605 PolarHBondContact O-N 2.84Å; L602-Q606 WeakPolarHBondContact O-CG 3.16Å; L602-Q606 PolarHBondContact O-N 3.16Å |
| 603 | K | 84.2 | Confident | 80.8 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.6 | -75.9 | -175.5 | 179.5 | 175.6 | 0 | 112 | L563 E599 L600 Q606 L607 | L563-K603 HydrophobicContact CD1-CB 4.3Å; E599-K603 PolarHBondContact O-N 3.43Å; L600-K603 HydrophobicContact CD2-CD 4.46Å; L600-K603 PolarHBondContact O-N 2.92Å; K603-Q606 PolarHBondContact O-N 3.09Å; K603-L607 WeakPolarHBondContact O-CB 3.11Å; K603-L607 PolarHBondContact O-N 3.18Å |
| 604 | A | 84.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L563 V588 L591 A592 L600 R601 L602 L607 L608 | L563-A604 HydrophobicContact CD1-CB 4.38Å; L563-A604 HydrophobicContact CD2-CB 4.33Å; V588-A604 HydrophobicContact CG1-CB 3.88Å; V588-A604 WeakPolarHBondContact CG1-O 3.39Å; L591-A604 HydrophobicContact CD2-CB 3.79Å; A592-A604 HydrophobicContact CB-CB 3.87Å; L600-A604 WeakPolarHBondContact O-CB 3.33Å; L600-A604 PolarHBondContact O-N 3.29Å; R601-A604 PolarHBondContact O-N 2.87Å; L602-A604 VanDerWaalsContact C-N 3.33Å; L602-A604 PolarHBondContact O-N 3.31Å; A604-L607 WeakPolarHBondContact O-CB 3.49Å; A604-L607 PolarHBondContact O-N 2.89Å; A604-L608 WeakPolarHBondContact O-CG 3.47Å; A604-L608 PolarHBondContact O-N 3.11Å |
| 605 | S | 84.9 | Confident | 79.3 | Confident | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | R601 L602 L607 L608 N609 | R601-S605 PolarHBondContact O-N 3.5Å; R601-S605 PolarHBondContact O-OG 3.18Å; R601-S605 VanDerWaalsContact O-OG 3.11Å; L602-S605 PolarHBondContact O-N 2.84Å; S605-L607 VanDerWaalsContact C-N 3.32Å; S605-L607 PolarHBondContact O-N 3.11Å; S605-L608 PolarHBondContact O-N 3.12Å; S605-N609 PolarHBondContact O-N 2.97Å; S605-N609 VanDerWaalsContact O-N 3.14Å |
| 606 | Q | 86 | Confident | 78.5 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.2 | -73.4 | 172.4 | -25.2 | 0 | 0 | 111.3 | L602 K603 L608 N609 N610 | L602-Q606 WeakPolarHBondContact O-CG 3.16Å; L602-Q606 PolarHBondContact O-N 3.16Å; K603-Q606 PolarHBondContact O-N 3.09Å; Q606-L608 VanDerWaalsContact C-N 3.31Å; Q606-L608 PolarHBondContact O-N 3.49Å; Q606-N609 PolarHBondContact O-N 3.36Å; Q606-N610 PolarHBondContact O-N 3.49Å; Q606-N610 VanDerWaalsContact O-N 3.08Å |
| 607 | L | 84.2 | Confident | 77.5 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -39.1 | 177.1 | -167.2 | 127.2 | 0 | 0 | 0 | 112.1 | L566 E567 I570 V588 K603 A604 S605 N610 I611 | L566-L607 HydrophobicContact CB-CD1 3.68Å; L566-L607 HydrophobicContact CB-CD2 4.49Å; E567-L607 HydrophobicContact CB-CD1 4.03Å; I570-L607 HydrophobicContact CD1-CD1 3.94Å; I570-L607 HydrophobicContact CD1-CD2 3.97Å; I570-L607 HydrophobicContact CD1-CG 3.58Å; V588-L607 HydrophobicContact CG1-CD2 3.86Å; V588-L607 HydrophobicContact CG2-CD2 4.05Å; K603-L607 WeakPolarHBondContact O-CB 3.11Å; K603-L607 PolarHBondContact O-N 3.18Å; A604-L607 WeakPolarHBondContact O-CB 3.49Å; A604-L607 PolarHBondContact O-N 2.89Å; S605-L607 VanDerWaalsContact C-N 3.32Å; S605-L607 PolarHBondContact O-N 3.11Å; L607-N610 PolarHBondContact O-N 2.97Å; L607-I611 HydrophobicContact CD2-CD1 3.67Å; L607-I611 VanDerWaalsContact O-CG1 3.31Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.16Å |
| 608 | L | 83.2 | Confident | 76 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.7 | -70.5 | 166.5 | 0 | 0 | 0 | 112.3 | R585 V588 E589 A592 A604 S605 Q606 N610 I611 D612 | R585-L608 HydrophobicContact CG-CD2 3.9Å; V588-L608 HydrophobicContact CB-CD2 3.95Å; V588-L608 HydrophobicContact CB-CG 4.32Å; V588-L608 HydrophobicContact CG1-CD1 4.22Å; V588-L608 HydrophobicContact CG1-CD2 3.93Å; V588-L608 HydrophobicContact CG1-CG 3.75Å; E589-L608 HydrophobicContact CB-CD1 4.35Å; E589-L608 HydrophobicContact CG-CD1 3.73Å; E589-L608 HydrophobicContact CG-CD2 3.7Å; E589-L608 HydrophobicContact CG-CG 4.38Å; A592-L608 HydrophobicContact CB-CD1 4.02Å; A604-L608 WeakPolarHBondContact O-CG 3.47Å; A604-L608 PolarHBondContact O-N 3.11Å; S605-L608 PolarHBondContact O-N 3.12Å; Q606-L608 VanDerWaalsContact C-N 3.31Å; Q606-L608 PolarHBondContact O-N 3.49Å; L608-N610 VanDerWaalsContact C-N 3.31Å; L608-N610 PolarHBondContact O-N 2.9Å; L608-I611 WeakPolarHBondContact O-CB 3.43Å; L608-I611 PolarHBondContact O-N 3.43Å; L608-I611 VanDerWaalsContact O-N 3.15Å; L608-D612 PolarHBondContact O-N 3.43Å |
| 609 | N | 82.3 | Confident | 74.1 | Confident | 95 Ų | 95 | 68 Ų | 68 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.4 | -66.4 | -16.1 | 0 | 0 | 0 | 111.3 | S605 Q606 I611 D612 E613 | S605-N609 PolarHBondContact O-N 2.97Å; S605-N609 VanDerWaalsContact O-N 3.14Å; Q606-N609 PolarHBondContact O-N 3.36Å; N609-I611 VanDerWaalsContact C-N 3.29Å; N609-I611 PolarHBondContact O-N 3.04Å; N609-D612 PolarHBondContact O-N 2.85Å; N609-E613 WeakPolarHBondContact O-CG 3.23Å; N609-E613 PolarHBondContact O-N 3.14Å |
| 610 | N | 79.7 | Confident | 71.7 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 177.7 | -66.1 | -14.2 | 0 | 0 | 0 | 112.2 | I570 Q606 L607 L608 R614 | I570-N610 HydrophobicContact CG2-CB 4.45Å; Q606-N610 PolarHBondContact O-N 3.49Å; Q606-N610 VanDerWaalsContact O-N 3.08Å; L607-N610 PolarHBondContact O-N 2.97Å; L608-N610 VanDerWaalsContact C-N 3.31Å; L608-N610 PolarHBondContact O-N 2.9Å; N610-R614 PolarHBondContact O-N 3.36Å |
| 611 | I | 75.8 | Confident | 69.1 | Low | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 173.5 | -67.9 | 167 | 0 | 0 | 0 | 110.1 | I570 F581 L607 L608 N609 R614 A615 | I570-I611 HydrophobicContact CD1-CD1 4.13Å; I570-I611 HydrophobicContact CD1-CG1 3.6Å; I570-I611 HydrophobicContact CG1-CG1 4.23Å; F581-I611 HydrophobicContact CB-CD1 4.27Å; F581-I611 HydrophobicContact CB-CG1 4.21Å; F581-I611 HydrophobicContact CB-CG2 4.12Å; F581-I611 HydrophobicContact CD1-CD1 4.45Å; F581-I611 HydrophobicContact CD1-CG1 4.48Å; L607-I611 HydrophobicContact CD2-CD1 3.67Å; L607-I611 VanDerWaalsContact O-CG1 3.31Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.16Å; L608-I611 WeakPolarHBondContact O-CB 3.43Å; L608-I611 PolarHBondContact O-N 3.43Å; L608-I611 VanDerWaalsContact O-N 3.15Å; N609-I611 VanDerWaalsContact C-N 3.29Å; N609-I611 PolarHBondContact O-N 3.04Å; I611-R614 PolarHBondContact O-N 3.33Å; I611-A615 WeakPolarHBondContact O-CB 3.32Å; I611-A615 PolarHBondContact O-N 3.32Å |
| 612 | D | 72.5 | Confident | 66.5 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | -178.6 | -75.7 | -31.3 | 0 | 0 | 0 | 112.3 | R585 L608 N609 R614 A615 S616 | R585-D612 IonicContact CZ-OD1 3.4Å; R585-D612 IonicContact CZ-OD2 2.62Å; R585-D612 IonicContact NH1-OD1 2.59Å; R585-D612 PolarHBondContact NH1-OD1 2.81Å; R585-D612 IonicContact NH2-OD1 3.6Å; R585-D612 PolarHBondContact NH2-OD1 3.48Å; R585-D612 IonicContact NH2-OD2 2.72Å; R585-D612 PolarHBondContact NH2-OD2 3.5Å; R585-D612 VanDerWaalsContact NH2-OD2 3.08Å; L608-D612 PolarHBondContact O-N 3.43Å; N609-D612 PolarHBondContact O-N 2.85Å; D612-R614 VanDerWaalsContact C-N 3.3Å; D612-R614 PolarHBondContact O-N 3.44Å; D612-A615 PolarHBondContact O-N 3.48Å; D612-S616 WeakPolarHBondContact O-CB 3.46Å; D612-S616 PolarHBondContact O-N 3.49Å; D612-S616 VanDerWaalsContact O-N 3.09Å; D612-S616 PolarHBondContact O-OG 3.16Å |
| 613 | E | 73.3 | Confident | 63.9 | Low | 137 Ų | 137 | 77.3 Ų | 77.3 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 175.4 | -73.9 | -179.6 | -177.5 | 0 | 0 | 112.4 | N609 S617 | N609-E613 WeakPolarHBondContact O-CG 3.23Å; N609-E613 PolarHBondContact O-N 3.14Å; E613-S617 PolarHBondContact O-OG 3.47Å |
| 614 | R | 66.7 | Low | 61.1 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78.7 | -35.6 | 178.9 | -75.9 | -131 | -178.2 | 178 | 3.1 | 113.8 | I570 S571 S573 N610 I611 D612 S616 S617 S618 | I570-R614 HydrophobicContact CG2-CG 4.5Å; I570-R614 PolarHBondContact O-NH1 3.28Å; I570-R614 PolarHBondContact O-NH2 3.45Å; S571-R614 PolarHBondContact O-NH2 3.03Å; S573-R614 PolarHBondContact O-NH1 3.11Å; S573-R614 PolarHBondContact OG-NH1 3.26Å; N610-R614 PolarHBondContact O-N 3.36Å; I611-R614 PolarHBondContact O-N 3.33Å; D612-R614 VanDerWaalsContact C-N 3.3Å; D612-R614 PolarHBondContact O-N 3.44Å; R614-S616 PolarHBondContact O-N 2.81Å; R614-S617 PolarHBondContact O-N 2.99Å; R614-S617 PolarHBondContact O-OG 3.49Å; R614-S617 VanDerWaalsContact O-OG 3.05Å; R614-S618 PolarHBondContact O-OG 3.4Å |
| 615 | A | 61.8 | Low | 58.3 | Low | 39 Ų | 39 | 90.3 Ų | 90.3 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I611 D612 S617 S618 | I611-A615 WeakPolarHBondContact O-CB 3.32Å; I611-A615 PolarHBondContact O-N 3.32Å; D612-A615 PolarHBondContact O-N 3.48Å; A615-S617 VanDerWaalsContact C-N 3.34Å; A615-S617 PolarHBondContact O-N 2.75Å; A615-S618 PolarHBondContact O-OG 3.28Å; A615-S618 VanDerWaalsContact O-OG 3.12Å |
| 616 | S | 61 | Low | 55.6 | Low | 90 Ų | 90 | 94.6 Ų | 94.6 | 63% | 0.629 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.2 | -22.6 | 179.4 | -54.4 | 0 | 0 | 0 | 0 | 114 | D612 R614 | D612-S616 WeakPolarHBondContact O-CB 3.46Å; D612-S616 PolarHBondContact O-N 3.49Å; D612-S616 VanDerWaalsContact O-N 3.09Å; D612-S616 PolarHBondContact O-OG 3.16Å; R614-S616 PolarHBondContact O-N 2.81Å |
| 617 | S | 55.8 | Low | 52.8 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -2.7 | -176.2 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | E613 R614 A615 | E613-S617 PolarHBondContact O-OG 3.47Å; R614-S617 PolarHBondContact O-N 2.99Å; R614-S617 PolarHBondContact O-OG 3.49Å; R614-S617 VanDerWaalsContact O-OG 3.05Å; A615-S617 VanDerWaalsContact C-N 3.34Å; A615-S617 PolarHBondContact O-N 2.75Å |
| 618 | S | 47.6 | Very low | 50 | Low | 32 Ų | 32 | 97.7 Ų | 97.7 | 22% | 0.224 | 57% | 0.567 | C | S | . | * | trans | -103.2 | 7.6 | -172.9 | 36.4 | 0 | 0 | 0 | 0 | 115.1 | R614 A615 | R614-S618 PolarHBondContact O-OG 3.4Å; A615-S618 PolarHBondContact O-OG 3.28Å; A615-S618 VanDerWaalsContact O-OG 3.12Å | ||
| 619 | L | 38.8 | Very low | 47.3 | Very low | 141 Ų | 141 | 102.1 Ų | 102.1 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -69.3 | 123.1 | 168.7 | -80.8 | 147 | 0 | 0 | 0 | 109.7 | T621 | L619-T621 PolarHBondContact O-N 3.17Š|
| 620 | P | 33.4 | Very low | 44.7 | Very low | 102 Ų | 102 | 106.2 Ų | 106.2 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | trans | -66.3 | 122 | 177.3 | -5.1 | 17.7 | 0 | 0 | 0 | 109.2 | E622 | P620-E622 PolarHBondContact O-N 3.37Š| ||
| 621 | T | 28 | Very low | 42.3 | Very low | 148 Ų | 148 | 111.4 Ų | 111.4 | 91% | 0.908 | 64% | 0.636 | S | S | * | * | trans | -68.4 | 77.1 | 164.5 | -8 | 0 | 0 | 0 | 0 | 108.6 | L619 | L619-T621 PolarHBondContact O-N 3.17Š| ||
| 622 | E | 30.1 | Very low | 40 | Very low | 182 Ų | 182 | 116.1 Ų | 116.1 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | trans | -86.5 | 112.5 | 151.4 | -76.2 | -166.2 | 166.7 | 0 | 0 | 107.6 | P620 | P620-E622 PolarHBondContact O-N 3.37Š| ||
| 623 | S | 27 | Very low | 37.9 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -40.2 | 129.4 | 174.5 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | E625 | S623-E625 PolarHBondContact O-N 3.28Š| ||
| 624 | D | 26.4 | Very low | 36.1 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | 27.9 | 83 | 140.1 | -70 | -35.5 | 0 | 0 | 0 | 115.9 | ||||
| 625 | E | 26.5 | Very low | 35.5 | Very low | 190 Ų | 190 | 121.8 Ų | 121.8 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -154.2 | 129.2 | 131.7 | -108.5 | 175.8 | -155.5 | 0 | 0 | 109.7 | S623 | S623-E625 PolarHBondContact O-N 3.28Š|
| 626 | V | 28.5 | Very low | 35.7 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 82.9 | 77.5 | -173.8 | -158.6 | 0 | 0 | 0 | 0 | 115.1 | G628 | V626-G628 PolarHBondContact O-N 3.03Å; V626-G628 VanDerWaalsContact O-N 3.14Å |
| 627 | S | 25.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | -47.7 | 111.9 | 161.1 | -47.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 628 | G | 25.7 | Very low | 38.2 | Very low | 52 Ų | 52 | 118 Ų | 118 | 54% | 0.536 | 69% | 0.685 | S | S | . | * | trans | -159.9 | 96.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | V626 F630 | V626-G628 PolarHBondContact O-N 3.03Å; V626-G628 VanDerWaalsContact O-N 3.14Å; G628-F630 PolarHBondContact O-N 3.19Å | ||
| 629 | S | 25.8 | Very low | 40 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -41.8 | 113.3 | -178.8 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | Q631 | S629-Q631 PolarHBondContact O-N 3.04Š| ||
| 630 | F | 28.7 | Very low | 42 | Very low | 181 Ų | 181 | 116.2 Ų | 116.2 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | -93 | 87.3 | 156.3 | -87.2 | -87.8 | 0 | 0 | 0 | 108.7 | G628 | G628-F630 PolarHBondContact O-N 3.19Š| ||
| 631 | Q | 29 | Very low | 44.5 | Very low | 165 Ų | 165 | 111.3 Ų | 111.3 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | trans | -74.8 | 119.8 | 152.8 | -77.1 | -177.3 | -35 | 0 | 0 | 107 | S629 E633 | S629-Q631 PolarHBondContact O-N 3.04Å; Q631-E633 PolarHBondContact O-N 3.31Å | ||
| 632 | A | 27.6 | Very low | 47.3 | Very low | 105 Ų | 105 | 106.2 Ų | 106.2 | 87% | 0.868 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -66.1 | 83.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 633 | E | 28 | Very low | 49.9 | Very low | 166 Ų | 166 | 102.8 Ų | 102.8 | 78% | 0.776 | 59% | 0.59 | S | S | * | * | trans | -165.6 | 76.2 | 169.5 | -107.7 | 176.8 | -155.9 | 0 | 0 | 108.3 | Q631 | Q631-E633 PolarHBondContact O-N 3.31Š| ||
| 634 | N | 36.3 | Very low | 52.4 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 91% | 0.909 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 159.2 | 137.9 | 150.4 | -82.7 | -41.9 | 0 | 0 | 0 | 110.5 | ||
| 635 | G | 55 | Low | 55.1 | Low | 63 Ų | 63 | 93.4 Ų | 93.4 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | trans | -50.4 | 137.7 | -162 | 0 | 0 | 0 | 0 | 0 | 117 | T637 | G635-T637 WeakPolarHBondContact O-CG2 3.4Å; G635-T637 PolarHBondContact O-N 3.05Å | ||
| 636 | E | 65.6 | Low | 57.8 | Low | 77 Ų | 77 | 92.5 Ų | 92.5 | 36% | 0.36 | 52% | 0.522 | S | S | . | . | trans | -43.7 | 127.6 | 175.6 | -58.7 | 165.1 | 146.5 | 0 | 0 | 111.7 | H655 L659 R662 | E636-H655 IonicContact OE1-NE2 3.86Å; E636-L659 HydrophobicContact CB-CD1 3.65Å; E636-L659 HydrophobicContact CB-CD2 3.95Å; E636-L659 HydrophobicContact CB-CG 4.45Å; E636-L659 HydrophobicContact CG-CD1 4.43Å; E636-L659 VanDerWaalsContact OE2-CD1 3.27Å; E636-L659 WeakPolarHBondContact OE2-CD1 3.47Å; E636-R662 IonicContact OE2-CZ 2.68Å; E636-R662 IonicContact OE2-NH1 3.97Å; E636-R662 PolarHBondContact OE2-NH1 2.6Å; E636-R662 IonicContact OE2-NH2 2.92Å; E636-R662 PolarHBondContact OE2-NH2 3.04Å | ||
| 637 | T | 83.1 | Confident | 60.2 | Low | 53 Ų | 53 | 88.6 Ų | 88.6 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | trans | -102.4 | 172.1 | -166.3 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | G635 E639 D640 A641 | G635-T637 WeakPolarHBondContact O-CG2 3.4Å; G635-T637 PolarHBondContact O-N 3.05Å; T637-E639 VanDerWaalsContact C-N 3.26Å; T637-E639 PolarHBondContact O-N 3.21Å; T637-D640 WeakPolarHBondContact CB-OD2 3.44Å; T637-D640 PolarHBondContact N-OD2 3.09Å; T637-D640 PolarHBondContact O-N 2.62Å; T637-D640 VanDerWaalsContact OG1-CG 3.26Å; T637-D640 PolarHBondContact OG1-N 3.14Å; T637-D640 PolarHBondContact OG1-OD2 3.25Å; T637-A641 PolarHBondContact O-N 3.43Å; T637-A641 VanDerWaalsContact O-N 3.14Å | ||
| 638 | Y | 85 | Confident | 62.4 | Low | 13 Ų | 13 | 88.5 Ų | 88.5 | 5% | 0.051 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -57.5 | -37.3 | 172 | 177.2 | -105.7 | 0 | 0 | 0 | 112.9 | D640 A641 L642 L660 T671 N674 V678 | Y638-D640 VanDerWaalsContact C-N 3.34Å; Y638-A641 PolarHBondContact O-N 2.57Å; Y638-L642 HydrophobicContact CD1-CD1 4.11Å; Y638-L642 HydrophobicContact CE1-CD1 3.43Å; Y638-L642 VanDerWaalsContact CE1-CD1 3.43Å; Y638-L642 HydrophobicContact CE1-CG 4.09Å; Y638-L642 HydrophobicContact CE2-CG 4.39Å; Y638-L642 PolarHBondContact O-N 2.86Å; Y638-L642 VanDerWaalsContact O-N 3.14Å; Y638-L660 HydrophobicContact CD2-CD2 4.27Å; Y638-L660 HydrophobicContact CE2-CD2 4.1Å; Y638-T671 HydrophobicContact CD2-CG2 4.05Å; Y638-T671 WeakPolarHBondContact CD2-OG1 3.34Å; Y638-T671 HydrophobicContact CE2-CG2 4.39Å; Y638-N674 HydrophobicContact CE1-CB 4.21Å; Y638-N674 VanDerWaalsContact CE1-ND2 3.34Å; Y638-N674 WeakPolarHBondContact CE1-ND2 3.41Å; Y638-N674 HydrophobicContact CE2-CB 4.45Å; Y638-N674 WeakPolarHBondContact OH-CB 3.09Å; Y638-V678 HydrophobicContact CE2-CG2 3.67Å |
| 639 | E | 86.6 | Confident | 64.8 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 177.1 | -75.7 | 101.6 | -169.2 | 0 | 0 | 111.9 | T637 L642 H643 K670 | T637-E639 VanDerWaalsContact C-N 3.26Å; T637-E639 PolarHBondContact O-N 3.21Å; E639-L642 PolarHBondContact O-N 3.27Å; E639-H643 PolarHBondContact O-N 3.25Å; E639-K670 IonicContact OE1-NZ 2.73Å; E639-K670 PolarHBondContact OE1-NZ 3.3Å; E639-K670 IonicContact OE2-NZ 3.12Å; E639-K670 PolarHBondContact OE2-NZ 3.31Å |
| 640 | D | 80.9 | Confident | 66.9 | Low | 39 Ų | 39 | 84.9 Ų | 84.9 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 177.3 | -55.6 | -43.6 | 0 | 0 | 0 | 110.9 | T637 Y638 L642 H643 F644 L659 | T637-D640 WeakPolarHBondContact CB-OD2 3.44Å; T637-D640 PolarHBondContact N-OD2 3.09Å; T637-D640 PolarHBondContact O-N 2.62Å; T637-D640 VanDerWaalsContact OG1-CG 3.26Å; T637-D640 PolarHBondContact OG1-N 3.14Å; T637-D640 PolarHBondContact OG1-OD2 3.25Å; Y638-D640 VanDerWaalsContact C-N 3.34Å; D640-L642 VanDerWaalsContact C-N 3.33Å; D640-L642 PolarHBondContact O-N 3.39Å; D640-H643 WeakPolarHBondContact O-CB 3.14Å; D640-H643 PolarHBondContact O-N 3.39Å; D640-H643 VanDerWaalsContact O-N 3.14Å; D640-F644 HydrophobicContact CB-CE2 4.37Å; D640-F644 WeakPolarHBondContact O-CD2 3.22Å; D640-F644 PolarHBondContact O-N 3.07Å; D640-L659 HydrophobicContact CB-CD2 4.28Å |
| 641 | A | 84.9 | Confident | 69 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T637 Y638 H643 F644 L645 L659 L660 L663 | T637-A641 PolarHBondContact O-N 3.43Å; T637-A641 VanDerWaalsContact O-N 3.14Å; Y638-A641 PolarHBondContact O-N 2.57Å; A641-H643 VanDerWaalsContact C-N 3.34Å; A641-F644 PolarHBondContact O-N 3.38Å; A641-L645 WeakPolarHBondContact O-CG 3.47Å; A641-L645 PolarHBondContact O-N 3.28Å; A641-L645 VanDerWaalsContact O-N 3.15Å; A641-L659 HydrophobicContact CB-CB 4.2Å; A641-L659 HydrophobicContact CB-CD2 3.71Å; A641-L659 HydrophobicContact CB-CG 3.98Å; A641-L660 HydrophobicContact CB-CG 3.98Å; A641-L663 HydrophobicContact CB-CD1 4.14Å |
| 642 | L | 86.7 | Confident | 71.3 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.5 | -33.3 | 175.5 | -69.7 | -177.9 | 0 | 0 | 0 | 112.9 | Y638 E639 D640 L645 K646 L681 | Y638-L642 HydrophobicContact CD1-CD1 4.11Å; Y638-L642 HydrophobicContact CE1-CD1 3.43Å; Y638-L642 VanDerWaalsContact CE1-CD1 3.43Å; Y638-L642 HydrophobicContact CE1-CG 4.09Å; Y638-L642 HydrophobicContact CE2-CG 4.39Å; Y638-L642 PolarHBondContact O-N 2.86Å; Y638-L642 VanDerWaalsContact O-N 3.14Å; E639-L642 PolarHBondContact O-N 3.27Å; D640-L642 VanDerWaalsContact C-N 3.33Å; D640-L642 PolarHBondContact O-N 3.39Å; L642-L645 HydrophobicContact CD2-CD1 4.43Å; L642-K646 WeakPolarHBondContact O-CG 3.07Å; L642-K646 PolarHBondContact O-N 3.21Å; L642-L681 HydrophobicContact CD2-CD1 3.55Å |
| 643 | H | 84.1 | Confident | 73.7 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 174.9 | -179.2 | -88.2 | 0 | 0 | 0 | 110.5 | E639 D640 A641 L645 K646 | E639-H643 PolarHBondContact O-N 3.25Å; D640-H643 WeakPolarHBondContact O-CB 3.14Å; D640-H643 PolarHBondContact O-N 3.39Å; D640-H643 VanDerWaalsContact O-N 3.14Å; A641-H643 VanDerWaalsContact C-N 3.34Å; H643-L645 VanDerWaalsContact C-N 3.32Å; H643-L645 PolarHBondContact O-N 3.07Å; H643-K646 PolarHBondContact O-N 3.41Å; H643-K646 VanDerWaalsContact O-N 3.08Å |
| 644 | F | 79.7 | Confident | 76 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 21% | 0.211 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 178.7 | -73.2 | -55.2 | 0 | 0 | 0 | 113.3 | D640 A641 K646 L647 Y652 L659 | D640-F644 HydrophobicContact CB-CE2 4.37Å; D640-F644 WeakPolarHBondContact O-CD2 3.22Å; D640-F644 PolarHBondContact O-N 3.07Å; A641-F644 PolarHBondContact O-N 3.38Å; F644-K646 PolarHBondContact O-N 3.46Å; F644-L647 HydrophobicContact CD1-CD1 4.09Å; F644-L647 PolarHBondContact O-N 2.88Å; F644-Y652 CarbonylContact C-O 3.55Å; F644-Y652 WeakPolarHBondContact CB-O 3.46Å; F644-Y652 HydrophobicContact CD1-CD1 4.26Å; F644-Y652 CarbonylContact O-C 3.51Å; F644-L659 HydrophobicContact CD2-CD2 4.25Å; F644-L659 HydrophobicContact CE2-CD2 4.42Å |
| 645 | L | 84.9 | Confident | 77.9 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -21 | 176.6 | -70.9 | -179.5 | 0 | 0 | 0 | 114.6 | A641 L642 H643 V653 L657 L660 | A641-L645 WeakPolarHBondContact O-CG 3.47Å; A641-L645 PolarHBondContact O-N 3.28Å; A641-L645 VanDerWaalsContact O-N 3.15Å; L642-L645 HydrophobicContact CD2-CD1 4.43Å; H643-L645 VanDerWaalsContact C-N 3.32Å; H643-L645 PolarHBondContact O-N 3.07Å; L645-V653 HydrophobicContact CD2-CG1 4.08Å; L645-V653 WeakPolarHBondContact CD2-O 3.49Å; L645-L657 HydrophobicContact CD2-CD2 3.79Å; L645-L657 HydrophobicContact CD2-CG 3.67Å; L645-L660 HydrophobicContact CD1-CD1 3.52Å; L645-L660 HydrophobicContact CG-CD1 4.45Å |
| 646 | K | 81.1 | Confident | 79.3 | Confident | 171 Ų | 171 | 50.9 Ų | 50.9 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.4 | 178.9 | -70.6 | 171.6 | -177 | 176.7 | 0 | 113.1 | L642 H643 F644 | L642-K646 WeakPolarHBondContact O-CG 3.07Å; L642-K646 PolarHBondContact O-N 3.21Å; H643-K646 PolarHBondContact O-N 3.41Å; H643-K646 VanDerWaalsContact O-N 3.08Å; F644-K646 PolarHBondContact O-N 3.46Å |
| 647 | L | 79.6 | Confident | 80.4 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -77.7 | 144.7 | -179.2 | -61.4 | 175.4 | 0 | 0 | 0 | 110.5 | F644 N649 Y652 V653 | F644-L647 HydrophobicContact CD1-CD1 4.09Å; F644-L647 PolarHBondContact O-N 2.88Å; L647-N649 PolarHBondContact O-N 3.41Å; L647-Y652 HydrophobicContact CB-CD2 3.96Å; L647-Y652 HydrophobicContact CB-CG 4.16Å; L647-Y652 HydrophobicContact CD1-CD1 4.19Å; L647-Y652 HydrophobicContact CD1-CD2 3.85Å; L647-Y652 HydrophobicContact CD1-CG 3.7Å; L647-V653 WeakPolarHBondContact O-CG2 3.23Å |
| 648 | S | 72.3 | Confident | 80.3 | Confident | 126 Ų | 126 | 47.3 Ų | 47.3 | 88% | 0.881 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -77.2 | -18.8 | -172.8 | -53.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 649 | N | 75.2 | Confident | 80.2 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -78.8 | 128.9 | -178.6 | 179.6 | -14.5 | 0 | 0 | 0 | 109.9 | L647 E651 Y652 V653 | L647-N649 PolarHBondContact O-N 3.41Å; N649-E651 PolarHBondContact ND2-OE2 2.72Å; N649-E651 PolarHBondContact O-N 3.23Å; N649-E651 VanDerWaalsContact O-N 3.08Å; N649-E651 PolarHBondContact OD1-N 3.29Å; N649-E651 PolarHBondContact OD1-OE2 2.88Å; N649-Y652 HydrophobicContact CB-CD2 3.58Å; N649-Y652 HydrophobicContact CB-CE2 3.93Å; N649-Y652 PolarHBondContact O-N 3.4Å; N649-V653 PolarHBondContact O-N 3.19Å |
