| 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 | 30.8 | Very low | 42 | Very low | 236 Ų | 236 | 120.7 Ų | 120.7 | 100% | 1.163 | 68% | 0.683 | S | S | * | * | 0 | 115.2 | 0 | -67.3 | -179.6 | -161.4 | 0 | 0 | 106.1 | V3 | M1-V3 PolarHBondContact O-N 3.01Å; M1-V3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | G | 32 | Very low | 45.9 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 67% | 0.671 | S | S | * | * | trans | -62.9 | 112 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q4 | G2-Q4 VanDerWaalsContact C-N 3.32Å; G2-Q4 PolarHBondContact O-N 3.11Å | ||
| 3 | V | 29.4 | Very low | 49.4 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 70% | 0.697 | 64% | 0.635 | S | S | * | * | trans | -67.9 | 103.5 | 165.8 | 177.6 | 0 | 0 | 0 | 0 | 104.4 | M1 F5 | M1-V3 PolarHBondContact O-N 3.01Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-F5 PolarHBondContact O-N 3.37Å | ||
| 4 | Q | 25.6 | Very low | 52.5 | Low | 189 Ų | 189 | 106.2 Ų | 106.2 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | trans | -56 | 100.3 | 161.8 | -81 | 174.7 | -43.7 | 0 | 0 | 105.1 | G2 A6 | G2-Q4 VanDerWaalsContact C-N 3.32Å; G2-Q4 PolarHBondContact O-N 3.11Å; Q4-A6 VanDerWaalsContact C-N 3.32Å; Q4-A6 PolarHBondContact O-N 3.37Å | ||
| 5 | F | 31.2 | Very low | 55.1 | Low | 184 Ų | 184 | 106.9 Ų | 106.9 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | trans | -56.8 | 110.5 | 157.2 | -70.2 | -83.4 | 0 | 0 | 0 | 103.8 | V3 E7 | V3-F5 PolarHBondContact O-N 3.37Å; F5-E7 PolarHBondContact O-N 3.33Å; F5-E7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | A | 30.7 | Very low | 57.6 | Low | 89 Ų | 89 | 105 Ų | 105 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | trans | -47.5 | 127.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q4 D8 | Q4-A6 VanDerWaalsContact C-N 3.32Å; Q4-A6 PolarHBondContact O-N 3.37Å; A6-D8 PolarHBondContact O-N 3.36Å | ||
| 7 | E | 35.5 | Very low | 59.7 | Low | 164 Ų | 164 | 98.8 Ų | 98.8 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | trans | -55.5 | 87.7 | 179.1 | -72.2 | 166.1 | 167.1 | 0 | 0 | 107.7 | F5 P9 | F5-E7 PolarHBondContact O-N 3.33Å; F5-E7 VanDerWaalsContact O-N 3.16Å; E7-P9 WeakPolarHBondContact O-CD 3.4Å | ||
| 8 | D | 46.8 | Very low | 61.7 | Low | 89 Ų | 89 | 96.7 Ų | 96.7 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | trans | -69.1 | 118.7 | 172.9 | -170.3 | -34.4 | 0 | 0 | 0 | 104 | A6 S10 T11 | A6-D8 PolarHBondContact O-N 3.36Å; D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 WeakPolarHBondContact OD1-CB 3.44Å; D8-S10 PolarHBondContact OD1-N 3.5Å; D8-S10 PolarHBondContact OD1-OG 3.07Å; D8-S10 PolarHBondContact OD2-OG 3.13Å; D8-T11 WeakPolarHBondContact O-CB 3.46Å; D8-T11 PolarHBondContact O-N 2.86Å; D8-T11 PolarHBondContact O-OG1 2.91Å | ||
| 9 | P | 54.8 | Low | 63.4 | Low | 87 Ų | 87 | 99.4 Ų | 99.4 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.1 | -20.2 | -176.1 | 17.8 | -30 | 0 | 0 | 0 | 112.6 | E7 T11 E12 L13 | E7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-T11 VanDerWaalsContact C-N 3.29Å; P9-T11 PolarHBondContact O-N 3.48Å; P9-E12 PolarHBondContact O-N 2.83Å; P9-L13 WeakPolarHBondContact O-CG 3.45Å; P9-L13 PolarHBondContact O-N 2.85Å |
| 10 | S | 67.9 | Low | 65 | Low | 26 Ų | 26 | 98.7 Ų | 98.7 | 18% | 0.182 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -59.5 | -34.7 | 169.4 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | D8 V14 | D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 WeakPolarHBondContact OD1-CB 3.44Å; D8-S10 PolarHBondContact OD1-N 3.5Å; D8-S10 PolarHBondContact OD1-OG 3.07Å; D8-S10 PolarHBondContact OD2-OG 3.13Å; S10-V14 WeakPolarHBondContact O-CB 3.49Å; S10-V14 VanDerWaalsContact O-CG2 3.27Å; S10-V14 WeakPolarHBondContact O-CG2 3.25Å; S10-V14 PolarHBondContact O-N 3.43Å; S10-V14 VanDerWaalsContact O-N 3.08Å |
| 11 | T | 77.7 | Confident | 66.2 | Low | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | -179 | -47 | 0 | 0 | 0 | 0 | 111.1 | D8 P9 V14 M15 | D8-T11 WeakPolarHBondContact O-CB 3.46Å; D8-T11 PolarHBondContact O-N 2.86Å; D8-T11 PolarHBondContact O-OG1 2.91Å; P9-T11 VanDerWaalsContact C-N 3.29Å; P9-T11 PolarHBondContact O-N 3.48Å; T11-V14 PolarHBondContact O-N 3.29Å; T11-M15 HydrophobicContact CG2-SD 4.5Å; T11-M15 WeakPolarHBondContact O-CG 3.23Å; T11-M15 PolarHBondContact O-N 2.93Å |
| 12 | E | 88.1 | Confident | 69 | Low | 115 Ų | 115 | 86.1 Ų | 86.1 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177 | -66 | -174.8 | 162.8 | 0 | 0 | 111.4 | P9 V14 M15 E16 | P9-E12 PolarHBondContact O-N 2.83Å; E12-V14 VanDerWaalsContact C-N 3.31Å; E12-V14 PolarHBondContact O-N 3.2Å; E12-M15 PolarHBondContact O-N 3.03Å; E12-E16 PolarHBondContact O-N 3.12Å |
| 13 | L | 92.1 | Very high | 71.6 | Confident | 38 Ų | 38 | 90.7 Ų | 90.7 | 20% | 0.199 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 178.2 | -65.8 | 170.4 | 0 | 0 | 0 | 112.3 | P9 L17 I39 V52 | P9-L13 WeakPolarHBondContact O-CG 3.45Å; P9-L13 PolarHBondContact O-N 2.85Å; L13-L17 WeakPolarHBondContact O-CB 3.18Å; L13-L17 PolarHBondContact O-N 3.12Å; L13-I39 HydrophobicContact CB-CD1 4.25Å; L13-I39 HydrophobicContact CB-CG1 4.39Å; L13-I39 HydrophobicContact CB-CG2 4.31Å; L13-I39 HydrophobicContact CD1-CG2 4.03Å; L13-V52 HydrophobicContact CD2-CG2 3.61Å |
| 14 | V | 91.9 | Very high | 74.2 | Confident | 6 Ų | 6 | 87.5 Ų | 87.5 | 4% | 0.036 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | S10 T11 E12 L17 R18 D32 L35 M36 | S10-V14 WeakPolarHBondContact O-CB 3.49Å; S10-V14 VanDerWaalsContact O-CG2 3.27Å; S10-V14 WeakPolarHBondContact O-CG2 3.25Å; S10-V14 PolarHBondContact O-N 3.43Å; S10-V14 VanDerWaalsContact O-N 3.08Å; T11-V14 PolarHBondContact O-N 3.29Å; E12-V14 VanDerWaalsContact C-N 3.31Å; E12-V14 PolarHBondContact O-N 3.2Å; V14-L17 PolarHBondContact O-N 2.89Å; V14-R18 VanDerWaalsContact O-CB 3.29Å; V14-R18 WeakPolarHBondContact O-CB 3.15Å; V14-R18 PolarHBondContact O-N 2.98Å; V14-D32 HydrophobicContact CG1-CB 4.3Å; V14-L35 HydrophobicContact CG1-CB 3.89Å; V14-L35 HydrophobicContact CG1-CD1 4.05Å; V14-L35 HydrophobicContact CG2-CB 4.36Å; V14-M36 HydrophobicContact CG2-CB 4Å; V14-M36 HydrophobicContact CG2-SD 4.04Å |
| 15 | M | 92.5 | Very high | 77.3 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 58% | 0.576 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 176.7 | -74 | -178.1 | 65.6 | 0 | 0 | 111.9 | T11 E12 R18 Q19 | T11-M15 HydrophobicContact CG2-SD 4.5Å; T11-M15 WeakPolarHBondContact O-CG 3.23Å; T11-M15 PolarHBondContact O-N 2.93Å; E12-M15 PolarHBondContact O-N 3.03Å; M15-R18 PolarHBondContact O-N 2.74Å; M15-Q19 WeakPolarHBondContact O-CB 3.43Å; M15-Q19 PolarHBondContact O-N 2.83Å |
| 16 | E | 93.9 | Very high | 80.1 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 175.5 | -171.9 | -177.9 | 169.6 | 0 | 0 | 111 | E12 R18 Q19 R20 V52 | E12-E16 PolarHBondContact O-N 3.12Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 2.83Å; E16-Q19 WeakPolarHBondContact O-CB 3.46Å; E16-Q19 PolarHBondContact O-N 2.81Å; E16-Q19 VanDerWaalsContact O-N 3.13Å; E16-R20 WeakPolarHBondContact O-CG 3.3Å; E16-R20 PolarHBondContact O-N 3.33Å; E16-R20 IonicContact OE1-CZ 3.12Å; E16-R20 IonicContact OE1-NE 2.71Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 3.04Å; E16-R20 PolarHBondContact OE1-NH2 3.45Å; E16-V52 HydrophobicContact CG-CG1 4.23Å |
| 17 | L | 94.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 177.6 | -179.7 | 60.6 | 0 | 0 | 0 | 111.5 | L13 V14 Q19 R20 V21 L35 W38 I39 V52 A55 E56 L59 | L13-L17 WeakPolarHBondContact O-CB 3.18Å; L13-L17 PolarHBondContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 2.89Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.3Å; L17-R20 PolarHBondContact O-N 2.75Å; L17-V21 HydrophobicContact CD1-CG1 4.43Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.14Å; L17-V21 PolarHBondContact O-N 2.98Å; L17-V21 VanDerWaalsContact O-N 3.15Å; L17-L35 HydrophobicContact CD2-CB 4.3Å; L17-L35 HydrophobicContact CD2-CD2 4.24Å; L17-L35 HydrophobicContact CG-CD2 4.45Å; L17-W38 HydrophobicContact CD2-CB 4.05Å; L17-I39 HydrophobicContact CB-CD1 4.25Å; L17-I39 HydrophobicContact CD2-CD1 3.9Å; L17-I39 HydrophobicContact CD2-CG1 4.1Å; L17-V52 HydrophobicContact CB-CG1 4.18Å; L17-V52 HydrophobicContact CD1-CG1 4.31Å; L17-A55 HydrophobicContact CD1-CB 4.25Å; L17-A55 HydrophobicContact CD2-CB 4.11Å; L17-E56 HydrophobicContact CD1-CB 3.87Å; L17-L59 HydrophobicContact CD1-CD2 4.28Å; L17-L59 HydrophobicContact CD2-CD2 4.2Å; L17-L59 HydrophobicContact CG-CD2 4.23Å |
| 18 | R | 95.5 | Very high | 85.1 | Confident | 61 Ų | 61 | 70 Ų | 70 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56 | -47.9 | 175.5 | -178.4 | 178.3 | -77.5 | 126.6 | 1.7 | 111 | V14 M15 E16 R20 V21 S22 D30 D32 L35 | V14-R18 VanDerWaalsContact O-CB 3.29Å; V14-R18 WeakPolarHBondContact O-CB 3.15Å; V14-R18 PolarHBondContact O-N 2.98Å; M15-R18 PolarHBondContact O-N 2.74Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 2.83Å; R18-R20 VanDerWaalsContact C-N 3.31Å; R18-R20 PolarHBondContact O-N 2.8Å; R18-V21 PolarHBondContact O-N 3.26Å; R18-S22 VanDerWaalsContact O-CA 3.29Å; R18-S22 WeakPolarHBondContact O-CA 3.47Å; R18-S22 VanDerWaalsContact O-CB 3.3Å; R18-S22 WeakPolarHBondContact O-CB 3.13Å; R18-S22 PolarHBondContact O-N 3.46Å; R18-D30 IonicContact CZ-OD1 3.18Å; R18-D30 IonicContact NE-OD1 3.19Å; R18-D30 PolarHBondContact NE-OD1 3.26Å; R18-D30 IonicContact NE-OD2 2.83Å; R18-D30 IonicContact NH2-OD1 2.66Å; R18-D30 PolarHBondContact NH2-OD1 3.34Å; R18-D30 VanDerWaalsContact NH2-OD1 3.12Å; R18-D32 IonicContact CZ-OD1 3.25Å; R18-D32 IonicContact NH1-OD1 2.72Å; R18-D32 PolarHBondContact NH1-OD1 3.07Å; R18-D32 IonicContact NH2-OD1 2.86Å; R18-D32 PolarHBondContact NH2-OD1 2.68Å; R18-L35 HydrophobicContact CB-CD1 3.58Å; R18-L35 HydrophobicContact CG-CD1 4.15Å |
| 19 | Q | 94.3 | Very high | 87.2 | Confident | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | -179 | -173.8 | 178.9 | 5 | 0 | 0 | 111.1 | M15 E16 L17 V21 S22 | M15-Q19 WeakPolarHBondContact O-CB 3.43Å; M15-Q19 PolarHBondContact O-N 2.83Å; E16-Q19 WeakPolarHBondContact O-CB 3.46Å; E16-Q19 PolarHBondContact O-N 2.81Å; E16-Q19 VanDerWaalsContact O-N 3.13Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.3Å; Q19-V21 PolarHBondContact O-N 3.39Å; Q19-S22 PolarHBondContact O-OG 3.07Å |
| 20 | R | 94 | Very high | 89 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | -178.8 | -64.8 | -174.4 | -174.3 | -155.7 | 4.9 | 113.4 | E16 L17 R18 D53 E56 R60 | E16-R20 WeakPolarHBondContact O-CG 3.3Å; E16-R20 PolarHBondContact O-N 3.33Å; E16-R20 IonicContact OE1-CZ 3.12Å; E16-R20 IonicContact OE1-NE 2.71Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 3.04Å; E16-R20 PolarHBondContact OE1-NH2 3.45Å; L17-R20 PolarHBondContact O-N 2.75Å; R18-R20 VanDerWaalsContact C-N 3.31Å; R18-R20 PolarHBondContact O-N 2.8Å; R20-D53 IonicContact CZ-OD1 2.85Å; R20-D53 IonicContact NH1-OD1 3.71Å; R20-D53 PolarHBondContact NH1-OD1 3.18Å; R20-D53 IonicContact NH2-OD1 3.06Å; R20-D53 PolarHBondContact NH2-OD1 2.92Å; R20-E56 WeakPolarHBondContact CD-OE2 3.47Å; R20-E56 IonicContact CZ-OE2 3.66Å; R20-E56 IonicContact NE-OE2 3.58Å; R20-E56 IonicContact NH1-OE2 2.72Å; R20-E56 PolarHBondContact NH1-OE2 3.36Å; R20-R60 PolarHBondContact O-NH2 2.79Å |
| 21 | V | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -103.6 | 6.4 | -177.9 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | L17 R18 Q19 L23 E24 L25 E56 L59 R60 | L17-V21 HydrophobicContact CD1-CG1 4.43Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.14Å; L17-V21 PolarHBondContact O-N 2.98Å; L17-V21 VanDerWaalsContact O-N 3.15Å; R18-V21 PolarHBondContact O-N 3.26Å; Q19-V21 PolarHBondContact O-N 3.39Å; V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 3.15Å; V21-L23 VanDerWaalsContact O-N 3.17Å; V21-E24 PolarHBondContact O-N 3.09Å; V21-L25 HydrophobicContact CG2-CB 4.39Å; V21-L25 HydrophobicContact CG2-CD1 4.31Å; V21-L25 HydrophobicContact CG2-CD2 4.23Å; V21-L25 PolarHBondContact O-N 2.75Å; V21-L25 VanDerWaalsContact O-N 3.12Å; V21-E56 HydrophobicContact CG1-CG 3.96Å; V21-L59 HydrophobicContact CB-CD2 4.43Å; V21-L59 HydrophobicContact CG1-CD2 4.21Å; V21-L59 HydrophobicContact CG2-CD2 3.79Å; V21-R60 HydrophobicContact CG1-CG 4.23Å |
| 22 | S | 89.3 | Confident | 90.9 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -39.4 | -170.7 | 53 | 0 | 0 | 0 | 0 | 115 | R18 Q19 E24 | R18-S22 VanDerWaalsContact O-CA 3.29Å; R18-S22 WeakPolarHBondContact O-CA 3.47Å; R18-S22 VanDerWaalsContact O-CB 3.3Å; R18-S22 WeakPolarHBondContact O-CB 3.13Å; R18-S22 PolarHBondContact O-N 3.46Å; Q19-S22 PolarHBondContact O-OG 3.07Å; S22-E24 PolarHBondContact O-N 2.83Å |
| 23 | L | 85.9 | Confident | 91.2 | Very high | 175 Ų | 175 | 63.3 Ų | 63.3 | 92% | 0.916 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.3 | 179.2 | -65.9 | 174 | 0 | 0 | 0 | 113.5 | V21 | V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 3.15Å; V21-L23 VanDerWaalsContact O-N 3.17Å |
| 24 | E | 84.9 | Confident | 91.4 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -15.8 | -171.2 | -75.5 | -154.5 | -121.1 | 0 | 0 | 113.6 | V21 S22 P26 R60 L63 H64 R67 | V21-E24 PolarHBondContact O-N 3.09Å; S22-E24 PolarHBondContact O-N 2.83Å; E24-P26 WeakPolarHBondContact O-CD 3.29Å; E24-R60 IonicContact OE1-CZ 3.81Å; E24-R60 IonicContact OE1-NH1 3.67Å; E24-R60 PolarHBondContact OE1-NH1 3.44Å; E24-L63 HydrophobicContact CB-CD1 4.06Å; E24-H64 IonicContact OE2-CE1 3.8Å; E24-R67 PolarHBondContact O-NH2 2.91Å; E24-R67 IonicContact OE2-CZ 3.87Å; E24-R67 IonicContact OE2-NH1 3.52Å; E24-R67 PolarHBondContact OE2-NH1 3.04Å; E24-R67 IonicContact OE2-NH2 3.45Å; E24-R67 PolarHBondContact OE2-NH2 2.76Å |
| 25 | L | 89.8 | Confident | 91.5 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | trans | -84.1 | 118 | -169.4 | -163.4 | 66.2 | 0 | 0 | 0 | 111 | V21 Y29 D30 L35 L63 | V21-L25 HydrophobicContact CG2-CB 4.39Å; V21-L25 HydrophobicContact CG2-CD1 4.31Å; V21-L25 HydrophobicContact CG2-CD2 4.23Å; V21-L25 PolarHBondContact O-N 2.75Å; V21-L25 VanDerWaalsContact O-N 3.12Å; L25-Y29 HydrophobicContact CD1-CD1 3.91Å; L25-D30 HydrophobicContact CD2-CB 3.55Å; L25-D30 VanDerWaalsContact CD2-CG 3.46Å; L25-D30 WeakPolarHBondContact CD2-OD1 3.31Å; L25-D30 HydrophobicContact CG-CB 3.92Å; L25-L35 HydrophobicContact CD1-CD2 4.41Å; L25-L35 HydrophobicContact CD2-CD1 4.4Å; L25-L35 HydrophobicContact CD2-CD2 4.13Å; L25-L63 HydrophobicContact CD1-CD1 4.17Å; L25-L63 HydrophobicContact CD1-CD2 4.18Å | ||
| 26 | P | 90.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | -64.9 | 140.3 | 175.7 | -20.5 | 32.7 | 0 | 0 | 0 | 111.6 | E24 S28 Y29 D30 D72 | E24-P26 WeakPolarHBondContact O-CD 3.29Å; P26-S28 PolarHBondContact O-N 3.3Å; P26-Y29 PolarHBondContact O-N 3.46Å; P26-D30 PolarHBondContact O-N 2.97Å; P26-D72 HydrophobicContact CG-CB 4.46Å; P26-D72 WeakPolarHBondContact CG-OD2 3.41Å | ||
| 27 | T | 87.3 | Confident | 91.6 | Very high | 140 Ų | 140 | 54.5 Ų | 54.5 | 86% | 0.859 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.3 | 179.2 | 52 | 0 | 0 | 0 | 0 | 113.6 | Y29 | T27-Y29 VanDerWaalsContact C-N 3.29Š|
| 28 | S | 84.1 | Confident | 91.6 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 51% | 0.51 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.6 | 174.3 | 54 | 0 | 0 | 0 | 0 | 113.4 | P26 | P26-S28 PolarHBondContact O-N 3.3Š|
| 29 | Y | 91.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -27.7 | -177.4 | -168 | -85.6 | 0 | 0 | 0 | 112.7 | L25 P26 T27 T31 N34 W38 L59 H62 L139 | L25-Y29 HydrophobicContact CD1-CD1 3.91Å; P26-Y29 PolarHBondContact O-N 3.46Å; T27-Y29 VanDerWaalsContact C-N 3.29Å; Y29-T31 PolarHBondContact O-N 3.2Å; Y29-N34 HydrophobicContact CD1-CB 4.23Å; Y29-N34 HydrophobicContact CE1-CB 3.8Å; Y29-N34 PolarHBondContact O-ND2 3.32Å; Y29-W38 PolarHBondContact OH-NE1 2.84Å; Y29-L59 HydrophobicContact CE1-CD1 4.09Å; Y29-H62 AromaticContact CE2-NE2 3.63Å; Y29-H62 AromaticContact CZ-CD2 3.93Å; Y29-H62 AromaticContact CZ-NE2 3.8Å; Y29-H62 PolarHBondContact OH-NE2 3.21Å; Y29-L139 HydrophobicContact CD2-CD2 4.23Å; Y29-L139 HydrophobicContact CE2-CD2 3.58Å |
| 30 | D | 92.8 | Very high | 91.3 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | trans | -63.8 | 90.2 | 179.8 | -174.2 | 11.1 | 0 | 0 | 0 | 112.2 | R18 L25 P26 | R18-D30 IonicContact CZ-OD1 3.18Å; R18-D30 IonicContact NE-OD1 3.19Å; R18-D30 PolarHBondContact NE-OD1 3.26Å; R18-D30 IonicContact NE-OD2 2.83Å; R18-D30 IonicContact NH2-OD1 2.66Å; R18-D30 PolarHBondContact NH2-OD1 3.34Å; R18-D30 VanDerWaalsContact NH2-OD1 3.12Å; L25-D30 HydrophobicContact CD2-CB 3.55Å; L25-D30 VanDerWaalsContact CD2-CG 3.46Å; L25-D30 WeakPolarHBondContact CD2-OD1 3.31Å; L25-D30 HydrophobicContact CG-CB 3.92Å; P26-D30 PolarHBondContact O-N 2.97Å | ||
| 31 | T | 93.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 23% | 0.233 | 24% | 0.238 | C | C | . | . | trans | -135.9 | 147.2 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 109.1 | Y29 F33 N34 L35 | Y29-T31 PolarHBondContact O-N 3.2Å; T31-F33 PolarHBondContact O-N 2.92Å; T31-N34 PolarHBondContact O-N 3.14Å; T31-N34 VanDerWaalsContact O-N 3.17Å; T31-N34 WeakPolarHBondContact OG1-CB 3.23Å; T31-N34 VanDerWaalsContact OG1-CG 3.27Å; T31-N34 PolarHBondContact OG1-N 3Å; T31-N34 VanDerWaalsContact OG1-N 3.16Å; T31-N34 PolarHBondContact OG1-ND2 3.17Å; T31-N34 VanDerWaalsContact OG1-ND2 3.14Å; T31-L35 PolarHBondContact O-N 3.5Å; T31-L35 VanDerWaalsContact O-N 3.14Å | ||
| 32 | D | 92.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56 | -37.4 | 176.6 | -66.4 | -24.5 | 0 | 0 | 0 | 111.1 | V14 R18 L35 M36 | V14-D32 HydrophobicContact CG1-CB 4.3Å; R18-D32 IonicContact CZ-OD1 3.25Å; R18-D32 IonicContact NH1-OD1 2.72Å; R18-D32 PolarHBondContact NH1-OD1 3.07Å; R18-D32 IonicContact NH2-OD1 2.86Å; R18-D32 PolarHBondContact NH2-OD1 2.68Å; D32-L35 PolarHBondContact O-N 2.96Å; D32-M36 WeakPolarHBondContact O-CB 3.47Å; D32-M36 PolarHBondContact O-N 2.86Å |
| 33 | F | 93.9 | Very high | 90.9 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 23% | 0.232 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 178.5 | -59.1 | -64.4 | 0 | 0 | 0 | 112.8 | T31 M36 R37 E146 G150 R152 | T31-F33 PolarHBondContact O-N 2.92Å; F33-M36 PolarHBondContact O-N 3.16Å; F33-R37 WeakPolarHBondContact O-CG 3.09Å; F33-R37 PolarHBondContact O-N 3.22Å; F33-R37 VanDerWaalsContact O-N 3.1Å; F33-E146 WeakPolarHBondContact CB-OE2 3.37Å; F33-E146 HydrophobicContact CD2-CB 3.63Å; F33-E146 HydrophobicContact CD2-CG 4.18Å; F33-E146 HydrophobicContact CE2-CB 3.9Å; F33-E146 HydrophobicContact CG-CB 4.32Å; F33-E146 HydrophobicContact CG-CG 4.38Å; F33-G150 WeakPolarHBondContact CZ-O 3.35Å; F33-R152 HydrophobicContact CD1-CB 3.63Å; F33-R152 HydrophobicContact CD1-CG 3.99Å; F33-R152 HydrophobicContact CE1-CB 3.82Å |
| 34 | N | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 178 | -73.9 | -24.5 | 0 | 0 | 0 | 111.7 | Y29 T31 M36 R37 N143 | Y29-N34 HydrophobicContact CD1-CB 4.23Å; Y29-N34 HydrophobicContact CE1-CB 3.8Å; Y29-N34 PolarHBondContact O-ND2 3.32Å; T31-N34 PolarHBondContact O-N 3.14Å; T31-N34 VanDerWaalsContact O-N 3.17Å; T31-N34 WeakPolarHBondContact OG1-CB 3.23Å; T31-N34 VanDerWaalsContact OG1-CG 3.27Å; T31-N34 PolarHBondContact OG1-N 3Å; T31-N34 VanDerWaalsContact OG1-N 3.16Å; T31-N34 PolarHBondContact OG1-ND2 3.17Å; T31-N34 VanDerWaalsContact OG1-ND2 3.14Å; N34-M36 VanDerWaalsContact C-N 3.3Å; N34-M36 PolarHBondContact O-N 2.66Å; N34-R37 WeakPolarHBondContact O-CB 3.24Å; N34-R37 PolarHBondContact O-N 2.66Å; N34-R37 PolarHBondContact OD1-NH1 2.68Å; N34-N143 PolarHBondContact ND2-ND2 3.08Å; N34-N143 PolarHBondContact ND2-OD1 3.42Å; N34-N143 PolarHBondContact OD1-OD1 2.85Å |
| 35 | L | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.8 | -63.2 | -176.2 | 0 | 0 | 0 | 111.6 | V14 L17 R18 L25 T31 D32 R37 W38 I39 L59 | V14-L35 HydrophobicContact CG1-CB 3.89Å; V14-L35 HydrophobicContact CG1-CD1 4.05Å; V14-L35 HydrophobicContact CG2-CB 4.36Å; L17-L35 HydrophobicContact CD2-CB 4.3Å; L17-L35 HydrophobicContact CD2-CD2 4.24Å; L17-L35 HydrophobicContact CG-CD2 4.45Å; R18-L35 HydrophobicContact CB-CD1 3.58Å; R18-L35 HydrophobicContact CG-CD1 4.15Å; L25-L35 HydrophobicContact CD1-CD2 4.41Å; L25-L35 HydrophobicContact CD2-CD1 4.4Å; L25-L35 HydrophobicContact CD2-CD2 4.13Å; T31-L35 PolarHBondContact O-N 3.5Å; T31-L35 VanDerWaalsContact O-N 3.14Å; D32-L35 PolarHBondContact O-N 2.96Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 2.83Å; L35-W38 WeakPolarHBondContact O-CB 3.44Å; L35-W38 PolarHBondContact O-N 2.79Å; L35-W38 VanDerWaalsContact O-N 3.11Å; L35-I39 PolarHBondContact O-N 3.43Å; L35-L59 HydrophobicContact CD2-CD2 3.68Å |
| 36 | M | 92.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | 176.3 | -171.7 | 57.6 | 176.9 | 0 | 0 | 112.8 | V14 D32 F33 N34 W38 I39 I40 | V14-M36 HydrophobicContact CG2-CB 4Å; V14-M36 HydrophobicContact CG2-SD 4.04Å; D32-M36 WeakPolarHBondContact O-CB 3.47Å; D32-M36 PolarHBondContact O-N 2.86Å; F33-M36 PolarHBondContact O-N 3.16Å; N34-M36 VanDerWaalsContact C-N 3.3Å; N34-M36 PolarHBondContact O-N 2.66Å; M36-W38 VanDerWaalsContact C-N 3.26Å; M36-W38 PolarHBondContact O-N 3.04Å; M36-I39 PolarHBondContact O-N 3.25Å; M36-I39 HydrophobicContact SD-CB 4.41Å; M36-I40 HydrophobicContact CE-CD1 3.96Å; M36-I40 HydrophobicContact CE-CG1 3.92Å; M36-I40 HydrophobicContact CG-CD1 3.89Å; M36-I40 HydrophobicContact CG-CG1 4.35Å; M36-I40 VanDerWaalsContact O-CG1 3.29Å; M36-I40 WeakPolarHBondContact O-CG1 3.37Å; M36-I40 PolarHBondContact O-N 3.04Å; M36-I40 HydrophobicContact SD-CD1 4.44Å; M36-I40 HydrophobicContact SD-CG1 4.34Å |
| 37 | R | 94.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -37.5 | 173.9 | -68.5 | 171.8 | 173.7 | 95.2 | 12.9 | 111.8 | F33 N34 L35 N41 I142 E146 C153 P192 E193 | F33-R37 WeakPolarHBondContact O-CG 3.09Å; F33-R37 PolarHBondContact O-N 3.22Å; F33-R37 VanDerWaalsContact O-N 3.1Å; N34-R37 WeakPolarHBondContact O-CB 3.24Å; N34-R37 PolarHBondContact O-N 2.66Å; N34-R37 PolarHBondContact OD1-NH1 2.68Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 2.83Å; R37-N41 VanDerWaalsContact O-CB 3.32Å; R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.3Å; R37-N41 VanDerWaalsContact O-N 3.13Å; R37-I142 VanDerWaalsContact NH2-CG2 3.34Å; R37-E146 IonicContact CZ-OE1 3.86Å; R37-E146 IonicContact CZ-OE2 3.37Å; R37-E146 IonicContact NH1-OE1 2.68Å; R37-E146 IonicContact NH1-OE2 3.82Å; R37-E146 PolarHBondContact NH1-OE2 2.94Å; R37-E146 VanDerWaalsContact NH2-CD 3.25Å; R37-E146 IonicContact NH2-OE1 3.89Å; R37-E146 PolarHBondContact NH2-OE1 3.46Å; R37-E146 IonicContact NH2-OE2 2.81Å; R37-E146 PolarHBondContact NH2-OE2 3.25Å; R37-C153 PolarHBondContact NH2-O 3.33Å; R37-P192 HydrophobicContact CB-CG 4.48Å; R37-E193 HydrophobicContact CB-CB 4.19Å; R37-E193 HydrophobicContact CG-CB 4Å |
| 38 | W | 95.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 177.7 | -67 | 100.9 | 0 | 0 | 0 | 112.5 | L17 Y29 L35 M36 N41 A42 A55 N58 L59 H62 E189 P192 | L17-W38 HydrophobicContact CD2-CB 4.05Å; Y29-W38 PolarHBondContact OH-NE1 2.84Å; L35-W38 WeakPolarHBondContact O-CB 3.44Å; L35-W38 PolarHBondContact O-N 2.79Å; L35-W38 VanDerWaalsContact O-N 3.11Å; M36-W38 VanDerWaalsContact C-N 3.26Å; M36-W38 PolarHBondContact O-N 3.04Å; W38-N41 PolarHBondContact O-N 3.48Å; W38-A42 WeakPolarHBondContact O-CB 3.22Å; W38-A42 PolarHBondContact O-N 3.33Å; W38-A55 HydrophobicContact CB-CB 4.19Å; W38-N58 HydrophobicContact CE3-CB 3.85Å; W38-N58 HydrophobicContact CZ3-CB 3.67Å; W38-L59 HydrophobicContact CD2-CB 3.98Å; W38-L59 HydrophobicContact CD2-CD1 4.37Å; W38-L59 HydrophobicContact CE3-CB 4.32Å; W38-L59 HydrophobicContact CG-CB 4.18Å; W38-L59 HydrophobicContact CZ2-CD1 4.21Å; W38-H62 HydrophobicContact CH2-CB 3.48Å; W38-H62 VanDerWaalsContact CH2-CB 3.48Å; W38-H62 AromaticContact CH2-CG 3.84Å; W38-H62 HydrophobicContact CZ2-CB 3.63Å; W38-H62 AromaticContact CZ2-CD2 3.56Å; W38-H62 AromaticContact CZ2-CG 3.62Å; W38-E189 WeakPolarHBondContact CH2-O 3.41Å; W38-E189 WeakPolarHBondContact CZ3-O 3.45Å; W38-P192 HydrophobicContact CD2-CG 3.89Å; W38-P192 HydrophobicContact CE3-CG 3.8Å; W38-P192 HydrophobicContact CH2-CG 3.99Å; W38-P192 HydrophobicContact CZ2-CG 4.08Å; W38-P192 HydrophobicContact CZ3-CG 3.84Å |
| 39 | I | 92.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 176.3 | -62.4 | -63.3 | 0 | 0 | 0 | 110.7 | L13 L17 L35 M36 N41 A42 D43 V52 A55 | L13-I39 HydrophobicContact CB-CD1 4.25Å; L13-I39 HydrophobicContact CB-CG1 4.39Å; L13-I39 HydrophobicContact CB-CG2 4.31Å; L13-I39 HydrophobicContact CD1-CG2 4.03Å; L17-I39 HydrophobicContact CB-CD1 4.25Å; L17-I39 HydrophobicContact CD2-CD1 3.9Å; L17-I39 HydrophobicContact CD2-CG1 4.1Å; L35-I39 PolarHBondContact O-N 3.43Å; M36-I39 PolarHBondContact O-N 3.25Å; M36-I39 HydrophobicContact SD-CB 4.41Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.5Å; I39-A42 PolarHBondContact O-N 3.23Å; I39-D43 PolarHBondContact O-N 3.3Å; I39-V52 HydrophobicContact CD1-CG2 4.12Å; I39-A55 HydrophobicContact CD1-CB 3.82Å |
| 40 | I | 90.2 | Very high | 87.2 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 179.5 | -69.3 | 169.2 | 0 | 0 | 0 | 111.5 | M36 K44 E193 | M36-I40 HydrophobicContact CE-CD1 3.96Å; M36-I40 HydrophobicContact CE-CG1 3.92Å; M36-I40 HydrophobicContact CG-CD1 3.89Å; M36-I40 HydrophobicContact CG-CG1 4.35Å; M36-I40 VanDerWaalsContact O-CG1 3.29Å; M36-I40 WeakPolarHBondContact O-CG1 3.37Å; M36-I40 PolarHBondContact O-N 3.04Å; M36-I40 HydrophobicContact SD-CD1 4.44Å; M36-I40 HydrophobicContact SD-CG1 4.34Å; I40-K44 HydrophobicContact CG2-CD 4.23Å; I40-K44 VanDerWaalsContact O-CG 3.29Å; I40-K44 WeakPolarHBondContact O-CG 3.48Å; I40-K44 PolarHBondContact O-N 2.64Å; I40-K44 VanDerWaalsContact O-N 3.08Å; I40-E193 HydrophobicContact CB-CG 4.31Å; I40-E193 HydrophobicContact CG2-CG 3.88Å |
| 41 | N | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -39.6 | 179.7 | -177.4 | 62.5 | 0 | 0 | 0 | 112.4 | R37 W38 I39 D43 K44 M45 Y188 P192 | R37-N41 VanDerWaalsContact O-CB 3.32Å; R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.3Å; R37-N41 VanDerWaalsContact O-N 3.13Å; W38-N41 PolarHBondContact O-N 3.48Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.5Å; N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 2.89Å; N41-K44 PolarHBondContact O-N 3.16Å; N41-M45 WeakPolarHBondContact O-CG 3.36Å; N41-M45 PolarHBondContact O-N 2.77Å; N41-Y188 PolarHBondContact ND2-O 2.96Å; N41-Y188 WeakPolarHBondContact OD1-CD1 3.37Å; N41-P192 HydrophobicContact CB-CB 3.47Å; N41-P192 VanDerWaalsContact CB-CB 3.47Å; N41-P192 HydrophobicContact CB-CG 4.36Å; N41-P192 VanDerWaalsContact CG-CB 3.48Å |
| 42 | A | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W38 I39 M45 S46 N51 L54 A55 | W38-A42 WeakPolarHBondContact O-CB 3.22Å; W38-A42 PolarHBondContact O-N 3.33Å; I39-A42 PolarHBondContact O-N 3.23Å; A42-M45 PolarHBondContact O-N 2.87Å; A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 2.85Å; A42-S46 PolarHBondContact O-OG 2.75Å; A42-N51 HydrophobicContact CB-CB 4.42Å; A42-N51 WeakPolarHBondContact CB-O 3.34Å; A42-L54 HydrophobicContact CB-CB 4.12Å; A42-L54 HydrophobicContact CB-CD2 4.26Å; A42-L54 HydrophobicContact CB-CG 4.16Å; A42-A55 HydrophobicContact CB-CB 3.79Å |
| 43 | D | 85.8 | Confident | 86.6 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.9 | -72.3 | 0.6 | 0 | 0 | 0 | 111.6 | I39 N41 M45 R47 T48 G50 N51 | I39-D43 PolarHBondContact O-N 3.3Å; N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 2.89Å; D43-M45 VanDerWaalsContact C-N 3.3Å; D43-M45 PolarHBondContact O-N 2.85Å; D43-R47 PolarHBondContact O-N 2.79Å; D43-T48 WeakPolarHBondContact CA-O 3.49Å; D43-G50 VanDerWaalsContact CG-N 3.27Å; D43-G50 PolarHBondContact OD1-N 2.78Å; D43-G50 PolarHBondContact OD2-N 2.88Å; D43-G50 VanDerWaalsContact OD2-N 3.13Å; D43-N51 PolarHBondContact OD1-N 3.19Å |
| 44 | K | 83.1 | Confident | 86.3 | Confident | 78 Ų | 78 | 42.8 Ų | 42.8 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -35.4 | 174.6 | -73.3 | 175 | -175.9 | -176.3 | 0 | 112.7 | I40 N41 E193 | I40-K44 HydrophobicContact CG2-CD 4.23Å; I40-K44 VanDerWaalsContact O-CG 3.29Å; I40-K44 WeakPolarHBondContact O-CG 3.48Å; I40-K44 PolarHBondContact O-N 2.64Å; I40-K44 VanDerWaalsContact O-N 3.08Å; N41-K44 PolarHBondContact O-N 3.16Å; K44-E193 IonicContact NZ-OE1 3.56Å; K44-E193 PolarHBondContact NZ-OE1 3.14Å; K44-E193 IonicContact NZ-OE2 2.85Å; K44-E193 PolarHBondContact NZ-OE2 3.47Å |
| 45 | M | 80.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -79.1 | -46.7 | 179.7 | -75.3 | -173.2 | 172.6 | 0 | 0 | 113.6 | N41 A42 D43 L54 Y188 | N41-M45 WeakPolarHBondContact O-CG 3.36Å; N41-M45 PolarHBondContact O-N 2.77Å; A42-M45 PolarHBondContact O-N 2.87Å; D43-M45 VanDerWaalsContact C-N 3.3Å; D43-M45 PolarHBondContact O-N 2.85Å; M45-L54 HydrophobicContact CB-CD2 3.82Å; M45-L54 HydrophobicContact SD-CD2 4.42Å; M45-Y188 VanDerWaalsContact CE-CB 3.45Å; M45-Y188 HydrophobicContact CE-CD1 3.72Å; M45-Y188 HydrophobicContact CE-CG 4.01Å |
| 46 | S | 75.5 | Confident | 86.2 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -83.2 | -13.4 | -170 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | A42 T48 N51 | A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 2.85Å; A42-S46 PolarHBondContact O-OG 2.75Å; S46-T48 PolarHBondContact O-N 2.79Å; S46-T48 PolarHBondContact OG-N 3.2Å; S46-T48 PolarHBondContact OG-O 3.21Å; S46-T48 VanDerWaalsContact OG-O 3.13Å; S46-T48 PolarHBondContact OG-OG1 3.04Å; S46-N51 WeakPolarHBondContact CB-ND2 3.28Å; S46-N51 WeakPolarHBondContact OG-CB 3.26Å; S46-N51 PolarHBondContact OG-ND2 2.87Å |
| 47 | R | 69.1 | Low | 86 | Confident | 204 Ų | 204 | 48.4 Ų | 48.4 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 64.4 | 10.7 | -173.9 | -46.7 | 176.9 | -178.6 | 176.7 | 1.8 | 114 | D43 | D43-R47 PolarHBondContact O-N 2.79Š|
| 48 | T | 72.9 | Confident | 85.9 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -122.8 | 140.4 | 174.5 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | D43 S46 | D43-T48 WeakPolarHBondContact CA-O 3.49Å; S46-T48 PolarHBondContact O-N 2.79Å; S46-T48 PolarHBondContact OG-N 3.2Å; S46-T48 PolarHBondContact OG-O 3.21Å; S46-T48 VanDerWaalsContact OG-O 3.13Å; S46-T48 PolarHBondContact OG-OG1 3.04Å |
| 49 | S | 76.8 | Confident | 85.9 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 77% | 0.769 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 143.4 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 50 | G | 78.1 | Confident | 85.9 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 27% | 0.268 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 33.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | D43 V52 | D43-G50 VanDerWaalsContact CG-N 3.27Å; D43-G50 PolarHBondContact OD1-N 2.78Å; D43-G50 PolarHBondContact OD2-N 2.88Å; D43-G50 VanDerWaalsContact OD2-N 3.13Å; G50-V52 VanDerWaalsContact C-N 3.26Å; G50-V52 PolarHBondContact O-N 3.19Å |
| 51 | N | 85.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | trans | -79.1 | 75.8 | 179.4 | -164 | -35.1 | 0 | 0 | 0 | 111.9 | A42 D43 S46 D53 L54 A55 | A42-N51 HydrophobicContact CB-CB 4.42Å; A42-N51 WeakPolarHBondContact CB-O 3.34Å; D43-N51 PolarHBondContact OD1-N 3.19Å; S46-N51 WeakPolarHBondContact CB-ND2 3.28Å; S46-N51 WeakPolarHBondContact OG-CB 3.26Å; S46-N51 PolarHBondContact OG-ND2 2.87Å; N51-D53 VanDerWaalsContact C-N 3.29Å; N51-D53 PolarHBondContact O-N 3.35Å; N51-L54 HydrophobicContact CB-CB 4.42Å; N51-L54 PolarHBondContact O-N 3.41Å; N51-L54 VanDerWaalsContact OD1-CB 3.24Å; N51-L54 WeakPolarHBondContact OD1-CB 3.27Å; N51-L54 PolarHBondContact OD1-N 2.85Å; N51-A55 PolarHBondContact O-N 3.47Å; N51-A55 VanDerWaalsContact O-N 3.16Å | ||
| 52 | V | 90.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | L13 E16 L17 I39 G50 L54 A55 E56 | L13-V52 HydrophobicContact CD2-CG2 3.61Å; E16-V52 HydrophobicContact CG-CG1 4.23Å; L17-V52 HydrophobicContact CB-CG1 4.18Å; L17-V52 HydrophobicContact CD1-CG1 4.31Å; I39-V52 HydrophobicContact CD1-CG2 4.12Å; G50-V52 VanDerWaalsContact C-N 3.26Å; G50-V52 PolarHBondContact O-N 3.19Å; V52-L54 PolarHBondContact O-N 3.25Å; V52-A55 PolarHBondContact O-N 3.05Å; V52-E56 VanDerWaalsContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CB 3.42Å; V52-E56 PolarHBondContact O-N 3.45Å |
| 53 | D | 89.8 | Confident | 86.6 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | -179.8 | -60.8 | -38.6 | 0 | 0 | 0 | 112.1 | R20 N51 K57 | R20-D53 IonicContact CZ-OD1 2.85Å; R20-D53 IonicContact NH1-OD1 3.71Å; R20-D53 PolarHBondContact NH1-OD1 3.18Å; R20-D53 IonicContact NH2-OD1 3.06Å; R20-D53 PolarHBondContact NH2-OD1 2.92Å; N51-D53 VanDerWaalsContact C-N 3.29Å; N51-D53 PolarHBondContact O-N 3.35Å; D53-K57 WeakPolarHBondContact O-CB 3.42Å; D53-K57 PolarHBondContact O-N 2.93Å |
| 54 | L | 88.9 | Confident | 87 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 176.5 | -179.2 | 60.6 | 0 | 0 | 0 | 111.4 | A42 M45 N51 V52 K57 N58 | A42-L54 HydrophobicContact CB-CB 4.12Å; A42-L54 HydrophobicContact CB-CD2 4.26Å; A42-L54 HydrophobicContact CB-CG 4.16Å; M45-L54 HydrophobicContact CB-CD2 3.82Å; M45-L54 HydrophobicContact SD-CD2 4.42Å; N51-L54 HydrophobicContact CB-CB 4.42Å; N51-L54 PolarHBondContact O-N 3.41Å; N51-L54 VanDerWaalsContact OD1-CB 3.24Å; N51-L54 WeakPolarHBondContact OD1-CB 3.27Å; N51-L54 PolarHBondContact OD1-N 2.85Å; V52-L54 PolarHBondContact O-N 3.25Å; L54-K57 PolarHBondContact O-N 2.84Å; L54-N58 WeakPolarHBondContact O-CB 3.26Å; L54-N58 VanDerWaalsContact O-CG 3.3Å; L54-N58 PolarHBondContact O-N 3.11Å; L54-N58 PolarHBondContact O-ND2 2.85Å |
| 55 | A | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L17 W38 I39 A42 N51 V52 N58 L59 | L17-A55 HydrophobicContact CD1-CB 4.25Å; L17-A55 HydrophobicContact CD2-CB 4.11Å; W38-A55 HydrophobicContact CB-CB 4.19Å; I39-A55 HydrophobicContact CD1-CB 3.82Å; A42-A55 HydrophobicContact CB-CB 3.79Å; N51-A55 PolarHBondContact O-N 3.47Å; N51-A55 VanDerWaalsContact O-N 3.16Å; V52-A55 PolarHBondContact O-N 3.05Å; A55-N58 PolarHBondContact O-N 3.34Å; A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 2.86Å |
| 56 | E | 94.3 | Very high | 88.2 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -51.1 | 176 | 178.1 | -175.8 | 177.2 | 0 | 0 | 111.1 | L17 R20 V21 V52 N58 L59 R60 | L17-E56 HydrophobicContact CD1-CB 3.87Å; R20-E56 WeakPolarHBondContact CD-OE2 3.47Å; R20-E56 IonicContact CZ-OE2 3.66Å; R20-E56 IonicContact NE-OE2 3.58Å; R20-E56 IonicContact NH1-OE2 2.72Å; R20-E56 PolarHBondContact NH1-OE2 3.36Å; V21-E56 HydrophobicContact CG1-CG 3.96Å; V52-E56 VanDerWaalsContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CB 3.42Å; V52-E56 PolarHBondContact O-N 3.45Å; E56-N58 PolarHBondContact O-N 3.26Å; E56-L59 PolarHBondContact O-N 2.79Å; E56-R60 HydrophobicContact CG-CG 4.47Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 2.87Å; E56-R60 IonicContact OE1-CZ 3.53Å; E56-R60 VanDerWaalsContact OE1-CZ 3.29Å; E56-R60 IonicContact OE1-NE 2.92Å; E56-R60 PolarHBondContact OE1-NE 2.95Å; E56-R60 IonicContact OE1-NH2 3.75Å; E56-R60 PolarHBondContact OE1-NH2 2.68Å |
| 57 | K | 88.7 | Confident | 89 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.1 | -47.4 | -179.8 | -179.3 | 178.8 | -179.6 | 173.3 | 0 | 112.1 | D53 L54 N61 | D53-K57 WeakPolarHBondContact O-CB 3.42Å; D53-K57 PolarHBondContact O-N 2.93Å; L54-K57 PolarHBondContact O-N 2.84Å; K57-N61 PolarHBondContact O-N 3.03Å; K57-N61 VanDerWaalsContact O-N 3.13Å |
| 58 | N | 91.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | -178.9 | -70.1 | -16.3 | 0 | 0 | 0 | 111.4 | W38 L54 A55 E56 N61 H62 | W38-N58 HydrophobicContact CE3-CB 3.85Å; W38-N58 HydrophobicContact CZ3-CB 3.67Å; L54-N58 WeakPolarHBondContact O-CB 3.26Å; L54-N58 VanDerWaalsContact O-CG 3.3Å; L54-N58 PolarHBondContact O-N 3.11Å; L54-N58 PolarHBondContact O-ND2 2.85Å; A55-N58 PolarHBondContact O-N 3.34Å; E56-N58 PolarHBondContact O-N 3.26Å; N58-N61 PolarHBondContact O-N 2.99Å; N58-H62 PolarHBondContact O-N 3.37Å |
| 59 | L | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.5 | 174 | 55.1 | 0 | 0 | 0 | 111.3 | L17 V21 Y29 L35 W38 A55 E56 N61 H62 L63 | L17-L59 HydrophobicContact CD1-CD2 4.28Å; L17-L59 HydrophobicContact CD2-CD2 4.2Å; L17-L59 HydrophobicContact CG-CD2 4.23Å; V21-L59 HydrophobicContact CB-CD2 4.43Å; V21-L59 HydrophobicContact CG1-CD2 4.21Å; V21-L59 HydrophobicContact CG2-CD2 3.79Å; Y29-L59 HydrophobicContact CE1-CD1 4.09Å; L35-L59 HydrophobicContact CD2-CD2 3.68Å; W38-L59 HydrophobicContact CD2-CB 3.98Å; W38-L59 HydrophobicContact CD2-CD1 4.37Å; W38-L59 HydrophobicContact CE3-CB 4.32Å; W38-L59 HydrophobicContact CG-CB 4.18Å; W38-L59 HydrophobicContact CZ2-CD1 4.21Å; A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 2.86Å; E56-L59 PolarHBondContact O-N 2.79Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.22Å; L59-H62 CarbonylContact O-C 3.6Å; L59-H62 WeakPolarHBondContact O-CA 3.38Å; L59-H62 WeakPolarHBondContact O-CB 3.16Å; L59-H62 PolarHBondContact O-N 3.2Å; L59-L63 HydrophobicContact CD1-CD1 4.28Å; L59-L63 HydrophobicContact CD1-CD2 4.13Å; L59-L63 HydrophobicContact CD1-CG 3.95Å; L59-L63 HydrophobicContact CG-CD1 4.27Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 2.94Å |
| 60 | R | 93.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 38 Ų | 38 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 176.1 | -74.4 | -175.8 | -169 | -77.9 | -0.1 | 111.6 | R20 V21 E24 E56 H62 L63 H64 | R20-R60 PolarHBondContact O-NH2 2.79Å; V21-R60 HydrophobicContact CG1-CG 4.23Å; E24-R60 IonicContact OE1-CZ 3.81Å; E24-R60 IonicContact OE1-NH1 3.67Å; E24-R60 PolarHBondContact OE1-NH1 3.44Å; E56-R60 HydrophobicContact CG-CG 4.47Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 2.87Å; E56-R60 IonicContact OE1-CZ 3.53Å; E56-R60 VanDerWaalsContact OE1-CZ 3.29Å; E56-R60 IonicContact OE1-NE 2.92Å; E56-R60 PolarHBondContact OE1-NE 2.95Å; E56-R60 IonicContact OE1-NH2 3.75Å; E56-R60 PolarHBondContact OE1-NH2 2.68Å; R60-H62 VanDerWaalsContact C-N 3.32Å; R60-H62 PolarHBondContact O-N 3.06Å; R60-L63 PolarHBondContact O-N 3.12Å; R60-L63 VanDerWaalsContact O-N 3.16Å; R60-H64 PolarHBondContact O-CD2 3.41Å; R60-H64 PolarHBondContact O-N 2.92Å |
| 61 | N | 93.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 174.4 | -175.5 | 58.6 | 0 | 0 | 0 | 112.2 | K57 N58 L59 H64 F65 | K57-N61 PolarHBondContact O-N 3.03Å; K57-N61 VanDerWaalsContact O-N 3.13Å; N58-N61 PolarHBondContact O-N 2.99Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.22Å; N61-H64 PolarHBondContact O-N 2.95Å; N61-F65 WeakPolarHBondContact O-CD2 3.48Å; N61-F65 PolarHBondContact O-N 2.93Å; N61-F65 VanDerWaalsContact O-N 3.14Å |
| 62 | H | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.3 | 177.9 | 67 | 0 | 0 | 0 | 112.6 | Y29 W38 N58 L59 R60 H64 F65 R66 H190 | Y29-H62 AromaticContact CE2-NE2 3.63Å; Y29-H62 AromaticContact CZ-CD2 3.93Å; Y29-H62 AromaticContact CZ-NE2 3.8Å; Y29-H62 PolarHBondContact OH-NE2 3.21Å; W38-H62 HydrophobicContact CH2-CB 3.48Å; W38-H62 VanDerWaalsContact CH2-CB 3.48Å; W38-H62 AromaticContact CH2-CG 3.84Å; W38-H62 HydrophobicContact CZ2-CB 3.63Å; W38-H62 AromaticContact CZ2-CD2 3.56Å; W38-H62 AromaticContact CZ2-CG 3.62Å; N58-H62 PolarHBondContact O-N 3.37Å; L59-H62 CarbonylContact O-C 3.6Å; L59-H62 WeakPolarHBondContact O-CA 3.38Å; L59-H62 WeakPolarHBondContact O-CB 3.16Å; L59-H62 PolarHBondContact O-N 3.2Å; R60-H62 VanDerWaalsContact C-N 3.32Å; R60-H62 PolarHBondContact O-N 3.06Å; H62-H64 VanDerWaalsContact C-N 3.31Å; H62-H64 PolarHBondContact O-N 2.65Å; H62-F65 WeakPolarHBondContact O-CB 3.29Å; H62-F65 PolarHBondContact O-N 3.2Å; H62-F65 VanDerWaalsContact O-N 3.12Å; H62-R66 WeakPolarHBondContact NE2-CD 3.2Å; H62-R66 WeakPolarHBondContact O-CG 3.31Å; H62-R66 PolarHBondContact O-N 3.46Å; H62-H190 PolarHBondContact CE1-O 2.96Å; H62-H190 AromaticContact CG-ND1 3.91Å; H62-H190 AromaticContact ND1-CG 3.8Å; H62-H190 AromaticContact ND1-ND1 3.34Å; H62-H190 PolarHBondContact ND1-ND1 3.5Å; H62-H190 PolarHBondContact ND1-O 3.06Å |
| 63 | L | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 177.1 | -64.6 | 179.5 | 0 | 0 | 0 | 112 | E24 L25 L59 R60 R66 R67 | E24-L63 HydrophobicContact CB-CD1 4.06Å; L25-L63 HydrophobicContact CD1-CD1 4.17Å; L25-L63 HydrophobicContact CD1-CD2 4.18Å; L59-L63 HydrophobicContact CD1-CD1 4.28Å; L59-L63 HydrophobicContact CD1-CD2 4.13Å; L59-L63 HydrophobicContact CD1-CG 3.95Å; L59-L63 HydrophobicContact CG-CD1 4.27Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 2.94Å; R60-L63 PolarHBondContact O-N 3.12Å; R60-L63 VanDerWaalsContact O-N 3.16Å; L63-R66 PolarHBondContact O-N 2.67Å; L63-R67 WeakPolarHBondContact O-CG 3.32Å; L63-R67 PolarHBondContact O-N 3.43Å |
| 64 | H | 93.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 172.7 | -66.6 | -50.5 | 0 | 0 | 0 | 112.1 | E24 R60 N61 H62 R67 A68 M353 | E24-H64 IonicContact OE2-CE1 3.8Å; R60-H64 PolarHBondContact O-CD2 3.41Å; R60-H64 PolarHBondContact O-N 2.92Å; N61-H64 PolarHBondContact O-N 2.95Å; H62-H64 VanDerWaalsContact C-N 3.31Å; H62-H64 PolarHBondContact O-N 2.65Å; H64-R67 PolarHBondContact O-N 2.96Å; H64-A68 WeakPolarHBondContact O-CB 3.19Å; H64-A68 PolarHBondContact O-N 3.33Å; H64-M353 HydrophobicContact CB-CE 4.36Å; H64-M353 HydrophobicContact CB-SD 4.4Å |
| 65 | F | 95.5 | Very high | 92 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.7 | -90 | -117.2 | 0 | 0 | 0 | 112.3 | N61 H62 R67 A68 L69 F132 H190 M353 P356 L357 L358 | N61-F65 WeakPolarHBondContact O-CD2 3.48Å; N61-F65 PolarHBondContact O-N 2.93Å; N61-F65 VanDerWaalsContact O-N 3.14Å; H62-F65 WeakPolarHBondContact O-CB 3.29Å; H62-F65 PolarHBondContact O-N 3.2Å; H62-F65 VanDerWaalsContact O-N 3.12Å; F65-R67 VanDerWaalsContact C-N 3.33Å; F65-R67 PolarHBondContact O-N 3.2Å; F65-A68 PolarHBondContact O-N 3.49Å; F65-L69 VanDerWaalsContact O-CB 3.3Å; F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 WeakPolarHBondContact O-CG 3.34Å; F65-L69 PolarHBondContact O-N 3.08Å; F65-F132 AromaticContact CD1-CE1 4Å; F65-F132 HydrophobicContact CD1-CE1 4Å; F65-F132 HydrophobicContact CD1-CE2 4.28Å; F65-F132 AromaticContact CD1-CZ 3.58Å; F65-F132 HydrophobicContact CD1-CZ 3.58Å; F65-F132 HydrophobicContact CE1-CE2 4.43Å; F65-F132 AromaticContact CE1-CZ 3.93Å; F65-F132 HydrophobicContact CE1-CZ 3.93Å; F65-H190 AromaticContact CD1-CE1 3.63Å; F65-H190 AromaticContact CD1-NE2 3.48Å; F65-H190 WeakPolarHBondContact CD1-NE2 3.16Å; F65-H190 AromaticContact CD2-CE1 3.56Å; F65-H190 AromaticContact CE1-NE2 3.53Å; F65-H190 AromaticContact CE2-CE1 3.98Å; F65-H190 AromaticContact CG-CE1 3.36Å; F65-H190 WeakPolarHBondContact CG-CE1 3.47Å; F65-H190 AromaticContact CG-NE2 3.72Å; F65-H190 AromaticContact CZ-NE2 3.82Å; F65-M353 HydrophobicContact CD2-CE 4.21Å; F65-M353 HydrophobicContact CD2-SD 3.74Å; F65-M353 HydrophobicContact CE2-CE 3.93Å; F65-M353 HydrophobicContact CE2-SD 3.77Å; F65-P356 HydrophobicContact CD1-CB 3.72Å; F65-P356 HydrophobicContact CE1-CB 3.62Å; F65-P356 HydrophobicContact CG-CB 4.35Å; F65-P356 HydrophobicContact CZ-CB 4.17Å; F65-L357 WeakPolarHBondContact CZ-O 3.29Å; F65-L358 HydrophobicContact CE1-CD2 3.75Å; F65-L358 HydrophobicContact CE1-CG 4.44Å; F65-L358 HydrophobicContact CZ-CD2 4.45Å |
| 66 | R | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 176.5 | -68.7 | -179.1 | 74.5 | 71.5 | 10.1 | 111.5 | H62 L63 L69 H70 L71 D72 E136 | H62-R66 WeakPolarHBondContact NE2-CD 3.2Å; H62-R66 WeakPolarHBondContact O-CG 3.31Å; H62-R66 PolarHBondContact O-N 3.46Å; L63-R66 PolarHBondContact O-N 2.67Å; R66-L69 CarbonylContact O-C 3.57Å; R66-L69 PolarHBondContact O-N 2.96Å; R66-H70 PolarHBondContact O-N 3.38Å; R66-L71 HydrophobicContact CB-CB 4.21Å; R66-L71 HydrophobicContact CG-CB 4.38Å; R66-L71 HydrophobicContact CG-CD1 4.32Å; R66-L71 PolarHBondContact NH2-O 3.25Å; R66-L71 PolarHBondContact O-N 3.18Å; R66-D72 IonicContact CZ-OD1 3.82Å; R66-D72 IonicContact NE-OD1 3.32Å; R66-D72 PolarHBondContact NE-OD1 3.41Å; R66-D72 IonicContact NE-OD2 3.52Å; R66-D72 IonicContact NH2-OD1 3.16Å; R66-D72 PolarHBondContact NH2-OD1 3.4Å; R66-E136 IonicContact CZ-OE1 3.6Å; R66-E136 IonicContact CZ-OE2 3.6Å; R66-E136 IonicContact NH1-OE1 3.06Å; R66-E136 IonicContact NH1-OE2 2.69Å; R66-E136 PolarHBondContact NH1-OE2 2.93Å; R66-E136 IonicContact NH2-OE1 3.98Å; R66-E136 PolarHBondContact NH2-OE1 3.12Å; R66-E136 IonicContact NH2-OE2 2.72Å |
| 67 | R | 92.3 | Very high | 91.6 | Very high | 94 Ų | 94 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -48.8 | 176.3 | -67.4 | 179.7 | -162.9 | 139.5 | 12.5 | 111.6 | E24 L63 H64 F65 L69 H70 | E24-R67 PolarHBondContact O-NH2 2.91Å; E24-R67 IonicContact OE2-CZ 3.87Å; E24-R67 IonicContact OE2-NH1 3.52Å; E24-R67 PolarHBondContact OE2-NH1 3.04Å; E24-R67 IonicContact OE2-NH2 3.45Å; E24-R67 PolarHBondContact OE2-NH2 2.76Å; L63-R67 WeakPolarHBondContact O-CG 3.32Å; L63-R67 PolarHBondContact O-N 3.43Å; H64-R67 PolarHBondContact O-N 2.96Å; F65-R67 VanDerWaalsContact C-N 3.33Å; F65-R67 PolarHBondContact O-N 3.2Å; R67-L69 PolarHBondContact O-N 3.18Å; R67-H70 PolarHBondContact O-N 3.36Å; R67-H70 VanDerWaalsContact O-N 3.13Å |
| 68 | A | 93.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -29.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | H64 F65 M353 | H64-A68 WeakPolarHBondContact O-CB 3.19Å; H64-A68 PolarHBondContact O-N 3.33Å; F65-A68 PolarHBondContact O-N 3.49Å; A68-M353 HydrophobicContact CB-CG 4.27Å; A68-M353 WeakPolarHBondContact CB-O 3.49Å |