| 650 | P | 71.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.5 | -27.1 | 179.2 | 20.9 | -34.9 | 0 | 0 | 0 | 115.1 | V653 G654 D690 I693 | P650-V653 PolarHBondContact O-N 2.75Å; P650-G654 PolarHBondContact O-N 3.08Å; P650-D690 WeakPolarHBondContact CB-OD2 3.43Å; P650-I693 HydrophobicContact CB-CD1 3.78Å; P650-I693 HydrophobicContact CB-CG1 4.3Å |
| 651 | E | 72 | Confident | 80.4 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 176.5 | -72.8 | 149.5 | -177.9 | 0 | 0 | 112 | R534 N649 G654 H655 | R534-E651 IonicContact CZ-OE1 3.08Å; R534-E651 IonicContact NH2-OE1 2.86Å; R534-E651 PolarHBondContact NH2-OE1 3.36Å; N649-E651 PolarHBondContact ND2-OE2 2.72Å; N649-E651 PolarHBondContact O-N 3.23Å; N649-E651 VanDerWaalsContact O-N 3.08Å; N649-E651 PolarHBondContact OD1-N 3.29Å; N649-E651 PolarHBondContact OD1-OE2 2.88Å; E651-G654 PolarHBondContact O-N 3.31Å; E651-H655 WeakPolarHBondContact O-CA 3.38Å; E651-H655 WeakPolarHBondContact O-CB 3.31Å; E651-H655 PolarHBondContact O-N 2.59Å |
| 652 | Y | 76.7 | Confident | 80.3 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.9 | -32.8 | 176 | -62.5 | -52 | 0 | 0 | 0 | 112.4 | F644 L647 N649 H655 G656 | F644-Y652 CarbonylContact C-O 3.55Å; F644-Y652 WeakPolarHBondContact CB-O 3.46Å; F644-Y652 HydrophobicContact CD1-CD1 4.26Å; F644-Y652 CarbonylContact O-C 3.51Å; L647-Y652 HydrophobicContact CB-CD2 3.96Å; L647-Y652 HydrophobicContact CB-CG 4.16Å; L647-Y652 HydrophobicContact CD1-CD1 4.19Å; L647-Y652 HydrophobicContact CD1-CD2 3.85Å; L647-Y652 HydrophobicContact CD1-CG 3.7Å; N649-Y652 HydrophobicContact CB-CD2 3.58Å; N649-Y652 HydrophobicContact CB-CE2 3.93Å; N649-Y652 PolarHBondContact O-N 3.4Å; Y652-H655 VanDerWaalsContact O-CA 3.26Å; Y652-H655 WeakPolarHBondContact O-CA 3.3Å; Y652-G656 PolarHBondContact O-N 3.32Å |
| 653 | V | 79.3 | Confident | 80.3 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -46 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | L645 L647 N649 P650 G656 L657 I693 | L645-V653 HydrophobicContact CD2-CG1 4.08Å; L645-V653 WeakPolarHBondContact CD2-O 3.49Å; L647-V653 WeakPolarHBondContact O-CG2 3.23Å; N649-V653 PolarHBondContact O-N 3.19Å; P650-V653 PolarHBondContact O-N 2.75Å; V653-G656 PolarHBondContact O-N 3.05Å; V653-L657 HydrophobicContact CG1-CD1 4.4Å; V653-L657 WeakPolarHBondContact O-CG 3.45Å; V653-L657 PolarHBondContact O-N 3.29Å; V653-L657 VanDerWaalsContact O-N 3.08Å; V653-I693 HydrophobicContact CB-CD1 4Å; V653-I693 HydrophobicContact CB-CG1 4.23Å; V653-I693 HydrophobicContact CG1-CD1 4.01Å; V653-I693 HydrophobicContact CG1-CG1 4.13Å; V653-I693 HydrophobicContact CG1-CG2 3.89Å |
| 654 | G | 74.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -48.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P650 E651 L657 I658 Y692 | P650-G654 PolarHBondContact O-N 3.08Å; E651-G654 PolarHBondContact O-N 3.31Å; G654-L657 WeakPolarHBondContact O-CB 3.39Å; G654-L657 PolarHBondContact O-N 3.1Å; G654-I658 WeakPolarHBondContact O-CG1 3.21Å; G654-I658 PolarHBondContact O-N 3.24Å; G654-Y692 VanDerWaalsContact CA-CE1 3.46Å |
| 655 | H | 77.7 | Confident | 80.3 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | H | α-helix | 19.6 | -110.8 | 121.4 | -129.8 | 41.7 | 0 | 0 | 0 | 120.3 | Y579 E636 E651 Y652 L657 I658 L659 | Y579-H655 HydrophobicContact CD1-CB 3.91Å; Y579-H655 HydrophobicContact CD2-CB 4.2Å; Y579-H655 AromaticContact CD2-CD2 3.6Å; Y579-H655 AromaticContact CD2-CG 3.89Å; Y579-H655 AromaticContact CD2-NE2 3.97Å; Y579-H655 HydrophobicContact CE1-CB 3.43Å; Y579-H655 VanDerWaalsContact CE1-CB 3.43Å; Y579-H655 AromaticContact CE1-CG 3.71Å; Y579-H655 AromaticContact CE1-ND1 3.94Å; Y579-H655 HydrophobicContact CE2-CB 3.79Å; Y579-H655 AromaticContact CE2-CD2 3.08Å; Y579-H655 WeakPolarHBondContact CE2-CD2 3.48Å; Y579-H655 AromaticContact CE2-CE1 3.24Å; Y579-H655 WeakPolarHBondContact CE2-CE1 3.27Å; Y579-H655 AromaticContact CE2-CG 3.16Å; Y579-H655 AromaticContact CE2-ND1 3.31Å; Y579-H655 VanDerWaalsContact CE2-ND1 3.31Å; Y579-H655 WeakPolarHBondContact CE2-ND1 3.33Å; Y579-H655 AromaticContact CE2-NE2 3.14Å; Y579-H655 WeakPolarHBondContact CE2-NE2 3.17Å; Y579-H655 HydrophobicContact CG-CB 4.3Å; Y579-H655 AromaticContact CZ-CD2 3.57Å; Y579-H655 AromaticContact CZ-CE1 3.39Å; Y579-H655 AromaticContact CZ-CG 3.07Å; Y579-H655 AromaticContact CZ-ND1 3.01Å; Y579-H655 AromaticContact CZ-NE2 3.75Å; Y579-H655 PolarHBondContact OH-CE1 3.29Å; Y579-H655 VanDerWaalsContact OH-CG 3.31Å; Y579-H655 PolarHBondContact OH-ND1 3.07Å; E636-H655 IonicContact OE1-NE2 3.86Å; E651-H655 WeakPolarHBondContact O-CA 3.38Å; E651-H655 WeakPolarHBondContact O-CB 3.31Å; E651-H655 PolarHBondContact O-N 2.59Å; Y652-H655 VanDerWaalsContact O-CA 3.26Å; Y652-H655 WeakPolarHBondContact O-CA 3.3Å; H655-L657 PolarHBondContact O-N 3.39Å; H655-L657 VanDerWaalsContact O-N 3.16Å; H655-I658 PolarHBondContact O-N 2.69Å; H655-L659 PolarHBondContact O-N 2.77Å | |
| 656 | G | 84.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.3 | -33.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y652 V653 L659 L660 | Y652-G656 PolarHBondContact O-N 3.32Å; V653-G656 PolarHBondContact O-N 3.05Å; G656-L659 PolarHBondContact O-N 2.91Å; G656-L660 WeakPolarHBondContact O-CB 3.41Å; G656-L660 PolarHBondContact O-N 3.5Å |
| 657 | L | 86.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.4 | -67.6 | 171.9 | 0 | 0 | 0 | 112.4 | L645 V653 G654 H655 L659 L660 K661 T682 H685 I693 A697 V700 | L645-L657 HydrophobicContact CD2-CD2 3.79Å; L645-L657 HydrophobicContact CD2-CG 3.67Å; V653-L657 HydrophobicContact CG1-CD1 4.4Å; V653-L657 WeakPolarHBondContact O-CG 3.45Å; V653-L657 PolarHBondContact O-N 3.29Å; V653-L657 VanDerWaalsContact O-N 3.08Å; G654-L657 WeakPolarHBondContact O-CB 3.39Å; G654-L657 PolarHBondContact O-N 3.1Å; H655-L657 PolarHBondContact O-N 3.39Å; H655-L657 VanDerWaalsContact O-N 3.16Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 3.04Å; L657-L660 WeakPolarHBondContact O-CB 3.43Å; L657-L660 PolarHBondContact O-N 3.41Å; L657-K661 PolarHBondContact O-N 3.05Å; L657-T682 HydrophobicContact CD2-CG2 4.29Å; L657-H685 HydrophobicContact CD1-CB 4.33Å; L657-I693 HydrophobicContact CD1-CG2 3.93Å; L657-I693 VanDerWaalsContact CD1-O 3.32Å; L657-I693 WeakPolarHBondContact CD1-O 3.49Å; L657-A697 HydrophobicContact CD1-CB 4.03Å; L657-A697 HydrophobicContact CD2-CB 4.45Å; L657-V700 HydrophobicContact CB-CG2 4.24Å; L657-V700 HydrophobicContact CD2-CG2 4.43Å; L657-V700 WeakPolarHBondContact O-CG2 3.16Å |
| 658 | I | 81.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 28% | 0.282 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.2 | -69.1 | 170 | 0 | 0 | 0 | 110.3 | G654 H655 K661 R662 Y692 | G654-I658 WeakPolarHBondContact O-CG1 3.21Å; G654-I658 PolarHBondContact O-N 3.24Å; H655-I658 PolarHBondContact O-N 2.69Å; I658-K661 WeakPolarHBondContact O-CB 3.41Å; I658-K661 PolarHBondContact O-N 2.92Å; I658-R662 PolarHBondContact O-N 3.18Å; I658-Y692 HydrophobicContact CD1-CE2 4.28Å; I658-Y692 VanDerWaalsContact CD1-OH 3.26Å; I658-Y692 WeakPolarHBondContact CD1-OH 3.21Å |
| 659 | L | 84.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 177.4 | -173.8 | 63.1 | 0 | 0 | 0 | 111.2 | E636 D640 A641 F644 H655 G656 L657 K661 R662 L663 | E636-L659 HydrophobicContact CB-CD1 3.65Å; E636-L659 HydrophobicContact CB-CD2 3.95Å; E636-L659 HydrophobicContact CB-CG 4.45Å; E636-L659 HydrophobicContact CG-CD1 4.43Å; E636-L659 VanDerWaalsContact OE2-CD1 3.27Å; E636-L659 WeakPolarHBondContact OE2-CD1 3.47Å; D640-L659 HydrophobicContact CB-CD2 4.28Å; A641-L659 HydrophobicContact CB-CB 4.2Å; A641-L659 HydrophobicContact CB-CD2 3.71Å; A641-L659 HydrophobicContact CB-CG 3.98Å; F644-L659 HydrophobicContact CD2-CD2 4.25Å; F644-L659 HydrophobicContact CE2-CD2 4.42Å; H655-L659 PolarHBondContact O-N 2.77Å; G656-L659 PolarHBondContact O-N 2.91Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 3.04Å; L659-K661 VanDerWaalsContact C-N 3.34Å; L659-K661 PolarHBondContact O-N 2.87Å; L659-R662 WeakPolarHBondContact O-CB 3.49Å; L659-R662 PolarHBondContact O-N 2.92Å; L659-R662 VanDerWaalsContact O-N 3.07Å; L659-L663 HydrophobicContact CG-CD1 4.23Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.48Å |
| 660 | L | 86.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -47 | 173.3 | -97.5 | 159.7 | 0 | 0 | 0 | 112.2 | Y638 A641 L645 G656 L657 R662 L663 I664 T671 V678 V700 | Y638-L660 HydrophobicContact CD2-CD2 4.27Å; Y638-L660 HydrophobicContact CE2-CD2 4.1Å; A641-L660 HydrophobicContact CB-CG 3.98Å; L645-L660 HydrophobicContact CD1-CD1 3.52Å; L645-L660 HydrophobicContact CG-CD1 4.45Å; G656-L660 WeakPolarHBondContact O-CB 3.41Å; G656-L660 PolarHBondContact O-N 3.5Å; L657-L660 WeakPolarHBondContact O-CB 3.43Å; L657-L660 PolarHBondContact O-N 3.41Å; L660-R662 VanDerWaalsContact C-N 3.28Å; L660-R662 PolarHBondContact O-N 3.49Å; L660-L663 PolarHBondContact O-N 3.42Å; L660-I664 VanDerWaalsContact O-CG1 3.24Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 2.7Å; L660-T671 HydrophobicContact CD2-CG2 3.99Å; L660-V678 HydrophobicContact CD2-CB 4.32Å; L660-V678 HydrophobicContact CD2-CG1 3.78Å; L660-V678 HydrophobicContact CD2-CG2 3.6Å; L660-V700 HydrophobicContact CB-CG1 4.47Å; L660-V700 HydrophobicContact CB-CG2 4.26Å |
| 661 | K | 84.5 | Confident | 81.9 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.9 | -46.8 | 175.1 | -179.4 | -168.1 | 171.2 | -174.3 | 0 | 110.5 | L657 I658 L659 I664 V665 A699 V700 C703 | L657-K661 PolarHBondContact O-N 3.05Å; I658-K661 WeakPolarHBondContact O-CB 3.41Å; I658-K661 PolarHBondContact O-N 2.92Å; L659-K661 VanDerWaalsContact C-N 3.34Å; L659-K661 PolarHBondContact O-N 2.87Å; K661-I664 PolarHBondContact O-N 2.98Å; K661-V665 VanDerWaalsContact O-CG2 3.3Å; K661-V665 WeakPolarHBondContact O-CG2 3.39Å; K661-V665 PolarHBondContact O-N 2.78Å; K661-A699 HydrophobicContact CD-CB 4.17Å; K661-V700 HydrophobicContact CB-CG2 3.83Å; K661-C703 HydrophobicContact CG-CB 4.3Å |
| 662 | R | 83.1 | Confident | 82.5 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 42% | 0.419 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | -180 | -165.8 | -178.7 | 74.5 | -160.1 | 2.3 | 111.3 | E636 I658 L659 L660 I664 V665 C666 | E636-R662 IonicContact OE2-CZ 2.68Å; E636-R662 IonicContact OE2-NH1 3.97Å; E636-R662 PolarHBondContact OE2-NH1 2.6Å; E636-R662 IonicContact OE2-NH2 2.92Å; E636-R662 PolarHBondContact OE2-NH2 3.04Å; I658-R662 PolarHBondContact O-N 3.18Å; L659-R662 WeakPolarHBondContact O-CB 3.49Å; L659-R662 PolarHBondContact O-N 2.92Å; L659-R662 VanDerWaalsContact O-N 3.07Å; L660-R662 VanDerWaalsContact C-N 3.28Å; L660-R662 PolarHBondContact O-N 3.49Å; R662-I664 VanDerWaalsContact C-N 3.34Å; R662-I664 PolarHBondContact O-N 2.84Å; R662-V665 PolarHBondContact O-N 2.68Å; R662-V665 VanDerWaalsContact O-N 3.16Å; R662-C666 WeakPolarHBondContact O-CB 3.46Å; R662-C666 PolarHBondContact O-N 2.74Å; R662-C666 PolarHBondContact O-SG 3.24Å; R662-C666 VanDerWaalsContact O-SG 3.35Å |
| 663 | L | 85.3 | Confident | 82.9 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 177.7 | -70.9 | 169.1 | 0 | 0 | 0 | 112.1 | A641 L659 L660 C666 K667 D668 T671 | A641-L663 HydrophobicContact CB-CD1 4.14Å; L659-L663 HydrophobicContact CG-CD1 4.23Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.48Å; L660-L663 PolarHBondContact O-N 3.42Å; L663-C666 PolarHBondContact O-N 3.07Å; L663-K667 PolarHBondContact O-N 2.89Å; L663-D668 HydrophobicContact CB-CB 4.1Å; L663-D668 HydrophobicContact CD2-CB 3.95Å; L663-D668 WeakPolarHBondContact O-CB 3.23Å; L663-D668 PolarHBondContact O-N 3.12Å; L663-T671 HydrophobicContact CB-CG2 4.1Å |
| 664 | I | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 173.7 | -66.5 | 164.5 | 0 | 0 | 0 | 110.6 | L660 K661 R662 C666 K667 T671 M675 V678 V700 C703 A704 Y707 | L660-I664 VanDerWaalsContact O-CG1 3.24Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 2.7Å; K661-I664 PolarHBondContact O-N 2.98Å; R662-I664 VanDerWaalsContact C-N 3.34Å; R662-I664 PolarHBondContact O-N 2.84Å; I664-C666 VanDerWaalsContact C-N 3.32Å; I664-C666 PolarHBondContact O-N 2.99Å; I664-K667 PolarHBondContact O-N 3.27Å; I664-K667 VanDerWaalsContact O-N 3.13Å; I664-T671 HydrophobicContact CG1-CG2 3.75Å; I664-M675 HydrophobicContact CG1-CE 4.42Å; I664-M675 HydrophobicContact CG2-CE 4.4Å; I664-V678 HydrophobicContact CD1-CG1 4.13Å; I664-V700 HydrophobicContact CD1-CG1 3.82Å; I664-C703 HydrophobicContact CG2-CB 4.14Å; I664-A704 HydrophobicContact CD1-CB 4.35Å; I664-Y707 HydrophobicContact CG2-CD2 3.56Å; I664-Y707 HydrophobicContact CG2-CE2 3.53Å; I664-Y707 WeakPolarHBondContact O-CE2 3.46Å; I664-Y707 VanDerWaalsContact O-CZ 3.22Å; I664-Y707 PolarHBondContact O-OH 2.86Å |
| 665 | V | 80.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 55 Ų | 55 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | K661 R662 K667 Y707 | K661-V665 VanDerWaalsContact O-CG2 3.3Å; K661-V665 WeakPolarHBondContact O-CG2 3.39Å; K661-V665 PolarHBondContact O-N 2.78Å; R662-V665 PolarHBondContact O-N 2.68Å; R662-V665 VanDerWaalsContact O-N 3.16Å; V665-K667 PolarHBondContact O-N 3.49Å; V665-Y707 PolarHBondContact O-OH 3.31Å; V665-Y707 VanDerWaalsContact O-OH 3.08Å |
| 666 | C | 82.4 | Confident | 84 | Confident | 93 Ų | 93 | 59 Ų | 59 | 63% | 0.628 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.6 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 114.2 | R662 L663 I664 D668 | R662-C666 WeakPolarHBondContact O-CB 3.46Å; R662-C666 PolarHBondContact O-N 2.74Å; R662-C666 PolarHBondContact O-SG 3.24Å; R662-C666 VanDerWaalsContact O-SG 3.35Å; L663-C666 PolarHBondContact O-N 3.07Å; I664-C666 VanDerWaalsContact C-N 3.32Å; I664-C666 PolarHBondContact O-N 2.99Å; C666-D668 VanDerWaalsContact C-N 3.28Å; C666-D668 PolarHBondContact O-N 3.16Å |
| 667 | K | 80.3 | Confident | 84 | Confident | 140 Ų | 140 | 63.3 Ų | 63.3 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 39.7 | -177.4 | -55.3 | -172.6 | -173.1 | -170.5 | 0 | 113.3 | L663 I664 V665 E669 L672 Y707 | L663-K667 PolarHBondContact O-N 2.89Å; I664-K667 PolarHBondContact O-N 3.27Å; I664-K667 VanDerWaalsContact O-N 3.13Å; V665-K667 PolarHBondContact O-N 3.49Å; K667-E669 PolarHBondContact O-N 3.41Å; K667-L672 HydrophobicContact CB-CD1 4.05Å; K667-Y707 HydrophobicContact CD-CE1 4.12Å; K667-Y707 HydrophobicContact CG-CE1 3.77Å; K667-Y707 VanDerWaalsContact CG-OH 3.28Å; K667-Y707 WeakPolarHBondContact CG-OH 3.45Å |
| 668 | D | 83 | Confident | 84 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -57.7 | 126.7 | 176 | 174.8 | 64.7 | 0 | 0 | 0 | 111 | L663 C666 K670 T671 L672 | L663-D668 HydrophobicContact CB-CB 4.1Å; L663-D668 HydrophobicContact CD2-CB 3.95Å; L663-D668 WeakPolarHBondContact O-CB 3.23Å; L663-D668 PolarHBondContact O-N 3.12Å; C666-D668 VanDerWaalsContact C-N 3.28Å; C666-D668 PolarHBondContact O-N 3.16Å; D668-K670 PolarHBondContact O-N 3.43Å; D668-K670 PolarHBondContact OD2-N 3.29Å; D668-T671 PolarHBondContact O-N 3.13Å; D668-T671 WeakPolarHBondContact OD2-CB 3.35Å; D668-T671 PolarHBondContact OD2-N 2.93Å; D668-T671 PolarHBondContact OD2-OG1 2.86Å; D668-L672 WeakPolarHBondContact O-CG 3.18Å; D668-L672 PolarHBondContact O-N 3.36Å | ||
| 669 | E | 81.3 | Confident | 83.9 | Confident | 131 Ų | 131 | 61.3 Ų | 61.3 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | -169.2 | -126.3 | -162.2 | -146.9 | 0 | 0 | 112.4 | K667 K673 | K667-E669 PolarHBondContact O-N 3.41Å; E669-K673 WeakPolarHBondContact O-CB 3.23Å; E669-K673 VanDerWaalsContact O-CG 3.29Å; E669-K673 WeakPolarHBondContact O-CG 3.42Å; E669-K673 PolarHBondContact O-N 2.87Å; E669-K673 IonicContact OE2-NZ 2.78Å; E669-K673 PolarHBondContact OE2-NZ 3.2Å |
| 670 | K | 85.6 | Confident | 83.9 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 177.4 | -79.1 | -173.5 | -178.8 | -177.7 | 0 | 110.8 | E639 D668 L672 K673 N674 | E639-K670 IonicContact OE1-NZ 2.73Å; E639-K670 PolarHBondContact OE1-NZ 3.3Å; E639-K670 IonicContact OE2-NZ 3.12Å; E639-K670 PolarHBondContact OE2-NZ 3.31Å; D668-K670 PolarHBondContact O-N 3.43Å; D668-K670 PolarHBondContact OD2-N 3.29Å; K670-L672 VanDerWaalsContact C-N 3.33Å; K670-L672 PolarHBondContact O-N 2.61Å; K670-K673 PolarHBondContact O-N 3.24Å; K670-N674 PolarHBondContact O-N 3.08Å; K670-N674 PolarHBondContact O-ND2 3.36Å |
| 671 | T | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | -179.8 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | Y638 L660 L663 I664 D668 N674 M675 V678 | Y638-T671 HydrophobicContact CD2-CG2 4.05Å; Y638-T671 WeakPolarHBondContact CD2-OG1 3.34Å; Y638-T671 HydrophobicContact CE2-CG2 4.39Å; L660-T671 HydrophobicContact CD2-CG2 3.99Å; L663-T671 HydrophobicContact CB-CG2 4.1Å; I664-T671 HydrophobicContact CG1-CG2 3.75Å; D668-T671 PolarHBondContact O-N 3.13Å; D668-T671 WeakPolarHBondContact OD2-CB 3.35Å; D668-T671 PolarHBondContact OD2-N 2.93Å; D668-T671 PolarHBondContact OD2-OG1 2.86Å; T671-N674 CarbonylContact O-C 3.52Å; T671-N674 PolarHBondContact O-N 2.89Å; T671-M675 PolarHBondContact O-N 3.04Å; T671-V678 HydrophobicContact CG2-CG2 4.27Å |
| 672 | L | 83.7 | Confident | 84 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 176.4 | -68.4 | 179.2 | 0 | 0 | 0 | 112.7 | K667 D668 K670 N674 M675 Y707 | K667-L672 HydrophobicContact CB-CD1 4.05Å; D668-L672 WeakPolarHBondContact O-CG 3.18Å; D668-L672 PolarHBondContact O-N 3.36Å; K670-L672 VanDerWaalsContact C-N 3.33Å; K670-L672 PolarHBondContact O-N 2.61Å; L672-N674 VanDerWaalsContact C-N 3.26Å; L672-N674 PolarHBondContact O-N 3.43Å; L672-M675 HydrophobicContact CD2-CE 3.59Å; L672-M675 WeakPolarHBondContact O-CB 3.4Å; L672-M675 PolarHBondContact O-N 3.19Å; L672-Y707 HydrophobicContact CD2-CG 4.46Å |
| 673 | K | 86.7 | Confident | 83.8 | Confident | 147 Ų | 147 | 60.4 Ų | 60.4 | 64% | 0.639 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -35.4 | 174.2 | -79.6 | 169.2 | -179.3 | 157.6 | 0 | 112.1 | E669 K670 | E669-K673 WeakPolarHBondContact O-CB 3.23Å; E669-K673 VanDerWaalsContact O-CG 3.29Å; E669-K673 WeakPolarHBondContact O-CG 3.42Å; E669-K673 PolarHBondContact O-N 2.87Å; E669-K673 IonicContact OE2-NZ 2.78Å; E669-K673 PolarHBondContact OE2-NZ 3.2Å; K670-K673 PolarHBondContact O-N 3.24Å |
| 674 | N | 87.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 24.6 | -179.8 | -62.4 | -30.2 | 0 | 0 | 0 | 113.4 | Y638 K670 T671 L672 N676 D677 V678 | Y638-N674 HydrophobicContact CE1-CB 4.21Å; Y638-N674 VanDerWaalsContact CE1-ND2 3.34Å; Y638-N674 WeakPolarHBondContact CE1-ND2 3.41Å; Y638-N674 HydrophobicContact CE2-CB 4.45Å; Y638-N674 WeakPolarHBondContact OH-CB 3.09Å; K670-N674 PolarHBondContact O-N 3.08Å; K670-N674 PolarHBondContact O-ND2 3.36Å; T671-N674 CarbonylContact O-C 3.52Å; T671-N674 PolarHBondContact O-N 2.89Å; L672-N674 VanDerWaalsContact C-N 3.26Å; L672-N674 PolarHBondContact O-N 3.43Å; N674-N676 PolarHBondContact O-N 2.97Å; N674-N676 VanDerWaalsContact O-N 3.13Å; N674-D677 PolarHBondContact O-N 3.34Å; N674-V678 WeakPolarHBondContact O-CG2 3.31Å; N674-V678 PolarHBondContact O-N 3.46Å; N674-V678 VanDerWaalsContact O-N 3.07Å |
| 675 | M | 84.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.3 | -36.2 | -175.2 | -174.6 | 61.8 | 77.8 | 0 | 0 | 113 | I664 T671 L672 D677 V678 L679 A704 L711 | I664-M675 HydrophobicContact CG1-CE 4.42Å; I664-M675 HydrophobicContact CG2-CE 4.4Å; T671-M675 PolarHBondContact O-N 3.04Å; L672-M675 HydrophobicContact CD2-CE 3.59Å; L672-M675 WeakPolarHBondContact O-CB 3.4Å; L672-M675 PolarHBondContact O-N 3.19Å; M675-D677 PolarHBondContact O-N 2.84Å; M675-V678 PolarHBondContact O-N 2.98Å; M675-L679 HydrophobicContact CG-CD1 4.13Å; M675-L679 HydrophobicContact CG-CG 4.38Å; M675-L679 WeakPolarHBondContact O-CG 3.21Å; M675-L679 PolarHBondContact O-N 3.14Å; M675-L679 HydrophobicContact SD-CG 4.42Å; M675-A704 HydrophobicContact CE-CB 4.28Å; M675-A704 HydrophobicContact SD-CB 3.65Å; M675-L711 HydrophobicContact CG-CD1 4.41Å |
| 676 | N | 81.9 | Confident | 83.9 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.8 | -81.4 | -32.5 | 0 | 0 | 0 | 113.2 | N674 T680 K715 | N674-N676 PolarHBondContact O-N 2.97Å; N674-N676 VanDerWaalsContact O-N 3.13Å; N676-T680 PolarHBondContact O-N 3.42Å; N676-T680 PolarHBondContact O-OG1 2.87Å; N676-K715 PolarHBondContact OD1-NZ 3.48Å |
| 677 | D | 84.6 | Confident | 83.8 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 178.2 | -65.7 | -19.8 | 0 | 0 | 0 | 110.5 | N674 M675 L679 T680 L681 | N674-D677 PolarHBondContact O-N 3.34Å; M675-D677 PolarHBondContact O-N 2.84Å; D677-L679 VanDerWaalsContact C-N 3.33Å; D677-L679 PolarHBondContact O-N 3.49Å; D677-T680 PolarHBondContact O-N 3.19Å; D677-T680 VanDerWaalsContact O-N 3.16Å; D677-L681 WeakPolarHBondContact O-CB 3.49Å; D677-L681 PolarHBondContact O-N 3.23Å |
| 678 | V | 86.3 | Confident | 84 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.9 | -50.2 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | Y638 L660 I664 T671 N674 M675 T680 L681 T682 V700 | Y638-V678 HydrophobicContact CE2-CG2 3.67Å; L660-V678 HydrophobicContact CD2-CB 4.32Å; L660-V678 HydrophobicContact CD2-CG1 3.78Å; L660-V678 HydrophobicContact CD2-CG2 3.6Å; I664-V678 HydrophobicContact CD1-CG1 4.13Å; T671-V678 HydrophobicContact CG2-CG2 4.27Å; N674-V678 WeakPolarHBondContact O-CG2 3.31Å; N674-V678 PolarHBondContact O-N 3.46Å; N674-V678 VanDerWaalsContact O-N 3.07Å; M675-V678 PolarHBondContact O-N 2.98Å; V678-T680 VanDerWaalsContact C-N 3.33Å; V678-T680 PolarHBondContact O-N 3.04Å; V678-L681 PolarHBondContact O-N 3.39Å; V678-T682 VanDerWaalsContact O-CB 3.22Å; V678-T682 WeakPolarHBondContact O-CB 3.12Å; V678-T682 PolarHBondContact O-N 3.11Å; V678-T682 PolarHBondContact O-OG1 3.48Å; V678-V700 HydrophobicContact CG1-CG1 4.11Å |
| 679 | L | 80.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 178.7 | -69 | 167.5 | 0 | 0 | 0 | 111.8 | M675 D677 T682 T683 L701 A704 L711 K715 | M675-L679 HydrophobicContact CG-CD1 4.13Å; M675-L679 HydrophobicContact CG-CG 4.38Å; M675-L679 WeakPolarHBondContact O-CG 3.21Å; M675-L679 PolarHBondContact O-N 3.14Å; M675-L679 HydrophobicContact SD-CG 4.42Å; D677-L679 VanDerWaalsContact C-N 3.33Å; D677-L679 PolarHBondContact O-N 3.49Å; L679-T682 PolarHBondContact O-N 3.2Å; L679-T683 VanDerWaalsContact O-CB 3.3Å; L679-T683 WeakPolarHBondContact O-CB 3.35Å; L679-T683 PolarHBondContact O-N 3.13Å; L679-T683 PolarHBondContact O-OG1 2.82Å; L679-L701 HydrophobicContact CD2-CD2 3.66Å; L679-A704 HydrophobicContact CD2-CB 3.81Å; L679-L711 HydrophobicContact CD1-CD1 3.67Å; L679-L711 HydrophobicContact CD1-CD2 3.31Å; L679-L711 HydrophobicContact CD1-CG 4.06Å; L679-L711 HydrophobicContact CD2-CD1 4.35Å; L679-K715 HydrophobicContact CD1-CD 4.19Å |
| 680 | T | 83.4 | Confident | 83.7 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -48.3 | -178.8 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | N676 D677 V678 T683 A684 | N676-T680 PolarHBondContact O-N 3.42Å; N676-T680 PolarHBondContact O-OG1 2.87Å; D677-T680 PolarHBondContact O-N 3.19Å; D677-T680 VanDerWaalsContact O-N 3.16Å; V678-T680 VanDerWaalsContact C-N 3.33Å; V678-T680 PolarHBondContact O-N 3.04Å; T680-T683 PolarHBondContact O-N 3.34Å; T680-A684 PolarHBondContact O-N 3.41Å; T680-A684 VanDerWaalsContact O-N 3.12Å |
| 681 | L | 86.7 | Confident | 83.3 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 174.6 | -84.9 | 161.8 | 0 | 0 | 0 | 111.7 | L642 D677 V678 T683 A684 H685 | L642-L681 HydrophobicContact CD2-CD1 3.55Å; D677-L681 WeakPolarHBondContact O-CB 3.49Å; D677-L681 PolarHBondContact O-N 3.23Å; V678-L681 PolarHBondContact O-N 3.39Å; L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 2.67Å; L681-A684 WeakPolarHBondContact O-CB 3.42Å; L681-A684 PolarHBondContact O-N 3.31Å; L681-A684 VanDerWaalsContact O-N 3.13Å; L681-H685 PolarHBondContact O-CD2 2.98Å; L681-H685 PolarHBondContact O-N 3.06Å |
| 682 | T | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | -177.3 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | L657 V678 L679 A684 H685 L686 A697 V700 L701 | L657-T682 HydrophobicContact CD2-CG2 4.29Å; V678-T682 VanDerWaalsContact O-CB 3.22Å; V678-T682 WeakPolarHBondContact O-CB 3.12Å; V678-T682 PolarHBondContact O-N 3.11Å; V678-T682 PolarHBondContact O-OG1 3.48Å; L679-T682 PolarHBondContact O-N 3.2Å; T682-A684 VanDerWaalsContact C-N 3.35Å; T682-H685 PolarHBondContact O-N 3.01Å; T682-L686 PolarHBondContact O-N 3.17Å; T682-A697 HydrophobicContact CG2-CB 3.68Å; T682-A697 WeakPolarHBondContact CG2-O 3.22Å; T682-V700 HydrophobicContact CG2-CB 3.73Å; T682-V700 HydrophobicContact CG2-CG1 3.78Å; T682-V700 WeakPolarHBondContact OG1-CG1 3.3Å; T682-L701 HydrophobicContact CG2-CD1 4.23Å; T682-L701 HydrophobicContact CG2-CD2 3.99Å; T682-L701 HydrophobicContact CG2-CG 3.67Å |
| 683 | T | 80.9 | Confident | 83 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 176 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | L679 T680 L681 H685 L686 I719 | L679-T683 VanDerWaalsContact O-CB 3.3Å; L679-T683 WeakPolarHBondContact O-CB 3.35Å; L679-T683 PolarHBondContact O-N 3.13Å; L679-T683 PolarHBondContact O-OG1 2.82Å; T680-T683 PolarHBondContact O-N 3.34Å; L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 2.67Å; T683-H685 VanDerWaalsContact C-N 3.27Å; T683-H685 PolarHBondContact O-N 3.17Å; T683-L686 HydrophobicContact CG2-CD1 4.24Å; T683-L686 WeakPolarHBondContact O-CB 3.46Å; T683-L686 PolarHBondContact O-N 3.2Å; T683-L686 VanDerWaalsContact O-N 3.14Å; T683-I719 HydrophobicContact CG2-CD1 3.72Å; T683-I719 HydrophobicContact CG2-CG1 4.23Å; T683-I719 HydrophobicContact CG2-CG2 3.84Å |
| 684 | A | 85.2 | Confident | 82.9 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T680 L681 T682 L686 Q687 | T680-A684 PolarHBondContact O-N 3.41Å; T680-A684 VanDerWaalsContact O-N 3.12Å; L681-A684 WeakPolarHBondContact O-CB 3.42Å; L681-A684 PolarHBondContact O-N 3.31Å; L681-A684 VanDerWaalsContact O-N 3.13Å; T682-A684 VanDerWaalsContact C-N 3.35Å; A684-L686 PolarHBondContact O-N 3.22Å; A684-Q687 PolarHBondContact O-N 3.48Å |
| 685 | H | 86.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.2 | -11.6 | 177.1 | -69.9 | -65.3 | 0 | 0 | 0 | 114.6 | L657 L681 T682 T683 Q687 N688 I693 A697 | L657-H685 HydrophobicContact CD1-CB 4.33Å; L681-H685 PolarHBondContact O-CD2 2.98Å; L681-H685 PolarHBondContact O-N 3.06Å; T682-H685 PolarHBondContact O-N 3.01Å; T683-H685 VanDerWaalsContact C-N 3.27Å; T683-H685 PolarHBondContact O-N 3.17Å; H685-Q687 PolarHBondContact O-N 2.79Å; H685-N688 VanDerWaalsContact O-CB 3.3Å; H685-N688 WeakPolarHBondContact O-CB 3.49Å; H685-N688 PolarHBondContact O-N 3.25Å; H685-I693 HydrophobicContact CB-CG2 3.9Å; H685-A697 HydrophobicContact CB-CB 4.05Å |
| 686 | L | 80.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26 | 172.2 | -68.4 | 173.4 | 0 | 0 | 0 | 112.8 | T682 T683 A684 N688 A697 I698 L701 K734 V735 | T682-L686 PolarHBondContact O-N 3.17Å; T683-L686 HydrophobicContact CG2-CD1 4.24Å; T683-L686 WeakPolarHBondContact O-CB 3.46Å; T683-L686 PolarHBondContact O-N 3.2Å; T683-L686 VanDerWaalsContact O-N 3.14Å; A684-L686 PolarHBondContact O-N 3.22Å; L686-N688 PolarHBondContact O-N 3.44Å; L686-A697 HydrophobicContact CD2-CB 4.16Å; L686-I698 HydrophobicContact CD2-CD1 4.35Å; L686-I698 HydrophobicContact CD2-CG1 3.49Å; L686-I698 VanDerWaalsContact CD2-CG1 3.49Å; L686-L701 HydrophobicContact CD1-CD1 3.67Å; L686-L701 HydrophobicContact CD2-CD1 4.11Å; L686-L701 HydrophobicContact CG-CD1 4.08Å; L686-K734 WeakPolarHBondContact O-CD 3.46Å; L686-K734 PolarHBondContact O-NZ 3.29Å; L686-V735 HydrophobicContact CD1-CG2 3.62Å |
| 687 | Q | 80.8 | Confident | 82.9 | Confident | 92 Ų | 92 | 46 Ų | 46 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.3 | 177.2 | -63.8 | -170.6 | -23 | 0 | 0 | 112.9 | A684 H685 F723 | A684-Q687 PolarHBondContact O-N 3.48Å; H685-Q687 PolarHBondContact O-N 2.79Å; Q687-F723 HydrophobicContact CG-CZ 4.32Å |
| 688 | N | 83.6 | Confident | 82.9 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | trans | -70.4 | 138.8 | 177.7 | -158.9 | -65.5 | 0 | 0 | 0 | 110.9 | H685 L686 D690 I693 K734 | H685-N688 VanDerWaalsContact O-CB 3.3Å; H685-N688 WeakPolarHBondContact O-CB 3.49Å; H685-N688 PolarHBondContact O-N 3.25Å; L686-N688 PolarHBondContact O-N 3.44Å; N688-D690 VanDerWaalsContact C-N 3.32Å; N688-D690 WeakPolarHBondContact OD1-CB 3.22Å; N688-D690 PolarHBondContact OD1-N 3.04Å; N688-I693 HydrophobicContact CB-CB 4.13Å; N688-I693 HydrophobicContact CB-CG2 3.76Å; N688-I693 WeakPolarHBondContact ND2-CD1 3.41Å; N688-K734 PolarHBondContact O-NZ 3.3Å | ||
| 689 | D | 77.2 | Confident | 82.8 | Confident | 155 Ų | 155 | 43.2 Ų | 43.2 | 83% | 0.829 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -73.5 | -24.8 | 178.6 | -65.1 | -33.9 | 0 | 0 | 0 | 112.3 | S691 | D689-S691 PolarHBondContact O-N 3.27Š|
| 690 | D | 79.8 | Confident | 83.1 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | trans | -73 | 119.9 | 176.9 | -165.7 | -41.2 | 0 | 0 | 0 | 110.7 | P650 N688 Y692 I693 Y694 | P650-D690 WeakPolarHBondContact CB-OD2 3.43Å; N688-D690 VanDerWaalsContact C-N 3.32Å; N688-D690 WeakPolarHBondContact OD1-CB 3.22Å; N688-D690 PolarHBondContact OD1-N 3.04Å; D690-Y692 PolarHBondContact O-N 3.46Å; D690-Y692 WeakPolarHBondContact OD1-CB 3.32Å; D690-Y692 PolarHBondContact OD1-N 3.34Å; D690-I693 HydrophobicContact CB-CB 4.44Å; D690-I693 HydrophobicContact CB-CD1 4.08Å; D690-I693 HydrophobicContact CB-CG1 4.19Å; D690-I693 PolarHBondContact O-N 3Å; D690-I693 VanDerWaalsContact O-N 3.13Å; D690-Y694 WeakPolarHBondContact O-CD1 3.13Å; D690-Y694 PolarHBondContact O-N 3.05Å; D690-Y694 VanDerWaalsContact O-N 3.11Å | ||
| 691 | S | 78.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -30.6 | -180 | 61.1 | 0 | 0 | 0 | 0 | 114 | D689 I693 Y694 L695 | D689-S691 PolarHBondContact O-N 3.27Å; S691-I693 VanDerWaalsContact C-N 3.33Å; S691-I693 PolarHBondContact O-N 3.25Å; S691-Y694 VanDerWaalsContact CA-CD1 3.47Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 WeakPolarHBondContact O-CD1 3.36Å; S691-L695 WeakPolarHBondContact O-CG 3.27Å; S691-L695 PolarHBondContact O-N 3.02Å |
| 692 | Y | 77.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 36 Ų | 36 | 11% | 0.106 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.4 | -178.8 | -120.3 | 0 | 0 | 0 | 111.6 | G654 I658 D690 S696 | G654-Y692 VanDerWaalsContact CA-CE1 3.46Å; I658-Y692 HydrophobicContact CD1-CE2 4.28Å; I658-Y692 VanDerWaalsContact CD1-OH 3.26Å; I658-Y692 WeakPolarHBondContact CD1-OH 3.21Å; D690-Y692 PolarHBondContact O-N 3.46Å; D690-Y692 WeakPolarHBondContact OD1-CB 3.32Å; D690-Y692 PolarHBondContact OD1-N 3.34Å; Y692-S696 VanDerWaalsContact O-CB 3.22Å; Y692-S696 WeakPolarHBondContact O-CB 3.34Å; Y692-S696 PolarHBondContact O-N 3.04Å; Y692-S696 PolarHBondContact O-OG 3.47Å |
| 693 | I | 83.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.7 | -55.6 | -179.9 | -64.4 | 175.9 | 0 | 0 | 0 | 110 | P650 V653 L657 H685 N688 D690 S691 L695 S696 A697 | P650-I693 HydrophobicContact CB-CD1 3.78Å; P650-I693 HydrophobicContact CB-CG1 4.3Å; V653-I693 HydrophobicContact CB-CD1 4Å; V653-I693 HydrophobicContact CB-CG1 4.23Å; V653-I693 HydrophobicContact CG1-CD1 4.01Å; V653-I693 HydrophobicContact CG1-CG1 4.13Å; V653-I693 HydrophobicContact CG1-CG2 3.89Å; L657-I693 HydrophobicContact CD1-CG2 3.93Å; L657-I693 VanDerWaalsContact CD1-O 3.32Å; L657-I693 WeakPolarHBondContact CD1-O 3.49Å; H685-I693 HydrophobicContact CB-CG2 3.9Å; N688-I693 HydrophobicContact CB-CB 4.13Å; N688-I693 HydrophobicContact CB-CG2 3.76Å; N688-I693 WeakPolarHBondContact ND2-CD1 3.41Å; D690-I693 HydrophobicContact CB-CB 4.44Å; D690-I693 HydrophobicContact CB-CD1 4.08Å; D690-I693 HydrophobicContact CB-CG1 4.19Å; D690-I693 PolarHBondContact O-N 3Å; D690-I693 VanDerWaalsContact O-N 3.13Å; S691-I693 VanDerWaalsContact C-N 3.33Å; S691-I693 PolarHBondContact O-N 3.25Å; I693-L695 PolarHBondContact O-N 2.86Å; I693-S696 PolarHBondContact O-N 3.44Å; I693-A697 WeakPolarHBondContact O-CB 3.39Å; I693-A697 PolarHBondContact O-N 3.32Å |
| 694 | Y | 85.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 18% | 0.184 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -34.2 | -173.7 | 84.3 | -109.8 | 0 | 0 | 0 | 112 | D690 S691 A697 I698 K734 | D690-Y694 WeakPolarHBondContact O-CD1 3.13Å; D690-Y694 PolarHBondContact O-N 3.05Å; D690-Y694 VanDerWaalsContact O-N 3.11Å; S691-Y694 VanDerWaalsContact CA-CD1 3.47Å; Y694-A697 WeakPolarHBondContact O-CB 3.42Å; Y694-A697 PolarHBondContact O-N 3.48Å; Y694-I698 HydrophobicContact CD2-CD1 3.89Å; Y694-I698 HydrophobicContact CE2-CD1 4.22Å; Y694-I698 VanDerWaalsContact O-CG1 3.32Å; Y694-I698 WeakPolarHBondContact O-CG1 3.39Å; Y694-I698 PolarHBondContact O-N 3.22Å; Y694-K734 HydrophobicContact CD1-CD 4.16Å; Y694-K734 HydrophobicContact CD2-CD 3.82Å; Y694-K734 HydrophobicContact CD2-CG 3.96Å; Y694-K734 HydrophobicContact CE2-CD 4.27Å; Y694-K734 HydrophobicContact CE2-CG 4.09Å; Y694-K734 HydrophobicContact CG-CD 3.83Å; Y694-K734 HydrophobicContact CG-CG 4.47Å |
| 695 | L | 80.7 | Confident | 82.4 | Confident | 82 Ų | 82 | 32.8 Ų | 32.8 | 43% | 0.429 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.6 | -37.4 | 174.7 | -70.2 | 172.3 | 0 | 0 | 0 | 111.7 | S691 I693 A697 I698 A699 | S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 WeakPolarHBondContact O-CD1 3.36Å; S691-L695 WeakPolarHBondContact O-CG 3.27Å; S691-L695 PolarHBondContact O-N 3.02Å; I693-L695 PolarHBondContact O-N 2.86Å; L695-A697 VanDerWaalsContact C-N 3.32Å; L695-I698 HydrophobicContact CD2-CD1 4.49Å; L695-I698 PolarHBondContact O-N 3.08Å; L695-A699 PolarHBondContact O-N 2.73Å |
| 696 | S | 84.2 | Confident | 81.8 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 111 | Y692 I693 A699 V700 | Y692-S696 VanDerWaalsContact O-CB 3.22Å; Y692-S696 WeakPolarHBondContact O-CB 3.34Å; Y692-S696 PolarHBondContact O-N 3.04Å; Y692-S696 PolarHBondContact O-OG 3.47Å; I693-S696 PolarHBondContact O-N 3.44Å; S696-A699 WeakPolarHBondContact O-CB 3.03Å; S696-A699 PolarHBondContact O-N 3.15Å; S696-V700 WeakPolarHBondContact O-CG2 3.48Å; S696-V700 PolarHBondContact O-N 3.35Å |
| 697 | A | 88.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L657 T682 H685 L686 I693 Y694 L695 A699 V700 L701 | L657-A697 HydrophobicContact CD1-CB 4.03Å; L657-A697 HydrophobicContact CD2-CB 4.45Å; T682-A697 HydrophobicContact CG2-CB 3.68Å; T682-A697 WeakPolarHBondContact CG2-O 3.22Å; H685-A697 HydrophobicContact CB-CB 4.05Å; L686-A697 HydrophobicContact CD2-CB 4.16Å; I693-A697 WeakPolarHBondContact O-CB 3.39Å; I693-A697 PolarHBondContact O-N 3.32Å; Y694-A697 WeakPolarHBondContact O-CB 3.42Å; Y694-A697 PolarHBondContact O-N 3.48Å; L695-A697 VanDerWaalsContact C-N 3.32Å; A697-A699 VanDerWaalsContact C-N 3.28Å; A697-A699 PolarHBondContact O-N 3.29Å; A697-V700 PolarHBondContact O-N 3.18Å; A697-L701 WeakPolarHBondContact O-CG 3.18Å; A697-L701 PolarHBondContact O-N 2.99Å |
| 698 | I | 83.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -45.3 | 172.7 | -70 | 172.9 | 0 | 0 | 0 | 110.4 | L686 Y694 L695 V700 L701 V702 K734 A738 L741 | L686-I698 HydrophobicContact CD2-CD1 4.35Å; L686-I698 HydrophobicContact CD2-CG1 3.49Å; L686-I698 VanDerWaalsContact CD2-CG1 3.49Å; Y694-I698 HydrophobicContact CD2-CD1 3.89Å; Y694-I698 HydrophobicContact CE2-CD1 4.22Å; Y694-I698 VanDerWaalsContact O-CG1 3.32Å; Y694-I698 WeakPolarHBondContact O-CG1 3.39Å; Y694-I698 PolarHBondContact O-N 3.22Å; L695-I698 HydrophobicContact CD2-CD1 4.49Å; L695-I698 PolarHBondContact O-N 3.08Å; I698-V700 VanDerWaalsContact C-N 3.34Å; I698-V700 PolarHBondContact O-N 2.76Å; I698-L701 PolarHBondContact O-N 3.09Å; I698-V702 HydrophobicContact CG2-CG2 4.17Å; I698-V702 VanDerWaalsContact O-CG2 3.23Å; I698-V702 WeakPolarHBondContact O-CG2 3.43Å; I698-V702 PolarHBondContact O-N 3.18Å; I698-K734 HydrophobicContact CD1-CB 4.46Å; I698-A738 HydrophobicContact CG1-CB 4.26Å; I698-A738 HydrophobicContact CG2-CB 3.92Å; I698-L741 HydrophobicContact CG2-CD1 3.64Å |
| 699 | A | 84.4 | Confident | 80.4 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K661 L695 S696 A697 C703 | K661-A699 HydrophobicContact CD-CB 4.17Å; L695-A699 PolarHBondContact O-N 2.73Å; S696-A699 WeakPolarHBondContact O-CB 3.03Å; S696-A699 PolarHBondContact O-N 3.15Å; A697-A699 VanDerWaalsContact C-N 3.28Å; A697-A699 PolarHBondContact O-N 3.29Å; A699-C703 PolarHBondContact O-N 3.12Å; A699-C703 PolarHBondContact O-SG 3.41Å |
| 700 | V | 87.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 173 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L657 L660 K661 I664 V678 T682 S696 A697 I698 V702 C703 A704 | L657-V700 HydrophobicContact CB-CG2 4.24Å; L657-V700 HydrophobicContact CD2-CG2 4.43Å; L657-V700 WeakPolarHBondContact O-CG2 3.16Å; L660-V700 HydrophobicContact CB-CG1 4.47Å; L660-V700 HydrophobicContact CB-CG2 4.26Å; K661-V700 HydrophobicContact CB-CG2 3.83Å; I664-V700 HydrophobicContact CD1-CG1 3.82Å; V678-V700 HydrophobicContact CG1-CG1 4.11Å; T682-V700 HydrophobicContact CG2-CB 3.73Å; T682-V700 HydrophobicContact CG2-CG1 3.78Å; T682-V700 WeakPolarHBondContact OG1-CG1 3.3Å; S696-V700 WeakPolarHBondContact O-CG2 3.48Å; S696-V700 PolarHBondContact O-N 3.35Å; A697-V700 PolarHBondContact O-N 3.18Å; I698-V700 VanDerWaalsContact C-N 3.34Å; I698-V700 PolarHBondContact O-N 2.76Å; V700-V702 VanDerWaalsContact C-N 3.33Å; V700-V702 PolarHBondContact O-N 3.08Å; V700-C703 PolarHBondContact O-N 3.19Å; V700-C703 VanDerWaalsContact O-N 3.14Å; V700-A704 WeakPolarHBondContact O-CB 3.42Å; V700-A704 PolarHBondContact O-N 3.47Å |
| 701 | L | 83.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.6 | -70.8 | 171 | 0 | 0 | 0 | 112.2 | L679 T682 L686 A697 I698 C703 A704 S705 M716 | L679-L701 HydrophobicContact CD2-CD2 3.66Å; T682-L701 HydrophobicContact CG2-CD1 4.23Å; T682-L701 HydrophobicContact CG2-CD2 3.99Å; T682-L701 HydrophobicContact CG2-CG 3.67Å; L686-L701 HydrophobicContact CD1-CD1 3.67Å; L686-L701 HydrophobicContact CD2-CD1 4.11Å; L686-L701 HydrophobicContact CG-CD1 4.08Å; A697-L701 WeakPolarHBondContact O-CG 3.18Å; A697-L701 PolarHBondContact O-N 2.99Å; I698-L701 PolarHBondContact O-N 3.09Å; L701-C703 VanDerWaalsContact C-N 3.35Å; L701-C703 PolarHBondContact O-N 2.99Å; L701-A704 PolarHBondContact O-N 3.43Å; L701-S705 WeakPolarHBondContact O-CB 3.49Å; L701-S705 PolarHBondContact O-N 3.11Å; L701-S705 PolarHBondContact O-OG 2.86Å; L701-M716 HydrophobicContact CB-CE 3.44Å; L701-M716 VanDerWaalsContact CB-CE 3.44Å; L701-M716 HydrophobicContact CD1-CE 3.55Å; L701-M716 HydrophobicContact CD2-CE 3.91Å; L701-M716 HydrophobicContact CG-CE 3.78Å |
| 702 | V | 81.1 | Confident | 79.1 | Confident | 14 Ų | 14 | 31.4 Ų | 31.4 | 9% | 0.085 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | I698 V700 S705 L741 I742 | I698-V702 HydrophobicContact CG2-CG2 4.17Å; I698-V702 VanDerWaalsContact O-CG2 3.23Å; I698-V702 WeakPolarHBondContact O-CG2 3.43Å; I698-V702 PolarHBondContact O-N 3.18Å; V700-V702 VanDerWaalsContact C-N 3.33Å; V700-V702 PolarHBondContact O-N 3.08Å; V702-S705 PolarHBondContact O-N 3.38Å; V702-S705 PolarHBondContact O-OG 2.88Å; V702-L741 HydrophobicContact CG2-CB 3.65Å; V702-L741 HydrophobicContact CG2-CD1 4.34Å; V702-I742 HydrophobicContact CB-CG1 4.27Å; V702-I742 HydrophobicContact CG1-CG1 4.4Å; V702-I742 HydrophobicContact CG2-CG1 3.92Å |
| 703 | C | 82.9 | Confident | 78.7 | Confident | 13 Ų | 13 | 32 Ų | 32 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.6 | -76 | 0 | 0 | 0 | 0 | 112.6 | K661 I664 A699 V700 L701 S705 R706 Y707 | K661-C703 HydrophobicContact CG-CB 4.3Å; I664-C703 HydrophobicContact CG2-CB 4.14Å; A699-C703 PolarHBondContact O-N 3.12Å; A699-C703 PolarHBondContact O-SG 3.41Å; V700-C703 PolarHBondContact O-N 3.19Å; V700-C703 VanDerWaalsContact O-N 3.14Å; L701-C703 VanDerWaalsContact C-N 3.35Å; L701-C703 PolarHBondContact O-N 2.99Å; C703-S705 VanDerWaalsContact C-N 3.32Å; C703-S705 PolarHBondContact O-N 3.44Å; C703-R706 WeakPolarHBondContact O-CB 3.3Å; C703-R706 PolarHBondContact O-N 3.22Å; C703-Y707 WeakPolarHBondContact O-CD2 3.09Å |
| 704 | A | 82.3 | Confident | 78 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I664 M675 L679 V700 L701 R706 Y707 D708 | I664-A704 HydrophobicContact CD1-CB 4.35Å; M675-A704 HydrophobicContact CE-CB 4.28Å; M675-A704 HydrophobicContact SD-CB 3.65Å; L679-A704 HydrophobicContact CD2-CB 3.81Å; V700-A704 WeakPolarHBondContact O-CB 3.42Å; V700-A704 PolarHBondContact O-N 3.47Å; L701-A704 PolarHBondContact O-N 3.43Å; A704-R706 PolarHBondContact O-N 3Å; A704-Y707 PolarHBondContact O-N 3.45Å; A704-D708 PolarHBondContact O-N 3.3Å |
| 705 | S | 76.2 | Confident | 77.6 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -21.7 | -179.6 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | L701 V702 C703 Y707 D708 L709 I742 | L701-S705 WeakPolarHBondContact O-CB 3.49Å; L701-S705 PolarHBondContact O-N 3.11Å; L701-S705 PolarHBondContact O-OG 2.86Å; V702-S705 PolarHBondContact O-N 3.38Å; V702-S705 PolarHBondContact O-OG 2.88Å; C703-S705 VanDerWaalsContact C-N 3.32Å; C703-S705 PolarHBondContact O-N 3.44Å; S705-Y707 VanDerWaalsContact C-N 3.26Å; S705-Y707 PolarHBondContact O-N 2.82Å; S705-D708 CarbonylContact O-C 3.6Å; S705-L709 WeakPolarHBondContact O-CA 3.32Å; S705-L709 PolarHBondContact O-N 3.34Å; S705-I742 WeakPolarHBondContact OG-CD1 3.16Å; S705-I742 WeakPolarHBondContact OG-CG1 3.35Å; S705-I742 WeakPolarHBondContact OG-CG2 3.28Å |
| 706 | R | 74 | Confident | 77.7 | Confident | 155 Ų | 155 | 37.1 Ų | 37.1 | 59% | 0.585 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.2 | 175 | -68.2 | 179.3 | 179.1 | -171.1 | 0.7 | 112.9 | C703 A704 | C703-R706 WeakPolarHBondContact O-CB 3.3Å; C703-R706 PolarHBondContact O-N 3.22Å; A704-R706 PolarHBondContact O-N 3Å |
| 707 | Y | 74.1 | Confident | 77.9 | Confident | 90 Ų | 90 | 37.1 Ų | 37.1 | 35% | 0.353 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -36.9 | 178.7 | -76.9 | -79 | 0 | 0 | 0 | 112.5 | I664 V665 K667 L672 C703 A704 S705 | I664-Y707 HydrophobicContact CG2-CD2 3.56Å; I664-Y707 HydrophobicContact CG2-CE2 3.53Å; I664-Y707 WeakPolarHBondContact O-CE2 3.46Å; I664-Y707 VanDerWaalsContact O-CZ 3.22Å; I664-Y707 PolarHBondContact O-OH 2.86Å; V665-Y707 PolarHBondContact O-OH 3.31Å; V665-Y707 VanDerWaalsContact O-OH 3.08Å; K667-Y707 HydrophobicContact CD-CE1 4.12Å; K667-Y707 HydrophobicContact CG-CE1 3.77Å; K667-Y707 VanDerWaalsContact CG-OH 3.28Å; K667-Y707 WeakPolarHBondContact CG-OH 3.45Å; L672-Y707 HydrophobicContact CD2-CG 4.46Å; C703-Y707 WeakPolarHBondContact O-CD2 3.09Å; A704-Y707 PolarHBondContact O-N 3.45Å; S705-Y707 VanDerWaalsContact C-N 3.26Å; S705-Y707 PolarHBondContact O-N 2.82Å |
| 708 | D | 73.2 | Confident | 77.8 | Confident | 68 Ų | 68 | 38.4 Ų | 38.4 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | trans | -135.7 | 95.4 | 176.7 | -178.3 | 4.1 | 0 | 0 | 0 | 109.3 | A704 S705 S710 L711 | A704-D708 PolarHBondContact O-N 3.3Å; S705-D708 CarbonylContact O-C 3.6Å; D708-S710 VanDerWaalsContact CG-OG 3.22Å; D708-S710 PolarHBondContact O-N 3.03Å; D708-S710 VanDerWaalsContact OD1-CB 3.27Å; D708-S710 WeakPolarHBondContact OD1-CB 3.46Å; D708-S710 PolarHBondContact OD1-N 2.92Å; D708-S710 PolarHBondContact OD1-OG 3.41Å; D708-S710 PolarHBondContact OD2-OG 3.06Å; D708-L711 HydrophobicContact CB-CD1 3.76Å; D708-L711 HydrophobicContact CB-CG 3.94Å; D708-L711 WeakPolarHBondContact O-CB 3.47Å; D708-L711 VanDerWaalsContact O-CD1 3.31Å; D708-L711 WeakPolarHBondContact O-CD1 3.22Å; D708-L711 WeakPolarHBondContact O-CG 3.37Å; D708-L711 PolarHBondContact O-N 3.34Å | ||
| 709 | L | 68.6 | Low | 77.8 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 19% | 0.194 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.5 | -179.3 | -72.9 | 90.7 | 0 | 0 | 0 | 113 | S705 L711 L712 L746 L749 Y753 | S705-L709 WeakPolarHBondContact O-CA 3.32Å; S705-L709 PolarHBondContact O-N 3.34Å; L709-L711 PolarHBondContact O-N 3.47Å; L709-L712 WeakPolarHBondContact O-CB 3.02Å; L709-L712 PolarHBondContact O-N 3.13Å; L709-L712 VanDerWaalsContact O-N 3.07Å; L709-L746 HydrophobicContact CD2-CD2 3.21Å; L709-L746 HydrophobicContact CG-CD2 4.28Å; L709-L749 HydrophobicContact CD1-CD1 3.98Å; L709-L749 HydrophobicContact CD2-CB 4.17Å; L709-L749 HydrophobicContact CD2-CD1 3.75Å; L709-Y753 HydrophobicContact CB-CE2 4.06Å; L709-Y753 WeakPolarHBondContact CB-OH 3.22Å; L709-Y753 HydrophobicContact CD2-CD2 4.27Å; L709-Y753 HydrophobicContact CD2-CE2 3.5Å; L709-Y753 VanDerWaalsContact CD2-CE2 3.5Å; L709-Y753 HydrophobicContact CG-CE2 4.47Å; L709-Y753 WeakPolarHBondContact O-CE1 3.38Å; L709-Y753 PolarHBondContact O-OH 3.4Å; L709-Y753 VanDerWaalsContact O-OH 3.11Å |
| 710 | S | 70.2 | Confident | 78.1 | Confident | 51 Ų | 51 | 38.4 Ų | 38.4 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -22.8 | 173.1 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | D708 L712 S713 E714 | D708-S710 VanDerWaalsContact CG-OG 3.22Å; D708-S710 PolarHBondContact O-N 3.03Å; D708-S710 VanDerWaalsContact OD1-CB 3.27Å; D708-S710 WeakPolarHBondContact OD1-CB 3.46Å; D708-S710 PolarHBondContact OD1-N 2.92Å; D708-S710 PolarHBondContact OD1-OG 3.41Å; D708-S710 PolarHBondContact OD2-OG 3.06Å; S710-L712 PolarHBondContact O-N 2.74Å; S710-S713 PolarHBondContact O-N 3.39Å; S710-S713 PolarHBondContact O-OG 2.99Å; S710-E714 PolarHBondContact O-N 2.87Å; S710-E714 VanDerWaalsContact O-N 3.14Å |
| 711 | L | 69.1 | Low | 78.2 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -28.8 | 173.8 | -62.2 | 173.5 | 0 | 0 | 0 | 113.3 | M675 L679 D708 L709 K715 M716 | M675-L711 HydrophobicContact CG-CD1 4.41Å; L679-L711 HydrophobicContact CD1-CD1 3.67Å; L679-L711 HydrophobicContact CD1-CD2 3.31Å; L679-L711 HydrophobicContact CD1-CG 4.06Å; L679-L711 HydrophobicContact CD2-CD1 4.35Å; D708-L711 HydrophobicContact CB-CD1 3.76Å; D708-L711 HydrophobicContact CB-CG 3.94Å; D708-L711 WeakPolarHBondContact O-CB 3.47Å; D708-L711 VanDerWaalsContact O-CD1 3.31Å; D708-L711 WeakPolarHBondContact O-CD1 3.22Å; D708-L711 WeakPolarHBondContact O-CG 3.37Å; D708-L711 PolarHBondContact O-N 3.34Å; L709-L711 PolarHBondContact O-N 3.47Å; L711-K715 HydrophobicContact CD2-CD 4.05Å; L711-K715 PolarHBondContact O-N 3.16Å; L711-M716 PolarHBondContact O-N 2.78Å |