| 69 | L | 93.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.9 | 179.4 | -70.5 | 175.9 | 0 | 0 | 0 | 113.9 | F65 R66 R67 L71 I129 F132 P356 | F65-L69 VanDerWaalsContact O-CB 3.3Å; F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 WeakPolarHBondContact O-CG 3.34Å; F65-L69 PolarHBondContact O-N 3.08Å; R66-L69 CarbonylContact O-C 3.57Å; R66-L69 PolarHBondContact O-N 2.96Å; R67-L69 PolarHBondContact O-N 3.18Å; L69-L71 HydrophobicContact CB-CD1 4.2Å; L69-L71 HydrophobicContact CB-CD2 3.98Å; L69-L71 HydrophobicContact CB-CG 3.71Å; L69-L71 HydrophobicContact CD1-CD1 4.32Å; L69-L71 PolarHBondContact O-N 3.1Å; L69-I129 HydrophobicContact CD2-CD1 4.32Å; L69-I129 HydrophobicContact CD2-CG1 3.95Å; L69-I129 HydrophobicContact CD2-CG2 4.2Å; L69-F132 HydrophobicContact CD1-CB 3.85Å; L69-F132 HydrophobicContact CD1-CD1 3.88Å; L69-F132 HydrophobicContact CD1-CD2 3.87Å; L69-F132 HydrophobicContact CD1-CE1 4.39Å; L69-F132 HydrophobicContact CD1-CE2 4.41Å; L69-F132 HydrophobicContact CD1-CG 3.6Å; L69-P356 HydrophobicContact CD2-CG 3.85Å; L69-P356 HydrophobicContact CG-CG 4.16Å |
| 70 | H | 92 | Very high | 91.1 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 35% | 0.352 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33 | -177.5 | -57.1 | -66.9 | 0 | 0 | 0 | 114 | R66 R67 D72 E73 R374 | R66-H70 PolarHBondContact O-N 3.38Å; R67-H70 PolarHBondContact O-N 3.36Å; R67-H70 VanDerWaalsContact O-N 3.13Å; H70-D72 PolarHBondContact O-N 2.87Å; H70-E73 HydrophobicContact CB-CG 4.24Å; H70-E73 IonicContact CG-OE1 3.75Å; H70-E73 IonicContact ND1-OE1 2.63Å; H70-E73 PolarHBondContact ND1-OE1 2.85Å; H70-E73 WeakPolarHBondContact O-CB 3.46Å; H70-E73 PolarHBondContact O-N 3.48Å; H70-R374 PolarHBondContact CE1-NH2 2.96Å |
| 71 | L | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.6 | -175.8 | -58.4 | -177 | 0 | 0 | 0 | 113.8 | R66 L69 V76 F132 E136 R140 | R66-L71 HydrophobicContact CB-CB 4.21Å; R66-L71 HydrophobicContact CG-CB 4.38Å; R66-L71 HydrophobicContact CG-CD1 4.32Å; R66-L71 PolarHBondContact NH2-O 3.25Å; R66-L71 PolarHBondContact O-N 3.18Å; L69-L71 HydrophobicContact CB-CD1 4.2Å; L69-L71 HydrophobicContact CB-CD2 3.98Å; L69-L71 HydrophobicContact CB-CG 3.71Å; L69-L71 HydrophobicContact CD1-CD1 4.32Å; L69-L71 PolarHBondContact O-N 3.1Å; L71-V76 HydrophobicContact CD2-CG2 4.44Å; L71-F132 HydrophobicContact CD1-CD1 4.42Å; L71-E136 HydrophobicContact CB-CG 4.31Å; L71-E136 HydrophobicContact CD2-CB 4.46Å; L71-E136 HydrophobicContact CD2-CG 4.35Å; L71-R140 PolarHBondContact O-NH2 2.98Å |
| 72 | D | 91.1 | Very high | 91 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.9 | 175.5 | -60.9 | -44.5 | 0 | 0 | 0 | 112.6 | P26 R66 H70 | P26-D72 HydrophobicContact CG-CB 4.46Å; P26-D72 WeakPolarHBondContact CG-OD2 3.41Å; R66-D72 IonicContact CZ-OD1 3.82Å; R66-D72 IonicContact NE-OD1 3.32Å; R66-D72 PolarHBondContact NE-OD1 3.41Å; R66-D72 IonicContact NE-OD2 3.52Å; R66-D72 IonicContact NH2-OD1 3.16Å; R66-D72 PolarHBondContact NH2-OD1 3.4Å; H70-D72 PolarHBondContact O-N 2.87Å |
| 73 | E | 87.8 | Confident | 90.7 | Very high | 91 Ų | 91 | 47 Ų | 47 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -78.1 | 150 | 176.7 | -60.7 | -179.3 | -164.1 | 0 | 0 | 110.6 | H70 G75 R140 | H70-E73 HydrophobicContact CB-CG 4.24Å; H70-E73 IonicContact CG-OE1 3.75Å; H70-E73 IonicContact ND1-OE1 2.63Å; H70-E73 PolarHBondContact ND1-OE1 2.85Å; H70-E73 WeakPolarHBondContact O-CB 3.46Å; H70-E73 PolarHBondContact O-N 3.48Å; E73-G75 PolarHBondContact O-N 3.12Å; E73-R140 PolarHBondContact O-NH2 2.93Å |
| 74 | P | 81 | Confident | 90.2 | Very high | 123 Ų | 123 | 47 Ų | 47 | 80% | 0.799 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.8 | -177.8 | 23.8 | -32.7 | 0 | 0 | 0 | 113.3 | V76 R140 | P74-V76 PolarHBondContact O-N 3.08Å; P74-R140 PolarHBondContact O-NH1 2.85Å |
| 75 | G | 80.3 | Confident | 89.9 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 72% | 0.722 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 29.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | E73 | E73-G75 PolarHBondContact O-N 3.12Š|
| 76 | V | 87.5 | Confident | 89.5 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 130.1 | 173.4 | 172 | 0 | 0 | 0 | 0 | 109.1 | L71 P74 T78 E136 R140 | L71-V76 HydrophobicContact CD2-CG2 4.44Å; P74-V76 PolarHBondContact O-N 3.08Å; V76-T78 PolarHBondContact O-N 3.11Å; V76-E136 HydrophobicContact CG1-CB 4.43Å; V76-E136 HydrophobicContact CG1-CG 4.08Å; V76-E136 HydrophobicContact CG2-CG 4.11Å; V76-R140 VanDerWaalsContact CG2-CZ 3.45Å |
| 77 | P | 91.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 135.7 | -177.7 | -27.6 | 36.1 | 0 | 0 | 0 | 112.7 | E81 N82 W133 | P77-E81 HydrophobicContact CB-CB 3.94Å; P77-N82 HydrophobicContact CB-CB 4.45Å; P77-W133 HydrophobicContact CB-CE3 4.42Å; P77-W133 HydrophobicContact CG-CD2 3.9Å; P77-W133 HydrophobicContact CG-CE3 3.78Å; P77-W133 HydrophobicContact CG-CG 4.42Å; P77-W133 HydrophobicContact CG-CH2 4.41Å; P77-W133 HydrophobicContact CG-CZ3 4.04Å |
| 78 | T | 91.7 | Very high | 88.3 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 168.9 | 166.6 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | V76 D80 E81 N82 | V76-T78 PolarHBondContact O-N 3.11Å; T78-D80 PolarHBondContact O-N 2.85Å; T78-E81 WeakPolarHBondContact CB-OE2 3.33Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.06Å; T78-E81 PolarHBondContact N-OE2 3.14Å; T78-E81 PolarHBondContact O-N 3.04Å; T78-E81 VanDerWaalsContact O-N 3.12Å; T78-E81 VanDerWaalsContact OG1-CD 3.23Å; T78-E81 VanDerWaalsContact OG1-CG 3.27Å; T78-E81 WeakPolarHBondContact OG1-CG 3.43Å; T78-E81 PolarHBondContact OG1-N 3.16Å; T78-E81 PolarHBondContact OG1-OE2 3.07Å; T78-N82 PolarHBondContact O-N 3.06Å |
| 79 | W | 87.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -43.4 | 175.3 | -70.3 | 106 | 0 | 0 | 0 | 112.9 | Y85 R92 F95 K134 L137 M138 | W79-Y85 AromaticContact CE3-CD2 3.91Å; W79-Y85 HydrophobicContact CE3-CD2 3.91Å; W79-Y85 AromaticContact CE3-CE2 3.36Å; W79-Y85 HydrophobicContact CE3-CE2 3.36Å; W79-Y85 AromaticContact CE3-CZ 3.87Å; W79-Y85 AromaticContact CZ3-CE2 3.61Å; W79-Y85 HydrophobicContact CZ3-CE2 3.61Å; W79-Y85 AromaticContact CZ3-CZ 3.71Å; W79-Y85 WeakPolarHBondContact CZ3-OH 3.4Å; W79-Y85 WeakPolarHBondContact O-CB 3.46Å; W79-Y85 WeakPolarHBondContact O-CD2 3.47Å; W79-R92 HydrophobicContact CB-CG 4.48Å; W79-R92 HydrophobicContact CD2-CG 4.25Å; W79-R92 HydrophobicContact CE3-CG 3.79Å; W79-R92 HydrophobicContact CZ3-CG 4.42Å; W79-F95 HydrophobicContact CZ2-CG 4.44Å; W79-K134 HydrophobicContact CH2-CG 3.8Å; W79-K134 HydrophobicContact CZ3-CD 4.42Å; W79-K134 HydrophobicContact CZ3-CG 3.71Å; W79-L137 HydrophobicContact CB-CD2 4.27Å; W79-L137 HydrophobicContact CD2-CD2 3.75Å; W79-L137 HydrophobicContact CG-CD2 3.53Å; W79-L137 HydrophobicContact CZ2-CD2 4.39Å; W79-L137 VanDerWaalsContact N-CD2 3.31Å; W79-L137 VanDerWaalsContact NE1-CD2 3.35Å; W79-M138 HydrophobicContact CH2-CE 3.61Å; W79-M138 HydrophobicContact CH2-CG 3.9Å; W79-M138 HydrophobicContact CH2-SD 4.44Å; W79-M138 HydrophobicContact CZ2-CE 4.25Å; W79-M138 HydrophobicContact CZ2-CG 3.82Å |
| 80 | D | 88.5 | Confident | 87 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.7 | -174.7 | -54.8 | -43 | 0 | 0 | 0 | 112.6 | T78 K86 R92 | T78-D80 PolarHBondContact O-N 2.85Å; D80-K86 WeakPolarHBondContact O-CB 3.37Å; D80-R92 VanDerWaalsContact CG-NH1 3.3Å; D80-R92 IonicContact OD1-NH1 3.67Å; D80-R92 PolarHBondContact OD1-NH1 3.36Å; D80-R92 IonicContact OD2-NH1 2.74Å; D80-R92 PolarHBondContact OD2-NH1 3.17Å; D80-R92 VanDerWaalsContact OD2-NH1 3.14Å |
| 81 | E | 92.3 | Very high | 86.5 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -26 | 173.2 | -70.5 | 167.6 | 147.6 | 0 | 0 | 112.7 | P77 T78 P83 | P77-E81 HydrophobicContact CB-CB 3.94Å; T78-E81 WeakPolarHBondContact CB-OE2 3.33Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.06Å; T78-E81 PolarHBondContact N-OE2 3.14Å; T78-E81 PolarHBondContact O-N 3.04Å; T78-E81 VanDerWaalsContact O-N 3.12Å; T78-E81 VanDerWaalsContact OG1-CD 3.23Å; T78-E81 VanDerWaalsContact OG1-CG 3.27Å; T78-E81 WeakPolarHBondContact OG1-CG 3.43Å; T78-E81 PolarHBondContact OG1-N 3.16Å; T78-E81 PolarHBondContact OG1-OE2 3.07Å; E81-P83 WeakPolarHBondContact O-CD 3.29Å |
| 82 | N | 91.4 | Very high | 86 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -64.2 | 119.6 | 178.2 | -174.8 | -21.2 | 0 | 0 | 0 | 109.9 | P77 T78 V84 Y85 K86 Y130 | P77-N82 HydrophobicContact CB-CB 4.45Å; T78-N82 PolarHBondContact O-N 3.06Å; N82-V84 HydrophobicContact CB-CG1 4.48Å; N82-V84 PolarHBondContact O-N 2.95Å; N82-V84 VanDerWaalsContact OD1-CG1 3.28Å; N82-V84 WeakPolarHBondContact OD1-CG1 3.05Å; N82-V84 PolarHBondContact OD1-N 3.17Å; N82-Y85 HydrophobicContact CB-CD2 3.97Å; N82-Y85 HydrophobicContact CB-CE2 4.41Å; N82-Y85 PolarHBondContact O-N 2.93Å; N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 2.91Å; N82-Y130 PolarHBondContact ND2-O 2.88Å; N82-Y130 WeakPolarHBondContact OD1-CB 3.26Å |
| 83 | P | 88.8 | Confident | 85.6 | Confident | 27 Ų | 27 | 55 Ų | 55 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.7 | -31 | -175.3 | -28.4 | 36.3 | 0 | 0 | 0 | 114 | E81 Y85 D87 Y130 W133 | E81-P83 WeakPolarHBondContact O-CD 3.29Å; P83-Y85 PolarHBondContact O-N 3.35Å; P83-Y85 VanDerWaalsContact O-N 3.14Å; P83-D87 VanDerWaalsContact O-CB 3.3Å; P83-D87 WeakPolarHBondContact O-CB 3.21Å; P83-D87 PolarHBondContact O-N 3.17Å; P83-Y130 HydrophobicContact CB-CD2 4.26Å; P83-Y130 HydrophobicContact CB-CE1 4.07Å; P83-Y130 HydrophobicContact CB-CE2 3.68Å; P83-Y130 HydrophobicContact CG-CD1 4.32Å; P83-Y130 HydrophobicContact CG-CE1 3.72Å; P83-Y130 HydrophobicContact CG-CE2 4.27Å; P83-W133 HydrophobicContact CG-CZ3 4.45Å |
| 84 | V | 86.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -31.3 | 178.1 | 80.4 | 0 | 0 | 0 | 0 | 113.1 | N82 L89 L90 M127 Y130 | N82-V84 HydrophobicContact CB-CG1 4.48Å; N82-V84 PolarHBondContact O-N 2.95Å; N82-V84 VanDerWaalsContact OD1-CG1 3.28Å; N82-V84 WeakPolarHBondContact OD1-CG1 3.05Å; N82-V84 PolarHBondContact OD1-N 3.17Å; V84-L89 HydrophobicContact CG2-CB 4.29Å; V84-L89 WeakPolarHBondContact O-CB 3.42Å; V84-L89 PolarHBondContact O-N 2.86Å; V84-L90 HydrophobicContact CG2-CB 3.95Å; V84-L90 HydrophobicContact CG2-CD1 3.59Å; V84-L90 HydrophobicContact CG2-CG 3.67Å; V84-L90 PolarHBondContact O-N 2.91Å; V84-M127 HydrophobicContact CG2-CE 4Å; V84-M127 HydrophobicContact CG2-SD 4.46Å; V84-Y130 HydrophobicContact CB-CD2 3.98Å; V84-Y130 HydrophobicContact CB-CG 4.29Å |
| 85 | Y | 87.2 | Confident | 86 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -104.1 | -40.5 | 178.3 | -52 | -57.3 | 0 | 0 | 0 | 112.4 | W79 N82 P83 D87 R88 L90 R92 K134 | W79-Y85 AromaticContact CE3-CD2 3.91Å; W79-Y85 HydrophobicContact CE3-CD2 3.91Å; W79-Y85 AromaticContact CE3-CE2 3.36Å; W79-Y85 HydrophobicContact CE3-CE2 3.36Å; W79-Y85 AromaticContact CE3-CZ 3.87Å; W79-Y85 AromaticContact CZ3-CE2 3.61Å; W79-Y85 HydrophobicContact CZ3-CE2 3.61Å; W79-Y85 AromaticContact CZ3-CZ 3.71Å; W79-Y85 WeakPolarHBondContact CZ3-OH 3.4Å; W79-Y85 WeakPolarHBondContact O-CB 3.46Å; W79-Y85 WeakPolarHBondContact O-CD2 3.47Å; N82-Y85 HydrophobicContact CB-CD2 3.97Å; N82-Y85 HydrophobicContact CB-CE2 4.41Å; N82-Y85 PolarHBondContact O-N 2.93Å; P83-Y85 PolarHBondContact O-N 3.35Å; P83-Y85 VanDerWaalsContact O-N 3.14Å; Y85-D87 VanDerWaalsContact C-N 3.26Å; Y85-D87 PolarHBondContact O-N 2.91Å; Y85-R88 WeakPolarHBondContact O-CA 3.42Å; Y85-R88 PolarHBondContact O-N 2.98Å; Y85-L90 WeakPolarHBondContact CD1-O 3.33Å; Y85-L90 HydrophobicContact CE1-CB 4.38Å; Y85-R92 VanDerWaalsContact CD1-CA 3.47Å; Y85-R92 HydrophobicContact CD1-CB 3.81Å; Y85-R92 HydrophobicContact CE1-CB 4.23Å; Y85-R92 HydrophobicContact CG-CB 4.1Å; Y85-K134 WeakPolarHBondContact OH-CD 3.44Å; Y85-K134 VanDerWaalsContact OH-CG 3.24Å; Y85-K134 WeakPolarHBondContact OH-CG 3.29Å |
| 86 | K | 86.9 | Confident | 86.4 | Confident | 136 Ų | 136 | 48.8 Ų | 48.8 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -53.5 | -45.9 | 176.2 | -176.1 | -174.2 | 173.3 | -176.5 | 0 | 111.4 | D80 N82 R88 | D80-K86 WeakPolarHBondContact O-CB 3.37Å; N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 2.91Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.21Å |
| 87 | D | 82.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.1 | -179.4 | -56.2 | -29 | 0 | 0 | 0 | 112.2 | P83 Y85 L89 F267 | P83-D87 VanDerWaalsContact O-CB 3.3Å; P83-D87 WeakPolarHBondContact O-CB 3.21Å; P83-D87 PolarHBondContact O-N 3.17Å; Y85-D87 VanDerWaalsContact C-N 3.26Å; Y85-D87 PolarHBondContact O-N 2.91Å; D87-L89 HydrophobicContact CB-CG 4.25Å; D87-L89 PolarHBondContact O-N 2.95Å; D87-F267 HydrophobicContact CB-CE2 4.36Å |
| 88 | R | 78.9 | Confident | 86.6 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 41.2 | 178.1 | -57.1 | 166.3 | 178.7 | -153.8 | 2.2 | 112 | Y85 K86 V263 S265 | Y85-R88 WeakPolarHBondContact O-CA 3.42Å; Y85-R88 PolarHBondContact O-N 2.98Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.21Å; R88-V263 HydrophobicContact CG-CG1 4.23Å; R88-V263 VanDerWaalsContact NH1-CG1 3.26Å; R88-S265 WeakPolarHBondContact O-CA 3.44Å |
| 89 | L | 78.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -72.4 | -46.6 | 172.8 | -61.2 | 174.2 | 0 | 0 | 0 | 109.6 | V84 D87 I118 Q122 M127 F267 | V84-L89 HydrophobicContact CG2-CB 4.29Å; V84-L89 WeakPolarHBondContact O-CB 3.42Å; V84-L89 PolarHBondContact O-N 2.86Å; D87-L89 HydrophobicContact CB-CG 4.25Å; D87-L89 PolarHBondContact O-N 2.95Å; L89-I118 VanDerWaalsContact O-CD1 3.32Å; L89-I118 WeakPolarHBondContact O-CD1 3.36Å; L89-Q122 VanDerWaalsContact CD1-CD 3.48Å; L89-Q122 HydrophobicContact CD1-CG 3.8Å; L89-Q122 HydrophobicContact CD2-CG 3.93Å; L89-Q122 HydrophobicContact CG-CG 4.5Å; L89-M127 HydrophobicContact CD1-SD 4.17Å; L89-F267 HydrophobicContact CD2-CD2 3.47Å; L89-F267 VanDerWaalsContact CD2-CD2 3.47Å; L89-F267 HydrophobicContact CD2-CE2 3.4Å; L89-F267 VanDerWaalsContact CD2-CE2 3.4Å; L89-F267 HydrophobicContact CD2-CG 4.38Å; L89-F267 HydrophobicContact CD2-CZ 4.27Å; L89-F267 HydrophobicContact CG-CE2 4.42Å |
| 90 | L | 81.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -122.6 | 149.7 | 171.6 | -58.8 | 179.5 | 0 | 0 | 0 | 109.8 | V84 Y85 L113 I118 M127 | V84-L90 HydrophobicContact CG2-CB 3.95Å; V84-L90 HydrophobicContact CG2-CD1 3.59Å; V84-L90 HydrophobicContact CG2-CG 3.67Å; V84-L90 PolarHBondContact O-N 2.91Å; Y85-L90 WeakPolarHBondContact CD1-O 3.33Å; Y85-L90 HydrophobicContact CE1-CB 4.38Å; L90-L113 HydrophobicContact CD2-CD1 3.21Å; L90-L113 HydrophobicContact CD2-CD2 4.42Å; L90-L113 HydrophobicContact CD2-CG 4.04Å; L90-I118 HydrophobicContact CD2-CD1 4.09Å; L90-M127 HydrophobicContact CD1-CE 4.15Å; L90-M127 HydrophobicContact CG-CE 4.42Å |
| 91 | P | 81.7 | Confident | 86 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | trans | -71 | 136.8 | 168.8 | 25.3 | -26.2 | 0 | 0 | 0 | 110 | G93 D109 Y110 | P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 2.86Å; P91-D109 WeakPolarHBondContact CG-O 3.43Å; P91-Y110 HydrophobicContact CG-CD1 3.65Å; P91-Y110 HydrophobicContact CG-CE1 3.88Å | ||
| 92 | R | 83.5 | Confident | 85.8 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 33% | 0.328 | 26% | 0.257 | S | S | . | . | trans | -64.6 | -36.5 | 175.9 | 178.6 | -176.3 | 166.8 | 162.4 | -4.4 | 112.2 | W79 D80 Y85 W106 | W79-R92 HydrophobicContact CB-CG 4.48Å; W79-R92 HydrophobicContact CD2-CG 4.25Å; W79-R92 HydrophobicContact CE3-CG 3.79Å; W79-R92 HydrophobicContact CZ3-CG 4.42Å; D80-R92 VanDerWaalsContact CG-NH1 3.3Å; D80-R92 IonicContact OD1-NH1 3.67Å; D80-R92 PolarHBondContact OD1-NH1 3.36Å; D80-R92 IonicContact OD2-NH1 2.74Å; D80-R92 PolarHBondContact OD2-NH1 3.17Å; D80-R92 VanDerWaalsContact OD2-NH1 3.14Å; Y85-R92 VanDerWaalsContact CD1-CA 3.47Å; Y85-R92 HydrophobicContact CD1-CB 3.81Å; Y85-R92 HydrophobicContact CE1-CB 4.23Å; Y85-R92 HydrophobicContact CG-CB 4.1Å; R92-W106 PolarHBondContact O-NE1 3.03Å | ||
| 93 | G | 84.1 | Confident | 86 | Confident | 22 Ų | 22 | 56 Ų | 56 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | trans | 69.8 | -179.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P91 W107 | P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 2.86Å; G93-W107 CarbonylContact C-O 3.57Å; G93-W107 WeakPolarHBondContact CA-O 3.34Å | ||
| 94 | H | 85.8 | Confident | 86.3 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.4 | 176 | -176.2 | 84.4 | 0 | 0 | 0 | 110.3 | E96 W106 W107 L257 F260 | H94-E96 IonicContact CD2-OE2 3.87Å; H94-E96 IonicContact CE1-OE2 2.69Å; H94-E96 VanDerWaalsContact NE2-CB 3.34Å; H94-E96 WeakPolarHBondContact NE2-CB 3.27Å; H94-E96 IonicContact NE2-OE2 3.85Å; H94-E96 PolarHBondContact NE2-OE2 2.78Å; H94-W106 CarbonylContact O-C 3.59Å; H94-W106 WeakPolarHBondContact O-CA 3.46Å; H94-W107 HydrophobicContact CB-CB 4.42Å; H94-W107 PolarHBondContact N-O 3.33Å; H94-W107 PolarHBondContact O-N 3.49Å; H94-L257 HydrophobicContact CB-CD2 3.87Å; H94-L257 WeakPolarHBondContact CD2-CD2 3.47Å; H94-L257 VanDerWaalsContact CG-CD2 3.5Å; H94-F260 HydrophobicContact CB-CE1 3.85Å; H94-F260 HydrophobicContact CB-CE2 4.11Å; H94-F260 HydrophobicContact CB-CZ 3.33Å; H94-F260 AromaticContact CG-CZ 3.98Å |
| 95 | F | 90.5 | Very high | 86.7 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 108.7 | -178.6 | -168 | -101.9 | 0 | 0 | 0 | 108.9 | W79 F104 L105 W106 M138 T141 V155 | W79-F95 HydrophobicContact CZ2-CG 4.44Å; F95-F104 HydrophobicContact CD1-CD1 4.07Å; F95-F104 HydrophobicContact CE1-CB 4.13Å; F95-F104 AromaticContact CE1-CD1 3.44Å; F95-F104 HydrophobicContact CE1-CD1 3.44Å; F95-F104 VanDerWaalsContact CE1-CD1 3.44Å; F95-F104 HydrophobicContact CE1-CE1 4.02Å; F95-F104 AromaticContact CE1-CG 3.86Å; F95-F104 HydrophobicContact CE1-CG 3.86Å; F95-F104 HydrophobicContact CE2-CB 3.83Å; F95-F104 HydrophobicContact CE2-CG 4.43Å; F95-F104 HydrophobicContact CZ-CB 3.55Å; F95-F104 AromaticContact CZ-CD1 3.77Å; F95-F104 HydrophobicContact CZ-CD1 3.77Å; F95-F104 HydrophobicContact CZ-CD2 4.46Å; F95-F104 AromaticContact CZ-CG 3.67Å; F95-F104 HydrophobicContact CZ-CG 3.67Å; F95-L105 VanDerWaalsContact CA-O 3.28Å; F95-L105 WeakPolarHBondContact CA-O 3.49Å; F95-W106 HydrophobicContact CD2-CB 3.82Å; F95-W106 AromaticContact CD2-CD1 3.91Å; F95-W106 HydrophobicContact CD2-CG 4.07Å; F95-W106 HydrophobicContact CE2-CB 4.2Å; F95-M138 HydrophobicContact CD2-CE 4.24Å; F95-M138 HydrophobicContact CE2-CE 3.99Å; F95-M138 HydrophobicContact CE2-CG 4.07Å; F95-M138 HydrophobicContact CZ-CG 4.17Å; F95-T141 HydrophobicContact CE1-CG2 4.25Å; F95-V155 HydrophobicContact CE2-CG1 3.97Å; F95-V155 HydrophobicContact CE2-CG2 4.09Å; F95-V155 HydrophobicContact CZ-CG2 4.27Å |
| 96 | E | 88.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149 | -169.8 | 172.3 | 172.6 | -159.9 | 0 | 0 | 111.7 | H94 F104 L105 | H94-E96 IonicContact CD2-OE2 3.87Å; H94-E96 IonicContact CE1-OE2 2.69Å; H94-E96 VanDerWaalsContact NE2-CB 3.34Å; H94-E96 WeakPolarHBondContact NE2-CB 3.27Å; H94-E96 IonicContact NE2-OE2 3.85Å; H94-E96 PolarHBondContact NE2-OE2 2.78Å; E96-F104 CarbonylContact O-C 3.49Å; E96-F104 VanDerWaalsContact O-CA 3.22Å; E96-F104 WeakPolarHBondContact O-CA 3.38Å; E96-L105 PolarHBondContact N-O 2.92Å; E96-L105 PolarHBondContact O-N 3.5Å |
| 97 | W | 91.7 | Very high | 87 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.8 | 174.4 | 171.8 | -107.3 | 0 | 0 | 0 | 111.9 | N102 C103 F104 R145 C153 | W97-N102 VanDerWaalsContact CH2-CA 3.46Å; W97-N102 HydrophobicContact CH2-CB 4.25Å; W97-N102 VanDerWaalsContact CH2-OD1 3.23Å; W97-N102 WeakPolarHBondContact CH2-OD1 3.48Å; W97-C103 VanDerWaalsContact CE3-O 3.27Å; W97-F104 HydrophobicContact CB-CD1 4.17Å; W97-F104 HydrophobicContact CB-CE1 3.82Å; W97-F104 HydrophobicContact CB-CZ 4.39Å; W97-F104 HydrophobicContact CD2-CZ 4.39Å; W97-F104 HydrophobicContact CE3-CD1 4.19Å; W97-F104 AromaticContact CE3-CD2 3.7Å; W97-F104 HydrophobicContact CE3-CD2 3.7Å; W97-F104 HydrophobicContact CE3-CE1 4.01Å; W97-F104 AromaticContact CE3-CE2 3.49Å; W97-F104 HydrophobicContact CE3-CE2 3.49Å; W97-F104 VanDerWaalsContact CE3-CE2 3.49Å; W97-F104 HydrophobicContact CE3-CG 4.04Å; W97-F104 AromaticContact CE3-CZ 3.64Å; W97-F104 HydrophobicContact CE3-CZ 3.64Å; W97-F104 AromaticContact CZ3-CD2 3.94Å; W97-F104 HydrophobicContact CZ3-CD2 3.94Å; W97-F104 AromaticContact CZ3-CE2 3.76Å; W97-F104 HydrophobicContact CZ3-CE2 3.76Å; W97-F104 HydrophobicContact CZ3-CZ 4.32Å; W97-R145 HydrophobicContact CH2-CG 4.02Å; W97-R145 HydrophobicContact CZ2-CG 4.47Å; W97-R145 HydrophobicContact CZ3-CG 4.09Å; W97-C153 HydrophobicContact CZ3-CB 4.41Å |
| 98 | L | 90.7 | Very high | 87.2 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 100.5 | 174.2 | -59.9 | -175 | 0 | 0 | 0 | 110.6 | E100 R101 N102 C103 L105 L241 A245 | L98-E100 PolarHBondContact O-N 2.87Å; L98-R101 PolarHBondContact O-N 3.48Å; L98-N102 PolarHBondContact O-N 2.92Å; L98-N102 VanDerWaalsContact O-N 3.07Å; L98-C103 WeakPolarHBondContact CB-O 3.34Å; L98-C103 PolarHBondContact N-O 2.91Å; L98-C103 PolarHBondContact O-N 3.28Å; L98-L105 HydrophobicContact CD1-CB 3.82Å; L98-L105 HydrophobicContact CG-CB 4.02Å; L98-L241 HydrophobicContact CD1-CD2 3.77Å; L98-A245 HydrophobicContact CD1-CB 3.76Å; L98-A245 HydrophobicContact CD2-CB 3.66Å; L98-A245 HydrophobicContact CG-CB 4.39Å |
| 99 | Q | 86.9 | Confident | 87.4 | Confident | 124 Ų | 124 | 41.4 Ų | 41.4 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -58.9 | -42.5 | -176.4 | -174.7 | 69.1 | 19.4 | 0 | 0 | 113 | R101 N102 | Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.86Å; Q99-N102 PolarHBondContact O-N 3.43Å |
| 100 | E | 84.2 | Confident | 87.5 | Confident | 151 Ų | 151 | 43 Ų | 43 | 71% | 0.706 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -65.6 | -29.4 | -176.1 | -62.6 | -174.1 | 169.5 | 0 | 0 | 113.6 | L98 P242 | L98-E100 PolarHBondContact O-N 2.87Å; E100-P242 WeakPolarHBondContact OE2-CB 3.17Å |
| 101 | R | 84.4 | Confident | 87.2 | Confident | 126 Ų | 126 | 43.2 Ų | 43.2 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -103.2 | -3.4 | -178.1 | -67.7 | -65.1 | -63.7 | -142.6 | -7.8 | 113.3 | L98 Q99 C103 E240 | L98-R101 PolarHBondContact O-N 3.48Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.86Å; R101-C103 VanDerWaalsContact CB-SG 3.57Å; R101-C103 PolarHBondContact O-N 2.94Å; R101-E240 WeakPolarHBondContact CD-O 3.33Å; R101-E240 PolarHBondContact NE-O 3.5Å; R101-E240 PolarHBondContact NH1-O 2.71Å |
| 102 | N | 89.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 43.2 | -174.1 | -159.7 | 59.1 | 0 | 0 | 0 | 112.7 | W97 L98 Q99 V151 R152 C153 | W97-N102 VanDerWaalsContact CH2-CA 3.46Å; W97-N102 HydrophobicContact CH2-CB 4.25Å; W97-N102 VanDerWaalsContact CH2-OD1 3.23Å; W97-N102 WeakPolarHBondContact CH2-OD1 3.48Å; L98-N102 PolarHBondContact O-N 2.92Å; L98-N102 VanDerWaalsContact O-N 3.07Å; Q99-N102 PolarHBondContact O-N 3.43Å; N102-V151 WeakPolarHBondContact ND2-CB 3.29Å; N102-V151 WeakPolarHBondContact ND2-CG1 3.44Å; N102-R152 PolarHBondContact ND2-O 2.82Å; N102-C153 PolarHBondContact ND2-SG 2.77Å; N102-C153 WeakPolarHBondContact O-CA 3.18Å |
| 103 | C | 94.4 | Very high | 86 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 163.1 | -177.6 | 72.8 | 0 | 0 | 0 | 0 | 112 | W97 L98 R101 S154 | W97-C103 VanDerWaalsContact CE3-O 3.27Å; L98-C103 WeakPolarHBondContact CB-O 3.34Å; L98-C103 PolarHBondContact N-O 2.91Å; L98-C103 PolarHBondContact O-N 3.28Å; R101-C103 VanDerWaalsContact CB-SG 3.57Å; R101-C103 PolarHBondContact O-N 2.94Å; C103-S154 CarbonylContact C-O 3.49Å; C103-S154 VanDerWaalsContact CA-O 3.31Å; C103-S154 WeakPolarHBondContact CA-O 3.5Å; C103-S154 VanDerWaalsContact CB-O 3.29Å; C103-S154 WeakPolarHBondContact CB-O 3.39Å |
| 104 | F | 95.7 | Very high | 85.4 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.1 | 169.3 | -74.7 | -89.8 | 0 | 0 | 0 | 110.2 | F95 E96 W97 T141 I142 R145 S154 V155 Y156 | F95-F104 HydrophobicContact CD1-CD1 4.07Å; F95-F104 HydrophobicContact CE1-CB 4.13Å; F95-F104 AromaticContact CE1-CD1 3.44Å; F95-F104 HydrophobicContact CE1-CD1 3.44Å; F95-F104 VanDerWaalsContact CE1-CD1 3.44Å; F95-F104 HydrophobicContact CE1-CE1 4.02Å; F95-F104 AromaticContact CE1-CG 3.86Å; F95-F104 HydrophobicContact CE1-CG 3.86Å; F95-F104 HydrophobicContact CE2-CB 3.83Å; F95-F104 HydrophobicContact CE2-CG 4.43Å; F95-F104 HydrophobicContact CZ-CB 3.55Å; F95-F104 AromaticContact CZ-CD1 3.77Å; F95-F104 HydrophobicContact CZ-CD1 3.77Å; F95-F104 HydrophobicContact CZ-CD2 4.46Å; F95-F104 AromaticContact CZ-CG 3.67Å; F95-F104 HydrophobicContact CZ-CG 3.67Å; E96-F104 CarbonylContact O-C 3.49Å; E96-F104 VanDerWaalsContact O-CA 3.22Å; E96-F104 WeakPolarHBondContact O-CA 3.38Å; W97-F104 HydrophobicContact CB-CD1 4.17Å; W97-F104 HydrophobicContact CB-CE1 3.82Å; W97-F104 HydrophobicContact CB-CZ 4.39Å; W97-F104 HydrophobicContact CD2-CZ 4.39Å; W97-F104 HydrophobicContact CE3-CD1 4.19Å; W97-F104 AromaticContact CE3-CD2 3.7Å; W97-F104 HydrophobicContact CE3-CD2 3.7Å; W97-F104 HydrophobicContact CE3-CE1 4.01Å; W97-F104 AromaticContact CE3-CE2 3.49Å; W97-F104 HydrophobicContact CE3-CE2 3.49Å; W97-F104 VanDerWaalsContact CE3-CE2 3.49Å; W97-F104 HydrophobicContact CE3-CG 4.04Å; W97-F104 AromaticContact CE3-CZ 3.64Å; W97-F104 HydrophobicContact CE3-CZ 3.64Å; W97-F104 AromaticContact CZ3-CD2 3.94Å; W97-F104 HydrophobicContact CZ3-CD2 3.94Å; W97-F104 AromaticContact CZ3-CE2 3.76Å; W97-F104 HydrophobicContact CZ3-CE2 3.76Å; W97-F104 HydrophobicContact CZ3-CZ 4.32Å; F104-T141 HydrophobicContact CE1-CG2 3.78Å; F104-T141 HydrophobicContact CE2-CG2 4.11Å; F104-T141 HydrophobicContact CZ-CG2 3.51Å; F104-I142 HydrophobicContact CD2-CD1 4.47Å; F104-I142 HydrophobicContact CD2-CG1 3.82Å; F104-I142 HydrophobicContact CE2-CG1 4.03Å; F104-R145 HydrophobicContact CE2-CB 4.4Å; F104-S154 PolarHBondContact N-O 2.82Å; F104-V155 HydrophobicContact CB-CG2 4.41Å; F104-V155 CarbonylContact O-C 3.54Å; F104-V155 VanDerWaalsContact O-CA 3.31Å; F104-V155 WeakPolarHBondContact O-CA 3.37Å; F104-Y156 PolarHBondContact O-N 3.12Å |
| 105 | L | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.6 | 167.4 | 177.4 | 62.9 | 0 | 0 | 0 | 109.4 | F95 E96 L98 Y156 V158 L241 A245 L257 | F95-L105 VanDerWaalsContact CA-O 3.28Å; F95-L105 WeakPolarHBondContact CA-O 3.49Å; E96-L105 PolarHBondContact N-O 2.92Å; E96-L105 PolarHBondContact O-N 3.5Å; L98-L105 HydrophobicContact CD1-CB 3.82Å; L98-L105 HydrophobicContact CG-CB 4.02Å; L105-Y156 WeakPolarHBondContact CA-O 3.47Å; L105-Y156 HydrophobicContact CD1-CD1 4Å; L105-V158 HydrophobicContact CD1-CG2 4.12Å; L105-L241 HydrophobicContact CD1-CD1 3.84Å; L105-A245 HydrophobicContact CD2-CB 4.18Å; L105-A245 WeakPolarHBondContact CD2-O 3.33Å; L105-L257 HydrophobicContact CD2-CD1 4.49Å |
| 106 | W | 93.2 | Very high | 83.9 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.9 | 167.3 | -175 | 42.8 | 0 | 0 | 0 | 109.9 | R92 H94 F95 V108 K134 M138 V155 Y156 A157 V158 | R92-W106 PolarHBondContact O-NE1 3.03Å; H94-W106 CarbonylContact O-C 3.59Å; H94-W106 WeakPolarHBondContact O-CA 3.46Å; F95-W106 HydrophobicContact CD2-CB 3.82Å; F95-W106 AromaticContact CD2-CD1 3.91Å; F95-W106 HydrophobicContact CD2-CG 4.07Å; F95-W106 HydrophobicContact CE2-CB 4.2Å; W106-V108 HydrophobicContact CD2-CG2 4.42Å; W106-V108 HydrophobicContact CH2-CG2 4.45Å; W106-V108 HydrophobicContact CZ2-CB 4.48Å; W106-V108 HydrophobicContact CZ2-CG2 3.59Å; W106-K134 HydrophobicContact CH2-CD 4.36Å; W106-K134 HydrophobicContact CZ2-CD 4.3Å; W106-M138 HydrophobicContact CB-CE 4.22Å; W106-M138 HydrophobicContact CD2-CE 3.39Å; W106-M138 HydrophobicContact CE3-CE 3.71Å; W106-M138 HydrophobicContact CG-CE 3.62Å; W106-M138 HydrophobicContact CZ2-CE 4.32Å; W106-M138 HydrophobicContact CZ3-CE 4.32Å; W106-V155 HydrophobicContact CB-CG1 3.59Å; W106-Y156 PolarHBondContact N-O 3.02Å; W106-A157 HydrophobicContact CE3-CB 3.85Å; W106-A157 CarbonylContact O-C 3.55Å; W106-A157 WeakPolarHBondContact O-CA 3.47Å; W106-V158 PolarHBondContact O-N 3.36Å |
| 107 | W | 88.6 | Confident | 83 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.7 | -179.9 | -168.3 | -67 | 0 | 0 | 0 | 110.7 | G93 H94 V158 I201 L246 P247 F250 F260 | G93-W107 CarbonylContact C-O 3.57Å; G93-W107 WeakPolarHBondContact CA-O 3.34Å; H94-W107 HydrophobicContact CB-CB 4.42Å; H94-W107 PolarHBondContact N-O 3.33Å; H94-W107 PolarHBondContact O-N 3.49Å; W107-V158 CarbonylContact C-O 3.58Å; W107-V158 WeakPolarHBondContact CA-O 3.42Å; W107-V158 HydrophobicContact CD2-CB 3.92Å; W107-V158 HydrophobicContact CD2-CG1 3.91Å; W107-V158 HydrophobicContact CE3-CB 3.63Å; W107-V158 HydrophobicContact CE3-CG1 3.73Å; W107-V158 HydrophobicContact CE3-CG2 3.88Å; W107-V158 HydrophobicContact CG-CB 4.45Å; W107-V158 HydrophobicContact CH2-CG1 3.72Å; W107-V158 HydrophobicContact CZ2-CG1 3.88Å; W107-V158 HydrophobicContact CZ3-CB 3.98Å; W107-V158 HydrophobicContact CZ3-CG1 3.65Å; W107-V158 HydrophobicContact CZ3-CG2 4Å; W107-I201 HydrophobicContact CH2-CD1 4.03Å; W107-I201 HydrophobicContact CZ2-CD1 3.71Å; W107-L246 HydrophobicContact CH2-CD2 4.44Å; W107-L246 HydrophobicContact CZ3-CD2 4.04Å; W107-P247 HydrophobicContact CH2-CG 3.97Å; W107-P247 HydrophobicContact CZ2-CG 3.93Å; W107-P247 HydrophobicContact CZ3-CG 4.35Å; W107-F250 AromaticContact CH2-CD2 3.72Å; W107-F250 HydrophobicContact CH2-CD2 3.72Å; W107-F250 AromaticContact CH2-CE2 3.9Å; W107-F250 HydrophobicContact CH2-CE2 3.9Å; W107-F250 AromaticContact CZ2-CD2 3.86Å; W107-F250 HydrophobicContact CZ2-CD2 3.86Å; W107-F250 AromaticContact CZ2-CE2 3.55Å; W107-F250 HydrophobicContact CZ2-CE2 3.55Å; W107-F260 AromaticContact CD1-CE2 3.84Å; W107-F260 HydrophobicContact CG-CE2 4.45Å |
| 108 | V | 86.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.6 | -177.4 | 146.4 | 0 | 0 | 0 | 0 | 110.7 | W106 Y110 V158 I159 D160 | W106-V108 HydrophobicContact CD2-CG2 4.42Å; W106-V108 HydrophobicContact CH2-CG2 4.45Å; W106-V108 HydrophobicContact CZ2-CB 4.48Å; W106-V108 HydrophobicContact CZ2-CG2 3.59Å; V108-Y110 HydrophobicContact CG1-CD1 3.28Å; V108-Y110 HydrophobicContact CG1-CD2 4.24Å; V108-Y110 HydrophobicContact CG1-CE1 3.17Å; V108-Y110 HydrophobicContact CG1-CE2 4.14Å; V108-Y110 HydrophobicContact CG1-CG 3.83Å; V108-V158 PolarHBondContact N-O 2.79Å; V108-I159 HydrophobicContact CG1-CG2 4.4Å; V108-I159 CarbonylContact O-C 3.56Å; V108-I159 WeakPolarHBondContact O-CA 3.3Å; V108-D160 PolarHBondContact O-N 2.68Å |
| 109 | D | 81.9 | Confident | 81.6 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.9 | 170.2 | 175.8 | 7.5 | 0 | 0 | 0 | 109.6 | P91 S111 T262 | P91-D109 WeakPolarHBondContact CG-O 3.43Å; D109-S111 VanDerWaalsContact CG-OG 3.29Å; D109-S111 WeakPolarHBondContact OD1-CB 3.48Å; D109-S111 PolarHBondContact OD1-N 2.99Å; D109-S111 PolarHBondContact OD1-OG 3.49Å; D109-S111 PolarHBondContact OD2-OG 3.02Å; D109-T262 HydrophobicContact CB-CG2 4.39Å; D109-T262 VanDerWaalsContact OD2-CG2 3.26Å; D109-T262 WeakPolarHBondContact OD2-CG2 3.34Å; D109-T262 PolarHBondContact OD2-OG1 3.14Å; D109-T262 VanDerWaalsContact OD2-OG1 3.06Å |
| 110 | Y | 81.5 | Confident | 81 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | trans | -109.3 | 2.8 | -176.4 | -95.8 | 5 | 0 | 0 | 0 | 113.1 | P91 V108 T112 L113 I159 D160 L161 W164 | P91-Y110 HydrophobicContact CG-CD1 3.65Å; P91-Y110 HydrophobicContact CG-CE1 3.88Å; V108-Y110 HydrophobicContact CG1-CD1 3.28Å; V108-Y110 HydrophobicContact CG1-CD2 4.24Å; V108-Y110 HydrophobicContact CG1-CE1 3.17Å; V108-Y110 HydrophobicContact CG1-CE2 4.14Å; V108-Y110 HydrophobicContact CG1-CG 3.83Å; Y110-T112 VanDerWaalsContact C-N 3.29Å; Y110-T112 PolarHBondContact O-N 3.27Å; Y110-T112 VanDerWaalsContact O-N 3.13Å; Y110-L113 HydrophobicContact CD1-CD1 3.75Å; Y110-L113 HydrophobicContact CE1-CD1 4.02Å; Y110-L113 HydrophobicContact CG-CD1 4.08Å; Y110-L113 VanDerWaalsContact O-CB 3.28Å; Y110-L113 WeakPolarHBondContact O-CB 3.48Å; Y110-L113 PolarHBondContact O-N 3.49Å; Y110-I159 HydrophobicContact CD2-CG2 3.49Å; Y110-I159 VanDerWaalsContact CD2-CG2 3.49Å; Y110-I159 HydrophobicContact CE2-CG2 3.86Å; Y110-I159 HydrophobicContact CG-CG2 4.16Å; Y110-D160 WeakPolarHBondContact CB-O 3.12Å; Y110-D160 PolarHBondContact N-O 3.47Å; Y110-L161 HydrophobicContact CD2-CD2 4.09Å; Y110-W164 VanDerWaalsContact CB-CZ3 3.41Å; Y110-W164 HydrophobicContact CD2-CH2 4.3Å; Y110-W164 AromaticContact CD2-CZ3 3.98Å; Y110-W164 HydrophobicContact CD2-CZ3 3.98Å; Y110-W164 HydrophobicContact CG-CH2 4.46Å; Y110-W164 AromaticContact CG-CZ3 3.79Å; Y110-W164 HydrophobicContact CG-CZ3 3.79Å; Y110-W164 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 111 | S | 73.8 | Confident | 80.6 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -36.6 | -176.1 | 58.8 | 0 | 0 | 0 | 0 | 115.5 | D109 R162 | D109-S111 VanDerWaalsContact CG-OG 3.29Å; D109-S111 WeakPolarHBondContact OD1-CB 3.48Å; D109-S111 PolarHBondContact OD1-N 2.99Å; D109-S111 PolarHBondContact OD1-OG 3.49Å; D109-S111 PolarHBondContact OD2-OG 3.02Å; S111-R162 WeakPolarHBondContact CA-O 3.39Å; S111-R162 WeakPolarHBondContact CB-O 3.45Å |
| 112 | T | 67 | Low | 80.5 | Confident | 55 Ų | 55 | 24.1 Ų | 24.1 | 34% | 0.337 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 18 | -175.8 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | Y110 N114 T262 | Y110-T112 VanDerWaalsContact C-N 3.29Å; Y110-T112 PolarHBondContact O-N 3.27Å; Y110-T112 VanDerWaalsContact O-N 3.13Å; T112-N114 PolarHBondContact O-N 3.3Å; T112-T262 HydrophobicContact CG2-CG2 3.68Å; T112-T262 WeakPolarHBondContact OG1-CG2 3.29Å |
| 113 | L | 74.5 | Confident | 80.5 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | trans | -80 | 115 | -171.1 | -162.7 | 152.9 | 0 | 0 | 0 | 111.7 | L90 Y110 M115 I118 W164 | L90-L113 HydrophobicContact CD2-CD1 3.21Å; L90-L113 HydrophobicContact CD2-CD2 4.42Å; L90-L113 HydrophobicContact CD2-CG 4.04Å; Y110-L113 HydrophobicContact CD1-CD1 3.75Å; Y110-L113 HydrophobicContact CE1-CD1 4.02Å; Y110-L113 HydrophobicContact CG-CD1 4.08Å; Y110-L113 VanDerWaalsContact O-CB 3.28Å; Y110-L113 WeakPolarHBondContact O-CB 3.48Å; Y110-L113 PolarHBondContact O-N 3.49Å; L113-M115 HydrophobicContact CD2-CB 4.21Å; L113-M115 HydrophobicContact CD2-CG 3.39Å; L113-M115 HydrophobicContact CD2-SD 3.17Å; L113-M115 WeakPolarHBondContact CD2-SD 3.39Å; L113-M115 PolarHBondContact O-N 2.85Å; L113-M115 VanDerWaalsContact O-N 3.09Å; L113-I118 HydrophobicContact CD2-CD1 3.6Å; L113-I118 HydrophobicContact CG-CD1 4.07Å; L113-W164 HydrophobicContact CB-CE3 4.35Å; L113-W164 HydrophobicContact CB-CH2 3.93Å; L113-W164 HydrophobicContact CB-CZ3 3.47Å; L113-W164 VanDerWaalsContact CB-CZ3 3.47Å; L113-W164 HydrophobicContact CD1-CH2 3.78Å; L113-W164 HydrophobicContact CD1-CZ3 3.81Å; L113-W164 HydrophobicContact CD2-CH2 3.69Å; L113-W164 HydrophobicContact CD2-CZ3 4.16Å; L113-W164 HydrophobicContact CG-CH2 4.02Å; L113-W164 HydrophobicContact CG-CZ3 4.03Å | ||
| 114 | N | 71.8 | Confident | 80.2 | Confident | 51 Ų | 51 | 25.3 Ų | 25.3 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | trans | -85.5 | 77.9 | 176.9 | -169.6 | -12.3 | 0 | 0 | 0 | 111.2 | T112 S116 A117 I118 | T112-N114 PolarHBondContact O-N 3.3Å; N114-S116 PolarHBondContact O-N 3.23Å; N114-S116 PolarHBondContact OD1-N 3Å; N114-A117 HydrophobicContact CB-CB 4.09Å; N114-A117 PolarHBondContact O-N 3.23Å; N114-A117 VanDerWaalsContact O-N 3.1Å; N114-A117 PolarHBondContact OD1-N 2.94Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; N114-I118 PolarHBondContact O-N 3.13Å; N114-I118 VanDerWaalsContact O-N 3.15Å | ||
| 115 | M | 73.4 | Confident | 80 | Confident | 37 Ų | 37 | 24.5 Ų | 24.5 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.2 | -39 | 179.7 | -78.3 | -61.1 | -68.7 | 0 | 0 | 112.4 | L113 A117 I118 I119 W164 N167 F173 | L113-M115 HydrophobicContact CD2-CB 4.21Å; L113-M115 HydrophobicContact CD2-CG 3.39Å; L113-M115 HydrophobicContact CD2-SD 3.17Å; L113-M115 WeakPolarHBondContact CD2-SD 3.39Å; L113-M115 PolarHBondContact O-N 2.85Å; L113-M115 VanDerWaalsContact O-N 3.09Å; M115-A117 PolarHBondContact O-N 2.67Å; M115-I118 PolarHBondContact O-N 2.87Å; M115-I119 HydrophobicContact CB-CD1 4.38Å; M115-I119 HydrophobicContact CE-CD1 4.19Å; M115-I119 VanDerWaalsContact O-CD1 3.24Å; M115-I119 WeakPolarHBondContact O-CD1 3.43Å; M115-I119 WeakPolarHBondContact O-CG1 3.18Å; M115-I119 PolarHBondContact O-N 2.92Å; M115-W164 HydrophobicContact CG-CH2 4.14Å; M115-W164 HydrophobicContact CG-CZ2 3.82Å; M115-W164 HydrophobicContact SD-CH2 4.18Å; M115-W164 HydrophobicContact SD-CZ2 4.16Å; M115-N167 VanDerWaalsContact CB-ND2 3.27Å; M115-N167 WeakPolarHBondContact CB-ND2 3.45Å; M115-F173 HydrophobicContact CE-CE2 4.39Å |
| 116 | S | 69.6 | Low | 79.9 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 19% | 0.189 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | -179.3 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | N114 R120 N167 | N114-S116 PolarHBondContact O-N 3.23Å; N114-S116 PolarHBondContact OD1-N 3Å; S116-R120 WeakPolarHBondContact O-CB 3.46Å; S116-R120 VanDerWaalsContact O-CG 3.3Å; S116-R120 WeakPolarHBondContact O-CG 3.42Å; S116-R120 PolarHBondContact O-N 3.4Å; S116-N167 PolarHBondContact OG-ND2 2.96Å |
| 117 | A | 71.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N114 M115 R120 S121 F267 M269 | N114-A117 HydrophobicContact CB-CB 4.09Å; N114-A117 PolarHBondContact O-N 3.23Å; N114-A117 VanDerWaalsContact O-N 3.1Å; N114-A117 PolarHBondContact OD1-N 2.94Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; M115-A117 PolarHBondContact O-N 2.67Å; A117-R120 PolarHBondContact O-N 3.28Å; A117-S121 VanDerWaalsContact O-CB 3.27Å; A117-S121 WeakPolarHBondContact O-CB 2.86Å; A117-S121 PolarHBondContact O-N 3.14Å; A117-S121 PolarHBondContact O-OG 3.02Å; A117-F267 HydrophobicContact CB-CB 4.08Å; A117-F267 WeakPolarHBondContact CB-O 3.34Å; A117-M269 HydrophobicContact CB-SD 4.49Å |
| 118 | I | 76.5 | Confident | 80 | Confident | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.1 | -51.7 | 179.4 | -63.4 | 167.6 | 0 | 0 | 0 | 110.8 | L89 L90 L113 N114 M115 R120 S121 Q122 M127 | L89-I118 VanDerWaalsContact O-CD1 3.32Å; L89-I118 WeakPolarHBondContact O-CD1 3.36Å; L90-I118 HydrophobicContact CD2-CD1 4.09Å; L113-I118 HydrophobicContact CD2-CD1 3.6Å; L113-I118 HydrophobicContact CG-CD1 4.07Å; N114-I118 PolarHBondContact O-N 3.13Å; N114-I118 VanDerWaalsContact O-N 3.15Å; M115-I118 PolarHBondContact O-N 2.87Å; I118-R120 PolarHBondContact O-N 3.02Å; I118-S121 PolarHBondContact O-N 2.94Å; I118-S121 VanDerWaalsContact O-N 3.15Å; I118-S121 PolarHBondContact O-OG 2.94Å; I118-Q122 HydrophobicContact CG2-CB 4.35Å; I118-Q122 HydrophobicContact CG2-CG 4.07Å; I118-Q122 WeakPolarHBondContact O-CB 3.24Å; I118-Q122 PolarHBondContact O-N 3.48Å; I118-M127 HydrophobicContact CG2-CE 4.11Å; I118-M127 HydrophobicContact CG2-SD 4.25Å |
| 119 | I | 75.9 | Confident | 80.3 | Confident | 24 Ų | 24 | 28 Ų | 28 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -31.2 | -177.6 | -65.3 | 157.1 | 0 | 0 | 0 | 112.4 | M115 L169 F173 H364 | M115-I119 HydrophobicContact CB-CD1 4.38Å; M115-I119 HydrophobicContact CE-CD1 4.19Å; M115-I119 VanDerWaalsContact O-CD1 3.24Å; M115-I119 WeakPolarHBondContact O-CD1 3.43Å; M115-I119 WeakPolarHBondContact O-CG1 3.18Å; M115-I119 PolarHBondContact O-N 2.92Å; I119-L169 HydrophobicContact CB-CD1 4.47Å; I119-L169 HydrophobicContact CD1-CB 3.68Å; I119-L169 HydrophobicContact CD1-CD1 3.4Å; I119-L169 VanDerWaalsContact CD1-CD1 3.4Å; I119-L169 HydrophobicContact CD1-CG 4.11Å; I119-F173 HydrophobicContact CD1-CE2 3.56Å; I119-F173 HydrophobicContact CD1-CZ 4.15Å; I119-F173 HydrophobicContact CG1-CE2 3.97Å; I119-F173 HydrophobicContact CG1-CZ 4.05Å; I119-H364 HydrophobicContact CG2-CB 4.24Å; I119-H364 VanDerWaalsContact CG2-CD2 3.46Å; I119-H364 WeakPolarHBondContact CG2-CD2 3.22Å; I119-H364 WeakPolarHBondContact O-CB 3.49Å |
| 120 | R | 74.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 28.5 Ų | 28.5 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -89 | -15.7 | -179.3 | -68.6 | 180 | -177.3 | -170.6 | 2.7 | 113.8 | S116 A117 I118 P270 T275 V365 | S116-R120 WeakPolarHBondContact O-CB 3.46Å; S116-R120 VanDerWaalsContact O-CG 3.3Å; S116-R120 WeakPolarHBondContact O-CG 3.42Å; S116-R120 PolarHBondContact O-N 3.4Å; A117-R120 PolarHBondContact O-N 3.28Å; I118-R120 PolarHBondContact O-N 3.02Å; R120-P270 HydrophobicContact CB-CG 4.1Å; R120-T275 WeakPolarHBondContact O-CG2 3.3Å; R120-V365 VanDerWaalsContact C-CG2 3.44Å; R120-V365 VanDerWaalsContact O-CG2 3.26Å; R120-V365 WeakPolarHBondContact O-CG2 3.4Å |
| 121 | S | 74.7 | Confident | 81.6 | Confident | 36 Ų | 36 | 28.5 Ų | 28.5 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -111.9 | -27.3 | -175.7 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | A117 I118 | A117-S121 VanDerWaalsContact O-CB 3.27Å; A117-S121 WeakPolarHBondContact O-CB 2.86Å; A117-S121 PolarHBondContact O-N 3.14Å; A117-S121 PolarHBondContact O-OG 3.02Å; I118-S121 PolarHBondContact O-N 2.94Å; I118-S121 VanDerWaalsContact O-N 3.15Å; I118-S121 PolarHBondContact O-OG 2.94Å |
| 122 | Q | 83.2 | Confident | 82.6 | Confident | 27 Ų | 27 | 27.4 Ų | 27.4 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -105.7 | 139.2 | -173.5 | -56.4 | -54.4 | -50.7 | 0 | 0 | 111.8 | L89 I118 M127 V365 | L89-Q122 VanDerWaalsContact CD1-CD 3.48Å; L89-Q122 HydrophobicContact CD1-CG 3.8Å; L89-Q122 HydrophobicContact CD2-CG 3.93Å; L89-Q122 HydrophobicContact CG-CG 4.5Å; I118-Q122 HydrophobicContact CG2-CB 4.35Å; I118-Q122 HydrophobicContact CG2-CG 4.07Å; I118-Q122 WeakPolarHBondContact O-CB 3.24Å; I118-Q122 PolarHBondContact O-N 3.48Å; Q122-M127 HydrophobicContact CB-CG 3.81Å; Q122-M127 HydrophobicContact CB-SD 4.04Å; Q122-M127 HydrophobicContact CG-SD 4.13Å; Q122-V365 WeakPolarHBondContact O-CG2 3.44Å |
| 123 | K | 88.4 | Confident | 84 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 14% | 0.143 | 14% | 0.137 | C | C | . | . | trans | -67.6 | 138.9 | 169 | -68.3 | -174.2 | -68.9 | 132.2 | 0 | 109.6 | T125 D126 M127 V365 T368 | K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.06Å; K123-D126 HydrophobicContact CB-CB 4.2Å; K123-D126 VanDerWaalsContact CE-CG 3.49Å; K123-D126 WeakPolarHBondContact CE-OD2 2.98Å; K123-D126 VanDerWaalsContact NZ-CG 3.25Å; K123-D126 IonicContact NZ-OD1 2.65Å; K123-D126 PolarHBondContact NZ-OD1 3.45Å; K123-D126 IonicContact NZ-OD2 3.65Å; K123-D126 PolarHBondContact NZ-OD2 2.9Å; K123-D126 VanDerWaalsContact NZ-OD2 3.08Å; K123-D126 PolarHBondContact O-N 3.14Å; K123-M127 PolarHBondContact O-N 3.1Å; K123-V365 HydrophobicContact CG-CG1 3.72Å; K123-T368 WeakPolarHBondContact CD-OG1 3.3Å; K123-T368 PolarHBondContact NZ-O 3.23Å | ||
| 124 | S | 88.2 | Confident | 84.9 | Confident | 32 Ų | 32 | 27.2 Ų | 27.2 | 22% | 0.224 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | L128 A361 | S124-L128 WeakPolarHBondContact O-CG 3.38Å; S124-L128 PolarHBondContact O-N 3Å; S124-A361 PolarHBondContact OG-O 3.42Å |
| 125 | T | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 176.6 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | K123 M127 L128 I129 F360 E367 | K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.06Å; T125-M127 VanDerWaalsContact C-N 3.3Å; T125-M127 PolarHBondContact O-N 3.34Å; T125-L128 WeakPolarHBondContact O-CB 3.39Å; T125-L128 PolarHBondContact O-N 3.36Å; T125-I129 WeakPolarHBondContact O-CG1 3.1Å; T125-I129 PolarHBondContact O-N 3.11Å; T125-F360 HydrophobicContact CG2-CD1 3.81Å; T125-F360 HydrophobicContact CG2-CD2 4.13Å; T125-F360 HydrophobicContact CG2-CE1 3.29Å; T125-F360 HydrophobicContact CG2-CE2 3.64Å; T125-F360 HydrophobicContact CG2-CG 4.21Å; T125-F360 HydrophobicContact CG2-CZ 3.19Å; T125-E367 WeakPolarHBondContact CB-OE1 3.48Å; T125-E367 HydrophobicContact CG2-CG 4.4Å; T125-E367 WeakPolarHBondContact CG2-OE1 3.17Å; T125-E367 WeakPolarHBondContact CG2-OE2 3.36Å; T125-E367 PolarHBondContact OG1-OE1 3.39Å; T125-E367 PolarHBondContact OG1-OE2 2.96Å |
| 126 | D | 91.1 | Very high | 87.2 | Confident | 35 Ų | 35 | 23.9 Ų | 23.9 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 178.8 | -73.8 | 3.3 | 0 | 0 | 0 | 110.4 | K123 L128 I129 Y130 | K123-D126 HydrophobicContact CB-CB 4.2Å; K123-D126 VanDerWaalsContact CE-CG 3.49Å; K123-D126 WeakPolarHBondContact CE-OD2 2.98Å; K123-D126 VanDerWaalsContact NZ-CG 3.25Å; K123-D126 IonicContact NZ-OD1 2.65Å; K123-D126 PolarHBondContact NZ-OD1 3.45Å; K123-D126 IonicContact NZ-OD2 3.65Å; K123-D126 PolarHBondContact NZ-OD2 2.9Å; K123-D126 VanDerWaalsContact NZ-OD2 3.08Å; K123-D126 PolarHBondContact O-N 3.14Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.88Å; D126-I129 PolarHBondContact O-N 2.94Å; D126-Y130 HydrophobicContact CB-CE1 4.32Å; D126-Y130 HydrophobicContact CB-CE2 3.93Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 VanDerWaalsContact O-CD1 3.28Å; D126-Y130 WeakPolarHBondContact O-CD1 2.94Å; D126-Y130 VanDerWaalsContact O-CD2 3.3Å; D126-Y130 WeakPolarHBondContact O-CD2 3.1Å; D126-Y130 PolarHBondContact O-N 3.46Å |
| 127 | M | 89.7 | Confident | 88.4 | Confident | 29 Ų | 29 | 24 Ų | 24 | 14% | 0.143 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 176 | -72.4 | -58.9 | -62.1 | 0 | 0 | 112.8 | V84 L89 L90 I118 Q122 K123 T125 Y130 H131 | V84-M127 HydrophobicContact CG2-CE 4Å; V84-M127 HydrophobicContact CG2-SD 4.46Å; L89-M127 HydrophobicContact CD1-SD 4.17Å; L90-M127 HydrophobicContact CD1-CE 4.15Å; L90-M127 HydrophobicContact CG-CE 4.42Å; I118-M127 HydrophobicContact CG2-CE 4.11Å; I118-M127 HydrophobicContact CG2-SD 4.25Å; Q122-M127 HydrophobicContact CB-CG 3.81Å; Q122-M127 HydrophobicContact CB-SD 4.04Å; Q122-M127 HydrophobicContact CG-SD 4.13Å; K123-M127 PolarHBondContact O-N 3.1Å; T125-M127 VanDerWaalsContact C-N 3.3Å; T125-M127 PolarHBondContact O-N 3.34Å; M127-Y130 HydrophobicContact SD-CD2 4.39Å; M127-H131 PolarHBondContact O-N 2.71Å; M127-H131 PolarHBondContact O-ND1 3.27Å |