| 712 | L | 68.7 | Low | 78.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -68.1 | -44.3 | 177.7 | -170 | 69.1 | 0 | 0 | 0 | 110.8 | L709 S710 M716 I717 I739 I742 L746 Y753 V757 | L709-L712 WeakPolarHBondContact O-CB 3.02Å; L709-L712 PolarHBondContact O-N 3.13Å; L709-L712 VanDerWaalsContact O-N 3.07Å; S710-L712 PolarHBondContact O-N 2.74Å; L712-M716 HydrophobicContact CD1-CB 4.37Å; L712-I717 WeakPolarHBondContact O-CG1 3.21Å; L712-I717 PolarHBondContact O-N 3.03Å; L712-I739 HydrophobicContact CD1-CG1 4.39Å; L712-I739 HydrophobicContact CD1-CG2 4.28Å; L712-I742 HydrophobicContact CD1-CB 4.02Å; L712-I742 HydrophobicContact CD1-CD1 3.79Å; L712-I742 HydrophobicContact CD1-CG2 3.8Å; L712-I742 HydrophobicContact CD2-CG2 4.17Å; L712-I742 HydrophobicContact CG-CG2 4.5Å; L712-L746 HydrophobicContact CD2-CD1 4.19Å; L712-Y753 HydrophobicContact CB-CD1 4.28Å; L712-Y753 HydrophobicContact CB-CE1 4.12Å; L712-Y753 HydrophobicContact CD2-CD1 3.6Å; L712-Y753 HydrophobicContact CD2-CE1 4.19Å; L712-Y753 HydrophobicContact CD2-CG 3.85Å; L712-Y753 HydrophobicContact CG-CD1 4.29Å; L712-V757 HydrophobicContact CD2-CG2 4.3Å |
| 713 | S | 69.5 | Low | 78.9 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -78 | -45.7 | -174.6 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | S710 | S710-S713 PolarHBondContact O-N 3.39Å; S710-S713 PolarHBondContact O-OG 2.99Å |
| 714 | E | 69.7 | Low | 79.2 | Confident | 160 Ų | 160 | 47.2 Ų | 47.2 | 75% | 0.748 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -88.2 | -42.3 | -174.1 | -75.2 | -170.3 | 162.1 | 0 | 0 | 113.2 | S710 | S710-E714 PolarHBondContact O-N 2.87Å; S710-E714 VanDerWaalsContact O-N 3.14Å |
| 715 | K | 77.7 | Confident | 79.6 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -94.6 | -53.9 | -173 | -84.6 | 179.5 | 172.5 | -175.6 | 0 | 112.8 | N676 L679 L711 G718 I719 | N676-K715 PolarHBondContact OD1-NZ 3.48Å; L679-K715 HydrophobicContact CD1-CD 4.19Å; L711-K715 HydrophobicContact CD2-CD 4.05Å; L711-K715 PolarHBondContact O-N 3.16Å; K715-G718 PolarHBondContact O-N 3.42Å; K715-I719 HydrophobicContact CB-CD1 4.42Å; K715-I719 WeakPolarHBondContact O-CB 3.4Å; K715-I719 VanDerWaalsContact O-CD1 3.3Å; K715-I719 WeakPolarHBondContact O-CD1 3.42Å; K715-I719 WeakPolarHBondContact O-CG1 3.45Å; K715-I719 PolarHBondContact O-N 2.82Å |
| 716 | M | 82.8 | Confident | 80.2 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -67.5 | -47.6 | -171.8 | -81.9 | -65.8 | -149.3 | 0 | 0 | 113.7 | L701 L711 L712 G718 I719 F720 V735 A738 I739 I742 | L701-M716 HydrophobicContact CB-CE 3.44Å; L701-M716 VanDerWaalsContact CB-CE 3.44Å; L701-M716 HydrophobicContact CD1-CE 3.55Å; L701-M716 HydrophobicContact CD2-CE 3.91Å; L701-M716 HydrophobicContact CG-CE 3.78Å; L711-M716 PolarHBondContact O-N 2.78Å; L712-M716 HydrophobicContact CD1-CB 4.37Å; M716-G718 VanDerWaalsContact C-N 3.29Å; M716-G718 PolarHBondContact O-N 3.32Å; M716-I719 PolarHBondContact O-N 3.36Å; M716-F720 WeakPolarHBondContact O-CB 3.42Å; M716-F720 PolarHBondContact O-N 3.17Å; M716-V735 HydrophobicContact SD-CG1 4.14Å; M716-A738 HydrophobicContact CE-CB 3.96Å; M716-I739 HydrophobicContact CB-CD1 4.39Å; M716-I739 HydrophobicContact CB-CG1 4.09Å; M716-I742 HydrophobicContact CE-CD1 4.08Å |
| 717 | I | 87.4 | Confident | 80.8 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.4 | -68.9 | -77.1 | 0 | 0 | 0 | 110.3 | L712 F720 V721 I739 V756 V757 P760 M761 | L712-I717 WeakPolarHBondContact O-CG1 3.21Å; L712-I717 PolarHBondContact O-N 3.03Å; I717-F720 WeakPolarHBondContact O-CB 3.13Å; I717-F720 PolarHBondContact O-N 3.46Å; I717-V721 HydrophobicContact CG2-CG2 4.36Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 3.46Å; I717-I739 HydrophobicContact CD1-CD1 4.16Å; I717-V756 HydrophobicContact CG1-CG1 4.38Å; I717-V757 HydrophobicContact CD1-CB 4.32Å; I717-V757 HydrophobicContact CD1-CG1 4.3Å; I717-V757 HydrophobicContact CD1-CG2 4.15Å; I717-P760 HydrophobicContact CD1-CG 4.47Å; I717-P760 HydrophobicContact CG2-CB 4.18Å; I717-P760 HydrophobicContact CG2-CG 3.86Å; I717-M761 HydrophobicContact CD1-CE 4.22Å |
| 718 | G | 86.8 | Confident | 81.3 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K715 M716 V721 N722 | K715-G718 PolarHBondContact O-N 3.42Å; M716-G718 VanDerWaalsContact C-N 3.29Å; M716-G718 PolarHBondContact O-N 3.32Å; G718-V721 PolarHBondContact O-N 3.27Å; G718-N722 VanDerWaalsContact O-CB 3.31Å; G718-N722 WeakPolarHBondContact O-CB 3.4Å; G718-N722 VanDerWaalsContact O-CG 3.23Å; G718-N722 PolarHBondContact O-N 3Å; G718-N722 PolarHBondContact O-ND2 3.43Å |
| 719 | I | 85 | Confident | 82.1 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176 | -69 | 157.9 | 0 | 0 | 0 | 110.4 | T683 K715 M716 N722 F723 V735 | T683-I719 HydrophobicContact CG2-CD1 3.72Å; T683-I719 HydrophobicContact CG2-CG1 4.23Å; T683-I719 HydrophobicContact CG2-CG2 3.84Å; K715-I719 HydrophobicContact CB-CD1 4.42Å; K715-I719 WeakPolarHBondContact O-CB 3.4Å; K715-I719 VanDerWaalsContact O-CD1 3.3Å; K715-I719 WeakPolarHBondContact O-CD1 3.42Å; K715-I719 WeakPolarHBondContact O-CG1 3.45Å; K715-I719 PolarHBondContact O-N 2.82Å; M716-I719 PolarHBondContact O-N 3.36Å; I719-N722 PolarHBondContact O-N 3.37Å; I719-F723 HydrophobicContact CG2-CD2 3.67Å; I719-F723 HydrophobicContact CG2-CE2 3.34Å; I719-F723 HydrophobicContact CG2-CZ 4.14Å; I719-F723 WeakPolarHBondContact O-CD2 3.46Å; I719-F723 PolarHBondContact O-N 3.38Å; I719-V735 HydrophobicContact CG2-CG1 4.39Å; I719-V735 HydrophobicContact CG2-CG2 3.91Å |
| 720 | F | 90.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 176.9 | 173.6 | -107.8 | 0 | 0 | 0 | 111.4 | M716 I717 N722 F723 V724 A732 V735 A736 I739 M761 V764 L773 | M716-F720 WeakPolarHBondContact O-CB 3.42Å; M716-F720 PolarHBondContact O-N 3.17Å; I717-F720 WeakPolarHBondContact O-CB 3.13Å; I717-F720 PolarHBondContact O-N 3.46Å; F720-N722 VanDerWaalsContact C-N 3.28Å; F720-N722 PolarHBondContact O-N 3.07Å; F720-F723 PolarHBondContact O-N 3.42Å; F720-V724 HydrophobicContact CD2-CG2 4.36Å; F720-V724 HydrophobicContact CE1-CG2 4.25Å; F720-V724 HydrophobicContact CE2-CG2 3.97Å; F720-V724 HydrophobicContact CZ-CG2 3.92Å; F720-V724 WeakPolarHBondContact O-CG2 3.5Å; F720-V724 PolarHBondContact O-N 3.08Å; F720-A732 HydrophobicContact CD2-CB 4.2Å; F720-A732 WeakPolarHBondContact CD2-O 3.35Å; F720-A732 HydrophobicContact CE2-CB 4.13Å; F720-V735 HydrophobicContact CB-CG1 3.83Å; F720-A736 HydrophobicContact CD2-CB 4.21Å; F720-A736 HydrophobicContact CE2-CB 3.9Å; F720-I739 HydrophobicContact CB-CD1 4.13Å; F720-M761 HydrophobicContact CD1-CE 3.71Å; F720-M761 HydrophobicContact CD1-SD 4.29Å; F720-M761 HydrophobicContact CD2-CE 4.35Å; F720-M761 HydrophobicContact CE1-CE 3.7Å; F720-M761 HydrophobicContact CE1-SD 3.64Å; F720-M761 HydrophobicContact CE2-CE 4.35Å; F720-M761 HydrophobicContact CE2-SD 4.4Å; F720-M761 HydrophobicContact CG-CE 4.04Å; F720-M761 HydrophobicContact CZ-CE 4.03Å; F720-M761 HydrophobicContact CZ-SD 3.71Å; F720-V764 HydrophobicContact CE1-CB 4.21Å; F720-V764 HydrophobicContact CE1-CG1 4.43Å; F720-V764 HydrophobicContact CE1-CG2 3.74Å; F720-V764 HydrophobicContact CZ-CB 4.25Å; F720-V764 HydrophobicContact CZ-CG1 4.01Å; F720-V764 HydrophobicContact CZ-CG2 4.16Å; F720-L773 HydrophobicContact CE2-CD1 3.91Å; F720-L773 HydrophobicContact CZ-CD1 4.15Å |
| 721 | V | 89.9 | Confident | 83.6 | Confident | 55 Ų | 55 | 53 Ų | 53 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | I717 G718 V724 S725 P760 | I717-V721 HydrophobicContact CG2-CG2 4.36Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 3.46Å; G718-V721 PolarHBondContact O-N 3.27Å; V721-V724 PolarHBondContact O-N 3.37Å; V721-S725 WeakPolarHBondContact O-CB 3.44Å; V721-S725 PolarHBondContact O-N 3.09Å; V721-S725 PolarHBondContact O-OG 2.98Å; V721-P760 HydrophobicContact CG2-CB 4.39Å |
| 722 | N | 88.6 | Confident | 84.6 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 175.9 | -79.1 | -16 | 0 | 0 | 0 | 112.4 | G718 I719 F720 S725 S726 | G718-N722 VanDerWaalsContact O-CB 3.31Å; G718-N722 WeakPolarHBondContact O-CB 3.4Å; G718-N722 VanDerWaalsContact O-CG 3.23Å; G718-N722 PolarHBondContact O-N 3Å; G718-N722 PolarHBondContact O-ND2 3.43Å; I719-N722 PolarHBondContact O-N 3.37Å; F720-N722 VanDerWaalsContact C-N 3.28Å; F720-N722 PolarHBondContact O-N 3.07Å; N722-S725 PolarHBondContact O-N 3.31Å; N722-S726 VanDerWaalsContact O-CB 3.29Å; N722-S726 WeakPolarHBondContact O-CB 3.45Å; N722-S726 PolarHBondContact O-N 3.28Å; N722-S726 PolarHBondContact O-OG 3.42Å |
| 723 | F | 89.2 | Confident | 85.6 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.6 | -74.9 | -40.6 | 0 | 0 | 0 | 112.4 | Q687 I719 F720 S726 S727 Q728 A732 V735 | Q687-F723 HydrophobicContact CG-CZ 4.32Å; I719-F723 HydrophobicContact CG2-CD2 3.67Å; I719-F723 HydrophobicContact CG2-CE2 3.34Å; I719-F723 HydrophobicContact CG2-CZ 4.14Å; I719-F723 WeakPolarHBondContact O-CD2 3.46Å; I719-F723 PolarHBondContact O-N 3.38Å; F720-F723 PolarHBondContact O-N 3.42Å; F723-S726 CarbonylContact O-C 3.59Å; F723-S726 PolarHBondContact O-N 3.12Å; F723-S727 PolarHBondContact O-N 3.31Å; F723-Q728 HydrophobicContact CB-CB 4.3Å; F723-Q728 HydrophobicContact CD1-CB 4.02Å; F723-Q728 HydrophobicContact CG-CB 4.48Å; F723-Q728 PolarHBondContact O-N 3.16Å; F723-A732 HydrophobicContact CB-CB 3.88Å; F723-V735 HydrophobicContact CD2-CG2 3.83Å; F723-V735 HydrophobicContact CE2-CG2 3.81Å |
| 724 | V | 90 | Very high | 86.5 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | F720 V721 S726 S727 A732 V764 L773 | F720-V724 HydrophobicContact CD2-CG2 4.36Å; F720-V724 HydrophobicContact CE1-CG2 4.25Å; F720-V724 HydrophobicContact CE2-CG2 3.97Å; F720-V724 HydrophobicContact CZ-CG2 3.92Å; F720-V724 WeakPolarHBondContact O-CG2 3.5Å; F720-V724 PolarHBondContact O-N 3.08Å; V721-V724 PolarHBondContact O-N 3.37Å; V724-S726 PolarHBondContact O-N 3.28Å; V724-S727 PolarHBondContact O-N 2.92Å; V724-S727 VanDerWaalsContact O-N 3.08Å; V724-A732 HydrophobicContact CG2-CB 3.75Å; V724-V764 HydrophobicContact CG1-CG1 4.04Å; V724-V764 HydrophobicContact CG1-CG2 4.07Å; V724-V764 HydrophobicContact CG2-CG1 4.06Å; V724-V764 HydrophobicContact CG2-CG2 4.24Å; V724-L773 HydrophobicContact CG1-CD2 4.29Å; V724-L773 HydrophobicContact CG2-CD1 4.26Å; V724-L773 HydrophobicContact CG2-CD2 4.04Å |
| 725 | S | 89.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.2 | -29.4 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | V721 N722 S727 | V721-S725 WeakPolarHBondContact O-CB 3.44Å; V721-S725 PolarHBondContact O-N 3.09Å; V721-S725 PolarHBondContact O-OG 2.98Å; N722-S725 PolarHBondContact O-N 3.31Å; S725-S727 VanDerWaalsContact C-N 3.29Å |
| 726 | S | 89 | Confident | 88 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.4 | 177 | -50.2 | 0 | 0 | 0 | 0 | 113.2 | N722 F723 V724 Q728 | N722-S726 VanDerWaalsContact O-CB 3.29Å; N722-S726 WeakPolarHBondContact O-CB 3.45Å; N722-S726 PolarHBondContact O-N 3.28Å; N722-S726 PolarHBondContact O-OG 3.42Å; F723-S726 CarbonylContact O-C 3.59Å; F723-S726 PolarHBondContact O-N 3.12Å; V724-S726 PolarHBondContact O-N 3.28Å; S726-Q728 PolarHBondContact O-N 2.9Å |
| 727 | S | 86.4 | Confident | 88.3 | Confident | 98 Ų | 98 | 45.8 Ų | 45.8 | 69% | 0.685 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 25.5 | -176.9 | -52.5 | 0 | 0 | 0 | 0 | 114.9 | F723 V724 S725 I729 | F723-S727 PolarHBondContact O-N 3.31Å; V724-S727 PolarHBondContact O-N 2.92Å; V724-S727 VanDerWaalsContact O-N 3.08Å; S725-S727 VanDerWaalsContact C-N 3.29Å; S727-I729 PolarHBondContact O-N 3.46Å |
| 728 | Q | 86.4 | Confident | 88.2 | Confident | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | trans | -91.1 | 73.2 | 175.6 | -65.9 | -178 | 14.3 | 0 | 0 | 110 | F723 S726 D730 S731 A732 | F723-Q728 HydrophobicContact CB-CB 4.3Å; F723-Q728 HydrophobicContact CD1-CB 4.02Å; F723-Q728 HydrophobicContact CG-CB 4.48Å; F723-Q728 PolarHBondContact O-N 3.16Å; S726-Q728 PolarHBondContact O-N 2.9Å; Q728-D730 PolarHBondContact O-N 3.48Å; Q728-S731 PolarHBondContact O-N 3.24Å; Q728-A732 PolarHBondContact O-N 3.2Å | ||
| 729 | I | 89 | Confident | 88.3 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | -170.1 | -66.4 | 162.8 | 0 | 0 | 0 | 112.1 | S727 S731 A732 V733 D770 L773 | S727-I729 PolarHBondContact O-N 3.46Å; I729-S731 VanDerWaalsContact C-N 3.32Å; I729-S731 PolarHBondContact O-N 3.32Å; I729-A732 WeakPolarHBondContact O-CB 3.46Å; I729-A732 PolarHBondContact O-N 3.12Å; I729-A732 VanDerWaalsContact O-N 3.12Å; I729-V733 HydrophobicContact CG2-CG2 4.31Å; I729-V733 WeakPolarHBondContact O-CG2 3.42Å; I729-V733 PolarHBondContact O-N 3.44Å; I729-D770 HydrophobicContact CD1-CB 3.72Å; I729-D770 HydrophobicContact CG1-CB 4.42Å; I729-D770 HydrophobicContact CG2-CB 4.16Å; I729-D770 WeakPolarHBondContact CG2-OD1 3.38Å; I729-L773 HydrophobicContact CG2-CB 4.16Å |
| 730 | D | 85.2 | Confident | 88.5 | Confident | 119 Ų | 119 | 42.5 Ų | 42.5 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.2 | -42.9 | -178.3 | -69.9 | -26.1 | 0 | 0 | 0 | 112 | Q728 V733 K734 | Q728-D730 PolarHBondContact O-N 3.48Å; D730-V733 PolarHBondContact O-N 2.78Å; D730-K734 VanDerWaalsContact O-CG 3.3Å; D730-K734 WeakPolarHBondContact O-CG 3.37Å; D730-K734 PolarHBondContact O-N 3.17Å |
| 731 | S | 84 | Confident | 88.3 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.1 | -52 | 0 | 0 | 0 | 0 | 111.7 | Q728 I729 V733 K734 V735 | Q728-S731 PolarHBondContact O-N 3.24Å; I729-S731 VanDerWaalsContact C-N 3.32Å; I729-S731 PolarHBondContact O-N 3.32Å; S731-V733 VanDerWaalsContact C-N 3.34Å; S731-V733 PolarHBondContact O-N 2.95Å; S731-K734 PolarHBondContact O-N 3.21Å; S731-V735 VanDerWaalsContact O-CG2 3.3Å; S731-V735 WeakPolarHBondContact O-CG2 3.48Å; S731-V735 PolarHBondContact O-N 2.96Å |
| 732 | A | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F720 F723 V724 Q728 I729 V735 A736 L773 | F720-A732 HydrophobicContact CD2-CB 4.2Å; F720-A732 WeakPolarHBondContact CD2-O 3.35Å; F720-A732 HydrophobicContact CE2-CB 4.13Å; F723-A732 HydrophobicContact CB-CB 3.88Å; V724-A732 HydrophobicContact CG2-CB 3.75Å; Q728-A732 PolarHBondContact O-N 3.2Å; I729-A732 WeakPolarHBondContact O-CB 3.46Å; I729-A732 PolarHBondContact O-N 3.12Å; I729-A732 VanDerWaalsContact O-N 3.12Å; A732-V735 PolarHBondContact O-N 3.31Å; A732-A736 WeakPolarHBondContact O-CB 3.4Å; A732-A736 PolarHBondContact O-N 3.29Å; A732-L773 HydrophobicContact CB-CD1 3.97Å |
| 733 | V | 91 | Very high | 87.4 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I729 D730 S731 V735 A736 E737 L773 | I729-V733 HydrophobicContact CG2-CG2 4.31Å; I729-V733 WeakPolarHBondContact O-CG2 3.42Å; I729-V733 PolarHBondContact O-N 3.44Å; D730-V733 PolarHBondContact O-N 2.78Å; S731-V733 VanDerWaalsContact C-N 3.34Å; S731-V733 PolarHBondContact O-N 2.95Å; V733-V735 VanDerWaalsContact C-N 3.33Å; V733-V735 PolarHBondContact O-N 3.16Å; V733-A736 PolarHBondContact O-N 3.44Å; V733-E737 PolarHBondContact O-N 2.74Å; V733-L773 HydrophobicContact CG2-CB 4.34Å; V733-L773 HydrophobicContact CG2-CD1 4.2Å |
| 734 | K | 88 | Confident | 87.1 | Confident | 27 Ų | 27 | 41.1 Ų | 41.1 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.7 | -70 | 171.8 | -175.8 | 179.5 | 0 | 112.2 | L686 N688 Y694 I698 D730 S731 E737 A738 | L686-K734 WeakPolarHBondContact O-CD 3.46Å; L686-K734 PolarHBondContact O-NZ 3.29Å; N688-K734 PolarHBondContact O-NZ 3.3Å; Y694-K734 HydrophobicContact CD1-CD 4.16Å; Y694-K734 HydrophobicContact CD2-CD 3.82Å; Y694-K734 HydrophobicContact CD2-CG 3.96Å; Y694-K734 HydrophobicContact CE2-CD 4.27Å; Y694-K734 HydrophobicContact CE2-CG 4.09Å; Y694-K734 HydrophobicContact CG-CD 3.83Å; Y694-K734 HydrophobicContact CG-CG 4.47Å; I698-K734 HydrophobicContact CD1-CB 4.46Å; D730-K734 VanDerWaalsContact O-CG 3.3Å; D730-K734 WeakPolarHBondContact O-CG 3.37Å; D730-K734 PolarHBondContact O-N 3.17Å; S731-K734 PolarHBondContact O-N 3.21Å; K734-E737 PolarHBondContact O-N 3.45Å; K734-A738 PolarHBondContact O-N 3.02Å; K734-A738 VanDerWaalsContact O-N 3.12Å |
| 735 | V | 88 | Confident | 86.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | 175.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | L686 M716 I719 F720 F723 S731 A732 V733 E737 A738 I739 | L686-V735 HydrophobicContact CD1-CG2 3.62Å; M716-V735 HydrophobicContact SD-CG1 4.14Å; I719-V735 HydrophobicContact CG2-CG1 4.39Å; I719-V735 HydrophobicContact CG2-CG2 3.91Å; F720-V735 HydrophobicContact CB-CG1 3.83Å; F723-V735 HydrophobicContact CD2-CG2 3.83Å; F723-V735 HydrophobicContact CE2-CG2 3.81Å; S731-V735 VanDerWaalsContact O-CG2 3.3Å; S731-V735 WeakPolarHBondContact O-CG2 3.48Å; S731-V735 PolarHBondContact O-N 2.96Å; A732-V735 PolarHBondContact O-N 3.31Å; V733-V735 VanDerWaalsContact C-N 3.33Å; V733-V735 PolarHBondContact O-N 3.16Å; V735-E737 VanDerWaalsContact C-N 3.27Å; V735-E737 PolarHBondContact O-N 3.31Å; V735-A738 WeakPolarHBondContact O-CB 3.5Å; V735-A738 PolarHBondContact O-N 3.13Å; V735-A738 VanDerWaalsContact O-N 3.11Å; V735-I739 HydrophobicContact CG1-CD1 4.04Å; V735-I739 HydrophobicContact CG1-CG1 4.46Å; V735-I739 WeakPolarHBondContact O-CG1 2.98Å; V735-I739 PolarHBondContact O-N 3.3Å |
| 736 | A | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F720 A732 V733 A738 I739 S740 S776 T780 | F720-A736 HydrophobicContact CD2-CB 4.21Å; F720-A736 HydrophobicContact CE2-CB 3.9Å; A732-A736 WeakPolarHBondContact O-CB 3.4Å; A732-A736 PolarHBondContact O-N 3.29Å; V733-A736 PolarHBondContact O-N 3.44Å; A736-A738 PolarHBondContact O-N 3.41Å; A736-I739 PolarHBondContact O-N 3.26Å; A736-S740 WeakPolarHBondContact O-CB 3.19Å; A736-S740 PolarHBondContact O-N 2.69Å; A736-S776 VanDerWaalsContact CB-OG 3.31Å; A736-S776 WeakPolarHBondContact CB-OG 3.24Å; A736-T780 PolarHBondContact O-OG1 2.76Å |
| 737 | E | 88.9 | Confident | 84.8 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 172.8 | -175.4 | 164.2 | -164 | 0 | 0 | 112.4 | V733 K734 V735 S740 L741 | V733-E737 PolarHBondContact O-N 2.74Å; K734-E737 PolarHBondContact O-N 3.45Å; V735-E737 VanDerWaalsContact C-N 3.27Å; V735-E737 PolarHBondContact O-N 3.31Å; E737-S740 WeakPolarHBondContact O-CB 3.36Å; E737-S740 PolarHBondContact O-N 3.38Å; E737-L741 HydrophobicContact CG-CD1 4.33Å; E737-L741 WeakPolarHBondContact O-CG 3.43Å; E737-L741 PolarHBondContact O-N 3.34Å |
| 738 | A | 85.4 | Confident | 84 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I698 M716 K734 V735 A736 S740 L741 I742 | I698-A738 HydrophobicContact CG1-CB 4.26Å; I698-A738 HydrophobicContact CG2-CB 3.92Å; M716-A738 HydrophobicContact CE-CB 3.96Å; K734-A738 PolarHBondContact O-N 3.02Å; K734-A738 VanDerWaalsContact O-N 3.12Å; V735-A738 WeakPolarHBondContact O-CB 3.5Å; V735-A738 PolarHBondContact O-N 3.13Å; V735-A738 VanDerWaalsContact O-N 3.11Å; A736-A738 PolarHBondContact O-N 3.41Å; A738-S740 VanDerWaalsContact C-N 3.29Å; A738-S740 PolarHBondContact O-N 3.37Å; A738-L741 PolarHBondContact O-N 2.94Å; A738-I742 WeakPolarHBondContact O-CG1 3.24Å; A738-I742 PolarHBondContact O-N 3.28Å |
| 739 | I | 88.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 177.2 | -66.1 | 166.8 | 0 | 0 | 0 | 110.8 | L712 M716 I717 F720 V735 A736 I742 G743 V757 M761 T780 | L712-I739 HydrophobicContact CD1-CG1 4.39Å; L712-I739 HydrophobicContact CD1-CG2 4.28Å; M716-I739 HydrophobicContact CB-CD1 4.39Å; M716-I739 HydrophobicContact CB-CG1 4.09Å; I717-I739 HydrophobicContact CD1-CD1 4.16Å; F720-I739 HydrophobicContact CB-CD1 4.13Å; V735-I739 HydrophobicContact CG1-CD1 4.04Å; V735-I739 HydrophobicContact CG1-CG1 4.46Å; V735-I739 WeakPolarHBondContact O-CG1 2.98Å; V735-I739 PolarHBondContact O-N 3.3Å; A736-I739 PolarHBondContact O-N 3.26Å; I739-I742 PolarHBondContact O-N 3.37Å; I739-G743 PolarHBondContact O-N 3.35Å; I739-V757 HydrophobicContact CG2-CG1 3.85Å; I739-V757 HydrophobicContact CG2-CG2 4.32Å; I739-M761 HydrophobicContact CD1-CE 3.59Å; I739-M761 HydrophobicContact CG2-CE 4.31Å; I739-T780 HydrophobicContact CB-CG2 4.05Å; I739-T780 HydrophobicContact CG2-CG2 3.66Å |
| 740 | S | 89.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | A736 E737 A738 G743 K744 S783 | A736-S740 WeakPolarHBondContact O-CB 3.19Å; A736-S740 PolarHBondContact O-N 2.69Å; E737-S740 WeakPolarHBondContact O-CB 3.36Å; E737-S740 PolarHBondContact O-N 3.38Å; A738-S740 VanDerWaalsContact C-N 3.29Å; A738-S740 PolarHBondContact O-N 3.37Å; S740-G743 PolarHBondContact O-N 3.16Å; S740-K744 PolarHBondContact O-N 3.07Å; S740-S783 WeakPolarHBondContact OG-CB 3.48Å; S740-S783 PolarHBondContact OG-OG 3.42Å |
| 741 | L | 85.6 | Confident | 82.4 | Confident | 66 Ų | 66 | 31.8 Ų | 31.8 | 35% | 0.346 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67 | -36.7 | 177.2 | -72 | 169.9 | 0 | 0 | 0 | 112.6 | I698 V702 E737 A738 K744 S745 | I698-L741 HydrophobicContact CG2-CD1 3.64Å; V702-L741 HydrophobicContact CG2-CB 3.65Å; V702-L741 HydrophobicContact CG2-CD1 4.34Å; E737-L741 HydrophobicContact CG-CD1 4.33Å; E737-L741 WeakPolarHBondContact O-CG 3.43Å; E737-L741 PolarHBondContact O-N 3.34Å; A738-L741 PolarHBondContact O-N 2.94Å; L741-K744 PolarHBondContact O-N 3.26Å; L741-S745 PolarHBondContact O-N 3.08Å |
| 742 | I | 80.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 172.4 | -62.4 | 168.7 | 0 | 0 | 0 | 109.3 | V702 S705 L712 M716 A738 I739 K744 S745 L746 | V702-I742 HydrophobicContact CB-CG1 4.27Å; V702-I742 HydrophobicContact CG1-CG1 4.4Å; V702-I742 HydrophobicContact CG2-CG1 3.92Å; S705-I742 WeakPolarHBondContact OG-CD1 3.16Å; S705-I742 WeakPolarHBondContact OG-CG1 3.35Å; S705-I742 WeakPolarHBondContact OG-CG2 3.28Å; L712-I742 HydrophobicContact CD1-CB 4.02Å; L712-I742 HydrophobicContact CD1-CD1 3.79Å; L712-I742 HydrophobicContact CD1-CG2 3.8Å; L712-I742 HydrophobicContact CD2-CG2 4.17Å; L712-I742 HydrophobicContact CG-CG2 4.5Å; M716-I742 HydrophobicContact CE-CD1 4.08Å; A738-I742 WeakPolarHBondContact O-CG1 3.24Å; A738-I742 PolarHBondContact O-N 3.28Å; I739-I742 PolarHBondContact O-N 3.37Å; I742-K744 VanDerWaalsContact C-N 3.27Å; I742-K744 PolarHBondContact O-N 2.95Å; I742-S745 CarbonylContact O-C 3.54Å; I742-S745 WeakPolarHBondContact O-CA 3.49Å; I742-S745 PolarHBondContact O-N 3.01Å; I742-S745 PolarHBondContact O-OG 2.87Å; I742-L746 HydrophobicContact CG2-CD2 4.33Å; I742-L746 PolarHBondContact O-N 3.45Å |
| 743 | G | 80.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -49.2 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | I739 S740 S745 L746 E787 | I739-G743 PolarHBondContact O-N 3.35Å; S740-G743 PolarHBondContact O-N 3.16Å; G743-S745 PolarHBondContact O-N 3.43Å; G743-L746 PolarHBondContact O-N 2.95Å; G743-E787 WeakPolarHBondContact O-CG 3.38Å |
| 744 | K | 81.9 | Confident | 81.3 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.4 | 175.6 | -73.7 | 178.1 | -176.1 | 170.9 | 0 | 114.3 | S740 L741 I742 S783 | S740-K744 PolarHBondContact O-N 3.07Å; L741-K744 PolarHBondContact O-N 3.26Å; I742-K744 VanDerWaalsContact C-N 3.27Å; I742-K744 PolarHBondContact O-N 2.95Å; K744-S783 WeakPolarHBondContact CE-OG 3.43Å |