| 128 | L | 93.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.3 | -45.2 | 175.3 | -69.8 | 169.8 | 0 | 0 | 0 | 111.5 | S124 T125 D126 Y130 H131 F132 Y182 L185 F186 L358 F360 | S124-L128 WeakPolarHBondContact O-CG 3.38Å; S124-L128 PolarHBondContact O-N 3Å; T125-L128 WeakPolarHBondContact O-CB 3.39Å; T125-L128 PolarHBondContact O-N 3.36Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.88Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; L128-Y130 PolarHBondContact O-N 3.36Å; L128-H131 WeakPolarHBondContact O-CB 3.42Å; L128-H131 PolarHBondContact O-N 3.23Å; L128-H131 VanDerWaalsContact O-N 3.12Å; L128-F132 VanDerWaalsContact O-CD2 3.31Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 PolarHBondContact O-N 3.06Å; L128-Y182 HydrophobicContact CD1-CE1 4.3Å; L128-Y182 HydrophobicContact CD2-CD1 3.72Å; L128-Y182 HydrophobicContact CD2-CE1 3.66Å; L128-Y182 HydrophobicContact CD2-CG 4.43Å; L128-Y182 HydrophobicContact CG-CE1 4.43Å; L128-L185 HydrophobicContact CD2-CD2 4.15Å; L128-F186 HydrophobicContact CD2-CE2 3.82Å; L128-F186 HydrophobicContact CD2-CZ 3.87Å; L128-L358 HydrophobicContact CB-CD1 4.16Å; L128-L358 HydrophobicContact CD1-CB 4.17Å; L128-L358 HydrophobicContact CD1-CD1 4.14Å; L128-L358 HydrophobicContact CD1-CD2 4.26Å; L128-L358 HydrophobicContact CD1-CG 4.44Å; L128-F360 HydrophobicContact CD1-CB 4.46Å |
| 129 | I | 94.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.097 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 178.7 | -67.3 | 171.2 | 0 | 0 | 0 | 110.8 | L69 T125 D126 H131 F132 W133 | L69-I129 HydrophobicContact CD2-CD1 4.32Å; L69-I129 HydrophobicContact CD2-CG1 3.95Å; L69-I129 HydrophobicContact CD2-CG2 4.2Å; T125-I129 WeakPolarHBondContact O-CG1 3.1Å; T125-I129 PolarHBondContact O-N 3.11Å; D126-I129 PolarHBondContact O-N 2.94Å; I129-H131 PolarHBondContact O-N 3.41Å; I129-F132 WeakPolarHBondContact O-CA 3.3Å; I129-F132 WeakPolarHBondContact O-CB 3.39Å; I129-F132 PolarHBondContact O-N 3.44Å; I129-W133 HydrophobicContact CG2-CD2 4.22Å; I129-W133 HydrophobicContact CG2-CH2 4.21Å; I129-W133 HydrophobicContact CG2-CZ2 3.73Å; I129-W133 PolarHBondContact O-N 3.13Å |
| 130 | Y | 94.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 11% | 0.114 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -32.4 | 176.8 | -59.9 | -16.3 | 0 | 0 | 0 | 112.3 | N82 P83 V84 D126 M127 L128 W133 K134 | N82-Y130 PolarHBondContact ND2-O 2.88Å; N82-Y130 WeakPolarHBondContact OD1-CB 3.26Å; P83-Y130 HydrophobicContact CB-CD2 4.26Å; P83-Y130 HydrophobicContact CB-CE1 4.07Å; P83-Y130 HydrophobicContact CB-CE2 3.68Å; P83-Y130 HydrophobicContact CG-CD1 4.32Å; P83-Y130 HydrophobicContact CG-CE1 3.72Å; P83-Y130 HydrophobicContact CG-CE2 4.27Å; V84-Y130 HydrophobicContact CB-CD2 3.98Å; V84-Y130 HydrophobicContact CB-CG 4.29Å; D126-Y130 HydrophobicContact CB-CE1 4.32Å; D126-Y130 HydrophobicContact CB-CE2 3.93Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 VanDerWaalsContact O-CD1 3.28Å; D126-Y130 WeakPolarHBondContact O-CD1 2.94Å; D126-Y130 VanDerWaalsContact O-CD2 3.3Å; D126-Y130 WeakPolarHBondContact O-CD2 3.1Å; D126-Y130 PolarHBondContact O-N 3.46Å; M127-Y130 HydrophobicContact SD-CD2 4.39Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; L128-Y130 PolarHBondContact O-N 3.36Å; Y130-W133 AromaticContact CD1-CE3 3.66Å; Y130-W133 HydrophobicContact CD1-CE3 3.66Å; Y130-W133 HydrophobicContact CD1-CH2 4.27Å; Y130-W133 AromaticContact CD1-CZ3 3.45Å; Y130-W133 HydrophobicContact CD1-CZ3 3.45Å; Y130-W133 VanDerWaalsContact CD1-CZ3 3.45Å; Y130-W133 HydrophobicContact CE1-CE3 4.31Å; Y130-W133 HydrophobicContact CE1-CH2 4.19Å; Y130-W133 AromaticContact CE1-CZ3 3.62Å; Y130-W133 HydrophobicContact CE1-CZ3 3.62Å; Y130-W133 PolarHBondContact O-N 2.89Å; Y130-K134 PolarHBondContact O-N 3.37Å |
| 131 | H | 94.8 | Very high | 92.3 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.7 | -37.5 | 171.7 | -81.6 | 78.3 | 0 | 0 | 0 | 112.5 | M127 L128 I129 W133 K134 Y135 F186 | M127-H131 PolarHBondContact O-N 2.71Å; M127-H131 PolarHBondContact O-ND1 3.27Å; L128-H131 WeakPolarHBondContact O-CB 3.42Å; L128-H131 PolarHBondContact O-N 3.23Å; L128-H131 VanDerWaalsContact O-N 3.12Å; I129-H131 PolarHBondContact O-N 3.41Å; H131-W133 VanDerWaalsContact C-N 3.33Å; H131-W133 PolarHBondContact O-N 3.36Å; H131-K134 PolarHBondContact CD2-NZ 3.47Å; H131-K134 VanDerWaalsContact CD2-NZ 3.26Å; H131-K134 WeakPolarHBondContact O-CB 3.44Å; H131-K134 PolarHBondContact O-N 3.15Å; H131-Y135 WeakPolarHBondContact O-CD2 3.46Å; H131-Y135 PolarHBondContact O-N 3.43Å; H131-F186 HydrophobicContact CB-CD1 4.45Å; H131-F186 HydrophobicContact CB-CE1 3.65Å; H131-F186 HydrophobicContact CB-CE2 3.89Å; H131-F186 HydrophobicContact CB-CZ 3.33Å |
| 132 | F | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 170.5 | -85.1 | -83.5 | 0 | 0 | 0 | 111.3 | F65 L69 L71 L128 I129 K134 Y135 E136 L185 F186 H190 Y191 L358 | F65-F132 AromaticContact CD1-CE1 4Å; F65-F132 HydrophobicContact CD1-CE1 4Å; F65-F132 HydrophobicContact CD1-CE2 4.28Å; F65-F132 AromaticContact CD1-CZ 3.58Å; F65-F132 HydrophobicContact CD1-CZ 3.58Å; F65-F132 HydrophobicContact CE1-CE2 4.43Å; F65-F132 AromaticContact CE1-CZ 3.93Å; F65-F132 HydrophobicContact CE1-CZ 3.93Å; L69-F132 HydrophobicContact CD1-CB 3.85Å; L69-F132 HydrophobicContact CD1-CD1 3.88Å; L69-F132 HydrophobicContact CD1-CD2 3.87Å; L69-F132 HydrophobicContact CD1-CE1 4.39Å; L69-F132 HydrophobicContact CD1-CE2 4.41Å; L69-F132 HydrophobicContact CD1-CG 3.6Å; L71-F132 HydrophobicContact CD1-CD1 4.42Å; L128-F132 VanDerWaalsContact O-CD2 3.31Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 PolarHBondContact O-N 3.06Å; I129-F132 WeakPolarHBondContact O-CA 3.3Å; I129-F132 WeakPolarHBondContact O-CB 3.39Å; I129-F132 PolarHBondContact O-N 3.44Å; F132-K134 PolarHBondContact O-N 2.85Å; F132-Y135 PolarHBondContact O-N 2.78Å; F132-E136 VanDerWaalsContact O-CB 3.3Å; F132-E136 WeakPolarHBondContact O-CB 3.38Å; F132-E136 PolarHBondContact O-N 3.33Å; F132-L185 HydrophobicContact CE2-CD2 4.23Å; F132-L185 HydrophobicContact CZ-CD1 4.44Å; F132-L185 HydrophobicContact CZ-CD2 4.42Å; F132-L185 HydrophobicContact CZ-CG 4.35Å; F132-F186 HydrophobicContact CD1-CE1 4.44Å; F132-F186 AromaticContact CD2-CE1 3.66Å; F132-F186 HydrophobicContact CD2-CE1 3.66Å; F132-F186 HydrophobicContact CD2-CZ 4.21Å; F132-F186 AromaticContact CE2-CE1 3.71Å; F132-F186 HydrophobicContact CE2-CE1 3.71Å; F132-F186 HydrophobicContact CE2-CZ 4.18Å; F132-F186 HydrophobicContact CG-CE1 4.02Å; F132-F186 HydrophobicContact CZ-CE1 4.16Å; F132-H190 HydrophobicContact CE1-CB 3.96Å; F132-H190 AromaticContact CE1-CD2 3.53Å; F132-H190 AromaticContact CE1-CG 3.66Å; F132-H190 AromaticContact CZ-CD2 3.39Å; F132-H190 WeakPolarHBondContact CZ-CD2 3.39Å; F132-H190 AromaticContact CZ-NE2 3.72Å; F132-Y191 AromaticContact CD1-CE2 3.79Å; F132-Y191 HydrophobicContact CD1-CE2 3.79Å; F132-Y191 HydrophobicContact CE1-CE2 4.22Å; F132-Y191 PolarHBondContact O-OH 3.03Å; F132-L358 HydrophobicContact CE2-CD2 4.12Å |
| 133 | W | 95.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 21.1 Ų | 21.1 | 22% | 0.22 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.7 | -64.8 | -22.5 | 0 | 0 | 0 | 112.9 | P77 P83 I129 Y130 H131 Y135 E136 L137 | P77-W133 HydrophobicContact CB-CE3 4.42Å; P77-W133 HydrophobicContact CG-CD2 3.9Å; P77-W133 HydrophobicContact CG-CE3 3.78Å; P77-W133 HydrophobicContact CG-CG 4.42Å; P77-W133 HydrophobicContact CG-CH2 4.41Å; P77-W133 HydrophobicContact CG-CZ3 4.04Å; P83-W133 HydrophobicContact CG-CZ3 4.45Å; I129-W133 HydrophobicContact CG2-CD2 4.22Å; I129-W133 HydrophobicContact CG2-CH2 4.21Å; I129-W133 HydrophobicContact CG2-CZ2 3.73Å; I129-W133 PolarHBondContact O-N 3.13Å; Y130-W133 AromaticContact CD1-CE3 3.66Å; Y130-W133 HydrophobicContact CD1-CE3 3.66Å; Y130-W133 HydrophobicContact CD1-CH2 4.27Å; Y130-W133 AromaticContact CD1-CZ3 3.45Å; Y130-W133 HydrophobicContact CD1-CZ3 3.45Å; Y130-W133 VanDerWaalsContact CD1-CZ3 3.45Å; Y130-W133 HydrophobicContact CE1-CE3 4.31Å; Y130-W133 HydrophobicContact CE1-CH2 4.19Å; Y130-W133 AromaticContact CE1-CZ3 3.62Å; Y130-W133 HydrophobicContact CE1-CZ3 3.62Å; Y130-W133 PolarHBondContact O-N 2.89Å; H131-W133 VanDerWaalsContact C-N 3.33Å; H131-W133 PolarHBondContact O-N 3.36Å; W133-Y135 PolarHBondContact O-N 2.69Å; W133-E136 PolarHBondContact O-N 2.88Å; W133-L137 WeakPolarHBondContact O-CB 3.29Å; W133-L137 PolarHBondContact O-N 3.17Å |
| 134 | K | 94.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.3 | -52.7 | 174 | 174.8 | -171.9 | 81.6 | 176.3 | 0 | 111.5 | W79 Y85 W106 Y130 H131 F132 L137 M138 | W79-K134 HydrophobicContact CH2-CG 3.8Å; W79-K134 HydrophobicContact CZ3-CD 4.42Å; W79-K134 HydrophobicContact CZ3-CG 3.71Å; Y85-K134 WeakPolarHBondContact OH-CD 3.44Å; Y85-K134 VanDerWaalsContact OH-CG 3.24Å; Y85-K134 WeakPolarHBondContact OH-CG 3.29Å; W106-K134 HydrophobicContact CH2-CD 4.36Å; W106-K134 HydrophobicContact CZ2-CD 4.3Å; Y130-K134 PolarHBondContact O-N 3.37Å; H131-K134 PolarHBondContact CD2-NZ 3.47Å; H131-K134 VanDerWaalsContact CD2-NZ 3.26Å; H131-K134 WeakPolarHBondContact O-CB 3.44Å; H131-K134 PolarHBondContact O-N 3.15Å; F132-K134 PolarHBondContact O-N 2.85Å; K134-L137 PolarHBondContact O-N 3.46Å; K134-M138 WeakPolarHBondContact O-CG 3.24Å; K134-M138 PolarHBondContact O-N 2.96Å; K134-M138 VanDerWaalsContact O-N 3.11Å |
| 135 | Y | 96.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.2 | -33.3 | -177.1 | -71.1 | -57.5 | 0 | 0 | 0 | 112.4 | H131 F132 W133 L137 M138 L139 F186 H187 Y191 L194 V195 | H131-Y135 WeakPolarHBondContact O-CD2 3.46Å; H131-Y135 PolarHBondContact O-N 3.43Å; F132-Y135 PolarHBondContact O-N 2.78Å; W133-Y135 PolarHBondContact O-N 2.69Å; Y135-L137 VanDerWaalsContact C-N 3.33Å; Y135-L137 PolarHBondContact O-N 2.9Å; Y135-M138 HydrophobicContact CD1-SD 3.93Å; Y135-M138 HydrophobicContact CE1-SD 4.29Å; Y135-M138 PolarHBondContact O-N 2.79Å; Y135-L139 WeakPolarHBondContact O-CB 3.36Å; Y135-L139 PolarHBondContact O-N 2.84Å; Y135-F186 HydrophobicContact CD2-CB 4.12Å; Y135-F186 AromaticContact CD2-CD1 3.57Å; Y135-F186 HydrophobicContact CD2-CD1 3.57Å; Y135-F186 HydrophobicContact CD2-CE1 4.24Å; Y135-F186 AromaticContact CD2-CG 3.98Å; Y135-F186 HydrophobicContact CD2-CG 3.98Å; Y135-F186 HydrophobicContact CE2-CB 3.62Å; Y135-F186 AromaticContact CE2-CD1 3.66Å; Y135-F186 HydrophobicContact CE2-CD1 3.66Å; Y135-F186 HydrophobicContact CE2-CD2 4.25Å; Y135-F186 HydrophobicContact CE2-CE1 4.41Å; Y135-F186 AromaticContact CE2-CG 3.57Å; Y135-F186 HydrophobicContact CE2-CG 3.57Å; Y135-H187 AromaticContact CE1-CE1 4Å; Y135-H187 AromaticContact CZ-CE1 3.69Å; Y135-H187 AromaticContact CZ-NE2 3.9Å; Y135-H187 PolarHBondContact OH-CE1 2.82Å; Y135-H187 PolarHBondContact OH-NE2 3.4Å; Y135-H187 VanDerWaalsContact OH-NE2 3.13Å; Y135-Y191 VanDerWaalsContact CB-CD2 3.46Å; Y135-Y191 VanDerWaalsContact CB-CE2 3.41Å; Y135-Y191 HydrophobicContact CD2-CD2 4.1Å; Y135-Y191 HydrophobicContact CD2-CE2 4.31Å; Y135-Y191 AromaticContact CG-CD2 3.96Å; Y135-Y191 HydrophobicContact CG-CD2 3.96Å; Y135-Y191 HydrophobicContact CG-CE2 4.24Å; Y135-Y191 HydrophobicContact CG-CG 4.34Å; Y135-L194 HydrophobicContact CD1-CD2 4.25Å; Y135-L194 WeakPolarHBondContact O-CD2 3.44Å; Y135-V195 HydrophobicContact CD1-CG2 4.1Å; Y135-V195 HydrophobicContact CE1-CG2 3.77Å |
| 136 | E | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 172.5 | 179.5 | 59.6 | -168.2 | 0 | 0 | 111.2 | R66 L71 V76 F132 W133 L139 R140 Y191 | R66-E136 IonicContact CZ-OE1 3.6Å; R66-E136 IonicContact CZ-OE2 3.6Å; R66-E136 IonicContact NH1-OE1 3.06Å; R66-E136 IonicContact NH1-OE2 2.69Å; R66-E136 PolarHBondContact NH1-OE2 2.93Å; R66-E136 IonicContact NH2-OE1 3.98Å; R66-E136 PolarHBondContact NH2-OE1 3.12Å; R66-E136 IonicContact NH2-OE2 2.72Å; L71-E136 HydrophobicContact CB-CG 4.31Å; L71-E136 HydrophobicContact CD2-CB 4.46Å; L71-E136 HydrophobicContact CD2-CG 4.35Å; V76-E136 HydrophobicContact CG1-CB 4.43Å; V76-E136 HydrophobicContact CG1-CG 4.08Å; V76-E136 HydrophobicContact CG2-CG 4.11Å; F132-E136 VanDerWaalsContact O-CB 3.3Å; F132-E136 WeakPolarHBondContact O-CB 3.38Å; F132-E136 PolarHBondContact O-N 3.33Å; W133-E136 PolarHBondContact O-N 2.88Å; E136-L139 PolarHBondContact O-N 2.74Å; E136-R140 WeakPolarHBondContact O-CG 3.3Å; E136-R140 PolarHBondContact O-N 3.2Å; E136-R140 IonicContact OE1-CZ 3.38Å; E136-R140 IonicContact OE1-NE 3.74Å; E136-R140 PolarHBondContact OE1-NE 2.93Å; E136-R140 IonicContact OE1-NH2 2.8Å; E136-Y191 PolarHBondContact N-OH 3.06Å |
| 137 | L | 94.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 15% | 0.152 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.6 | -175.2 | 59.4 | 0 | 0 | 0 | 111.8 | W79 W133 K134 Y135 L139 R140 T141 | W79-L137 HydrophobicContact CB-CD2 4.27Å; W79-L137 HydrophobicContact CD2-CD2 3.75Å; W79-L137 HydrophobicContact CG-CD2 3.53Å; W79-L137 HydrophobicContact CZ2-CD2 4.39Å; W79-L137 VanDerWaalsContact N-CD2 3.31Å; W79-L137 VanDerWaalsContact NE1-CD2 3.35Å; W133-L137 WeakPolarHBondContact O-CB 3.29Å; W133-L137 PolarHBondContact O-N 3.17Å; K134-L137 PolarHBondContact O-N 3.46Å; Y135-L137 VanDerWaalsContact C-N 3.33Å; Y135-L137 PolarHBondContact O-N 2.9Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.87Å; L137-R140 PolarHBondContact O-N 3.49Å; L137-T141 PolarHBondContact O-N 3.13Å; L137-T141 PolarHBondContact O-OG1 3.04Å; L137-T141 VanDerWaalsContact O-OG1 3.07Å |
| 138 | M | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 173.1 | -71.5 | 178.8 | 163.6 | 0 | 0 | 111.9 | W79 F95 W106 K134 Y135 T141 I142 V155 L194 V195 | W79-M138 HydrophobicContact CH2-CE 3.61Å; W79-M138 HydrophobicContact CH2-CG 3.9Å; W79-M138 HydrophobicContact CH2-SD 4.44Å; W79-M138 HydrophobicContact CZ2-CE 4.25Å; W79-M138 HydrophobicContact CZ2-CG 3.82Å; F95-M138 HydrophobicContact CD2-CE 4.24Å; F95-M138 HydrophobicContact CE2-CE 3.99Å; F95-M138 HydrophobicContact CE2-CG 4.07Å; F95-M138 HydrophobicContact CZ-CG 4.17Å; W106-M138 HydrophobicContact CB-CE 4.22Å; W106-M138 HydrophobicContact CD2-CE 3.39Å; W106-M138 HydrophobicContact CE3-CE 3.71Å; W106-M138 HydrophobicContact CG-CE 3.62Å; W106-M138 HydrophobicContact CZ2-CE 4.32Å; W106-M138 HydrophobicContact CZ3-CE 4.32Å; K134-M138 WeakPolarHBondContact O-CG 3.24Å; K134-M138 PolarHBondContact O-N 2.96Å; K134-M138 VanDerWaalsContact O-N 3.11Å; Y135-M138 HydrophobicContact CD1-SD 3.93Å; Y135-M138 HydrophobicContact CE1-SD 4.29Å; Y135-M138 PolarHBondContact O-N 2.79Å; M138-T141 PolarHBondContact O-N 3.17Å; M138-I142 PolarHBondContact O-N 3.34Å; M138-V155 HydrophobicContact CB-CG2 4.36Å; M138-V155 HydrophobicContact CE-CG1 4.45Å; M138-V155 HydrophobicContact SD-CG2 4.27Å; M138-L194 HydrophobicContact CB-CD2 4.27Å; M138-V195 HydrophobicContact SD-CG2 4.24Å |
| 139 | L | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 178.8 | -179.5 | 64.6 | 0 | 0 | 0 | 111.7 | Y29 Y135 E136 L137 I142 N143 Y191 L194 | Y29-L139 HydrophobicContact CD2-CD2 4.23Å; Y29-L139 HydrophobicContact CE2-CD2 3.58Å; Y135-L139 WeakPolarHBondContact O-CB 3.36Å; Y135-L139 PolarHBondContact O-N 2.84Å; E136-L139 PolarHBondContact O-N 2.74Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.87Å; L139-I142 CarbonylContact O-C 3.51Å; L139-I142 PolarHBondContact O-N 3.28Å; L139-N143 WeakPolarHBondContact O-CB 3.44Å; L139-N143 VanDerWaalsContact O-CG 3.23Å; L139-N143 PolarHBondContact O-N 3.12Å; L139-N143 PolarHBondContact O-OD1 3.15Å; L139-Y191 HydrophobicContact CD2-CD1 4.24Å; L139-Y191 HydrophobicContact CD2-CE1 4.15Å; L139-L194 HydrophobicContact CB-CD1 4.2Å; L139-L194 HydrophobicContact CB-CD2 4.13Å; L139-L194 HydrophobicContact CD1-CD1 3.93Å |
| 140 | R | 94.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 176.9 | -73.8 | 175.9 | 178.1 | -149.1 | -2 | 111.8 | L71 E73 P74 V76 E136 L137 I142 N143 E144 | L71-R140 PolarHBondContact O-NH2 2.98Å; E73-R140 PolarHBondContact O-NH2 2.93Å; P74-R140 PolarHBondContact O-NH1 2.85Å; V76-R140 VanDerWaalsContact CG2-CZ 3.45Å; E136-R140 WeakPolarHBondContact O-CG 3.3Å; E136-R140 PolarHBondContact O-N 3.2Å; E136-R140 IonicContact OE1-CZ 3.38Å; E136-R140 IonicContact OE1-NE 3.74Å; E136-R140 PolarHBondContact OE1-NE 2.93Å; E136-R140 IonicContact OE1-NH2 2.8Å; L137-R140 PolarHBondContact O-N 3.49Å; R140-I142 VanDerWaalsContact C-N 3.26Å; R140-I142 PolarHBondContact O-N 2.86Å; R140-N143 PolarHBondContact O-N 3.4Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.26Å |
| 141 | T | 94.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -38.7 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.7 | F95 F104 L137 M138 R145 | F95-T141 HydrophobicContact CE1-CG2 4.25Å; F104-T141 HydrophobicContact CE1-CG2 3.78Å; F104-T141 HydrophobicContact CE2-CG2 4.11Å; F104-T141 HydrophobicContact CZ-CG2 3.51Å; L137-T141 PolarHBondContact O-N 3.13Å; L137-T141 PolarHBondContact O-OG1 3.04Å; L137-T141 VanDerWaalsContact O-OG1 3.07Å; M138-T141 PolarHBondContact O-N 3.17Å; T141-R145 PolarHBondContact O-N 3Å |
| 142 | I | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 173.9 | -80.9 | 170.4 | 0 | 0 | 0 | 111.4 | R37 F104 M138 L139 R140 E144 R145 E146 C153 V155 L194 | R37-I142 VanDerWaalsContact NH2-CG2 3.34Å; F104-I142 HydrophobicContact CD2-CD1 4.47Å; F104-I142 HydrophobicContact CD2-CG1 3.82Å; F104-I142 HydrophobicContact CE2-CG1 4.03Å; M138-I142 PolarHBondContact O-N 3.34Å; L139-I142 CarbonylContact O-C 3.51Å; L139-I142 PolarHBondContact O-N 3.28Å; R140-I142 VanDerWaalsContact C-N 3.26Å; R140-I142 PolarHBondContact O-N 2.86Å; I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 3.04Å; I142-R145 WeakPolarHBondContact O-CB 3.49Å; I142-R145 PolarHBondContact O-N 3.03Å; I142-E146 HydrophobicContact CG2-CG 3.98Å; I142-E146 WeakPolarHBondContact O-CB 3.32Å; I142-E146 WeakPolarHBondContact O-CG 3.42Å; I142-E146 PolarHBondContact O-N 3.01Å; I142-C153 HydrophobicContact CG1-CB 4.39Å; I142-C153 HydrophobicContact CG2-CB 4.23Å; I142-V155 HydrophobicContact CD1-CG2 3.61Å; I142-L194 HydrophobicContact CD1-CD1 3.5Å; I142-L194 VanDerWaalsContact CD1-CD1 3.5Å |
| 143 | N | 94.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -41.6 | -179.5 | -71.4 | -10.4 | 0 | 0 | 0 | 111.8 | N34 L139 R140 R145 E146 K147 | N34-N143 PolarHBondContact ND2-ND2 3.08Å; N34-N143 PolarHBondContact ND2-OD1 3.42Å; N34-N143 PolarHBondContact OD1-OD1 2.85Å; L139-N143 WeakPolarHBondContact O-CB 3.44Å; L139-N143 VanDerWaalsContact O-CG 3.23Å; L139-N143 PolarHBondContact O-N 3.12Å; L139-N143 PolarHBondContact O-OD1 3.15Å; R140-N143 PolarHBondContact O-N 3.4Å; N143-R145 VanDerWaalsContact C-N 3.32Å; N143-R145 PolarHBondContact O-N 3.12Å; N143-E146 PolarHBondContact O-N 3.13Å; N143-K147 VanDerWaalsContact O-CB 3.24Å; N143-K147 WeakPolarHBondContact O-CB 3.3Å; N143-K147 PolarHBondContact O-N 3.34Å |
| 144 | E | 93.6 | Very high | 93.5 | Very high | 140 Ų | 140 | 46.2 Ų | 46.2 | 65% | 0.654 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.5 | -42 | 175.2 | -73.6 | 173.4 | 179.7 | 0 | 0 | 111.9 | R140 I142 A148 | R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 3.04Å; E144-A148 WeakPolarHBondContact O-CB 3.37Å; E144-A148 PolarHBondContact O-N 3.45Å |
| 145 | R | 93.4 | Very high | 93.7 | Very high | 80 Ų | 80 | 46 Ų | 46 | 30% | 0.302 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.3 | -43.7 | 179.1 | -169.6 | 65.4 | 171.2 | -162.7 | 6.2 | 112.3 | W97 F104 T141 I142 N143 K147 A148 T149 | W97-R145 HydrophobicContact CH2-CG 4.02Å; W97-R145 HydrophobicContact CZ2-CG 4.47Å; W97-R145 HydrophobicContact CZ3-CG 4.09Å; F104-R145 HydrophobicContact CE2-CB 4.4Å; T141-R145 PolarHBondContact O-N 3Å; I142-R145 WeakPolarHBondContact O-CB 3.49Å; I142-R145 PolarHBondContact O-N 3.03Å; N143-R145 VanDerWaalsContact C-N 3.32Å; N143-R145 PolarHBondContact O-N 3.12Å; R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.45Å; R145-A148 PolarHBondContact O-N 2.94Å; R145-A148 VanDerWaalsContact O-N 3.13Å; R145-T149 HydrophobicContact CG-CG2 4.3Å; R145-T149 WeakPolarHBondContact O-CB 3.45Å; R145-T149 WeakPolarHBondContact O-CG2 3.34Å; R145-T149 PolarHBondContact O-N 2.78Å; R145-T149 PolarHBondContact O-OG1 3.29Å |
| 146 | E | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.4 | -71.9 | -173.2 | 147.4 | 0 | 0 | 110.7 | F33 R37 I142 N143 A148 G150 R152 C153 | F33-E146 WeakPolarHBondContact CB-OE2 3.37Å; F33-E146 HydrophobicContact CD2-CB 3.63Å; F33-E146 HydrophobicContact CD2-CG 4.18Å; F33-E146 HydrophobicContact CE2-CB 3.9Å; F33-E146 HydrophobicContact CG-CB 4.32Å; F33-E146 HydrophobicContact CG-CG 4.38Å; R37-E146 IonicContact CZ-OE1 3.86Å; R37-E146 IonicContact CZ-OE2 3.37Å; R37-E146 IonicContact NH1-OE1 2.68Å; R37-E146 IonicContact NH1-OE2 3.82Å; R37-E146 PolarHBondContact NH1-OE2 2.94Å; R37-E146 VanDerWaalsContact NH2-CD 3.25Å; R37-E146 IonicContact NH2-OE1 3.89Å; R37-E146 PolarHBondContact NH2-OE1 3.46Å; R37-E146 IonicContact NH2-OE2 2.81Å; R37-E146 PolarHBondContact NH2-OE2 3.25Å; I142-E146 HydrophobicContact CG2-CG 3.98Å; I142-E146 WeakPolarHBondContact O-CB 3.32Å; I142-E146 WeakPolarHBondContact O-CG 3.42Å; I142-E146 PolarHBondContact O-N 3.01Å; N143-E146 PolarHBondContact O-N 3.13Å; E146-A148 PolarHBondContact O-N 3.18Å; E146-G150 VanDerWaalsContact O-CA 3.29Å; E146-G150 WeakPolarHBondContact O-CA 3.13Å; E146-G150 PolarHBondContact O-N 2.84Å; E146-R152 VanDerWaalsContact OE1-CA 3.26Å; E146-R152 WeakPolarHBondContact OE1-CA 3.44Å; E146-R152 WeakPolarHBondContact OE1-CG 3.11Å; E146-C153 HydrophobicContact CG-CB 4.15Å; E146-C153 PolarHBondContact OE1-N 3.09Å |
| 147 | K | 92.7 | Very high | 93.6 | Very high | 187 Ų | 187 | 45.6 Ų | 45.6 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -39.1 | 172.8 | -173.3 | -179.9 | -178.2 | 177.9 | 0 | 112.6 | N143 R145 | N143-K147 VanDerWaalsContact O-CB 3.24Å; N143-K147 WeakPolarHBondContact O-CB 3.3Å; N143-K147 PolarHBondContact O-N 3.34Å; R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.45Å |
| 148 | A | 92.7 | Very high | 93.5 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 70% | 0.702 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -76.8 | -32.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E144 R145 E146 | E144-A148 WeakPolarHBondContact O-CB 3.37Å; E144-A148 PolarHBondContact O-N 3.45Å; R145-A148 PolarHBondContact O-N 2.94Å; R145-A148 VanDerWaalsContact O-N 3.13Å; E146-A148 PolarHBondContact O-N 3.18Å |
| 149 | T | 91 | Very high | 93.2 | Very high | 53 Ų | 53 | 45 Ų | 45 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -104.8 | -23.9 | -172.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | R145 V151 | R145-T149 HydrophobicContact CG-CG2 4.3Å; R145-T149 WeakPolarHBondContact O-CB 3.45Å; R145-T149 WeakPolarHBondContact O-CG2 3.34Å; R145-T149 PolarHBondContact O-N 2.78Å; R145-T149 PolarHBondContact O-OG1 3.29Å; T149-V151 PolarHBondContact O-N 3.28Å; T149-V151 PolarHBondContact OG1-N 3.18Å |
| 150 | G | 89.5 | Confident | 92.8 | Very high | 53 Ų | 53 | 45 Ų | 45 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 68.4 | 13.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F33 E146 | F33-G150 WeakPolarHBondContact CZ-O 3.35Å; E146-G150 VanDerWaalsContact O-CA 3.29Å; E146-G150 WeakPolarHBondContact O-CA 3.13Å; E146-G150 PolarHBondContact O-N 2.84Å |
| 151 | V | 89.4 | Confident | 92.4 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -119.7 | 133 | -178.7 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | N102 T149 C153 | N102-V151 WeakPolarHBondContact ND2-CB 3.29Å; N102-V151 WeakPolarHBondContact ND2-CG1 3.44Å; T149-V151 PolarHBondContact O-N 3.28Å; T149-V151 PolarHBondContact OG1-N 3.18Å; V151-C153 PolarHBondContact O-N 3.32Å; V151-C153 PolarHBondContact O-SG 3.22Å |
| 152 | R | 87.8 | Confident | 91.8 | Very high | 88 Ų | 88 | 45 Ų | 45 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | trans | -61.7 | 132.4 | 178.9 | -171.1 | -179.1 | 173 | -157 | -1 | 112 | F33 N102 E146 E193 | F33-R152 HydrophobicContact CD1-CB 3.63Å; F33-R152 HydrophobicContact CD1-CG 3.99Å; F33-R152 HydrophobicContact CE1-CB 3.82Å; N102-R152 PolarHBondContact ND2-O 2.82Å; E146-R152 VanDerWaalsContact OE1-CA 3.26Å; E146-R152 WeakPolarHBondContact OE1-CA 3.44Å; E146-R152 WeakPolarHBondContact OE1-CG 3.11Å; R152-E193 VanDerWaalsContact NH2-CB 3.27Å; R152-E193 IonicContact NH2-OE2 2.85Å | ||
| 153 | C | 92.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | trans | -119.9 | 160.5 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | R37 W97 N102 I142 E146 V151 | R37-C153 PolarHBondContact NH2-O 3.33Å; W97-C153 HydrophobicContact CZ3-CB 4.41Å; N102-C153 PolarHBondContact ND2-SG 2.77Å; N102-C153 WeakPolarHBondContact O-CA 3.18Å; I142-C153 HydrophobicContact CG1-CB 4.39Å; I142-C153 HydrophobicContact CG2-CB 4.23Å; E146-C153 HydrophobicContact CG-CB 4.15Å; E146-C153 PolarHBondContact OE1-N 3.09Å; V151-C153 PolarHBondContact O-N 3.32Å; V151-C153 PolarHBondContact O-SG 3.22Å | ||
| 154 | S | 94 | Very high | 89.7 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 174.3 | 171.7 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | C103 F104 | C103-S154 CarbonylContact C-O 3.49Å; C103-S154 VanDerWaalsContact CA-O 3.31Å; C103-S154 WeakPolarHBondContact CA-O 3.5Å; C103-S154 VanDerWaalsContact CB-O 3.29Å; C103-S154 WeakPolarHBondContact CB-O 3.39Å; F104-S154 PolarHBondContact N-O 2.82Å |
| 155 | V | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123 | 169.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | F95 F104 W106 M138 I142 L194 V195 N196 | F95-V155 HydrophobicContact CE2-CG1 3.97Å; F95-V155 HydrophobicContact CE2-CG2 4.09Å; F95-V155 HydrophobicContact CZ-CG2 4.27Å; F104-V155 HydrophobicContact CB-CG2 4.41Å; F104-V155 CarbonylContact O-C 3.54Å; F104-V155 VanDerWaalsContact O-CA 3.31Å; F104-V155 WeakPolarHBondContact O-CA 3.37Å; W106-V155 HydrophobicContact CB-CG1 3.59Å; M138-V155 HydrophobicContact CB-CG2 4.36Å; M138-V155 HydrophobicContact CE-CG1 4.45Å; M138-V155 HydrophobicContact SD-CG2 4.27Å; I142-V155 HydrophobicContact CD1-CG2 3.61Å; V155-L194 PolarHBondContact N-O 3.41Å; V155-V195 HydrophobicContact CB-CB 4.36Å; V155-V195 HydrophobicContact CB-CG1 4.22Å; V155-V195 HydrophobicContact CB-CG2 4.04Å; V155-V195 HydrophobicContact CG1-CG1 4.24Å; V155-V195 HydrophobicContact CG1-CG2 4.45Å; V155-V195 HydrophobicContact CG2-CG2 4.44Å; V155-V195 CarbonylContact O-C 3.53Å; V155-V195 WeakPolarHBondContact O-CA 3.36Å; V155-N196 PolarHBondContact O-N 3.47Å |
| 156 | Y | 95.7 | Very high | 87 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.5 | 168.3 | -170.1 | -78.4 | 0 | 0 | 0 | 108.6 | F104 L105 W106 V158 P197 N199 E240 L241 | F104-Y156 PolarHBondContact O-N 3.12Å; L105-Y156 WeakPolarHBondContact CA-O 3.47Å; L105-Y156 HydrophobicContact CD1-CD1 4Å; W106-Y156 PolarHBondContact N-O 3.02Å; Y156-V158 HydrophobicContact CD1-CG2 4.02Å; Y156-V158 HydrophobicContact CE1-CG2 3.7Å; Y156-P197 HydrophobicContact CD2-CG 3.91Å; Y156-P197 HydrophobicContact CE2-CG 3.57Å; Y156-N199 WeakPolarHBondContact CE1-ND2 3.31Å; Y156-N199 PolarHBondContact OH-ND2 3.13Å; Y156-N199 VanDerWaalsContact OH-ND2 3.07Å; Y156-E240 HydrophobicContact CE2-CB 4.28Å; Y156-E240 WeakPolarHBondContact CE2-OE2 3.07Å; Y156-E240 PolarHBondContact OH-OE2 3.36Å; Y156-L241 HydrophobicContact CD1-CD1 3.92Å; Y156-L241 HydrophobicContact CD1-CD2 3.98Å; Y156-L241 HydrophobicContact CD1-CG 4.28Å; Y156-L241 HydrophobicContact CD2-CD2 4.21Å; Y156-L241 HydrophobicContact CE1-CD1 3.66Å; Y156-L241 HydrophobicContact CE1-CD2 4.07Å; Y156-L241 HydrophobicContact CE1-CG 3.93Å; Y156-L241 HydrophobicContact CE2-CD2 4.31Å; Y156-L241 HydrophobicContact CG-CD2 4.06Å |
| 157 | A | 95.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | W106 V195 P197 I198 N199 | W106-A157 HydrophobicContact CE3-CB 3.85Å; W106-A157 CarbonylContact O-C 3.55Å; W106-A157 WeakPolarHBondContact O-CA 3.47Å; A157-V195 HydrophobicContact CB-CG1 3.57Å; A157-P197 PolarHBondContact N-O 3.47Å; A157-I198 HydrophobicContact CB-CG1 4.25Å; A157-N199 WeakPolarHBondContact O-CB 3.32Å; A157-N199 PolarHBondContact O-N 3.02Å; A157-N199 PolarHBondContact O-ND2 3.14Å |
| 158 | V | 91.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.8 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | L105 W106 W107 V108 Y156 N199 I201 I237 | L105-V158 HydrophobicContact CD1-CG2 4.12Å; W106-V158 PolarHBondContact O-N 3.36Å; W107-V158 CarbonylContact C-O 3.58Å; W107-V158 WeakPolarHBondContact CA-O 3.42Å; W107-V158 HydrophobicContact CD2-CB 3.92Å; W107-V158 HydrophobicContact CD2-CG1 3.91Å; W107-V158 HydrophobicContact CE3-CB 3.63Å; W107-V158 HydrophobicContact CE3-CG1 3.73Å; W107-V158 HydrophobicContact CE3-CG2 3.88Å; W107-V158 HydrophobicContact CG-CB 4.45Å; W107-V158 HydrophobicContact CH2-CG1 3.72Å; W107-V158 HydrophobicContact CZ2-CG1 3.88Å; W107-V158 HydrophobicContact CZ3-CB 3.98Å; W107-V158 HydrophobicContact CZ3-CG1 3.65Å; W107-V158 HydrophobicContact CZ3-CG2 4Å; V108-V158 PolarHBondContact N-O 2.79Å; Y156-V158 HydrophobicContact CD1-CG2 4.02Å; Y156-V158 HydrophobicContact CE1-CG2 3.7Å; V158-N199 CarbonylContact C-O 3.42Å; V158-N199 WeakPolarHBondContact CA-O 3.5Å; V158-I201 HydrophobicContact CG1-CD1 3.71Å; V158-I201 HydrophobicContact CG1-CG1 4.14Å; V158-I201 HydrophobicContact CG1-CG2 4.22Å; V158-I237 HydrophobicContact CG1-CD1 4.15Å; V158-I237 HydrophobicContact CG2-CD1 4.26Å |
| 159 | I | 90.5 | Very high | 82 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.6 | -178.2 | -56.7 | 178.4 | 0 | 0 | 0 | 107.6 | V108 Y110 L161 I198 N199 M200 I201 | V108-I159 HydrophobicContact CG1-CG2 4.4Å; V108-I159 CarbonylContact O-C 3.56Å; V108-I159 WeakPolarHBondContact O-CA 3.3Å; Y110-I159 HydrophobicContact CD2-CG2 3.49Å; Y110-I159 VanDerWaalsContact CD2-CG2 3.49Å; Y110-I159 HydrophobicContact CE2-CG2 3.86Å; Y110-I159 HydrophobicContact CG-CG2 4.16Å; I159-L161 HydrophobicContact CG2-CD2 3.81Å; I159-L161 HydrophobicContact CG2-CG 4.25Å; I159-I198 HydrophobicContact CD1-CG2 3.66Å; I159-I198 HydrophobicContact CG1-CG2 4.41Å; I159-N199 PolarHBondContact N-O 3.23Å; I159-M200 WeakPolarHBondContact O-CA 3.37Å; I159-I201 PolarHBondContact O-N 2.89Å |
| 160 | D | 86.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 116.9 | 174.6 | -165.5 | -12.9 | 0 | 0 | 0 | 110.1 | V108 Y110 R162 I201 N202 | V108-D160 PolarHBondContact O-N 2.68Å; Y110-D160 WeakPolarHBondContact CB-O 3.12Å; Y110-D160 PolarHBondContact N-O 3.47Å; D160-R162 VanDerWaalsContact OD1-CB 3.22Å; D160-R162 WeakPolarHBondContact OD1-CB 3.45Å; D160-R162 PolarHBondContact OD1-N 3.29Å; D160-R162 IonicContact OD2-CZ 2.88Å; D160-R162 IonicContact OD2-NE 2.64Å; D160-R162 IonicContact OD2-NH2 3.14Å; D160-R162 PolarHBondContact OD2-NH2 3.08Å; D160-I201 HydrophobicContact CB-CD1 4.13Å; D160-I201 HydrophobicContact CB-CG1 3.99Å; D160-N202 VanDerWaalsContact CG-ND2 3.33Å; D160-N202 VanDerWaalsContact OD1-CB 3.3Å; D160-N202 WeakPolarHBondContact OD1-CB 3.28Å; D160-N202 PolarHBondContact OD1-ND2 3.37Å; D160-N202 PolarHBondContact OD2-ND2 3.38Å |
| 161 | L | 85.8 | Confident | 78.9 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | trans | -105.7 | 20 | 179.3 | -61.5 | -179.8 | 0 | 0 | 0 | 112.3 | Y110 I159 D163 W164 M200 I201 N202 A203 | Y110-L161 HydrophobicContact CD2-CD2 4.09Å; I159-L161 HydrophobicContact CG2-CD2 3.81Å; I159-L161 HydrophobicContact CG2-CG 4.25Å; L161-D163 PolarHBondContact O-N 2.9Å; L161-W164 HydrophobicContact CB-CB 4.21Å; L161-W164 HydrophobicContact CD2-CD2 4.25Å; L161-W164 HydrophobicContact CD2-CE3 4.09Å; L161-W164 WeakPolarHBondContact O-CB 3.17Å; L161-W164 PolarHBondContact O-N 3.28Å; L161-W164 VanDerWaalsContact O-N 3.08Å; L161-M200 HydrophobicContact CD1-CB 3.94Å; L161-M200 HydrophobicContact CD1-CG 4.18Å; L161-M200 HydrophobicContact CD1-SD 4.27Å; L161-I201 PolarHBondContact N-O 2.98Å; L161-N202 CarbonylContact C-O 3.49Å; L161-A203 HydrophobicContact CB-CB 4.46Å; L161-A203 HydrophobicContact CD1-CB 4.04Å | ||
| 162 | R | 82.6 | Confident | 77.2 | Confident | 84 Ų | 84 | 43 Ų | 43 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 135.3 | 174.5 | -171 | -174.6 | -40.7 | -174.2 | 10.8 | 110.5 | S111 D160 W164 N202 E249 | S111-R162 WeakPolarHBondContact CA-O 3.39Å; S111-R162 WeakPolarHBondContact CB-O 3.45Å; D160-R162 VanDerWaalsContact OD1-CB 3.22Å; D160-R162 WeakPolarHBondContact OD1-CB 3.45Å; D160-R162 PolarHBondContact OD1-N 3.29Å; D160-R162 IonicContact OD2-CZ 2.88Å; D160-R162 IonicContact OD2-NE 2.64Å; D160-R162 IonicContact OD2-NH2 3.14Å; D160-R162 PolarHBondContact OD2-NH2 3.08Å; R162-W164 PolarHBondContact O-N 3.45Å; R162-N202 HydrophobicContact CB-CB 3.88Å; R162-E249 IonicContact NH2-OE1 3.41Å; R162-E249 PolarHBondContact NH2-OE1 3.16Å |
| 163 | D | 72.8 | Confident | 75.8 | Confident | 135 Ų | 135 | 40.8 Ų | 40.8 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 19.7 | -179.7 | -53.9 | -38.9 | 0 | 0 | 0 | 114.8 | L161 P165 | L161-D163 PolarHBondContact O-N 2.9Å; D163-P165 WeakPolarHBondContact O-CD 3.3Å; D163-P165 VanDerWaalsContact O-N 3.09Å |
| 164 | W | 73 | Confident | 74.1 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | trans | -61.2 | 116 | 177.9 | -175.6 | -94.3 | 0 | 0 | 0 | 109.7 | Y110 L113 M115 L161 R162 P204 W206 | Y110-W164 VanDerWaalsContact CB-CZ3 3.41Å; Y110-W164 HydrophobicContact CD2-CH2 4.3Å; Y110-W164 AromaticContact CD2-CZ3 3.98Å; Y110-W164 HydrophobicContact CD2-CZ3 3.98Å; Y110-W164 HydrophobicContact CG-CH2 4.46Å; Y110-W164 AromaticContact CG-CZ3 3.79Å; Y110-W164 HydrophobicContact CG-CZ3 3.79Å; Y110-W164 WeakPolarHBondContact O-CZ3 3.34Å; L113-W164 HydrophobicContact CB-CE3 4.35Å; L113-W164 HydrophobicContact CB-CH2 3.93Å; L113-W164 HydrophobicContact CB-CZ3 3.47Å; L113-W164 VanDerWaalsContact CB-CZ3 3.47Å; L113-W164 HydrophobicContact CD1-CH2 3.78Å; L113-W164 HydrophobicContact CD1-CZ3 3.81Å; L113-W164 HydrophobicContact CD2-CH2 3.69Å; L113-W164 HydrophobicContact CD2-CZ3 4.16Å; L113-W164 HydrophobicContact CG-CH2 4.02Å; L113-W164 HydrophobicContact CG-CZ3 4.03Å; M115-W164 HydrophobicContact CG-CH2 4.14Å; M115-W164 HydrophobicContact CG-CZ2 3.82Å; M115-W164 HydrophobicContact SD-CH2 4.18Å; M115-W164 HydrophobicContact SD-CZ2 4.16Å; L161-W164 HydrophobicContact CB-CB 4.21Å; L161-W164 HydrophobicContact CD2-CD2 4.25Å; L161-W164 HydrophobicContact CD2-CE3 4.09Å; L161-W164 WeakPolarHBondContact O-CB 3.17Å; L161-W164 PolarHBondContact O-N 3.28Å; L161-W164 VanDerWaalsContact O-N 3.08Å; R162-W164 PolarHBondContact O-N 3.45Å; W164-P204 HydrophobicContact CB-CG 4.33Å; W164-W206 AromaticContact CD1-CZ2 3.56Å | ||
| 165 | P | 65.3 | Low | 72.3 | Confident | 60 Ų | 60 | 45 Ų | 45 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | trans | -66.6 | 142.9 | -167.7 | 25.6 | -34.2 | 0 | 0 | 0 | 110.8 | D163 N167 W206 | D163-P165 WeakPolarHBondContact O-CD 3.3Å; D163-P165 VanDerWaalsContact O-N 3.09Å; P165-N167 PolarHBondContact O-N 2.93Å; P165-W206 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 166 | I | 65.1 | Low | 70.8 | Confident | 134 Ų | 134 | 47 Ų | 47 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | trans | -60.9 | 103.4 | 165.6 | -64.9 | 170.1 | 0 | 0 | 0 | 106.8 | W206 | I166-W206 VanDerWaalsContact CG1-CD1 3.47Å; I166-W206 HydrophobicContact CG1-CD2 4.27Å; I166-W206 HydrophobicContact CG1-CG 4Å | ||
| 167 | N | 62.6 | Low | 69.7 | Low | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | trans | -107.2 | 112.6 | 176.7 | -165.8 | -33 | 0 | 0 | 0 | 108.8 | M115 S116 P165 L169 T170 | M115-N167 VanDerWaalsContact CB-ND2 3.27Å; M115-N167 WeakPolarHBondContact CB-ND2 3.45Å; S116-N167 PolarHBondContact OG-ND2 2.96Å; P165-N167 PolarHBondContact O-N 2.93Å; N167-L169 PolarHBondContact O-N 3.2Å; N167-L169 WeakPolarHBondContact OD1-CA 3.42Å; N167-L169 WeakPolarHBondContact OD1-CB 3.45Å; N167-L169 WeakPolarHBondContact OD1-CG 3.29Å; N167-L169 PolarHBondContact OD1-N 3.28Å; N167-T170 WeakPolarHBondContact O-CB 3.32Å; N167-T170 PolarHBondContact O-N 2.87Å | ||
| 168 | P | 54.2 | Low | 68.9 | Low | 96 Ų | 96 | 48 Ų | 48 | 62% | 0.623 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52 | -28 | 173.2 | -26.4 | 34.3 | 0 | 0 | 0 | 113 | L171 L172 | P168-L171 WeakPolarHBondContact O-CB 3.12Å; P168-L171 PolarHBondContact O-N 3.43Å; P168-L172 PolarHBondContact O-N 2.79Å |
| 169 | L | 58.1 | Low | 68.3 | Low | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 175.1 | -55.2 | 172.2 | 0 | 0 | 0 | 112 | I119 N167 L171 L172 F173 | I119-L169 HydrophobicContact CB-CD1 4.47Å; I119-L169 HydrophobicContact CD1-CB 3.68Å; I119-L169 HydrophobicContact CD1-CD1 3.4Å; I119-L169 VanDerWaalsContact CD1-CD1 3.4Å; I119-L169 HydrophobicContact CD1-CG 4.11Å; N167-L169 PolarHBondContact O-N 3.2Å; N167-L169 WeakPolarHBondContact OD1-CA 3.42Å; N167-L169 WeakPolarHBondContact OD1-CB 3.45Å; N167-L169 WeakPolarHBondContact OD1-CG 3.29Å; N167-L169 PolarHBondContact OD1-N 3.28Å; L169-L171 PolarHBondContact O-N 3.13Å; L169-L172 HydrophobicContact CD2-CD1 3.79Å; L169-L172 WeakPolarHBondContact O-CA 3.37Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 3.33Å; L169-L172 VanDerWaalsContact O-N 3.07Å; L169-F173 WeakPolarHBondContact O-CD2 3.34Å; L169-F173 PolarHBondContact O-N 3.16Å |
| 170 | T | 61.4 | Low | 68 | Low | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 172.5 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | N167 L172 F173 V174 W206 | N167-T170 WeakPolarHBondContact O-CB 3.32Å; N167-T170 PolarHBondContact O-N 2.87Å; T170-L172 VanDerWaalsContact C-N 3.34Å; T170-F173 PolarHBondContact O-N 3.27Å; T170-V174 VanDerWaalsContact O-CG2 3.28Å; T170-V174 WeakPolarHBondContact O-CG2 3.29Å; T170-V174 PolarHBondContact O-N 3.46Å; T170-W206 HydrophobicContact CG2-CH2 3.91Å; T170-W206 HydrophobicContact CG2-CZ3 4.09Å |
| 171 | L | 54.9 | Low | 68.1 | Low | 52 Ų | 52 | 53.1 Ų | 53.1 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 174.7 | -153.4 | 81.2 | 0 | 0 | 0 | 111.8 | P168 L169 V174 N175 L209 P210 | P168-L171 WeakPolarHBondContact O-CB 3.12Å; P168-L171 PolarHBondContact O-N 3.43Å; L169-L171 PolarHBondContact O-N 3.13Å; L171-V174 PolarHBondContact O-N 3.47Å; L171-N175 WeakPolarHBondContact O-CB 3.31Å; L171-N175 VanDerWaalsContact O-CG 3.29Å; L171-N175 PolarHBondContact O-N 2.99Å; L171-L209 HydrophobicContact CD1-CD2 4.5Å; L171-P210 HydrophobicContact CD1-CG 4.39Å |
| 172 | L | 52.4 | Low | 68.2 | Low | 95 Ų | 95 | 55 Ų | 55 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 173.3 | -67.4 | 175.6 | 0 | 0 | 0 | 112.1 | P168 L169 T170 V174 N175 D176 | P168-L172 PolarHBondContact O-N 2.79Å; L169-L172 HydrophobicContact CD2-CD1 3.79Å; L169-L172 WeakPolarHBondContact O-CA 3.37Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 3.33Å; L169-L172 VanDerWaalsContact O-N 3.07Å; T170-L172 VanDerWaalsContact C-N 3.34Å; L172-V174 PolarHBondContact O-N 3.01Å; L172-N175 PolarHBondContact O-N 3.44Å; L172-D176 PolarHBondContact O-N 2.99Å |
| 173 | F | 58.4 | Low | 68.6 | Low | 42 Ų | 42 | 51.5 Ų | 51.5 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -23.6 | 176.7 | -76 | -76.6 | 0 | 0 | 0 | 113.5 | M115 I119 L169 T170 D176 Q178 M179 Y182 | M115-F173 HydrophobicContact CE-CE2 4.39Å; I119-F173 HydrophobicContact CD1-CE2 3.56Å; I119-F173 HydrophobicContact CD1-CZ 4.15Å; I119-F173 HydrophobicContact CG1-CE2 3.97Å; I119-F173 HydrophobicContact CG1-CZ 4.05Å; L169-F173 WeakPolarHBondContact O-CD2 3.34Å; L169-F173 PolarHBondContact O-N 3.16Å; T170-F173 PolarHBondContact O-N 3.27Å; F173-D176 VanDerWaalsContact C-OD1 3.24Å; F173-D176 VanDerWaalsContact CA-OD1 3.26Å; F173-D176 WeakPolarHBondContact CA-OD1 3.31Å; F173-Q178 HydrophobicContact CB-CB 4.4Å; F173-Q178 HydrophobicContact CD1-CB 3.68Å; F173-Q178 HydrophobicContact CD1-CG 4.18Å; F173-Q178 PolarHBondContact O-N 2.91Å; F173-M179 HydrophobicContact CB-CG 3.84Å; F173-M179 HydrophobicContact CB-SD 4.4Å; F173-M179 PolarHBondContact O-N 2.81Å; F173-Y182 HydrophobicContact CD1-CE2 4.44Å; F173-Y182 HydrophobicContact CE1-CE2 4.44Å |
| 174 | V | 56.5 | Low | 69.5 | Low | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79.3 | -49.5 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | T170 L171 L172 D176 G177 M179 P210 L213 | T170-V174 VanDerWaalsContact O-CG2 3.28Å; T170-V174 WeakPolarHBondContact O-CG2 3.29Å; T170-V174 PolarHBondContact O-N 3.46Å; L171-V174 PolarHBondContact O-N 3.47Å; L172-V174 PolarHBondContact O-N 3.01Å; V174-D176 VanDerWaalsContact C-N 3.31Å; V174-D176 PolarHBondContact O-N 3.28Å; V174-G177 PolarHBondContact O-N 3.35Å; V174-M179 HydrophobicContact CG2-CG 4.09Å; V174-P210 HydrophobicContact CG1-CB 4.5Å; V174-P210 HydrophobicContact CG2-CB 3.53Å; V174-P210 HydrophobicContact CG2-CG 4.07Å; V174-L213 HydrophobicContact CG1-CB 3.66Å; V174-L213 HydrophobicContact CG1-CD1 3.63Å; V174-L213 HydrophobicContact CG1-CG 4.3Å |
| 175 | N | 58 | Low | 70.5 | Confident | 110 Ų | 110 | 45.8 Ų | 45.8 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.6 | -29.8 | -175.3 | -71.2 | -6 | 0 | 0 | 0 | 113.1 | L171 L172 G177 | L171-N175 WeakPolarHBondContact O-CB 3.31Å; L171-N175 VanDerWaalsContact O-CG 3.29Å; L171-N175 PolarHBondContact O-N 2.99Å; L172-N175 PolarHBondContact O-N 3.44Å; N175-G177 VanDerWaalsContact C-N 3.32Å |
| 176 | D | 64.4 | Low | 71.9 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.6 | 174.4 | 72.2 | 5.3 | 0 | 0 | 0 | 113.6 | L172 F173 V174 Q178 R359 | L172-D176 PolarHBondContact O-N 2.99Å; F173-D176 VanDerWaalsContact C-OD1 3.24Å; F173-D176 VanDerWaalsContact CA-OD1 3.26Å; F173-D176 WeakPolarHBondContact CA-OD1 3.31Å; V174-D176 VanDerWaalsContact C-N 3.31Å; V174-D176 PolarHBondContact O-N 3.28Å; D176-Q178 VanDerWaalsContact CG-CG 3.43Å; D176-Q178 PolarHBondContact O-N 3.39Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.33Å; D176-Q178 WeakPolarHBondContact OD1-CG 3.46Å; D176-Q178 PolarHBondContact OD1-N 2.73Å; D176-Q178 WeakPolarHBondContact OD2-CG 3.47Å; D176-R359 PolarHBondContact O-NH1 3.16Å; D176-R359 PolarHBondContact O-NH2 2.78Å |
| 177 | G | 73.2 | Confident | 73.3 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 12.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V174 N175 S180 Y181 R359 | V174-G177 PolarHBondContact O-N 3.35Å; N175-G177 VanDerWaalsContact C-N 3.32Å; G177-S180 PolarHBondContact O-N 3.33Å; G177-Y181 WeakPolarHBondContact O-CB 3.43Å; G177-Y181 PolarHBondContact O-N 2.84Å; G177-R359 PolarHBondContact O-NH1 3.17Å |
| 178 | Q | 79.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | 177 | -73.2 | -77.3 | -71 | 0 | 0 | 112.2 | F173 D176 Y181 Y182 A320 R359 | F173-Q178 HydrophobicContact CB-CB 4.4Å; F173-Q178 HydrophobicContact CD1-CB 3.68Å; F173-Q178 HydrophobicContact CD1-CG 4.18Å; F173-Q178 PolarHBondContact O-N 2.91Å; D176-Q178 VanDerWaalsContact CG-CG 3.43Å; D176-Q178 PolarHBondContact O-N 3.39Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.33Å; D176-Q178 WeakPolarHBondContact OD1-CG 3.46Å; D176-Q178 PolarHBondContact OD1-N 2.73Å; D176-Q178 WeakPolarHBondContact OD2-CG 3.47Å; Q178-Y181 WeakPolarHBondContact O-CB 3.18Å; Q178-Y181 PolarHBondContact O-N 3.42Å; Q178-Y182 HydrophobicContact CB-CE2 4.45Å; Q178-Y182 VanDerWaalsContact O-CG 3.3Å; Q178-Y182 PolarHBondContact O-N 2.72Å; Q178-Y182 PolarHBondContact OE1-OH 2.97Å; Q178-A320 HydrophobicContact CG-CB 4.43Å; Q178-R359 PolarHBondContact NE2-O 3.03Å; Q178-R359 PolarHBondContact OE1-O 2.77Å |
| 179 | M | 79.3 | Confident | 76.5 | Confident | 80 Ų | 80 | 34.7 Ų | 34.7 | 39% | 0.394 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 175.9 | -75.3 | -60.1 | -69.4 | 0 | 0 | 112.1 | F173 V174 Y181 Y182 A183 V214 | F173-M179 HydrophobicContact CB-CG 3.84Å; F173-M179 HydrophobicContact CB-SD 4.4Å; F173-M179 PolarHBondContact O-N 2.81Å; V174-M179 HydrophobicContact CG2-CG 4.09Å; M179-Y181 VanDerWaalsContact C-N 3.3Å; M179-Y181 PolarHBondContact O-N 3.44Å; M179-Y182 PolarHBondContact O-N 2.87Å; M179-A183 WeakPolarHBondContact O-CB 3.31Å; M179-A183 PolarHBondContact O-N 2.95Å; M179-V214 HydrophobicContact CB-CG2 3.79Å |
| 180 | S | 83.5 | Confident | 78.3 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | G177 A183 N184 T217 | G177-S180 PolarHBondContact O-N 3.33Å; S180-A183 PolarHBondContact O-N 3Å; S180-N184 VanDerWaalsContact O-CB 3.32Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 3.15Å; S180-T217 PolarHBondContact OG-OG1 3.43Å; S180-T217 VanDerWaalsContact OG-OG1 3.09Å |
| 181 | Y | 88.5 | Confident | 80 | Confident | 30 Ų | 30 | 32.9 Ų | 32.9 | 12% | 0.118 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 176.5 | 172.5 | -110 | 0 | 0 | 0 | 112.2 | G177 Q178 M179 N184 L185 R359 | G177-Y181 WeakPolarHBondContact O-CB 3.43Å; G177-Y181 PolarHBondContact O-N 2.84Å; Q178-Y181 WeakPolarHBondContact O-CB 3.18Å; Q178-Y181 PolarHBondContact O-N 3.42Å; M179-Y181 VanDerWaalsContact C-N 3.3Å; M179-Y181 PolarHBondContact O-N 3.44Å; Y181-N184 PolarHBondContact O-N 3.11Å; Y181-L185 HydrophobicContact CE1-CD2 3.98Å; Y181-L185 HydrophobicContact CE2-CB 4.39Å; Y181-L185 HydrophobicContact CE2-CD1 4.27Å; Y181-L185 WeakPolarHBondContact O-CB 3.43Å; Y181-L185 PolarHBondContact O-N 3.33Å; Y181-R359 HydrophobicContact CD1-CB 3.93Å; Y181-R359 WeakPolarHBondContact CD1-O 3.48Å; Y181-R359 HydrophobicContact CD2-CB 4.18Å; Y181-R359 HydrophobicContact CE1-CB 3.6Å; Y181-R359 WeakPolarHBondContact CE1-O 3.39Å; Y181-R359 HydrophobicContact CE2-CB 3.86Å; Y181-R359 HydrophobicContact CG-CB 4.22Å; Y181-R359 PolarHBondContact OH-N 3.03Å |
| 182 | Y | 89 | Confident | 81.9 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | -179.9 | -60.5 | -17.8 | 0 | 0 | 0 | 112.5 | L128 F173 Q178 M179 N184 L185 F186 | L128-Y182 HydrophobicContact CD1-CE1 4.3Å; L128-Y182 HydrophobicContact CD2-CD1 3.72Å; L128-Y182 HydrophobicContact CD2-CE1 3.66Å; L128-Y182 HydrophobicContact CD2-CG 4.43Å; L128-Y182 HydrophobicContact CG-CE1 4.43Å; F173-Y182 HydrophobicContact CD1-CE2 4.44Å; F173-Y182 HydrophobicContact CE1-CE2 4.44Å; Q178-Y182 HydrophobicContact CB-CE2 4.45Å; Q178-Y182 VanDerWaalsContact O-CG 3.3Å; Q178-Y182 PolarHBondContact O-N 2.72Å; Q178-Y182 PolarHBondContact OE1-OH 2.97Å; M179-Y182 PolarHBondContact O-N 2.87Å; Y182-N184 VanDerWaalsContact C-N 3.31Å; Y182-N184 PolarHBondContact O-N 2.76Å; Y182-L185 PolarHBondContact O-N 2.61Å; Y182-F186 WeakPolarHBondContact O-CD2 3.4Å; Y182-F186 PolarHBondContact O-N 3.38Å; Y182-F186 VanDerWaalsContact O-N 3.1Å |
| 183 | A | 90.2 | Very high | 83.9 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | M179 S180 H187 M218 F222 F226 | M179-A183 WeakPolarHBondContact O-CB 3.31Å; M179-A183 PolarHBondContact O-N 2.95Å; S180-A183 PolarHBondContact O-N 3Å; A183-H187 WeakPolarHBondContact O-CB 3.3Å; A183-H187 PolarHBondContact O-N 3.16Å; A183-H187 VanDerWaalsContact O-N 3.15Å; A183-M218 HydrophobicContact CB-CE 3.93Å; A183-F222 HydrophobicContact CB-CE2 4.17Å; A183-F226 HydrophobicContact CB-CE2 4.42Å; A183-F226 HydrophobicContact CB-CZ 3.97Å |
| 184 | N | 90.9 | Very high | 85.7 | Confident | 41 Ų | 41 | 24.7 Ų | 24.7 | 22% | 0.219 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -50.9 | 176.7 | -158.1 | 56.4 | 0 | 0 | 0 | 111.9 | S180 Y181 Y182 F186 Y188 E189 M218 | S180-N184 VanDerWaalsContact O-CB 3.32Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 3.15Å; Y181-N184 PolarHBondContact O-N 3.11Å; Y182-N184 VanDerWaalsContact C-N 3.31Å; Y182-N184 PolarHBondContact O-N 2.76Å; N184-F186 PolarHBondContact O-N 2.87Å; N184-Y188 CarbonylContact O-C 3.58Å; N184-Y188 WeakPolarHBondContact O-CA 3.38Å; N184-Y188 VanDerWaalsContact O-CB 3.3Å; N184-Y188 WeakPolarHBondContact O-CB 3.5Å; N184-Y188 PolarHBondContact O-N 3.05Å; N184-Y188 WeakPolarHBondContact OD1-CB 3.43Å; N184-E189 PolarHBondContact ND2-OE1 3.13Å; N184-E189 PolarHBondContact O-N 3.37Å; N184-M218 HydrophobicContact CB-CE 4.16Å; N184-M218 HydrophobicContact CB-SD 4.42Å |
| 185 | L | 94.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -52.3 | -52.7 | -177.6 | -177.4 | 70.7 | 0 | 0 | 0 | 111.5 | L128 F132 Y181 Y182 E189 H190 L358 | L128-L185 HydrophobicContact CD2-CD2 4.15Å; F132-L185 HydrophobicContact CE2-CD2 4.23Å; F132-L185 HydrophobicContact CZ-CD1 4.44Å; F132-L185 HydrophobicContact CZ-CD2 4.42Å; F132-L185 HydrophobicContact CZ-CG 4.35Å; Y181-L185 HydrophobicContact CE1-CD2 3.98Å; Y181-L185 HydrophobicContact CE2-CB 4.39Å; Y181-L185 HydrophobicContact CE2-CD1 4.27Å; Y181-L185 WeakPolarHBondContact O-CB 3.43Å; Y181-L185 PolarHBondContact O-N 3.33Å; Y182-L185 PolarHBondContact O-N 2.61Å; L185-E189 WeakPolarHBondContact O-CB 3.18Å; L185-H190 VanDerWaalsContact CD1-CD2 3.48Å; L185-H190 WeakPolarHBondContact CD1-CD2 3.34Å; L185-H190 WeakPolarHBondContact CD1-NE2 3.48Å; L185-H190 WeakPolarHBondContact O-CB 3.4Å; L185-H190 PolarHBondContact O-CD2 2.95Å; L185-H190 VanDerWaalsContact O-CD2 3.23Å; L185-H190 PolarHBondContact O-N 2.93Å; L185-H190 VanDerWaalsContact O-N 3.11Å; L185-L358 HydrophobicContact CD2-CD2 4.02Å |
| 186 | F | 95.8 | Very high | 89.3 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -82.2 | -43.6 | -174.8 | -68.3 | -64 | 0 | 0 | 0 | 113.3 | L128 H131 F132 Y135 Y182 N184 Y191 | L128-F186 HydrophobicContact CD2-CE2 3.82Å; L128-F186 HydrophobicContact CD2-CZ 3.87Å; H131-F186 HydrophobicContact CB-CD1 4.45Å; H131-F186 HydrophobicContact CB-CE1 3.65Å; H131-F186 HydrophobicContact CB-CE2 3.89Å; H131-F186 HydrophobicContact CB-CZ 3.33Å; F132-F186 HydrophobicContact CD1-CE1 4.44Å; F132-F186 AromaticContact CD2-CE1 3.66Å; F132-F186 HydrophobicContact CD2-CE1 3.66Å; F132-F186 HydrophobicContact CD2-CZ 4.21Å; F132-F186 AromaticContact CE2-CE1 3.71Å; F132-F186 HydrophobicContact CE2-CE1 3.71Å; F132-F186 HydrophobicContact CE2-CZ 4.18Å; F132-F186 HydrophobicContact CG-CE1 4.02Å; F132-F186 HydrophobicContact CZ-CE1 4.16Å; Y135-F186 HydrophobicContact CD2-CB 4.12Å; Y135-F186 AromaticContact CD2-CD1 3.57Å; Y135-F186 HydrophobicContact CD2-CD1 3.57Å; Y135-F186 HydrophobicContact CD2-CE1 4.24Å; Y135-F186 AromaticContact CD2-CG 3.98Å; Y135-F186 HydrophobicContact CD2-CG 3.98Å; Y135-F186 HydrophobicContact CE2-CB 3.62Å; Y135-F186 AromaticContact CE2-CD1 3.66Å; Y135-F186 HydrophobicContact CE2-CD1 3.66Å; Y135-F186 HydrophobicContact CE2-CD2 4.25Å; Y135-F186 HydrophobicContact CE2-CE1 4.41Å; Y135-F186 AromaticContact CE2-CG 3.57Å; Y135-F186 HydrophobicContact CE2-CG 3.57Å; Y182-F186 WeakPolarHBondContact O-CD2 3.4Å; Y182-F186 PolarHBondContact O-N 3.38Å; Y182-F186 VanDerWaalsContact O-N 3.1Å; N184-F186 PolarHBondContact O-N 2.87Å; F186-Y191 HydrophobicContact CD1-CD2 4.48Å; F186-Y191 WeakPolarHBondContact O-CA 3.49Å; F186-Y191 VanDerWaalsContact O-CB 3.3Å; F186-Y191 WeakPolarHBondContact O-CB 3.36Å; F186-Y191 PolarHBondContact O-N 2.98Å |
| 187 | H | 94.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 19 Ų | 19 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -98.1 | -10.5 | -167.2 | -60.4 | -78.7 | 0 | 0 | 0 | 114.7 | Y135 A183 P192 I198 F226 | Y135-H187 AromaticContact CE1-CE1 4Å; Y135-H187 AromaticContact CZ-CE1 3.69Å; Y135-H187 AromaticContact CZ-NE2 3.9Å; Y135-H187 PolarHBondContact OH-CE1 2.82Å; Y135-H187 PolarHBondContact OH-NE2 3.4Å; Y135-H187 VanDerWaalsContact OH-NE2 3.13Å; A183-H187 WeakPolarHBondContact O-CB 3.3Å; A183-H187 PolarHBondContact O-N 3.16Å; A183-H187 VanDerWaalsContact O-N 3.15Å; H187-P192 WeakPolarHBondContact O-CA 3.39Å; H187-I198 VanDerWaalsContact CE1-CD1 3.42Å; H187-I198 WeakPolarHBondContact CE1-CD1 3.41Å; H187-F226 HydrophobicContact CB-CE2 4.35Å; H187-F226 HydrophobicContact CB-CZ 4.21Å; H187-F226 AromaticContact CD2-CZ 3.46Å; H187-F226 VanDerWaalsContact CD2-CZ 3.46Å; H187-F226 WeakPolarHBondContact CD2-CZ 3.28Å; H187-F226 AromaticContact CG-CZ 3.8Å |
| 188 | Y | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -126.8 | -37.1 | -176.4 | -75.9 | -79.8 | 0 | 0 | 0 | 112.3 | N41 M45 N184 M218 P219 D221 F222 F226 | N41-Y188 PolarHBondContact ND2-O 2.96Å; N41-Y188 WeakPolarHBondContact OD1-CD1 3.37Å; M45-Y188 VanDerWaalsContact CE-CB 3.45Å; M45-Y188 HydrophobicContact CE-CD1 3.72Å; M45-Y188 HydrophobicContact CE-CG 4.01Å; N184-Y188 CarbonylContact O-C 3.58Å; N184-Y188 WeakPolarHBondContact O-CA 3.38Å; N184-Y188 VanDerWaalsContact O-CB 3.3Å; N184-Y188 WeakPolarHBondContact O-CB 3.5Å; N184-Y188 PolarHBondContact O-N 3.05Å; N184-Y188 WeakPolarHBondContact OD1-CB 3.43Å; Y188-M218 HydrophobicContact CD2-CE 3.73Å; Y188-M218 HydrophobicContact CE2-CE 3.57Å; Y188-P219 HydrophobicContact CD1-CG 4.18Å; Y188-P219 HydrophobicContact CE1-CB 4.11Å; Y188-P219 HydrophobicContact CE1-CG 3.84Å; Y188-D221 WeakPolarHBondContact CE1-OD1 3.36Å; Y188-D221 VanDerWaalsContact OH-CG 3.27Å; Y188-D221 PolarHBondContact OH-OD1 3.44Å; Y188-D221 PolarHBondContact OH-OD2 2.67Å; Y188-F222 HydrophobicContact CE2-CD2 4.4Å; Y188-F222 VanDerWaalsContact OH-CA 3.31Å; Y188-F222 WeakPolarHBondContact OH-CA 3.42Å; Y188-F222 PolarHBondContact OH-N 3.15Å; Y188-F226 HydrophobicContact CE2-CE2 4.35Å |
| 189 | E | 91.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 18.1 Ų | 18.1 | 23% | 0.229 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -92.1 | -32 | -178.3 | -65.5 | -177.9 | -155.7 | 0 | 0 | 114.3 | W38 N184 L185 | W38-E189 WeakPolarHBondContact CH2-O 3.41Å; W38-E189 WeakPolarHBondContact CZ3-O 3.45Å; N184-E189 PolarHBondContact ND2-OE1 3.13Å; N184-E189 PolarHBondContact O-N 3.37Å; L185-E189 WeakPolarHBondContact O-CB 3.18Å |
| 190 | H | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -123.7 | -38.9 | -172.8 | -68.9 | -57.5 | 0 | 0 | 0 | 115.9 | H62 F65 F132 L185 P192 | H62-H190 PolarHBondContact CE1-O 2.96Å; H62-H190 AromaticContact CG-ND1 3.91Å; H62-H190 AromaticContact ND1-CG 3.8Å; H62-H190 AromaticContact ND1-ND1 3.34Å; H62-H190 PolarHBondContact ND1-ND1 3.5Å; H62-H190 PolarHBondContact ND1-O 3.06Å; F65-H190 AromaticContact CD1-CE1 3.63Å; F65-H190 AromaticContact CD1-NE2 3.48Å; F65-H190 WeakPolarHBondContact CD1-NE2 3.16Å; F65-H190 AromaticContact CD2-CE1 3.56Å; F65-H190 AromaticContact CE1-NE2 3.53Å; F65-H190 AromaticContact CE2-CE1 3.98Å; F65-H190 AromaticContact CG-CE1 3.36Å; F65-H190 WeakPolarHBondContact CG-CE1 3.47Å; F65-H190 AromaticContact CG-NE2 3.72Å; F65-H190 AromaticContact CZ-NE2 3.82Å; F132-H190 HydrophobicContact CE1-CB 3.96Å; F132-H190 AromaticContact CE1-CD2 3.53Å; F132-H190 AromaticContact CE1-CG 3.66Å; F132-H190 AromaticContact CZ-CD2 3.39Å; F132-H190 WeakPolarHBondContact CZ-CD2 3.39Å; F132-H190 AromaticContact CZ-NE2 3.72Å; L185-H190 VanDerWaalsContact CD1-CD2 3.48Å; L185-H190 WeakPolarHBondContact CD1-CD2 3.34Å; L185-H190 WeakPolarHBondContact CD1-NE2 3.48Å; L185-H190 WeakPolarHBondContact O-CB 3.4Å; L185-H190 PolarHBondContact O-CD2 2.95Å; L185-H190 VanDerWaalsContact O-CD2 3.23Å; L185-H190 PolarHBondContact O-N 2.93Å; L185-H190 VanDerWaalsContact O-N 3.11Å; H190-P192 WeakPolarHBondContact O-CD 3.48Å |
| 191 | Y | 97.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 2% | 0.02 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -124 | 57.7 | 178.5 | -58.4 | -81.8 | 0 | 0 | 0 | 111.7 | F132 Y135 E136 L139 F186 L194 | F132-Y191 AromaticContact CD1-CE2 3.79Å; F132-Y191 HydrophobicContact CD1-CE2 3.79Å; F132-Y191 HydrophobicContact CE1-CE2 4.22Å; F132-Y191 PolarHBondContact O-OH 3.03Å; Y135-Y191 VanDerWaalsContact CB-CD2 3.46Å; Y135-Y191 VanDerWaalsContact CB-CE2 3.41Å; Y135-Y191 HydrophobicContact CD2-CD2 4.1Å; Y135-Y191 HydrophobicContact CD2-CE2 4.31Å; Y135-Y191 AromaticContact CG-CD2 3.96Å; Y135-Y191 HydrophobicContact CG-CD2 3.96Å; Y135-Y191 HydrophobicContact CG-CE2 4.24Å; Y135-Y191 HydrophobicContact CG-CG 4.34Å; E136-Y191 PolarHBondContact N-OH 3.06Å; L139-Y191 HydrophobicContact CD2-CD1 4.24Å; L139-Y191 HydrophobicContact CD2-CE1 4.15Å; F186-Y191 HydrophobicContact CD1-CD2 4.48Å; F186-Y191 WeakPolarHBondContact O-CA 3.49Å; F186-Y191 VanDerWaalsContact O-CB 3.3Å; F186-Y191 WeakPolarHBondContact O-CB 3.36Å; F186-Y191 PolarHBondContact O-N 2.98Å; Y191-L194 HydrophobicContact CD1-CD2 3.78Å; Y191-L194 HydrophobicContact CG-CD2 4.02Å; Y191-L194 WeakPolarHBondContact O-CB 3.39Å; Y191-L194 PolarHBondContact O-N 2.98Å |
| 192 | P | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 140.3 | 179.1 | 26.8 | -34.5 | 0 | 0 | 0 | 111.2 | R37 W38 N41 H187 H190 L194 | R37-P192 HydrophobicContact CB-CG 4.48Å; W38-P192 HydrophobicContact CD2-CG 3.89Å; W38-P192 HydrophobicContact CE3-CG 3.8Å; W38-P192 HydrophobicContact CH2-CG 3.99Å; W38-P192 HydrophobicContact CZ2-CG 4.08Å; W38-P192 HydrophobicContact CZ3-CG 3.84Å; N41-P192 HydrophobicContact CB-CB 3.47Å; N41-P192 VanDerWaalsContact CB-CB 3.47Å; N41-P192 HydrophobicContact CB-CG 4.36Å; N41-P192 VanDerWaalsContact CG-CB 3.48Å; H187-P192 WeakPolarHBondContact O-CA 3.39Å; H190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-L194 PolarHBondContact O-N 3.1Å |
| 193 | E | 92.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 15.1 Ų | 15.1 | 6% | 0.061 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 7.1 | 178.4 | -56.2 | -61.2 | 111.4 | 0 | 0 | 116.2 | R37 I40 K44 R152 R225 | R37-E193 HydrophobicContact CB-CB 4.19Å; R37-E193 HydrophobicContact CG-CB 4Å; I40-E193 HydrophobicContact CB-CG 4.31Å; I40-E193 HydrophobicContact CG2-CG 3.88Å; K44-E193 IonicContact NZ-OE1 3.56Å; K44-E193 PolarHBondContact NZ-OE1 3.14Å; K44-E193 IonicContact NZ-OE2 2.85Å; K44-E193 PolarHBondContact NZ-OE2 3.47Å; R152-E193 VanDerWaalsContact NH2-CB 3.27Å; R152-E193 IonicContact NH2-OE2 2.85Å; E193-R225 IonicContact OE1-CZ 3.62Å; E193-R225 IonicContact OE1-NH1 3.91Å; E193-R225 PolarHBondContact OE1-NH1 2.85Å; E193-R225 IonicContact OE1-NH2 3.37Å; E193-R225 PolarHBondContact OE1-NH2 3.03Å |
| 194 | L | 97.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -55.2 | 178.5 | 179.3 | 63.9 | 0 | 0 | 0 | 110.6 | Y135 M138 L139 I142 V155 Y191 P192 | Y135-L194 HydrophobicContact CD1-CD2 4.25Å; Y135-L194 WeakPolarHBondContact O-CD2 3.44Å; M138-L194 HydrophobicContact CB-CD2 4.27Å; L139-L194 HydrophobicContact CB-CD1 4.2Å; L139-L194 HydrophobicContact CB-CD2 4.13Å; L139-L194 HydrophobicContact CD1-CD1 3.93Å; I142-L194 HydrophobicContact CD1-CD1 3.5Å; I142-L194 VanDerWaalsContact CD1-CD1 3.5Å; V155-L194 PolarHBondContact N-O 3.41Å; Y191-L194 HydrophobicContact CD1-CD2 3.78Å; Y191-L194 HydrophobicContact CG-CD2 4.02Å; Y191-L194 WeakPolarHBondContact O-CB 3.39Å; Y191-L194 PolarHBondContact O-N 2.98Å; P192-L194 PolarHBondContact O-N 3.1Å |
| 195 | V | 96.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 110.9 | 176.6 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | Y135 M138 V155 A157 I198 | Y135-V195 HydrophobicContact CD1-CG2 4.1Å; Y135-V195 HydrophobicContact CE1-CG2 3.77Å; M138-V195 HydrophobicContact SD-CG2 4.24Å; V155-V195 HydrophobicContact CB-CB 4.36Å; V155-V195 HydrophobicContact CB-CG1 4.22Å; V155-V195 HydrophobicContact CB-CG2 4.04Å; V155-V195 HydrophobicContact CG1-CG1 4.24Å; V155-V195 HydrophobicContact CG1-CG2 4.45Å; V155-V195 HydrophobicContact CG2-CG2 4.44Å; V155-V195 CarbonylContact O-C 3.53Å; V155-V195 WeakPolarHBondContact O-CA 3.36Å; A157-V195 HydrophobicContact CB-CG1 3.57Å; V195-I198 HydrophobicContact CB-CG1 4.44Å; V195-I198 HydrophobicContact CG1-CD1 4.3Å; V195-I198 HydrophobicContact CG1-CG1 3.68Å |
| 196 | N | 92.8 | Very high | 91.5 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 21% | 0.209 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 118.4 | -177.3 | -170.7 | 17.7 | 0 | 0 | 0 | 110.7 | V155 | V155-N196 PolarHBondContact O-N 3.47Å |
| 197 | P | 95.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -81.7 | 170.8 | -4.4 | 35.2 | -37.2 | 0 | 0 | 0 | 113.6 | Y156 A157 | Y156-P197 HydrophobicContact CD2-CG 3.91Å; Y156-P197 HydrophobicContact CE2-CG 3.57Å; A157-P197 PolarHBondContact N-O 3.47Å |
| 198 | I | 96.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 103.4 | 167.3 | -59.1 | 165.6 | 0 | 0 | 0 | 107.3 | A157 I159 H187 V195 R225 F226 R227 | A157-I198 HydrophobicContact CB-CG1 4.25Å; I159-I198 HydrophobicContact CD1-CG2 3.66Å; I159-I198 HydrophobicContact CG1-CG2 4.41Å; H187-I198 VanDerWaalsContact CE1-CD1 3.42Å; H187-I198 WeakPolarHBondContact CE1-CD1 3.41Å; V195-I198 HydrophobicContact CB-CG1 4.44Å; V195-I198 HydrophobicContact CG1-CD1 4.3Å; V195-I198 HydrophobicContact CG1-CG1 3.68Å; I198-R225 PolarHBondContact N-O 3.42Å; I198-F226 HydrophobicContact CB-CD1 4.3Å; I198-F226 HydrophobicContact CD1-CD1 3.89Å; I198-F226 HydrophobicContact CD1-CE1 3.46Å; I198-F226 VanDerWaalsContact CD1-CE1 3.46Å; I198-F226 HydrophobicContact CD1-CE2 4.33Å; I198-F226 HydrophobicContact CD1-CG 4.5Å; I198-F226 HydrophobicContact CD1-CZ 3.72Å; I198-F226 HydrophobicContact CG2-CD1 4.32Å; I198-R227 PolarHBondContact O-N 3.14Å |
| 199 | N | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.9 | -179.6 | -60.5 | -70.6 | 0 | 0 | 0 | 110.2 | Y156 A157 V158 I159 R227 L229 | Y156-N199 WeakPolarHBondContact CE1-ND2 3.31Å; Y156-N199 PolarHBondContact OH-ND2 3.13Å; Y156-N199 VanDerWaalsContact OH-ND2 3.07Å; A157-N199 WeakPolarHBondContact O-CB 3.32Å; A157-N199 PolarHBondContact O-N 3.02Å; A157-N199 PolarHBondContact O-ND2 3.14Å; V158-N199 CarbonylContact C-O 3.42Å; V158-N199 WeakPolarHBondContact CA-O 3.5Å; I159-N199 PolarHBondContact N-O 3.23Å; N199-R227 WeakPolarHBondContact OD1-CD 3.45Å; N199-L229 HydrophobicContact CB-CD1 3.92Å; N199-L229 HydrophobicContact CB-CG 4.43Å |
| 200 | M | 92 | Very high | 88.7 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 19% | 0.192 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.4 | 171.4 | -62.8 | 175.4 | -175.7 | 0 | 0 | 108.3 | I159 L161 F226 R227 I228 L229 | I159-M200 WeakPolarHBondContact O-CA 3.37Å; L161-M200 HydrophobicContact CD1-CB 3.94Å; L161-M200 HydrophobicContact CD1-CG 4.18Å; L161-M200 HydrophobicContact CD1-SD 4.27Å; M200-F226 HydrophobicContact CE-CD1 4.02Å; M200-R227 PolarHBondContact N-O 3.03Å; M200-I228 HydrophobicContact CB-CG1 4.43Å; M200-I228 HydrophobicContact SD-CG1 4.26Å; M200-L229 PolarHBondContact O-N 3.49Å |
| 201 | I | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 159.7 | -179.6 | 66.9 | 172.3 | 0 | 0 | 0 | 110.4 | W107 V158 I159 D160 L161 A203 L229 F233 I237 | W107-I201 HydrophobicContact CH2-CD1 4.03Å; W107-I201 HydrophobicContact CZ2-CD1 3.71Å; V158-I201 HydrophobicContact CG1-CD1 3.71Å; V158-I201 HydrophobicContact CG1-CG1 4.14Å; V158-I201 HydrophobicContact CG1-CG2 4.22Å; I159-I201 PolarHBondContact O-N 2.89Å; D160-I201 HydrophobicContact CB-CD1 4.13Å; D160-I201 HydrophobicContact CB-CG1 3.99Å; L161-I201 PolarHBondContact N-O 2.98Å; I201-A203 PolarHBondContact O-N 3.23Å; I201-L229 HydrophobicContact CG2-CB 4.38Å; I201-L229 HydrophobicContact CG2-CD1 4.11Å; I201-F233 HydrophobicContact CB-CB 4.43Å; I201-F233 HydrophobicContact CB-CD1 4.07Å; I201-F233 HydrophobicContact CB-CD2 3.84Å; I201-F233 HydrophobicContact CB-CE1 4.26Å; I201-F233 HydrophobicContact CB-CE2 4.03Å; I201-F233 HydrophobicContact CB-CG 3.85Å; I201-F233 HydrophobicContact CB-CZ 4.21Å; I201-F233 HydrophobicContact CD1-CD2 4.12Å; I201-F233 HydrophobicContact CD1-CE2 3.6Å; I201-F233 HydrophobicContact CD1-CZ 3.97Å; I201-F233 HydrophobicContact CG1-CE2 4.36Å; I201-F233 HydrophobicContact CG2-CB 3.87Å; I201-F233 HydrophobicContact CG2-CD1 4.39Å; I201-F233 HydrophobicContact CG2-CD2 3.53Å; I201-F233 HydrophobicContact CG2-CE2 4.13Å; I201-F233 HydrophobicContact CG2-CG 3.67Å; I201-I237 HydrophobicContact CG2-CD1 3.86Å |
| 202 | N | 85.8 | Confident | 87.3 | Confident | 51 Ų | 51 | 31 Ų | 31 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 49.3 | 27.8 | -175.9 | -58.3 | -44.4 | 0 | 0 | 0 | 113.8 | D160 L161 R162 F233 | D160-N202 VanDerWaalsContact CG-ND2 3.33Å; D160-N202 VanDerWaalsContact OD1-CB 3.3Å; D160-N202 WeakPolarHBondContact OD1-CB 3.28Å; D160-N202 PolarHBondContact OD1-ND2 3.37Å; D160-N202 PolarHBondContact OD2-ND2 3.38Å; L161-N202 CarbonylContact C-O 3.49Å; R162-N202 HydrophobicContact CB-CB 3.88Å; N202-F233 WeakPolarHBondContact OD1-CE1 3.41Å |
| 203 | A | 85.2 | Confident | 86.4 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | trans | -65.6 | 127.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L161 I201 I207 I228 | L161-A203 HydrophobicContact CB-CB 4.46Å; L161-A203 HydrophobicContact CD1-CB 4.04Å; I201-A203 PolarHBondContact O-N 3.23Å; A203-I207 HydrophobicContact CB-CB 4.49Å; A203-I207 HydrophobicContact CB-CG2 4.43Å; A203-I228 HydrophobicContact CB-CG2 3.99Å | ||
| 204 | P | 81 | Confident | 85.8 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | trans | -64.7 | 150.3 | 176.1 | 26.7 | -34.4 | 0 | 0 | 0 | 110.4 | W164 W206 I207 | W164-P204 HydrophobicContact CB-CG 4.33Å; P204-W206 PolarHBondContact O-N 2.98Å; P204-I207 HydrophobicContact CG-CG1 3.84Å; P204-I207 WeakPolarHBondContact O-CB 3.33Å; P204-I207 PolarHBondContact O-N 3.42Å | ||
| 205 | T | 79.5 | Confident | 85.2 | Confident | 131 Ų | 131 | 39.4 Ų | 39.4 | 80% | 0.804 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -55.7 | -30.8 | -171.4 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | I207 S208 | T205-I207 VanDerWaalsContact C-N 3.29Å; T205-I207 PolarHBondContact O-N 2.62Å; T205-S208 WeakPolarHBondContact O-CB 3.38Å; T205-S208 PolarHBondContact O-N 2.86Å; T205-S208 PolarHBondContact O-OG 3.05Å |
| 206 | W | 78.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -65.3 | -25.9 | 179.1 | 73.2 | -99.6 | 0 | 0 | 0 | 113.9 | W164 P165 I166 T170 P204 S208 L209 P210 | W164-W206 AromaticContact CD1-CZ2 3.56Å; P165-W206 WeakPolarHBondContact O-CZ2 3.28Å; I166-W206 VanDerWaalsContact CG1-CD1 3.47Å; I166-W206 HydrophobicContact CG1-CD2 4.27Å; I166-W206 HydrophobicContact CG1-CG 4Å; T170-W206 HydrophobicContact CG2-CH2 3.91Å; T170-W206 HydrophobicContact CG2-CZ3 4.09Å; P204-W206 PolarHBondContact O-N 2.98Å; W206-S208 PolarHBondContact O-N 2.88Å; W206-S208 VanDerWaalsContact O-N 3.16Å; W206-L209 PolarHBondContact O-N 3.22Å; W206-P210 HydrophobicContact CE3-CG 4.15Å; W206-P210 HydrophobicContact CZ3-CG 3.97Å; W206-P210 WeakPolarHBondContact O-CD 3.41Å |
| 207 | I | 81.4 | Confident | 83.4 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.1 | -24.8 | 178.3 | -71.8 | -74.4 | 0 | 0 | 0 | 111.7 | A203 P204 T205 L209 P210 Y211 I228 | A203-I207 HydrophobicContact CB-CB 4.49Å; A203-I207 HydrophobicContact CB-CG2 4.43Å; P204-I207 HydrophobicContact CG-CG1 3.84Å; P204-I207 WeakPolarHBondContact O-CB 3.33Å; P204-I207 PolarHBondContact O-N 3.42Å; T205-I207 VanDerWaalsContact C-N 3.29Å; T205-I207 PolarHBondContact O-N 2.62Å; I207-L209 PolarHBondContact O-N 3.37Å; I207-P210 WeakPolarHBondContact O-CD 3.44Å; I207-Y211 WeakPolarHBondContact O-CB 3.33Å; I207-Y211 PolarHBondContact O-N 3.19Å; I207-I228 HydrophobicContact CG2-CD1 3.82Å |
| 208 | S | 82 | Confident | 82.8 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58 | -29.7 | 177.8 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | T205 W206 R212 | T205-S208 WeakPolarHBondContact O-CB 3.38Å; T205-S208 PolarHBondContact O-N 2.86Å; T205-S208 PolarHBondContact O-OG 3.05Å; W206-S208 PolarHBondContact O-N 2.88Å; W206-S208 VanDerWaalsContact O-N 3.16Å; S208-R212 WeakPolarHBondContact O-CB 3.31Å; S208-R212 VanDerWaalsContact O-CG 3.27Å; S208-R212 WeakPolarHBondContact O-CG 3.24Å; S208-R212 PolarHBondContact O-N 3.27Å; S208-R212 PolarHBondContact O-NE 3.15Å |
| 209 | L | 76.3 | Confident | 82 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.7 | -59.1 | 178.7 | 174.4 | 70.5 | 0 | 0 | 0 | 111.5 | L171 W206 I207 Y211 R212 L213 | L171-L209 HydrophobicContact CD1-CD2 4.5Å; W206-L209 PolarHBondContact O-N 3.22Å; I207-L209 PolarHBondContact O-N 3.37Å; L209-Y211 VanDerWaalsContact C-N 3.26Å; L209-Y211 PolarHBondContact O-N 3.45Å; L209-R212 PolarHBondContact O-N 2.96Å; L209-R212 VanDerWaalsContact O-N 3.13Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CG-CD1 4.45Å; L209-L213 PolarHBondContact O-N 3.19Å; L209-L213 VanDerWaalsContact O-N 3.14Å |
| 210 | P | 74.8 | Confident | 81.3 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.065 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -43.8 | -48.3 | 168.5 | -36.9 | 39.7 | 0 | 0 | 0 | 114.9 | L171 V174 W206 I207 R212 L213 V214 | L171-P210 HydrophobicContact CD1-CG 4.39Å; V174-P210 HydrophobicContact CG1-CB 4.5Å; V174-P210 HydrophobicContact CG2-CB 3.53Å; V174-P210 HydrophobicContact CG2-CG 4.07Å; W206-P210 HydrophobicContact CE3-CG 4.15Å; W206-P210 HydrophobicContact CZ3-CG 3.97Å; W206-P210 WeakPolarHBondContact O-CD 3.41Å; I207-P210 WeakPolarHBondContact O-CD 3.44Å; P210-R212 PolarHBondContact O-N 3.1Å; P210-L213 PolarHBondContact O-N 3.35Å; P210-V214 WeakPolarHBondContact O-CG2 3.21Å; P210-V214 PolarHBondContact O-N 3.05Å |
| 211 | Y | 83.8 | Confident | 81 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | -177.2 | 174.4 | -96.4 | 0 | 0 | 0 | 112.4 | I207 L209 V214 K215 F222 G223 F226 I228 | I207-Y211 WeakPolarHBondContact O-CB 3.33Å; I207-Y211 PolarHBondContact O-N 3.19Å; L209-Y211 VanDerWaalsContact C-N 3.26Å; L209-Y211 PolarHBondContact O-N 3.45Å; Y211-V214 PolarHBondContact O-N 3.46Å; Y211-K215 HydrophobicContact CE1-CD 3.92Å; Y211-K215 WeakPolarHBondContact O-CB 3.27Å; Y211-K215 PolarHBondContact O-N 3.37Å; Y211-F222 HydrophobicContact CD2-CE1 4.04Å; Y211-F222 HydrophobicContact CE2-CD1 4.34Å; Y211-F222 AromaticContact CE2-CE1 3.59Å; Y211-F222 HydrophobicContact CE2-CE1 3.59Å; Y211-F222 HydrophobicContact CE2-CZ 4.35Å; Y211-G223 VanDerWaalsContact OH-CA 3.31Å; Y211-G223 WeakPolarHBondContact OH-CA 3.22Å; Y211-F226 HydrophobicContact CE2-CB 4.25Å; Y211-F226 VanDerWaalsContact CE2-O 3.31Å; Y211-F226 WeakPolarHBondContact CE2-O 3.44Å; Y211-F226 PolarHBondContact OH-O 3.08Å; Y211-I228 VanDerWaalsContact CB-CD1 3.45Å; Y211-I228 HydrophobicContact CD1-CD1 3.72Å; Y211-I228 HydrophobicContact CD2-CD1 3.5Å; Y211-I228 VanDerWaalsContact CD2-CD1 3.5Å; Y211-I228 HydrophobicContact CD2-CG1 3.93Å; Y211-I228 HydrophobicContact CE1-CD1 4.3Å; Y211-I228 HydrophobicContact CE2-CD1 4.13Å; Y211-I228 HydrophobicContact CE2-CG1 4.14Å; Y211-I228 HydrophobicContact CG-CD1 3.26Å; Y211-I228 HydrophobicContact CG-CG1 4.16Å |
| 212 | R | 80.5 | Confident | 80.9 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.5 | -78.3 | -176.3 | -67.1 | 136.7 | -12.9 | 112 | S208 L209 P210 K215 S216 D949 | S208-R212 WeakPolarHBondContact O-CB 3.31Å; S208-R212 VanDerWaalsContact O-CG 3.27Å; S208-R212 WeakPolarHBondContact O-CG 3.24Å; S208-R212 PolarHBondContact O-N 3.27Å; S208-R212 PolarHBondContact O-NE 3.15Å; L209-R212 PolarHBondContact O-N 2.96Å; L209-R212 VanDerWaalsContact O-N 3.13Å; P210-R212 PolarHBondContact O-N 3.1Å; R212-K215 PolarHBondContact O-N 3.08Å; R212-S216 PolarHBondContact O-N 2.6Å; R212-D949 PolarHBondContact NH1-O 2.85Å |
| 213 | L | 76.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 176.6 | -67.9 | 173.7 | 0 | 0 | 0 | 112.3 | V174 L209 P210 S216 | V174-L213 HydrophobicContact CG1-CB 3.66Å; V174-L213 HydrophobicContact CG1-CD1 3.63Å; V174-L213 HydrophobicContact CG1-CG 4.3Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CG-CD1 4.45Å; L209-L213 PolarHBondContact O-N 3.19Å; L209-L213 VanDerWaalsContact O-N 3.14Å; P210-L213 PolarHBondContact O-N 3.35Å; L213-S216 PolarHBondContact O-OG 2.97Å |
| 214 | V | 80.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -51.4 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | M179 P210 Y211 S216 T217 M218 F222 | M179-V214 HydrophobicContact CB-CG2 3.79Å; P210-V214 WeakPolarHBondContact O-CG2 3.21Å; P210-V214 PolarHBondContact O-N 3.05Å; Y211-V214 PolarHBondContact O-N 3.46Å; V214-S216 PolarHBondContact O-N 2.89Å; V214-S216 VanDerWaalsContact O-N 3.14Å; V214-T217 PolarHBondContact O-N 2.79Å; V214-T217 PolarHBondContact O-OG1 2.82Å; V214-M218 HydrophobicContact CG1-CG 3.74Å; V214-M218 VanDerWaalsContact O-CG 3.25Å; V214-M218 WeakPolarHBondContact O-CG 3.42Å; V214-M218 PolarHBondContact O-N 3.35Å; V214-F222 HydrophobicContact CB-CZ 4.41Å; V214-F222 HydrophobicContact CG1-CE1 4.11Å; V214-F222 HydrophobicContact CG1-CE2 3.96Å; V214-F222 HydrophobicContact CG1-CZ 3.5Å |
| 215 | K | 84.1 | Confident | 81.9 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.2 | -34.2 | -176.5 | -179.1 | 174.2 | 177.8 | -174 | 0 | 113.4 | Y211 R212 T217 M218 F222 | Y211-K215 HydrophobicContact CE1-CD 3.92Å; Y211-K215 WeakPolarHBondContact O-CB 3.27Å; Y211-K215 PolarHBondContact O-N 3.37Å; R212-K215 PolarHBondContact O-N 3.08Å; K215-T217 PolarHBondContact O-N 2.8Å; K215-M218 PolarHBondContact O-N 2.92Å; K215-F222 HydrophobicContact CB-CD1 3.78Å; K215-F222 HydrophobicContact CB-CE1 3.93Å; K215-F222 HydrophobicContact CG-CD1 3.91Å |
| 216 | S | 77.5 | Confident | 82.6 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.8 | 178.8 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | R212 L213 V214 | R212-S216 PolarHBondContact O-N 2.6Å; L213-S216 PolarHBondContact O-OG 2.97Å; V214-S216 PolarHBondContact O-N 2.89Å; V214-S216 VanDerWaalsContact O-N 3.14Å |
| 217 | T | 74.6 | Confident | 83.3 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 59% | 0.589 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -6.5 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | S180 V214 K215 | S180-T217 PolarHBondContact OG-OG1 3.43Å; S180-T217 VanDerWaalsContact OG-OG1 3.09Å; V214-T217 PolarHBondContact O-N 2.79Å; V214-T217 PolarHBondContact O-OG1 2.82Å; K215-T217 PolarHBondContact O-N 2.8Å |
| 218 | M | 82.4 | Confident | 83.7 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -100.1 | 163.2 | -173 | -67.1 | -63.2 | -68.8 | 0 | 0 | 112.3 | A183 N184 Y188 V214 K215 F222 | A183-M218 HydrophobicContact CB-CE 3.93Å; N184-M218 HydrophobicContact CB-CE 4.16Å; N184-M218 HydrophobicContact CB-SD 4.42Å; Y188-M218 HydrophobicContact CD2-CE 3.73Å; Y188-M218 HydrophobicContact CE2-CE 3.57Å; V214-M218 HydrophobicContact CG1-CG 3.74Å; V214-M218 VanDerWaalsContact O-CG 3.25Å; V214-M218 WeakPolarHBondContact O-CG 3.42Å; V214-M218 PolarHBondContact O-N 3.35Å; K215-M218 PolarHBondContact O-N 2.92Å; M218-F222 HydrophobicContact CB-CB 3.63Å; M218-F222 HydrophobicContact CB-CD1 4.22Å; M218-F222 HydrophobicContact CB-CD2 3.58Å; M218-F222 HydrophobicContact CB-CE2 4.3Å; M218-F222 HydrophobicContact CB-CG 3.52Å; M218-F222 HydrophobicContact CE-CD2 3.65Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CG-CD2 3.61Å; M218-F222 HydrophobicContact CG-CE2 3.84Å; M218-F222 HydrophobicContact CG-CG 3.99Å; M218-F222 HydrophobicContact CG-CZ 4.39Å; M218-F222 HydrophobicContact SD-CD2 4.47Å |
| 219 | P | 81.2 | Confident | 84.1 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | trans | -57.5 | 158.3 | 174.8 | -25.6 | 36.3 | 0 | 0 | 0 | 113.3 | Y188 D221 F222 | Y188-P219 HydrophobicContact CD1-CG 4.18Å; Y188-P219 HydrophobicContact CE1-CB 4.11Å; Y188-P219 HydrophobicContact CE1-CG 3.84Å; P219-D221 WeakPolarHBondContact CB-OD1 2.93Å; P219-D221 PolarHBondContact O-N 3.36Å; P219-D221 VanDerWaalsContact O-N 3.16Å; P219-F222 WeakPolarHBondContact O-CB 3.4Å; P219-F222 PolarHBondContact O-N 3.03Å | ||
| 220 | K | 79.3 | Confident | 84.3 | Confident | 183 Ų | 183 | 54 Ų | 54 | 80% | 0.796 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.2 | -174.7 | -71.7 | -172.2 | 175.9 | -173.5 | 0 | 113.9 | F222 | K220-F222 PolarHBondContact O-N 3.13Š|
| 221 | D | 85.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.6 | 176.6 | 78.5 | -43.8 | 0 | 0 | 0 | 113 | Y188 P219 G223 S224 R225 | Y188-D221 WeakPolarHBondContact CE1-OD1 3.36Å; Y188-D221 VanDerWaalsContact OH-CG 3.27Å; Y188-D221 PolarHBondContact OH-OD1 3.44Å; Y188-D221 PolarHBondContact OH-OD2 2.67Å; P219-D221 WeakPolarHBondContact CB-OD1 2.93Å; P219-D221 PolarHBondContact O-N 3.36Å; P219-D221 VanDerWaalsContact O-N 3.16Å; D221-G223 PolarHBondContact O-N 2.86Å; D221-G223 VanDerWaalsContact O-N 3.16Å; D221-S224 PolarHBondContact O-N 3.37Å; D221-S224 PolarHBondContact O-OG 2.86Å; D221-R225 PolarHBondContact O-N 2.83Å; D221-R225 IonicContact OD2-CZ 2.99Å; D221-R225 IonicContact OD2-NE 3.62Å; D221-R225 IonicContact OD2-NH2 2.85Å; D221-R225 PolarHBondContact OD2-NH2 3.28Å |
| 222 | F | 89.2 | Confident | 84 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.1 | -43.6 | -178.7 | 178.4 | -96.8 | 0 | 0 | 0 | 112.2 | A183 Y188 Y211 V214 K215 M218 P219 K220 S224 R225 F226 | A183-F222 HydrophobicContact CB-CE2 4.17Å; Y188-F222 HydrophobicContact CE2-CD2 4.4Å; Y188-F222 VanDerWaalsContact OH-CA 3.31Å; Y188-F222 WeakPolarHBondContact OH-CA 3.42Å; Y188-F222 PolarHBondContact OH-N 3.15Å; Y211-F222 HydrophobicContact CD2-CE1 4.04Å; Y211-F222 HydrophobicContact CE2-CD1 4.34Å; Y211-F222 AromaticContact CE2-CE1 3.59Å; Y211-F222 HydrophobicContact CE2-CE1 3.59Å; Y211-F222 HydrophobicContact CE2-CZ 4.35Å; V214-F222 HydrophobicContact CB-CZ 4.41Å; V214-F222 HydrophobicContact CG1-CE1 4.11Å; V214-F222 HydrophobicContact CG1-CE2 3.96Å; V214-F222 HydrophobicContact CG1-CZ 3.5Å; K215-F222 HydrophobicContact CB-CD1 3.78Å; K215-F222 HydrophobicContact CB-CE1 3.93Å; K215-F222 HydrophobicContact CG-CD1 3.91Å; M218-F222 HydrophobicContact CB-CB 3.63Å; M218-F222 HydrophobicContact CB-CD1 4.22Å; M218-F222 HydrophobicContact CB-CD2 3.58Å; M218-F222 HydrophobicContact CB-CE2 4.3Å; M218-F222 HydrophobicContact CB-CG 3.52Å; M218-F222 HydrophobicContact CE-CD2 3.65Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CG-CD2 3.61Å; M218-F222 HydrophobicContact CG-CE2 3.84Å; M218-F222 HydrophobicContact CG-CG 3.99Å; M218-F222 HydrophobicContact CG-CZ 4.39Å; M218-F222 HydrophobicContact SD-CD2 4.47Å; P219-F222 WeakPolarHBondContact O-CB 3.4Å; P219-F222 PolarHBondContact O-N 3.03Å; K220-F222 PolarHBondContact O-N 3.13Å; F222-S224 VanDerWaalsContact C-N 3.34Å; F222-S224 PolarHBondContact O-N 2.82Å; F222-R225 PolarHBondContact O-N 2.78Å; F222-F226 AromaticContact CD2-CD2 3.51Å; F222-F226 HydrophobicContact CD2-CD2 3.51Å; F222-F226 AromaticContact CD2-CE2 3.91Å; F222-F226 HydrophobicContact CD2-CE2 3.91Å; F222-F226 HydrophobicContact CD2-CG 4.3Å; F222-F226 HydrophobicContact CE1-CB 4.23Å; F222-F226 HydrophobicContact CE2-CB 4.19Å; F222-F226 HydrophobicContact CE2-CD1 4.44Å; F222-F226 AromaticContact CE2-CD2 3.3Å; F222-F226 HydrophobicContact CE2-CD2 3.3Å; F222-F226 AromaticContact CE2-CE2 3.65Å; F222-F226 HydrophobicContact CE2-CE2 3.65Å; F222-F226 AromaticContact CE2-CG 3.74Å; F222-F226 HydrophobicContact CE2-CG 3.74Å; F222-F226 HydrophobicContact CE2-CZ 4.34Å; F222-F226 HydrophobicContact CG-CD2 4.31Å; F222-F226 HydrophobicContact CZ-CB 3.96Å; F222-F226 AromaticContact CZ-CD2 3.97Å; F222-F226 HydrophobicContact CZ-CD2 3.97Å; F222-F226 AromaticContact CZ-CG 3.94Å; F222-F226 HydrophobicContact CZ-CG 3.94Å; F222-F226 PolarHBondContact O-N 3.2Å |
| 223 | G | 89.8 | Confident | 84.2 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.8 | -20.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y211 D221 | Y211-G223 VanDerWaalsContact OH-CA 3.31Å; Y211-G223 WeakPolarHBondContact OH-CA 3.22Å; D221-G223 PolarHBondContact O-N 2.86Å; D221-G223 VanDerWaalsContact O-N 3.16Å |
| 224 | S | 90.2 | Very high | 84.4 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -87.6 | -21.5 | 172.4 | 64.1 | 0 | 0 | 0 | 0 | 112 | D221 F222 R227 | D221-S224 PolarHBondContact O-N 3.37Å; D221-S224 PolarHBondContact O-OG 2.86Å; F222-S224 VanDerWaalsContact C-N 3.34Å; F222-S224 PolarHBondContact O-N 2.82Å; S224-R227 WeakPolarHBondContact O-CG 3.3Å; S224-R227 PolarHBondContact O-NE 3.03Å; S224-R227 PolarHBondContact O-NH2 3.13Å |
| 225 | R | 92.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -83.9 | -53.1 | 172.7 | -172 | -176.9 | -56.7 | -88 | -4.3 | 112.2 | E193 I198 D221 F222 | E193-R225 IonicContact OE1-CZ 3.62Å; E193-R225 IonicContact OE1-NH1 3.91Å; E193-R225 PolarHBondContact OE1-NH1 2.85Å; E193-R225 IonicContact OE1-NH2 3.37Å; E193-R225 PolarHBondContact OE1-NH2 3.03Å; I198-R225 PolarHBondContact N-O 3.42Å; D221-R225 PolarHBondContact O-N 2.83Å; D221-R225 IonicContact OD2-CZ 2.99Å; D221-R225 IonicContact OD2-NE 3.62Å; D221-R225 IonicContact OD2-NH2 2.85Å; D221-R225 PolarHBondContact OD2-NH2 3.28Å; F222-R225 PolarHBondContact O-N 2.78Å |
| 226 | F | 94.3 | Very high | 84.7 | Confident | 17 Ų | 17 | 62 Ų | 62 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 94.7 | 177.6 | -67.3 | -97.4 | 0 | 0 | 0 | 109.1 | A183 H187 Y188 I198 M200 Y211 F222 | A183-F226 HydrophobicContact CB-CE2 4.42Å; A183-F226 HydrophobicContact CB-CZ 3.97Å; H187-F226 HydrophobicContact CB-CE2 4.35Å; H187-F226 HydrophobicContact CB-CZ 4.21Å; H187-F226 AromaticContact CD2-CZ 3.46Å; H187-F226 VanDerWaalsContact CD2-CZ 3.46Å; H187-F226 WeakPolarHBondContact CD2-CZ 3.28Å; H187-F226 AromaticContact CG-CZ 3.8Å; Y188-F226 HydrophobicContact CE2-CE2 4.35Å; I198-F226 HydrophobicContact CB-CD1 4.3Å; I198-F226 HydrophobicContact CD1-CD1 3.89Å; I198-F226 HydrophobicContact CD1-CE1 3.46Å; I198-F226 VanDerWaalsContact CD1-CE1 3.46Å; I198-F226 HydrophobicContact CD1-CE2 4.33Å; I198-F226 HydrophobicContact CD1-CG 4.5Å; I198-F226 HydrophobicContact CD1-CZ 3.72Å; I198-F226 HydrophobicContact CG2-CD1 4.32Å; M200-F226 HydrophobicContact CE-CD1 4.02Å; Y211-F226 HydrophobicContact CE2-CB 4.25Å; Y211-F226 VanDerWaalsContact CE2-O 3.31Å; Y211-F226 WeakPolarHBondContact CE2-O 3.44Å; Y211-F226 PolarHBondContact OH-O 3.08Å; F222-F226 AromaticContact CD2-CD2 3.51Å; F222-F226 HydrophobicContact CD2-CD2 3.51Å; F222-F226 AromaticContact CD2-CE2 3.91Å; F222-F226 HydrophobicContact CD2-CE2 3.91Å; F222-F226 HydrophobicContact CD2-CG 4.3Å; F222-F226 HydrophobicContact CE1-CB 4.23Å; F222-F226 HydrophobicContact CE2-CB 4.19Å; F222-F226 HydrophobicContact CE2-CD1 4.44Å; F222-F226 AromaticContact CE2-CD2 3.3Å; F222-F226 HydrophobicContact CE2-CD2 3.3Å; F222-F226 AromaticContact CE2-CE2 3.65Å; F222-F226 HydrophobicContact CE2-CE2 3.65Å; F222-F226 AromaticContact CE2-CG 3.74Å; F222-F226 HydrophobicContact CE2-CG 3.74Å; F222-F226 HydrophobicContact CE2-CZ 4.34Å; F222-F226 HydrophobicContact CG-CD2 4.31Å; F222-F226 HydrophobicContact CZ-CB 3.96Å; F222-F226 AromaticContact CZ-CD2 3.97Å; F222-F226 HydrophobicContact CZ-CD2 3.97Å; F222-F226 AromaticContact CZ-CG 3.94Å; F222-F226 HydrophobicContact CZ-CG 3.94Å; F222-F226 PolarHBondContact O-N 3.2Å |
| 227 | R | 94.1 | Very high | 85.3 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116 | -173.4 | -57.5 | 179.3 | -171.1 | 170.6 | 2.6 | 110 | I198 N199 M200 S224 L229 E240 | I198-R227 PolarHBondContact O-N 3.14Å; N199-R227 WeakPolarHBondContact OD1-CD 3.45Å; M200-R227 PolarHBondContact N-O 3.03Å; S224-R227 WeakPolarHBondContact O-CG 3.3Å; S224-R227 PolarHBondContact O-NE 3.03Å; S224-R227 PolarHBondContact O-NH2 3.13Å; R227-L229 HydrophobicContact CB-CD2 4.02Å; R227-L229 HydrophobicContact CB-CG 4.49Å; R227-L229 PolarHBondContact O-N 3.26Å; R227-E240 IonicContact NH1-OE1 3.63Å; R227-E240 PolarHBondContact NH1-OE1 2.85Å; R227-E240 IonicContact NH1-OE2 3.35Å; R227-E240 PolarHBondContact NH1-OE2 3.43Å |
| 228 | I | 90 | Very high | 85.8 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 30% | 0.297 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.3 | 163.9 | -61 | 177.3 | 0 | 0 | 0 | 107.5 | M200 A203 I207 Y211 | M200-I228 HydrophobicContact CB-CG1 4.43Å; M200-I228 HydrophobicContact SD-CG1 4.26Å; A203-I228 HydrophobicContact CB-CG2 3.99Å; I207-I228 HydrophobicContact CG2-CD1 3.82Å; Y211-I228 VanDerWaalsContact CB-CD1 3.45Å; Y211-I228 HydrophobicContact CD1-CD1 3.72Å; Y211-I228 HydrophobicContact CD2-CD1 3.5Å; Y211-I228 VanDerWaalsContact CD2-CD1 3.5Å; Y211-I228 HydrophobicContact CD2-CG1 3.93Å; Y211-I228 HydrophobicContact CE1-CD1 4.3Å; Y211-I228 HydrophobicContact CE2-CD1 4.13Å; Y211-I228 HydrophobicContact CE2-CG1 4.14Å; Y211-I228 HydrophobicContact CG-CD1 3.26Å; Y211-I228 HydrophobicContact CG-CG1 4.16Å |
| 229 | L | 89.2 | Confident | 86.1 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | trans | -89.4 | 141.2 | 178 | -56.1 | -176.8 | 0 | 0 | 0 | 109.9 | N199 M200 I201 R227 F233 T236 I237 | N199-L229 HydrophobicContact CB-CD1 3.92Å; N199-L229 HydrophobicContact CB-CG 4.43Å; M200-L229 PolarHBondContact O-N 3.49Å; I201-L229 HydrophobicContact CG2-CB 4.38Å; I201-L229 HydrophobicContact CG2-CD1 4.11Å; R227-L229 HydrophobicContact CB-CD2 4.02Å; R227-L229 HydrophobicContact CB-CG 4.49Å; R227-L229 PolarHBondContact O-N 3.26Å; L229-F233 HydrophobicContact CB-CB 3.38Å; L229-F233 HydrophobicContact CD1-CB 3.85Å; L229-F233 HydrophobicContact CG-CB 4.27Å; L229-T236 HydrophobicContact CD1-CG2 4.46Å; L229-T236 HydrophobicContact CD2-CG2 4.27Å; L229-I237 HydrophobicContact CD1-CD1 4.15Å; L229-I237 HydrophobicContact CD1-CG1 3.92Å | ||
| 230 | N | 81.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | trans | -76.3 | -174.8 | -179.8 | 66.5 | 20.3 | 0 | 0 | 0 | 111.7 | R232 F233 | N230-R232 PolarHBondContact O-N 3.26Å; N230-R232 WeakPolarHBondContact OD1-CA 3.27Å; N230-R232 WeakPolarHBondContact OD1-CB 3.47Å; N230-R232 PolarHBondContact OD1-N 2.79Å; N230-F233 WeakPolarHBondContact O-CB 3.28Å; N230-F233 WeakPolarHBondContact O-CD1 3.45Å; N230-F233 PolarHBondContact O-N 3.39Å | ||
| 231 | H | 74.1 | Confident | 86.9 | Confident | 159 Ų | 159 | 54.9 Ų | 54.9 | 74% | 0.736 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.6 | 178.8 | 61.8 | -88.3 | 0 | 0 | 0 | 114.9 | ||
| 232 | R | 78.3 | Confident | 86.9 | Confident | 159 Ų | 159 | 54.7 Ų | 54.7 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 25.8 | 172.9 | -56.9 | -170.1 | -175.2 | 179.6 | -2.6 | 112.7 | N230 A234 D235 | N230-R232 PolarHBondContact O-N 3.26Å; N230-R232 WeakPolarHBondContact OD1-CA 3.27Å; N230-R232 WeakPolarHBondContact OD1-CB 3.47Å; N230-R232 PolarHBondContact OD1-N 2.79Å; R232-A234 PolarHBondContact O-N 3.3Å; R232-A234 VanDerWaalsContact O-N 3.11Å; R232-D235 WeakPolarHBondContact O-CB 3.35Å; R232-D235 PolarHBondContact O-N 3.41Å |
| 233 | F | 84.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.1 | -30.5 | 179.5 | 66.7 | -93.2 | 0 | 0 | 0 | 113 | I201 N202 L229 N230 D235 T236 I237 F250 | I201-F233 HydrophobicContact CB-CB 4.43Å; I201-F233 HydrophobicContact CB-CD1 4.07Å; I201-F233 HydrophobicContact CB-CD2 3.84Å; I201-F233 HydrophobicContact CB-CE1 4.26Å; I201-F233 HydrophobicContact CB-CE2 4.03Å; I201-F233 HydrophobicContact CB-CG 3.85Å; I201-F233 HydrophobicContact CB-CZ 4.21Å; I201-F233 HydrophobicContact CD1-CD2 4.12Å; I201-F233 HydrophobicContact CD1-CE2 3.6Å; I201-F233 HydrophobicContact CD1-CZ 3.97Å; I201-F233 HydrophobicContact CG1-CE2 4.36Å; I201-F233 HydrophobicContact CG2-CB 3.87Å; I201-F233 HydrophobicContact CG2-CD1 4.39Å; I201-F233 HydrophobicContact CG2-CD2 3.53Å; I201-F233 HydrophobicContact CG2-CE2 4.13Å; I201-F233 HydrophobicContact CG2-CG 3.67Å; N202-F233 WeakPolarHBondContact OD1-CE1 3.41Å; L229-F233 HydrophobicContact CB-CB 3.38Å; L229-F233 HydrophobicContact CD1-CB 3.85Å; L229-F233 HydrophobicContact CG-CB 4.27Å; N230-F233 WeakPolarHBondContact O-CB 3.28Å; N230-F233 WeakPolarHBondContact O-CD1 3.45Å; N230-F233 PolarHBondContact O-N 3.39Å; F233-D235 PolarHBondContact O-N 3.29Å; F233-T236 PolarHBondContact O-N 2.94Å; F233-T236 VanDerWaalsContact O-N 3.08Å; F233-I237 HydrophobicContact CD2-CD1 3.93Å; F233-I237 WeakPolarHBondContact O-CG1 3.44Å; F233-I237 PolarHBondContact O-N 3.04Å; F233-F250 HydrophobicContact CE1-CE1 4.5Å; F233-F250 AromaticContact CE2-CD1 3.7Å; F233-F250 HydrophobicContact CE2-CD1 3.7Å; F233-F250 HydrophobicContact CE2-CD2 4.49Å; F233-F250 AromaticContact CE2-CE1 3.84Å; F233-F250 HydrophobicContact CE2-CE1 3.84Å; F233-F250 HydrophobicContact CE2-CG 4.06Å; F233-F250 HydrophobicContact CE2-CZ 4.27Å; F233-F250 AromaticContact CZ-CD1 3.58Å; F233-F250 HydrophobicContact CZ-CD1 3.58Å; F233-F250 AromaticContact CZ-CE1 3.36Å; F233-F250 HydrophobicContact CZ-CE1 3.36Å; F233-F250 HydrophobicContact CZ-CG 4.38Å; F233-F250 AromaticContact CZ-CZ 3.96Å; F233-F250 HydrophobicContact CZ-CZ 3.96Å |
| 234 | A | 81.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R232 T236 I237 S238 F250 | R232-A234 PolarHBondContact O-N 3.3Å; R232-A234 VanDerWaalsContact O-N 3.11Å; A234-T236 PolarHBondContact O-N 2.68Å; A234-I237 PolarHBondContact O-N 3.16Å; A234-S238 WeakPolarHBondContact O-CB 3.14Å; A234-S238 PolarHBondContact O-N 3.45Å; A234-S238 PolarHBondContact O-OG 3.04Å; A234-F250 HydrophobicContact CB-CB 4.47Å |
| 235 | D | 84.3 | Confident | 86 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 177.1 | -64.9 | -23.2 | 0 | 0 | 0 | 111.8 | R232 F233 K239 | R232-D235 WeakPolarHBondContact O-CB 3.35Å; R232-D235 PolarHBondContact O-N 3.41Å; F233-D235 PolarHBondContact O-N 3.29Å; D235-K239 WeakPolarHBondContact O-CD 3.44Å; D235-K239 VanDerWaalsContact O-CG 3.23Å; D235-K239 WeakPolarHBondContact O-CG 3.24Å; D235-K239 PolarHBondContact O-N 2.86Å |
| 236 | T | 86.4 | Confident | 85.4 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71 | -47.7 | 178.1 | -56 | 0 | 0 | 0 | 0 | 110.4 | L229 F233 A234 K239 E240 | L229-T236 HydrophobicContact CD1-CG2 4.46Å; L229-T236 HydrophobicContact CD2-CG2 4.27Å; F233-T236 PolarHBondContact O-N 2.94Å; F233-T236 VanDerWaalsContact O-N 3.08Å; A234-T236 PolarHBondContact O-N 2.68Å; T236-K239 PolarHBondContact O-N 3.47Å; T236-E240 PolarHBondContact O-N 3.2Å |
| 237 | I | 88.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | -178.5 | -60.5 | -176.9 | 0 | 0 | 0 | 110.9 | V158 I201 L229 F233 A234 K239 E240 L241 L246 | V158-I237 HydrophobicContact CG1-CD1 4.15Å; V158-I237 HydrophobicContact CG2-CD1 4.26Å; I201-I237 HydrophobicContact CG2-CD1 3.86Å; L229-I237 HydrophobicContact CD1-CD1 4.15Å; L229-I237 HydrophobicContact CD1-CG1 3.92Å; F233-I237 HydrophobicContact CD2-CD1 3.93Å; F233-I237 WeakPolarHBondContact O-CG1 3.44Å; F233-I237 PolarHBondContact O-N 3.04Å; A234-I237 PolarHBondContact O-N 3.16Å; I237-K239 PolarHBondContact O-N 3.13Å; I237-E240 CarbonylContact O-C 3.59Å; I237-E240 PolarHBondContact O-N 3.45Å; I237-L241 HydrophobicContact CG2-CB 4.22Å; I237-L241 HydrophobicContact CG2-CD1 3.63Å; I237-L241 HydrophobicContact CG2-CG 3.99Å; I237-L241 PolarHBondContact O-N 2.7Å; I237-L246 HydrophobicContact CB-CD2 4.27Å; I237-L246 HydrophobicContact CG2-CD1 4.43Å; I237-L246 HydrophobicContact CG2-CD2 3.37Å; I237-L246 HydrophobicContact CG2-CG 4.29Å |
| 238 | S | 86.5 | Confident | 83.9 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -19.9 | 177.7 | -56 | 0 | 0 | 0 | 0 | 113.8 | A234 L246 | A234-S238 WeakPolarHBondContact O-CB 3.14Å; A234-S238 PolarHBondContact O-N 3.45Å; A234-S238 PolarHBondContact O-OG 3.04Å; S238-L246 WeakPolarHBondContact OG-CD1 3.32Å |
| 239 | K | 87.3 | Confident | 82.9 | Confident | 174 Ų | 174 | 63.2 Ų | 63.2 | 76% | 0.757 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -82 | -24.7 | 170.6 | -72.3 | 169.5 | -173.8 | 173.7 | 0 | 112.6 | D235 T236 I237 | D235-K239 WeakPolarHBondContact O-CD 3.44Å; D235-K239 VanDerWaalsContact O-CG 3.23Å; D235-K239 WeakPolarHBondContact O-CG 3.24Å; D235-K239 PolarHBondContact O-N 2.86Å; T236-K239 PolarHBondContact O-N 3.47Å; I237-K239 PolarHBondContact O-N 3.13Å |
| 240 | E | 88.7 | Confident | 82.2 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -100.1 | -29.3 | -174.9 | -68.3 | -172.8 | -156 | 0 | 0 | 113.1 | R101 Y156 R227 T236 I237 | R101-E240 WeakPolarHBondContact CD-O 3.33Å; R101-E240 PolarHBondContact NE-O 3.5Å; R101-E240 PolarHBondContact NH1-O 2.71Å; Y156-E240 HydrophobicContact CE2-CB 4.28Å; Y156-E240 WeakPolarHBondContact CE2-OE2 3.07Å; Y156-E240 PolarHBondContact OH-OE2 3.36Å; R227-E240 IonicContact NH1-OE1 3.63Å; R227-E240 PolarHBondContact NH1-OE1 2.85Å; R227-E240 IonicContact NH1-OE2 3.35Å; R227-E240 PolarHBondContact NH1-OE2 3.43Å; T236-E240 PolarHBondContact O-N 3.2Å; I237-E240 CarbonylContact O-C 3.59Å; I237-E240 PolarHBondContact O-N 3.45Å |
| 241 | L | 88.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -120.3 | 147.8 | -178.1 | -63.3 | -174 | 0 | 0 | 0 | 111.6 | L98 L105 Y156 I237 A245 | L98-L241 HydrophobicContact CD1-CD2 3.77Å; L105-L241 HydrophobicContact CD1-CD1 3.84Å; Y156-L241 HydrophobicContact CD1-CD1 3.92Å; Y156-L241 HydrophobicContact CD1-CD2 3.98Å; Y156-L241 HydrophobicContact CD1-CG 4.28Å; Y156-L241 HydrophobicContact CD2-CD2 4.21Å; Y156-L241 HydrophobicContact CE1-CD1 3.66Å; Y156-L241 HydrophobicContact CE1-CD2 4.07Å; Y156-L241 HydrophobicContact CE1-CG 3.93Å; Y156-L241 HydrophobicContact CE2-CD2 4.31Å; Y156-L241 HydrophobicContact CG-CD2 4.06Å; I237-L241 HydrophobicContact CG2-CB 4.22Å; I237-L241 HydrophobicContact CG2-CD1 3.63Å; I237-L241 HydrophobicContact CG2-CG 3.99Å; I237-L241 PolarHBondContact O-N 2.7Å; L241-A245 HydrophobicContact CB-CB 4.25Å |
| 242 | P | 86.6 | Confident | 82 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -65.9 | 152.7 | 174.3 | 27.3 | -32.8 | 0 | 0 | 0 | 111.4 | E100 E244 A245 | E100-P242 WeakPolarHBondContact OE2-CB 3.17Å; P242-E244 PolarHBondContact O-N 3.31Å; P242-E244 VanDerWaalsContact O-N 3.12Å; P242-A245 HydrophobicContact CG-CB 3.9Å; P242-A245 WeakPolarHBondContact O-CB 3.25Å; P242-A245 PolarHBondContact O-N 3.21Å | ||