| 745 | S | 75.4 | Confident | 81 | Confident | 37 Ų | 37 | 42 Ų | 42 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -2.3 | -178.9 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | L741 I742 G743 | L741-S745 PolarHBondContact O-N 3.08Å; I742-S745 CarbonylContact O-C 3.54Å; I742-S745 WeakPolarHBondContact O-CA 3.49Å; I742-S745 PolarHBondContact O-N 3.01Å; I742-S745 PolarHBondContact O-OG 2.87Å; G743-S745 PolarHBondContact O-N 3.43Å |
| 746 | L | 71.5 | Confident | 80.9 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | trans | -69.7 | -30.1 | -178.3 | -69.9 | 176.6 | 0 | 0 | 0 | 113.2 | L709 L712 I742 G743 D748 L749 A750 Y753 | L709-L746 HydrophobicContact CD2-CD2 3.21Å; L709-L746 HydrophobicContact CG-CD2 4.28Å; L712-L746 HydrophobicContact CD2-CD1 4.19Å; I742-L746 HydrophobicContact CG2-CD2 4.33Å; I742-L746 PolarHBondContact O-N 3.45Å; G743-L746 PolarHBondContact O-N 2.95Å; L746-D748 PolarHBondContact O-N 3.28Å; L746-L749 WeakPolarHBondContact O-CB 3.3Å; L746-L749 PolarHBondContact O-N 3Å; L746-A750 HydrophobicContact CB-CB 3.79Å; L746-A750 HydrophobicContact CD1-CB 4.29Å; L746-Y753 HydrophobicContact CD1-CD2 4.15Å; L746-Y753 HydrophobicContact CD1-CG 4.26Å; L746-Y753 HydrophobicContact CD2-CD2 4.16Å; L746-Y753 HydrophobicContact CD2-CE2 4.45Å | ||
| 747 | G | 73.2 | Confident | 80.7 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | 50.2 | -126.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L749 A750 | G747-L749 PolarHBondContact O-N 3.08Å; G747-L749 VanDerWaalsContact O-N 3.11Å; G747-A750 WeakPolarHBondContact O-CB 3.43Å; G747-A750 PolarHBondContact O-N 3.03Å |
| 748 | D | 70.5 | Confident | 80.8 | Confident | 141 Ų | 141 | 40.1 Ų | 40.1 | 75% | 0.754 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -63.3 | -16.6 | -178.3 | -66.1 | -34.8 | 0 | 0 | 0 | 114.8 | L746 A750 P751 | L746-D748 PolarHBondContact O-N 3.28Å; D748-A750 VanDerWaalsContact C-N 3.34Å; D748-P751 VanDerWaalsContact O-CD 3.32Å; D748-P751 WeakPolarHBondContact O-CD 3.26Å |
| 749 | L | 74.4 | Confident | 81 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -82.4 | -12.6 | 176.7 | -65 | 170.4 | 0 | 0 | 0 | 113 | L709 L746 G747 H752 | L709-L749 HydrophobicContact CD1-CD1 3.98Å; L709-L749 HydrophobicContact CD2-CB 4.17Å; L709-L749 HydrophobicContact CD2-CD1 3.75Å; L746-L749 WeakPolarHBondContact O-CB 3.3Å; L746-L749 PolarHBondContact O-N 3Å; G747-L749 PolarHBondContact O-N 3.08Å; G747-L749 VanDerWaalsContact O-N 3.11Å; L749-H752 PolarHBondContact O-N 2.99Å |
| 750 | A | 75.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54 | -37.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L746 G747 D748 H752 Y753 I754 E787 G788 | L746-A750 HydrophobicContact CB-CB 3.79Å; L746-A750 HydrophobicContact CD1-CB 4.29Å; G747-A750 WeakPolarHBondContact O-CB 3.43Å; G747-A750 PolarHBondContact O-N 3.03Å; D748-A750 VanDerWaalsContact C-N 3.34Å; A750-H752 VanDerWaalsContact C-N 3.29Å; A750-H752 PolarHBondContact O-N 3.43Å; A750-Y753 PolarHBondContact O-N 3.13Å; A750-I754 PolarHBondContact O-N 3.47Å; A750-E787 HydrophobicContact CB-CB 4.04Å; A750-G788 VanDerWaalsContact CB-CA 3.43Å; A750-G788 VanDerWaalsContact CB-N 3.31Å |
| 751 | P | 77 | Confident | 81.3 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 24% | 0.24 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -36.6 | -179.9 | -26.8 | 36.3 | 0 | 0 | 0 | 114.4 | D748 Y753 I754 K791 | D748-P751 VanDerWaalsContact O-CD 3.32Å; D748-P751 WeakPolarHBondContact O-CD 3.26Å; P751-Y753 PolarHBondContact O-N 2.97Å; P751-I754 PolarHBondContact O-N 3.16Å; P751-K791 HydrophobicContact CG-CB 4.39Å |
| 752 | H | 77.1 | Confident | 81.6 | Confident | 153 Ų | 153 | 41.3 Ų | 41.3 | 71% | 0.708 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.1 | -23.2 | 179.8 | -89.3 | -59 | 0 | 0 | 0 | 113.8 | L749 A750 | L749-H752 PolarHBondContact O-N 2.99Å; A750-H752 VanDerWaalsContact C-N 3.29Å; A750-H752 PolarHBondContact O-N 3.43Å |
| 753 | Y | 80.4 | Confident | 82.2 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -100.2 | -10.2 | -176.8 | -69.6 | -79.9 | 0 | 0 | 0 | 113.2 | L709 L712 L746 A750 P751 D755 V756 V757 | L709-Y753 HydrophobicContact CB-CE2 4.06Å; L709-Y753 WeakPolarHBondContact CB-OH 3.22Å; L709-Y753 HydrophobicContact CD2-CD2 4.27Å; L709-Y753 HydrophobicContact CD2-CE2 3.5Å; L709-Y753 VanDerWaalsContact CD2-CE2 3.5Å; L709-Y753 HydrophobicContact CG-CE2 4.47Å; L709-Y753 WeakPolarHBondContact O-CE1 3.38Å; L709-Y753 PolarHBondContact O-OH 3.4Å; L709-Y753 VanDerWaalsContact O-OH 3.11Å; L712-Y753 HydrophobicContact CB-CD1 4.28Å; L712-Y753 HydrophobicContact CB-CE1 4.12Å; L712-Y753 HydrophobicContact CD2-CD1 3.6Å; L712-Y753 HydrophobicContact CD2-CE1 4.19Å; L712-Y753 HydrophobicContact CD2-CG 3.85Å; L712-Y753 HydrophobicContact CG-CD1 4.29Å; L746-Y753 HydrophobicContact CD1-CD2 4.15Å; L746-Y753 HydrophobicContact CD1-CG 4.26Å; L746-Y753 HydrophobicContact CD2-CD2 4.16Å; L746-Y753 HydrophobicContact CD2-CE2 4.45Å; A750-Y753 PolarHBondContact O-N 3.13Å; P751-Y753 PolarHBondContact O-N 2.97Å; Y753-D755 VanDerWaalsContact C-N 3.3Å; Y753-D755 PolarHBondContact O-N 3.41Å; Y753-V756 PolarHBondContact O-N 3.38Å; Y753-V756 VanDerWaalsContact O-N 3.13Å; Y753-V757 WeakPolarHBondContact O-CB 3.45Å; Y753-V757 WeakPolarHBondContact O-CG2 3.16Å; Y753-V757 PolarHBondContact O-N 3.33Å |
| 754 | I | 84.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 172.9 | -71.8 | 174.7 | 0 | 0 | 0 | 109.8 | A750 P751 V756 V757 V758 V784 M785 F795 | A750-I754 PolarHBondContact O-N 3.47Å; P751-I754 PolarHBondContact O-N 3.16Å; I754-V756 PolarHBondContact O-N 3.01Å; I754-V757 PolarHBondContact O-N 3.14Å; I754-V758 HydrophobicContact CG2-CG2 3.95Å; I754-V758 VanDerWaalsContact O-CB 3.28Å; I754-V758 WeakPolarHBondContact O-CB 3.33Å; I754-V758 WeakPolarHBondContact O-CG2 3.37Å; I754-V758 PolarHBondContact O-N 2.94Å; I754-V784 HydrophobicContact CG1-CG1 4.04Å; I754-M785 HydrophobicContact CB-SD 4.32Å; I754-M785 HydrophobicContact CD1-CE 4.4Å; I754-M785 HydrophobicContact CD1-SD 3.74Å; I754-M785 HydrophobicContact CG1-SD 3.79Å; I754-M785 HydrophobicContact CG2-SD 3.6Å; I754-F795 HydrophobicContact CG2-CD2 4.2Å; I754-F795 HydrophobicContact CG2-CE2 4.35Å |
| 755 | D | 82.4 | Confident | 83.4 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -18.3 | -178.8 | -64.7 | -28.9 | 0 | 0 | 0 | 113.4 | Y753 P759 F795 | Y753-D755 VanDerWaalsContact C-N 3.3Å; Y753-D755 PolarHBondContact O-N 3.41Å; D755-P759 WeakPolarHBondContact O-CD 3.02Å; D755-P759 WeakPolarHBondContact O-CG 3.39Å; D755-F795 WeakPolarHBondContact OD1-CE2 3.48Å |
| 756 | V | 85.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 28% | 0.279 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -92.3 | -41.4 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | I717 Y753 I754 P760 | I717-V756 HydrophobicContact CG1-CG1 4.38Å; Y753-V756 PolarHBondContact O-N 3.38Å; Y753-V756 VanDerWaalsContact O-N 3.13Å; I754-V756 PolarHBondContact O-N 3.01Å; V756-P760 WeakPolarHBondContact O-CD 3.39Å; V756-P760 VanDerWaalsContact O-CG 3.3Å; V756-P760 WeakPolarHBondContact O-CG 3.36Å |
| 757 | V | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -89.5 | -40.2 | -172 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | L712 I717 I739 Y753 I754 P760 M761 T780 V784 | L712-V757 HydrophobicContact CD2-CG2 4.3Å; I717-V757 HydrophobicContact CD1-CB 4.32Å; I717-V757 HydrophobicContact CD1-CG1 4.3Å; I717-V757 HydrophobicContact CD1-CG2 4.15Å; I739-V757 HydrophobicContact CG2-CG1 3.85Å; I739-V757 HydrophobicContact CG2-CG2 4.32Å; Y753-V757 WeakPolarHBondContact O-CB 3.45Å; Y753-V757 WeakPolarHBondContact O-CG2 3.16Å; Y753-V757 PolarHBondContact O-N 3.33Å; I754-V757 PolarHBondContact O-N 3.14Å; V757-P760 WeakPolarHBondContact O-CD 3.39Å; V757-M761 HydrophobicContact CG1-CE 4.45Å; V757-M761 HydrophobicContact CG1-CG 3.94Å; V757-M761 WeakPolarHBondContact O-CB 3.28Å; V757-M761 WeakPolarHBondContact O-CG 3.47Å; V757-M761 PolarHBondContact O-N 3.18Å; V757-T780 HydrophobicContact CG1-CG2 4.38Å; V757-V784 HydrophobicContact CG1-CG2 4.17Å |
| 758 | V | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | -171.9 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | I754 M761 L762 I781 M785 F795 | I754-V758 HydrophobicContact CG2-CG2 3.95Å; I754-V758 VanDerWaalsContact O-CB 3.28Å; I754-V758 WeakPolarHBondContact O-CB 3.33Å; I754-V758 WeakPolarHBondContact O-CG2 3.37Å; I754-V758 PolarHBondContact O-N 2.94Å; V758-M761 PolarHBondContact O-N 3.37Å; V758-L762 HydrophobicContact CG1-CD1 3.61Å; V758-L762 HydrophobicContact CG1-CG 4Å; V758-L762 WeakPolarHBondContact O-CB 3.36Å; V758-L762 WeakPolarHBondContact O-CG 3.35Å; V758-L762 PolarHBondContact O-N 3.49Å; V758-I781 HydrophobicContact CG1-CG2 4.49Å; V758-I781 HydrophobicContact CG2-CG2 4.2Å; V758-M785 HydrophobicContact CG2-CG 4.47Å; V758-M785 HydrophobicContact CG2-SD 3.98Å; V758-F795 HydrophobicContact CB-CD2 4.34Å; V758-F795 HydrophobicContact CG1-CB 4.27Å; V758-F795 HydrophobicContact CG1-CD2 4.05Å; V758-F795 HydrophobicContact CG1-CG 4.06Å |
| 759 | P | 90 | Very high | 86.5 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | -176.9 | -19.6 | 30.8 | 0 | 0 | 0 | 114.1 | D755 M761 L762 S763 F795 | D755-P759 WeakPolarHBondContact O-CD 3.02Å; D755-P759 WeakPolarHBondContact O-CG 3.39Å; P759-M761 PolarHBondContact O-N 3.07Å; P759-L762 PolarHBondContact O-N 3.36Å; P759-S763 WeakPolarHBondContact O-CB 3.43Å; P759-S763 PolarHBondContact O-N 3.46Å; P759-F795 HydrophobicContact CG-CE1 4.36Å; P759-F795 HydrophobicContact CG-CZ 3.94Å |
| 760 | P | 91.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 20% | 0.195 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175 | -23.5 | 33.3 | 0 | 0 | 0 | 112.8 | I717 V721 V756 V757 S763 V764 | I717-P760 HydrophobicContact CD1-CG 4.47Å; I717-P760 HydrophobicContact CG2-CB 4.18Å; I717-P760 HydrophobicContact CG2-CG 3.86Å; V721-P760 HydrophobicContact CG2-CB 4.39Å; V756-P760 WeakPolarHBondContact O-CD 3.39Å; V756-P760 VanDerWaalsContact O-CG 3.3Å; V756-P760 WeakPolarHBondContact O-CG 3.36Å; V757-P760 WeakPolarHBondContact O-CD 3.39Å; P760-S763 PolarHBondContact O-N 2.85Å; P760-V764 WeakPolarHBondContact O-CG2 3.39Å; P760-V764 PolarHBondContact O-N 3.28Å |
| 761 | M | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | -179.4 | -66.6 | -70.3 | 163.8 | 0 | 0 | 111.9 | I717 F720 I739 V757 V758 P759 V764 Y765 C777 T780 I781 | I717-M761 HydrophobicContact CD1-CE 4.22Å; F720-M761 HydrophobicContact CD1-CE 3.71Å; F720-M761 HydrophobicContact CD1-SD 4.29Å; F720-M761 HydrophobicContact CD2-CE 4.35Å; F720-M761 HydrophobicContact CE1-CE 3.7Å; F720-M761 HydrophobicContact CE1-SD 3.64Å; F720-M761 HydrophobicContact CE2-CE 4.35Å; F720-M761 HydrophobicContact CE2-SD 4.4Å; F720-M761 HydrophobicContact CG-CE 4.04Å; F720-M761 HydrophobicContact CZ-CE 4.03Å; F720-M761 HydrophobicContact CZ-SD 3.71Å; I739-M761 HydrophobicContact CD1-CE 3.59Å; I739-M761 HydrophobicContact CG2-CE 4.31Å; V757-M761 HydrophobicContact CG1-CE 4.45Å; V757-M761 HydrophobicContact CG1-CG 3.94Å; V757-M761 WeakPolarHBondContact O-CB 3.28Å; V757-M761 WeakPolarHBondContact O-CG 3.47Å; V757-M761 PolarHBondContact O-N 3.18Å; V758-M761 PolarHBondContact O-N 3.37Å; P759-M761 PolarHBondContact O-N 3.07Å; M761-V764 PolarHBondContact O-N 2.88Å; M761-Y765 WeakPolarHBondContact O-CB 3.4Å; M761-Y765 PolarHBondContact O-N 3.23Å; M761-C777 HydrophobicContact CB-CB 4.42Å; M761-C777 HydrophobicContact SD-CB 4.45Å; M761-T780 HydrophobicContact CE-CG2 4Å; M761-T780 HydrophobicContact CG-CG2 4.48Å; M761-T780 HydrophobicContact SD-CG2 4.13Å; M761-I781 HydrophobicContact CB-CD1 3.74Å; M761-I781 HydrophobicContact CB-CG1 3.6Å; M761-I781 HydrophobicContact CG-CG1 4.33Å |
| 762 | L | 91.7 | Very high | 88.9 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 174.2 | -76.3 | 178.2 | 0 | 0 | 0 | 111.9 | V758 P759 V764 Y765 L766 I781 V802 | V758-L762 HydrophobicContact CG1-CD1 3.61Å; V758-L762 HydrophobicContact CG1-CG 4Å; V758-L762 WeakPolarHBondContact O-CB 3.36Å; V758-L762 WeakPolarHBondContact O-CG 3.35Å; V758-L762 PolarHBondContact O-N 3.49Å; P759-L762 PolarHBondContact O-N 3.36Å; L762-V764 VanDerWaalsContact C-N 3.34Å; L762-V764 PolarHBondContact O-N 2.97Å; L762-Y765 PolarHBondContact O-N 3.02Å; L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 3.26Å; L762-I781 HydrophobicContact CD2-CD1 3.74Å; L762-I781 HydrophobicContact CG-CD1 3.89Å; L762-V802 HydrophobicContact CD2-CG2 4.07Å |
| 763 | S | 92.4 | Very high | 89.7 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 111 | P759 P760 L766 S767 | P759-S763 WeakPolarHBondContact O-CB 3.43Å; P759-S763 PolarHBondContact O-N 3.46Å; P760-S763 PolarHBondContact O-N 2.85Å; S763-L766 PolarHBondContact O-N 3.18Å; S763-S767 PolarHBondContact O-N 3.49Å; S763-S767 VanDerWaalsContact O-N 3.15Å; S763-S767 PolarHBondContact O-OG 3.23Å |
| 764 | V | 93.9 | Very high | 90.4 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | F720 V724 P760 M761 L762 L766 S767 A768 L773 | F720-V764 HydrophobicContact CE1-CB 4.21Å; F720-V764 HydrophobicContact CE1-CG1 4.43Å; F720-V764 HydrophobicContact CE1-CG2 3.74Å; F720-V764 HydrophobicContact CZ-CB 4.25Å; F720-V764 HydrophobicContact CZ-CG1 4.01Å; F720-V764 HydrophobicContact CZ-CG2 4.16Å; V724-V764 HydrophobicContact CG1-CG1 4.04Å; V724-V764 HydrophobicContact CG1-CG2 4.07Å; V724-V764 HydrophobicContact CG2-CG1 4.06Å; V724-V764 HydrophobicContact CG2-CG2 4.24Å; P760-V764 WeakPolarHBondContact O-CG2 3.39Å; P760-V764 PolarHBondContact O-N 3.28Å; M761-V764 PolarHBondContact O-N 2.88Å; L762-V764 VanDerWaalsContact C-N 3.34Å; L762-V764 PolarHBondContact O-N 2.97Å; V764-L766 VanDerWaalsContact C-N 3.25Å; V764-L766 PolarHBondContact O-N 2.82Å; V764-S767 PolarHBondContact O-N 3.48Å; V764-S767 PolarHBondContact O-OG 2.95Å; V764-A768 HydrophobicContact CG1-CB 4.3Å; V764-A768 WeakPolarHBondContact O-CB 3.33Å; V764-A768 PolarHBondContact O-N 2.88Å; V764-L773 HydrophobicContact CG1-CD1 4.22Å; V764-L773 HydrophobicContact CG1-CD2 3.76Å; V764-L773 HydrophobicContact CG1-CG 3.84Å |
| 765 | Y | 93.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -40.4 | 175.8 | 168.6 | -94.6 | 0 | 0 | 0 | 112.5 | M761 L762 R774 L778 V802 V815 | M761-Y765 WeakPolarHBondContact O-CB 3.4Å; M761-Y765 PolarHBondContact O-N 3.23Å; L762-Y765 PolarHBondContact O-N 3.02Å; Y765-R774 HydrophobicContact CD2-CB 3.84Å; Y765-R774 HydrophobicContact CD2-CG 4.1Å; Y765-R774 HydrophobicContact CE2-CB 4.16Å; Y765-R774 WeakPolarHBondContact O-CD 3.45Å; Y765-L778 HydrophobicContact CD2-CD1 4.11Å; Y765-L778 HydrophobicContact CD2-CD2 3.9Å; Y765-L778 HydrophobicContact CD2-CG 3.85Å; Y765-L778 HydrophobicContact CE2-CD1 3.71Å; Y765-L778 HydrophobicContact CE2-CD2 4.01Å; Y765-L778 HydrophobicContact CE2-CG 3.96Å; Y765-L778 HydrophobicContact CG-CD2 4.31Å; Y765-V802 HydrophobicContact CD1-CG1 3.84Å; Y765-V802 HydrophobicContact CD1-CG2 4.31Å; Y765-V802 HydrophobicContact CE1-CB 4.3Å; Y765-V802 HydrophobicContact CE1-CG1 3.41Å; Y765-V802 VanDerWaalsContact CE1-CG1 3.41Å; Y765-V802 HydrophobicContact CE1-CG2 4.11Å; Y765-V802 HydrophobicContact CE2-CG1 4.46Å; Y765-V815 HydrophobicContact CE2-CG1 3.92Å |
| 766 | L | 91 | Very high | 91.4 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 53% | 0.534 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.8 | -28.8 | -178.6 | -69.8 | 171.7 | 0 | 0 | 0 | 113.4 | L762 S763 V764 | L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 3.26Å; S763-L766 PolarHBondContact O-N 3.18Å; V764-L766 VanDerWaalsContact C-N 3.25Å; V764-L766 PolarHBondContact O-N 2.82Å |
| 767 | S | 89.8 | Confident | 91.9 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 60% | 0.601 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -98.4 | -23.1 | -176.2 | 65 | 0 | 0 | 0 | 0 | 114.7 | S763 V764 | S763-S767 PolarHBondContact O-N 3.49Å; S763-S767 VanDerWaalsContact O-N 3.15Å; S763-S767 PolarHBondContact O-OG 3.23Å; V764-S767 PolarHBondContact O-N 3.48Å; V764-S767 PolarHBondContact O-OG 2.95Å |
| 768 | A | 88.8 | Confident | 92.2 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | trans | -75.6 | 133.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V764 L773 R774 | V764-A768 HydrophobicContact CG1-CB 4.3Å; V764-A768 WeakPolarHBondContact O-CB 3.33Å; V764-A768 PolarHBondContact O-N 2.88Å; A768-L773 HydrophobicContact CB-CD2 3.87Å; A768-L773 HydrophobicContact CB-CG 4.3Å; A768-R774 HydrophobicContact CB-CG 3.88Å; A768-R774 WeakPolarHBondContact O-CD 3.48Å; A768-R774 PolarHBondContact O-NE 3.15Å | ||
| 769 | E | 87.4 | Confident | 92.4 | Very high | 187 Ų | 187 | 43.1 Ų | 43.1 | 87% | 0.874 | 24% | 0.235 | S | C | * | . | trans | -78.2 | -36.1 | 170 | -64.6 | -174.1 | 169.9 | 0 | 0 | 111.4 | ||||
| 770 | D | 92.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | trans | -67.8 | 132.3 | -176 | -178.1 | -94.1 | 0 | 0 | 0 | 112.9 | I729 Y772 L773 R774 | I729-D770 HydrophobicContact CD1-CB 3.72Å; I729-D770 HydrophobicContact CG1-CB 4.42Å; I729-D770 HydrophobicContact CG2-CB 4.16Å; I729-D770 WeakPolarHBondContact CG2-OD1 3.38Å; D770-Y772 WeakPolarHBondContact OD1-CA 3.4Å; D770-Y772 WeakPolarHBondContact OD1-CB 3.43Å; D770-Y772 PolarHBondContact OD1-N 3.43Å; D770-L773 HydrophobicContact CB-CB 4.29Å; D770-L773 PolarHBondContact OD1-N 3.19Å; D770-R774 WeakPolarHBondContact O-CG 3.43Å; D770-R774 PolarHBondContact O-N 3.45Å | ||
| 771 | F | 92.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 23% | 0.232 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80 | -28.4 | -175.1 | 65.6 | -95.3 | 0 | 0 | 0 | 113.3 | A775 H812 M814 V815 | F771-A775 WeakPolarHBondContact O-CB 3.42Å; F771-A775 PolarHBondContact O-N 3.07Å; F771-H812 HydrophobicContact CB-CB 4.06Å; F771-H812 AromaticContact CD1-CE1 3.91Å; F771-H812 AromaticContact CD1-NE2 3.97Å; F771-H812 HydrophobicContact CG-CB 4.39Å; F771-M814 HydrophobicContact CE2-CE 4.44Å; F771-M814 HydrophobicContact CE2-SD 4.45Å; F771-V815 HydrophobicContact CB-CG2 3.88Å |
| 772 | Y | 91.2 | Very high | 92.4 | Very high | 122 Ų | 122 | 39.3 Ų | 39.3 | 48% | 0.478 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 175.4 | -76.7 | -78.5 | 0 | 0 | 0 | 110.4 | D770 A775 S776 M814 | D770-Y772 WeakPolarHBondContact OD1-CA 3.4Å; D770-Y772 WeakPolarHBondContact OD1-CB 3.43Å; D770-Y772 PolarHBondContact OD1-N 3.43Å; Y772-A775 PolarHBondContact O-N 2.98Å; Y772-S776 WeakPolarHBondContact O-CB 3.49Å; Y772-S776 PolarHBondContact O-N 3.17Å; Y772-M814 HydrophobicContact CD1-CE 4.41Å; Y772-M814 HydrophobicContact CD1-SD 3.58Å; Y772-M814 VanDerWaalsContact CD1-SD 3.58Å; Y772-M814 HydrophobicContact CE1-CE 3.67Å; Y772-M814 HydrophobicContact CE1-SD 3.44Å; Y772-M814 WeakPolarHBondContact CE1-SD 3.44Å |
| 773 | L | 94.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.7 | -174.6 | 57.5 | 0 | 0 | 0 | 111.6 | F720 V724 I729 A732 V733 V764 A768 D770 A775 S776 C777 | F720-L773 HydrophobicContact CE2-CD1 3.91Å; F720-L773 HydrophobicContact CZ-CD1 4.15Å; V724-L773 HydrophobicContact CG1-CD2 4.29Å; V724-L773 HydrophobicContact CG2-CD1 4.26Å; V724-L773 HydrophobicContact CG2-CD2 4.04Å; I729-L773 HydrophobicContact CG2-CB 4.16Å; A732-L773 HydrophobicContact CB-CD1 3.97Å; V733-L773 HydrophobicContact CG2-CB 4.34Å; V733-L773 HydrophobicContact CG2-CD1 4.2Å; V764-L773 HydrophobicContact CG1-CD1 4.22Å; V764-L773 HydrophobicContact CG1-CD2 3.76Å; V764-L773 HydrophobicContact CG1-CG 3.84Å; A768-L773 HydrophobicContact CB-CD2 3.87Å; A768-L773 HydrophobicContact CB-CG 4.3Å; D770-L773 HydrophobicContact CB-CB 4.29Å; D770-L773 PolarHBondContact OD1-N 3.19Å; L773-A775 PolarHBondContact O-N 3.49Å; L773-S776 PolarHBondContact O-N 3.37Å; L773-C777 PolarHBondContact O-N 2.92Å; L773-C777 PolarHBondContact O-SG 3.4Å |
| 774 | R | 94.7 | Very high | 91.9 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 176.9 | -73.7 | -169.5 | -68.4 | 148.4 | 7.2 | 112.3 | Y765 A768 D770 C777 L778 E810 V815 | Y765-R774 HydrophobicContact CD2-CB 3.84Å; Y765-R774 HydrophobicContact CD2-CG 4.1Å; Y765-R774 HydrophobicContact CE2-CB 4.16Å; Y765-R774 WeakPolarHBondContact O-CD 3.45Å; A768-R774 HydrophobicContact CB-CG 3.88Å; A768-R774 WeakPolarHBondContact O-CD 3.48Å; A768-R774 PolarHBondContact O-NE 3.15Å; D770-R774 WeakPolarHBondContact O-CG 3.43Å; D770-R774 PolarHBondContact O-N 3.45Å; R774-C777 PolarHBondContact O-N 3.42Å; R774-L778 WeakPolarHBondContact O-CG 3Å; R774-L778 PolarHBondContact O-N 3.13Å; R774-E810 IonicContact CZ-OE1 3.4Å; R774-E810 IonicContact NH1-OE1 3.65Å; R774-E810 PolarHBondContact NH1-OE1 2.84Å; R774-E810 IonicContact NH1-OE2 3.67Å; R774-E810 PolarHBondContact NH1-OE2 2.98Å; R774-E810 VanDerWaalsContact NH1-OE2 3.13Å; R774-E810 IonicContact NH2-OE1 2.79Å; R774-E810 PolarHBondContact NH2-OE1 3.35Å; R774-V815 HydrophobicContact CB-CG1 4.39Å; R774-V815 HydrophobicContact CB-CG2 4.26Å |
| 775 | A | 94.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F771 Y772 L773 C777 L778 V779 M814 V815 | F771-A775 WeakPolarHBondContact O-CB 3.42Å; F771-A775 PolarHBondContact O-N 3.07Å; Y772-A775 PolarHBondContact O-N 2.98Å; L773-A775 PolarHBondContact O-N 3.49Å; A775-C777 PolarHBondContact O-N 3.37Å; A775-L778 PolarHBondContact O-N 3Å; A775-V779 WeakPolarHBondContact O-CG2 2.99Å; A775-V779 PolarHBondContact O-N 3.15Å; A775-V779 VanDerWaalsContact O-N 3.09Å; A775-M814 HydrophobicContact CB-CG 4.3Å; A775-V815 HydrophobicContact CB-CG2 4.45Å |
| 776 | S | 94.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 38 Ų | 38 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | A736 Y772 L773 L778 V779 T780 | A736-S776 VanDerWaalsContact CB-OG 3.31Å; A736-S776 WeakPolarHBondContact CB-OG 3.24Å; Y772-S776 WeakPolarHBondContact O-CB 3.49Å; Y772-S776 PolarHBondContact O-N 3.17Å; L773-S776 PolarHBondContact O-N 3.37Å; S776-L778 PolarHBondContact O-N 2.9Å; S776-V779 PolarHBondContact O-N 2.92Å; S776-T780 WeakPolarHBondContact O-CB 3.16Å; S776-T780 PolarHBondContact O-N 3.34Å; S776-T780 PolarHBondContact O-OG1 3.21Å |
| 777 | C | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.3 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | M761 L773 R774 A775 V779 T780 I781 | M761-C777 HydrophobicContact CB-CB 4.42Å; M761-C777 HydrophobicContact SD-CB 4.45Å; L773-C777 PolarHBondContact O-N 2.92Å; L773-C777 PolarHBondContact O-SG 3.4Å; R774-C777 PolarHBondContact O-N 3.42Å; A775-C777 PolarHBondContact O-N 3.37Å; C777-V779 PolarHBondContact O-N 3.12Å; C777-T780 PolarHBondContact O-N 3.02Å; C777-I781 VanDerWaalsContact O-CG1 3.26Å; C777-I781 WeakPolarHBondContact O-CG1 3.49Å; C777-I781 PolarHBondContact O-N 3.4Å |
| 778 | L | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 179.6 | -64.3 | 174 | 0 | 0 | 0 | 112.3 | Y765 R774 A775 S776 T780 G782 V802 V815 A819 L822 | Y765-L778 HydrophobicContact CD2-CD1 4.11Å; Y765-L778 HydrophobicContact CD2-CD2 3.9Å; Y765-L778 HydrophobicContact CD2-CG 3.85Å; Y765-L778 HydrophobicContact CE2-CD1 3.71Å; Y765-L778 HydrophobicContact CE2-CD2 4.01Å; Y765-L778 HydrophobicContact CE2-CG 3.96Å; Y765-L778 HydrophobicContact CG-CD2 4.31Å; R774-L778 WeakPolarHBondContact O-CG 3Å; R774-L778 PolarHBondContact O-N 3.13Å; A775-L778 PolarHBondContact O-N 3Å; S776-L778 PolarHBondContact O-N 2.9Å; L778-T780 VanDerWaalsContact C-N 3.33Å; L778-G782 PolarHBondContact O-N 2.92Å; L778-V802 HydrophobicContact CD2-CG1 3.57Å; L778-V815 HydrophobicContact CD1-CG1 3.93Å; L778-A819 HydrophobicContact CD1-CB 3.99Å; L778-L822 HydrophobicContact CD2-CD2 3.95Å |
| 779 | V | 93.4 | Very high | 89.3 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | A775 S776 C777 G782 S783 | A775-V779 WeakPolarHBondContact O-CG2 2.99Å; A775-V779 PolarHBondContact O-N 3.15Å; A775-V779 VanDerWaalsContact O-N 3.09Å; S776-V779 PolarHBondContact O-N 2.92Å; C777-V779 PolarHBondContact O-N 3.12Å; V779-G782 PolarHBondContact O-N 3.24Å; V779-S783 PolarHBondContact O-N 3.08Å; V779-S783 PolarHBondContact O-OG 3.3Å |
| 780 | T | 92 | Very high | 88.4 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.8 | -46.1 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | A736 I739 V757 M761 S776 C777 L778 G782 S783 V784 | A736-T780 PolarHBondContact O-OG1 2.76Å; I739-T780 HydrophobicContact CB-CG2 4.05Å; I739-T780 HydrophobicContact CG2-CG2 3.66Å; V757-T780 HydrophobicContact CG1-CG2 4.38Å; M761-T780 HydrophobicContact CE-CG2 4Å; M761-T780 HydrophobicContact CG-CG2 4.48Å; M761-T780 HydrophobicContact SD-CG2 4.13Å; S776-T780 WeakPolarHBondContact O-CB 3.16Å; S776-T780 PolarHBondContact O-N 3.34Å; S776-T780 PolarHBondContact O-OG1 3.21Å; C777-T780 PolarHBondContact O-N 3.02Å; L778-T780 VanDerWaalsContact C-N 3.33Å; T780-G782 VanDerWaalsContact C-N 3.32Å; T780-G782 PolarHBondContact O-N 3.45Å; T780-S783 PolarHBondContact O-N 3.11Å; T780-V784 PolarHBondContact O-N 3.29Å |
| 781 | I | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.5 | -49.2 | 172.9 | -66.5 | 164.5 | 0 | 0 | 0 | 109.7 | V758 M761 L762 C777 S783 V784 M785 M799 L822 | V758-I781 HydrophobicContact CG1-CG2 4.49Å; V758-I781 HydrophobicContact CG2-CG2 4.2Å; M761-I781 HydrophobicContact CB-CD1 3.74Å; M761-I781 HydrophobicContact CB-CG1 3.6Å; M761-I781 HydrophobicContact CG-CG1 4.33Å; L762-I781 HydrophobicContact CD2-CD1 3.74Å; L762-I781 HydrophobicContact CG-CD1 3.89Å; C777-I781 VanDerWaalsContact O-CG1 3.26Å; C777-I781 WeakPolarHBondContact O-CG1 3.49Å; C777-I781 PolarHBondContact O-N 3.4Å; I781-S783 VanDerWaalsContact C-N 3.3Å; I781-S783 PolarHBondContact O-N 2.86Å; I781-V784 PolarHBondContact O-N 3.34Å; I781-M785 HydrophobicContact CG2-CG 3.94Å; I781-M785 WeakPolarHBondContact O-CB 3.46Å; I781-M785 WeakPolarHBondContact O-CG 3.34Å; I781-M785 PolarHBondContact O-N 2.99Å; I781-M799 HydrophobicContact CG2-SD 3.73Å; I781-L822 HydrophobicContact CB-CD1 4.07Å; I781-L822 HydrophobicContact CG2-CD1 3.61Å; I781-L822 HydrophobicContact CG2-CD2 4.48Å |
| 782 | G | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -43.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L778 V779 T780 M785 R786 L822 C825 | L778-G782 PolarHBondContact O-N 2.92Å; V779-G782 PolarHBondContact O-N 3.24Å; T780-G782 VanDerWaalsContact C-N 3.32Å; T780-G782 PolarHBondContact O-N 3.45Å; G782-M785 PolarHBondContact O-N 2.79Å; G782-R786 WeakPolarHBondContact O-CB 3.4Å; G782-R786 PolarHBondContact O-N 3.47Å; G782-L822 VanDerWaalsContact CA-CD1 3.42Å; G782-C825 VanDerWaalsContact O-CB 3.24Å; G782-C825 WeakPolarHBondContact O-CB 3.29Å |
| 783 | S | 87.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | -178.6 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | S740 K744 V779 T780 I781 | S740-S783 WeakPolarHBondContact OG-CB 3.48Å; S740-S783 PolarHBondContact OG-OG 3.42Å; K744-S783 WeakPolarHBondContact CE-OG 3.43Å; V779-S783 PolarHBondContact O-N 3.08Å; V779-S783 PolarHBondContact O-OG 3.3Å; T780-S783 PolarHBondContact O-N 3.11Å; I781-S783 VanDerWaalsContact C-N 3.3Å; I781-S783 PolarHBondContact O-N 2.86Å |
| 784 | V | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -42.1 | 177.3 | 179 | 0 | 0 | 0 | 0 | 111.1 | I754 V757 T780 I781 R786 E787 G788 | I754-V784 HydrophobicContact CG1-CG1 4.04Å; V757-V784 HydrophobicContact CG1-CG2 4.17Å; T780-V784 PolarHBondContact O-N 3.29Å; I781-V784 PolarHBondContact O-N 3.34Å; V784-R786 VanDerWaalsContact C-N 3.34Å; V784-R786 PolarHBondContact O-N 3.45Å; V784-E787 PolarHBondContact O-N 3.23Å; V784-G788 PolarHBondContact O-N 3.08Å; V784-G788 VanDerWaalsContact O-N 3.14Å |
| 785 | M | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | -178 | -68.5 | -61.6 | -67.6 | 0 | 0 | 112.9 | I754 V758 I781 G782 F790 S793 M799 L826 | I754-M785 HydrophobicContact CB-SD 4.32Å; I754-M785 HydrophobicContact CD1-CE 4.4Å; I754-M785 HydrophobicContact CD1-SD 3.74Å; I754-M785 HydrophobicContact CG1-SD 3.79Å; I754-M785 HydrophobicContact CG2-SD 3.6Å; V758-M785 HydrophobicContact CG2-CG 4.47Å; V758-M785 HydrophobicContact CG2-SD 3.98Å; I781-M785 HydrophobicContact CG2-CG 3.94Å; I781-M785 WeakPolarHBondContact O-CB 3.46Å; I781-M785 WeakPolarHBondContact O-CG 3.34Å; I781-M785 PolarHBondContact O-N 2.99Å; G782-M785 PolarHBondContact O-N 2.79Å; M785-F790 HydrophobicContact CB-CE2 3.82Å; M785-F790 HydrophobicContact CB-CZ 4.24Å; M785-F790 HydrophobicContact CE-CD1 4.03Å; M785-F790 HydrophobicContact CE-CD2 4.27Å; M785-F790 HydrophobicContact CE-CE1 3.38Å; M785-F790 HydrophobicContact CE-CE2 3.65Å; M785-F790 HydrophobicContact CE-CG 4.44Å; M785-F790 HydrophobicContact CE-CZ 3.17Å; M785-S793 WeakPolarHBondContact CE-OG 3.35Å; M785-M799 HydrophobicContact CE-CE 3.31Å; M785-M799 HydrophobicContact CE-SD 4.07Å; M785-M799 HydrophobicContact CG-SD 4.08Å; M785-M799 HydrophobicContact SD-CE 4.3Å; M785-M799 HydrophobicContact SD-SD 4.43Å; M785-L826 HydrophobicContact CB-CD2 3.94Å; M785-L826 HydrophobicContact CG-CD2 4.29Å |
| 786 | R | 86.2 | Confident | 81.4 | Confident | 80 Ų | 80 | 32.4 Ų | 32.4 | 30% | 0.302 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 177.6 | -171.1 | -176.4 | 77.4 | -176.9 | 7.2 | 111.5 | G782 V784 G788 Q789 C825 Q828 G829 | G782-R786 WeakPolarHBondContact O-CB 3.4Å; G782-R786 PolarHBondContact O-N 3.47Å; V784-R786 VanDerWaalsContact C-N 3.34Å; V784-R786 PolarHBondContact O-N 3.45Å; R786-G788 VanDerWaalsContact C-N 3.34Å; R786-Q789 PolarHBondContact O-N 3.06Å; R786-C825 HydrophobicContact CB-CB 4.16Å; R786-Q828 VanDerWaalsContact CD-OE1 3.26Å; R786-Q828 HydrophobicContact CG-CB 4.03Å; R786-G829 WeakPolarHBondContact O-CA 3.32Å |
| 787 | E | 82.1 | Confident | 81 | Confident | 47 Ų | 47 | 37.7 Ų | 37.7 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.3 | -28.2 | -177 | -60.2 | -50.1 | 140.6 | 0 | 0 | 112.5 | G743 A750 V784 Q789 | G743-E787 WeakPolarHBondContact O-CG 3.38Å; A750-E787 HydrophobicContact CB-CB 4.04Å; V784-E787 PolarHBondContact O-N 3.23Å; E787-Q789 PolarHBondContact O-N 3.39Å |
| 788 | G | 76 | Confident | 80.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -3.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A750 V784 R786 F790 K791 | A750-G788 VanDerWaalsContact CB-CA 3.43Å; A750-G788 VanDerWaalsContact CB-N 3.31Å; V784-G788 PolarHBondContact O-N 3.08Å; V784-G788 VanDerWaalsContact O-N 3.14Å; R786-G788 VanDerWaalsContact C-N 3.34Å; G788-F790 PolarHBondContact O-N 3.26Å; G788-K791 PolarHBondContact O-N 3.29Å |
| 789 | Q | 72.7 | Confident | 80.4 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 25.1 | -177.1 | -58.8 | -179.7 | 0.8 | 0 | 0 | 113.6 | R786 E787 K791 G829 R833 | R786-Q789 PolarHBondContact O-N 3.06Å; E787-Q789 PolarHBondContact O-N 3.39Å; Q789-K791 PolarHBondContact O-N 3.05Å; Q789-G829 CarbonylContact C-O 3.12Å; Q789-G829 VanDerWaalsContact C-O 3.27Å; Q789-G829 WeakPolarHBondContact CA-O 3.5Å; Q789-R833 PolarHBondContact O-NH2 2.94Å |
| 790 | F | 67.7 | Low | 80.2 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 26.1 | -173.4 | -90.3 | -101.4 | 0 | 0 | 0 | 115.1 | M785 G788 V792 S793 L796 M799 L826 I837 | M785-F790 HydrophobicContact CB-CE2 3.82Å; M785-F790 HydrophobicContact CB-CZ 4.24Å; M785-F790 HydrophobicContact CE-CD1 4.03Å; M785-F790 HydrophobicContact CE-CD2 4.27Å; M785-F790 HydrophobicContact CE-CE1 3.38Å; M785-F790 HydrophobicContact CE-CE2 3.65Å; M785-F790 HydrophobicContact CE-CG 4.44Å; M785-F790 HydrophobicContact CE-CZ 3.17Å; G788-F790 PolarHBondContact O-N 3.26Å; F790-V792 VanDerWaalsContact C-N 3.32Å; F790-V792 PolarHBondContact O-N 3.45Å; F790-S793 WeakPolarHBondContact CE1-OG 3.4Å; F790-L796 HydrophobicContact CD1-CD1 4.41Å; F790-L796 HydrophobicContact CE1-CD1 3.64Å; F790-L796 HydrophobicContact CZ-CD1 4.32Å; F790-M799 HydrophobicContact CE1-CE 4.14Å; F790-M799 HydrophobicContact CZ-CE 4.09Å; F790-L826 HydrophobicContact CE2-CB 3.92Å; F790-L826 HydrophobicContact CE2-CD2 3.68Å; F790-L826 HydrophobicContact CE2-CG 4.31Å; F790-L826 HydrophobicContact CZ-CB 3.78Å; F790-L826 HydrophobicContact CZ-CD1 4.21Å; F790-L826 HydrophobicContact CZ-CD2 3.35Å; F790-L826 HydrophobicContact CZ-CG 3.9Å; F790-I837 HydrophobicContact CB-CD1 3.72Å; F790-I837 HydrophobicContact CD1-CG2 3.98Å |
| 791 | K | 57.5 | Low | 80.1 | Confident | 103 Ų | 103 | 47.3 Ų | 47.3 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -71.5 | 95.8 | 169.9 | -80.6 | 175.5 | 178.6 | 165.9 | 0 | 106.4 | P751 G788 Q789 R833 | P751-K791 HydrophobicContact CG-CB 4.39Å; G788-K791 PolarHBondContact O-N 3.29Å; Q789-K791 PolarHBondContact O-N 3.05Å; K791-R833 VanDerWaalsContact CG-NH1 3.33Å |
| 792 | V | 51.8 | Low | 80.1 | Confident | 125 Ų | 125 | 47.9 Ų | 47.9 | 76% | 0.758 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 80.5 | 79.5 | 178 | -161.4 | 0 | 0 | 0 | 0 | 113.7 | F790 | F790-V792 VanDerWaalsContact C-N 3.32Å; F790-V792 PolarHBondContact O-N 3.45Å |
| 793 | S | 63.2 | Low | 80.1 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | trans | -120.6 | 99.2 | 174.1 | 156.4 | 0 | 0 | 0 | 0 | 111.7 | M785 F790 F795 | M785-S793 WeakPolarHBondContact CE-OG 3.35Å; F790-S793 WeakPolarHBondContact CE1-OG 3.4Å; S793-F795 PolarHBondContact O-N 2.97Å | ||
| 794 | S | 74.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 56% | 0.559 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20 | 169.4 | 32.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 795 | F | 83.6 | Confident | 80.4 | Confident | 42 Ų | 42 | 59 Ų | 59 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7.9 | -170.7 | -52.7 | -71.5 | 0 | 0 | 0 | 115.3 | I754 D755 V758 P759 S793 I797 E798 M799 | I754-F795 HydrophobicContact CG2-CD2 4.2Å; I754-F795 HydrophobicContact CG2-CE2 4.35Å; D755-F795 WeakPolarHBondContact OD1-CE2 3.48Å; V758-F795 HydrophobicContact CB-CD2 4.34Å; V758-F795 HydrophobicContact CG1-CB 4.27Å; V758-F795 HydrophobicContact CG1-CD2 4.05Å; V758-F795 HydrophobicContact CG1-CG 4.06Å; P759-F795 HydrophobicContact CG-CE1 4.36Å; P759-F795 HydrophobicContact CG-CZ 3.94Å; S793-F795 PolarHBondContact O-N 2.97Å; F795-I797 VanDerWaalsContact C-N 3.29Å; F795-I797 PolarHBondContact O-N 3.15Å; F795-E798 WeakPolarHBondContact CA-OE2 3.37Å; F795-E798 PolarHBondContact O-N 2.89Å; F795-M799 HydrophobicContact CB-CE 4.03Å; F795-M799 WeakPolarHBondContact O-CE 3.36Å; F795-M799 WeakPolarHBondContact O-CG 3.37Å; F795-M799 PolarHBondContact O-N 3.31Å |
| 796 | L | 83.2 | Confident | 80.6 | Confident | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.9 | -44.5 | -173.3 | -178 | 74.1 | 0 | 0 | 0 | 111.5 | F790 M799 L800 L826 I837 F838 | F790-L796 HydrophobicContact CD1-CD1 4.41Å; F790-L796 HydrophobicContact CE1-CD1 3.64Å; F790-L796 HydrophobicContact CZ-CD1 4.32Å; L796-M799 PolarHBondContact O-N 3.28Å; L796-L800 HydrophobicContact CG-CD1 4.21Å; L796-L800 VanDerWaalsContact O-CG 3.29Å; L796-L800 WeakPolarHBondContact O-CG 3.24Å; L796-L800 PolarHBondContact O-N 3.44Å; L796-L826 HydrophobicContact CD1-CD1 4.45Å; L796-I837 HydrophobicContact CD1-CG2 4.41Å; L796-I837 HydrophobicContact CD2-CG2 3.98Å; L796-I837 VanDerWaalsContact CD2-O 3.28Å; L796-I837 WeakPolarHBondContact CD2-O 3.36Å; L796-F838 HydrophobicContact CD1-CE2 4.16Å; L796-F838 HydrophobicContact CD1-CZ 4.18Å |
| 797 | I | 85 | Confident | 80.7 | Confident | 130 Ų | 130 | 55.4 Ų | 55.4 | 67% | 0.667 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.4 | -45.7 | -176.9 | -62.4 | 177 | 0 | 0 | 0 | 110 | F795 M799 L800 H801 | F795-I797 VanDerWaalsContact C-N 3.29Å; F795-I797 PolarHBondContact O-N 3.15Å; I797-M799 VanDerWaalsContact C-N 3.33Å; I797-M799 PolarHBondContact O-N 3.14Å; I797-L800 PolarHBondContact O-N 3.35Å; I797-H801 WeakPolarHBondContact O-CB 3.31Å; I797-H801 PolarHBondContact O-N 3.46Å |
| 798 | E | 88.5 | Confident | 81 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.2 | -69.8 | 81.8 | 172.4 | 0 | 0 | 111.1 | F795 H801 V802 | F795-E798 WeakPolarHBondContact CA-OE2 3.37Å; F795-E798 PolarHBondContact O-N 2.89Å; E798-H801 PolarHBondContact O-N 3.18Å; E798-V802 WeakPolarHBondContact O-CG2 3.4Å; E798-V802 PolarHBondContact O-N 3.4Å |
| 799 | M | 89.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.2 | -72.1 | -176.1 | -74 | 0 | 0 | 111.9 | I781 M785 F790 F795 L796 I797 H801 V802 I803 L822 L826 | I781-M799 HydrophobicContact CG2-SD 3.73Å; M785-M799 HydrophobicContact CE-CE 3.31Å; M785-M799 HydrophobicContact CE-SD 4.07Å; M785-M799 HydrophobicContact CG-SD 4.08Å; M785-M799 HydrophobicContact SD-CE 4.3Å; M785-M799 HydrophobicContact SD-SD 4.43Å; F790-M799 HydrophobicContact CE1-CE 4.14Å; F790-M799 HydrophobicContact CZ-CE 4.09Å; F795-M799 HydrophobicContact CB-CE 4.03Å; F795-M799 WeakPolarHBondContact O-CE 3.36Å; F795-M799 WeakPolarHBondContact O-CG 3.37Å; F795-M799 PolarHBondContact O-N 3.31Å; L796-M799 PolarHBondContact O-N 3.28Å; I797-M799 VanDerWaalsContact C-N 3.33Å; I797-M799 PolarHBondContact O-N 3.14Å; M799-H801 VanDerWaalsContact C-N 3.27Å; M799-H801 PolarHBondContact O-N 3.49Å; M799-V802 PolarHBondContact O-N 3.39Å; M799-I803 WeakPolarHBondContact O-CB 3.26Å; M799-I803 WeakPolarHBondContact O-CD1 3.44Å; M799-I803 WeakPolarHBondContact O-CG1 3.35Å; M799-I803 PolarHBondContact O-N 3.27Å; M799-L822 HydrophobicContact SD-CD1 4.43Å; M799-L826 HydrophobicContact CB-CD1 4.25Å; M799-L826 HydrophobicContact CE-CD2 4.42Å; M799-L826 HydrophobicContact SD-CD1 4.44Å; M799-L826 HydrophobicContact SD-CD2 4Å |
| 800 | L | 88.6 | Confident | 82.1 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 175.7 | -72.8 | 175.6 | 0 | 0 | 0 | 111.6 | L796 I797 I803 E804 L823 F838 V845 | L796-L800 HydrophobicContact CG-CD1 4.21Å; L796-L800 VanDerWaalsContact O-CG 3.29Å; L796-L800 WeakPolarHBondContact O-CG 3.24Å; L796-L800 PolarHBondContact O-N 3.44Å; I797-L800 PolarHBondContact O-N 3.35Å; L800-I803 PolarHBondContact O-N 2.66Å; L800-E804 WeakPolarHBondContact O-CB 3.44Å; L800-E804 PolarHBondContact O-N 3.44Å; L800-L823 HydrophobicContact CD2-CD1 4.28Å; L800-F838 HydrophobicContact CD1-CE1 4.44Å; L800-F838 HydrophobicContact CD2-CE1 3.91Å; L800-V845 HydrophobicContact CD2-CG2 4Å |
| 801 | H | 89.3 | Confident | 82.9 | Confident | 127 Ų | 127 | 66.6 Ų | 66.6 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 176.9 | -161 | 71 | 0 | 0 | 0 | 112.1 | I797 E798 M799 E804 R805 | I797-H801 WeakPolarHBondContact O-CB 3.31Å; I797-H801 PolarHBondContact O-N 3.46Å; E798-H801 PolarHBondContact O-N 3.18Å; M799-H801 VanDerWaalsContact C-N 3.27Å; M799-H801 PolarHBondContact O-N 3.49Å; H801-E804 PolarHBondContact O-N 3.06Å; H801-R805 WeakPolarHBondContact O-CB 3.14Å; H801-R805 PolarHBondContact O-N 3.08Å |
| 802 | V | 91.6 | Very high | 84.4 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174 | 163.4 | 0 | 0 | 0 | 0 | 111.4 | L762 Y765 L778 E798 M799 R805 A806 | L762-V802 HydrophobicContact CD2-CG2 4.07Å; Y765-V802 HydrophobicContact CD1-CG1 3.84Å; Y765-V802 HydrophobicContact CD1-CG2 4.31Å; Y765-V802 HydrophobicContact CE1-CB 4.3Å; Y765-V802 HydrophobicContact CE1-CG1 3.41Å; Y765-V802 VanDerWaalsContact CE1-CG1 3.41Å; Y765-V802 HydrophobicContact CE1-CG2 4.11Å; Y765-V802 HydrophobicContact CE2-CG1 4.46Å; L778-V802 HydrophobicContact CD2-CG1 3.57Å; E798-V802 WeakPolarHBondContact O-CG2 3.4Å; E798-V802 PolarHBondContact O-N 3.4Å; M799-V802 PolarHBondContact O-N 3.39Å; V802-R805 PolarHBondContact O-N 2.83Å; V802-A806 VanDerWaalsContact O-CB 3.3Å; V802-A806 WeakPolarHBondContact O-CB 3.27Å; V802-A806 PolarHBondContact O-N 2.99Å |
| 803 | I | 91.9 | Very high | 86.2 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.3 | -68.5 | 159.3 | 0 | 0 | 0 | 110.4 | M799 L800 A806 I807 L822 L823 L826 | M799-I803 WeakPolarHBondContact O-CB 3.26Å; M799-I803 WeakPolarHBondContact O-CD1 3.44Å; M799-I803 WeakPolarHBondContact O-CG1 3.35Å; M799-I803 PolarHBondContact O-N 3.27Å; L800-I803 PolarHBondContact O-N 2.66Å; I803-A806 PolarHBondContact O-N 3.01Å; I803-I807 HydrophobicContact CG2-CD1 3.58Å; I803-I807 HydrophobicContact CG2-CG1 4.4Å; I803-I807 WeakPolarHBondContact O-CB 3.44Å; I803-I807 VanDerWaalsContact O-CG1 3.27Å; I803-I807 WeakPolarHBondContact O-CG1 3.17Å; I803-I807 PolarHBondContact O-N 3.29Å; I803-L822 HydrophobicContact CD1-CD2 4.04Å; I803-L822 HydrophobicContact CD1-CG 4.02Å; I803-L822 HydrophobicContact CG1-CD2 3.9Å; I803-L822 HydrophobicContact CG1-CG 4.25Å; I803-L823 HydrophobicContact CD1-CB 4Å; I803-L823 HydrophobicContact CD1-CD1 4.26Å; I803-L823 HydrophobicContact CG2-CB 4.31Å; I803-L823 HydrophobicContact CG2-CD2 4.38Å; I803-L826 HydrophobicContact CD1-CD1 4.02Å |
| 804 | E | 90.1 | Very high | 87.4 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | -180 | -173.4 | 176.1 | -167.9 | 0 | 0 | 111.4 | L800 H801 A806 I807 N808 | L800-E804 WeakPolarHBondContact O-CB 3.44Å; L800-E804 PolarHBondContact O-N 3.44Å; H801-E804 PolarHBondContact O-N 3.06Å; E804-A806 PolarHBondContact O-N 3.02Å; E804-I807 PolarHBondContact O-N 3.4Å; E804-N808 VanDerWaalsContact CG-ND2 3.3Å; E804-N808 WeakPolarHBondContact CG-ND2 3.41Å; E804-N808 VanDerWaalsContact O-CB 3.3Å; E804-N808 WeakPolarHBondContact O-CB 3.34Å; E804-N808 VanDerWaalsContact O-CG 3.27Å; E804-N808 PolarHBondContact O-N 2.8Å; E804-N808 PolarHBondContact O-ND2 3.26Å |
| 805 | R | 89.5 | Confident | 88.3 | Confident | 129 Ų | 129 | 59.9 Ų | 59.9 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 174.4 | 179.3 | 179.2 | 165.1 | 167.1 | -5 | 111 | H801 V802 I807 N808 A809 | H801-R805 WeakPolarHBondContact O-CB 3.14Å; H801-R805 PolarHBondContact O-N 3.08Å; V802-R805 PolarHBondContact O-N 2.83Å; R805-I807 PolarHBondContact O-N 2.87Å; R805-N808 PolarHBondContact O-N 3.07Å; R805-A809 HydrophobicContact CG-CB 4.46Å; R805-A809 WeakPolarHBondContact O-CA 3.32Å; R805-A809 VanDerWaalsContact O-CB 3.28Å; R805-A809 WeakPolarHBondContact O-CB 3.4Å; R805-A809 PolarHBondContact O-N 3.38Å |
| 806 | A | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V802 I803 E804 N808 E810 A819 | V802-A806 VanDerWaalsContact O-CB 3.3Å; V802-A806 WeakPolarHBondContact O-CB 3.27Å; V802-A806 PolarHBondContact O-N 2.99Å; I803-A806 PolarHBondContact O-N 3.01Å; E804-A806 PolarHBondContact O-N 3.02Å; A806-N808 VanDerWaalsContact C-N 3.35Å; A806-N808 PolarHBondContact O-N 2.89Å; A806-E810 VanDerWaalsContact O-CB 3.28Å; A806-E810 WeakPolarHBondContact O-CB 3.24Å; A806-E810 PolarHBondContact O-N 3.35Å; A806-A819 HydrophobicContact CB-CB 3.47Å; A806-A819 VanDerWaalsContact CB-CB 3.47Å |
| 807 | I | 88.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | -178.4 | -69.3 | 168.4 | 0 | 0 | 0 | 111.9 | I803 E804 R805 V816 L820 I852 R858 | I803-I807 HydrophobicContact CG2-CD1 3.58Å; I803-I807 HydrophobicContact CG2-CG1 4.4Å; I803-I807 WeakPolarHBondContact O-CB 3.44Å; I803-I807 VanDerWaalsContact O-CG1 3.27Å; I803-I807 WeakPolarHBondContact O-CG1 3.17Å; I803-I807 PolarHBondContact O-N 3.29Å; E804-I807 PolarHBondContact O-N 3.4Å; R805-I807 PolarHBondContact O-N 2.87Å; I807-V816 HydrophobicContact CG1-CG1 4.47Å; I807-L820 HydrophobicContact CD1-CD2 3.65Å; I807-L820 HydrophobicContact CD1-CG 4.24Å; I807-L820 HydrophobicContact CG1-CD2 4.27Å; I807-L820 HydrophobicContact CG1-CG 4.36Å; I807-I852 HydrophobicContact CD1-CD1 3.99Å; I807-I852 HydrophobicContact CG2-CD1 3.71Å; I807-I852 HydrophobicContact CG2-CG1 4.29Å; I807-R858 PolarHBondContact O-NH1 2.94Å; I807-R858 PolarHBondContact O-NH2 3.35Å |
| 808 | N | 87.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91 | -31.1 | -171.1 | -65.6 | -27 | 0 | 0 | 0 | 113.6 | E804 R805 A806 H848 | E804-N808 VanDerWaalsContact CG-ND2 3.3Å; E804-N808 WeakPolarHBondContact CG-ND2 3.41Å; E804-N808 VanDerWaalsContact O-CB 3.3Å; E804-N808 WeakPolarHBondContact O-CB 3.34Å; E804-N808 VanDerWaalsContact O-CG 3.27Å; E804-N808 PolarHBondContact O-N 2.8Å; E804-N808 PolarHBondContact O-ND2 3.26Å; R805-N808 PolarHBondContact O-N 3.07Å; A806-N808 VanDerWaalsContact C-N 3.35Å; A806-N808 PolarHBondContact O-N 2.89Å; N808-H848 PolarHBondContact OD1-NE2 3.18Å; N808-H848 VanDerWaalsContact OD1-NE2 3.1Å |
| 809 | A | 85.3 | Confident | 89.7 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -116.2 | -19.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R805 | R805-A809 HydrophobicContact CG-CB 4.46Å; R805-A809 WeakPolarHBondContact O-CA 3.32Å; R805-A809 VanDerWaalsContact O-CB 3.28Å; R805-A809 WeakPolarHBondContact O-CB 3.4Å; R805-A809 PolarHBondContact O-N 3.38Å |
| 810 | E | 87.3 | Confident | 89.9 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | trans | -74.3 | 137.6 | 180 | -79.1 | -50.3 | -70.5 | 0 | 0 | 113.9 | R774 A806 V815 V816 | R774-E810 IonicContact CZ-OE1 3.4Å; R774-E810 IonicContact NH1-OE1 3.65Å; R774-E810 PolarHBondContact NH1-OE1 2.84Å; R774-E810 IonicContact NH1-OE2 3.67Å; R774-E810 PolarHBondContact NH1-OE2 2.98Å; R774-E810 VanDerWaalsContact NH1-OE2 3.13Å; R774-E810 IonicContact NH2-OE1 2.79Å; R774-E810 PolarHBondContact NH2-OE1 3.35Å; A806-E810 VanDerWaalsContact O-CB 3.28Å; A806-E810 WeakPolarHBondContact O-CB 3.24Å; A806-E810 PolarHBondContact O-N 3.35Å; E810-V815 HydrophobicContact CG-CB 4.14Å; E810-V815 HydrophobicContact CG-CG1 3.87Å; E810-V816 HydrophobicContact CB-CG2 4.1Å | ||
| 811 | E | 83.6 | Confident | 90 | Very high | 182 Ų | 182 | 48.4 Ų | 48.4 | 85% | 0.85 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -79 | -33 | 173.7 | -59.1 | -171.4 | 167.8 | 0 | 0 | 111.7 | ||
| 812 | H | 89.3 | Confident | 90.2 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 38% | 0.375 | 21% | 0.214 | S | C | . | . | trans | -90.3 | 119.7 | -173.9 | -73.3 | -75.3 | 0 | 0 | 0 | 112.9 | F771 M814 V815 V816 | F771-H812 HydrophobicContact CB-CB 4.06Å; F771-H812 AromaticContact CD1-CE1 3.91Å; F771-H812 AromaticContact CD1-NE2 3.97Å; F771-H812 HydrophobicContact CG-CB 4.39Å; H812-M814 PolarHBondContact O-N 3.06Å; H812-M814 VanDerWaalsContact O-N 3.15Å; H812-V815 HydrophobicContact CB-CG2 4.27Å; H812-V815 PolarHBondContact O-N 3.3Å; H812-V815 VanDerWaalsContact O-N 3.16Å; H812-V816 PolarHBondContact O-N 3.17Å | ||
| 813 | S | 89.2 | Confident | 90.2 | Very high | 26 Ų | 26 | 42 Ų | 42 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -33.2 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 114.3 | V815 V816 S817 E859 H862 | S813-V815 PolarHBondContact O-N 3.36Å; S813-V816 PolarHBondContact O-N 3.19Å; S813-S817 WeakPolarHBondContact O-CB 2.98Å; S813-S817 PolarHBondContact O-N 3.44Å; S813-S817 PolarHBondContact O-OG 3.01Å; S813-E859 VanDerWaalsContact CB-OE1 3.25Å; S813-E859 WeakPolarHBondContact CB-OE1 3.44Å; S813-E859 VanDerWaalsContact CB-OE2 3.31Å; S813-E859 WeakPolarHBondContact CB-OE2 3.17Å; S813-E859 PolarHBondContact OG-OE1 3.23Å; S813-E859 PolarHBondContact OG-OE2 3.16Å; S813-H862 PolarHBondContact O-NE2 3.39Å; S813-H862 PolarHBondContact OG-CE1 3Å; S813-H862 PolarHBondContact OG-NE2 3.09Å |