| 243 | P | 83.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -55.6 | -31.3 | 178.3 | -26.2 | 34.6 | 0 | 0 | 0 | 113.7 | A245 L246 G252 T253 | P243-A245 PolarHBondContact O-N 2.78Å; P243-L246 PolarHBondContact O-N 3.49Å; P243-L246 VanDerWaalsContact O-N 3.12Å; P243-G252 CarbonylContact O-C 3.5Å; P243-G252 WeakPolarHBondContact O-CA 3.32Å; P243-T253 HydrophobicContact CB-CG2 4.36Å; P243-T253 PolarHBondContact O-N 3.19Å; P243-T253 PolarHBondContact O-OG1 3.5Å |
| 244 | E | 83 | Confident | 81.7 | Confident | 137 Ų | 137 | 52 Ų | 52 | 64% | 0.64 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.7 | 176.9 | -59.8 | 178.2 | -164.6 | 0 | 0 | 113.8 | P242 T253 N254 | P242-E244 PolarHBondContact O-N 3.31Å; P242-E244 VanDerWaalsContact O-N 3.12Å; E244-T253 VanDerWaalsContact CA-OG1 3.25Å; E244-T253 WeakPolarHBondContact CA-OG1 3.47Å; E244-T253 WeakPolarHBondContact CG-OG1 3.46Å; E244-T253 PolarHBondContact N-OG1 3.37Å; E244-N254 VanDerWaalsContact O-CB 3.23Å; E244-N254 WeakPolarHBondContact O-CB 3.35Å; E244-N254 PolarHBondContact O-ND2 3.33Å |
| 245 | A | 82.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -91.8 | -4.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L98 L105 L241 P242 P243 L257 | L98-A245 HydrophobicContact CD1-CB 3.76Å; L98-A245 HydrophobicContact CD2-CB 3.66Å; L98-A245 HydrophobicContact CG-CB 4.39Å; L105-A245 HydrophobicContact CD2-CB 4.18Å; L105-A245 WeakPolarHBondContact CD2-O 3.33Å; L241-A245 HydrophobicContact CB-CB 4.25Å; P242-A245 HydrophobicContact CG-CB 3.9Å; P242-A245 WeakPolarHBondContact O-CB 3.25Å; P242-A245 PolarHBondContact O-N 3.21Å; P243-A245 PolarHBondContact O-N 2.78Å; A245-L257 WeakPolarHBondContact O-CD1 3.42Å |
| 246 | L | 80.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -106.7 | 138.4 | -175.3 | -77.1 | 169.6 | 0 | 0 | 0 | 111.4 | W107 I237 S238 P243 G252 T253 N254 | W107-L246 HydrophobicContact CH2-CD2 4.44Å; W107-L246 HydrophobicContact CZ3-CD2 4.04Å; I237-L246 HydrophobicContact CB-CD2 4.27Å; I237-L246 HydrophobicContact CG2-CD1 4.43Å; I237-L246 HydrophobicContact CG2-CD2 3.37Å; I237-L246 HydrophobicContact CG2-CG 4.29Å; S238-L246 WeakPolarHBondContact OG-CD1 3.32Å; P243-L246 PolarHBondContact O-N 3.49Å; P243-L246 VanDerWaalsContact O-N 3.12Å; L246-G252 WeakPolarHBondContact O-CA 3.41Å; L246-T253 PolarHBondContact O-N 3.2Å; L246-N254 WeakPolarHBondContact O-CB 3.28Å; L246-N254 PolarHBondContact O-N 3.48Å |
| 247 | P | 77.6 | Confident | 79.1 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -54.6 | 147 | 166.9 | -23.9 | 32.4 | 0 | 0 | 0 | 112 | W107 E249 F250 G252 L257 | W107-P247 HydrophobicContact CH2-CG 3.97Å; W107-P247 HydrophobicContact CZ2-CG 3.93Å; W107-P247 HydrophobicContact CZ3-CG 4.35Å; P247-E249 HydrophobicContact CB-CG 3.75Å; P247-E249 PolarHBondContact O-N 3.3Å; P247-F250 HydrophobicContact CB-CD2 3.81Å; P247-F250 HydrophobicContact CB-CE2 4.28Å; P247-F250 HydrophobicContact CG-CD2 3.66Å; P247-F250 HydrophobicContact CG-CE2 4.03Å; P247-F250 PolarHBondContact O-N 3.34Å; P247-G252 PolarHBondContact O-N 3.23Å; P247-G252 VanDerWaalsContact O-N 3.09Å; P247-L257 HydrophobicContact CB-CB 4.26Å; P247-L257 WeakPolarHBondContact CB-O 3.16Å; P247-L257 HydrophobicContact CG-CB 3.88Å; P247-L257 HydrophobicContact CG-CD1 4.24Å |
| 248 | I | 78 | Confident | 77.4 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 54% | 0.544 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.2 | -35.3 | 175.6 | -63.7 | 173.2 | 0 | 0 | 0 | 111.6 | F250 G251 A255 | I248-F250 PolarHBondContact O-N 2.71Å; I248-G251 PolarHBondContact O-N 3.03Å; I248-G251 VanDerWaalsContact O-N 3.15Å; I248-A255 HydrophobicContact CD1-CB 3.86Å |
| 249 | E | 70.4 | Confident | 75.6 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -63.3 | -21.1 | 178.8 | 58.2 | 174.6 | -162 | 0 | 0 | 114.4 | R162 P247 | R162-E249 IonicContact NH2-OE1 3.41Å; R162-E249 PolarHBondContact NH2-OE1 3.16Å; P247-E249 HydrophobicContact CB-CG 3.75Å; P247-E249 PolarHBondContact O-N 3.3Å |
| 250 | F | 73.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -107.4 | 18.3 | 178.3 | -55.6 | -53.6 | 0 | 0 | 0 | 113 | W107 F233 A234 P247 I248 | W107-F250 AromaticContact CH2-CD2 3.72Å; W107-F250 HydrophobicContact CH2-CD2 3.72Å; W107-F250 AromaticContact CH2-CE2 3.9Å; W107-F250 HydrophobicContact CH2-CE2 3.9Å; W107-F250 AromaticContact CZ2-CD2 3.86Å; W107-F250 HydrophobicContact CZ2-CD2 3.86Å; W107-F250 AromaticContact CZ2-CE2 3.55Å; W107-F250 HydrophobicContact CZ2-CE2 3.55Å; F233-F250 HydrophobicContact CE1-CE1 4.5Å; F233-F250 AromaticContact CE2-CD1 3.7Å; F233-F250 HydrophobicContact CE2-CD1 3.7Å; F233-F250 HydrophobicContact CE2-CD2 4.49Å; F233-F250 AromaticContact CE2-CE1 3.84Å; F233-F250 HydrophobicContact CE2-CE1 3.84Å; F233-F250 HydrophobicContact CE2-CG 4.06Å; F233-F250 HydrophobicContact CE2-CZ 4.27Å; F233-F250 AromaticContact CZ-CD1 3.58Å; F233-F250 HydrophobicContact CZ-CD1 3.58Å; F233-F250 AromaticContact CZ-CE1 3.36Å; F233-F250 HydrophobicContact CZ-CE1 3.36Å; F233-F250 HydrophobicContact CZ-CG 4.38Å; F233-F250 AromaticContact CZ-CZ 3.96Å; F233-F250 HydrophobicContact CZ-CZ 3.96Å; A234-F250 HydrophobicContact CB-CB 4.47Å; P247-F250 HydrophobicContact CB-CD2 3.81Å; P247-F250 HydrophobicContact CB-CE2 4.28Å; P247-F250 HydrophobicContact CG-CD2 3.66Å; P247-F250 HydrophobicContact CG-CE2 4.03Å; P247-F250 PolarHBondContact O-N 3.34Å; I248-F250 PolarHBondContact O-N 2.71Å |
| 251 | G | 71 | Confident | 71.8 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 11.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I248 | I248-G251 PolarHBondContact O-N 3.03Å; I248-G251 VanDerWaalsContact O-N 3.15Å |
| 252 | G | 80 | Confident | 69.9 | Low | 10 Ų | 10 | 65 Ų | 65 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | trans | -86.5 | -174.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P243 L246 P247 | P243-G252 CarbonylContact O-C 3.5Å; P243-G252 WeakPolarHBondContact O-CA 3.32Å; L246-G252 WeakPolarHBondContact O-CA 3.41Å; P247-G252 PolarHBondContact O-N 3.23Å; P247-G252 VanDerWaalsContact O-N 3.09Å | ||
| 253 | T | 80.7 | Confident | 68.2 | Low | 90 Ų | 90 | 67.5 Ų | 67.5 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | trans | -113.4 | -1.2 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | P243 E244 L246 A255 | P243-T253 HydrophobicContact CB-CG2 4.36Å; P243-T253 PolarHBondContact O-N 3.19Å; P243-T253 PolarHBondContact O-OG1 3.5Å; E244-T253 VanDerWaalsContact CA-OG1 3.25Å; E244-T253 WeakPolarHBondContact CA-OG1 3.47Å; E244-T253 WeakPolarHBondContact CG-OG1 3.46Å; E244-T253 PolarHBondContact N-OG1 3.37Å; L246-T253 PolarHBondContact O-N 3.2Å; T253-A255 PolarHBondContact O-N 2.96Å | ||
| 254 | N | 74.4 | Confident | 66.7 | Low | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 102.9 | -176.2 | -158.7 | -44 | 0 | 0 | 0 | 112 | E244 L246 Q256 L257 | E244-N254 VanDerWaalsContact O-CB 3.23Å; E244-N254 WeakPolarHBondContact O-CB 3.35Å; E244-N254 PolarHBondContact O-ND2 3.33Å; L246-N254 WeakPolarHBondContact O-CB 3.28Å; L246-N254 PolarHBondContact O-N 3.48Å; N254-Q256 VanDerWaalsContact C-N 3.34Å; N254-Q256 WeakPolarHBondContact OD1-CA 3.44Å; N254-Q256 VanDerWaalsContact OD1-CB 3.3Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.1Å; N254-Q256 PolarHBondContact OD1-N 2.77Å; N254-L257 HydrophobicContact CB-CB 4.16Å; N254-L257 HydrophobicContact CB-CD1 3.82Å; N254-L257 HydrophobicContact CB-CG 4.02Å; N254-L257 PolarHBondContact OD1-N 3.34Å |
| 255 | A | 70.6 | Confident | 65.3 | Low | 55 Ų | 55 | 62.5 Ų | 62.5 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -78.7 | -13.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I248 T253 R258 | I248-A255 HydrophobicContact CD1-CB 3.86Å; T253-A255 PolarHBondContact O-N 2.96Å; A255-R258 WeakPolarHBondContact O-CG 3.38Å |
| 256 | Q | 65.5 | Low | 63.9 | Low | 162 Ų | 162 | 71.1 Ų | 71.1 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -81.5 | -35.3 | 178.6 | -63.6 | -78.1 | 1.2 | 0 | 0 | 111 | N254 R258 | N254-Q256 VanDerWaalsContact C-N 3.34Å; N254-Q256 WeakPolarHBondContact OD1-CA 3.44Å; N254-Q256 VanDerWaalsContact OD1-CB 3.3Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.1Å; N254-Q256 PolarHBondContact OD1-N 2.77Å; Q256-R258 PolarHBondContact O-N 2.94Å |
| 257 | L | 62.4 | Low | 62.5 | Low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -70.9 | 59.6 | 163.2 | -59.2 | 175 | 0 | 0 | 0 | 109.6 | H94 L105 A245 P247 N254 F260 | H94-L257 HydrophobicContact CB-CD2 3.87Å; H94-L257 WeakPolarHBondContact CD2-CD2 3.47Å; H94-L257 VanDerWaalsContact CG-CD2 3.5Å; L105-L257 HydrophobicContact CD2-CD1 4.49Å; A245-L257 WeakPolarHBondContact O-CD1 3.42Å; P247-L257 HydrophobicContact CB-CB 4.26Å; P247-L257 WeakPolarHBondContact CB-O 3.16Å; P247-L257 HydrophobicContact CG-CB 3.88Å; P247-L257 HydrophobicContact CG-CD1 4.24Å; N254-L257 HydrophobicContact CB-CB 4.16Å; N254-L257 HydrophobicContact CB-CD1 3.82Å; N254-L257 HydrophobicContact CB-CG 4.02Å; N254-L257 PolarHBondContact OD1-N 3.34Å; L257-F260 HydrophobicContact CD2-CE2 4.02Å; L257-F260 HydrophobicContact CD2-CZ 3.54Å |
| 258 | R | 53.5 | Low | 61.3 | Low | 186 Ų | 186 | 76.8 Ų | 76.8 | 70% | 0.702 | 43% | 0.428 | S | S | * | . | trans | -63 | 160.3 | 163.6 | -66.9 | -159.7 | -179.5 | -171.3 | -0.2 | 108 | A255 Q256 F260 | A255-R258 WeakPolarHBondContact O-CG 3.38Å; Q256-R258 PolarHBondContact O-N 2.94Å; R258-F260 PolarHBondContact O-N 2.84Å | ||
| 259 | P | 49 | Very low | 60.1 | Low | 79 Ų | 79 | 75.8 Ų | 75.8 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -51.1 | 103 | 160.5 | 23.2 | -32.7 | 0 | 0 | 0 | 105.1 | T261 | P259-T261 PolarHBondContact O-N 3.2Š|
| 260 | F | 50.8 | Low | 59.2 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 26% | 0.263 | 41% | 0.409 | S | S | . | . | trans | -53.2 | 119.3 | -171.7 | -70.9 | -83.4 | 0 | 0 | 0 | 104 | H94 W107 L257 R258 T262 | H94-F260 HydrophobicContact CB-CE1 3.85Å; H94-F260 HydrophobicContact CB-CE2 4.11Å; H94-F260 HydrophobicContact CB-CZ 3.33Å; H94-F260 AromaticContact CG-CZ 3.98Å; W107-F260 AromaticContact CD1-CE2 3.84Å; W107-F260 HydrophobicContact CG-CE2 4.45Å; L257-F260 HydrophobicContact CD2-CE2 4.02Å; L257-F260 HydrophobicContact CD2-CZ 3.54Å; R258-F260 PolarHBondContact O-N 2.84Å; F260-T262 VanDerWaalsContact O-CA 3.29Å; F260-T262 WeakPolarHBondContact O-CA 3.2Å; F260-T262 PolarHBondContact O-N 3.01Å; F260-T262 PolarHBondContact O-OG1 3.09Å | ||
| 261 | T | 45.4 | Very low | 58.1 | Low | 135 Ų | 135 | 78.4 Ų | 78.4 | 83% | 0.828 | 44% | 0.437 | S | S | * | . | trans | -49.8 | 101.2 | 174.2 | 29.9 | 0 | 0 | 0 | 0 | 105.7 | P259 V263 | P259-T261 PolarHBondContact O-N 3.2Å; T261-V263 PolarHBondContact O-N 3.36Å | ||
| 262 | T | 48.2 | Very low | 57 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 24% | 0.239 | 44% | 0.438 | C | S | . | . | trans | -69.4 | 113.2 | -161.7 | -27.7 | 0 | 0 | 0 | 0 | 103.9 | D109 T112 F260 P264 | D109-T262 HydrophobicContact CB-CG2 4.39Å; D109-T262 VanDerWaalsContact OD2-CG2 3.26Å; D109-T262 WeakPolarHBondContact OD2-CG2 3.34Å; D109-T262 PolarHBondContact OD2-OG1 3.14Å; D109-T262 VanDerWaalsContact OD2-OG1 3.06Å; T112-T262 HydrophobicContact CG2-CG2 3.68Å; T112-T262 WeakPolarHBondContact OG1-CG2 3.29Å; F260-T262 VanDerWaalsContact O-CA 3.29Å; F260-T262 WeakPolarHBondContact O-CA 3.2Å; F260-T262 PolarHBondContact O-N 3.01Å; F260-T262 PolarHBondContact O-OG1 3.09Å; T262-P264 WeakPolarHBondContact O-CD 3.42Å | ||
| 263 | V | 51.7 | Low | 55.2 | Low | 71 Ų | 71 | 87.4 Ų | 87.4 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | trans | -70.7 | 109.2 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 104.7 | R88 T261 S265 | R88-V263 HydrophobicContact CG-CG1 4.23Å; R88-V263 VanDerWaalsContact NH1-CG1 3.26Å; T261-V263 PolarHBondContact O-N 3.36Å; V263-S265 PolarHBondContact O-N 3.5Å | ||
| 264 | P | 50.7 | Low | 53.6 | Low | 87 Ų | 87 | 89.1 Ų | 89.1 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | trans | -59.1 | 142.4 | -179.4 | -16 | 30.2 | 0 | 0 | 0 | 107.4 | T262 R266 | T262-P264 WeakPolarHBondContact O-CD 3.42Å; P264-R266 PolarHBondContact O-N 2.89Å | ||
| 265 | S | 54.9 | Low | 52.2 | Low | 20 Ų | 20 | 89.9 Ų | 89.9 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | trans | -50.7 | 123 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | R88 V263 F267 | R88-S265 WeakPolarHBondContact O-CA 3.44Å; V263-S265 PolarHBondContact O-N 3.5Å; S265-F267 PolarHBondContact O-N 3.2Å; S265-F267 VanDerWaalsContact O-N 3.14Å | ||
| 266 | R | 52.3 | Low | 51 | Low | 181 Ų | 181 | 90.1 Ų | 90.1 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -66 | -13.2 | 179.9 | -84.7 | -167 | -176.9 | -160.8 | 3.1 | 112.4 | P264 G268 | P264-R266 PolarHBondContact O-N 2.89Å; R266-G268 PolarHBondContact O-N 3.22Å; R266-G268 VanDerWaalsContact O-N 3.1Å |
| 267 | F | 51.8 | Low | 49.9 | Very low | 72 Ų | 72 | 85.3 Ų | 85.3 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | trans | -79.3 | 96.9 | 176.6 | -74.1 | -89.9 | 0 | 0 | 0 | 109.3 | D87 L89 A117 S265 | D87-F267 HydrophobicContact CB-CE2 4.36Å; L89-F267 HydrophobicContact CD2-CD2 3.47Å; L89-F267 VanDerWaalsContact CD2-CD2 3.47Å; L89-F267 HydrophobicContact CD2-CE2 3.4Å; L89-F267 VanDerWaalsContact CD2-CE2 3.4Å; L89-F267 HydrophobicContact CD2-CG 4.38Å; L89-F267 HydrophobicContact CD2-CZ 4.27Å; L89-F267 HydrophobicContact CG-CE2 4.42Å; A117-F267 HydrophobicContact CB-CB 4.08Å; A117-F267 WeakPolarHBondContact CB-O 3.34Å; S265-F267 PolarHBondContact O-N 3.2Å; S265-F267 VanDerWaalsContact O-N 3.14Å | ||
| 268 | G | 52.8 | Low | 49.2 | Very low | 53 Ų | 53 | 90.4 Ų | 90.4 | 55% | 0.546 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 155.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R266 P270 | R266-G268 PolarHBondContact O-N 3.22Å; R266-G268 VanDerWaalsContact O-N 3.1Å; G268-P270 VanDerWaalsContact O-N 3.11Å |
| 269 | M | 52.5 | Low | 48.9 | Very low | 84 Ų | 84 | 86.2 Ų | 86.2 | 41% | 0.414 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 125.3 | 169.2 | -71.7 | -72.4 | -79.9 | 0 | 0 | 107.2 | A117 E271 | A117-M269 HydrophobicContact CB-SD 4.49Å; M269-E271 PolarHBondContact O-N 3.34Å; M269-E271 VanDerWaalsContact O-N 3.14Å |
| 270 | P | 51.6 | Low | 48.8 | Very low | 25 Ų | 25 | 85.6 Ų | 85.6 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -52 | 130.2 | 170.1 | 19.9 | -28.7 | 0 | 0 | 0 | 106 | R120 G268 E272 T275 | R120-P270 HydrophobicContact CB-CG 4.1Å; G268-P270 VanDerWaalsContact O-N 3.11Å; P270-E272 PolarHBondContact O-N 2.92Å; P270-E272 VanDerWaalsContact O-N 3.08Å; P270-T275 HydrophobicContact CB-CG2 4.35Å; P270-T275 HydrophobicContact CG-CG2 4.27Å |
| 271 | E | 50.9 | Low | 48.8 | Very low | 150 Ų | 150 | 90.2 Ų | 90.2 | 70% | 0.701 | 47% | 0.471 | S | S | * | . | trans | -42.9 | 127.4 | 175.1 | -72.3 | -173.6 | 171.4 | 0 | 0 | 106.8 | M269 N273 E274 | M269-E271 PolarHBondContact O-N 3.34Å; M269-E271 VanDerWaalsContact O-N 3.14Å; E271-N273 PolarHBondContact O-N 3.4Å; E271-E274 PolarHBondContact O-N 3.39Å | ||
| 272 | E | 48 | Very low | 49 | Very low | 151 Ų | 151 | 85.1 Ų | 85.1 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -50.5 | -18.5 | -166.5 | -65.2 | -171 | 143.7 | 0 | 0 | 113.4 | P270 S276 | P270-E272 PolarHBondContact O-N 2.92Å; P270-E272 VanDerWaalsContact O-N 3.08Å; E272-S276 VanDerWaalsContact O-CB 3.28Å; E272-S276 WeakPolarHBondContact O-CB 3.37Å |
| 273 | N | 41.8 | Very low | 49 | Very low | 113 Ų | 113 | 87.9 Ų | 87.9 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75.1 | -38.7 | 178.1 | -66.9 | -28.3 | 0 | 0 | 0 | 115.2 | E271 C277 | E271-N273 PolarHBondContact O-N 3.4Å; N273-C277 WeakPolarHBondContact O-CA 3.49Å; N273-C277 WeakPolarHBondContact O-CB 3.08Å; N273-C277 PolarHBondContact O-N 2.98Å; N273-C277 PolarHBondContact O-SG 3.15Å |
| 274 | E | 46.4 | Very low | 48.9 | Very low | 127 Ų | 127 | 93 Ų | 93 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.8 | -50.7 | -167.4 | -75.4 | -163.6 | 153.7 | 0 | 0 | 113.7 | E271 C277 Q278 | E271-E274 PolarHBondContact O-N 3.39Å; E274-C277 PolarHBondContact O-N 2.92Å; E274-Q278 WeakPolarHBondContact O-CG 3.4Å; E274-Q278 PolarHBondContact O-N 2.77Å |
| 275 | T | 45.9 | Very low | 48.9 | Very low | 36 Ų | 36 | 92.8 Ų | 92.8 | 22% | 0.221 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.9 | -39.2 | -177.4 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | R120 P270 C277 Q278 R279 | R120-T275 WeakPolarHBondContact O-CG2 3.3Å; P270-T275 HydrophobicContact CB-CG2 4.35Å; P270-T275 HydrophobicContact CG-CG2 4.27Å; T275-C277 VanDerWaalsContact C-N 3.33Å; T275-C277 PolarHBondContact O-N 3.07Å; T275-Q278 PolarHBondContact O-N 3.37Å; T275-R279 PolarHBondContact O-N 2.92Å |
| 276 | S | 44.6 | Very low | 48.7 | Very low | 60 Ų | 60 | 100.5 Ų | 100.5 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 171.6 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | E272 N280 | E272-S276 VanDerWaalsContact O-CB 3.28Å; E272-S276 WeakPolarHBondContact O-CB 3.37Å; S276-N280 WeakPolarHBondContact O-CB 3.43Å; S276-N280 PolarHBondContact O-N 2.87Å; S276-N280 PolarHBondContact O-ND2 3.43Å; S276-N280 VanDerWaalsContact O-ND2 3.11Å |
| 277 | C | 42.6 | Very low | 49.4 | Very low | 60 Ų | 60 | 96.4 Ų | 96.4 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.2 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | N273 E274 T275 K281 | N273-C277 WeakPolarHBondContact O-CA 3.49Å; N273-C277 WeakPolarHBondContact O-CB 3.08Å; N273-C277 PolarHBondContact O-N 2.98Å; N273-C277 PolarHBondContact O-SG 3.15Å; E274-C277 PolarHBondContact O-N 2.92Å; T275-C277 VanDerWaalsContact C-N 3.33Å; T275-C277 PolarHBondContact O-N 3.07Å; C277-K281 VanDerWaalsContact O-CB 3.26Å; C277-K281 WeakPolarHBondContact O-CB 3.45Å; C277-K281 VanDerWaalsContact O-CG 3.26Å; C277-K281 WeakPolarHBondContact O-CG 3.3Å; C277-K281 PolarHBondContact O-N 2.87Å |
| 278 | Q | 48 | Very low | 50.4 | Low | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.4 | -74.6 | -175.7 | 17.9 | 0 | 0 | 111.4 | E274 T275 N280 K281 L282 | E274-Q278 WeakPolarHBondContact O-CG 3.4Å; E274-Q278 PolarHBondContact O-N 2.77Å; T275-Q278 PolarHBondContact O-N 3.37Å; Q278-N280 PolarHBondContact O-N 3.26Å; Q278-K281 PolarHBondContact O-N 3.22Å; Q278-L282 WeakPolarHBondContact O-CB 3.32Å; Q278-L282 PolarHBondContact O-N 3.1Å |
| 279 | R | 47.2 | Very low | 51.6 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 37% | 0.37 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 175.7 | -174.4 | -175.2 | -177.4 | 118.1 | 14.8 | 112 | T275 K281 L282 E283 K363 | T275-R279 PolarHBondContact O-N 2.92Å; R279-K281 VanDerWaalsContact C-N 3.29Å; R279-K281 PolarHBondContact O-N 3.03Å; R279-L282 PolarHBondContact O-N 2.86Å; R279-L282 VanDerWaalsContact O-N 3.14Å; R279-E283 HydrophobicContact CG-CG 4.37Å; R279-E283 IonicContact CZ-OE1 3.96Å; R279-E283 VanDerWaalsContact CZ-OE1 3.25Å; R279-E283 IonicContact NE-OE1 3.41Å; R279-E283 PolarHBondContact NE-OE1 3.07Å; R279-E283 IonicContact NH2-OE1 3.61Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 PolarHBondContact O-N 2.98Å; R279-K363 PolarHBondContact NH1-O 3.15Å |
| 280 | N | 47.4 | Very low | 53 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 35% | 0.353 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -33.8 | 179.4 | -89.9 | -64.9 | 0 | 0 | 0 | 112.8 | S276 Q278 R284 | S276-N280 WeakPolarHBondContact O-CB 3.43Å; S276-N280 PolarHBondContact O-N 2.87Å; S276-N280 PolarHBondContact O-ND2 3.43Å; S276-N280 VanDerWaalsContact O-ND2 3.11Å; Q278-N280 PolarHBondContact O-N 3.26Å; N280-R284 WeakPolarHBondContact O-CB 3.42Å; N280-R284 VanDerWaalsContact O-CD 3.28Å; N280-R284 WeakPolarHBondContact O-CD 3.47Å; N280-R284 WeakPolarHBondContact O-CG 3.1Å; N280-R284 PolarHBondContact O-NE 2.93Å; N280-R284 PolarHBondContact OD1-NH2 3.41Å; N280-R284 VanDerWaalsContact OD1-NH2 3.11Å |
| 281 | K | 49.6 | Very low | 54.5 | Low | 158 Ų | 158 | 99.4 Ų | 99.4 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72 | -37.5 | 173.4 | -80 | 177.6 | 177.4 | 179.2 | 0 | 111.5 | C277 Q278 R279 R284 N285 | C277-K281 VanDerWaalsContact O-CB 3.26Å; C277-K281 WeakPolarHBondContact O-CB 3.45Å; C277-K281 VanDerWaalsContact O-CG 3.26Å; C277-K281 WeakPolarHBondContact O-CG 3.3Å; C277-K281 PolarHBondContact O-N 2.87Å; Q278-K281 PolarHBondContact O-N 3.22Å; R279-K281 VanDerWaalsContact C-N 3.29Å; R279-K281 PolarHBondContact O-N 3.03Å; K281-R284 CarbonylContact O-C 3.53Å; K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 3.16Å |
| 282 | L | 50.2 | Low | 55.7 | Low | 27 Ų | 27 | 93.9 Ų | 93.9 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -76.5 | -48 | -175.4 | -124.7 | 105.2 | 0 | 0 | 0 | 113.3 | Q278 R279 R284 N285 L288 H314 T316 P366 | Q278-L282 WeakPolarHBondContact O-CB 3.32Å; Q278-L282 PolarHBondContact O-N 3.1Å; R279-L282 PolarHBondContact O-N 2.86Å; R279-L282 VanDerWaalsContact O-N 3.14Å; L282-R284 PolarHBondContact O-N 3.37Å; L282-R284 VanDerWaalsContact O-N 3.16Å; L282-N285 VanDerWaalsContact O-CB 3.25Å; L282-N285 WeakPolarHBondContact O-CB 3.48Å; L282-N285 PolarHBondContact O-N 2.75Å; L282-L288 HydrophobicContact CD2-CD1 3.63Å; L282-L288 HydrophobicContact CG-CD1 4.08Å; L282-L288 WeakPolarHBondContact O-CD1 3.46Å; L282-H314 VanDerWaalsContact CD2-NE2 3.26Å; L282-H314 WeakPolarHBondContact CD2-NE2 3.22Å; L282-T316 HydrophobicContact CD2-CG2 4.05Å; L282-P366 HydrophobicContact CD2-CB 4.42Å; L282-P366 HydrophobicContact CD2-CG 4.23Å |
| 283 | E | 49.2 | Very low | 57.2 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 46% | 0.458 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21 | 174.3 | -72.4 | 179 | -177.7 | 0 | 0 | 111.7 | R279 | R279-E283 HydrophobicContact CG-CG 4.37Å; R279-E283 IonicContact CZ-OE1 3.96Å; R279-E283 VanDerWaalsContact CZ-OE1 3.25Å; R279-E283 IonicContact NE-OE1 3.41Å; R279-E283 PolarHBondContact NE-OE1 3.07Å; R279-E283 IonicContact NH2-OE1 3.61Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 PolarHBondContact O-N 2.98Å |
| 284 | R | 48.2 | Very low | 58.9 | Low | 179 Ų | 179 | 83.4 Ų | 83.4 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -7.4 | 171.2 | -69.3 | -178.8 | -134.7 | -165.2 | 1.1 | 113.9 | N280 K281 L282 E286 | N280-R284 WeakPolarHBondContact O-CB 3.42Å; N280-R284 VanDerWaalsContact O-CD 3.28Å; N280-R284 WeakPolarHBondContact O-CD 3.47Å; N280-R284 WeakPolarHBondContact O-CG 3.1Å; N280-R284 PolarHBondContact O-NE 2.93Å; N280-R284 PolarHBondContact OD1-NH2 3.41Å; N280-R284 VanDerWaalsContact OD1-NH2 3.11Å; K281-R284 CarbonylContact O-C 3.53Å; L282-R284 PolarHBondContact O-N 3.37Å; L282-R284 VanDerWaalsContact O-N 3.16Å; R284-E286 PolarHBondContact O-N 2.72Å |
| 285 | N | 50.9 | Low | 59.9 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | trans | -75 | 109.9 | -178.7 | -153.1 | 1.3 | 0 | 0 | 0 | 107.7 | K281 L282 D287 L288 | K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 3.16Å; L282-N285 VanDerWaalsContact O-CB 3.25Å; L282-N285 WeakPolarHBondContact O-CB 3.48Å; L282-N285 PolarHBondContact O-N 2.75Å; N285-D287 PolarHBondContact O-N 3.14Å; N285-L288 PolarHBondContact O-N 3.03Å | ||
| 286 | E | 51.2 | Low | 61.2 | Low | 183 Ų | 183 | 83.1 Ų | 83.1 | 86% | 0.855 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6.9 | -174.5 | -63.4 | -174.3 | 162 | 0 | 0 | 113 | R284 | R284-E286 PolarHBondContact O-N 2.72Š|
| 287 | D | 67 | Low | 62.7 | Low | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | -177.7 | -65.2 | -13.5 | 0 | 0 | 0 | 115.2 | N285 | N285-D287 PolarHBondContact O-N 3.14Š|
| 288 | L | 72.8 | Confident | 64.7 | Low | 27 Ų | 27 | 86 Ų | 86 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 131.4 | 178.4 | -71.2 | 164.9 | 0 | 0 | 0 | 111.4 | L282 N285 K398 | L282-L288 HydrophobicContact CD2-CD1 3.63Å; L282-L288 HydrophobicContact CG-CD1 4.08Å; L282-L288 WeakPolarHBondContact O-CD1 3.46Å; N285-L288 PolarHBondContact O-N 3.03Å; L288-K398 HydrophobicContact CD2-CB 3.77Å |
| 289 | Y | 76.8 | Confident | 66.4 | Low | 159 Ų | 159 | 84.7 Ų | 84.7 | 62% | 0.624 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.7 | 170.8 | -63.5 | -83.9 | 0 | 0 | 0 | 110.1 | Y396 I397 | Y289-Y396 CarbonylContact O-C 3.43Å; Y289-Y396 WeakPolarHBondContact O-CA 3.36Å; Y289-I397 WeakPolarHBondContact CB-O 3.46Å; Y289-I397 PolarHBondContact N-O 2.83Å; Y289-I397 PolarHBondContact O-N 3.44Å |
| 290 | H | 82.7 | Confident | 68.3 | Low | 88 Ų | 88 | 81 Ų | 81 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.6 | 172.2 | -179.9 | -147.5 | 0 | 0 | 0 | 109.5 | H394 Y396 | H290-H394 AromaticContact CE1-ND1 3.32Å; H290-H394 PolarHBondContact CE1-ND1 3.11Å; H290-H394 VanDerWaalsContact CE1-ND1 3.32Å; H290-H394 AromaticContact NE2-CG 3.72Å; H290-H394 AromaticContact NE2-ND1 3.03Å; H290-H394 PolarHBondContact NE2-ND1 2.96Å; H290-Y396 HydrophobicContact CB-CD1 3.78Å; H290-Y396 HydrophobicContact CB-CE1 3.76Å; H290-Y396 AromaticContact CD2-CD1 3.96Å; H290-Y396 AromaticContact CD2-CE1 3.62Å; H290-Y396 AromaticContact CD2-CZ 3.82Å; H290-Y396 AromaticContact CG-CD1 3.94Å; H290-Y396 AromaticContact CG-CE1 3.51Å |
| 291 | I | 82.5 | Confident | 70.2 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.6 | 170.6 | 70.1 | 177.8 | 0 | 0 | 0 | 109.3 | K299 I301 F383 V395 I397 | I291-K299 HydrophobicContact CD1-CG 4.33Å; I291-I301 HydrophobicContact CD1-CD1 4.02Å; I291-F383 HydrophobicContact CD1-CD2 4.04Å; I291-F383 HydrophobicContact CD1-CE2 4.21Å; I291-F383 HydrophobicContact CD1-CG 4.44Å; I291-V395 HydrophobicContact CD1-CB 4.05Å; I291-V395 HydrophobicContact CD1-CG1 4.19Å; I291-V395 HydrophobicContact CG1-CB 3.6Å; I291-V395 HydrophobicContact CG1-CG1 4.16Å; I291-V395 HydrophobicContact CG1-CG2 4.4Å; I291-V395 PolarHBondContact N-O 3.38Å; I291-V395 PolarHBondContact O-N 2.9Å; I291-V395 VanDerWaalsContact O-O 3.09Å; I291-I397 HydrophobicContact CD1-CG2 4.06Å; I291-I397 HydrophobicContact CG1-CG2 4.29Å; I291-I397 HydrophobicContact CG2-CG2 4.24Å |
| 292 | Y | 76.4 | Confident | 72.2 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.5 | 173 | 49.7 | -87.8 | 0 | 0 | 0 | 109.9 | R393 E570 P571 | Y292-R393 CarbonylContact C-O 3.56Å; Y292-R393 VanDerWaalsContact CA-O 3.26Å; Y292-R393 WeakPolarHBondContact CA-O 3.3Å; Y292-E570 PolarHBondContact OH-OE1 2.94Å; Y292-E570 PolarHBondContact OH-OE2 3.02Å; Y292-P571 HydrophobicContact CD1-CB 4.15Å; Y292-P571 HydrophobicContact CE1-CB 3.65Å; Y292-P571 HydrophobicContact CE1-CG 3.88Å; Y292-P571 WeakPolarHBondContact OH-CA 3.35Å |
| 293 | V | 80.8 | Confident | 74.1 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 102.1 | 176.8 | -166.6 | 0 | 0 | 0 | 0 | 107.8 | R297 K299 F383 N385 R392 R393 V395 | V293-R297 WeakPolarHBondContact CG1-O 3.26Å; V293-K299 HydrophobicContact CG2-CB 4Å; V293-F383 HydrophobicContact CG2-CB 3.81Å; V293-N385 HydrophobicContact CB-CB 4.07Å; V293-N385 HydrophobicContact CG1-CB 3.58Å; V293-N385 PolarHBondContact O-ND2 3.06Å; V293-R392 CarbonylContact O-C 3.53Å; V293-R392 WeakPolarHBondContact O-CA 3.32Å; V293-R393 HydrophobicContact CB-CB 4.46Å; V293-R393 PolarHBondContact N-O 2.91Å; V293-R393 PolarHBondContact O-N 3.12Å; V293-V395 HydrophobicContact CG2-CG2 4.37Å |
| 294 | N | 75.8 | Confident | 76 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | trans | -61 | 153.8 | -178.8 | -69.1 | -19.8 | 0 | 0 | 0 | 111.3 | R296 R297 N385 | N294-R296 PolarHBondContact O-N 2.8Å; N294-R297 HydrophobicContact CB-CB 4.15Å; N294-R297 HydrophobicContact CB-CG 3.96Å; N294-R297 WeakPolarHBondContact O-CB 3.35Å; N294-R297 PolarHBondContact O-N 2.98Å; N294-N385 WeakPolarHBondContact O-CB 3.14Å; N294-N385 PolarHBondContact O-ND2 3.26Å | ||
| 295 | A | 69.2 | Low | 78.1 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 137.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R297 S388 W389 | A295-R297 PolarHBondContact O-N 3.29Å; A295-S388 WeakPolarHBondContact CB-O 3.44Å; A295-W389 WeakPolarHBondContact CB-O 3.27Å |
| 296 | R | 71.8 | Confident | 80.1 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 3.9 | -176 | -52.2 | -54.9 | -168.8 | 99 | 4 | 116.3 | N294 N385 R386 S388 W389 | N294-R296 PolarHBondContact O-N 2.8Å; R296-N385 PolarHBondContact N-O 2.75Å; R296-R386 WeakPolarHBondContact CD-O 3.5Å; R296-S388 WeakPolarHBondContact CD-O 3.37Å; R296-S388 WeakPolarHBondContact CG-O 3.37Å; R296-S388 PolarHBondContact N-O 2.9Å; R296-S388 PolarHBondContact NE-O 3.45Å; R296-W389 VanDerWaalsContact NH2-CD2 3.27Å |
| 297 | R | 76.8 | Confident | 82 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | trans | -103.1 | 169.7 | 178.4 | -58.7 | -64.1 | -173.7 | 176.5 | -0.1 | 111.6 | V293 N294 A295 N385 D631 | V293-R297 WeakPolarHBondContact CG1-O 3.26Å; N294-R297 HydrophobicContact CB-CB 4.15Å; N294-R297 HydrophobicContact CB-CG 3.96Å; N294-R297 WeakPolarHBondContact O-CB 3.35Å; N294-R297 PolarHBondContact O-N 2.98Å; A295-R297 PolarHBondContact O-N 3.29Å; R297-N385 PolarHBondContact O-N 2.97Å; R297-D631 IonicContact NH1-OD1 2.63Å | ||
| 298 | R | 83.7 | Confident | 83.1 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.2 | 172.4 | 59.5 | 177.7 | 154.1 | -168.7 | -3.5 | 110.4 | I345 D347 F383 C384 | R298-I345 HydrophobicContact CG-CG2 4.3Å; R298-D347 IonicContact NH1-OD1 3.9Å; R298-F383 CarbonylContact C-O 3.59Å; R298-F383 VanDerWaalsContact CA-O 3.25Å; R298-F383 WeakPolarHBondContact CA-O 3.43Å; R298-C384 HydrophobicContact CB-CB 4.32Å; R298-C384 VanDerWaalsContact CB-SG 3.55Å |
| 299 | K | 84.2 | Confident | 84.1 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130 | 171.2 | -171.1 | 71.1 | 173.5 | -172.8 | 0 | 108.1 | I291 V293 F383 | I291-K299 HydrophobicContact CD1-CG 4.33Å; V293-K299 HydrophobicContact CG2-CB 4Å; K299-F383 HydrophobicContact CB-CB 4.49Å; K299-F383 PolarHBondContact N-O 3.26Å; K299-F383 PolarHBondContact O-N 3.47Å |
| 300 | V | 86.9 | Confident | 85 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.7 | -179.7 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | I345 P346 V348 Y380 L381 T382 | V300-I345 HydrophobicContact CB-CG2 4.5Å; V300-I345 HydrophobicContact CG2-CG2 3.74Å; V300-P346 HydrophobicContact CG1-CG 4.42Å; V300-V348 HydrophobicContact CG2-CG1 4.48Å; V300-Y380 HydrophobicContact CG1-CD1 3.57Å; V300-Y380 HydrophobicContact CG1-CG 4.09Å; V300-L381 CarbonylContact C-O 3.56Å; V300-L381 WeakPolarHBondContact CA-O 3.06Å; V300-T382 HydrophobicContact CG2-CG2 4.32Å |
| 301 | I | 88.2 | Confident | 85.7 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 104.2 | 174.9 | -58.9 | 171.1 | 0 | 0 | 0 | 107.6 | I291 V303 L381 F383 I397 | I291-I301 HydrophobicContact CD1-CD1 4.02Å; I301-V303 HydrophobicContact CG2-CG2 4.21Å; I301-L381 HydrophobicContact CB-CB 4.26Å; I301-L381 PolarHBondContact N-O 2.87Å; I301-L381 PolarHBondContact O-N 2.79Å; I301-F383 HydrophobicContact CD1-CE2 4.26Å; I301-I397 HydrophobicContact CD1-CD1 3.99Å; I301-I397 HydrophobicContact CD1-CG2 4.32Å |
| 302 | P | 90.4 | Very high | 86.3 | Confident | 82 Ų | 82 | 54 Ų | 54 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.2 | 175.4 | 29.9 | -32.8 | 0 | 0 | 0 | 110.7 | T378 Y380 | P302-T378 HydrophobicContact CB-CG2 3.77Å; P302-Y380 HydrophobicContact CB-CD1 3.85Å; P302-Y380 HydrophobicContact CB-CE1 3.69Å |
| 303 | V | 89.9 | Confident | 87.2 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 107.8 | 178.3 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | I301 C305 L311 Y379 L381 V399 V401 | I301-V303 HydrophobicContact CG2-CG2 4.21Å; V303-C305 PolarHBondContact O-N 2.85Å; V303-C305 PolarHBondContact O-SG 2.74Å; V303-L311 HydrophobicContact CB-CD1 4.23Å; V303-L311 HydrophobicContact CG1-CD1 3.81Å; V303-L311 HydrophobicContact CG2-CD1 4.37Å; V303-Y379 PolarHBondContact N-O 3.46Å; V303-Y379 PolarHBondContact O-N 3.49Å; V303-L381 HydrophobicContact CB-CD1 4.48Å; V303-L381 HydrophobicContact CG2-CD1 3.67Å; V303-V399 HydrophobicContact CG2-CG1 3.93Å; V303-V401 HydrophobicContact CG1-CG2 3.42Å; V303-V401 VanDerWaalsContact CG1-CG2 3.42Å |
| 304 | E | 90.9 | Very high | 87.6 | Confident | 149 Ų | 149 | 54.9 Ų | 54.9 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.3 | 175.5 | -64.6 | -178.1 | 178 | 0 | 0 | 110 | F330 | E304-F330 HydrophobicContact CB-CE1 4.42Å; E304-F330 HydrophobicContact CB-CZ 4.36Å; E304-F330 HydrophobicContact CG-CE1 4.16Å |
| 305 | C | 91.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.4 | -177.3 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | V303 C373 A376 G377 Y379 | V303-C305 PolarHBondContact O-N 2.85Å; V303-C305 PolarHBondContact O-SG 2.74Å; C305-C373 HydrophobicContact CB-CB 3.83Å; C305-C373 VanDerWaalsContact CB-SG 3.52Å; C305-C373 VanDerWaalsContact SG-SG 3.65Å; C305-A376 WeakPolarHBondContact O-CA 3.35Å; C305-G377 PolarHBondContact N-O 3.43Å; C305-G377 PolarHBondContact O-N 3.41Å; C305-G377 VanDerWaalsContact O-N 3.12Å; C305-Y379 HydrophobicContact CB-CD2 3.58Å; C305-Y379 HydrophobicContact CB-CE2 3.64Å |
| 306 | K | 91.6 | Very high | 89.4 | Confident | 154 Ų | 154 | 53 Ų | 53 | 67% | 0.67 | 27% | 0.265 | S | S | * | . | trans | -85.1 | 151.4 | 170.9 | -66.9 | -178.9 | -179.5 | 178.2 | 0 | 109.5 | G308 S309 | K306-G308 PolarHBondContact O-N 2.97Å; K306-S309 PolarHBondContact N-OG 2.83Å; K306-S309 WeakPolarHBondContact O-CB 3.34Å; K306-S309 PolarHBondContact O-N 3.12Å; K306-S309 PolarHBondContact O-OG 3.19Å | ||
| 307 | A | 91.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 130.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | C373 A376 | A307-C373 CarbonylContact C-O 3.55Å; A307-C373 WeakPolarHBondContact CA-O 3.26Å; A307-A376 HydrophobicContact CB-CB 4.3Å |
| 308 | G | 90.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 32% | 0.32 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -7.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K306 C373 | K306-G308 PolarHBondContact O-N 2.97Å; G308-C373 PolarHBondContact N-O 2.86Å |
| 309 | S | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 156.9 | 171 | 69 | 0 | 0 | 0 | 0 | 111.4 | K306 C373 R402 | K306-S309 PolarHBondContact N-OG 2.83Å; K306-S309 WeakPolarHBondContact O-CB 3.34Å; K306-S309 PolarHBondContact O-N 3.12Å; K306-S309 PolarHBondContact O-OG 3.19Å; S309-C373 VanDerWaalsContact O-CB 3.28Å; S309-C373 WeakPolarHBondContact O-CB 3.5Å; S309-C373 PolarHBondContact O-N 3.09Å; S309-R402 CarbonylContact C-O 3.57Å; S309-R402 WeakPolarHBondContact CA-O 3.49Å |
| 310 | T | 96.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.2 | 172.1 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | L312 A370 L371 V401 R402 | T310-L312 HydrophobicContact CG2-CD1 4.28Å; T310-L312 HydrophobicContact CG2-CG 4.23Å; T310-L312 WeakPolarHBondContact O-CD1 3.24Å; T310-A370 HydrophobicContact CG2-CB 3.96Å; T310-L371 WeakPolarHBondContact CA-O 3.35Å; T310-V401 WeakPolarHBondContact O-CA 3.4Å; T310-R402 PolarHBondContact N-O 2.89Å; T310-R402 PolarHBondContact O-N 3.49Å |
| 311 | L | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.3 | 170.8 | 174 | 64.4 | 0 | 0 | 0 | 109 | V303 I325 A370 L371 Y379 L381 V399 V401 | V303-L311 HydrophobicContact CB-CD1 4.23Å; V303-L311 HydrophobicContact CG1-CD1 3.81Å; V303-L311 HydrophobicContact CG2-CD1 4.37Å; L311-I325 HydrophobicContact CD2-CD1 4.38Å; L311-I325 HydrophobicContact CD2-CG2 4.44Å; L311-A370 CarbonylContact O-C 3.46Å; L311-A370 VanDerWaalsContact O-CA 3.28Å; L311-A370 WeakPolarHBondContact O-CA 3.32Å; L311-L371 HydrophobicContact CB-CB 4.49Å; L311-L371 PolarHBondContact N-O 2.82Å; L311-L371 PolarHBondContact O-N 2.87Å; L311-Y379 HydrophobicContact CD2-CD1 4.45Å; L311-Y379 HydrophobicContact CD2-CG 4.28Å; L311-L381 HydrophobicContact CD1-CD1 4.42Å; L311-L381 HydrophobicContact CD2-CD1 3.93Å; L311-V399 HydrophobicContact CD1-CG1 3.68Å; L311-V401 HydrophobicContact CD1-CG2 4.01Å |
| 312 | L | 95.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.7 | 177.7 | -53.8 | 99.4 | 0 | 0 | 0 | 109.9 | T310 G369 A370 V399 E400 R402 | T310-L312 HydrophobicContact CG2-CD1 4.28Å; T310-L312 HydrophobicContact CG2-CG 4.23Å; T310-L312 WeakPolarHBondContact O-CD1 3.24Å; L312-G369 WeakPolarHBondContact CA-O 3.04Å; L312-A370 HydrophobicContact CD2-CB 4.48Å; L312-A370 HydrophobicContact CG-CB 4.43Å; L312-V399 WeakPolarHBondContact O-CA 3.38Å; L312-E400 HydrophobicContact CB-CB 4.38Å; L312-E400 HydrophobicContact CD1-CB 4.29Å; L312-E400 PolarHBondContact N-O 2.68Å; L312-E400 PolarHBondContact O-N 2.92Å; L312-R402 HydrophobicContact CD1-CB 4.03Å; L312-R402 HydrophobicContact CD1-CG 3.62Å |
| 313 | W | 94.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.2 | 171.9 | 62.4 | 93.2 | 0 | 0 | 0 | 110.8 | F315 F323 I325 Y355 T368 G369 L371 L381 | W313-F315 AromaticContact CD1-CD1 3.88Å; W313-F315 AromaticContact CD1-CE1 3.69Å; W313-F323 AromaticContact CD1-CZ 3.98Å; W313-F323 HydrophobicContact CD2-CZ 4.38Å; W313-F323 HydrophobicContact CG-CZ 4.22Å; W313-F323 AromaticContact NE1-CE1 3.69Å; W313-F323 AromaticContact NE1-CZ 3.96Å; W313-I325 HydrophobicContact CD2-CD1 4.11Å; W313-I325 HydrophobicContact CE3-CD1 3.65Å; W313-I325 HydrophobicContact CH2-CD1 3.69Å; W313-I325 HydrophobicContact CZ2-CD1 4.14Å; W313-I325 HydrophobicContact CZ3-CD1 3.43Å; W313-I325 VanDerWaalsContact CZ3-CD1 3.43Å; W313-Y355 AromaticContact CH2-CD2 3.97Å; W313-Y355 HydrophobicContact CH2-CD2 3.97Å; W313-Y355 HydrophobicContact CH2-CE2 4.12Å; W313-Y355 HydrophobicContact CH2-CG 4.43Å; W313-Y355 HydrophobicContact CZ2-CD2 4.01Å; W313-Y355 HydrophobicContact CZ2-CE1 4.34Å; W313-Y355 AromaticContact CZ2-CE2 3.78Å; W313-Y355 HydrophobicContact CZ2-CE2 3.78Å; W313-Y355 HydrophobicContact CZ2-CG 4.39Å; W313-Y355 AromaticContact CZ2-CZ 3.95Å; W313-T368 WeakPolarHBondContact O-CA 3.41Å; W313-G369 VanDerWaalsContact CE2-CA 3.44Å; W313-G369 VanDerWaalsContact CZ2-CA 3.5Å; W313-G369 PolarHBondContact N-O 3.05Å; W313-G369 PolarHBondContact O-N 3.12Å; W313-G369 VanDerWaalsContact O-N 3.08Å; W313-L371 HydrophobicContact CH2-CB 4.09Å; W313-L371 HydrophobicContact CZ3-CB 3.67Å; W313-L381 HydrophobicContact CB-CD2 3.94Å |
| 314 | H | 90.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 33.5 Ų | 33.5 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 122.6 | 172.1 | 179.2 | 48.5 | 0 | 0 | 0 | 109.1 | L282 P366 E367 T368 I397 K398 | L282-H314 VanDerWaalsContact CD2-NE2 3.26Å; L282-H314 WeakPolarHBondContact CD2-NE2 3.22Å; H314-P366 VanDerWaalsContact CE1-CB 3.43Å; H314-P366 WeakPolarHBondContact CE1-CB 3.27Å; H314-E367 CarbonylContact C-O 3.59Å; H314-E367 VanDerWaalsContact CA-O 3.24Å; H314-E367 WeakPolarHBondContact CA-O 3.36Å; H314-E367 PolarHBondContact ND1-O 2.67Å; H314-E367 VanDerWaalsContact ND1-O 3.14Å; H314-T368 HydrophobicContact CB-CG2 4.18Å; H314-T368 WeakPolarHBondContact ND1-CG2 3.24Å; H314-I397 CarbonylContact O-C 3.38Å; H314-I397 VanDerWaalsContact O-CA 3.32Å; H314-I397 WeakPolarHBondContact O-CA 3.35Å; H314-K398 PolarHBondContact N-O 3.14Å; H314-K398 PolarHBondContact O-N 3.12Å |
| 315 | F | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 162 | 176.7 | 66.6 | -95.2 | 0 | 0 | 0 | 115.2 | W313 T317 F323 F360 A362 P366 E367 F383 V395 Y396 I397 | W313-F315 AromaticContact CD1-CD1 3.88Å; W313-F315 AromaticContact CD1-CE1 3.69Å; F315-T317 HydrophobicContact CD2-CG2 3.74Å; F315-T317 HydrophobicContact CE2-CG2 3.73Å; F315-F323 AromaticContact CE1-CD1 3.89Å; F315-F323 HydrophobicContact CE1-CD1 3.89Å; F315-F323 AromaticContact CE1-CD2 3.97Å; F315-F323 HydrophobicContact CE1-CD2 3.97Å; F315-F323 AromaticContact CE1-CE1 3.79Å; F315-F323 HydrophobicContact CE1-CE1 3.79Å; F315-F323 AromaticContact CE1-CE2 3.86Å; F315-F323 HydrophobicContact CE1-CE2 3.86Å; F315-F323 AromaticContact CE1-CG 3.97Å; F315-F323 HydrophobicContact CE1-CG 3.97Å; F315-F323 AromaticContact CE1-CZ 3.77Å; F315-F323 HydrophobicContact CE1-CZ 3.77Å; F315-F323 HydrophobicContact CZ-CB 4.12Å; F315-F323 AromaticContact CZ-CD1 3.77Å; F315-F323 HydrophobicContact CZ-CD1 3.77Å; F315-F323 HydrophobicContact CZ-CD2 4Å; F315-F323 HydrophobicContact CZ-CE1 4.16Å; F315-F323 HydrophobicContact CZ-CE2 4.37Å; F315-F323 AromaticContact CZ-CG 3.67Å; F315-F323 HydrophobicContact CZ-CG 3.67Å; F315-F323 HydrophobicContact CZ-CZ 4.44Å; F315-F360 HydrophobicContact CE2-CE2 4.18Å; F315-F360 HydrophobicContact CE2-CZ 4.31Å; F315-F360 HydrophobicContact CZ-CE2 4.13Å; F315-F360 AromaticContact CZ-CZ 3.84Å; F315-F360 HydrophobicContact CZ-CZ 3.84Å; F315-A362 HydrophobicContact CD2-CB 4.24Å; F315-A362 HydrophobicContact CE2-CB 4.1Å; F315-P366 CarbonylContact O-C 3.51Å; F315-P366 WeakPolarHBondContact O-CA 3.49Å; F315-E367 HydrophobicContact CD1-CB 3.98Å; F315-E367 HydrophobicContact CD1-CG 4.17Å; F315-E367 HydrophobicContact CD2-CB 3.93Å; F315-E367 HydrophobicContact CE1-CB 3.74Å; F315-E367 HydrophobicContact CE1-CG 3.5Å; F315-E367 HydrophobicContact CE2-CB 3.67Å; F315-E367 HydrophobicContact CE2-CG 4.08Å; F315-E367 HydrophobicContact CG-CB 4.09Å; F315-E367 HydrophobicContact CZ-CB 3.59Å; F315-E367 HydrophobicContact CZ-CG 3.46Å; F315-E367 VanDerWaalsContact CZ-CG 3.46Å; F315-E367 PolarHBondContact N-O 3.06Å; F315-E367 PolarHBondContact O-N 2.98Å; F315-F383 HydrophobicContact CD1-CE1 4.18Å; F315-F383 HydrophobicContact CD1-CZ 4.02Å; F315-F383 HydrophobicContact CD2-CE1 4.09Å; F315-F383 AromaticContact CE1-CE1 3.98Å; F315-F383 HydrophobicContact CE1-CE1 3.98Å; F315-F383 HydrophobicContact CE1-CZ 4.02Å; F315-F383 AromaticContact CE2-CE1 3.9Å; F315-F383 HydrophobicContact CE2-CE1 3.9Å; F315-F383 HydrophobicContact CG-CE1 4.22Å; F315-F383 HydrophobicContact CG-CZ 4.34Å; F315-F383 AromaticContact CZ-CE1 3.82Å; F315-F383 HydrophobicContact CZ-CE1 3.82Å; F315-F383 HydrophobicContact CZ-CZ 4.33Å; F315-V395 HydrophobicContact CB-CG1 4.05Å; F315-V395 HydrophobicContact CD2-CG1 4.05Å; F315-V395 HydrophobicContact CG-CG1 4.26Å; F315-Y396 CarbonylContact C-O 3.55Å; F315-Y396 WeakPolarHBondContact CA-O 3.47Å; F315-Y396 VanDerWaalsContact CB-O 3.24Å; F315-Y396 WeakPolarHBondContact CB-O 3.01Å; F315-I397 HydrophobicContact CB-CB 3.76Å; F315-I397 HydrophobicContact CB-CD1 4.46Å; F315-I397 HydrophobicContact CB-CG1 3.92Å; F315-I397 HydrophobicContact CD1-CD1 4.46Å |
| 316 | T | 90.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 13% | 0.129 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.8 | 167.3 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | L282 A362 P366 V395 Y396 | L282-T316 HydrophobicContact CD2-CG2 4.05Å; T316-A362 WeakPolarHBondContact CA-O 3.31Å; T316-P366 HydrophobicContact CG2-CB 3.66Å; T316-P366 HydrophobicContact CG2-CG 3.74Å; T316-V395 WeakPolarHBondContact O-CA 3.44Å; T316-Y396 PolarHBondContact N-O 3.42Å; T316-Y396 PolarHBondContact O-N 3.33Å |
| 317 | T | 89.3 | Confident | 92.3 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.6 | 174.8 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | F315 N319 L321 A362 K363 H394 V395 | F315-T317 HydrophobicContact CD2-CG2 3.74Å; F315-T317 HydrophobicContact CE2-CG2 3.73Å; T317-N319 WeakPolarHBondContact CB-O 2.99Å; T317-N319 PolarHBondContact OG1-O 3.14Å; T317-L321 HydrophobicContact CG2-CD2 3.8Å; T317-L321 HydrophobicContact CG2-CG 4.47Å; T317-A362 HydrophobicContact CG2-CB 4.25Å; T317-A362 PolarHBondContact N-O 3.2Å; T317-A362 PolarHBondContact OG1-N 2.95Å; T317-K363 WeakPolarHBondContact O-CA 3.28Å; T317-H394 WeakPolarHBondContact CA-O 3.33Å; T317-V395 HydrophobicContact CG2-CG1 4.26Å; T317-V395 HydrophobicContact CG2-CG2 4Å |
| 318 | D | 83.3 | Confident | 92.3 | Very high | 51 Ų | 51 | 19.6 Ų | 19.6 | 27% | 0.273 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -68.5 | -36.7 | 174.8 | 59.4 | -15.4 | 0 | 0 | 0 | 112.8 | K363 H394 | D318-K363 WeakPolarHBondContact O-CD 3.32Å; D318-H394 HydrophobicContact CB-CB 4.2Å; D318-H394 PolarHBondContact N-O 3.39Å; D318-H394 VanDerWaalsContact N-O 3.14Å; D318-H394 PolarHBondContact OD1-N 2.75Å; D318-H394 IonicContact OD2-CD2 3.52Å; D318-H394 PolarHBondContact OD2-CD2 2.87Å; D318-H394 IonicContact OD2-CG 3.4Å; D318-H394 PolarHBondContact OD2-N 3.08Å; D318-H394 VanDerWaalsContact OD2-N 3.09Å |
| 319 | N | 84.9 | Confident | 92.2 | Very high | 59 Ų | 59 | 21 Ų | 21 | 32% | 0.316 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -152.4 | -178.4 | -179.4 | -155.8 | -17.3 | 0 | 0 | 0 | 110.9 | T317 | T317-N319 WeakPolarHBondContact CB-O 2.99Å; T317-N319 PolarHBondContact OG1-O 3.14Å |
| 320 | A | 87 | Confident | 91.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -71.1 | 137.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q178 F360 A361 R393 | Q178-A320 HydrophobicContact CG-CB 4.43Å; A320-F360 VanDerWaalsContact CA-O 3.29Å; A320-F360 WeakPolarHBondContact CA-O 3.5Å; A320-A361 HydrophobicContact CB-CB 4.18Å; A320-R393 PolarHBondContact O-NE 2.97Å; A320-R393 VanDerWaalsContact O-NE 3.09Å | ||
| 321 | L | 90.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 169.9 | 173.5 | 69.8 | 97.3 | 0 | 0 | 0 | 109.3 | T317 R359 F360 F383 R393 V395 | T317-L321 HydrophobicContact CG2-CD2 3.8Å; T317-L321 HydrophobicContact CG2-CG 4.47Å; L321-R359 WeakPolarHBondContact O-CA 3.35Å; L321-F360 PolarHBondContact N-O 3.47Å; L321-F360 VanDerWaalsContact N-O 3.12Å; L321-F360 PolarHBondContact O-N 3.36Å; L321-F383 HydrophobicContact CD1-CB 3.95Å; L321-F383 HydrophobicContact CD1-CD1 3.65Å; L321-F383 HydrophobicContact CD1-CG 4.3Å; L321-R393 HydrophobicContact CB-CG 4.15Å; L321-R393 HydrophobicContact CD2-CB 3.69Å; L321-R393 HydrophobicContact CD2-CG 4.09Å; L321-V395 HydrophobicContact CD2-CG2 3.65Å |
| 322 | L | 93.4 | Very high | 88.7 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.9 | 178.9 | -73.1 | 147.6 | 0 | 0 | 0 | 111.2 | L357 L358 R359 F383 C384 R386 | L322-L357 HydrophobicContact CB-CD1 4.02Å; L322-L357 HydrophobicContact CB-CG 4.38Å; L322-L357 HydrophobicContact CD2-CG 4.13Å; L322-L358 CarbonylContact C-O 3.59Å; L322-L358 VanDerWaalsContact CA-O 3.32Å; L322-L358 WeakPolarHBondContact CA-O 3.43Å; L322-R359 HydrophobicContact CD2-CB 3.79Å; L322-R359 HydrophobicContact CG-CB 4.01Å; L322-R359 HydrophobicContact CG-CG 4.41Å; L322-F383 CarbonylContact O-C 3.58Å; L322-F383 VanDerWaalsContact O-CA 3.32Å; L322-F383 WeakPolarHBondContact O-CA 3.48Å; L322-C384 HydrophobicContact CB-CB 3.93Å; L322-C384 HydrophobicContact CD1-CB 4.16Å; L322-C384 PolarHBondContact N-O 3.03Å; L322-C384 PolarHBondContact O-N 2.9Å; L322-R386 HydrophobicContact CD1-CB 4.11Å |