| 814 | M | 88.5 | Confident | 90.1 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 42% | 0.424 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.8 | -37.8 | -178.2 | -151.4 | 175.9 | -71.1 | 0 | 0 | 112.1 | F771 Y772 A775 H812 S817 G818 | F771-M814 HydrophobicContact CE2-CE 4.44Å; F771-M814 HydrophobicContact CE2-SD 4.45Å; Y772-M814 HydrophobicContact CD1-CE 4.41Å; Y772-M814 HydrophobicContact CD1-SD 3.58Å; Y772-M814 VanDerWaalsContact CD1-SD 3.58Å; Y772-M814 HydrophobicContact CE1-CE 3.67Å; Y772-M814 HydrophobicContact CE1-SD 3.44Å; Y772-M814 WeakPolarHBondContact CE1-SD 3.44Å; A775-M814 HydrophobicContact CB-CG 4.3Å; H812-M814 PolarHBondContact O-N 3.06Å; H812-M814 VanDerWaalsContact O-N 3.15Å; M814-S817 PolarHBondContact O-N 2.68Å; M814-G818 PolarHBondContact O-N 3.07Å |
| 815 | V | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.8 | -40.1 | 176 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | Y765 F771 R774 A775 L778 E810 H812 S813 S817 G818 A819 | Y765-V815 HydrophobicContact CE2-CG1 3.92Å; F771-V815 HydrophobicContact CB-CG2 3.88Å; R774-V815 HydrophobicContact CB-CG1 4.39Å; R774-V815 HydrophobicContact CB-CG2 4.26Å; A775-V815 HydrophobicContact CB-CG2 4.45Å; L778-V815 HydrophobicContact CD1-CG1 3.93Å; E810-V815 HydrophobicContact CG-CB 4.14Å; E810-V815 HydrophobicContact CG-CG1 3.87Å; H812-V815 HydrophobicContact CB-CG2 4.27Å; H812-V815 PolarHBondContact O-N 3.3Å; H812-V815 VanDerWaalsContact O-N 3.16Å; S813-V815 PolarHBondContact O-N 3.36Å; V815-S817 VanDerWaalsContact C-N 3.27Å; V815-S817 PolarHBondContact O-N 3.49Å; V815-G818 PolarHBondContact O-N 2.93Å; V815-A819 WeakPolarHBondContact O-CB 3.48Å; V815-A819 PolarHBondContact O-N 2.71Å |
| 816 | V | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I807 E810 H812 S813 A819 L820 | I807-V816 HydrophobicContact CG1-CG1 4.47Å; E810-V816 HydrophobicContact CB-CG2 4.1Å; H812-V816 PolarHBondContact O-N 3.17Å; S813-V816 PolarHBondContact O-N 3.19Å; V816-A819 PolarHBondContact O-N 3.43Å; V816-L820 HydrophobicContact CG1-CD1 4.22Å; V816-L820 WeakPolarHBondContact O-CG 3.37Å; V816-L820 PolarHBondContact O-N 2.94Å |
| 817 | S | 91.1 | Very high | 89.9 | Confident | 18 Ų | 18 | 32 Ų | 32 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 178 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | S813 M814 V815 A819 L820 H821 H862 | S813-S817 WeakPolarHBondContact O-CB 2.98Å; S813-S817 PolarHBondContact O-N 3.44Å; S813-S817 PolarHBondContact O-OG 3.01Å; M814-S817 PolarHBondContact O-N 2.68Å; V815-S817 VanDerWaalsContact C-N 3.27Å; V815-S817 PolarHBondContact O-N 3.49Å; S817-A819 VanDerWaalsContact C-N 3.31Å; S817-A819 PolarHBondContact O-N 3.11Å; S817-L820 PolarHBondContact O-N 3.03Å; S817-H821 VanDerWaalsContact O-CB 3.32Å; S817-H821 WeakPolarHBondContact O-CB 3.41Å; S817-H821 PolarHBondContact O-N 3.08Å; S817-H862 PolarHBondContact OG-CD2 3.12Å |
| 818 | G | 92.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | M814 V815 H821 L822 | M814-G818 PolarHBondContact O-N 3.07Å; V815-G818 PolarHBondContact O-N 2.93Å; G818-H821 PolarHBondContact O-N 2.85Å; G818-L822 WeakPolarHBondContact O-CB 3.26Å; G818-L822 PolarHBondContact O-N 3.35Å |
| 819 | A | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.1 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L778 A806 V815 V816 S817 H821 L822 L823 | L778-A819 HydrophobicContact CD1-CB 3.99Å; A806-A819 HydrophobicContact CB-CB 3.47Å; A806-A819 VanDerWaalsContact CB-CB 3.47Å; V815-A819 WeakPolarHBondContact O-CB 3.48Å; V815-A819 PolarHBondContact O-N 2.71Å; V816-A819 PolarHBondContact O-N 3.43Å; S817-A819 VanDerWaalsContact C-N 3.31Å; S817-A819 PolarHBondContact O-N 3.11Å; A819-H821 VanDerWaalsContact C-N 3.31Å; A819-L822 WeakPolarHBondContact O-CB 3.45Å; A819-L822 PolarHBondContact O-N 3.13Å; A819-L823 PolarHBondContact O-N 3.33Å |
| 820 | L | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | 174.3 | -72.5 | 170.9 | 0 | 0 | 0 | 111.6 | I807 V816 S817 L823 Q824 L849 I852 H862 H865 | I807-L820 HydrophobicContact CD1-CD2 3.65Å; I807-L820 HydrophobicContact CD1-CG 4.24Å; I807-L820 HydrophobicContact CG1-CD2 4.27Å; I807-L820 HydrophobicContact CG1-CG 4.36Å; V816-L820 HydrophobicContact CG1-CD1 4.22Å; V816-L820 WeakPolarHBondContact O-CG 3.37Å; V816-L820 PolarHBondContact O-N 2.94Å; S817-L820 PolarHBondContact O-N 3.03Å; L820-L823 PolarHBondContact O-N 3.37Å; L820-Q824 WeakPolarHBondContact O-CB 3.41Å; L820-Q824 PolarHBondContact O-N 3.24Å; L820-L849 HydrophobicContact CD2-CD2 4.34Å; L820-I852 HydrophobicContact CD2-CD1 4.06Å; L820-H862 HydrophobicContact CD1-CB 3.85Å; L820-H865 HydrophobicContact CB-CB 3.76Å; L820-H865 HydrophobicContact CD1-CB 4.19Å |
| 821 | H | 91.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 27.8 Ų | 27.8 | 22% | 0.218 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 173.6 | -174.3 | 65.1 | 0 | 0 | 0 | 112.1 | S817 G818 A819 Q824 C825 | S817-H821 VanDerWaalsContact O-CB 3.32Å; S817-H821 WeakPolarHBondContact O-CB 3.41Å; S817-H821 PolarHBondContact O-N 3.08Å; G818-H821 PolarHBondContact O-N 2.85Å; A819-H821 VanDerWaalsContact C-N 3.31Å; H821-Q824 WeakPolarHBondContact O-CB 3.49Å; H821-Q824 PolarHBondContact O-N 3.46Å; H821-C825 PolarHBondContact O-N 2.65Å; H821-C825 PolarHBondContact O-SG 2.93Å |
| 822 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.1 | -51.9 | 171.7 | 173.1 | 61 | 0 | 0 | 0 | 109.9 | L778 I781 G782 M799 I803 G818 A819 Q824 C825 L826 | L778-L822 HydrophobicContact CD2-CD2 3.95Å; I781-L822 HydrophobicContact CB-CD1 4.07Å; I781-L822 HydrophobicContact CG2-CD1 3.61Å; I781-L822 HydrophobicContact CG2-CD2 4.48Å; G782-L822 VanDerWaalsContact CA-CD1 3.42Å; M799-L822 HydrophobicContact SD-CD1 4.43Å; I803-L822 HydrophobicContact CD1-CD2 4.04Å; I803-L822 HydrophobicContact CD1-CG 4.02Å; I803-L822 HydrophobicContact CG1-CD2 3.9Å; I803-L822 HydrophobicContact CG1-CG 4.25Å; G818-L822 WeakPolarHBondContact O-CB 3.26Å; G818-L822 PolarHBondContact O-N 3.35Å; A819-L822 WeakPolarHBondContact O-CB 3.45Å; A819-L822 PolarHBondContact O-N 3.13Å; L822-Q824 VanDerWaalsContact C-N 3.3Å; L822-Q824 PolarHBondContact O-N 2.93Å; L822-C825 WeakPolarHBondContact O-CA 3.33Å; L822-C825 WeakPolarHBondContact O-CB 3.13Å; L822-C825 PolarHBondContact O-N 3.39Å; L822-L826 HydrophobicContact CD1-CD2 3.66Å; L822-L826 HydrophobicContact CD1-CG 4.34Å; L822-L826 HydrophobicContact CG-CD2 4.3Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 VanDerWaalsContact O-CG 3.26Å; L822-L826 WeakPolarHBondContact O-CG 3.43Å; L822-L826 PolarHBondContact O-N 3.26Å |
| 823 | L | 91.5 | Very high | 88 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -44.8 | 177.3 | -176.6 | 58 | 0 | 0 | 0 | 112.2 | L800 I803 A819 L820 C825 L826 L827 V845 L849 | L800-L823 HydrophobicContact CD2-CD1 4.28Å; I803-L823 HydrophobicContact CD1-CB 4Å; I803-L823 HydrophobicContact CD1-CD1 4.26Å; I803-L823 HydrophobicContact CG2-CB 4.31Å; I803-L823 HydrophobicContact CG2-CD2 4.38Å; A819-L823 PolarHBondContact O-N 3.33Å; L820-L823 PolarHBondContact O-N 3.37Å; L823-C825 VanDerWaalsContact C-N 3.31Å; L823-C825 PolarHBondContact O-N 3.04Å; L823-L826 PolarHBondContact O-N 3.47Å; L823-L827 HydrophobicContact CG-CD1 4.26Å; L823-L827 WeakPolarHBondContact O-CG 3.18Å; L823-L827 PolarHBondContact O-N 2.93Å; L823-V845 HydrophobicContact CD1-CG1 4.04Å; L823-V845 HydrophobicContact CD2-CG1 4.11Å; L823-L849 HydrophobicContact CD2-CD1 4.23Å; L823-L849 HydrophobicContact CD2-CD2 3.85Å; L823-L849 HydrophobicContact CD2-CG 4.16Å |
| 824 | Q | 90.5 | Very high | 87.7 | Confident | 18 Ų | 18 | 22.4 Ų | 22.4 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 176 | -168.5 | -173.5 | 3.4 | 0 | 0 | 111.4 | L820 H821 L822 L827 Q828 C869 | L820-Q824 WeakPolarHBondContact O-CB 3.41Å; L820-Q824 PolarHBondContact O-N 3.24Å; H821-Q824 WeakPolarHBondContact O-CB 3.49Å; H821-Q824 PolarHBondContact O-N 3.46Å; L822-Q824 VanDerWaalsContact C-N 3.3Å; L822-Q824 PolarHBondContact O-N 2.93Å; Q824-L827 PolarHBondContact O-N 2.97Å; Q824-Q828 WeakPolarHBondContact O-CG 3.28Å; Q824-Q828 PolarHBondContact O-N 2.91Å; Q824-C869 VanDerWaalsContact CA-SG 3.59Å |
| 825 | C | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | G782 R786 H821 L822 L823 Q828 G829 | G782-C825 VanDerWaalsContact O-CB 3.24Å; G782-C825 WeakPolarHBondContact O-CB 3.29Å; R786-C825 HydrophobicContact CB-CB 4.16Å; H821-C825 PolarHBondContact O-N 2.65Å; H821-C825 PolarHBondContact O-SG 2.93Å; L822-C825 WeakPolarHBondContact O-CA 3.33Å; L822-C825 WeakPolarHBondContact O-CB 3.13Å; L822-C825 PolarHBondContact O-N 3.39Å; L823-C825 VanDerWaalsContact C-N 3.31Å; L823-C825 PolarHBondContact O-N 3.04Å; C825-Q828 PolarHBondContact O-N 3.39Å; C825-G829 PolarHBondContact O-N 3.32Å |
| 826 | L | 88.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.6 | -49.4 | -169.2 | 0 | 0 | 0 | 111.4 | M785 F790 L796 M799 I803 L822 L823 G829 C830 F838 | M785-L826 HydrophobicContact CB-CD2 3.94Å; M785-L826 HydrophobicContact CG-CD2 4.29Å; F790-L826 HydrophobicContact CE2-CB 3.92Å; F790-L826 HydrophobicContact CE2-CD2 3.68Å; F790-L826 HydrophobicContact CE2-CG 4.31Å; F790-L826 HydrophobicContact CZ-CB 3.78Å; F790-L826 HydrophobicContact CZ-CD1 4.21Å; F790-L826 HydrophobicContact CZ-CD2 3.35Å; F790-L826 HydrophobicContact CZ-CG 3.9Å; L796-L826 HydrophobicContact CD1-CD1 4.45Å; M799-L826 HydrophobicContact CB-CD1 4.25Å; M799-L826 HydrophobicContact CE-CD2 4.42Å; M799-L826 HydrophobicContact SD-CD1 4.44Å; M799-L826 HydrophobicContact SD-CD2 4Å; I803-L826 HydrophobicContact CD1-CD1 4.02Å; L822-L826 HydrophobicContact CD1-CD2 3.66Å; L822-L826 HydrophobicContact CD1-CG 4.34Å; L822-L826 HydrophobicContact CG-CD2 4.3Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 VanDerWaalsContact O-CG 3.26Å; L822-L826 WeakPolarHBondContact O-CG 3.43Å; L822-L826 PolarHBondContact O-N 3.26Å; L823-L826 PolarHBondContact O-N 3.47Å; L826-G829 PolarHBondContact O-N 3.49Å; L826-C830 PolarHBondContact O-N 3.4Å; L826-C830 VanDerWaalsContact O-N 3.1Å; L826-C830 PolarHBondContact O-SG 3.47Å; L826-F838 HydrophobicContact CB-CE2 4.47Å; L826-F838 HydrophobicContact CB-CZ 4.08Å |
| 827 | L | 87.5 | Confident | 86.1 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 178.6 | -66.2 | 169.7 | 0 | 0 | 0 | 111.6 | L823 Q824 C830 L834 F838 I842 C869 Q872 I873 | L823-L827 HydrophobicContact CG-CD1 4.26Å; L823-L827 WeakPolarHBondContact O-CG 3.18Å; L823-L827 PolarHBondContact O-N 2.93Å; Q824-L827 PolarHBondContact O-N 2.97Å; L827-C830 PolarHBondContact O-N 3.22Å; L827-L834 HydrophobicContact CD2-CD1 3.63Å; L827-F838 HydrophobicContact CD2-CE1 4.38Å; L827-F838 HydrophobicContact CD2-CE2 4.31Å; L827-F838 HydrophobicContact CD2-CZ 4.04Å; L827-I842 HydrophobicContact CD2-CD1 4.29Å; L827-C869 HydrophobicContact CD1-CB 3.66Å; L827-Q872 HydrophobicContact CB-CB 4.25Å; L827-Q872 HydrophobicContact CB-CG 4.44Å; L827-I873 HydrophobicContact CD1-CD1 4.14Å; L827-I873 HydrophobicContact CD1-CG1 4.04Å; L827-I873 HydrophobicContact CD2-CD1 4.2Å; L827-I873 HydrophobicContact CD2-CG1 3.82Å |
| 828 | Q | 85.8 | Confident | 85.7 | Confident | 65 Ų | 65 | 27.3 Ų | 27.3 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.7 | -75.7 | 177.5 | -1.5 | 0 | 0 | 112.2 | R786 Q824 C825 C830 G831 Q872 | R786-Q828 VanDerWaalsContact CD-OE1 3.26Å; R786-Q828 HydrophobicContact CG-CB 4.03Å; Q824-Q828 WeakPolarHBondContact O-CG 3.28Å; Q824-Q828 PolarHBondContact O-N 2.91Å; C825-Q828 PolarHBondContact O-N 3.39Å; Q828-C830 VanDerWaalsContact C-N 3.29Å; Q828-C830 PolarHBondContact O-N 2.94Å; Q828-G831 PolarHBondContact O-N 3.38Å; Q828-Q872 HydrophobicContact CG-CG 3.88Å |
| 829 | G | 82.1 | Confident | 85.3 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -28.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R786 Q789 C825 L826 | R786-G829 WeakPolarHBondContact O-CA 3.32Å; Q789-G829 CarbonylContact C-O 3.12Å; Q789-G829 VanDerWaalsContact C-O 3.27Å; Q789-G829 WeakPolarHBondContact CA-O 3.5Å; C825-G829 PolarHBondContact O-N 3.32Å; L826-G829 PolarHBondContact O-N 3.49Å |
| 830 | C | 82.1 | Confident | 84.7 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.8 | -31.7 | 177.9 | -70.5 | 0 | 0 | 0 | 0 | 113.5 | L826 L827 Q828 D832 R833 L834 I837 F838 | L826-C830 PolarHBondContact O-N 3.4Å; L826-C830 VanDerWaalsContact O-N 3.1Å; L826-C830 PolarHBondContact O-SG 3.47Å; L827-C830 PolarHBondContact O-N 3.22Å; Q828-C830 VanDerWaalsContact C-N 3.29Å; Q828-C830 PolarHBondContact O-N 2.94Å; C830-D832 PolarHBondContact O-N 3.12Å; C830-R833 WeakPolarHBondContact O-CB 3.36Å; C830-R833 PolarHBondContact O-N 3.37Å; C830-L834 HydrophobicContact CB-CB 4.45Å; C830-I837 HydrophobicContact CB-CD1 4.03Å; C830-F838 VanDerWaalsContact SG-CE2 3.57Å |
| 831 | G | 77.6 | Confident | 84.3 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | 50.7 | -128.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q828 R833 L834 | Q828-G831 PolarHBondContact O-N 3.38Å; G831-R833 PolarHBondContact O-N 3.39Å; G831-L834 PolarHBondContact O-N 2.93Å |
| 832 | D | 75.4 | Confident | 84.1 | Confident | 83 Ų | 83 | 37 Ų | 37 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -72.7 | -17.2 | -178.5 | -56.5 | -36.9 | 0 | 0 | 0 | 113.1 | C830 L834 R879 N880 | C830-D832 PolarHBondContact O-N 3.12Å; D832-L834 PolarHBondContact O-N 2.67Å; D832-R879 WeakPolarHBondContact OD1-CD 3.49Å; D832-R879 IonicContact OD1-NH1 2.61Å; D832-N880 PolarHBondContact O-ND2 2.96Å |
| 833 | R | 78.4 | Confident | 83.7 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -82.1 | 7.9 | 178.5 | -71.5 | -177.2 | -69 | 161.1 | 3.2 | 113.9 | Q789 K791 C830 G831 L835 S836 I837 | Q789-R833 PolarHBondContact O-NH2 2.94Å; K791-R833 VanDerWaalsContact CG-NH1 3.33Å; C830-R833 WeakPolarHBondContact O-CB 3.36Å; C830-R833 PolarHBondContact O-N 3.37Å; G831-R833 PolarHBondContact O-N 3.39Å; R833-L835 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 2.78Å; R833-S836 WeakPolarHBondContact CB-OG 3.46Å; R833-S836 PolarHBondContact O-N 3.39Å; R833-S836 PolarHBondContact O-OG 3.45Å; R833-I837 HydrophobicContact CB-CD1 3.78Å; R833-I837 HydrophobicContact CB-CG1 4.37Å; R833-I837 PolarHBondContact O-N 3.22Å |
| 834 | L | 83.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -43.3 | -51.8 | 179.3 | -174.6 | 107.5 | 0 | 0 | 0 | 113.1 | L827 C830 G831 D832 S836 I837 F838 I842 A876 | L827-L834 HydrophobicContact CD2-CD1 3.63Å; C830-L834 HydrophobicContact CB-CB 4.45Å; G831-L834 PolarHBondContact O-N 2.93Å; D832-L834 PolarHBondContact O-N 2.67Å; L834-S836 PolarHBondContact O-N 3.4Å; L834-I837 PolarHBondContact O-N 2.94Å; L834-F838 WeakPolarHBondContact O-CB 3.35Å; L834-F838 PolarHBondContact O-N 3.38Å; L834-I842 HydrophobicContact CD1-CD1 4.15Å; L834-I842 HydrophobicContact CD2-CD1 3.79Å; L834-I842 HydrophobicContact CD2-CG1 3.94Å; L834-I842 HydrophobicContact CG-CD1 4Å; L834-A876 HydrophobicContact CB-CB 4.2Å; L834-A876 HydrophobicContact CD1-CB 4.36Å; L834-A876 HydrophobicContact CD2-CB 4.14Å; L834-A876 HydrophobicContact CG-CB 4.48Å |
| 835 | L | 80.8 | Confident | 83.4 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | -178.4 | -68.6 | 175.3 | 0 | 0 | 0 | 112.9 | R833 I837 G839 I842 M877 N880 | R833-L835 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 2.78Å; L835-I837 VanDerWaalsContact C-N 3.32Å; L835-I837 PolarHBondContact O-N 3.38Å; L835-G839 VanDerWaalsContact O-CA 3.28Å; L835-G839 WeakPolarHBondContact O-CA 3.4Å; L835-G839 PolarHBondContact O-N 2.99Å; L835-I842 HydrophobicContact CD2-CG2 4.39Å; L835-M877 HydrophobicContact CD1-SD 4.2Å; L835-M877 HydrophobicContact CD2-CE 4.07Å; L835-M877 HydrophobicContact CD2-SD 3.79Å; L835-M877 HydrophobicContact CG-SD 4.19Å; L835-N880 HydrophobicContact CD1-CB 4.19Å |
| 836 | S | 80.4 | Confident | 83.4 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.2 | -29.7 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | R833 L834 | R833-S836 WeakPolarHBondContact CB-OG 3.46Å; R833-S836 PolarHBondContact O-N 3.39Å; R833-S836 PolarHBondContact O-OG 3.45Å; L834-S836 PolarHBondContact O-N 3.4Å |
| 837 | I | 80.5 | Confident | 83.5 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -91.9 | -51.3 | -175.8 | -65.2 | 161.2 | 0 | 0 | 0 | 110.8 | F790 L796 C830 R833 L834 L835 | F790-I837 HydrophobicContact CB-CD1 3.72Å; F790-I837 HydrophobicContact CD1-CG2 3.98Å; L796-I837 HydrophobicContact CD1-CG2 4.41Å; L796-I837 HydrophobicContact CD2-CG2 3.98Å; L796-I837 VanDerWaalsContact CD2-O 3.28Å; L796-I837 WeakPolarHBondContact CD2-O 3.36Å; C830-I837 HydrophobicContact CB-CD1 4.03Å; R833-I837 HydrophobicContact CB-CD1 3.78Å; R833-I837 HydrophobicContact CB-CG1 4.37Å; R833-I837 PolarHBondContact O-N 3.22Å; L834-I837 PolarHBondContact O-N 2.94Å; L835-I837 VanDerWaalsContact C-N 3.32Å; L835-I837 PolarHBondContact O-N 3.38Å |
| 838 | F | 83.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.5 | -26.5 | -178.2 | -85 | -108.1 | 0 | 0 | 0 | 112.7 | L796 L800 L826 L827 C830 L834 D840 S841 I842 V845 | L796-F838 HydrophobicContact CD1-CE2 4.16Å; L796-F838 HydrophobicContact CD1-CZ 4.18Å; L800-F838 HydrophobicContact CD1-CE1 4.44Å; L800-F838 HydrophobicContact CD2-CE1 3.91Å; L826-F838 HydrophobicContact CB-CE2 4.47Å; L826-F838 HydrophobicContact CB-CZ 4.08Å; L827-F838 HydrophobicContact CD2-CE1 4.38Å; L827-F838 HydrophobicContact CD2-CE2 4.31Å; L827-F838 HydrophobicContact CD2-CZ 4.04Å; C830-F838 VanDerWaalsContact SG-CE2 3.57Å; L834-F838 WeakPolarHBondContact O-CB 3.35Å; L834-F838 PolarHBondContact O-N 3.38Å; F838-D840 PolarHBondContact O-N 3.14Å; F838-S841 VanDerWaalsContact O-CB 3.25Å; F838-S841 WeakPolarHBondContact O-CB 3.08Å; F838-S841 PolarHBondContact O-N 2.79Å; F838-S841 PolarHBondContact O-OG 2.78Å; F838-I842 HydrophobicContact CB-CB 3.98Å; F838-I842 HydrophobicContact CB-CD1 4.13Å; F838-I842 HydrophobicContact CD1-CD1 4.12Å; F838-I842 HydrophobicContact CG-CD1 4.14Å; F838-V845 HydrophobicContact CE1-CG2 4.38Å |
| 839 | G | 82.5 | Confident | 83.7 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | 47 | -124.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L835 S841 I842 | L835-G839 VanDerWaalsContact O-CA 3.28Å; L835-G839 WeakPolarHBondContact O-CA 3.4Å; L835-G839 PolarHBondContact O-N 2.99Å; G839-S841 PolarHBondContact O-N 3.4Å; G839-I842 VanDerWaalsContact O-CG2 3.3Å; G839-I842 WeakPolarHBondContact O-CG2 3.39Å; G839-I842 PolarHBondContact O-N 3.15Å |
| 840 | D | 82.8 | Confident | 84.1 | Confident | 159 Ų | 159 | 60.8 Ų | 60.8 | 85% | 0.85 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -68 | -18.3 | -178.6 | -60.2 | -31.2 | 0 | 0 | 0 | 114 | F838 I842 P844 | F838-D840 PolarHBondContact O-N 3.14Å; D840-I842 VanDerWaalsContact C-N 3.28Å; D840-I842 PolarHBondContact O-N 3.14Å; D840-P844 WeakPolarHBondContact O-CD 3.04Å |
| 841 | S | 84.5 | Confident | 84.5 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -75.6 | -16 | -178.1 | -53.3 | 0 | 0 | 0 | 0 | 113 | F838 G839 L843 P844 V845 | F838-S841 VanDerWaalsContact O-CB 3.25Å; F838-S841 WeakPolarHBondContact O-CB 3.08Å; F838-S841 PolarHBondContact O-N 2.79Å; F838-S841 PolarHBondContact O-OG 2.78Å; G839-S841 PolarHBondContact O-N 3.4Å; S841-L843 VanDerWaalsContact C-N 3.35Å; S841-L843 PolarHBondContact O-N 2.64Å; S841-P844 WeakPolarHBondContact O-CD 3.42Å; S841-V845 VanDerWaalsContact O-CG2 3.25Å; S841-V845 WeakPolarHBondContact O-CG2 3.27Å; S841-V845 PolarHBondContact O-N 2.69Å; S841-V845 VanDerWaalsContact O-N 3.17Å |
| 842 | I | 86.6 | Confident | 85 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | -175.9 | -163.6 | 60.7 | 0 | 0 | 0 | 112.8 | L827 L834 L835 F838 G839 D840 V845 Y846 I873 | L827-I842 HydrophobicContact CD2-CD1 4.29Å; L834-I842 HydrophobicContact CD1-CD1 4.15Å; L834-I842 HydrophobicContact CD2-CD1 3.79Å; L834-I842 HydrophobicContact CD2-CG1 3.94Å; L834-I842 HydrophobicContact CG-CD1 4Å; L835-I842 HydrophobicContact CD2-CG2 4.39Å; F838-I842 HydrophobicContact CB-CB 3.98Å; F838-I842 HydrophobicContact CB-CD1 4.13Å; F838-I842 HydrophobicContact CD1-CD1 4.12Å; F838-I842 HydrophobicContact CG-CD1 4.14Å; G839-I842 VanDerWaalsContact O-CG2 3.3Å; G839-I842 WeakPolarHBondContact O-CG2 3.39Å; G839-I842 PolarHBondContact O-N 3.15Å; D840-I842 VanDerWaalsContact C-N 3.28Å; D840-I842 PolarHBondContact O-N 3.14Å; I842-V845 PolarHBondContact O-N 2.66Å; I842-Y846 WeakPolarHBondContact O-CB 3.43Å; I842-Y846 PolarHBondContact O-N 3.34Å; I842-I873 HydrophobicContact CD1-CD1 4.21Å; I842-I873 HydrophobicContact CD1-CG1 4.26Å |
| 843 | L | 86.1 | Confident | 85.6 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.6 | -46.5 | -178.3 | 177.8 | 67 | 0 | 0 | 0 | 112.2 | S841 V845 Y846 R847 | S841-L843 VanDerWaalsContact C-N 3.35Å; S841-L843 PolarHBondContact O-N 2.64Å; L843-V845 VanDerWaalsContact C-N 3.34Å; L843-V845 PolarHBondContact O-N 3.26Å; L843-Y846 PolarHBondContact O-N 3.36Å; L843-R847 WeakPolarHBondContact O-CG 3.32Å; L843-R847 PolarHBondContact O-N 3.14Å |
| 844 | P | 87 | Confident | 86.1 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -52.3 | -50.1 | 168.1 | -27.2 | 32.1 | 0 | 0 | 0 | 112.7 | D840 S841 Y846 R847 H848 | D840-P844 WeakPolarHBondContact O-CD 3.04Å; S841-P844 WeakPolarHBondContact O-CD 3.42Å; P844-Y846 PolarHBondContact O-N 3.35Å; P844-R847 PolarHBondContact O-N 2.75Å; P844-H848 WeakPolarHBondContact O-CB 3.43Å; P844-H848 PolarHBondContact O-N 3.42Å |
| 845 | V | 87.7 | Confident | 86.2 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.7 | -46.4 | -179.8 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L800 L823 F838 S841 I842 L843 R847 H848 L849 I873 | L800-V845 HydrophobicContact CD2-CG2 4Å; L823-V845 HydrophobicContact CD1-CG1 4.04Å; L823-V845 HydrophobicContact CD2-CG1 4.11Å; F838-V845 HydrophobicContact CE1-CG2 4.38Å; S841-V845 VanDerWaalsContact O-CG2 3.25Å; S841-V845 WeakPolarHBondContact O-CG2 3.27Å; S841-V845 PolarHBondContact O-N 2.69Å; S841-V845 VanDerWaalsContact O-N 3.17Å; I842-V845 PolarHBondContact O-N 2.66Å; L843-V845 VanDerWaalsContact C-N 3.34Å; L843-V845 PolarHBondContact O-N 3.26Å; V845-R847 PolarHBondContact O-N 3.39Å; V845-H848 PolarHBondContact O-N 3.29Å; V845-L849 HydrophobicContact CG1-CD1 3.88Å; V845-L849 HydrophobicContact CG1-CG 4.44Å; V845-L849 WeakPolarHBondContact O-CB 3.39Å; V845-L849 WeakPolarHBondContact O-CG 3.5Å; V845-L849 PolarHBondContact O-N 3.09Å; V845-I873 HydrophobicContact CG1-CD1 4.46Å |
| 846 | Y | 89.6 | Confident | 86 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 177.2 | 178.4 | -91 | 0 | 0 | 0 | 112.5 | I842 L843 P844 H848 L849 K850 L870 I873 | I842-Y846 WeakPolarHBondContact O-CB 3.43Å; I842-Y846 PolarHBondContact O-N 3.34Å; L843-Y846 PolarHBondContact O-N 3.36Å; P844-Y846 PolarHBondContact O-N 3.35Å; Y846-H848 VanDerWaalsContact C-N 3.34Å; Y846-H848 PolarHBondContact O-N 3.06Å; Y846-L849 PolarHBondContact O-N 2.84Å; Y846-K850 HydrophobicContact CE1-CD 4.14Å; Y846-K850 WeakPolarHBondContact O-CB 3.31Å; Y846-K850 PolarHBondContact O-N 3.09Å; Y846-L870 HydrophobicContact CD2-CD2 3.62Å; Y846-L870 HydrophobicContact CE2-CD2 3.6Å; Y846-L870 HydrophobicContact CG-CD2 4.36Å; Y846-I873 HydrophobicContact CD2-CD1 4.46Å; Y846-I873 HydrophobicContact CD2-CG2 4.15Å |
| 847 | R | 89.8 | Confident | 85.9 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 62% | 0.623 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 178.1 | -72.6 | 175.8 | 179.8 | 172.3 | 0.7 | 111.4 | L843 P844 V845 K850 S851 | L843-R847 WeakPolarHBondContact O-CG 3.32Å; L843-R847 PolarHBondContact O-N 3.14Å; P844-R847 PolarHBondContact O-N 2.75Å; V845-R847 PolarHBondContact O-N 3.39Å; R847-K850 PolarHBondContact O-N 2.93Å; R847-S851 PolarHBondContact O-N 3.2Å |
| 848 | H | 88.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 178.8 | -139.7 | 66.8 | 0 | 0 | 0 | 111.3 | N808 P844 V845 Y846 K850 S851 I852 | N808-H848 PolarHBondContact OD1-NE2 3.18Å; N808-H848 VanDerWaalsContact OD1-NE2 3.1Å; P844-H848 WeakPolarHBondContact O-CB 3.43Å; P844-H848 PolarHBondContact O-N 3.42Å; V845-H848 PolarHBondContact O-N 3.29Å; Y846-H848 VanDerWaalsContact C-N 3.34Å; Y846-H848 PolarHBondContact O-N 3.06Å; H848-K850 VanDerWaalsContact C-N 3.31Å; H848-K850 PolarHBondContact O-N 3.38Å; H848-S851 VanDerWaalsContact O-CB 3.31Å; H848-S851 WeakPolarHBondContact O-CB 3.35Å; H848-S851 PolarHBondContact O-N 2.92Å; H848-S851 VanDerWaalsContact O-N 3.13Å; H848-I852 WeakPolarHBondContact O-CG1 3.46Å; H848-I852 PolarHBondContact O-N 3.32Å |
| 849 | L | 90.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 174.9 | -75.2 | 169.5 | 0 | 0 | 0 | 112.3 | L820 L823 V845 Y846 S851 I852 Y853 A866 C869 L870 I873 | L820-L849 HydrophobicContact CD2-CD2 4.34Å; L823-L849 HydrophobicContact CD2-CD1 4.23Å; L823-L849 HydrophobicContact CD2-CD2 3.85Å; L823-L849 HydrophobicContact CD2-CG 4.16Å; V845-L849 HydrophobicContact CG1-CD1 3.88Å; V845-L849 HydrophobicContact CG1-CG 4.44Å; V845-L849 WeakPolarHBondContact O-CB 3.39Å; V845-L849 WeakPolarHBondContact O-CG 3.5Å; V845-L849 PolarHBondContact O-N 3.09Å; Y846-L849 PolarHBondContact O-N 2.84Å; L849-S851 VanDerWaalsContact C-N 3.33Å; L849-S851 PolarHBondContact O-N 3.34Å; L849-I852 PolarHBondContact O-N 3.49Å; L849-Y853 WeakPolarHBondContact O-CB 3.3Å; L849-Y853 PolarHBondContact O-N 3.47Å; L849-A866 HydrophobicContact CD2-CB 4.08Å; L849-C869 HydrophobicContact CD1-CB 3.55Å; L849-C869 HydrophobicContact CD2-CB 3.71Å; L849-C869 HydrophobicContact CG-CB 4.29Å; L849-L870 HydrophobicContact CB-CD1 4.45Å; L849-L870 HydrophobicContact CB-CD2 3.79Å; L849-L870 HydrophobicContact CB-CG 3.92Å; L849-L870 HydrophobicContact CD1-CD2 4.46Å; L849-I873 HydrophobicContact CD1-CD1 3.79Å |
| 850 | K | 90.1 | Very high | 86 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.7 | -163.9 | 171 | -174.8 | 173 | 0 | 111.8 | Y846 R847 H848 Y853 S854 | Y846-K850 HydrophobicContact CE1-CD 4.14Å; Y846-K850 WeakPolarHBondContact O-CB 3.31Å; Y846-K850 PolarHBondContact O-N 3.09Å; R847-K850 PolarHBondContact O-N 2.93Å; H848-K850 VanDerWaalsContact C-N 3.31Å; H848-K850 PolarHBondContact O-N 3.38Å; K850-Y853 PolarHBondContact O-N 3.24Å; K850-S854 WeakPolarHBondContact O-CB 3.31Å; K850-S854 PolarHBondContact O-N 3.2Å; K850-S854 PolarHBondContact O-OG 2.92Å |
| 851 | S | 89.6 | Confident | 86.2 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | R847 H848 L849 Y853 S854 N855 | R847-S851 PolarHBondContact O-N 3.2Å; H848-S851 VanDerWaalsContact O-CB 3.31Å; H848-S851 WeakPolarHBondContact O-CB 3.35Å; H848-S851 PolarHBondContact O-N 2.92Å; H848-S851 VanDerWaalsContact O-N 3.13Å; L849-S851 VanDerWaalsContact C-N 3.33Å; L849-S851 PolarHBondContact O-N 3.34Å; S851-Y853 PolarHBondContact O-N 2.8Å; S851-S854 PolarHBondContact O-N 2.96Å; S851-S854 PolarHBondContact O-OG 3.33Å; S851-N855 WeakPolarHBondContact O-CB 3.48Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 VanDerWaalsContact O-N 3.08Å |
| 852 | I | 88.7 | Confident | 86.5 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 178.5 | -62.9 | 165.7 | 0 | 0 | 0 | 110.9 | I807 L820 H848 L849 S854 N855 H862 A866 | I807-I852 HydrophobicContact CD1-CD1 3.99Å; I807-I852 HydrophobicContact CG2-CD1 3.71Å; I807-I852 HydrophobicContact CG2-CG1 4.29Å; L820-I852 HydrophobicContact CD2-CD1 4.06Å; H848-I852 WeakPolarHBondContact O-CG1 3.46Å; H848-I852 PolarHBondContact O-N 3.32Å; L849-I852 PolarHBondContact O-N 3.49Å; I852-S854 PolarHBondContact O-N 3.17Å; I852-N855 PolarHBondContact O-N 2.92Å; I852-H862 HydrophobicContact CG2-CB 4.4Å; I852-A866 HydrophobicContact CB-CB 4.13Å; I852-A866 HydrophobicContact CG2-CB 3.83Å |
| 853 | Y | 89.2 | Confident | 86.7 | Confident | 106 Ų | 106 | 84 Ų | 84 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 179.4 | 178.3 | -102.1 | 0 | 0 | 0 | 112.6 | L849 K850 S851 N855 Q867 L870 | L849-Y853 WeakPolarHBondContact O-CB 3.3Å; L849-Y853 PolarHBondContact O-N 3.47Å; K850-Y853 PolarHBondContact O-N 3.24Å; S851-Y853 PolarHBondContact O-N 2.8Å; Y853-N855 VanDerWaalsContact C-N 3.28Å; Y853-N855 PolarHBondContact O-N 2.98Å; Y853-Q867 HydrophobicContact CD2-CB 3.94Å; Y853-Q867 HydrophobicContact CE2-CB 3.88Å; Y853-Q867 HydrophobicContact CE2-CG 4.16Å; Y853-L870 HydrophobicContact CG-CD1 4.38Å |
| 854 | S | 87.3 | Confident | 86.8 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.6 | -16.7 | -179.5 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | K850 S851 I852 H856 | K850-S854 WeakPolarHBondContact O-CB 3.31Å; K850-S854 PolarHBondContact O-N 3.2Å; K850-S854 PolarHBondContact O-OG 2.92Å; S851-S854 PolarHBondContact O-N 2.96Å; S851-S854 PolarHBondContact O-OG 3.33Å; I852-S854 PolarHBondContact O-N 3.17Å; S854-H856 PolarHBondContact O-N 3.24Å; S854-H856 VanDerWaalsContact O-N 3.14Å |
| 855 | N | 85.4 | Confident | 86.8 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | trans | -83.2 | 94 | -177.4 | -171 | -9.2 | 0 | 0 | 0 | 111.2 | S851 I852 Y853 R857 R858 | S851-N855 WeakPolarHBondContact O-CB 3.48Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 VanDerWaalsContact O-N 3.08Å; I852-N855 PolarHBondContact O-N 2.92Å; Y853-N855 VanDerWaalsContact C-N 3.28Å; Y853-N855 PolarHBondContact O-N 2.98Å; N855-R857 PolarHBondContact O-N 3.4Å; N855-R857 WeakPolarHBondContact OD1-CB 3.47Å; N855-R857 PolarHBondContact OD1-N 2.93Å; N855-R857 VanDerWaalsContact OD1-N 3.09Å; N855-R858 HydrophobicContact CB-CG 4.18Å; N855-R858 PolarHBondContact O-N 3.45Å | ||
| 856 | H | 78 | Confident | 86.9 | Confident | 158 Ų | 158 | 81.4 Ų | 81.4 | 73% | 0.731 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -10.3 | 177.3 | -63.4 | -60.1 | 0 | 0 | 0 | 115.2 | S854 | S854-H856 PolarHBondContact O-N 3.24Å; S854-H856 VanDerWaalsContact O-N 3.14Å |
| 857 | R | 76.6 | Confident | 87.1 | Confident | 240 Ų | 240 | 81.3 Ų | 81.3 | 91% | 0.906 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -14 | 174.8 | -59.5 | -174.6 | 177.3 | -164.7 | -0.8 | 113.6 | N855 | N855-R857 PolarHBondContact O-N 3.4Å; N855-R857 WeakPolarHBondContact OD1-CB 3.47Å; N855-R857 PolarHBondContact OD1-N 2.93Å; N855-R857 VanDerWaalsContact OD1-N 3.09Å |
| 858 | R | 80.3 | Confident | 87.1 | Confident | 73 Ų | 73 | 76 Ų | 76 | 28% | 0.275 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -77.2 | 157.1 | 174.2 | -75.2 | -78.5 | -172.3 | 166.1 | 1.1 | 110.4 | I807 N855 R863 | I807-R858 PolarHBondContact O-NH1 2.94Å; I807-R858 PolarHBondContact O-NH2 3.35Å; N855-R858 HydrophobicContact CB-CG 4.18Å; N855-R858 PolarHBondContact O-N 3.45Å; R858-R863 HydrophobicContact CB-CG 4.46Å |
| 859 | E | 83.8 | Confident | 87.1 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | trans | -65 | 151.1 | 178.2 | -66 | -177.3 | -164.7 | 0 | 0 | 111.9 | S813 V861 H862 R863 | S813-E859 VanDerWaalsContact CB-OE1 3.25Å; S813-E859 WeakPolarHBondContact CB-OE1 3.44Å; S813-E859 VanDerWaalsContact CB-OE2 3.31Å; S813-E859 WeakPolarHBondContact CB-OE2 3.17Å; S813-E859 PolarHBondContact OG-OE1 3.23Å; S813-E859 PolarHBondContact OG-OE2 3.16Å; E859-V861 VanDerWaalsContact C-N 3.27Å; E859-V861 PolarHBondContact O-N 3.37Å; E859-H862 PolarHBondContact O-N 2.87Å; E859-H862 VanDerWaalsContact O-N 3.12Å; E859-H862 IonicContact OE2-NE2 3.53Å; E859-R863 PolarHBondContact O-N 3.45Å; E859-R863 VanDerWaalsContact O-N 3.15Å | ||
| 860 | E | 85.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.4 | -39.3 | 179.5 | -95.3 | 171.5 | 172.2 | 0 | 0 | 113.1 | H862 R863 L864 | E860-H862 VanDerWaalsContact C-N 3.31Å; E860-H862 PolarHBondContact O-N 2.7Å; E860-R863 PolarHBondContact O-N 3.47Å; E860-R863 IonicContact OE1-NH2 2.69Å; E860-L864 WeakPolarHBondContact O-CB 3.32Å; E860-L864 PolarHBondContact O-N 3.33Å |
| 861 | V | 86.5 | Confident | 87.2 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | E859 L864 H865 | E859-V861 VanDerWaalsContact C-N 3.27Å; E859-V861 PolarHBondContact O-N 3.37Å; V861-L864 PolarHBondContact O-N 3.46Å; V861-H865 PolarHBondContact O-N 3.14Å |
| 862 | H | 90.3 | Very high | 87 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 178.1 | -55.1 | 165.1 | 0 | 0 | 0 | 111.2 | S813 S817 L820 I852 E859 E860 L864 A866 | S813-H862 PolarHBondContact O-NE2 3.39Å; S813-H862 PolarHBondContact OG-CE1 3Å; S813-H862 PolarHBondContact OG-NE2 3.09Å; S817-H862 PolarHBondContact OG-CD2 3.12Å; L820-H862 HydrophobicContact CD1-CB 3.85Å; I852-H862 HydrophobicContact CG2-CB 4.4Å; E859-H862 PolarHBondContact O-N 2.87Å; E859-H862 VanDerWaalsContact O-N 3.12Å; E859-H862 IonicContact OE2-NE2 3.53Å; E860-H862 VanDerWaalsContact C-N 3.31Å; E860-H862 PolarHBondContact O-N 2.7Å; H862-L864 VanDerWaalsContact C-N 3.34Å; H862-A866 VanDerWaalsContact O-CB 3.32Å; H862-A866 WeakPolarHBondContact O-CB 3.09Å; H862-A866 PolarHBondContact O-N 3.12Å |
| 863 | R | 91 | Very high | 86.9 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 177 | -63.3 | -170.7 | -56.1 | 150.3 | 1.7 | 111.5 | R858 E859 E860 A866 Q867 | R858-R863 HydrophobicContact CB-CG 4.46Å; E859-R863 PolarHBondContact O-N 3.45Å; E859-R863 VanDerWaalsContact O-N 3.15Å; E860-R863 PolarHBondContact O-N 3.47Å; E860-R863 IonicContact OE1-NH2 2.69Å; R863-A866 PolarHBondContact O-N 3.05Å; R863-Q867 WeakPolarHBondContact O-CB 3.35Å; R863-Q867 PolarHBondContact O-N 2.86Å |
| 864 | L | 89.1 | Confident | 86.9 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 176.3 | -178.1 | 66.3 | 0 | 0 | 0 | 111.2 | E860 V861 H862 A866 Q867 L868 | E860-L864 WeakPolarHBondContact O-CB 3.32Å; E860-L864 PolarHBondContact O-N 3.33Å; V861-L864 PolarHBondContact O-N 3.46Å; H862-L864 VanDerWaalsContact C-N 3.34Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.08Å; L864-Q867 WeakPolarHBondContact O-CB 3.09Å; L864-Q867 PolarHBondContact O-N 2.73Å; L864-L868 HydrophobicContact CG-CD1 4.41Å; L864-L868 WeakPolarHBondContact O-CG 3.39Å; L864-L868 PolarHBondContact O-N 3.18Å |
| 865 | H | 86.3 | Confident | 86.7 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.7 | -80.2 | -13.2 | 0 | 0 | 0 | 112.3 | L820 V861 Q867 L868 C869 | L820-H865 HydrophobicContact CB-CB 3.76Å; L820-H865 HydrophobicContact CD1-CB 4.19Å; V861-H865 PolarHBondContact O-N 3.14Å; H865-Q867 VanDerWaalsContact C-N 3.33Å; H865-Q867 PolarHBondContact O-N 2.95Å; H865-L868 PolarHBondContact O-N 2.92Å; H865-C869 PolarHBondContact O-N 3.38Å; H865-C869 PolarHBondContact O-SG 3.25Å |
| 866 | A | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L849 I852 H862 R863 L864 C869 L870 | L849-A866 HydrophobicContact CD2-CB 4.08Å; I852-A866 HydrophobicContact CB-CB 4.13Å; I852-A866 HydrophobicContact CG2-CB 3.83Å; H862-A866 VanDerWaalsContact O-CB 3.32Å; H862-A866 WeakPolarHBondContact O-CB 3.09Å; H862-A866 PolarHBondContact O-N 3.12Å; R863-A866 PolarHBondContact O-N 3.05Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.08Å; A866-C869 PolarHBondContact O-N 2.98Å; A866-L870 VanDerWaalsContact O-CG 3.3Å; A866-L870 WeakPolarHBondContact O-CG 3.47Å; A866-L870 PolarHBondContact O-N 3.15Å |
| 867 | Q | 92.2 | Very high | 86.7 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.7 | -178 | -178.2 | -23.3 | 0 | 0 | 111.5 | Y853 R863 L864 H865 C869 L870 E871 | Y853-Q867 HydrophobicContact CD2-CB 3.94Å; Y853-Q867 HydrophobicContact CE2-CB 3.88Å; Y853-Q867 HydrophobicContact CE2-CG 4.16Å; R863-Q867 WeakPolarHBondContact O-CB 3.35Å; R863-Q867 PolarHBondContact O-N 2.86Å; L864-Q867 WeakPolarHBondContact O-CB 3.09Å; L864-Q867 PolarHBondContact O-N 2.73Å; H865-Q867 VanDerWaalsContact C-N 3.33Å; H865-Q867 PolarHBondContact O-N 2.95Å; Q867-C869 VanDerWaalsContact C-N 3.3Å; Q867-C869 PolarHBondContact O-N 2.9Å; Q867-L870 WeakPolarHBondContact O-CB 3.47Å; Q867-L870 PolarHBondContact O-N 3.41Å; Q867-L870 VanDerWaalsContact O-N 3.12Å; Q867-E871 PolarHBondContact NE2-OE1 3.35Å; Q867-E871 PolarHBondContact O-N 3.39Å |
| 868 | L | 89.8 | Confident | 87 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 179.3 | -68.2 | 169.7 | 0 | 0 | 0 | 111.5 | L864 H865 E871 Q872 | L864-L868 HydrophobicContact CG-CD1 4.41Å; L864-L868 WeakPolarHBondContact O-CG 3.39Å; L864-L868 PolarHBondContact O-N 3.18Å; H865-L868 PolarHBondContact O-N 2.92Å; L868-E871 PolarHBondContact O-N 3.43Å; L868-Q872 PolarHBondContact O-N 3.29Å; L868-Q872 PolarHBondContact O-OE1 3.33Å; L868-Q872 VanDerWaalsContact O-OE1 3.08Å |
| 869 | C | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 175 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | Q824 L827 L849 H865 A866 Q867 Q872 I873 | Q824-C869 VanDerWaalsContact CA-SG 3.59Å; L827-C869 HydrophobicContact CD1-CB 3.66Å; L849-C869 HydrophobicContact CD1-CB 3.55Å; L849-C869 HydrophobicContact CD2-CB 3.71Å; L849-C869 HydrophobicContact CG-CB 4.29Å; H865-C869 PolarHBondContact O-N 3.38Å; H865-C869 PolarHBondContact O-SG 3.25Å; A866-C869 PolarHBondContact O-N 2.98Å; Q867-C869 VanDerWaalsContact C-N 3.3Å; Q867-C869 PolarHBondContact O-N 2.9Å; C869-Q872 WeakPolarHBondContact O-CB 3.46Å; C869-Q872 PolarHBondContact O-N 3.48Å; C869-I873 WeakPolarHBondContact O-CG1 3.38Å; C869-I873 PolarHBondContact O-N 3.14Å |
| 870 | L | 91.3 | Very high | 86 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.9 | -73.1 | 167.9 | 0 | 0 | 0 | 111.7 | Y846 L849 Y853 A866 Q867 I873 N874 | Y846-L870 HydrophobicContact CD2-CD2 3.62Å; Y846-L870 HydrophobicContact CE2-CD2 3.6Å; Y846-L870 HydrophobicContact CG-CD2 4.36Å; L849-L870 HydrophobicContact CB-CD1 4.45Å; L849-L870 HydrophobicContact CB-CD2 3.79Å; L849-L870 HydrophobicContact CB-CG 3.92Å; L849-L870 HydrophobicContact CD1-CD2 4.46Å; Y853-L870 HydrophobicContact CG-CD1 4.38Å; A866-L870 VanDerWaalsContact O-CG 3.3Å; A866-L870 WeakPolarHBondContact O-CG 3.47Å; A866-L870 PolarHBondContact O-N 3.15Å; Q867-L870 WeakPolarHBondContact O-CB 3.47Å; Q867-L870 PolarHBondContact O-N 3.41Å; Q867-L870 VanDerWaalsContact O-N 3.12Å; L870-I873 PolarHBondContact O-N 3.08Å; L870-N874 WeakPolarHBondContact O-CB 3.44Å; L870-N874 PolarHBondContact O-N 3.31Å; L870-N874 PolarHBondContact O-ND2 3.04Å; L870-N874 VanDerWaalsContact O-ND2 3.14Å |
| 871 | E | 89.7 | Confident | 85 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.3 | -76.1 | 174.9 | -167.3 | 0 | 0 | 111.4 | Q867 L868 I873 N874 V875 | Q867-E871 PolarHBondContact NE2-OE1 3.35Å; Q867-E871 PolarHBondContact O-N 3.39Å; L868-E871 PolarHBondContact O-N 3.43Å; E871-I873 PolarHBondContact O-N 3.11Å; E871-N874 PolarHBondContact O-N 3.02Å; E871-V875 WeakPolarHBondContact O-CG2 3.46Å; E871-V875 PolarHBondContact O-N 2.92Å |
| 872 | Q | 85.2 | Confident | 83.7 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 174 | -112.4 | 99.2 | 46.8 | 0 | 0 | 111.8 | L827 Q828 L868 C869 N874 V875 A876 | L827-Q872 HydrophobicContact CB-CB 4.25Å; L827-Q872 HydrophobicContact CB-CG 4.44Å; Q828-Q872 HydrophobicContact CG-CG 3.88Å; L868-Q872 PolarHBondContact O-N 3.29Å; L868-Q872 PolarHBondContact O-OE1 3.33Å; L868-Q872 VanDerWaalsContact O-OE1 3.08Å; C869-Q872 WeakPolarHBondContact O-CB 3.46Å; C869-Q872 PolarHBondContact O-N 3.48Å; Q872-N874 PolarHBondContact O-N 3.43Å; Q872-V875 PolarHBondContact O-N 3.34Å; Q872-A876 PolarHBondContact O-N 3.29Å |
| 873 | I | 88 | Confident | 81.9 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.6 | -66.4 | 169.2 | 0 | 0 | 0 | 110.5 | L827 I842 V845 Y846 L849 C869 L870 E871 V875 A876 M877 | L827-I873 HydrophobicContact CD1-CD1 4.14Å; L827-I873 HydrophobicContact CD1-CG1 4.04Å; L827-I873 HydrophobicContact CD2-CD1 4.2Å; L827-I873 HydrophobicContact CD2-CG1 3.82Å; I842-I873 HydrophobicContact CD1-CD1 4.21Å; I842-I873 HydrophobicContact CD1-CG1 4.26Å; V845-I873 HydrophobicContact CG1-CD1 4.46Å; Y846-I873 HydrophobicContact CD2-CD1 4.46Å; Y846-I873 HydrophobicContact CD2-CG2 4.15Å; L849-I873 HydrophobicContact CD1-CD1 3.79Å; C869-I873 WeakPolarHBondContact O-CG1 3.38Å; C869-I873 PolarHBondContact O-N 3.14Å; L870-I873 PolarHBondContact O-N 3.08Å; E871-I873 PolarHBondContact O-N 3.11Å; I873-V875 VanDerWaalsContact C-N 3.34Å; I873-V875 PolarHBondContact O-N 3.5Å; I873-A876 PolarHBondContact O-N 2.97Å; I873-M877 HydrophobicContact CG2-CG 4.13Å; I873-M877 WeakPolarHBondContact O-CB 3.4Å; I873-M877 VanDerWaalsContact O-CG 3.26Å; I873-M877 WeakPolarHBondContact O-CG 3.43Å; I873-M877 PolarHBondContact O-N 2.93Å |
| 874 | N | 87.5 | Confident | 79.8 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | -179.2 | -73.3 | -29.7 | 0 | 0 | 0 | 112.3 | L870 E871 Q872 K878 | L870-N874 WeakPolarHBondContact O-CB 3.44Å; L870-N874 PolarHBondContact O-N 3.31Å; L870-N874 PolarHBondContact O-ND2 3.04Å; L870-N874 VanDerWaalsContact O-ND2 3.14Å; E871-N874 PolarHBondContact O-N 3.02Å; Q872-N874 PolarHBondContact O-N 3.43Å; N874-K878 WeakPolarHBondContact O-CB 3.46Å; N874-K878 WeakPolarHBondContact O-CG 3.38Å; N874-K878 PolarHBondContact O-N 2.86Å |
| 875 | V | 85 | Confident | 77.8 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | E871 Q872 I873 M877 K878 R879 | E871-V875 WeakPolarHBondContact O-CG2 3.46Å; E871-V875 PolarHBondContact O-N 2.92Å; Q872-V875 PolarHBondContact O-N 3.34Å; I873-V875 VanDerWaalsContact C-N 3.34Å; I873-V875 PolarHBondContact O-N 3.5Å; V875-M877 PolarHBondContact O-N 2.96Å; V875-K878 PolarHBondContact O-N 2.87Å; V875-R879 PolarHBondContact O-N 2.88Å; V875-R879 VanDerWaalsContact O-N 3.12Å |
| 876 | A | 81.1 | Confident | 75.2 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L834 Q872 I873 R879 N880 | L834-A876 HydrophobicContact CB-CB 4.2Å; L834-A876 HydrophobicContact CD1-CB 4.36Å; L834-A876 HydrophobicContact CD2-CB 4.14Å; L834-A876 HydrophobicContact CG-CB 4.48Å; Q872-A876 PolarHBondContact O-N 3.29Å; I873-A876 PolarHBondContact O-N 2.97Å; A876-R879 PolarHBondContact O-N 3.11Å; A876-N880 PolarHBondContact O-N 3.23Å; A876-N880 VanDerWaalsContact O-N 3.1Å; A876-N880 PolarHBondContact O-ND2 2.71Å |
| 877 | M | 82 | Confident | 74.4 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 35% | 0.345 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 176.3 | -72 | -63.9 | -118.1 | 0 | 0 | 112.2 | L835 I873 V875 R879 N880 L881 | L835-M877 HydrophobicContact CD1-SD 4.2Å; L835-M877 HydrophobicContact CD2-CE 4.07Å; L835-M877 HydrophobicContact CD2-SD 3.79Å; L835-M877 HydrophobicContact CG-SD 4.19Å; I873-M877 HydrophobicContact CG2-CG 4.13Å; I873-M877 WeakPolarHBondContact O-CB 3.4Å; I873-M877 VanDerWaalsContact O-CG 3.26Å; I873-M877 WeakPolarHBondContact O-CG 3.43Å; I873-M877 PolarHBondContact O-N 2.93Å; V875-M877 PolarHBondContact O-N 2.96Å; M877-R879 VanDerWaalsContact C-N 3.3Å; M877-R879 PolarHBondContact O-N 3.15Å; M877-N880 PolarHBondContact O-N 3.13Å; M877-L881 WeakPolarHBondContact O-CB 3.49Å; M877-L881 WeakPolarHBondContact O-CG 3.45Å; M877-L881 PolarHBondContact O-N 2.92Å |
| 878 | K | 81.2 | Confident | 73.5 | Confident | 154 Ų | 154 | 87.6 Ų | 87.6 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.1 | -37.4 | 176.1 | -82.2 | -178.7 | 178.7 | 179.4 | 0 | 112.4 | N874 V875 R882 | N874-K878 WeakPolarHBondContact O-CB 3.46Å; N874-K878 WeakPolarHBondContact O-CG 3.38Å; N874-K878 PolarHBondContact O-N 2.86Å; V875-K878 PolarHBondContact O-N 2.87Å; K878-R882 PolarHBondContact O-N 3.21Å |
| 879 | R | 75.7 | Confident | 72.6 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.9 | -46.6 | 176.1 | -73.9 | -177.3 | -179.2 | 160 | 0.4 | 112 | D832 V875 A876 M877 L881 R882 L883 | D832-R879 WeakPolarHBondContact OD1-CD 3.49Å; D832-R879 IonicContact OD1-NH1 2.61Å; V875-R879 PolarHBondContact O-N 2.88Å; V875-R879 VanDerWaalsContact O-N 3.12Å; A876-R879 PolarHBondContact O-N 3.11Å; M877-R879 VanDerWaalsContact C-N 3.3Å; M877-R879 PolarHBondContact O-N 3.15Å; R879-L881 VanDerWaalsContact C-N 3.29Å; R879-L881 PolarHBondContact O-N 3.28Å; R879-R882 PolarHBondContact O-N 3.25Å; R879-R882 VanDerWaalsContact O-N 3.16Å; R879-L883 PolarHBondContact O-N 3.14Å |
| 880 | N | 68.3 | Low | 71.6 | Confident | 34 Ų | 34 | 94.8 Ų | 94.8 | 18% | 0.182 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 176.8 | -82.6 | -70 | 0 | 0 | 0 | 113.2 | D832 L835 A876 M877 | D832-N880 PolarHBondContact O-ND2 2.96Å; L835-N880 HydrophobicContact CD1-CB 4.19Å; A876-N880 PolarHBondContact O-N 3.23Å; A876-N880 VanDerWaalsContact O-N 3.1Å; A876-N880 PolarHBondContact O-ND2 2.71Å; M877-N880 PolarHBondContact O-N 3.13Å |
| 881 | L | 64.4 | Low | 70.3 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -31.3 | 174.3 | -79.7 | 161 | 0 | 0 | 0 | 113.3 | M877 R879 V885 | M877-L881 WeakPolarHBondContact O-CB 3.49Å; M877-L881 WeakPolarHBondContact O-CG 3.45Å; M877-L881 PolarHBondContact O-N 2.92Å; R879-L881 VanDerWaalsContact C-N 3.29Å; R879-L881 PolarHBondContact O-N 3.28Å; L881-V885 WeakPolarHBondContact O-CG2 3.43Å |
| 882 | R | 58.5 | Low | 69 | Low | 200 Ų | 200 | 100.3 Ų | 100.3 | 76% | 0.755 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.3 | -37.7 | 175.9 | -75.1 | -178.5 | 176.7 | -174.1 | -2.3 | 112.1 | K878 R879 N884 V885 | K878-R882 PolarHBondContact O-N 3.21Å; R879-R882 PolarHBondContact O-N 3.25Å; R879-R882 VanDerWaalsContact O-N 3.16Å; R882-N884 PolarHBondContact O-N 3.21Å; R882-V885 PolarHBondContact O-N 3.5Å |
| 883 | L | 52.3 | Low | 67.9 | Low | 112 Ų | 112 | 103.5 Ų | 103.5 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -11.3 | 179 | -74.6 | 161.9 | 0 | 0 | 0 | 114.8 | R879 | R879-L883 PolarHBondContact O-N 3.14Š|
| 884 | N | 48.5 | Very low | 66.3 | Low | 139 Ų | 139 | 111.2 Ų | 111.2 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -0.6 | 175.6 | -79.5 | -30.1 | 0 | 0 | 0 | 113.2 | R882 | R882-N884 PolarHBondContact O-N 3.21Š|
| 885 | V | 46 | Very low | 64.6 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 76% | 0.764 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -20.8 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | L881 R882 | L881-V885 WeakPolarHBondContact O-CG2 3.43Å; R882-V885 PolarHBondContact O-N 3.5Å |
| 886 | D | 31.7 | Very low | 62.7 | Low | 198 Ų | 198 | 118 Ų | 118 | 100% | 1.059 | 57% | 0.574 | S | S | * | * | trans | -88.1 | 0 | 161.6 | -64.4 | -31.8 | 0 | 0 | 0 | 109.9 |
Retrieved 886 of 886 residues in 879.5 ms
(Link to these results)