| 323 | F | 95.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136 | 173.4 | 171.5 | -103.7 | 0 | 0 | 0 | 111.1 | W313 F315 I325 Y355 L357 L358 F360 L381 T382 F383 | W313-F323 AromaticContact CD1-CZ 3.98Å; W313-F323 HydrophobicContact CD2-CZ 4.38Å; W313-F323 HydrophobicContact CG-CZ 4.22Å; W313-F323 AromaticContact NE1-CE1 3.69Å; W313-F323 AromaticContact NE1-CZ 3.96Å; F315-F323 AromaticContact CE1-CD1 3.89Å; F315-F323 HydrophobicContact CE1-CD1 3.89Å; F315-F323 AromaticContact CE1-CD2 3.97Å; F315-F323 HydrophobicContact CE1-CD2 3.97Å; F315-F323 AromaticContact CE1-CE1 3.79Å; F315-F323 HydrophobicContact CE1-CE1 3.79Å; F315-F323 AromaticContact CE1-CE2 3.86Å; F315-F323 HydrophobicContact CE1-CE2 3.86Å; F315-F323 AromaticContact CE1-CG 3.97Å; F315-F323 HydrophobicContact CE1-CG 3.97Å; F315-F323 AromaticContact CE1-CZ 3.77Å; F315-F323 HydrophobicContact CE1-CZ 3.77Å; F315-F323 HydrophobicContact CZ-CB 4.12Å; F315-F323 AromaticContact CZ-CD1 3.77Å; F315-F323 HydrophobicContact CZ-CD1 3.77Å; F315-F323 HydrophobicContact CZ-CD2 4Å; F315-F323 HydrophobicContact CZ-CE1 4.16Å; F315-F323 HydrophobicContact CZ-CE2 4.37Å; F315-F323 AromaticContact CZ-CG 3.67Å; F315-F323 HydrophobicContact CZ-CG 3.67Å; F315-F323 HydrophobicContact CZ-CZ 4.44Å; F323-I325 HydrophobicContact CE1-CG1 4.47Å; F323-I325 HydrophobicContact CZ-CD1 4.19Å; F323-I325 HydrophobicContact CZ-CG1 3.95Å; F323-Y355 HydrophobicContact CD1-CD1 4.46Å; F323-Y355 HydrophobicContact CD1-CE1 4.15Å; F323-Y355 HydrophobicContact CE1-CD1 4.1Å; F323-Y355 AromaticContact CE1-CE1 3.94Å; F323-Y355 HydrophobicContact CE1-CE1 3.94Å; F323-L357 CarbonylContact O-C 3.31Å; F323-L357 WeakPolarHBondContact O-CA 3.31Å; F323-L358 PolarHBondContact N-O 3.31Å; F323-L358 PolarHBondContact O-N 3.27Å; F323-F360 HydrophobicContact CB-CE1 3.89Å; F323-F360 HydrophobicContact CB-CZ 3.98Å; F323-F360 HydrophobicContact CD1-CE1 4.28Å; F323-F360 HydrophobicContact CD1-CZ 4.04Å; F323-F360 HydrophobicContact CG-CZ 4.39Å; F323-L381 HydrophobicContact CE2-CB 4.18Å; F323-L381 HydrophobicContact CE2-CD2 4.43Å; F323-L381 HydrophobicContact CE2-CG 4.41Å; F323-T382 VanDerWaalsContact CA-O 3.31Å; F323-T382 WeakPolarHBondContact CA-O 3.27Å; F323-F383 HydrophobicContact CB-CD1 4.45Å; F323-F383 HydrophobicContact CB-CE1 4.41Å; F323-F383 AromaticContact CD2-CD1 3.88Å; F323-F383 HydrophobicContact CD2-CD1 3.88Å; F323-F383 HydrophobicContact CD2-CD2 4.31Å; F323-F383 AromaticContact CD2-CE1 3.41Å; F323-F383 HydrophobicContact CD2-CE1 3.41Å; F323-F383 VanDerWaalsContact CD2-CE1 3.41Å; F323-F383 AromaticContact CD2-CE2 3.89Å; F323-F383 HydrophobicContact CD2-CE2 3.89Å; F323-F383 HydrophobicContact CD2-CG 4.28Å; F323-F383 AromaticContact CD2-CZ 3.39Å; F323-F383 HydrophobicContact CD2-CZ 3.39Å; F323-F383 AromaticContact CE2-CE1 3.99Å; F323-F383 HydrophobicContact CE2-CE1 3.99Å; F323-F383 AromaticContact CE2-CE2 3.87Å; F323-F383 HydrophobicContact CE2-CE2 3.87Å; F323-F383 AromaticContact CE2-CZ 3.47Å; F323-F383 HydrophobicContact CE2-CZ 3.47Å; F323-F383 VanDerWaalsContact CE2-CZ 3.47Å; F323-F383 HydrophobicContact CG-CE1 4.16Å; F323-F383 HydrophobicContact CG-CZ 4.47Å |
| 324 | G | 95.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 167.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T382 | G324-T382 PolarHBondContact N-O 2.88Å; G324-T382 VanDerWaalsContact N-O 3.11Å; G324-T382 PolarHBondContact O-N 3.07Å |
| 325 | I | 97.3 | Very high | 82 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.2 | 177.5 | -50.6 | 178.8 | 0 | 0 | 0 | 109 | L311 W313 F323 V354 Y355 L371 Y379 Y380 L381 | L311-I325 HydrophobicContact CD2-CD1 4.38Å; L311-I325 HydrophobicContact CD2-CG2 4.44Å; W313-I325 HydrophobicContact CD2-CD1 4.11Å; W313-I325 HydrophobicContact CE3-CD1 3.65Å; W313-I325 HydrophobicContact CH2-CD1 3.69Å; W313-I325 HydrophobicContact CZ2-CD1 4.14Å; W313-I325 HydrophobicContact CZ3-CD1 3.43Å; W313-I325 VanDerWaalsContact CZ3-CD1 3.43Å; F323-I325 HydrophobicContact CE1-CG1 4.47Å; F323-I325 HydrophobicContact CZ-CD1 4.19Å; F323-I325 HydrophobicContact CZ-CG1 3.95Å; I325-V354 HydrophobicContact CB-CG2 4.14Å; I325-V354 HydrophobicContact CG2-CG2 3.85Å; I325-V354 VanDerWaalsContact O-CG2 3.3Å; I325-V354 WeakPolarHBondContact O-CG2 3.38Å; I325-V354 PolarHBondContact O-N 3.24Å; I325-Y355 HydrophobicContact CD1-CG 4.42Å; I325-Y355 HydrophobicContact CG1-CD1 4.45Å; I325-Y355 HydrophobicContact CG1-CG 4.37Å; I325-Y355 PolarHBondContact N-O 3.25Å; I325-Y355 VanDerWaalsContact N-O 3.16Å; I325-Y355 PolarHBondContact O-N 3.22Å; I325-L371 HydrophobicContact CG2-CD2 4.29Å; I325-Y379 HydrophobicContact CG2-CD1 4.34Å; I325-Y380 WeakPolarHBondContact CA-O 3.48Å; I325-L381 HydrophobicContact CD1-CG 4.31Å; I325-L381 HydrophobicContact CG1-CG 4.26Å |
| 326 | F | 95.1 | Very high | 79.4 | Confident | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.1 | 179.8 | -60.6 | -94 | 0 | 0 | 0 | 110.5 | V348 M351 E352 M353 L357 Y379 Y380 T382 | F326-V348 HydrophobicContact CB-CB 4.23Å; F326-V348 HydrophobicContact CB-CG1 4.33Å; F326-V348 HydrophobicContact CD1-CB 4.22Å; F326-V348 WeakPolarHBondContact CD1-O 3.32Å; F326-V348 HydrophobicContact CD2-CB 3.79Å; F326-V348 HydrophobicContact CD2-CG1 4.08Å; F326-V348 HydrophobicContact CD2-CG2 4.37Å; F326-V348 HydrophobicContact CE2-CB 4.19Å; F326-V348 HydrophobicContact CE2-CG2 4.29Å; F326-V348 HydrophobicContact CG-CB 3.82Å; F326-V348 HydrophobicContact CG-CG1 4.28Å; F326-M351 HydrophobicContact CB-CB 3.83Å; F326-M351 HydrophobicContact CB-SD 4.29Å; F326-M351 HydrophobicContact CD1-CB 4.46Å; F326-E352 CarbonylContact C-O 3.4Å; F326-E352 WeakPolarHBondContact CA-O 3.32Å; F326-M353 HydrophobicContact CD1-CB 4.15Å; F326-M353 HydrophobicContact CE1-CB 3.99Å; F326-M353 HydrophobicContact CE1-CE 4.08Å; F326-M353 HydrophobicContact CE1-CG 4.13Å; F326-M353 HydrophobicContact CZ-CE 4.36Å; F326-L357 HydrophobicContact CE2-CD1 4.41Å; F326-L357 HydrophobicContact CZ-CB 4.28Å; F326-L357 HydrophobicContact CZ-CD2 4.27Å; F326-Y379 CarbonylContact O-C 3.56Å; F326-Y379 WeakPolarHBondContact O-CA 3.33Å; F326-Y380 PolarHBondContact N-O 2.78Å; F326-Y380 VanDerWaalsContact N-O 3.14Å; F326-Y380 PolarHBondContact O-N 2.87Å; F326-T382 HydrophobicContact CE2-CG2 4.26Å |
| 327 | F | 94.8 | Very high | 76.9 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.4 | -177 | 171.9 | -106.9 | 0 | 0 | 0 | 111.3 | D329 E352 V354 Q375 Y379 | F327-D329 HydrophobicContact CE1-CB 4.5Å; F327-D329 HydrophobicContact CZ-CB 4.43Å; F327-E352 HydrophobicContact CB-CB 4.44Å; F327-E352 PolarHBondContact N-O 3.07Å; F327-E352 PolarHBondContact O-N 3.28Å; F327-V354 HydrophobicContact CB-CB 4.45Å; F327-V354 HydrophobicContact CB-CG1 3.53Å; F327-V354 HydrophobicContact CB-CG2 4.02Å; F327-V354 HydrophobicContact CG-CG1 4.41Å; F327-Q375 HydrophobicContact CE1-CB 3.94Å; F327-Q375 VanDerWaalsContact CE1-OE1 3.25Å; F327-Q375 HydrophobicContact CE2-CB 4.23Å; F327-Q375 HydrophobicContact CZ-CB 3.48Å; F327-Q375 VanDerWaalsContact CZ-CB 3.48Å; F327-Y379 HydrophobicContact CB-CD1 4.33Å; F327-Y379 HydrophobicContact CB-CE1 4.23Å; F327-Y379 HydrophobicContact CD2-CD1 4.07Å; F327-Y379 AromaticContact CD2-CD2 3.86Å; F327-Y379 HydrophobicContact CD2-CD2 3.86Å; F327-Y379 AromaticContact CD2-CE1 3.7Å; F327-Y379 HydrophobicContact CD2-CE1 3.7Å; F327-Y379 AromaticContact CD2-CE2 3.44Å; F327-Y379 HydrophobicContact CD2-CE2 3.44Å; F327-Y379 VanDerWaalsContact CD2-CE2 3.44Å; F327-Y379 HydrophobicContact CD2-CG 4.15Å; F327-Y379 AromaticContact CD2-CZ 3.35Å; F327-Y379 HydrophobicContact CE2-CD2 4.28Å; F327-Y379 HydrophobicContact CE2-CE1 4.47Å; F327-Y379 AromaticContact CE2-CE2 3.57Å; F327-Y379 HydrophobicContact CE2-CE2 3.57Å; F327-Y379 AromaticContact CE2-CZ 3.69Å; F327-Y379 HydrophobicContact CG-CE1 4.22Å |
| 328 | Q | 90.6 | Very high | 74.5 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 129.3 | 170.4 | -168.7 | 176 | 9.8 | 0 | 0 | 109.9 | A332 M351 G377 T378 Y380 | Q328-A332 HydrophobicContact CG-CB 3.75Å; Q328-M351 HydrophobicContact CB-CG 4.39Å; Q328-M351 HydrophobicContact CB-SD 4.37Å; Q328-G377 WeakPolarHBondContact O-CA 3.33Å; Q328-T378 PolarHBondContact N-O 3.42Å; Q328-T378 PolarHBondContact O-N 2.89Å; Q328-Y380 HydrophobicContact CB-CE2 3.87Å |
| 329 | D | 87.5 | Confident | 72.1 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 144.7 | 173.1 | -168.1 | -57.8 | 0 | 0 | 0 | 110.5 | F327 N331 A332 | F327-D329 HydrophobicContact CE1-CB 4.5Å; F327-D329 HydrophobicContact CZ-CB 4.43Å; D329-N331 PolarHBondContact O-N 2.68Å; D329-N331 WeakPolarHBondContact OD1-CB 3.36Å; D329-N331 PolarHBondContact OD1-N 2.89Å; D329-N331 PolarHBondContact OD1-ND2 3Å; D329-A332 VanDerWaalsContact O-CB 3.31Å; D329-A332 WeakPolarHBondContact O-CB 3.47Å; D329-A332 PolarHBondContact O-N 2.94Å; D329-A332 VanDerWaalsContact O-N 3.08Å |
| 330 | F | 80.4 | Confident | 69.7 | Low | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.5 | 175.7 | -65.6 | -53.9 | 0 | 0 | 0 | 113.7 | E304 A376 G377 | E304-F330 HydrophobicContact CB-CE1 4.42Å; E304-F330 HydrophobicContact CB-CZ 4.36Å; E304-F330 HydrophobicContact CG-CE1 4.16Å; F330-A376 HydrophobicContact CD2-CB 4.22Å; F330-A376 HydrophobicContact CE2-CB 3.87Å; F330-G377 VanDerWaalsContact CE2-CA 3.45Å; F330-G377 VanDerWaalsContact CZ-CA 3.41Å |
| 331 | N | 70.4 | Confident | 67.1 | Low | 146 Ų | 146 | 75.4 Ų | 75.4 | 78% | 0.781 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.6 | 180 | -60.1 | -52.5 | 0 | 0 | 0 | 113.3 | D329 A333 | D329-N331 PolarHBondContact O-N 2.68Å; D329-N331 WeakPolarHBondContact OD1-CB 3.36Å; D329-N331 PolarHBondContact OD1-N 2.89Å; D329-N331 PolarHBondContact OD1-ND2 3Å; N331-A333 PolarHBondContact O-N 3.41Å; N331-A333 VanDerWaalsContact O-N 3.15Å |
| 332 | A | 63.2 | Low | 64.3 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 35% | 0.347 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -60.3 | 122 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q328 D329 A334 | Q328-A332 HydrophobicContact CG-CB 3.75Å; D329-A332 VanDerWaalsContact O-CB 3.31Å; D329-A332 WeakPolarHBondContact O-CB 3.47Å; D329-A332 PolarHBondContact O-N 2.94Å; D329-A332 VanDerWaalsContact O-N 3.08Å; A332-A334 PolarHBondContact O-N 2.97Å |
| 333 | A | 52 | Low | 61.6 | Low | 92 Ų | 92 | 87 Ų | 87 | 76% | 0.76 | 46% | 0.463 | S | S | * | . | trans | -46 | 113.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N331 | N331-A333 PolarHBondContact O-N 3.41Å; N331-A333 VanDerWaalsContact O-N 3.15Å | ||
| 334 | A | 46.9 | Very low | 59.1 | Low | 84 Ų | 84 | 90.9 Ų | 90.9 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | trans | -55.9 | 131.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | A332 S336 | A332-A334 PolarHBondContact O-N 2.97Å; A334-S336 PolarHBondContact O-N 3.26Å | ||
| 335 | P | 41.1 | Very low | 56.8 | Low | 105 Ų | 105 | 93.7 Ų | 93.7 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | trans | -49.6 | 139.9 | 175.4 | 14.3 | -24.6 | 0 | 0 | 0 | 109.5 | R337 | P335-R337 PolarHBondContact O-N 2.88Š| ||
| 336 | S | 38.8 | Very low | 55 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | trans | -43 | 133.7 | -173 | 36.1 | 0 | 0 | 0 | 0 | 112.4 | A334 E338 D339 | A334-S336 PolarHBondContact O-N 3.26Å; S336-E338 PolarHBondContact O-N 3.04Å; S336-D339 PolarHBondContact O-N 3.26Å; S336-D339 VanDerWaalsContact O-N 3.15Å | ||
| 337 | R | 37.3 | Very low | 53.8 | Low | 226 Ų | 226 | 97 Ų | 97 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -52.3 | -12.5 | -173.4 | -91.8 | -177.8 | 174.1 | 175.1 | -1.4 | 116.5 | P335 D339 S340 | P335-R337 PolarHBondContact O-N 2.88Å; R337-D339 PolarHBondContact O-N 3.33Å; R337-S340 WeakPolarHBondContact O-CB 3.18Å; R337-S340 PolarHBondContact O-N 3.3Å; R337-S340 PolarHBondContact O-OG 2.69Å |
| 338 | E | 38.6 | Very low | 52.7 | Low | 188 Ų | 188 | 96.9 Ų | 96.9 | 88% | 0.879 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -65.1 | -20 | 175.3 | -71.4 | -175.3 | 163.9 | 0 | 0 | 112.7 | S336 | S336-E338 PolarHBondContact O-N 3.04Š|
| 339 | D | 33.9 | Very low | 51.8 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -96.4 | 12.9 | 175.1 | -64.7 | -33.8 | 0 | 0 | 0 | 113.9 | S336 R337 H341 Q342 | S336-D339 PolarHBondContact O-N 3.26Å; S336-D339 VanDerWaalsContact O-N 3.15Å; R337-D339 PolarHBondContact O-N 3.33Å; D339-H341 PolarHBondContact O-N 3.21Å; D339-Q342 PolarHBondContact O-N 2.93Å; D339-Q342 VanDerWaalsContact O-N 3.08Å |
| 340 | S | 34.7 | Very low | 51.4 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 59% | 0.587 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 2.1 | -170.5 | 61.7 | 0 | 0 | 0 | 0 | 116.6 | R337 | R337-S340 WeakPolarHBondContact O-CB 3.18Å; R337-S340 PolarHBondContact O-N 3.3Å; R337-S340 PolarHBondContact O-OG 2.69Å |
| 341 | H | 30.7 | Very low | 51.8 | Low | 167 Ų | 167 | 97.4 Ų | 97.4 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -7.1 | 172.6 | -71 | -60.8 | 0 | 0 | 0 | 114.6 | D339 | D339-H341 PolarHBondContact O-N 3.21Š|
| 342 | Q | 32.5 | Very low | 52.7 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | trans | -96.2 | 115.2 | 173.7 | -82.3 | 171.3 | 1.1 | 0 | 0 | 109.8 | D339 L344 | D339-Q342 PolarHBondContact O-N 2.93Å; D339-Q342 VanDerWaalsContact O-N 3.08Å; Q342-L344 HydrophobicContact CB-CD1 3.64Å; Q342-L344 HydrophobicContact CB-CG 4.28Å; Q342-L344 PolarHBondContact O-N 3.06Å | ||
| 343 | Y | 35.6 | Very low | 54.2 | Low | 180 Ų | 180 | 94.3 Ų | 94.3 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | trans | -68.4 | 62.3 | 167.9 | -67.7 | -98 | 0 | 0 | 0 | 109.7 | I345 F630 | Y343-I345 PolarHBondContact O-N 3.14Å; Y343-F630 VanDerWaalsContact CB-CZ 3.48Å; Y343-F630 HydrophobicContact CD2-CZ 4.49Å; Y343-F630 HydrophobicContact CG-CZ 4.33Å; Y343-F630 WeakPolarHBondContact O-CE1 3.26Å | ||
| 344 | L | 43.4 | Very low | 56.2 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -57 | 127.5 | -179.7 | -85.6 | 117.1 | 0 | 0 | 0 | 110 | Q342 P346 P633 | Q342-L344 HydrophobicContact CB-CD1 3.64Å; Q342-L344 HydrophobicContact CB-CG 4.28Å; Q342-L344 PolarHBondContact O-N 3.06Å; L344-P346 WeakPolarHBondContact O-CD 3.08Å; L344-P633 HydrophobicContact CD2-CG 4.14Å |
| 345 | I | 49 | Very low | 58.6 | Low | 60 Ų | 60 | 88.4 Ų | 88.4 | 31% | 0.308 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 123.8 | 164.1 | -63.8 | 171.7 | 0 | 0 | 0 | 106.2 | R298 V300 Y343 D347 | R298-I345 HydrophobicContact CG-CG2 4.3Å; V300-I345 HydrophobicContact CB-CG2 4.5Å; V300-I345 HydrophobicContact CG2-CG2 3.74Å; Y343-I345 PolarHBondContact O-N 3.14Å; I345-D347 PolarHBondContact O-N 3.3Å |
| 346 | P | 59.1 | Low | 61.1 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 132 | -176.7 | -18.7 | 25.1 | 0 | 0 | 0 | 110.3 | V300 L344 V348 M351 Y380 | V300-P346 HydrophobicContact CG1-CG 4.42Å; L344-P346 WeakPolarHBondContact O-CD 3.08Å; P346-V348 VanDerWaalsContact C-N 3.31Å; P346-V348 PolarHBondContact O-N 3.14Å; P346-M351 HydrophobicContact CB-CE 3.4Å; P346-M351 VanDerWaalsContact CB-CE 3.4Å; P346-Y380 HydrophobicContact CB-CD1 4.14Å; P346-Y380 HydrophobicContact CB-CE1 3.78Å; P346-Y380 HydrophobicContact CG-CD1 3.81Å; P346-Y380 HydrophobicContact CG-CE1 3.39Å |
| 347 | D | 68.7 | Low | 63.8 | Low | 41 Ų | 41 | 81.3 Ų | 81.3 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | trans | -77.6 | 87.9 | 175.6 | -172.6 | 21.4 | 0 | 0 | 0 | 110.5 | R298 I345 G349 H350 Y634 | R298-D347 IonicContact NH1-OD1 3.9Å; I345-D347 PolarHBondContact O-N 3.3Å; D347-G349 PolarHBondContact O-N 2.87Å; D347-G349 VanDerWaalsContact O-N 3.07Å; D347-G349 PolarHBondContact OD1-N 3.09Å; D347-H350 PolarHBondContact O-N 2.98Å; D347-H350 IonicContact OD2-CD2 2.82Å; D347-H350 PolarHBondContact OD2-CD2 3.07Å; D347-H350 IonicContact OD2-NE2 3.21Å; D347-Y634 HydrophobicContact CB-CE2 4.4Å; D347-Y634 WeakPolarHBondContact OD2-CD2 3.48Å; D347-Y634 WeakPolarHBondContact OD2-CE2 3.47Å | ||
| 348 | V | 73.5 | Confident | 66.5 | Low | 8 Ų | 8 | 70.6 Ų | 70.6 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -60.6 | -14.1 | 178.4 | -63 | 0 | 0 | 0 | 0 | 113.8 | V300 F326 P346 H350 M351 T382 | V300-V348 HydrophobicContact CG2-CG1 4.48Å; F326-V348 HydrophobicContact CB-CB 4.23Å; F326-V348 HydrophobicContact CB-CG1 4.33Å; F326-V348 HydrophobicContact CD1-CB 4.22Å; F326-V348 WeakPolarHBondContact CD1-O 3.32Å; F326-V348 HydrophobicContact CD2-CB 3.79Å; F326-V348 HydrophobicContact CD2-CG1 4.08Å; F326-V348 HydrophobicContact CD2-CG2 4.37Å; F326-V348 HydrophobicContact CE2-CB 4.19Å; F326-V348 HydrophobicContact CE2-CG2 4.29Å; F326-V348 HydrophobicContact CG-CB 3.82Å; F326-V348 HydrophobicContact CG-CG1 4.28Å; P346-V348 VanDerWaalsContact C-N 3.31Å; P346-V348 PolarHBondContact O-N 3.14Å; V348-H350 VanDerWaalsContact C-N 3.31Å; V348-H350 PolarHBondContact O-N 3.15Å; V348-M351 HydrophobicContact CB-SD 4.36Å; V348-M351 HydrophobicContact CG1-SD 4.01Å; V348-M351 PolarHBondContact O-N 3.37Å; V348-T382 HydrophobicContact CG2-CG2 4.25Å |
| 349 | G | 71.7 | Confident | 69.1 | Low | 61 Ų | 61 | 63.1 Ų | 63.1 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.1 | -32 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D347 | D347-G349 PolarHBondContact O-N 2.87Å; D347-G349 VanDerWaalsContact O-N 3.07Å; D347-G349 PolarHBondContact OD1-N 3.09Å |
| 350 | H | 77.9 | Confident | 71.8 | Confident | 147 Ų | 147 | 59.1 Ų | 59.1 | 68% | 0.681 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -94.5 | 0.9 | 176.8 | -63.7 | -65.3 | 0 | 0 | 0 | 113.3 | D347 V348 Y634 | D347-H350 PolarHBondContact O-N 2.98Å; D347-H350 IonicContact OD2-CD2 2.82Å; D347-H350 PolarHBondContact OD2-CD2 3.07Å; D347-H350 IonicContact OD2-NE2 3.21Å; V348-H350 VanDerWaalsContact C-N 3.31Å; V348-H350 PolarHBondContact O-N 3.15Å; H350-Y634 AromaticContact NE2-CZ 3.94Å; H350-Y634 PolarHBondContact NE2-OH 3.44Å; H350-Y634 VanDerWaalsContact NE2-OH 3.15Å |
| 351 | M | 88 | Confident | 74.3 | Confident | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -89.5 | 158.5 | 179.3 | -63.5 | -178.4 | -175.5 | 0 | 0 | 110.9 | F326 Q328 P346 V348 M353 Y380 | F326-M351 HydrophobicContact CB-CB 3.83Å; F326-M351 HydrophobicContact CB-SD 4.29Å; F326-M351 HydrophobicContact CD1-CB 4.46Å; Q328-M351 HydrophobicContact CB-CG 4.39Å; Q328-M351 HydrophobicContact CB-SD 4.37Å; P346-M351 HydrophobicContact CB-CE 3.4Å; P346-M351 VanDerWaalsContact CB-CE 3.4Å; V348-M351 HydrophobicContact CB-SD 4.36Å; V348-M351 HydrophobicContact CG1-SD 4.01Å; V348-M351 PolarHBondContact O-N 3.37Å; M351-M353 PolarHBondContact O-N 3.4Å; M351-Y380 HydrophobicContact CE-CD2 4.09Å; M351-Y380 HydrophobicContact CE-CE2 3.75Å; M351-Y380 HydrophobicContact SD-CD2 3.38Å; M351-Y380 WeakPolarHBondContact SD-CD2 3.33Å; M351-Y380 HydrophobicContact SD-CE2 3.59Å; M351-Y380 VanDerWaalsContact SD-CE2 3.59Å; M351-Y380 HydrophobicContact SD-CG 4.05Å |
| 352 | E | 90.9 | Very high | 77.1 | Confident | 104 Ų | 104 | 48 Ų | 48 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.1 | 177.4 | -175.2 | -177.4 | 174.5 | 0 | 0 | 110.4 | F326 F327 V354 | F326-E352 CarbonylContact C-O 3.4Å; F326-E352 WeakPolarHBondContact CA-O 3.32Å; F327-E352 HydrophobicContact CB-CB 4.44Å; F327-E352 PolarHBondContact N-O 3.07Å; F327-E352 PolarHBondContact O-N 3.28Å; E352-V354 HydrophobicContact CG-CG1 4.11Å; E352-V354 PolarHBondContact O-N 2.95Å |
| 353 | M | 94 | Very high | 79.4 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 106.9 | 172.5 | -173.7 | -173.4 | -60.2 | 0 | 0 | 109.9 | H64 F65 A68 F326 M351 L357 | H64-M353 HydrophobicContact CB-CE 4.36Å; H64-M353 HydrophobicContact CB-SD 4.4Å; F65-M353 HydrophobicContact CD2-CE 4.21Å; F65-M353 HydrophobicContact CD2-SD 3.74Å; F65-M353 HydrophobicContact CE2-CE 3.93Å; F65-M353 HydrophobicContact CE2-SD 3.77Å; A68-M353 HydrophobicContact CB-CG 4.27Å; A68-M353 WeakPolarHBondContact CB-O 3.49Å; F326-M353 HydrophobicContact CD1-CB 4.15Å; F326-M353 HydrophobicContact CE1-CB 3.99Å; F326-M353 HydrophobicContact CE1-CE 4.08Å; F326-M353 HydrophobicContact CE1-CG 4.13Å; F326-M353 HydrophobicContact CZ-CE 4.36Å; M351-M353 PolarHBondContact O-N 3.4Å; M353-L357 HydrophobicContact CE-CB 4.33Å |
| 354 | V | 94.7 | Very high | 81.4 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -15 | -179.6 | -66 | 0 | 0 | 0 | 0 | 113.3 | I325 F327 E352 L371 Y379 | I325-V354 HydrophobicContact CB-CG2 4.14Å; I325-V354 HydrophobicContact CG2-CG2 3.85Å; I325-V354 VanDerWaalsContact O-CG2 3.3Å; I325-V354 WeakPolarHBondContact O-CG2 3.38Å; I325-V354 PolarHBondContact O-N 3.24Å; F327-V354 HydrophobicContact CB-CB 4.45Å; F327-V354 HydrophobicContact CB-CG1 3.53Å; F327-V354 HydrophobicContact CB-CG2 4.02Å; F327-V354 HydrophobicContact CG-CG1 4.41Å; E352-V354 HydrophobicContact CG-CG1 4.11Å; E352-V354 PolarHBondContact O-N 2.95Å; V354-L371 HydrophobicContact CB-CD2 4.29Å; V354-L371 HydrophobicContact CG2-CD2 3.77Å; V354-Y379 HydrophobicContact CG2-CD1 4.05Å; V354-Y379 HydrophobicContact CG2-CE1 4.24Å |
| 355 | Y | 95.7 | Very high | 83.3 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 132.1 | 166.5 | -172.7 | -93.1 | 0 | 0 | 0 | 108.9 | W313 F323 I325 | W313-Y355 AromaticContact CH2-CD2 3.97Å; W313-Y355 HydrophobicContact CH2-CD2 3.97Å; W313-Y355 HydrophobicContact CH2-CE2 4.12Å; W313-Y355 HydrophobicContact CH2-CG 4.43Å; W313-Y355 HydrophobicContact CZ2-CD2 4.01Å; W313-Y355 HydrophobicContact CZ2-CE1 4.34Å; W313-Y355 AromaticContact CZ2-CE2 3.78Å; W313-Y355 HydrophobicContact CZ2-CE2 3.78Å; W313-Y355 HydrophobicContact CZ2-CG 4.39Å; W313-Y355 AromaticContact CZ2-CZ 3.95Å; F323-Y355 HydrophobicContact CD1-CD1 4.46Å; F323-Y355 HydrophobicContact CD1-CE1 4.15Å; F323-Y355 HydrophobicContact CE1-CD1 4.1Å; F323-Y355 AromaticContact CE1-CE1 3.94Å; F323-Y355 HydrophobicContact CE1-CE1 3.94Å; I325-Y355 HydrophobicContact CD1-CG 4.42Å; I325-Y355 HydrophobicContact CG1-CD1 4.45Å; I325-Y355 HydrophobicContact CG1-CG 4.37Å; I325-Y355 PolarHBondContact N-O 3.25Å; I325-Y355 VanDerWaalsContact N-O 3.16Å; I325-Y355 PolarHBondContact O-N 3.22Å |
| 356 | P | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.7 | -167.9 | 26.9 | -37.8 | 0 | 0 | 0 | 112.8 | F65 L69 L358 | F65-P356 HydrophobicContact CD1-CB 3.72Å; F65-P356 HydrophobicContact CE1-CB 3.62Å; F65-P356 HydrophobicContact CG-CB 4.35Å; F65-P356 HydrophobicContact CZ-CB 4.17Å; L69-P356 HydrophobicContact CD2-CG 3.85Å; L69-P356 HydrophobicContact CG-CG 4.16Å; P356-L358 HydrophobicContact CB-CD1 4.4Å; P356-L358 HydrophobicContact CB-CG 4.17Å; P356-L358 HydrophobicContact CG-CD1 3.99Å; P356-L358 HydrophobicContact CG-CG 4.29Å; P356-L358 PolarHBondContact O-N 2.91Å; P356-L358 VanDerWaalsContact O-N 3.15Å |
| 357 | L | 94.6 | Very high | 86.7 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 92.6 | 177.7 | -175.6 | 65.6 | 0 | 0 | 0 | 110.7 | F65 L322 F323 F326 M353 | F65-L357 WeakPolarHBondContact CZ-O 3.29Å; L322-L357 HydrophobicContact CB-CD1 4.02Å; L322-L357 HydrophobicContact CB-CG 4.38Å; L322-L357 HydrophobicContact CD2-CG 4.13Å; F323-L357 CarbonylContact O-C 3.31Å; F323-L357 WeakPolarHBondContact O-CA 3.31Å; F326-L357 HydrophobicContact CE2-CD1 4.41Å; F326-L357 HydrophobicContact CZ-CB 4.28Å; F326-L357 HydrophobicContact CZ-CD2 4.27Å; M353-L357 HydrophobicContact CE-CB 4.33Å |
| 358 | L | 95 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.2 | -174.2 | -66.7 | 170.7 | 0 | 0 | 0 | 112.1 | F65 L128 F132 L185 L322 F323 P356 F360 | F65-L358 HydrophobicContact CE1-CD2 3.75Å; F65-L358 HydrophobicContact CE1-CG 4.44Å; F65-L358 HydrophobicContact CZ-CD2 4.45Å; L128-L358 HydrophobicContact CB-CD1 4.16Å; L128-L358 HydrophobicContact CD1-CB 4.17Å; L128-L358 HydrophobicContact CD1-CD1 4.14Å; L128-L358 HydrophobicContact CD1-CD2 4.26Å; L128-L358 HydrophobicContact CD1-CG 4.44Å; F132-L358 HydrophobicContact CE2-CD2 4.12Å; L185-L358 HydrophobicContact CD2-CD2 4.02Å; L322-L358 CarbonylContact C-O 3.59Å; L322-L358 VanDerWaalsContact CA-O 3.32Å; L322-L358 WeakPolarHBondContact CA-O 3.43Å; F323-L358 PolarHBondContact N-O 3.31Å; F323-L358 PolarHBondContact O-N 3.27Å; P356-L358 HydrophobicContact CB-CD1 4.4Å; P356-L358 HydrophobicContact CB-CG 4.17Å; P356-L358 HydrophobicContact CG-CD1 3.99Å; P356-L358 HydrophobicContact CG-CG 4.29Å; P356-L358 PolarHBondContact O-N 2.91Å; P356-L358 VanDerWaalsContact O-N 3.15Å; L358-F360 HydrophobicContact CB-CD1 3.97Å; L358-F360 HydrophobicContact CB-CE1 4.23Å; L358-F360 WeakPolarHBondContact O-CD1 3.29Å |
| 359 | R | 92.3 | Very high | 88.7 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.5 | 173.2 | -173.6 | -170.4 | 175.5 | -107.6 | -4.9 | 110.9 | D176 G177 Q178 Y181 L321 L322 | D176-R359 PolarHBondContact O-NH1 3.16Å; D176-R359 PolarHBondContact O-NH2 2.78Å; G177-R359 PolarHBondContact O-NH1 3.17Å; Q178-R359 PolarHBondContact NE2-O 3.03Å; Q178-R359 PolarHBondContact OE1-O 2.77Å; Y181-R359 HydrophobicContact CD1-CB 3.93Å; Y181-R359 WeakPolarHBondContact CD1-O 3.48Å; Y181-R359 HydrophobicContact CD2-CB 4.18Å; Y181-R359 HydrophobicContact CE1-CB 3.6Å; Y181-R359 WeakPolarHBondContact CE1-O 3.39Å; Y181-R359 HydrophobicContact CE2-CB 3.86Å; Y181-R359 HydrophobicContact CG-CB 4.22Å; Y181-R359 PolarHBondContact OH-N 3.03Å; L321-R359 WeakPolarHBondContact O-CA 3.35Å; L322-R359 HydrophobicContact CD2-CB 3.79Å; L322-R359 HydrophobicContact CG-CB 4.01Å; L322-R359 HydrophobicContact CG-CG 4.41Å |
| 360 | F | 90.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 167.4 | 178.5 | 62 | -84.6 | 0 | 0 | 0 | 111.6 | T125 L128 F315 A320 L321 F323 L358 A362 E367 | T125-F360 HydrophobicContact CG2-CD1 3.81Å; T125-F360 HydrophobicContact CG2-CD2 4.13Å; T125-F360 HydrophobicContact CG2-CE1 3.29Å; T125-F360 HydrophobicContact CG2-CE2 3.64Å; T125-F360 HydrophobicContact CG2-CG 4.21Å; T125-F360 HydrophobicContact CG2-CZ 3.19Å; L128-F360 HydrophobicContact CD1-CB 4.46Å; F315-F360 HydrophobicContact CE2-CE2 4.18Å; F315-F360 HydrophobicContact CE2-CZ 4.31Å; F315-F360 HydrophobicContact CZ-CE2 4.13Å; F315-F360 AromaticContact CZ-CZ 3.84Å; F315-F360 HydrophobicContact CZ-CZ 3.84Å; A320-F360 VanDerWaalsContact CA-O 3.29Å; A320-F360 WeakPolarHBondContact CA-O 3.5Å; L321-F360 PolarHBondContact N-O 3.47Å; L321-F360 VanDerWaalsContact N-O 3.12Å; L321-F360 PolarHBondContact O-N 3.36Å; F323-F360 HydrophobicContact CB-CE1 3.89Å; F323-F360 HydrophobicContact CB-CZ 3.98Å; F323-F360 HydrophobicContact CD1-CE1 4.28Å; F323-F360 HydrophobicContact CD1-CZ 4.04Å; F323-F360 HydrophobicContact CG-CZ 4.39Å; L358-F360 HydrophobicContact CB-CD1 3.97Å; L358-F360 HydrophobicContact CB-CE1 4.23Å; L358-F360 WeakPolarHBondContact O-CD1 3.29Å; F360-A362 HydrophobicContact CE2-CB 4.27Å; F360-E367 HydrophobicContact CE2-CB 4.29Å; F360-E367 HydrophobicContact CE2-CG 4.05Å; F360-E367 HydrophobicContact CZ-CG 4.09Å |
| 361 | A | 87.3 | Confident | 90.6 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | trans | -106.4 | 131 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S124 A320 K363 | S124-A361 PolarHBondContact OG-O 3.42Å; A320-A361 HydrophobicContact CB-CB 4.18Å; A361-K363 VanDerWaalsContact C-N 3.3Å; A361-K363 HydrophobicContact CB-CB 4.37Å; A361-K363 PolarHBondContact O-N 3.08Å | ||
| 362 | A | 88.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -99 | 50.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F315 T316 T317 F360 E367 | F315-A362 HydrophobicContact CD2-CB 4.24Å; F315-A362 HydrophobicContact CE2-CB 4.1Å; T316-A362 WeakPolarHBondContact CA-O 3.31Å; T317-A362 HydrophobicContact CG2-CB 4.25Å; T317-A362 PolarHBondContact N-O 3.2Å; T317-A362 PolarHBondContact OG1-N 2.95Å; F360-A362 HydrophobicContact CE2-CB 4.27Å; A362-E367 HydrophobicContact CB-CB 3.93Å | ||
| 363 | K | 81.7 | Confident | 91.1 | Very high | 93 Ų | 93 | 31.4 Ų | 31.4 | 40% | 0.404 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -87.8 | -40.3 | -172 | -174.5 | 178.4 | -173.3 | 168.6 | 0 | 113.1 | R279 T317 D318 A361 | R279-K363 PolarHBondContact NH1-O 3.15Å; T317-K363 WeakPolarHBondContact O-CA 3.28Å; D318-K363 WeakPolarHBondContact O-CD 3.32Å; A361-K363 VanDerWaalsContact C-N 3.3Å; A361-K363 HydrophobicContact CB-CB 4.37Å; A361-K363 PolarHBondContact O-N 3.08Å |
| 364 | H | 77.4 | Confident | 90.9 | Very high | 83 Ų | 83 | 38 Ų | 38 | 38% | 0.384 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -97.4 | -44.9 | -175.5 | -67.7 | -67.3 | 0 | 0 | 0 | 111.9 | I119 | I119-H364 HydrophobicContact CG2-CB 4.24Å; I119-H364 VanDerWaalsContact CG2-CD2 3.46Å; I119-H364 WeakPolarHBondContact CG2-CD2 3.22Å; I119-H364 WeakPolarHBondContact O-CB 3.49Å |
| 365 | V | 82.8 | Confident | 90.7 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -114.7 | 124 | 173.8 | -175 | 0 | 0 | 0 | 0 | 107.6 | R120 Q122 K123 | R120-V365 VanDerWaalsContact C-CG2 3.44Å; R120-V365 VanDerWaalsContact O-CG2 3.26Å; R120-V365 WeakPolarHBondContact O-CG2 3.4Å; Q122-V365 WeakPolarHBondContact O-CG2 3.44Å; K123-V365 HydrophobicContact CG-CG1 3.72Å |
| 366 | P | 88.4 | Confident | 90.5 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | trans | -58.2 | 140.6 | 173.4 | -24.1 | 33.9 | 0 | 0 | 0 | 111.7 | L282 H314 F315 T316 | L282-P366 HydrophobicContact CD2-CB 4.42Å; L282-P366 HydrophobicContact CD2-CG 4.23Å; H314-P366 VanDerWaalsContact CE1-CB 3.43Å; H314-P366 WeakPolarHBondContact CE1-CB 3.27Å; F315-P366 CarbonylContact O-C 3.51Å; F315-P366 WeakPolarHBondContact O-CA 3.49Å; T316-P366 HydrophobicContact CG2-CB 3.66Å; T316-P366 HydrophobicContact CG2-CG 3.74Å | ||
| 367 | E | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133.6 | 172.3 | -170.5 | 54.6 | -144.3 | 0 | 0 | 109.6 | T125 H314 F315 F360 A362 | T125-E367 WeakPolarHBondContact CB-OE1 3.48Å; T125-E367 HydrophobicContact CG2-CG 4.4Å; T125-E367 WeakPolarHBondContact CG2-OE1 3.17Å; T125-E367 WeakPolarHBondContact CG2-OE2 3.36Å; T125-E367 PolarHBondContact OG1-OE1 3.39Å; T125-E367 PolarHBondContact OG1-OE2 2.96Å; H314-E367 CarbonylContact C-O 3.59Å; H314-E367 VanDerWaalsContact CA-O 3.24Å; H314-E367 WeakPolarHBondContact CA-O 3.36Å; H314-E367 PolarHBondContact ND1-O 2.67Å; H314-E367 VanDerWaalsContact ND1-O 3.14Å; F315-E367 HydrophobicContact CD1-CB 3.98Å; F315-E367 HydrophobicContact CD1-CG 4.17Å; F315-E367 HydrophobicContact CD2-CB 3.93Å; F315-E367 HydrophobicContact CE1-CB 3.74Å; F315-E367 HydrophobicContact CE1-CG 3.5Å; F315-E367 HydrophobicContact CE2-CB 3.67Å; F315-E367 HydrophobicContact CE2-CG 4.08Å; F315-E367 HydrophobicContact CG-CB 4.09Å; F315-E367 HydrophobicContact CZ-CB 3.59Å; F315-E367 HydrophobicContact CZ-CG 3.46Å; F315-E367 VanDerWaalsContact CZ-CG 3.46Å; F315-E367 PolarHBondContact N-O 3.06Å; F315-E367 PolarHBondContact O-N 2.98Å; F360-E367 HydrophobicContact CE2-CB 4.29Å; F360-E367 HydrophobicContact CE2-CG 4.05Å; F360-E367 HydrophobicContact CZ-CG 4.09Å; A362-E367 HydrophobicContact CB-CB 3.93Å |
| 368 | T | 92.3 | Very high | 90.3 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 36% | 0.362 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.5 | 172.3 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | K123 W313 H314 | K123-T368 WeakPolarHBondContact CD-OG1 3.3Å; K123-T368 PolarHBondContact NZ-O 3.23Å; W313-T368 WeakPolarHBondContact O-CA 3.41Å; H314-T368 HydrophobicContact CB-CG2 4.18Å; H314-T368 WeakPolarHBondContact ND1-CG2 3.24Å |
| 369 | G | 92 | Very high | 90.2 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 164.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L312 W313 | L312-G369 WeakPolarHBondContact CA-O 3.04Å; W313-G369 VanDerWaalsContact CE2-CA 3.44Å; W313-G369 VanDerWaalsContact CZ2-CA 3.5Å; W313-G369 PolarHBondContact N-O 3.05Å; W313-G369 PolarHBondContact O-N 3.12Å; W313-G369 VanDerWaalsContact O-N 3.08Å |
| 370 | A | 94.6 | Very high | 90.3 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.7 | 177 | 0 | 0 | 0 | 0 | 0 | 108.4 | T310 L311 L312 | T310-A370 HydrophobicContact CG2-CB 3.96Å; L311-A370 CarbonylContact O-C 3.46Å; L311-A370 VanDerWaalsContact O-CA 3.28Å; L311-A370 WeakPolarHBondContact O-CA 3.32Å; L312-A370 HydrophobicContact CD2-CB 4.48Å; L312-A370 HydrophobicContact CG-CB 4.43Å |
| 371 | L | 94.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.1 | 176.8 | -177.7 | 72.9 | 0 | 0 | 0 | 108.3 | T310 L311 W313 I325 V354 C373 Y379 | T310-L371 WeakPolarHBondContact CA-O 3.35Å; L311-L371 HydrophobicContact CB-CB 4.49Å; L311-L371 PolarHBondContact N-O 2.82Å; L311-L371 PolarHBondContact O-N 2.87Å; W313-L371 HydrophobicContact CH2-CB 4.09Å; W313-L371 HydrophobicContact CZ3-CB 3.67Å; I325-L371 HydrophobicContact CG2-CD2 4.29Å; V354-L371 HydrophobicContact CB-CD2 4.29Å; V354-L371 HydrophobicContact CG2-CD2 3.77Å; L371-C373 PolarHBondContact O-N 3.11Å; L371-Y379 HydrophobicContact CD2-CD1 3.81Å; L371-Y379 HydrophobicContact CD2-CE1 3.9Å |
| 372 | L | 95 | Very high | 90.8 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 113.3 | 171.8 | 177.9 | 65.1 | 0 | 0 | 0 | 108.9 | R374 | L372-R374 PolarHBondContact O-N 2.98Å |
| 373 | C | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -74.3 | 90.7 | 178.8 | -54 | 0 | 0 | 0 | 0 | 109.4 | C305 A307 G308 S309 L371 Q375 Y379 | C305-C373 HydrophobicContact CB-CB 3.83Å; C305-C373 VanDerWaalsContact CB-SG 3.52Å; C305-C373 VanDerWaalsContact SG-SG 3.65Å; A307-C373 CarbonylContact C-O 3.55Å; A307-C373 WeakPolarHBondContact CA-O 3.26Å; G308-C373 PolarHBondContact N-O 2.86Å; S309-C373 VanDerWaalsContact O-CB 3.28Å; S309-C373 WeakPolarHBondContact O-CB 3.5Å; S309-C373 PolarHBondContact O-N 3.09Å; L371-C373 PolarHBondContact O-N 3.11Å; C373-Q375 VanDerWaalsContact C-N 3.29Å; C373-Q375 PolarHBondContact O-N 3.25Å; C373-Y379 VanDerWaalsContact CA-OH 3.22Å; C373-Y379 WeakPolarHBondContact CA-OH 3.26Å; C373-Y379 HydrophobicContact CB-CE1 4.35Å; C373-Y379 HydrophobicContact CB-CE2 3.75Å; C373-Y379 WeakPolarHBondContact CB-OH 3.26Å | ||
| 374 | R | 90.2 | Very high | 91.4 | Very high | 158 Ų | 158 | 36 Ų | 36 | 60% | 0.596 | 20% | 0.198 | S | C | * | . | trans | -65.1 | -35.3 | -177.1 | -65.5 | -179.4 | -178 | 176.2 | -1.1 | 112.1 | H70 L372 | H70-R374 PolarHBondContact CE1-NH2 2.96Å; L372-R374 PolarHBondContact O-N 2.98Å | ||
| 375 | Q | 91.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 32.1 Ų | 32.1 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -116.2 | 150.2 | 179.9 | -68.8 | 168.9 | -52.7 | 0 | 0 | 110.7 | F327 C373 Y379 | F327-Q375 HydrophobicContact CE1-CB 3.94Å; F327-Q375 VanDerWaalsContact CE1-OE1 3.25Å; F327-Q375 HydrophobicContact CE2-CB 4.23Å; F327-Q375 HydrophobicContact CZ-CB 3.48Å; F327-Q375 VanDerWaalsContact CZ-CB 3.48Å; C373-Q375 VanDerWaalsContact C-N 3.29Å; C373-Q375 PolarHBondContact O-N 3.25Å; Q375-Y379 PolarHBondContact O-OH 2.94Å |
| 376 | A | 91.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -77.6 | 129.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | C305 A307 F330 | C305-A376 WeakPolarHBondContact O-CA 3.35Å; A307-A376 HydrophobicContact CB-CB 4.3Å; F330-A376 HydrophobicContact CD2-CB 4.22Å; F330-A376 HydrophobicContact CE2-CB 3.87Å |
| 377 | G | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -167 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C305 Q328 F330 | C305-G377 PolarHBondContact N-O 3.43Å; C305-G377 PolarHBondContact O-N 3.41Å; C305-G377 VanDerWaalsContact O-N 3.12Å; Q328-G377 WeakPolarHBondContact O-CA 3.33Å; F330-G377 VanDerWaalsContact CE2-CA 3.45Å; F330-G377 VanDerWaalsContact CZ-CA 3.41Å |
| 378 | T | 92.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.5 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | P302 Q328 Y380 | P302-T378 HydrophobicContact CB-CG2 3.77Å; Q328-T378 PolarHBondContact N-O 3.42Å; Q328-T378 PolarHBondContact O-N 2.89Å; T378-Y380 HydrophobicContact CG2-CD1 4.23Å; T378-Y380 HydrophobicContact CG2-CD2 4.16Å; T378-Y380 HydrophobicContact CG2-CE1 3.7Å; T378-Y380 HydrophobicContact CG2-CE2 3.59Å; T378-Y380 HydrophobicContact CG2-CG 4.47Å; T378-Y380 WeakPolarHBondContact O-CD2 3.02Å; T378-Y380 WeakPolarHBondContact O-CE2 3.34Å |
| 379 | Y | 93.4 | Very high | 86.5 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.8 | 175.1 | -68.1 | -104.7 | 0 | 0 | 0 | 108.9 | V303 C305 L311 I325 F326 F327 V354 L371 C373 Q375 | V303-Y379 PolarHBondContact N-O 3.46Å; V303-Y379 PolarHBondContact O-N 3.49Å; C305-Y379 HydrophobicContact CB-CD2 3.58Å; C305-Y379 HydrophobicContact CB-CE2 3.64Å; L311-Y379 HydrophobicContact CD2-CD1 4.45Å; L311-Y379 HydrophobicContact CD2-CG 4.28Å; I325-Y379 HydrophobicContact CG2-CD1 4.34Å; F326-Y379 CarbonylContact O-C 3.56Å; F326-Y379 WeakPolarHBondContact O-CA 3.33Å; F327-Y379 HydrophobicContact CB-CD1 4.33Å; F327-Y379 HydrophobicContact CB-CE1 4.23Å; F327-Y379 HydrophobicContact CD2-CD1 4.07Å; F327-Y379 AromaticContact CD2-CD2 3.86Å; F327-Y379 HydrophobicContact CD2-CD2 3.86Å; F327-Y379 AromaticContact CD2-CE1 3.7Å; F327-Y379 HydrophobicContact CD2-CE1 3.7Å; F327-Y379 AromaticContact CD2-CE2 3.44Å; F327-Y379 HydrophobicContact CD2-CE2 3.44Å; F327-Y379 VanDerWaalsContact CD2-CE2 3.44Å; F327-Y379 HydrophobicContact CD2-CG 4.15Å; F327-Y379 AromaticContact CD2-CZ 3.35Å; F327-Y379 HydrophobicContact CE2-CD2 4.28Å; F327-Y379 HydrophobicContact CE2-CE1 4.47Å; F327-Y379 AromaticContact CE2-CE2 3.57Å; F327-Y379 HydrophobicContact CE2-CE2 3.57Å; F327-Y379 AromaticContact CE2-CZ 3.69Å; F327-Y379 HydrophobicContact CG-CE1 4.22Å; V354-Y379 HydrophobicContact CG2-CD1 4.05Å; V354-Y379 HydrophobicContact CG2-CE1 4.24Å; L371-Y379 HydrophobicContact CD2-CD1 3.81Å; L371-Y379 HydrophobicContact CD2-CE1 3.9Å; C373-Y379 VanDerWaalsContact CA-OH 3.22Å; C373-Y379 WeakPolarHBondContact CA-OH 3.26Å; C373-Y379 HydrophobicContact CB-CE1 4.35Å; C373-Y379 HydrophobicContact CB-CE2 3.75Å; C373-Y379 WeakPolarHBondContact CB-OH 3.26Å; Q375-Y379 PolarHBondContact O-OH 2.94Å |
| 380 | Y | 93.7 | Very high | 84.4 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 99.1 | -172.4 | -65.3 | -85.1 | 0 | 0 | 0 | 110.2 | V300 P302 I325 F326 Q328 P346 M351 T378 T382 | V300-Y380 HydrophobicContact CG1-CD1 3.57Å; V300-Y380 HydrophobicContact CG1-CG 4.09Å; P302-Y380 HydrophobicContact CB-CD1 3.85Å; P302-Y380 HydrophobicContact CB-CE1 3.69Å; I325-Y380 WeakPolarHBondContact CA-O 3.48Å; F326-Y380 PolarHBondContact N-O 2.78Å; F326-Y380 VanDerWaalsContact N-O 3.14Å; F326-Y380 PolarHBondContact O-N 2.87Å; Q328-Y380 HydrophobicContact CB-CE2 3.87Å; P346-Y380 HydrophobicContact CB-CD1 4.14Å; P346-Y380 HydrophobicContact CB-CE1 3.78Å; P346-Y380 HydrophobicContact CG-CD1 3.81Å; P346-Y380 HydrophobicContact CG-CE1 3.39Å; M351-Y380 HydrophobicContact CE-CD2 4.09Å; M351-Y380 HydrophobicContact CE-CE2 3.75Å; M351-Y380 HydrophobicContact SD-CD2 3.38Å; M351-Y380 WeakPolarHBondContact SD-CD2 3.33Å; M351-Y380 HydrophobicContact SD-CE2 3.59Å; M351-Y380 VanDerWaalsContact SD-CE2 3.59Å; M351-Y380 HydrophobicContact SD-CG 4.05Å; T378-Y380 HydrophobicContact CG2-CD1 4.23Å; T378-Y380 HydrophobicContact CG2-CD2 4.16Å; T378-Y380 HydrophobicContact CG2-CE1 3.7Å; T378-Y380 HydrophobicContact CG2-CE2 3.59Å; T378-Y380 HydrophobicContact CG2-CG 4.47Å; T378-Y380 WeakPolarHBondContact O-CD2 3.02Å; T378-Y380 WeakPolarHBondContact O-CE2 3.34Å; Y380-T382 PolarHBondContact O-N 3.09Å; Y380-T382 PolarHBondContact O-OG1 3.32Å; Y380-T382 VanDerWaalsContact O-OG1 3.09Å |
| 381 | L | 95.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.9 | 171.1 | -72 | 74 | 0 | 0 | 0 | 108.2 | V300 I301 V303 L311 W313 F323 I325 F383 I397 V399 | V300-L381 CarbonylContact C-O 3.56Å; V300-L381 WeakPolarHBondContact CA-O 3.06Å; I301-L381 HydrophobicContact CB-CB 4.26Å; I301-L381 PolarHBondContact N-O 2.87Å; I301-L381 PolarHBondContact O-N 2.79Å; V303-L381 HydrophobicContact CB-CD1 4.48Å; V303-L381 HydrophobicContact CG2-CD1 3.67Å; L311-L381 HydrophobicContact CD1-CD1 4.42Å; L311-L381 HydrophobicContact CD2-CD1 3.93Å; W313-L381 HydrophobicContact CB-CD2 3.94Å; F323-L381 HydrophobicContact CE2-CB 4.18Å; F323-L381 HydrophobicContact CE2-CD2 4.43Å; F323-L381 HydrophobicContact CE2-CG 4.41Å; I325-L381 HydrophobicContact CD1-CG 4.31Å; I325-L381 HydrophobicContact CG1-CG 4.26Å; L381-F383 HydrophobicContact CB-CE2 4.32Å; L381-I397 HydrophobicContact CD2-CD1 4.18Å; L381-V399 HydrophobicContact CD2-CG1 4.3Å; L381-V399 HydrophobicContact CD2-CG2 3.76Å |
| 382 | T | 94.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.9 | -167.3 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | V300 F323 G324 F326 V348 Y380 | V300-T382 HydrophobicContact CG2-CG2 4.32Å; F323-T382 VanDerWaalsContact CA-O 3.31Å; F323-T382 WeakPolarHBondContact CA-O 3.27Å; G324-T382 PolarHBondContact N-O 2.88Å; G324-T382 VanDerWaalsContact N-O 3.11Å; G324-T382 PolarHBondContact O-N 3.07Å; F326-T382 HydrophobicContact CE2-CG2 4.26Å; V348-T382 HydrophobicContact CG2-CG2 4.25Å; Y380-T382 PolarHBondContact O-N 3.09Å; Y380-T382 PolarHBondContact O-OG1 3.32Å; Y380-T382 VanDerWaalsContact O-OG1 3.09Å |
| 383 | F | 93.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120 | 176 | -64 | -93.9 | 0 | 0 | 0 | 109.7 | I291 V293 R298 K299 I301 F315 L321 L322 F323 L381 V395 I397 | I291-F383 HydrophobicContact CD1-CD2 4.04Å; I291-F383 HydrophobicContact CD1-CE2 4.21Å; I291-F383 HydrophobicContact CD1-CG 4.44Å; V293-F383 HydrophobicContact CG2-CB 3.81Å; R298-F383 CarbonylContact C-O 3.59Å; R298-F383 VanDerWaalsContact CA-O 3.25Å; R298-F383 WeakPolarHBondContact CA-O 3.43Å; K299-F383 HydrophobicContact CB-CB 4.49Å; K299-F383 PolarHBondContact N-O 3.26Å; K299-F383 PolarHBondContact O-N 3.47Å; I301-F383 HydrophobicContact CD1-CE2 4.26Å; F315-F383 HydrophobicContact CD1-CE1 4.18Å; F315-F383 HydrophobicContact CD1-CZ 4.02Å; F315-F383 HydrophobicContact CD2-CE1 4.09Å; F315-F383 AromaticContact CE1-CE1 3.98Å; F315-F383 HydrophobicContact CE1-CE1 3.98Å; F315-F383 HydrophobicContact CE1-CZ 4.02Å; F315-F383 AromaticContact CE2-CE1 3.9Å; F315-F383 HydrophobicContact CE2-CE1 3.9Å; F315-F383 HydrophobicContact CG-CE1 4.22Å; F315-F383 HydrophobicContact CG-CZ 4.34Å; F315-F383 AromaticContact CZ-CE1 3.82Å; F315-F383 HydrophobicContact CZ-CE1 3.82Å; F315-F383 HydrophobicContact CZ-CZ 4.33Å; L321-F383 HydrophobicContact CD1-CB 3.95Å; L321-F383 HydrophobicContact CD1-CD1 3.65Å; L321-F383 HydrophobicContact CD1-CG 4.3Å; L322-F383 CarbonylContact O-C 3.58Å; L322-F383 VanDerWaalsContact O-CA 3.32Å; L322-F383 WeakPolarHBondContact O-CA 3.48Å; F323-F383 HydrophobicContact CB-CD1 4.45Å; F323-F383 HydrophobicContact CB-CE1 4.41Å; F323-F383 AromaticContact CD2-CD1 3.88Å; F323-F383 HydrophobicContact CD2-CD1 3.88Å; F323-F383 HydrophobicContact CD2-CD2 4.31Å; F323-F383 AromaticContact CD2-CE1 3.41Å; F323-F383 HydrophobicContact CD2-CE1 3.41Å; F323-F383 VanDerWaalsContact CD2-CE1 3.41Å; F323-F383 AromaticContact CD2-CE2 3.89Å; F323-F383 HydrophobicContact CD2-CE2 3.89Å; F323-F383 HydrophobicContact CD2-CG 4.28Å; F323-F383 AromaticContact CD2-CZ 3.39Å; F323-F383 HydrophobicContact CD2-CZ 3.39Å; F323-F383 AromaticContact CE2-CE1 3.99Å; F323-F383 HydrophobicContact CE2-CE1 3.99Å; F323-F383 AromaticContact CE2-CE2 3.87Å; F323-F383 HydrophobicContact CE2-CE2 3.87Å; F323-F383 AromaticContact CE2-CZ 3.47Å; F323-F383 HydrophobicContact CE2-CZ 3.47Å; F323-F383 VanDerWaalsContact CE2-CZ 3.47Å; F323-F383 HydrophobicContact CG-CE1 4.16Å; F323-F383 HydrophobicContact CG-CZ 4.47Å; L381-F383 HydrophobicContact CB-CE2 4.32Å; F383-V395 HydrophobicContact CD1-CG1 4.19Å; F383-V395 HydrophobicContact CD1-CG2 4.19Å; F383-V395 HydrophobicContact CE1-CG1 3.77Å; F383-V395 HydrophobicContact CZ-CG1 4.25Å; F383-I397 HydrophobicContact CE2-CD1 3.71Å; F383-I397 HydrophobicContact CZ-CD1 3.55Å |
| 384 | C | 89.2 | Confident | 80.8 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.1 | -179 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | R298 L322 | R298-C384 HydrophobicContact CB-CB 4.32Å; R298-C384 VanDerWaalsContact CB-SG 3.55Å; L322-C384 HydrophobicContact CB-CB 3.93Å; L322-C384 HydrophobicContact CD1-CB 4.16Å; L322-C384 PolarHBondContact N-O 3.03Å; L322-C384 PolarHBondContact O-N 2.9Å |
| 385 | N | 86.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -103.8 | 46 | 175.6 | -170.9 | 19.7 | 0 | 0 | 0 | 111.3 | V293 N294 R296 R297 S387 S388 S391 R393 | V293-N385 HydrophobicContact CB-CB 4.07Å; V293-N385 HydrophobicContact CG1-CB 3.58Å; V293-N385 PolarHBondContact O-ND2 3.06Å; N294-N385 WeakPolarHBondContact O-CB 3.14Å; N294-N385 PolarHBondContact O-ND2 3.26Å; R296-N385 PolarHBondContact N-O 2.75Å; R297-N385 PolarHBondContact O-N 2.97Å; N385-S387 VanDerWaalsContact C-N 3.34Å; N385-S387 PolarHBondContact O-N 2.91Å; N385-S388 PolarHBondContact O-N 2.79Å; N385-S388 WeakPolarHBondContact OD1-CB 3.46Å; N385-S388 PolarHBondContact OD1-OG 3.21Å; N385-S391 PolarHBondContact ND2-O 3.06Å; N385-R393 HydrophobicContact CB-CG 4.28Å; N385-R393 WeakPolarHBondContact OD1-CG 2.95Å | ||
| 386 | R | 72.1 | Confident | 80.4 | Confident | 127 Ų | 127 | 45.6 Ų | 45.6 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -33.7 | -170.9 | -173.6 | 177 | 178.3 | -179.4 | 0.4 | 113.8 | R296 L322 | R296-R386 WeakPolarHBondContact CD-O 3.5Å; L322-R386 HydrophobicContact CD1-CB 4.11Å |
| 387 | S | 63.7 | Low | 80.4 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 42% | 0.42 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.2 | -175.3 | 56 | 0 | 0 | 0 | 0 | 113.8 | N385 | N385-S387 VanDerWaalsContact C-N 3.34Å; N385-S387 PolarHBondContact O-N 2.91Å |
| 388 | S | 59.8 | Low | 80.1 | Confident | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | trans | -87.5 | 136.1 | -176.2 | -54.7 | 0 | 0 | 0 | 0 | 111 | A295 R296 N385 S391 R393 | A295-S388 WeakPolarHBondContact CB-O 3.44Å; R296-S388 WeakPolarHBondContact CD-O 3.37Å; R296-S388 WeakPolarHBondContact CG-O 3.37Å; R296-S388 PolarHBondContact N-O 2.9Å; R296-S388 PolarHBondContact NE-O 3.45Å; N385-S388 PolarHBondContact O-N 2.79Å; N385-S388 WeakPolarHBondContact OD1-CB 3.46Å; N385-S388 PolarHBondContact OD1-OG 3.21Å; S388-S391 VanDerWaalsContact CB-O 3.24Å; S388-S391 WeakPolarHBondContact CB-O 3.42Å; S388-R393 VanDerWaalsContact OG-CZ 3.28Å; S388-R393 PolarHBondContact OG-NH2 3.47Å | ||
| 389 | W | 48.5 | Very low | 80.1 | Confident | 196 Ų | 196 | 48.3 Ų | 48.3 | 74% | 0.742 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -93.6 | -40.2 | -178.6 | -71 | 45.3 | 0 | 0 | 0 | 112.5 | A295 R296 | A295-W389 WeakPolarHBondContact CB-O 3.27Å; R296-W389 VanDerWaalsContact NH2-CD2 3.27Å |
| 390 | W | 46.3 | Very low | 80 | Confident | 228 Ų | 228 | 50.8 Ų | 50.8 | 86% | 0.864 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -120.2 | -32.1 | -179.2 | 56.6 | 86.8 | 0 | 0 | 0 | 113.4 | ||
| 391 | S | 60.5 | Low | 79.9 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | trans | -89.1 | 122.1 | -168.9 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | N385 S388 R393 | N385-S391 PolarHBondContact ND2-O 3.06Å; S388-S391 VanDerWaalsContact CB-O 3.24Å; S388-S391 WeakPolarHBondContact CB-O 3.42Å; S391-R393 PolarHBondContact O-NH1 3.24Å; S391-R393 PolarHBondContact OG-NH1 3.49Å | ||
| 392 | R | 76.3 | Confident | 79.7 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | trans | -69.7 | 163.7 | 166.4 | 71.6 | -178.4 | -172.5 | -161.6 | -7.1 | 111.6 | V293 H394 N541 P571 | V293-R392 CarbonylContact O-C 3.53Å; V293-R392 WeakPolarHBondContact O-CA 3.32Å; R392-H394 PolarHBondContact NE-NE2 3.19Å; R392-H394 VanDerWaalsContact NE-NE2 3.18Å; R392-N541 PolarHBondContact NH2-OD1 2.91Å; R392-P571 PolarHBondContact NH1-O 3.42Å | ||
| 393 | R | 81.7 | Confident | 79.2 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.9 | 177 | -65.7 | -74.4 | 173.8 | -85.6 | 4.5 | 110.4 | Y292 V293 A320 L321 N385 S388 S391 | Y292-R393 CarbonylContact C-O 3.56Å; Y292-R393 VanDerWaalsContact CA-O 3.26Å; Y292-R393 WeakPolarHBondContact CA-O 3.3Å; V293-R393 HydrophobicContact CB-CB 4.46Å; V293-R393 PolarHBondContact N-O 2.91Å; V293-R393 PolarHBondContact O-N 3.12Å; A320-R393 PolarHBondContact O-NE 2.97Å; A320-R393 VanDerWaalsContact O-NE 3.09Å; L321-R393 HydrophobicContact CB-CG 4.15Å; L321-R393 HydrophobicContact CD2-CB 3.69Å; L321-R393 HydrophobicContact CD2-CG 4.09Å; N385-R393 HydrophobicContact CB-CG 4.28Å; N385-R393 WeakPolarHBondContact OD1-CG 2.95Å; S388-R393 VanDerWaalsContact OG-CZ 3.28Å; S388-R393 PolarHBondContact OG-NH2 3.47Å; S391-R393 PolarHBondContact O-NH1 3.24Å; S391-R393 PolarHBondContact OG-NH1 3.49Å |
| 394 | H | 84.2 | Confident | 77.7 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 18% | 0.181 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.5 | 177.2 | -68.4 | -111.3 | 0 | 0 | 0 | 109.6 | H290 T317 D318 R392 Y396 | H290-H394 AromaticContact CE1-ND1 3.32Å; H290-H394 PolarHBondContact CE1-ND1 3.11Å; H290-H394 VanDerWaalsContact CE1-ND1 3.32Å; H290-H394 AromaticContact NE2-CG 3.72Å; H290-H394 AromaticContact NE2-ND1 3.03Å; H290-H394 PolarHBondContact NE2-ND1 2.96Å; T317-H394 WeakPolarHBondContact CA-O 3.33Å; D318-H394 HydrophobicContact CB-CB 4.2Å; D318-H394 PolarHBondContact N-O 3.39Å; D318-H394 VanDerWaalsContact N-O 3.14Å; D318-H394 PolarHBondContact OD1-N 2.75Å; D318-H394 IonicContact OD2-CD2 3.52Å; D318-H394 PolarHBondContact OD2-CD2 2.87Å; D318-H394 IonicContact OD2-CG 3.4Å; D318-H394 PolarHBondContact OD2-N 3.08Å; D318-H394 VanDerWaalsContact OD2-N 3.09Å; R392-H394 PolarHBondContact NE-NE2 3.19Å; R392-H394 VanDerWaalsContact NE-NE2 3.18Å; H394-Y396 HydrophobicContact CB-CE2 4.41Å |
| 395 | V | 88.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | I291 V293 F315 T316 T317 L321 F383 I397 | I291-V395 HydrophobicContact CD1-CB 4.05Å; I291-V395 HydrophobicContact CD1-CG1 4.19Å; I291-V395 HydrophobicContact CG1-CB 3.6Å; I291-V395 HydrophobicContact CG1-CG1 4.16Å; I291-V395 HydrophobicContact CG1-CG2 4.4Å; I291-V395 PolarHBondContact N-O 3.38Å; I291-V395 PolarHBondContact O-N 2.9Å; I291-V395 VanDerWaalsContact O-O 3.09Å; V293-V395 HydrophobicContact CG2-CG2 4.37Å; F315-V395 HydrophobicContact CB-CG1 4.05Å; F315-V395 HydrophobicContact CD2-CG1 4.05Å; F315-V395 HydrophobicContact CG-CG1 4.26Å; T316-V395 WeakPolarHBondContact O-CA 3.44Å; T317-V395 HydrophobicContact CG2-CG1 4.26Å; T317-V395 HydrophobicContact CG2-CG2 4Å; L321-V395 HydrophobicContact CD2-CG2 3.65Å; F383-V395 HydrophobicContact CD1-CG1 4.19Å; F383-V395 HydrophobicContact CD1-CG2 4.19Å; F383-V395 HydrophobicContact CE1-CG1 3.77Å; F383-V395 HydrophobicContact CZ-CG1 4.25Å; V395-I397 HydrophobicContact CG1-CB 4.33Å |
| 396 | Y | 85.4 | Confident | 73.4 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.3 | 174 | -59.5 | -89.9 | 0 | 0 | 0 | 107.9 | Y289 H290 F315 T316 H394 | Y289-Y396 CarbonylContact O-C 3.43Å; Y289-Y396 WeakPolarHBondContact O-CA 3.36Å; H290-Y396 HydrophobicContact CB-CD1 3.78Å; H290-Y396 HydrophobicContact CB-CE1 3.76Å; H290-Y396 AromaticContact CD2-CD1 3.96Å; H290-Y396 AromaticContact CD2-CE1 3.62Å; H290-Y396 AromaticContact CD2-CZ 3.82Å; H290-Y396 AromaticContact CG-CD1 3.94Å; H290-Y396 AromaticContact CG-CE1 3.51Å; F315-Y396 CarbonylContact C-O 3.55Å; F315-Y396 WeakPolarHBondContact CA-O 3.47Å; F315-Y396 VanDerWaalsContact CB-O 3.24Å; F315-Y396 WeakPolarHBondContact CB-O 3.01Å; T316-Y396 PolarHBondContact N-O 3.42Å; T316-Y396 PolarHBondContact O-N 3.33Å; H394-Y396 HydrophobicContact CB-CE2 4.41Å |
| 397 | I | 90.6 | Very high | 71.2 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.015 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.9 | -166.8 | -176.2 | 169.4 | 0 | 0 | 0 | 113.1 | Y289 I291 I301 H314 F315 L381 F383 V395 V399 | Y289-I397 WeakPolarHBondContact CB-O 3.46Å; Y289-I397 PolarHBondContact N-O 2.83Å; Y289-I397 PolarHBondContact O-N 3.44Å; I291-I397 HydrophobicContact CD1-CG2 4.06Å; I291-I397 HydrophobicContact CG1-CG2 4.29Å; I291-I397 HydrophobicContact CG2-CG2 4.24Å; I301-I397 HydrophobicContact CD1-CD1 3.99Å; I301-I397 HydrophobicContact CD1-CG2 4.32Å; H314-I397 CarbonylContact O-C 3.38Å; H314-I397 VanDerWaalsContact O-CA 3.32Å; H314-I397 WeakPolarHBondContact O-CA 3.35Å; F315-I397 HydrophobicContact CB-CB 3.76Å; F315-I397 HydrophobicContact CB-CD1 4.46Å; F315-I397 HydrophobicContact CB-CG1 3.92Å; F315-I397 HydrophobicContact CD1-CD1 4.46Å; L381-I397 HydrophobicContact CD2-CD1 4.18Å; F383-I397 HydrophobicContact CE2-CD1 3.71Å; F383-I397 HydrophobicContact CZ-CD1 3.55Å; V395-I397 HydrophobicContact CG1-CB 4.33Å; I397-V399 HydrophobicContact CD1-CG2 3.77Å; I397-V399 HydrophobicContact CG1-CG2 3.9Å |
| 398 | K | 87.1 | Confident | 69.5 | Low | 66 Ų | 66 | 89.2 Ų | 89.2 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.2 | 163.1 | -174.6 | -177.4 | -162.6 | -163.7 | 0 | 108.9 | L288 H314 E400 | L288-K398 HydrophobicContact CD2-CB 3.77Å; H314-K398 PolarHBondContact N-O 3.14Å; H314-K398 PolarHBondContact O-N 3.12Å; K398-E400 WeakPolarHBondContact CE-OE1 3.4Å; K398-E400 HydrophobicContact CG-CG 4.47Å; K398-E400 IonicContact NZ-OE1 3.27Å; K398-E400 PolarHBondContact NZ-OE1 3.1Å |
| 399 | V | 91.4 | Very high | 67.8 | Low | 43 Ų | 43 | 96.8 Ų | 96.8 | 26% | 0.261 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.4 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | V303 L311 L312 L381 I397 | V303-V399 HydrophobicContact CG2-CG1 3.93Å; L311-V399 HydrophobicContact CD1-CG1 3.68Å; L312-V399 WeakPolarHBondContact O-CA 3.38Å; L381-V399 HydrophobicContact CD2-CG1 4.3Å; L381-V399 HydrophobicContact CD2-CG2 3.76Å; I397-V399 HydrophobicContact CD1-CG2 3.77Å; I397-V399 HydrophobicContact CG1-CG2 3.9Å |
| 400 | E | 90.7 | Very high | 66.7 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 27% | 0.271 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.2 | 176.8 | -65.2 | -179.7 | -176.1 | 0 | 0 | 109.8 | L312 K398 R402 | L312-E400 HydrophobicContact CB-CB 4.38Å; L312-E400 HydrophobicContact CD1-CB 4.29Å; L312-E400 PolarHBondContact N-O 2.68Å; L312-E400 PolarHBondContact O-N 2.92Å; K398-E400 WeakPolarHBondContact CE-OE1 3.4Å; K398-E400 HydrophobicContact CG-CG 4.47Å; K398-E400 IonicContact NZ-OE1 3.27Å; K398-E400 PolarHBondContact NZ-OE1 3.1Å; E400-R402 IonicContact OE2-CZ 3.81Å; E400-R402 IonicContact OE2-NE 2.83Å; E400-R402 PolarHBondContact OE2-NE 3.37Å; E400-R402 IonicContact OE2-NH2 3.47Å; E400-R402 PolarHBondContact OE2-NH2 2.98Å |
| 401 | V | 92.9 | Very high | 65.6 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.9 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | V303 T310 L311 | V303-V401 HydrophobicContact CG1-CG2 3.42Å; V303-V401 VanDerWaalsContact CG1-CG2 3.42Å; T310-V401 WeakPolarHBondContact O-CA 3.4Å; L311-V401 HydrophobicContact CD1-CG2 4.01Å |
| 402 | R | 91.3 | Very high | 63.8 | Low | 148 Ų | 148 | 100 Ų | 100 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.5 | 178.1 | -67.9 | -178.8 | -173.3 | -178.3 | 2.5 | 110 | S309 T310 L312 E400 | S309-R402 CarbonylContact C-O 3.57Å; S309-R402 WeakPolarHBondContact CA-O 3.49Å; T310-R402 PolarHBondContact N-O 2.89Å; T310-R402 PolarHBondContact O-N 3.49Å; L312-R402 HydrophobicContact CD1-CB 4.03Å; L312-R402 HydrophobicContact CD1-CG 3.62Å; E400-R402 IonicContact OE2-CZ 3.81Å; E400-R402 IonicContact OE2-NE 2.83Å; E400-R402 PolarHBondContact OE2-NE 3.37Å; E400-R402 IonicContact OE2-NH2 3.47Å; E400-R402 PolarHBondContact OE2-NH2 2.98Å |
| 403 | T | 82.8 | Confident | 61.3 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.4 | 173.5 | -49.5 | 0 | 0 | 0 | 0 | 108.4 | E405 | T403-E405 PolarHBondContact O-N 2.79Å |
| 404 | T | 62.6 | Low | 58.6 | Low | 112 Ų | 112 | 111 Ų | 111 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | trans | -70.6 | 95.5 | 168.8 | 36.5 | 0 | 0 | 0 | 0 | 108.9 | V406 | T404-V406 PolarHBondContact O-N 3.22Š| ||
| 405 | E | 46.2 | Very low | 55.7 | Low | 177 Ų | 177 | 119 Ų | 119 | 83% | 0.827 | 59% | 0.593 | S | S | * | * | trans | -71.6 | 119 | 162.4 | -71.6 | -175.3 | 176.8 | 0 | 0 | 108.2 | T403 T407 | T403-E405 PolarHBondContact O-N 2.79Å; E405-T407 PolarHBondContact O-N 2.99Å; E405-T407 VanDerWaalsContact O-N 3.12Å | ||
| 406 | V | 38.1 | Very low | 52.8 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 81% | 0.806 | 63% | 0.629 | S | S | * | * | trans | -56.8 | 116.9 | 166.4 | 176.3 | 0 | 0 | 0 | 0 | 106.9 | T404 Q408 | T404-V406 PolarHBondContact O-N 3.22Å; V406-Q408 PolarHBondContact O-N 2.73Å | ||
| 407 | T | 26.8 | Very low | 49.9 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 83% | 0.828 | 66% | 0.657 | S | S | * | * | trans | -35.2 | 106.3 | 177.8 | 34 | 0 | 0 | 0 | 0 | 113.4 | E405 | E405-T407 PolarHBondContact O-N 2.99Å; E405-T407 VanDerWaalsContact O-N 3.12Å | ||
| 408 | Q | 27.2 | Very low | 46.7 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -116.4 | 112.2 | 147.8 | -83.8 | -171.7 | -1.2 | 0 | 0 | 108.5 | V406 | V406-Q408 PolarHBondContact O-N 2.73Š| ||
| 409 | H | 24.6 | Very low | 43.8 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | trans | -47.7 | 146.1 | 167.2 | -131.4 | 33.1 | 0 | 0 | 0 | 111.2 | ||||
| 410 | N | 25.2 | Very low | 40.5 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 93.2 | 120.5 | 154.8 | -65.2 | -25.9 | 0 | 0 | 0 | 120.3 | ||||
| 411 | M | 23.6 | Very low | 37.3 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | 92.7 | 99.3 | 145.1 | -69.5 | -174.2 | -77.1 | 0 | 0 | 119.1 | ||||
| 412 | R | 22.8 | Very low | 34 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 57.1 | 90.5 | 134.4 | -73.9 | 179.1 | 166.3 | 174.9 | -2.9 | 116.8 | ||||
| 413 | A | 24.1 | Very low | 30.8 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -135 | 46.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K415 | A413-K415 PolarHBondContact O-N 2.82Å; A413-K415 VanDerWaalsContact O-N 3.1Å | ||
| 414 | E | 23.8 | Very low | 28 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 29.2 | 170.1 | -100.5 | -176.8 | 167.2 | 0 | 0 | 113.5 | ||
| 415 | K | 24.6 | Very low | 26.4 | Very low | 206 Ų | 206 | 137.9 Ų | 137.9 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 11.5 | -175 | -104.5 | -174.5 | 178.9 | -176.8 | 0 | 118 | A413 | A413-K415 PolarHBondContact O-N 2.82Å; A413-K415 VanDerWaalsContact O-N 3.1Å |
| 416 | A | 26.2 | Very low | 25.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -109.4 | -6.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G418 | A416-G418 PolarHBondContact O-N 3.37Š|
| 417 | A | 24.7 | Very low | 25.3 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 12.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 418 | G | 24.2 | Very low | 25.4 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 0.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | A416 | A416-G418 PolarHBondContact O-N 3.37Š|
| 419 | Q | 25.1 | Very low | 25.5 | Very low | 192 Ų | 192 | 122.1 Ų | 122.1 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -136.7 | 9.7 | -167.4 | -74.5 | -172.4 | -10.1 | 0 | 0 | 118.7 | ||
| 420 | S | 23.4 | Very low | 25.6 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -106.7 | 3.8 | 174.4 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | G422 | S420-G422 PolarHBondContact O-N 3.37Š|
| 421 | S | 23.6 | Very low | 25.8 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -79 | 9.9 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | G423 | S421-G423 VanDerWaalsContact C-N 3.29Å; S421-G423 PolarHBondContact O-N 2.95Å |
| 422 | G | 23.1 | Very low | 26.1 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -69.4 | -13.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S420 | S420-G422 PolarHBondContact O-N 3.37Š|
| 423 | G | 23.3 | Very low | 26.7 | Very low | 49 Ų | 49 | 111.6 Ų | 111.6 | 51% | 0.505 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -76.6 | -41.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S421 S426 | S421-G423 VanDerWaalsContact C-N 3.29Å; S421-G423 PolarHBondContact O-N 2.95Å; G423-S426 PolarHBondContact O-OG 2.97Å |
| 424 | Y | 25.4 | Very low | 27.4 | Very low | 189 Ų | 189 | 117.4 Ų | 117.4 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -24.5 | -166.5 | -66.2 | -73.8 | 0 | 0 | 0 | 114.4 | S426 A427 | Y424-S426 PolarHBondContact O-N 2.94Å; Y424-A427 PolarHBondContact O-N 3.3Å |
| 425 | A | 27.4 | Very low | 28.6 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -66.3 | -27.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A427 G428 | A425-A427 PolarHBondContact O-N 3.09Å; A425-G428 PolarHBondContact O-N 2.82Å |
| 426 | S | 31.2 | Very low | 30.6 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 49% | 0.49 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -69.9 | -15 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | G423 Y424 N563 | G423-S426 PolarHBondContact O-OG 2.97Å; Y424-S426 PolarHBondContact O-N 2.94Å; S426-N563 PolarHBondContact O-ND2 2.86Å |
| 427 | A | 31.3 | Very low | 33.1 | Very low | 46 Ų | 46 | 109.5 Ų | 109.5 | 38% | 0.38 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -92.6 | 0.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y424 A425 I429 | Y424-A427 PolarHBondContact O-N 3.3Å; A425-A427 PolarHBondContact O-N 3.09Å; A427-I429 VanDerWaalsContact C-N 3.28Å; A427-I429 HydrophobicContact CB-CD1 4.36Å; A427-I429 HydrophobicContact CB-CG1 4.38Å; A427-I429 PolarHBondContact O-N 2.8Å |
| 428 | G | 27.7 | Very low | 35.9 | Very low | 63 Ų | 63 | 105.9 Ų | 105.9 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 18.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A425 K430 | A425-G428 PolarHBondContact O-N 2.82Å; G428-K430 PolarHBondContact O-N 2.84Å |
| 429 | I | 30.1 | Very low | 38.8 | Very low | 125 Ų | 125 | 106.9 Ų | 106.9 | 64% | 0.641 | 65% | 0.652 | S | S | * | * | trans | -90.1 | 107.3 | -178.7 | -57.6 | 175.1 | 0 | 0 | 0 | 109.3 | A427 T431 | A427-I429 VanDerWaalsContact C-N 3.28Å; A427-I429 HydrophobicContact CB-CD1 4.36Å; A427-I429 HydrophobicContact CB-CG1 4.38Å; A427-I429 PolarHBondContact O-N 2.8Å; I429-T431 PolarHBondContact O-N 2.85Å | ||
| 430 | K | 27 | Very low | 41.9 | Very low | 191 Ų | 191 | 100.1 Ų | 100.1 | 83% | 0.83 | 62% | 0.62 | S | S | * | * | trans | -76.4 | 107.6 | 165.1 | -71.3 | -174.8 | 177.5 | -177.8 | 0 | 108.5 | G428 G432 | G428-K430 PolarHBondContact O-N 2.84Å; K430-G432 PolarHBondContact O-N 2.88Å | ||
| 431 | T | 29 | Very low | 44.9 | Very low | 135 Ų | 135 | 98 Ų | 98 | 83% | 0.828 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 95.4 | 171 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | I429 | I429-T431 PolarHBondContact O-N 2.85Š|
| 432 | G | 30.1 | Very low | 48 | Very low | 81 Ų | 81 | 95.6 Ų | 95.6 | 84% | 0.835 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.1 | -0.7 | 176 | 0 | 0 | 0 | 0 | 0 | 118 | K430 | K430-G432 PolarHBondContact O-N 2.88Š|
| 433 | S | 34.6 | Very low | 51 | Low | 80 Ų | 80 | 96.1 Ų | 96.1 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | trans | -96.3 | 127.4 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | Q435 | S433-Q435 PolarHBondContact O-N 3.31Š| ||
| 434 | K | 39.6 | Very low | 54.1 | Low | 221 Ų | 221 | 101.6 Ų | 101.6 | 96% | 0.961 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -64.2 | 17.6 | 176.3 | -76.1 | -176.3 | 173.5 | 179.8 | 0 | 115.2 | ||
| 435 | Q | 48.1 | Very low | 56.9 | Low | 156 Ų | 156 | 99.5 Ų | 99.5 | 73% | 0.729 | 58% | 0.579 | S | S | * | * | trans | -107 | 107.2 | -179.6 | -78.1 | -179.6 | -20.2 | 0 | 0 | 110.9 | S433 T437 | S433-Q435 PolarHBondContact O-N 3.31Å; Q435-T437 PolarHBondContact O-N 3.02Å | ||
| 436 | N | 67.6 | Low | 59.9 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | trans | -78.5 | 10.1 | -179.6 | -158.7 | 17.2 | 0 | 0 | 0 | 113.9 | T532 | N436-T532 WeakPolarHBondContact O-CA 3.37Å; N436-T532 WeakPolarHBondContact O-CB 3.37Å | ||
| 437 | T | 78.8 | Confident | 62.8 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 138.7 | -176.9 | -58 | 0 | 0 | 0 | 0 | 110.1 | Q435 K530 | Q435-T437 PolarHBondContact O-N 3.02Å; T437-K530 HydrophobicContact CG2-CB 3.49Å; T437-K530 VanDerWaalsContact CG2-CB 3.49Å; T437-K530 HydrophobicContact CG2-CD 4.45Å; T437-K530 WeakPolarHBondContact CG2-O 3.43Å |
| 438 | L | 84.4 | Confident | 65.7 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 17% | 0.168 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 137.1 | 179.2 | -68.5 | 165 | 0 | 0 | 0 | 111.1 | F440 L531 R533 L536 Y555 L560 W568 | L438-F440 PolarHBondContact O-N 3.43Å; L438-L531 WeakPolarHBondContact CB-O 3Å; L438-L531 PolarHBondContact N-O 2.79Å; L438-R533 HydrophobicContact CD2-CB 4.04Å; L438-R533 HydrophobicContact CD2-CG 4.4Å; L438-R533 HydrophobicContact CG-CB 4.49Å; L438-L536 HydrophobicContact CD1-CB 3.9Å; L438-L536 HydrophobicContact CD1-CD2 3.49Å; L438-L536 VanDerWaalsContact CD1-CD2 3.49Å; L438-L536 HydrophobicContact CD1-CG 4.36Å; L438-Y555 HydrophobicContact CD1-CE1 4.43Å; L438-L560 HydrophobicContact CB-CD2 3.98Å; L438-L560 HydrophobicContact CD1-CD2 4.35Å; L438-W568 HydrophobicContact CD2-CZ2 4.01Å |
| 439 | A | 84.3 | Confident | 68.8 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 120.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 440 | F | 90.2 | Very high | 71.4 | Confident | 49 Ų | 49 | 86.3 Ų | 86.3 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 136.1 | 176.3 | 173.8 | -96.5 | 0 | 0 | 0 | 111.7 | L438 G442 N443 K444 M447 F527 C559 | L438-F440 PolarHBondContact O-N 3.43Å; F440-G442 VanDerWaalsContact CE1-C 3.47Å; F440-G442 WeakPolarHBondContact CE1-O 3.34Å; F440-N443 VanDerWaalsContact CE1-C 3.43Å; F440-N443 WeakPolarHBondContact CE1-O 3.31Å; F440-N443 VanDerWaalsContact CZ-O 3.26Å; F440-N443 WeakPolarHBondContact CZ-O 3.49Å; F440-K444 HydrophobicContact CD1-CG 3.77Å; F440-K444 HydrophobicContact CE1-CB 4.35Å; F440-K444 HydrophobicContact CE1-CG 3.87Å; F440-M447 HydrophobicContact CE2-CG 4.23Å; F440-F527 HydrophobicContact CD1-CE2 4.05Å; F440-F527 AromaticContact CD2-CD2 3.59Å; F440-F527 HydrophobicContact CD2-CD2 3.59Å; F440-F527 AromaticContact CD2-CE2 3.37Å; F440-F527 HydrophobicContact CD2-CE2 3.37Å; F440-F527 HydrophobicContact CE1-CE2 4.08Å; F440-F527 AromaticContact CE2-CD2 3.65Å; F440-F527 HydrophobicContact CE2-CD2 3.65Å; F440-F527 AromaticContact CE2-CE2 3.42Å; F440-F527 HydrophobicContact CE2-CE2 3.42Å; F440-F527 VanDerWaalsContact CE2-CE2 3.42Å; F440-F527 HydrophobicContact CE2-CZ 4.32Å; F440-F527 HydrophobicContact CG-CD2 4.3Å; F440-F527 AromaticContact CG-CE2 3.71Å; F440-F527 HydrophobicContact CG-CE2 3.71Å; F440-F527 HydrophobicContact CZ-CD2 4.42Å; F440-F527 AromaticContact CZ-CE2 3.78Å; F440-F527 HydrophobicContact CZ-CE2 3.78Å; F440-F527 HydrophobicContact CZ-CZ 4.31Å; F440-C559 CarbonylContact C-O 3.54Å; F440-C559 WeakPolarHBondContact CA-O 3.37Å; F440-C559 HydrophobicContact CD2-CB 3.78Å; F440-C559 HydrophobicContact CE2-CB 4.09Å |
| 441 | W | 87 | Confident | 74.1 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 29% | 0.288 | 46% | 0.457 | S | S | . | . | trans | -113.1 | 129.5 | 176.8 | 179.7 | 76.6 | 0 | 0 | 0 | 111.3 | N448 C559 H561 P562 P610 | W441-N448 PolarHBondContact O-ND2 3.21Å; W441-C559 PolarHBondContact N-O 3.47Å; W441-H561 HydrophobicContact CB-CB 4.27Å; W441-H561 AromaticContact CD1-CD2 3.3Å; W441-H561 HydrophobicContact CG-CB 4.27Å; W441-H561 AromaticContact CG-CD2 3.96Å; W441-H561 AromaticContact NE1-CD2 3.45Å; W441-H561 PolarHBondContact NE1-CD2 2.87Å; W441-H561 AromaticContact NE1-NE2 3.8Å; W441-P562 HydrophobicContact CD2-CG 4.47Å; W441-P562 HydrophobicContact CE3-CG 4.1Å; W441-P562 HydrophobicContact CH2-CG 3.63Å; W441-P562 HydrophobicContact CZ2-CG 4.02Å; W441-P562 HydrophobicContact CZ3-CG 3.67Å; W441-P610 HydrophobicContact CZ3-CB 4.24Å | ||
| 442 | G | 87.5 | Confident | 76.7 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 45% | 0.454 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 106.5 | -148.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | F440 K444 N448 | F440-G442 VanDerWaalsContact CE1-C 3.47Å; F440-G442 WeakPolarHBondContact CE1-O 3.34Å; G442-K444 PolarHBondContact O-N 2.89Å; G442-N448 VanDerWaalsContact CA-OD1 3.22Å; G442-N448 WeakPolarHBondContact CA-OD1 3.4Å |
| 443 | N | 87.2 | Confident | 79.6 | Confident | 74 Ų | 74 | 74.1 Ų | 74.1 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | trans | -78.9 | 109.6 | -174.2 | -173 | -29.8 | 0 | 0 | 0 | 111.9 | F440 Q445 T446 M447 N448 | F440-N443 VanDerWaalsContact CE1-C 3.43Å; F440-N443 WeakPolarHBondContact CE1-O 3.31Å; F440-N443 VanDerWaalsContact CZ-O 3.26Å; F440-N443 WeakPolarHBondContact CZ-O 3.49Å; N443-Q445 PolarHBondContact O-N 3.14Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.49Å; N443-Q445 PolarHBondContact OD1-N 3.48Å; N443-T446 PolarHBondContact ND2-OG1 2.93Å; N443-T446 PolarHBondContact O-N 3Å; N443-T446 PolarHBondContact OD1-N 3.46Å; N443-M447 WeakPolarHBondContact O-CA 3.35Å; N443-M447 PolarHBondContact O-N 3.38Å; N443-N448 PolarHBondContact N-OD1 2.69Å | ||
| 444 | K | 86.9 | Confident | 82.4 | Confident | 164 Ų | 164 | 72.8 Ų | 72.8 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.3 | -177.4 | -65.7 | -180 | -178.8 | 177.5 | 0 | 114.5 | F440 G442 F527 | F440-K444 HydrophobicContact CD1-CG 3.77Å; F440-K444 HydrophobicContact CE1-CB 4.35Å; F440-K444 HydrophobicContact CE1-CG 3.87Å; G442-K444 PolarHBondContact O-N 2.89Å; K444-F527 VanDerWaalsContact O-CZ 3.27Å; K444-F527 WeakPolarHBondContact O-CZ 3.21Å |
| 445 | Q | 85.8 | Confident | 84.7 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -42.7 | 175 | -67.4 | 179.7 | -4.2 | 0 | 0 | 110.8 | N443 Y454 Y524 | N443-Q445 PolarHBondContact O-N 3.14Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.49Å; N443-Q445 PolarHBondContact OD1-N 3.48Å; Q445-Y454 WeakPolarHBondContact O-CE2 3.47Å; Q445-Y524 PolarHBondContact O-OH 3.06Å |
| 446 | T | 89.2 | Confident | 86.7 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -1.3 | -171.7 | 68.2 | 0 | 0 | 0 | 0 | 114.7 | N443 N448 L449 Y454 | N443-T446 PolarHBondContact ND2-OG1 2.93Å; N443-T446 PolarHBondContact O-N 3Å; N443-T446 PolarHBondContact OD1-N 3.46Å; T446-N448 PolarHBondContact O-N 3.24Å; T446-L449 WeakPolarHBondContact O-CB 3.43Å; T446-L449 VanDerWaalsContact O-CG 3.3Å; T446-L449 WeakPolarHBondContact O-CG 3.4Å; T446-L449 PolarHBondContact O-N 3.45Å; T446-Y454 HydrophobicContact CG2-CD1 4.24Å; T446-Y454 HydrophobicContact CG2-CD2 4.32Å; T446-Y454 HydrophobicContact CG2-CG 4.14Å |
| 447 | M | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 30.9 | -172.1 | -166 | -167.3 | 69.8 | 0 | 0 | 112.5 | F440 N443 L449 L523 Y524 F527 | F440-M447 HydrophobicContact CE2-CG 4.23Å; N443-M447 WeakPolarHBondContact O-CA 3.35Å; N443-M447 PolarHBondContact O-N 3.38Å; M447-L449 HydrophobicContact CB-CG 4.43Å; M447-L449 HydrophobicContact CE-CD1 3.75Å; M447-L449 HydrophobicContact CE-CD2 3.71Å; M447-L449 HydrophobicContact CE-CG 3.69Å; M447-L449 PolarHBondContact O-N 2.97Å; M447-L449 VanDerWaalsContact O-N 3.13Å; M447-L523 HydrophobicContact CE-CB 4.31Å; M447-L523 HydrophobicContact CE-CD2 3.71Å; M447-L523 HydrophobicContact CE-CG 3.59Å; M447-L523 HydrophobicContact SD-CG 4.15Å; M447-Y524 HydrophobicContact CB-CD2 3.86Å; M447-Y524 HydrophobicContact CB-CE2 4.01Å; M447-Y524 HydrophobicContact SD-CD2 4.35Å; M447-F527 HydrophobicContact CB-CB 4.4Å; M447-F527 HydrophobicContact CB-CD1 3.76Å; M447-F527 HydrophobicContact CB-CD2 4.37Å; M447-F527 HydrophobicContact CB-CE1 4.11Å; M447-F527 HydrophobicContact CB-CG 3.9Å; M447-F527 HydrophobicContact CG-CB 3.66Å; M447-F527 HydrophobicContact CG-CD1 3.96Å; M447-F527 HydrophobicContact CG-CD2 3.91Å; M447-F527 HydrophobicContact CG-CG 3.55Å; M447-F527 HydrophobicContact SD-CB 3.28Å; M447-F527 WeakPolarHBondContact SD-CB 3.49Å; M447-F527 HydrophobicContact SD-CD1 4.32Å; M447-F527 HydrophobicContact SD-CG 3.86Å |
| 448 | N | 92.5 | Very high | 88.6 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 16.3 | -172.3 | -50.7 | -56.4 | 0 | 0 | 0 | 114.9 | W441 G442 N443 T446 Y558 P610 | W441-N448 PolarHBondContact O-ND2 3.21Å; G442-N448 VanDerWaalsContact CA-OD1 3.22Å; G442-N448 WeakPolarHBondContact CA-OD1 3.4Å; N443-N448 PolarHBondContact N-OD1 2.69Å; T446-N448 PolarHBondContact O-N 3.24Å; N448-Y558 PolarHBondContact ND2-O 3.13Å; N448-P610 HydrophobicContact CB-CB 4.23Å; N448-P610 HydrophobicContact CB-CG 3.56Å |
| 449 | L | 91.7 | Very high | 88.8 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | trans | -71.5 | 153 | 172.9 | -63.6 | 172.8 | 0 | 0 | 0 | 110.9 | T446 M447 I457 F520 Y524 Y558 | T446-L449 WeakPolarHBondContact O-CB 3.43Å; T446-L449 VanDerWaalsContact O-CG 3.3Å; T446-L449 WeakPolarHBondContact O-CG 3.4Å; T446-L449 PolarHBondContact O-N 3.45Å; M447-L449 HydrophobicContact CB-CG 4.43Å; M447-L449 HydrophobicContact CE-CD1 3.75Å; M447-L449 HydrophobicContact CE-CD2 3.71Å; M447-L449 HydrophobicContact CE-CG 3.69Å; M447-L449 PolarHBondContact O-N 2.97Å; M447-L449 VanDerWaalsContact O-N 3.13Å; L449-I457 HydrophobicContact CD1-CD1 3.55Å; L449-F520 HydrophobicContact CD2-CD1 3.71Å; L449-F520 HydrophobicContact CD2-CE1 3.63Å; L449-Y524 HydrophobicContact CD1-CD2 3.9Å; L449-Y558 HydrophobicContact CD2-CD1 4.25Å; L449-Y558 HydrophobicContact CD2-CE1 3.86Å | ||
| 450 | N | 84.2 | Confident | 89.1 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | trans | -56.2 | 138 | 164.3 | -177.2 | -32.7 | 0 | 0 | 0 | 109.6 | L452 V453 Y454 G509 | N450-L452 PolarHBondContact O-N 2.86Å; N450-L452 PolarHBondContact OD1-N 2.79Å; N450-V453 HydrophobicContact CB-CG2 4.25Å; N450-V453 PolarHBondContact O-N 2.72Å; N450-V453 VanDerWaalsContact O-N 3.08Å; N450-Y454 PolarHBondContact O-N 3.11Å; N450-G509 PolarHBondContact ND2-O 2.99Å | ||
| 451 | H | 84.2 | Confident | 88.9 | Confident | 114 Ų | 114 | 57 Ų | 57 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.1 | -42.6 | -178.9 | -171.8 | 51.5 | 0 | 0 | 0 | 112.7 | V453 Y454 E455 | H451-V453 PolarHBondContact O-N 2.81Å; H451-Y454 PolarHBondContact O-N 3.03Å; H451-E455 IonicContact CE1-OE1 3.46Å; H451-E455 PolarHBondContact CE1-OE1 3.17Å; H451-E455 IonicContact NE2-OE1 3.19Å; H451-E455 PolarHBondContact NE2-OE1 3.16Å; H451-E455 WeakPolarHBondContact O-CG 3.28Å; H451-E455 PolarHBondContact O-N 2.98Å |
| 452 | L | 85 | Confident | 89.3 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 179.6 | -178.2 | 67 | 0 | 0 | 0 | 112.5 | N450 N456 W490 G511 | N450-L452 PolarHBondContact O-N 2.86Å; N450-L452 PolarHBondContact OD1-N 2.79Å; L452-N456 PolarHBondContact O-N 2.82Å; L452-N456 VanDerWaalsContact O-N 3.15Å; L452-N456 PolarHBondContact O-ND2 2.96Å; L452-W490 HydrophobicContact CD2-CH2 4.23Å; L452-W490 HydrophobicContact CD2-CZ2 3.98Å; L452-W490 HydrophobicContact CG-CH2 3.97Å; L452-W490 HydrophobicContact CG-CZ2 4.13Å; L452-G511 WeakPolarHBondContact CD2-O 3.23Å |
| 453 | V | 90.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | N450 H451 E455 N456 I457 P489 W490 V516 F520 | N450-V453 HydrophobicContact CB-CG2 4.25Å; N450-V453 PolarHBondContact O-N 2.72Å; N450-V453 VanDerWaalsContact O-N 3.08Å; H451-V453 PolarHBondContact O-N 2.81Å; V453-E455 PolarHBondContact O-N 2.9Å; V453-N456 PolarHBondContact O-N 3.4Å; V453-I457 HydrophobicContact CG1-CD1 4.08Å; V453-I457 HydrophobicContact CG1-CG1 4.49Å; V453-I457 WeakPolarHBondContact O-CG1 3.25Å; V453-I457 PolarHBondContact O-N 2.79Å; V453-P489 HydrophobicContact CG1-CB 4.48Å; V453-P489 HydrophobicContact CG2-CB 4.25Å; V453-W490 HydrophobicContact CG2-CH2 4.26Å; V453-W490 HydrophobicContact CG2-CZ2 3.76Å; V453-V516 HydrophobicContact CG1-CG2 4.36Å; V453-F520 HydrophobicContact CG1-CD1 3.78Å; V453-F520 HydrophobicContact CG1-CE1 4.45Å; V453-F520 HydrophobicContact CG1-CG 4.47Å |
| 454 | Y | 93.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 57 Ų | 57 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.4 | 172 | -98.4 | 0 | 0 | 0 | 112.6 | Q445 T446 N450 H451 N456 I457 M458 Y524 | Q445-Y454 WeakPolarHBondContact O-CE2 3.47Å; T446-Y454 HydrophobicContact CG2-CD1 4.24Å; T446-Y454 HydrophobicContact CG2-CD2 4.32Å; T446-Y454 HydrophobicContact CG2-CG 4.14Å; N450-Y454 PolarHBondContact O-N 3.11Å; H451-Y454 PolarHBondContact O-N 3.03Å; Y454-N456 VanDerWaalsContact C-N 3.3Å; Y454-N456 PolarHBondContact O-N 2.86Å; Y454-I457 PolarHBondContact O-N 3.46Å; Y454-M458 HydrophobicContact CD1-CG 4.4Å; Y454-M458 HydrophobicContact CD2-CE 4.12Å; Y454-M458 HydrophobicContact CD2-CG 4.47Å; Y454-M458 HydrophobicContact CE1-CG 3.92Å; Y454-M458 HydrophobicContact CE2-CE 3.71Å; Y454-M458 HydrophobicContact CE2-CG 4Å; Y454-M458 HydrophobicContact CE2-SD 4.14Å; Y454-M458 WeakPolarHBondContact O-CG 3.14Å; Y454-M458 PolarHBondContact O-N 2.65Å; Y454-Y524 AromaticContact CD2-CE2 3.88Å; Y454-Y524 HydrophobicContact CD2-CE2 3.88Å; Y454-Y524 AromaticContact CE2-CE2 3.82Å; Y454-Y524 HydrophobicContact CE2-CE2 3.82Å; Y454-Y524 AromaticContact CE2-CZ 3.74Å; Y454-Y524 WeakPolarHBondContact CE2-OH 3.48Å |
| 455 | E | 88.8 | Confident | 89.9 | Confident | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176.9 | -74 | -172.2 | 142.7 | 0 | 0 | 111.6 | H451 V453 I457 M458 I459 | H451-E455 IonicContact CE1-OE1 3.46Å; H451-E455 PolarHBondContact CE1-OE1 3.17Å; H451-E455 IonicContact NE2-OE1 3.19Å; H451-E455 PolarHBondContact NE2-OE1 3.16Å; H451-E455 WeakPolarHBondContact O-CG 3.28Å; H451-E455 PolarHBondContact O-N 2.98Å; V453-E455 PolarHBondContact O-N 2.9Å; E455-I457 PolarHBondContact O-N 2.69Å; E455-M458 PolarHBondContact O-N 2.98Å; E455-I459 WeakPolarHBondContact O-CG1 3.17Å; E455-I459 PolarHBondContact O-N 3.49Å |
| 456 | N | 90.3 | Very high | 90.1 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 177.4 | -79.8 | -83.8 | 0 | 0 | 0 | 112.6 | L452 V453 Y454 I459 S460 W490 V516 | L452-N456 PolarHBondContact O-N 2.82Å; L452-N456 VanDerWaalsContact O-N 3.15Å; L452-N456 PolarHBondContact O-ND2 2.96Å; V453-N456 PolarHBondContact O-N 3.4Å; Y454-N456 VanDerWaalsContact C-N 3.3Å; Y454-N456 PolarHBondContact O-N 2.86Å; N456-I459 WeakPolarHBondContact O-CG1 3.32Å; N456-I459 PolarHBondContact O-N 2.99Å; N456-S460 WeakPolarHBondContact O-CB 3.28Å; N456-S460 PolarHBondContact O-N 3.01Å; N456-W490 HydrophobicContact CB-CH2 4.18Å; N456-W490 HydrophobicContact CB-CZ3 3.91Å; N456-V516 HydrophobicContact CB-CB 4.02Å; N456-V516 HydrophobicContact CB-CG1 4.25Å |
| 457 | I | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 170.9 | -63.6 | 168.3 | 0 | 0 | 0 | 110.1 | L449 V453 Y454 E455 I459 S460 Y463 V516 F520 Y524 | L449-I457 HydrophobicContact CD1-CD1 3.55Å; V453-I457 HydrophobicContact CG1-CD1 4.08Å; V453-I457 HydrophobicContact CG1-CG1 4.49Å; V453-I457 WeakPolarHBondContact O-CG1 3.25Å; V453-I457 PolarHBondContact O-N 2.79Å; Y454-I457 PolarHBondContact O-N 3.46Å; E455-I457 PolarHBondContact O-N 2.69Å; I457-I459 VanDerWaalsContact C-N 3.28Å; I457-I459 PolarHBondContact O-N 3.3Å; I457-S460 WeakPolarHBondContact O-CB 3.16Å; I457-S460 PolarHBondContact O-N 3.25Å; I457-Y463 HydrophobicContact CG2-CD1 4.15Å; I457-Y463 HydrophobicContact CG2-CD2 3.86Å; I457-Y463 HydrophobicContact CG2-CE2 4.3Å; I457-Y463 HydrophobicContact CG2-CG 3.79Å; I457-Y463 WeakPolarHBondContact O-CB 3.47Å; I457-V516 HydrophobicContact CD1-CG2 4.48Å; I457-V516 HydrophobicContact CG1-CG1 4.42Å; I457-V516 HydrophobicContact CG1-CG2 3.65Å; I457-F520 HydrophobicContact CD1-CB 4.38Å; I457-Y524 HydrophobicContact CG2-CD1 4.28Å; I457-Y524 HydrophobicContact CG2-CG 4.37Å |
| 458 | M | 91.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 52 Ų | 52 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -27.6 | -177.8 | -66.7 | -54.3 | 111.2 | 0 | 0 | 113.2 | Y454 E455 Y463 K464 Y524 | Y454-M458 HydrophobicContact CD1-CG 4.4Å; Y454-M458 HydrophobicContact CD2-CE 4.12Å; Y454-M458 HydrophobicContact CD2-CG 4.47Å; Y454-M458 HydrophobicContact CE1-CG 3.92Å; Y454-M458 HydrophobicContact CE2-CE 3.71Å; Y454-M458 HydrophobicContact CE2-CG 4Å; Y454-M458 HydrophobicContact CE2-SD 4.14Å; Y454-M458 WeakPolarHBondContact O-CG 3.14Å; Y454-M458 PolarHBondContact O-N 2.65Å; E455-M458 PolarHBondContact O-N 2.98Å; M458-Y463 HydrophobicContact CE-CD1 4.41Å; M458-Y463 HydrophobicContact CE-CE1 3.91Å; M458-Y463 HydrophobicContact SD-CE1 4.29Å; M458-K464 WeakPolarHBondContact O-CD 3.44Å; M458-K464 WeakPolarHBondContact O-CE 3.45Å; M458-K464 PolarHBondContact O-NZ 3.32Å; M458-Y524 HydrophobicContact CE-CD1 3.74Å; M458-Y524 HydrophobicContact CE-CE1 3.32Å; M458-Y524 HydrophobicContact CE-CE2 4.44Å; M458-Y524 HydrophobicContact CE-CG 4.46Å |
| 459 | I | 89.2 | Confident | 89.5 | Confident | 110 Ų | 110 | 57.7 Ų | 57.7 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -93 | -10.7 | 174.5 | 68.4 | 179.4 | 0 | 0 | 0 | 113.6 | E455 N456 I457 P461 | E455-I459 WeakPolarHBondContact O-CG1 3.17Å; E455-I459 PolarHBondContact O-N 3.49Å; N456-I459 WeakPolarHBondContact O-CG1 3.32Å; N456-I459 PolarHBondContact O-N 2.99Å; I457-I459 VanDerWaalsContact C-N 3.28Å; I457-I459 PolarHBondContact O-N 3.3Å; I459-P461 WeakPolarHBondContact O-CD 3.19Å |
| 460 | S | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -60.6 | 125.5 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | N456 I457 Y462 Y463 K464 | N456-S460 WeakPolarHBondContact O-CB 3.28Å; N456-S460 PolarHBondContact O-N 3.01Å; I457-S460 WeakPolarHBondContact O-CB 3.16Å; I457-S460 PolarHBondContact O-N 3.25Å; S460-Y462 PolarHBondContact O-N 2.93Å; S460-Y462 PolarHBondContact OG-N 3.29Å; S460-Y463 PolarHBondContact O-N 3.3Å; S460-Y463 PolarHBondContact OG-N 3.04Å; S460-K464 WeakPolarHBondContact O-CB 3.24Å; S460-K464 PolarHBondContact O-N 2.61Å | ||
| 461 | P | 86 | Confident | 89.3 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.7 | -36.1 | 171.2 | -24.1 | 34.2 | 0 | 0 | 0 | 112.4 | I459 K464 N465 | I459-P461 WeakPolarHBondContact O-CD 3.19Å; P461-K464 PolarHBondContact O-N 2.9Å; P461-N465 WeakPolarHBondContact O-CB 3.48Å; P461-N465 PolarHBondContact O-N 3.45Å |
| 462 | Y | 93.5 | Very high | 89.5 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -62.6 | -44.7 | 178.7 | 179.8 | -121.1 | 0 | 0 | 0 | 111.4 | S460 T466 L467 E479 N483 C521 I522 | S460-Y462 PolarHBondContact O-N 2.93Å; S460-Y462 PolarHBondContact OG-N 3.29Å; Y462-T466 HydrophobicContact CD2-CG2 4.14Å; Y462-T466 HydrophobicContact CE2-CG2 3.81Å; Y462-T466 WeakPolarHBondContact O-CA 3.5Å; Y462-T466 VanDerWaalsContact O-CB 3.25Å; Y462-T466 WeakPolarHBondContact O-CB 3.47Å; Y462-T466 PolarHBondContact O-N 3.42Å; Y462-T466 VanDerWaalsContact O-N 3.1Å; Y462-L467 HydrophobicContact CD1-CD1 4.03Å; Y462-L467 HydrophobicContact CD1-CG 4.33Å; Y462-L467 HydrophobicContact CE1-CD1 3.7Å; Y462-L467 HydrophobicContact CE1-CD2 4.25Å; Y462-L467 HydrophobicContact CE1-CG 3.96Å; Y462-L467 HydrophobicContact CE2-CG 4.49Å; Y462-L467 PolarHBondContact O-N 3.15Å; Y462-E479 PolarHBondContact OH-OE2 2.83Å; Y462-N483 PolarHBondContact OH-ND2 3.41Å; Y462-C521 HydrophobicContact CD1-CB 3.91Å; Y462-C521 HydrophobicContact CE1-CB 4.24Å; Y462-I522 HydrophobicContact CE1-CD1 4.39Å; Y462-I522 HydrophobicContact CE1-CG1 4.25Å |
| 463 | Y | 94 | Very high | 89.7 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -68.8 | -43.5 | 176.5 | -175.2 | -100 | 0 | 0 | 0 | 112.6 | I457 M458 S460 L467 S468 Y524 K525 | I457-Y463 HydrophobicContact CG2-CD1 4.15Å; I457-Y463 HydrophobicContact CG2-CD2 3.86Å; I457-Y463 HydrophobicContact CG2-CE2 4.3Å; I457-Y463 HydrophobicContact CG2-CG 3.79Å; I457-Y463 WeakPolarHBondContact O-CB 3.47Å; M458-Y463 HydrophobicContact CE-CD1 4.41Å; M458-Y463 HydrophobicContact CE-CE1 3.91Å; M458-Y463 HydrophobicContact SD-CE1 4.29Å; S460-Y463 PolarHBondContact O-N 3.3Å; S460-Y463 PolarHBondContact OG-N 3.04Å; Y463-L467 HydrophobicContact CD2-CB 4.28Å; Y463-L467 HydrophobicContact CD2-CD1 4.02Å; Y463-S468 PolarHBondContact O-N 2.97Å; Y463-S468 VanDerWaalsContact O-N 3.15Å; Y463-Y524 AromaticContact CE2-CD1 3.79Å; Y463-Y524 HydrophobicContact CE2-CD1 3.79Å; Y463-Y524 AromaticContact CZ-CD1 3.72Å; Y463-Y524 AromaticContact CZ-CE1 3.98Å; Y463-Y524 WeakPolarHBondContact OH-CD1 3.49Å; Y463-Y524 WeakPolarHBondContact OH-CE1 3.1Å; Y463-K525 HydrophobicContact CE2-CB 4.36Å |
| 464 | K | 90.8 | Very high | 89.7 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 48% | 0.478 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -72.9 | -36.9 | -176.2 | -83.4 | 175.4 | 157.2 | 156.1 | 0 | 114.4 | M458 S460 P461 S468 | M458-K464 WeakPolarHBondContact O-CD 3.44Å; M458-K464 WeakPolarHBondContact O-CE 3.45Å; M458-K464 PolarHBondContact O-NZ 3.32Å; S460-K464 WeakPolarHBondContact O-CB 3.24Å; S460-K464 PolarHBondContact O-N 2.61Å; P461-K464 PolarHBondContact O-N 2.9Å; K464-S468 WeakPolarHBondContact O-CB 3.5Å; K464-S468 PolarHBondContact O-OG 3.32Å |
| 465 | N | 89.8 | Confident | 89.6 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -104.2 | -40.8 | -170.4 | -58.4 | -11.9 | 0 | 0 | 0 | 111.7 | P461 Q469 | P461-N465 WeakPolarHBondContact O-CB 3.48Å; P461-N465 PolarHBondContact O-N 3.45Å; N465-Q469 WeakPolarHBondContact O-CG 3.23Å; N465-Q469 PolarHBondContact O-NE2 3.43Å |
| 466 | T | 90.2 | Very high | 89.8 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -91 | -62.9 | -176.8 | -46.9 | 0 | 0 | 0 | 0 | 110.8 | Y462 S468 Q469 | Y462-T466 HydrophobicContact CD2-CG2 4.14Å; Y462-T466 HydrophobicContact CE2-CG2 3.81Å; Y462-T466 WeakPolarHBondContact O-CA 3.5Å; Y462-T466 VanDerWaalsContact O-CB 3.25Å; Y462-T466 WeakPolarHBondContact O-CB 3.47Å; Y462-T466 PolarHBondContact O-N 3.42Å; Y462-T466 VanDerWaalsContact O-N 3.1Å; T466-S468 PolarHBondContact O-N 3.03Å; T466-Q469 PolarHBondContact O-N 2.98Å; T466-Q469 VanDerWaalsContact O-N 3.11Å |
| 467 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.9 | -174.7 | -61.3 | 178.1 | 0 | 0 | 0 | 113.9 | Y462 Y463 Q469 E479 C521 I522 K525 | Y462-L467 HydrophobicContact CD1-CD1 4.03Å; Y462-L467 HydrophobicContact CD1-CG 4.33Å; Y462-L467 HydrophobicContact CE1-CD1 3.7Å; Y462-L467 HydrophobicContact CE1-CD2 4.25Å; Y462-L467 HydrophobicContact CE1-CG 3.96Å; Y462-L467 HydrophobicContact CE2-CG 4.49Å; Y462-L467 PolarHBondContact O-N 3.15Å; Y463-L467 HydrophobicContact CD2-CB 4.28Å; Y463-L467 HydrophobicContact CD2-CD1 4.02Å; L467-Q469 VanDerWaalsContact C-N 3.29Å; L467-E479 HydrophobicContact CD2-CB 4.37Å; L467-E479 HydrophobicContact CD2-CG 4.09Å; L467-C521 HydrophobicContact CD1-CB 3.76Å; L467-I522 HydrophobicContact CD1-CG1 3.86Å; L467-I522 HydrophobicContact CD2-CG1 4.01Å; L467-K525 HydrophobicContact CB-CD 4.44Å; L467-K525 HydrophobicContact CD1-CB 4.41Å; L467-K525 WeakPolarHBondContact O-CE 3.25Å; L467-K525 PolarHBondContact O-NZ 2.95Å |
| 468 | S | 84.6 | Confident | 89.5 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -31.1 | 172.8 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | Y463 K464 T466 | Y463-S468 PolarHBondContact O-N 2.97Å; Y463-S468 VanDerWaalsContact O-N 3.15Å; K464-S468 WeakPolarHBondContact O-CB 3.5Å; K464-S468 PolarHBondContact O-OG 3.32Å; T466-S468 PolarHBondContact O-N 3.03Å |
| 469 | Q | 86.4 | Confident | 89.7 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 72% | 0.724 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -23.8 | 179 | -59.2 | -178.5 | 9.9 | 0 | 0 | 112.6 | N465 T466 L467 V471 | N465-Q469 WeakPolarHBondContact O-CG 3.23Å; N465-Q469 PolarHBondContact O-NE2 3.43Å; T466-Q469 PolarHBondContact O-N 2.98Å; T466-Q469 VanDerWaalsContact O-N 3.11Å; L467-Q469 VanDerWaalsContact C-N 3.29Å; Q469-V471 WeakPolarHBondContact O-CG2 3.31Å; Q469-V471 PolarHBondContact O-N 3.49Å |
| 470 | V | 86.8 | Confident | 89.9 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | trans | -75.2 | 118.1 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | E475 V476 E479 K525 | V470-E475 HydrophobicContact CG1-CB 3.6Å; V470-V476 HydrophobicContact CG1-CB 4.38Å; V470-V476 HydrophobicContact CG1-CG2 3.45Å; V470-V476 VanDerWaalsContact CG1-CG2 3.45Å; V470-E479 HydrophobicContact CG2-CG 4.02Å; V470-K525 WeakPolarHBondContact O-CE 3.2Å; V470-K525 PolarHBondContact O-NZ 3.34Å | ||
| 471 | V | 84.9 | Confident | 89.9 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 61% | 0.606 | 32% | 0.315 | S | S | * | . | trans | -118.4 | -30.2 | -174.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | Q469 E475 L529 | Q469-V471 WeakPolarHBondContact O-CG2 3.31Å; Q469-V471 PolarHBondContact O-N 3.49Å; V471-E475 PolarHBondContact N-OE2 3.46Å; V471-L529 VanDerWaalsContact O-CD2 3.31Å; V471-L529 WeakPolarHBondContact O-CD2 3.38Å | ||
| 472 | T | 88.1 | Confident | 90 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -92.2 | 154.4 | -174.5 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | H474 E475 V476 | T472-H474 VanDerWaalsContact C-N 3.3Å; T472-H474 PolarHBondContact O-N 2.86Å; T472-E475 WeakPolarHBondContact CG2-OE1 3.32Å; T472-E475 PolarHBondContact N-OE2 3.46Å; T472-E475 VanDerWaalsContact N-OE2 3.12Å; T472-E475 PolarHBondContact O-N 3.33Å; T472-E475 WeakPolarHBondContact OG1-CG 3.23Å; T472-E475 PolarHBondContact OG1-N 2.97Å; T472-E475 PolarHBondContact OG1-OE1 3.2Å; T472-E475 PolarHBondContact OG1-OE2 2.76Å; T472-V476 WeakPolarHBondContact O-CG2 3.46Å; T472-V476 PolarHBondContact O-N 2.84Å |
| 473 | Y | 89.6 | Confident | 89.9 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 176.2 | 163.5 | -101.9 | 0 | 0 | 0 | 112.4 | V476 L477 L531 Q535 S538 M539 | Y473-V476 PolarHBondContact O-N 2.81Å; Y473-L477 HydrophobicContact CD1-CD1 4.42Å; Y473-L477 HydrophobicContact CE1-CD1 3.65Å; Y473-L477 HydrophobicContact CE1-CG 4.17Å; Y473-L477 HydrophobicContact CE2-CD1 4.37Å; Y473-L477 HydrophobicContact CE2-CD2 3.97Å; Y473-L477 HydrophobicContact CE2-CG 4.19Å; Y473-L477 PolarHBondContact O-N 3.27Å; Y473-L477 VanDerWaalsContact O-N 3.09Å; Y473-L531 HydrophobicContact CD2-CD2 3.89Å; Y473-L531 HydrophobicContact CE2-CD2 4.26Å; Y473-Q535 VanDerWaalsContact CB-NE2 3.35Å; Y473-Q535 HydrophobicContact CD1-CG 4.05Å; Y473-Q535 HydrophobicContact CD2-CB 3.96Å; Y473-Q535 HydrophobicContact CD2-CG 3.89Å; Y473-Q535 HydrophobicContact CE1-CB 4.47Å; Y473-Q535 HydrophobicContact CE1-CG 4.12Å; Y473-Q535 HydrophobicContact CE2-CB 3.66Å; Y473-Q535 HydrophobicContact CE2-CG 3.98Å; Y473-Q535 HydrophobicContact CG-CB 4.48Å; Y473-Q535 HydrophobicContact CG-CG 3.92Å; Y473-Q535 PolarHBondContact OH-O 2.9Å; Y473-S538 WeakPolarHBondContact OH-CB 3.12Å; Y473-M539 HydrophobicContact CE2-CG 4.03Å; Y473-M539 HydrophobicContact CE2-SD 4.14Å; Y473-M539 WeakPolarHBondContact OH-CG 3.26Å |
| 474 | H | 88.8 | Confident | 90 | Very high | 127 Ų | 127 | 63.1 Ų | 63.1 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | -178.7 | -67.1 | -69.3 | 0 | 0 | 0 | 112 | T472 V476 L477 D478 | T472-H474 VanDerWaalsContact C-N 3.3Å; T472-H474 PolarHBondContact O-N 2.86Å; H474-V476 PolarHBondContact O-N 2.95Å; H474-L477 WeakPolarHBondContact O-CA 3.26Å; H474-L477 WeakPolarHBondContact O-CB 3.49Å; H474-L477 PolarHBondContact O-N 2.87Å; H474-D478 PolarHBondContact O-N 2.83Å |
| 475 | E | 90.8 | Very high | 89.9 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -36.5 | 173 | -71.4 | 155.5 | -150.8 | 0 | 0 | 111.9 | V470 V471 T472 D478 E479 | V470-E475 HydrophobicContact CG1-CB 3.6Å; V471-E475 PolarHBondContact N-OE2 3.46Å; T472-E475 WeakPolarHBondContact CG2-OE1 3.32Å; T472-E475 PolarHBondContact N-OE2 3.46Å; T472-E475 VanDerWaalsContact N-OE2 3.12Å; T472-E475 PolarHBondContact O-N 3.33Å; T472-E475 WeakPolarHBondContact OG1-CG 3.23Å; T472-E475 PolarHBondContact OG1-N 2.97Å; T472-E475 PolarHBondContact OG1-OE1 3.2Å; T472-E475 PolarHBondContact OG1-OE2 2.76Å; E475-D478 PolarHBondContact O-N 3.32Å; E475-E479 WeakPolarHBondContact O-CG 3.43Å; E475-E479 PolarHBondContact O-N 2.9Å |
| 476 | V | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | V470 T472 Y473 H474 D478 E479 I480 I522 K525 L526 L529 | V470-V476 HydrophobicContact CG1-CB 4.38Å; V470-V476 HydrophobicContact CG1-CG2 3.45Å; V470-V476 VanDerWaalsContact CG1-CG2 3.45Å; T472-V476 WeakPolarHBondContact O-CG2 3.46Å; T472-V476 PolarHBondContact O-N 2.84Å; Y473-V476 PolarHBondContact O-N 2.81Å; H474-V476 PolarHBondContact O-N 2.95Å; V476-D478 VanDerWaalsContact C-N 3.32Å; V476-D478 PolarHBondContact O-N 3.37Å; V476-E479 PolarHBondContact O-N 3.03Å; V476-I480 HydrophobicContact CG1-CD1 4.36Å; V476-I480 VanDerWaalsContact O-CG1 3.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.36Å; V476-I480 PolarHBondContact O-N 3.32Å; V476-I522 HydrophobicContact CG1-CG2 3.61Å; V476-K525 HydrophobicContact CG2-CG 4.12Å; V476-L526 HydrophobicContact CB-CD2 4.37Å; V476-L526 HydrophobicContact CG1-CD2 3.55Å; V476-L526 HydrophobicContact CG1-CG 3.94Å; V476-L529 HydrophobicContact CG2-CD1 3.59Å |
| 477 | L | 92.2 | Very high | 90.5 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.1 | -64.5 | -170.9 | 0 | 0 | 0 | 111.8 | Y473 H474 E479 I480 Y481 M539 I548 | Y473-L477 HydrophobicContact CD1-CD1 4.42Å; Y473-L477 HydrophobicContact CE1-CD1 3.65Å; Y473-L477 HydrophobicContact CE1-CG 4.17Å; Y473-L477 HydrophobicContact CE2-CD1 4.37Å; Y473-L477 HydrophobicContact CE2-CD2 3.97Å; Y473-L477 HydrophobicContact CE2-CG 4.19Å; Y473-L477 PolarHBondContact O-N 3.27Å; Y473-L477 VanDerWaalsContact O-N 3.09Å; H474-L477 WeakPolarHBondContact O-CA 3.26Å; H474-L477 WeakPolarHBondContact O-CB 3.49Å; H474-L477 PolarHBondContact O-N 2.87Å; L477-E479 VanDerWaalsContact C-N 3.35Å; L477-I480 HydrophobicContact CD2-CD1 4.23Å; L477-I480 WeakPolarHBondContact O-CB 3.32Å; L477-I480 PolarHBondContact O-N 3.19Å; L477-Y481 WeakPolarHBondContact O-CB 3.35Å; L477-Y481 PolarHBondContact O-N 3.2Å; L477-M539 HydrophobicContact CD2-CE 4.35Å; L477-M539 HydrophobicContact CD2-CG 3.89Å; L477-M539 HydrophobicContact CD2-SD 4.35Å; L477-I548 HydrophobicContact CB-CD1 4.36Å; L477-I548 HydrophobicContact CD2-CG2 3.88Å |
| 478 | D | 87.4 | Confident | 90.6 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.6 | -66.4 | -21.4 | 0 | 0 | 0 | 110.5 | H474 E475 V476 I480 Y481 Y482 | H474-D478 PolarHBondContact O-N 2.83Å; E475-D478 PolarHBondContact O-N 3.32Å; V476-D478 VanDerWaalsContact C-N 3.32Å; V476-D478 PolarHBondContact O-N 3.37Å; D478-I480 VanDerWaalsContact C-N 3.29Å; D478-I480 PolarHBondContact O-N 3.09Å; D478-Y481 WeakPolarHBondContact O-CB 3.46Å; D478-Y481 PolarHBondContact O-N 3.19Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; D478-Y482 HydrophobicContact CB-CD2 4.41Å; D478-Y482 HydrophobicContact CB-CE2 4.39Å; D478-Y482 WeakPolarHBondContact O-CD2 3.48Å; D478-Y482 PolarHBondContact O-N 3.17Å |
| 479 | E | 93.7 | Very high | 90.9 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 174.1 | -76.1 | -67.5 | 131.7 | 0 | 0 | 112.7 | Y462 L467 V470 E475 V476 L477 N483 I522 | Y462-E479 PolarHBondContact OH-OE2 2.83Å; L467-E479 HydrophobicContact CD2-CB 4.37Å; L467-E479 HydrophobicContact CD2-CG 4.09Å; V470-E479 HydrophobicContact CG2-CG 4.02Å; E475-E479 WeakPolarHBondContact O-CG 3.43Å; E475-E479 PolarHBondContact O-N 2.9Å; V476-E479 PolarHBondContact O-N 3.03Å; L477-E479 VanDerWaalsContact C-N 3.35Å; E479-N483 VanDerWaalsContact O-CB 3.29Å; E479-N483 WeakPolarHBondContact O-CB 3.49Å; E479-N483 PolarHBondContact O-N 3.22Å; E479-N483 PolarHBondContact O-ND2 3.35Å; E479-N483 PolarHBondContact OE2-ND2 3.19Å; E479-I522 HydrophobicContact CB-CD1 4.24Å |
| 480 | I | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 173.3 | -61.2 | 167.2 | 0 | 0 | 0 | 110.1 | V476 L477 D478 Y482 V484 I522 L526 M539 I548 L551 | V476-I480 HydrophobicContact CG1-CD1 4.36Å; V476-I480 VanDerWaalsContact O-CG1 3.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.36Å; V476-I480 PolarHBondContact O-N 3.32Å; L477-I480 HydrophobicContact CD2-CD1 4.23Å; L477-I480 WeakPolarHBondContact O-CB 3.32Å; L477-I480 PolarHBondContact O-N 3.19Å; D478-I480 VanDerWaalsContact C-N 3.29Å; D478-I480 PolarHBondContact O-N 3.09Å; I480-Y482 VanDerWaalsContact C-N 3.27Å; I480-Y482 PolarHBondContact O-N 3.17Å; I480-V484 HydrophobicContact CB-CG2 4.42Å; I480-V484 HydrophobicContact CG2-CB 4.07Å; I480-V484 HydrophobicContact CG2-CG2 4.12Å; I480-V484 WeakPolarHBondContact O-CB 3.04Å; I480-V484 PolarHBondContact O-N 3.11Å; I480-V484 VanDerWaalsContact O-N 3.13Å; I480-I522 HydrophobicContact CD1-CG2 4.01Å; I480-I522 HydrophobicContact CG1-CD1 4.25Å; I480-I522 HydrophobicContact CG1-CG2 3.55Å; I480-L526 HydrophobicContact CD1-CD1 4.32Å; I480-M539 HydrophobicContact CD1-CE 3.89Å; I480-I548 HydrophobicContact CB-CG1 3.87Å; I480-I548 HydrophobicContact CD1-CG1 4.48Å; I480-I548 HydrophobicContact CG2-CB 4.3Å; I480-I548 HydrophobicContact CG2-CG1 3.51Å; I480-L551 HydrophobicContact CB-CD1 4.39Å; I480-L551 HydrophobicContact CD1-CB 4.48Å; I480-L551 HydrophobicContact CD1-CD1 3.8Å; I480-L551 HydrophobicContact CG1-CD1 3.68Å; I480-L551 HydrophobicContact CG2-CD1 3.81Å |
| 481 | Y | 90.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 35% | 0.345 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.5 | -38.7 | -176.1 | -176.5 | -91.5 | 0 | 0 | 0 | 112.5 | L477 D478 D544 | L477-Y481 WeakPolarHBondContact O-CB 3.35Å; L477-Y481 PolarHBondContact O-N 3.2Å; D478-Y481 WeakPolarHBondContact O-CB 3.46Å; D478-Y481 PolarHBondContact O-N 3.19Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; Y481-D544 HydrophobicContact CE2-CB 4.32Å |
| 482 | Y | 86.8 | Confident | 91 | Very high | 129 Ų | 129 | 50.9 Ų | 50.9 | 51% | 0.506 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -94 | -27.2 | -176.1 | -68.4 | -65.6 | 0 | 0 | 0 | 115.1 | D478 I480 | D478-Y482 HydrophobicContact CB-CD2 4.41Å; D478-Y482 HydrophobicContact CB-CE2 4.39Å; D478-Y482 WeakPolarHBondContact O-CD2 3.48Å; D478-Y482 PolarHBondContact O-N 3.17Å; I480-Y482 VanDerWaalsContact C-N 3.27Å; I480-Y482 PolarHBondContact O-N 3.17Å |
| 483 | N | 92.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -119 | -2.1 | -169 | -59.3 | -55.3 | 0 | 0 | 0 | 114.8 | Y462 E479 S518 | Y462-N483 PolarHBondContact OH-ND2 3.41Å; E479-N483 VanDerWaalsContact O-CB 3.29Å; E479-N483 WeakPolarHBondContact O-CB 3.49Å; E479-N483 PolarHBondContact O-N 3.22Å; E479-N483 PolarHBondContact O-ND2 3.35Å; E479-N483 PolarHBondContact OE2-ND2 3.19Å; N483-S518 VanDerWaalsContact O-CB 3.29Å; N483-S518 WeakPolarHBondContact O-CB 3.47Å; N483-S518 PolarHBondContact O-OG 3.14Å |
| 484 | V | 94.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | trans | -113.6 | 117.4 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | I480 H486 L487 A519 I522 Y547 L551 | I480-V484 HydrophobicContact CB-CG2 4.42Å; I480-V484 HydrophobicContact CG2-CB 4.07Å; I480-V484 HydrophobicContact CG2-CG2 4.12Å; I480-V484 WeakPolarHBondContact O-CB 3.04Å; I480-V484 PolarHBondContact O-N 3.11Å; I480-V484 VanDerWaalsContact O-N 3.13Å; V484-H486 WeakPolarHBondContact CG1-O 3.31Å; V484-L487 HydrophobicContact CG1-CD2 4.36Å; V484-A519 HydrophobicContact CG1-CB 3.89Å; V484-I522 HydrophobicContact CG2-CD1 3.49Å; V484-I522 VanDerWaalsContact CG2-CD1 3.49Å; V484-Y547 HydrophobicContact CG1-CD1 4.21Å; V484-Y547 HydrophobicContact CG1-CG 4.26Å; V484-Y547 WeakPolarHBondContact O-CD2 3.29Å; V484-L551 HydrophobicContact CG1-CD1 4.38Å; V484-L551 HydrophobicContact CG2-CD1 4.22Å | ||
| 485 | D | 90.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -126 | -1.1 | 179.4 | 60.2 | -2 | 0 | 0 | 0 | 113.3 | Y547 H817 | D485-Y547 VanDerWaalsContact C-CZ 3.44Å; D485-Y547 VanDerWaalsContact O-CE1 3.27Å; D485-Y547 WeakPolarHBondContact O-CE1 3.49Å; D485-Y547 PolarHBondContact O-OH 3.35Å; D485-H817 IonicContact OD2-CE1 3.08Å; D485-H817 PolarHBondContact OD2-CE1 3.26Å; D485-H817 IonicContact OD2-ND1 3.9Å; D485-H817 IonicContact OD2-NE2 3.39Å |
| 486 | H | 96.3 | Very high | 87 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | trans | -153.2 | 170.2 | 172.5 | 70.1 | 80 | 0 | 0 | 0 | 111.2 | V484 E488 W490 E491 S517 A519 K582 | V484-H486 WeakPolarHBondContact CG1-O 3.31Å; H486-E488 PolarHBondContact ND1-N 2.76Å; H486-E488 VanDerWaalsContact ND1-N 3.19Å; H486-W490 PolarHBondContact CE1-O 3.47Å; H486-E491 IonicContact NE2-OE1 2.68Å; H486-E491 IonicContact NE2-OE2 2.8Å; H486-S517 VanDerWaalsContact CE1-CB 3.48Å; H486-S517 WeakPolarHBondContact CE1-CB 3.26Å; H486-A519 VanDerWaalsContact O-CB 3.28Å; H486-A519 WeakPolarHBondContact O-CB 3.13Å; H486-K582 WeakPolarHBondContact CB-O 3.48Å | ||
| 487 | L | 96.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -119.4 | 15.3 | -179 | -58.4 | 178.7 | 0 | 0 | 0 | 113.4 | V484 F520 Y547 L551 M554 I579 P581 M594 W604 | V484-L487 HydrophobicContact CG1-CD2 4.36Å; L487-F520 WeakPolarHBondContact O-CE2 3.05Å; L487-Y547 HydrophobicContact CD2-CD1 4.29Å; L487-Y547 HydrophobicContact CG-CD1 4.33Å; L487-L551 HydrophobicContact CD2-CD2 4.09Å; L487-L551 HydrophobicContact CD2-CG 4.01Å; L487-M554 HydrophobicContact CB-CE 3.99Å; L487-M554 HydrophobicContact CB-SD 4.29Å; L487-M554 HydrophobicContact CD2-SD 4.46Å; L487-M554 WeakPolarHBondContact O-CE 3.23Å; L487-I579 HydrophobicContact CD1-CD1 3.78Å; L487-P581 CarbonylContact C-O 3.51Å; L487-P581 HydrophobicContact CB-CB 4.16Å; L487-P581 PolarHBondContact N-O 3.26Å; L487-M594 HydrophobicContact CD1-SD 3.73Å; L487-W604 HydrophobicContact CB-CZ2 4.25Å; L487-W604 PolarHBondContact O-NE1 3.35Å | ||
| 488 | E | 92.8 | Very high | 82.5 | Confident | 29 Ų | 29 | 66 Ų | 66 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | trans | -71.6 | 155.1 | 167.8 | -61.4 | -158 | -160.9 | 0 | 0 | 113.8 | H486 S517 P581 K582 A583 Y605 | H486-E488 PolarHBondContact ND1-N 2.76Å; H486-E488 VanDerWaalsContact ND1-N 3.19Å; E488-S517 VanDerWaalsContact O-CB 3.25Å; E488-S517 WeakPolarHBondContact O-CB 2.86Å; E488-S517 PolarHBondContact O-OG 2.68Å; E488-P581 WeakPolarHBondContact CG-O 3.13Å; E488-P581 PolarHBondContact N-O 3.46Å; E488-K582 WeakPolarHBondContact OE1-CA 3.26Å; E488-K582 WeakPolarHBondContact OE1-CG 3.32Å; E488-A583 HydrophobicContact CB-CB 4.04Å; E488-A583 VanDerWaalsContact CD-N 3.25Å; E488-A583 HydrophobicContact CG-CB 3.92Å; E488-A583 PolarHBondContact OE1-N 3.01Å; E488-Y605 VanDerWaalsContact CD-CD1 3.46Å; E488-Y605 HydrophobicContact CG-CD1 3.71Å; E488-Y605 HydrophobicContact CG-CD2 4.1Å; E488-Y605 HydrophobicContact CG-CE1 4.41Å; E488-Y605 HydrophobicContact CG-CG 3.53Å; E488-Y605 WeakPolarHBondContact OE1-CD1 3.29Å | ||
| 489 | P | 90.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -72.6 | -19.3 | 174.6 | 27.3 | -34.2 | 0 | 0 | 0 | 115.4 | V453 V516 S517 F520 Y605 T607 | V453-P489 HydrophobicContact CG1-CB 4.48Å; V453-P489 HydrophobicContact CG2-CB 4.25Å; P489-V516 WeakPolarHBondContact O-CA 3.48Å; P489-S517 PolarHBondContact O-N 3.16Å; P489-F520 VanDerWaalsContact CA-CD2 3.44Å; P489-F520 HydrophobicContact CB-CD1 4.19Å; P489-F520 HydrophobicContact CB-CD2 4.04Å; P489-F520 HydrophobicContact CB-CE1 4.09Å; P489-F520 HydrophobicContact CB-CE2 3.94Å; P489-F520 HydrophobicContact CB-CG 4.15Å; P489-F520 HydrophobicContact CB-CZ 3.96Å; P489-Y605 WeakPolarHBondContact CG-O 3.43Å; P489-T607 HydrophobicContact CG-CG2 4.03Å |
| 490 | W | 89.7 | Confident | 77.7 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 144.4 | -174.5 | -52.8 | 106 | 0 | 0 | 0 | 111.1 | L452 V453 N456 H486 R495 G514 V515 V516 | L452-W490 HydrophobicContact CD2-CH2 4.23Å; L452-W490 HydrophobicContact CD2-CZ2 3.98Å; L452-W490 HydrophobicContact CG-CH2 3.97Å; L452-W490 HydrophobicContact CG-CZ2 4.13Å; V453-W490 HydrophobicContact CG2-CH2 4.26Å; V453-W490 HydrophobicContact CG2-CZ2 3.76Å; N456-W490 HydrophobicContact CB-CH2 4.18Å; N456-W490 HydrophobicContact CB-CZ3 3.91Å; H486-W490 PolarHBondContact CE1-O 3.47Å; W490-R495 HydrophobicContact CG-CG 4.31Å; W490-G514 VanDerWaalsContact CE3-C 3.45Å; W490-G514 VanDerWaalsContact CE3-N 3.33Å; W490-G514 VanDerWaalsContact CZ3-N 3.35Å; W490-G514 WeakPolarHBondContact CZ3-O 3.45Å; W490-V515 CarbonylContact C-O 3.59Å; W490-V515 WeakPolarHBondContact CA-O 3.24Å; W490-V516 HydrophobicContact CZ3-CB 4.37Å |
| 491 | E | 87.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | trans | -67.5 | 145.5 | 171.6 | -68.9 | -62.8 | 153.6 | 0 | 0 | 111.3 | H486 G493 T494 V515 S517 S518 | H486-E491 IonicContact NE2-OE1 2.68Å; H486-E491 IonicContact NE2-OE2 2.8Å; E491-G493 PolarHBondContact O-N 3Å; E491-T494 HydrophobicContact CB-CG2 3.83Å; E491-T494 PolarHBondContact O-N 2.66Å; E491-T494 PolarHBondContact O-OG1 3.19Å; E491-V515 HydrophobicContact CB-CB 4.18Å; E491-V515 HydrophobicContact CB-CG1 4.45Å; E491-V515 HydrophobicContact CG-CB 4.24Å; E491-V515 HydrophobicContact CG-CG1 3.97Å; E491-V515 PolarHBondContact N-O 3.09Å; E491-S517 VanDerWaalsContact OE1-CA 3.27Å; E491-S517 WeakPolarHBondContact OE1-CA 3.23Å; E491-S518 PolarHBondContact OE1-N 2.74Å | ||
| 492 | R | 82.2 | Confident | 72.1 | Confident | 185 Ų | 185 | 76.1 Ų | 76.1 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.1 | -177.8 | -174.8 | -169 | 179.7 | 171.3 | -3.3 | 111.7 | T494 A583 | R492-T494 PolarHBondContact O-N 3.26Å; R492-T494 VanDerWaalsContact O-N 3.11Å; R492-A583 HydrophobicContact CB-CB 4.39Å |
| 493 | G | 74.4 | Confident | 69.6 | Low | 79 Ų | 79 | 79.6 Ų | 79.6 | 81% | 0.814 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -2.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E491 R495 | E491-G493 PolarHBondContact O-N 3Å; G493-R495 VanDerWaalsContact C-N 3.34Å |
| 494 | T | 74.5 | Confident | 66.8 | Low | 51 Ų | 51 | 80.9 Ų | 80.9 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | trans | -84.8 | -8.8 | -177 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | E491 R492 V515 | E491-T494 HydrophobicContact CB-CG2 3.83Å; E491-T494 PolarHBondContact O-N 2.66Å; E491-T494 PolarHBondContact O-OG1 3.19Å; R492-T494 PolarHBondContact O-N 3.26Å; R492-T494 VanDerWaalsContact O-N 3.11Å; T494-V515 HydrophobicContact CG2-CB 3.83Å; T494-V515 HydrophobicContact CG2-CG2 3.74Å; T494-V515 PolarHBondContact OG1-N 2.93Å | ||
| 495 | R | 69.5 | Low | 64 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | trans | -94.5 | 133 | 176.8 | -91.8 | -169.1 | 127 | 179.8 | 5.8 | 112.9 | W490 G493 T497 G511 A512 T606 | W490-R495 HydrophobicContact CG-CG 4.31Å; G493-R495 VanDerWaalsContact C-N 3.34Å; R495-T497 PolarHBondContact O-N 2.62Å; R495-G511 PolarHBondContact NH2-O 3.03Å; R495-A512 PolarHBondContact NE-O 2.96Å; R495-A512 PolarHBondContact NH2-O 3.42Å; R495-T606 PolarHBondContact NH1-OG1 2.8Å | ||
| 496 | K | 54.8 | Low | 61.4 | Low | 177 Ų | 177 | 84.2 Ų | 84.2 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | trans | -86.7 | 93.8 | 164.3 | -63.6 | -174.5 | -177.6 | -178.6 | 0 | 109.4 | T498 | K496-T498 VanDerWaalsContact C-N 3.32Š| ||
| 497 | T | 51.1 | Low | 58.6 | Low | 124 Ų | 124 | 88.3 Ų | 88.3 | 76% | 0.761 | 54% | 0.539 | S | S | * | . | trans | -79.7 | -19.5 | 169 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | R495 | R495-T497 PolarHBondContact O-N 2.62Š| ||
| 498 | T | 40.9 | Very low | 56 | Low | 127 Ų | 127 | 99.6 Ų | 99.6 | 78% | 0.779 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -84 | 113.4 | -177.3 | 37.6 | 0 | 0 | 0 | 0 | 112.2 | K496 | K496-T498 VanDerWaalsContact C-N 3.32Š|
| 499 | G | 42.3 | Very low | 53.6 | Low | 73 Ų | 73 | 99.5 Ų | 99.5 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | trans | 112.9 | 14.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 500 | Q | 38.5 | Very low | 51.3 | Low | 159 Ų | 159 | 103.8 Ų | 103.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -109.4 | 91.1 | 175.9 | -73 | -168.4 | -25.2 | 0 | 0 | 113.4 | G502 | Q500-G502 VanDerWaalsContact C-N 3.27Š| ||
| 501 | T | 34.8 | Very low | 49.3 | Very low | 147 Ų | 147 | 105 Ų | 105 | 90% | 0.902 | 63% | 0.63 | S | S | * | * | trans | -90.1 | 26.9 | 165.4 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 502 | G | 33.8 | Very low | 47.5 | Very low | 50 Ų | 50 | 104 Ų | 104 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -73.1 | 159.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q500 C504 G505 | Q500-G502 VanDerWaalsContact C-N 3.27Å; G502-C504 PolarHBondContact O-N 3.11Å; G502-G505 PolarHBondContact O-N 3.19Å |
| 503 | M | 34.3 | Very low | 46.4 | Very low | 203 Ų | 203 | 96.8 Ų | 96.8 | 100% | 1 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -11.4 | -172.6 | -71.1 | -158.4 | -76.2 | 0 | 0 | 116.2 | ||
| 504 | C | 33.1 | Very low | 46.5 | Very low | 98 Ų | 98 | 93.5 Ų | 93.5 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -0.7 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | G502 G506 V507 | G502-C504 PolarHBondContact O-N 3.11Å; C504-G506 PolarHBondContact O-N 3.32Å; C504-V507 PolarHBondContact O-N 2.94Å; C504-V507 VanDerWaalsContact O-N 3.17Å |
| 505 | G | 35.7 | Very low | 47 | Very low | 64 Ų | 64 | 95.1 Ų | 95.1 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -11 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G502 | G502-G505 PolarHBondContact O-N 3.19Š|
| 506 | G | 35.8 | Very low | 48.1 | Very low | 72 Ų | 72 | 92.9 Ų | 92.9 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -10.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C504 R508 | C504-G506 PolarHBondContact O-N 3.32Å; G506-R508 PolarHBondContact O-N 3.38Å |
| 507 | V | 37.5 | Very low | 50 | Low | 90 Ų | 90 | 84.4 Ų | 84.4 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -87.9 | 97.6 | -175.9 | -166.7 | 0 | 0 | 0 | 0 | 110 | C504 G509 V510 | C504-V507 PolarHBondContact O-N 2.94Å; C504-V507 VanDerWaalsContact O-N 3.17Å; V507-G509 PolarHBondContact O-N 2.75Å; V507-V510 HydrophobicContact CB-CB 4.46Å; V507-V510 HydrophobicContact CB-CG2 4.28Å; V507-V510 HydrophobicContact CG1-CB 4.43Å; V507-V510 HydrophobicContact CG1-CG2 3.73Å; V507-V510 PolarHBondContact O-N 3.27Å; V507-V510 VanDerWaalsContact O-N 3.16Å |
| 508 | R | 42.4 | Very low | 52.1 | Low | 237 Ų | 237 | 79.2 Ų | 79.2 | 89% | 0.894 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 121.6 | 179.7 | -75.6 | -177.1 | 173.6 | -173 | -2.7 | 111.5 | G506 | G506-R508 PolarHBondContact O-N 3.38Š|
| 509 | G | 42.6 | Very low | 54.8 | Low | 26 Ų | 26 | 73.1 Ų | 73.1 | 27% | 0.268 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N450 V507 | N450-G509 PolarHBondContact ND2-O 2.99Å; V507-G509 PolarHBondContact O-N 2.75Å |
| 510 | V | 41.5 | Very low | 57.3 | Low | 90 Ų | 90 | 69.7 Ų | 69.7 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | trans | -114.3 | 56.8 | -179 | -161.1 | 0 | 0 | 0 | 0 | 110.2 | V507 | V507-V510 HydrophobicContact CB-CB 4.46Å; V507-V510 HydrophobicContact CB-CG2 4.28Å; V507-V510 HydrophobicContact CG1-CB 4.43Å; V507-V510 HydrophobicContact CG1-CG2 3.73Å; V507-V510 PolarHBondContact O-N 3.27Å; V507-V510 VanDerWaalsContact O-N 3.16Å | ||
| 511 | G | 47 | Very low | 60.1 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | trans | -92 | 158 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L452 R495 G513 | L452-G511 WeakPolarHBondContact CD2-O 3.23Å; R495-G511 PolarHBondContact NH2-O 3.03Å; G511-G513 PolarHBondContact O-N 3.35Å | ||
| 512 | A | 51.7 | Low | 63.1 | Low | 38 Ų | 38 | 55.1 Ų | 55.1 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | trans | -41.5 | 132.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R495 | R495-A512 PolarHBondContact NE-O 2.96Å; R495-A512 PolarHBondContact NH2-O 3.42Å | ||
| 513 | G | 58.6 | Low | 66.1 | Low | 34 Ų | 34 | 52.7 Ų | 52.7 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | trans | -64.1 | 154.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G511 | G511-G513 PolarHBondContact O-N 3.35Š| ||
| 514 | G | 75.2 | Confident | 69.1 | Low | 10 Ų | 10 | 43.9 Ų | 43.9 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | trans | -118.1 | -166.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W490 V516 | W490-G514 VanDerWaalsContact CE3-C 3.45Å; W490-G514 VanDerWaalsContact CE3-N 3.33Å; W490-G514 VanDerWaalsContact CZ3-N 3.35Å; W490-G514 WeakPolarHBondContact CZ3-O 3.45Å; G514-V516 PolarHBondContact O-N 3.02Å | ||
| 515 | V | 85.4 | Confident | 72.1 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -75 | 125.2 | 167.2 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | W490 E491 T494 | W490-V515 CarbonylContact C-O 3.59Å; W490-V515 WeakPolarHBondContact CA-O 3.24Å; E491-V515 HydrophobicContact CB-CB 4.18Å; E491-V515 HydrophobicContact CB-CG1 4.45Å; E491-V515 HydrophobicContact CG-CB 4.24Å; E491-V515 HydrophobicContact CG-CG1 3.97Å; E491-V515 PolarHBondContact N-O 3.09Å; T494-V515 HydrophobicContact CG2-CB 3.83Å; T494-V515 HydrophobicContact CG2-CG2 3.74Å; T494-V515 PolarHBondContact OG1-N 2.93Å |
| 516 | V | 92.1 | Very high | 74.9 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 141.8 | 179 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | V453 N456 I457 P489 W490 G514 F520 | V453-V516 HydrophobicContact CG1-CG2 4.36Å; N456-V516 HydrophobicContact CB-CB 4.02Å; N456-V516 HydrophobicContact CB-CG1 4.25Å; I457-V516 HydrophobicContact CD1-CG2 4.48Å; I457-V516 HydrophobicContact CG1-CG1 4.42Å; I457-V516 HydrophobicContact CG1-CG2 3.65Å; P489-V516 WeakPolarHBondContact O-CA 3.48Å; W490-V516 HydrophobicContact CZ3-CB 4.37Å; G514-V516 PolarHBondContact O-N 3.02Å; V516-F520 HydrophobicContact CG2-CB 4.13Å |
| 517 | S | 95.2 | Very high | 77.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 153.9 | -176.2 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | H486 E488 P489 E491 A519 F520 C521 | H486-S517 VanDerWaalsContact CE1-CB 3.48Å; H486-S517 WeakPolarHBondContact CE1-CB 3.26Å; E488-S517 VanDerWaalsContact O-CB 3.25Å; E488-S517 WeakPolarHBondContact O-CB 2.86Å; E488-S517 PolarHBondContact O-OG 2.68Å; P489-S517 PolarHBondContact O-N 3.16Å; E491-S517 VanDerWaalsContact OE1-CA 3.27Å; E491-S517 WeakPolarHBondContact OE1-CA 3.23Å; S517-A519 PolarHBondContact O-N 2.9Å; S517-F520 PolarHBondContact O-N 2.72Å; S517-F520 PolarHBondContact OG-N 3Å; S517-C521 PolarHBondContact O-N 3.47Å; S517-C521 VanDerWaalsContact O-N 3.11Å |
| 518 | S | 95.4 | Very high | 80.3 | Confident | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.5 | -42.7 | 169.4 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | N483 E491 F520 C521 I522 | N483-S518 VanDerWaalsContact O-CB 3.29Å; N483-S518 WeakPolarHBondContact O-CB 3.47Å; N483-S518 PolarHBondContact O-OG 3.14Å; E491-S518 PolarHBondContact OE1-N 2.74Å; S518-F520 PolarHBondContact O-N 3.07Å; S518-C521 PolarHBondContact O-N 3.29Å; S518-I522 WeakPolarHBondContact O-CB 3.19Å; S518-I522 WeakPolarHBondContact O-CG1 3.17Å; S518-I522 PolarHBondContact O-N 2.98Å |
| 519 | A | 97.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.2 | -48.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V484 H486 S517 I522 L523 L551 | V484-A519 HydrophobicContact CG1-CB 3.89Å; H486-A519 VanDerWaalsContact O-CB 3.28Å; H486-A519 WeakPolarHBondContact O-CB 3.13Å; S517-A519 PolarHBondContact O-N 2.9Å; A519-I522 PolarHBondContact O-N 2.9Å; A519-L523 WeakPolarHBondContact O-CB 3.26Å; A519-L523 PolarHBondContact O-N 3.02Å; A519-L551 HydrophobicContact CB-CD2 4.37Å |
| 520 | F | 96.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.8 | -32.4 | -179.1 | -92.1 | -109.5 | 0 | 0 | 0 | 112.8 | L449 V453 I457 L487 P489 V516 S517 S518 I522 Y524 M554 Y558 T607 | L449-F520 HydrophobicContact CD2-CD1 3.71Å; L449-F520 HydrophobicContact CD2-CE1 3.63Å; V453-F520 HydrophobicContact CG1-CD1 3.78Å; V453-F520 HydrophobicContact CG1-CE1 4.45Å; V453-F520 HydrophobicContact CG1-CG 4.47Å; I457-F520 HydrophobicContact CD1-CB 4.38Å; L487-F520 WeakPolarHBondContact O-CE2 3.05Å; P489-F520 VanDerWaalsContact CA-CD2 3.44Å; P489-F520 HydrophobicContact CB-CD1 4.19Å; P489-F520 HydrophobicContact CB-CD2 4.04Å; P489-F520 HydrophobicContact CB-CE1 4.09Å; P489-F520 HydrophobicContact CB-CE2 3.94Å; P489-F520 HydrophobicContact CB-CG 4.15Å; P489-F520 HydrophobicContact CB-CZ 3.96Å; V516-F520 HydrophobicContact CG2-CB 4.13Å; S517-F520 PolarHBondContact O-N 2.72Å; S517-F520 PolarHBondContact OG-N 3Å; S518-F520 PolarHBondContact O-N 3.07Å; F520-I522 VanDerWaalsContact C-N 3.35Å; F520-Y524 WeakPolarHBondContact O-CB 3.44Å; F520-Y524 PolarHBondContact O-N 3.28Å; F520-Y524 VanDerWaalsContact O-N 3.09Å; F520-M554 HydrophobicContact CE2-CE 4.13Å; F520-M554 HydrophobicContact CE2-SD 4.37Å; F520-M554 HydrophobicContact CZ-CE 4.36Å; F520-Y558 HydrophobicContact CZ-CE2 4.45Å; F520-T607 HydrophobicContact CE1-CG2 4.49Å; F520-T607 HydrophobicContact CZ-CG2 4.19Å |
| 521 | C | 96.8 | Very high | 87 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 169.3 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | Y462 L467 S517 S518 K525 | Y462-C521 HydrophobicContact CD1-CB 3.91Å; Y462-C521 HydrophobicContact CE1-CB 4.24Å; L467-C521 HydrophobicContact CD1-CB 3.76Å; S517-C521 PolarHBondContact O-N 3.47Å; S517-C521 VanDerWaalsContact O-N 3.11Å; S518-C521 PolarHBondContact O-N 3.29Å; C521-K525 PolarHBondContact O-N 3.17Å |
| 522 | I | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.6 | -39.4 | 178.9 | -65.9 | 163 | 0 | 0 | 0 | 111.7 | Y462 L467 V476 E479 I480 V484 S518 A519 F520 Y524 K525 L526 L551 | Y462-I522 HydrophobicContact CE1-CD1 4.39Å; Y462-I522 HydrophobicContact CE1-CG1 4.25Å; L467-I522 HydrophobicContact CD1-CG1 3.86Å; L467-I522 HydrophobicContact CD2-CG1 4.01Å; V476-I522 HydrophobicContact CG1-CG2 3.61Å; E479-I522 HydrophobicContact CB-CD1 4.24Å; I480-I522 HydrophobicContact CD1-CG2 4.01Å; I480-I522 HydrophobicContact CG1-CD1 4.25Å; I480-I522 HydrophobicContact CG1-CG2 3.55Å; V484-I522 HydrophobicContact CG2-CD1 3.49Å; V484-I522 VanDerWaalsContact CG2-CD1 3.49Å; S518-I522 WeakPolarHBondContact O-CB 3.19Å; S518-I522 WeakPolarHBondContact O-CG1 3.17Å; S518-I522 PolarHBondContact O-N 2.98Å; A519-I522 PolarHBondContact O-N 2.9Å; F520-I522 VanDerWaalsContact C-N 3.35Å; I522-Y524 VanDerWaalsContact C-N 3.26Å; I522-Y524 PolarHBondContact O-N 2.72Å; I522-K525 CarbonylContact O-C 3.55Å; I522-K525 WeakPolarHBondContact O-CA 3.18Å; I522-K525 WeakPolarHBondContact O-CB 2.82Å; I522-K525 PolarHBondContact O-N 3.46Å; I522-L526 HydrophobicContact CG2-CD1 4.32Å; I522-L526 HydrophobicContact CG2-CG 4.33Å; I522-L526 WeakPolarHBondContact O-CG 3.38Å; I522-L526 PolarHBondContact O-N 2.69Å; I522-L551 HydrophobicContact CB-CD1 4.48Å; I522-L551 HydrophobicContact CG2-CD1 4.2Å |
| 523 | L | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.2 | -44.6 | 174.6 | -174.5 | 63.2 | 0 | 0 | 0 | 111 | M447 A519 L526 F527 L551 M554 Y558 | M447-L523 HydrophobicContact CE-CB 4.31Å; M447-L523 HydrophobicContact CE-CD2 3.71Å; M447-L523 HydrophobicContact CE-CG 3.59Å; M447-L523 HydrophobicContact SD-CG 4.15Å; A519-L523 WeakPolarHBondContact O-CB 3.26Å; A519-L523 PolarHBondContact O-N 3.02Å; L523-L526 PolarHBondContact O-N 2.98Å; L523-F527 PolarHBondContact O-N 3.16Å; L523-L551 HydrophobicContact CB-CD2 4.05Å; L523-L551 HydrophobicContact CD1-CD2 4.26Å; L523-M554 HydrophobicContact CD1-CB 3.9Å; L523-M554 HydrophobicContact CD2-CB 4.04Å; L523-M554 HydrophobicContact CD2-SD 4.21Å; L523-Y558 HydrophobicContact CD2-CD2 3.79Å; L523-Y558 HydrophobicContact CD2-CE2 4.1Å; L523-Y558 HydrophobicContact CD2-CG 4.45Å |
| 524 | Y | 96.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 174.4 | -169.1 | -92.3 | 0 | 0 | 0 | 112 | Q445 M447 L449 Y454 I457 M458 Y463 F520 I522 F527 T528 | Q445-Y524 PolarHBondContact O-OH 3.06Å; M447-Y524 HydrophobicContact CB-CD2 3.86Å; M447-Y524 HydrophobicContact CB-CE2 4.01Å; M447-Y524 HydrophobicContact SD-CD2 4.35Å; L449-Y524 HydrophobicContact CD1-CD2 3.9Å; Y454-Y524 AromaticContact CD2-CE2 3.88Å; Y454-Y524 HydrophobicContact CD2-CE2 3.88Å; Y454-Y524 AromaticContact CE2-CE2 3.82Å; Y454-Y524 HydrophobicContact CE2-CE2 3.82Å; Y454-Y524 AromaticContact CE2-CZ 3.74Å; Y454-Y524 WeakPolarHBondContact CE2-OH 3.48Å; I457-Y524 HydrophobicContact CG2-CD1 4.28Å; I457-Y524 HydrophobicContact CG2-CG 4.37Å; M458-Y524 HydrophobicContact CE-CD1 3.74Å; M458-Y524 HydrophobicContact CE-CE1 3.32Å; M458-Y524 HydrophobicContact CE-CE2 4.44Å; M458-Y524 HydrophobicContact CE-CG 4.46Å; Y463-Y524 AromaticContact CE2-CD1 3.79Å; Y463-Y524 HydrophobicContact CE2-CD1 3.79Å; Y463-Y524 AromaticContact CZ-CD1 3.72Å; Y463-Y524 AromaticContact CZ-CE1 3.98Å; Y463-Y524 WeakPolarHBondContact OH-CD1 3.49Å; Y463-Y524 WeakPolarHBondContact OH-CE1 3.1Å; F520-Y524 WeakPolarHBondContact O-CB 3.44Å; F520-Y524 PolarHBondContact O-N 3.28Å; F520-Y524 VanDerWaalsContact O-N 3.09Å; I522-Y524 VanDerWaalsContact C-N 3.26Å; I522-Y524 PolarHBondContact O-N 2.72Å; Y524-F527 HydrophobicContact CD2-CD1 4.25Å; Y524-F527 AromaticContact CE2-CD1 3.98Å; Y524-F527 HydrophobicContact CE2-CD1 3.98Å; Y524-F527 HydrophobicContact CE2-CE1 4.17Å; Y524-F527 WeakPolarHBondContact O-CB 3.43Å; Y524-F527 PolarHBondContact O-N 3.36Å; Y524-T528 HydrophobicContact CD1-CG2 4.11Å; Y524-T528 HydrophobicContact CE1-CG2 3.74Å; Y524-T528 WeakPolarHBondContact O-CG2 3.34Å; Y524-T528 PolarHBondContact O-N 3.05Å |
| 525 | K | 95.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 173.6 | -178 | 65.8 | -175.8 | -164.1 | 0 | 112.2 | Y463 L467 V470 V476 C521 I522 F527 T528 L529 | Y463-K525 HydrophobicContact CE2-CB 4.36Å; L467-K525 HydrophobicContact CB-CD 4.44Å; L467-K525 HydrophobicContact CD1-CB 4.41Å; L467-K525 WeakPolarHBondContact O-CE 3.25Å; L467-K525 PolarHBondContact O-NZ 2.95Å; V470-K525 WeakPolarHBondContact O-CE 3.2Å; V470-K525 PolarHBondContact O-NZ 3.34Å; V476-K525 HydrophobicContact CG2-CG 4.12Å; C521-K525 PolarHBondContact O-N 3.17Å; I522-K525 CarbonylContact O-C 3.55Å; I522-K525 WeakPolarHBondContact O-CA 3.18Å; I522-K525 WeakPolarHBondContact O-CB 2.82Å; I522-K525 PolarHBondContact O-N 3.46Å; K525-F527 VanDerWaalsContact C-N 3.25Å; K525-F527 PolarHBondContact O-N 2.91Å; K525-T528 PolarHBondContact O-N 3.38Å; K525-T528 PolarHBondContact O-OG1 2.8Å; K525-L529 PolarHBondContact O-N 2.92Å; K525-L529 VanDerWaalsContact O-N 3.08Å |
| 526 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 176.1 | -71.5 | 167.4 | 0 | 0 | 0 | 111.6 | V476 I480 I522 L523 L529 K530 L531 M539 Y555 | V476-L526 HydrophobicContact CB-CD2 4.37Å; V476-L526 HydrophobicContact CG1-CD2 3.55Å; V476-L526 HydrophobicContact CG1-CG 3.94Å; I480-L526 HydrophobicContact CD1-CD1 4.32Å; I522-L526 HydrophobicContact CG2-CD1 4.32Å; I522-L526 HydrophobicContact CG2-CG 4.33Å; I522-L526 WeakPolarHBondContact O-CG 3.38Å; I522-L526 PolarHBondContact O-N 2.69Å; L523-L526 PolarHBondContact O-N 2.98Å; L526-L529 PolarHBondContact O-N 3.2Å; L526-K530 PolarHBondContact O-N 3.08Å; L526-L531 HydrophobicContact CB-CD1 4.4Å; L526-L531 HydrophobicContact CD2-CD1 4.24Å; L526-L531 HydrophobicContact CD2-CD2 4.04Å; L526-M539 HydrophobicContact CD1-CE 3.72Å; L526-M539 HydrophobicContact CD1-SD 4.37Å; L526-M539 HydrophobicContact CD2-CE 4.41Å; L526-M539 HydrophobicContact CD2-SD 4.23Å; L526-Y555 HydrophobicContact CB-CD2 3.99Å; L526-Y555 HydrophobicContact CB-CE2 4.15Å |
| 527 | F | 93.9 | Very high | 92 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 173.3 | 159.7 | -105.9 | 0 | 0 | 0 | 112.6 | F440 K444 M447 L523 Y524 K525 L529 K530 Y555 | F440-F527 HydrophobicContact CD1-CE2 4.05Å; F440-F527 AromaticContact CD2-CD2 3.59Å; F440-F527 HydrophobicContact CD2-CD2 3.59Å; F440-F527 AromaticContact CD2-CE2 3.37Å; F440-F527 HydrophobicContact CD2-CE2 3.37Å; F440-F527 HydrophobicContact CE1-CE2 4.08Å; F440-F527 AromaticContact CE2-CD2 3.65Å; F440-F527 HydrophobicContact CE2-CD2 3.65Å; F440-F527 AromaticContact CE2-CE2 3.42Å; F440-F527 HydrophobicContact CE2-CE2 3.42Å; F440-F527 VanDerWaalsContact CE2-CE2 3.42Å; F440-F527 HydrophobicContact CE2-CZ 4.32Å; F440-F527 HydrophobicContact CG-CD2 4.3Å; F440-F527 AromaticContact CG-CE2 3.71Å; F440-F527 HydrophobicContact CG-CE2 3.71Å; F440-F527 HydrophobicContact CZ-CD2 4.42Å; F440-F527 AromaticContact CZ-CE2 3.78Å; F440-F527 HydrophobicContact CZ-CE2 3.78Å; F440-F527 HydrophobicContact CZ-CZ 4.31Å; K444-F527 VanDerWaalsContact O-CZ 3.27Å; K444-F527 WeakPolarHBondContact O-CZ 3.21Å; M447-F527 HydrophobicContact CB-CB 4.4Å; M447-F527 HydrophobicContact CB-CD1 3.76Å; M447-F527 HydrophobicContact CB-CD2 4.37Å; M447-F527 HydrophobicContact CB-CE1 4.11Å; M447-F527 HydrophobicContact CB-CG 3.9Å; M447-F527 HydrophobicContact CG-CB 3.66Å; M447-F527 HydrophobicContact CG-CD1 3.96Å; M447-F527 HydrophobicContact CG-CD2 3.91Å; M447-F527 HydrophobicContact CG-CG 3.55Å; M447-F527 HydrophobicContact SD-CB 3.28Å; M447-F527 WeakPolarHBondContact SD-CB 3.49Å; M447-F527 HydrophobicContact SD-CD1 4.32Å; M447-F527 HydrophobicContact SD-CG 3.86Å; L523-F527 PolarHBondContact O-N 3.16Å; Y524-F527 HydrophobicContact CD2-CD1 4.25Å; Y524-F527 AromaticContact CE2-CD1 3.98Å; Y524-F527 HydrophobicContact CE2-CD1 3.98Å; Y524-F527 HydrophobicContact CE2-CE1 4.17Å; Y524-F527 WeakPolarHBondContact O-CB 3.43Å; Y524-F527 PolarHBondContact O-N 3.36Å; K525-F527 VanDerWaalsContact C-N 3.25Å; K525-F527 PolarHBondContact O-N 2.91Å; F527-L529 VanDerWaalsContact C-N 3.28Å; F527-L529 PolarHBondContact O-N 3.29Å; F527-K530 PolarHBondContact O-N 3.08Å; F527-K530 VanDerWaalsContact O-N 3.13Å; F527-Y555 HydrophobicContact CB-CE2 4.4Å |
| 528 | T | 91.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 178.3 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | Y524 K525 K530 | Y524-T528 HydrophobicContact CD1-CG2 4.11Å; Y524-T528 HydrophobicContact CE1-CG2 3.74Å; Y524-T528 WeakPolarHBondContact O-CG2 3.34Å; Y524-T528 PolarHBondContact O-N 3.05Å; K525-T528 PolarHBondContact O-N 3.38Å; K525-T528 PolarHBondContact O-OG1 2.8Å; T528-K530 VanDerWaalsContact C-N 3.3Å |
| 529 | L | 89.8 | Confident | 91.3 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 29% | 0.293 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -76.5 | -15.6 | 176.4 | -68.4 | -179.2 | 0 | 0 | 0 | 113.7 | V471 V476 K525 L526 F527 | V471-L529 VanDerWaalsContact O-CD2 3.31Å; V471-L529 WeakPolarHBondContact O-CD2 3.38Å; V476-L529 HydrophobicContact CG2-CD1 3.59Å; K525-L529 PolarHBondContact O-N 2.92Å; K525-L529 VanDerWaalsContact O-N 3.08Å; L526-L529 PolarHBondContact O-N 3.2Å; F527-L529 VanDerWaalsContact C-N 3.28Å; F527-L529 PolarHBondContact O-N 3.29Å |
| 530 | K | 87.5 | Confident | 91 | Very high | 139 Ų | 139 | 37.2 Ų | 37.2 | 60% | 0.604 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 83.3 | -179.2 | -53.5 | 178.6 | 178.1 | 170.6 | 0 | 113.1 | T437 L526 F527 T528 | T437-K530 HydrophobicContact CG2-CB 3.49Å; T437-K530 VanDerWaalsContact CG2-CB 3.49Å; T437-K530 HydrophobicContact CG2-CD 4.45Å; T437-K530 WeakPolarHBondContact CG2-O 3.43Å; L526-K530 PolarHBondContact O-N 3.08Å; F527-K530 PolarHBondContact O-N 3.08Å; F527-K530 VanDerWaalsContact O-N 3.13Å; T528-K530 VanDerWaalsContact C-N 3.3Å |
| 531 | L | 91.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -58 | 141.2 | -177.5 | -61.4 | -179.1 | 0 | 0 | 0 | 113.5 | L438 Y473 L526 Q535 M539 Y555 | L438-L531 WeakPolarHBondContact CB-O 3Å; L438-L531 PolarHBondContact N-O 2.79Å; Y473-L531 HydrophobicContact CD2-CD2 3.89Å; Y473-L531 HydrophobicContact CE2-CD2 4.26Å; L526-L531 HydrophobicContact CB-CD1 4.4Å; L526-L531 HydrophobicContact CD2-CD1 4.24Å; L526-L531 HydrophobicContact CD2-CD2 4.04Å; L531-Q535 HydrophobicContact CD2-CB 4.24Å; L531-M539 HydrophobicContact CD1-SD 3.88Å; L531-Y555 HydrophobicContact CB-CE1 4.24Å; L531-Y555 HydrophobicContact CD1-CD1 4.14Å; L531-Y555 HydrophobicContact CD1-CD2 3.92Å; L531-Y555 HydrophobicContact CD1-CE1 4.1Å; L531-Y555 HydrophobicContact CD1-CE2 3.86Å; L531-Y555 HydrophobicContact CD1-CG 4.05Å; L531-Y555 HydrophobicContact CG-CE1 4.46Å; L531-Y555 HydrophobicContact CG-CE2 4.04Å; L531-Y555 PolarHBondContact N-OH 2.92Å | ||
| 532 | T | 88.2 | Confident | 89.7 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 161.6 | 165 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | N436 K534 Q535 L536 | N436-T532 WeakPolarHBondContact O-CA 3.37Å; N436-T532 WeakPolarHBondContact O-CB 3.37Å; T532-K534 VanDerWaalsContact C-N 3.26Å; T532-K534 PolarHBondContact O-N 3.35Å; T532-Q535 PolarHBondContact O-N 3.17Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.38Å; T532-Q535 PolarHBondContact OG1-N 2.88Å; T532-Q535 PolarHBondContact OG1-OE1 3.18Å; T532-L536 PolarHBondContact O-N 3.11Å; T532-L536 VanDerWaalsContact O-N 3.11Å |
| 533 | R | 83.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 42% | 0.419 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.2 | -40.8 | 176.7 | -172.1 | 173.9 | 175.8 | -106.2 | -8.5 | 112.4 | L438 L536 I537 Y567 W568 | L438-R533 HydrophobicContact CD2-CB 4.04Å; L438-R533 HydrophobicContact CD2-CG 4.4Å; L438-R533 HydrophobicContact CG-CB 4.49Å; R533-L536 PolarHBondContact O-N 2.97Å; R533-I537 HydrophobicContact CG-CD1 3.97Å; R533-I537 VanDerWaalsContact O-CG1 3.29Å; R533-I537 WeakPolarHBondContact O-CG1 3.35Å; R533-I537 PolarHBondContact O-N 3.18Å; R533-Y567 PolarHBondContact NH2-OH 2.76Å; R533-W568 HydrophobicContact CG-CH2 3.83Å; R533-W568 HydrophobicContact CG-CZ2 4.26Å |
| 534 | K | 77.3 | Confident | 87.5 | Confident | 164 Ų | 164 | 51.6 Ų | 51.6 | 71% | 0.713 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 179.5 | -71.7 | -172.2 | 175.9 | -173.4 | 0 | 112.4 | T532 I537 S538 | T532-K534 VanDerWaalsContact C-N 3.26Å; T532-K534 PolarHBondContact O-N 3.35Å; K534-I537 PolarHBondContact O-N 2.62Å; K534-S538 WeakPolarHBondContact O-CB 3.39Å; K534-S538 PolarHBondContact O-N 3.49Å |
| 535 | Q | 91.2 | Very high | 87.1 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 177.7 | -75.5 | 165.2 | -40.1 | 0 | 0 | 111.6 | Y473 L531 T532 S538 M539 | Y473-Q535 VanDerWaalsContact CB-NE2 3.35Å; Y473-Q535 HydrophobicContact CD1-CG 4.05Å; Y473-Q535 HydrophobicContact CD2-CB 3.96Å; Y473-Q535 HydrophobicContact CD2-CG 3.89Å; Y473-Q535 HydrophobicContact CE1-CB 4.47Å; Y473-Q535 HydrophobicContact CE1-CG 4.12Å; Y473-Q535 HydrophobicContact CE2-CB 3.66Å; Y473-Q535 HydrophobicContact CE2-CG 3.98Å; Y473-Q535 HydrophobicContact CG-CB 4.48Å; Y473-Q535 HydrophobicContact CG-CG 3.92Å; Y473-Q535 PolarHBondContact OH-O 2.9Å; L531-Q535 HydrophobicContact CD2-CB 4.24Å; T532-Q535 PolarHBondContact O-N 3.17Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.38Å; T532-Q535 PolarHBondContact OG1-N 2.88Å; T532-Q535 PolarHBondContact OG1-OE1 3.18Å; Q535-S538 WeakPolarHBondContact O-CB 3.48Å; Q535-S538 PolarHBondContact O-N 3.01Å; Q535-M539 WeakPolarHBondContact O-CG 3.39Å; Q535-M539 PolarHBondContact O-N 2.81Å |
| 536 | L | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.3 | 179.9 | 60.8 | 0 | 0 | 0 | 111.5 | L438 T532 R533 S538 M539 L540 Y555 V556 L560 W568 | L438-L536 HydrophobicContact CD1-CB 3.9Å; L438-L536 HydrophobicContact CD1-CD2 3.49Å; L438-L536 VanDerWaalsContact CD1-CD2 3.49Å; L438-L536 HydrophobicContact CD1-CG 4.36Å; T532-L536 PolarHBondContact O-N 3.11Å; T532-L536 VanDerWaalsContact O-N 3.11Å; R533-L536 PolarHBondContact O-N 2.97Å; L536-S538 PolarHBondContact O-N 2.68Å; L536-M539 WeakPolarHBondContact O-CB 3.2Å; L536-M539 PolarHBondContact O-N 3.25Å; L536-L540 HydrophobicContact CD1-CD2 4.41Å; L536-L540 HydrophobicContact CD1-CG 4.38Å; L536-L540 HydrophobicContact CG-CD1 4.47Å; L536-L540 HydrophobicContact CG-CG 4.5Å; L536-L540 WeakPolarHBondContact O-CG 3.2Å; L536-L540 PolarHBondContact O-N 2.87Å; L536-Y555 HydrophobicContact CD1-CD1 4.1Å; L536-Y555 HydrophobicContact CD2-CD1 4.34Å; L536-V556 HydrophobicContact CD1-CG2 4.23Å; L536-V556 HydrophobicContact CD2-CG2 3.9Å; L536-V556 HydrophobicContact CG-CG2 4.47Å; L536-L560 HydrophobicContact CD2-CD1 3.91Å; L536-W568 HydrophobicContact CB-CH2 4.38Å; L536-W568 HydrophobicContact CB-CZ3 4.46Å; L536-W568 HydrophobicContact CD2-CD2 4.38Å; L536-W568 HydrophobicContact CD2-CE3 4.08Å; L536-W568 HydrophobicContact CD2-CH2 3.57Å; L536-W568 HydrophobicContact CD2-CZ2 3.94Å; L536-W568 HydrophobicContact CD2-CZ3 3.66Å; L536-W568 HydrophobicContact CG-CE3 4.48Å; L536-W568 HydrophobicContact CG-CH2 4.11Å; L536-W568 HydrophobicContact CG-CZ3 3.88Å |
| 537 | I | 81.3 | Confident | 87 | Confident | 53 Ų | 53 | 53 Ų | 53 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 175.2 | -69.9 | 171.8 | 0 | 0 | 0 | 111.2 | R533 K534 M539 L540 N541 W568 | R533-I537 HydrophobicContact CG-CD1 3.97Å; R533-I537 VanDerWaalsContact O-CG1 3.29Å; R533-I537 WeakPolarHBondContact O-CG1 3.35Å; R533-I537 PolarHBondContact O-N 3.18Å; K534-I537 PolarHBondContact O-N 2.62Å; I537-M539 VanDerWaalsContact C-N 3.33Å; I537-L540 PolarHBondContact O-N 3.5Å; I537-N541 WeakPolarHBondContact CG2-ND2 3.49Å; I537-N541 WeakPolarHBondContact O-CB 3.35Å; I537-N541 PolarHBondContact O-N 3.36Å; I537-N541 VanDerWaalsContact O-N 3.16Å; I537-N541 PolarHBondContact O-ND2 2.62Å; I537-W568 HydrophobicContact CD1-CZ3 4.48Å; I537-W568 HydrophobicContact CG1-CH2 4.05Å; I537-W568 HydrophobicContact CG1-CZ3 3.67Å |
| 538 | S | 81.1 | Confident | 87.1 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 176 | -169 | 0 | 0 | 0 | 0 | 112.4 | Y473 K534 Q535 L536 H542 | Y473-S538 WeakPolarHBondContact OH-CB 3.12Å; K534-S538 WeakPolarHBondContact O-CB 3.39Å; K534-S538 PolarHBondContact O-N 3.49Å; Q535-S538 WeakPolarHBondContact O-CB 3.48Å; Q535-S538 PolarHBondContact O-N 3.01Å; L536-S538 PolarHBondContact O-N 2.68Å; S538-H542 PolarHBondContact O-N 3.03Å |
| 539 | M | 93.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.9 | -47.3 | 173.7 | -67.9 | 179.6 | 71.4 | 0 | 0 | 111.9 | Y473 L477 I480 L526 L531 Q535 L536 I537 N541 H542 I548 R549 L551 | Y473-M539 HydrophobicContact CE2-CG 4.03Å; Y473-M539 HydrophobicContact CE2-SD 4.14Å; Y473-M539 WeakPolarHBondContact OH-CG 3.26Å; L477-M539 HydrophobicContact CD2-CE 4.35Å; L477-M539 HydrophobicContact CD2-CG 3.89Å; L477-M539 HydrophobicContact CD2-SD 4.35Å; I480-M539 HydrophobicContact CD1-CE 3.89Å; L526-M539 HydrophobicContact CD1-CE 3.72Å; L526-M539 HydrophobicContact CD1-SD 4.37Å; L526-M539 HydrophobicContact CD2-CE 4.41Å; L526-M539 HydrophobicContact CD2-SD 4.23Å; L531-M539 HydrophobicContact CD1-SD 3.88Å; Q535-M539 WeakPolarHBondContact O-CG 3.39Å; Q535-M539 PolarHBondContact O-N 2.81Å; L536-M539 WeakPolarHBondContact O-CB 3.2Å; L536-M539 PolarHBondContact O-N 3.25Å; I537-M539 VanDerWaalsContact C-N 3.33Å; M539-N541 PolarHBondContact O-N 2.81Å; M539-N541 VanDerWaalsContact O-N 3.16Å; M539-H542 WeakPolarHBondContact O-CB 3.3Å; M539-H542 PolarHBondContact O-N 3.4Å; M539-H542 VanDerWaalsContact O-N 3.16Å; M539-I548 HydrophobicContact CB-CG2 4.13Å; M539-I548 HydrophobicContact CE-CG2 4.35Å; M539-I548 WeakPolarHBondContact CE-O 3.47Å; M539-I548 HydrophobicContact CG-CG2 4.15Å; M539-R549 WeakPolarHBondContact O-CA 3.22Å; M539-R549 WeakPolarHBondContact O-CG 3.4Å; M539-L551 HydrophobicContact CE-CB 4.24Å |
| 540 | L | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -25.9 | -178.9 | -59.5 | -176.2 | 0 | 0 | 0 | 113 | L536 I537 R549 G552 F553 W568 Y572 | L536-L540 HydrophobicContact CD1-CD2 4.41Å; L536-L540 HydrophobicContact CD1-CG 4.38Å; L536-L540 HydrophobicContact CG-CD1 4.47Å; L536-L540 HydrophobicContact CG-CG 4.5Å; L536-L540 WeakPolarHBondContact O-CG 3.2Å; L536-L540 PolarHBondContact O-N 2.87Å; I537-L540 PolarHBondContact O-N 3.5Å; L540-R549 PolarHBondContact O-NE 2.98Å; L540-R549 PolarHBondContact O-NH2 3.34Å; L540-R549 VanDerWaalsContact O-NH2 3.1Å; L540-G552 VanDerWaalsContact CD2-C 3.4Å; L540-F553 HydrophobicContact CB-CZ 4.42Å; L540-F553 HydrophobicContact CD1-CE1 4.34Å; L540-F553 HydrophobicContact CD2-CD1 3.52Å; L540-F553 HydrophobicContact CD2-CD2 4.23Å; L540-F553 HydrophobicContact CD2-CE1 3.6Å; L540-F553 HydrophobicContact CD2-CE2 4.27Å; L540-F553 HydrophobicContact CD2-CG 3.86Å; L540-F553 HydrophobicContact CD2-CZ 3.97Å; L540-F553 HydrophobicContact CG-CE1 4.35Å; L540-W568 HydrophobicContact CD1-CE3 3.64Å; L540-W568 HydrophobicContact CD1-CZ3 4.01Å; L540-Y572 HydrophobicContact CB-CE1 4.23Å; L540-Y572 HydrophobicContact CB-CE2 4.22Å; L540-Y572 WeakPolarHBondContact CB-OH 3.37Å; L540-Y572 HydrophobicContact CD1-CE2 4.03Å; L540-Y572 WeakPolarHBondContact O-CE1 3.27Å |
| 541 | N | 82 | Confident | 88.2 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 15.2 | -179.3 | -63 | -48.9 | 0 | 0 | 0 | 113.6 | R392 I537 M539 S543 Y572 | R392-N541 PolarHBondContact NH2-OD1 2.91Å; I537-N541 WeakPolarHBondContact CG2-ND2 3.49Å; I537-N541 WeakPolarHBondContact O-CB 3.35Å; I537-N541 PolarHBondContact O-N 3.36Å; I537-N541 VanDerWaalsContact O-N 3.16Å; I537-N541 PolarHBondContact O-ND2 2.62Å; M539-N541 PolarHBondContact O-N 2.81Å; M539-N541 VanDerWaalsContact O-N 3.16Å; N541-S543 PolarHBondContact O-N 3.41Å; N541-Y572 PolarHBondContact ND2-OH 3.38Å; N541-Y572 VanDerWaalsContact OD1-CE1 3.3Å; N541-Y572 WeakPolarHBondContact OD1-CE1 3.18Å; N541-Y572 PolarHBondContact OD1-OH 3.24Å |
| 542 | H | 82.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | trans | -65.3 | 128.8 | -179.1 | -155.6 | -78.9 | 0 | 0 | 0 | 110.2 | S538 M539 D544 I548 R549 | S538-H542 PolarHBondContact O-N 3.03Å; M539-H542 WeakPolarHBondContact O-CB 3.3Å; M539-H542 PolarHBondContact O-N 3.4Å; M539-H542 VanDerWaalsContact O-N 3.16Å; H542-D544 IonicContact CE1-OD2 3.07Å; H542-D544 PolarHBondContact ND1-N 2.93Å; H542-I548 HydrophobicContact CB-CB 4.18Å; H542-I548 HydrophobicContact CB-CG2 3.7Å; H542-R549 HydrophobicContact CB-CG 4.1Å; H542-R549 VanDerWaalsContact O-CD 3.25Å; H542-R549 WeakPolarHBondContact O-CD 3.06Å; H542-R549 WeakPolarHBondContact O-CG 3.4Å | ||
| 543 | S | 75.2 | Confident | 88.9 | Confident | 99 Ų | 99 | 39.6 Ų | 39.6 | 69% | 0.692 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -84.3 | -23.5 | -176.4 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | N541 | N541-S543 PolarHBondContact O-N 3.41Š|
| 544 | D | 74.6 | Confident | 89.5 | Confident | 109 Ų | 109 | 34.3 Ų | 34.3 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -98.5 | -12 | -163.6 | -48.1 | -21 | 0 | 0 | 0 | 113.7 | Y481 H542 | Y481-D544 HydrophobicContact CE2-CB 4.32Å; H542-D544 IonicContact CE1-OD2 3.07Å; H542-D544 PolarHBondContact ND1-N 2.93Å |
| 545 | S | 87.1 | Confident | 90.5 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | -154.9 | 119.4 | -178.6 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | Y547 I548 R549 | S545-Y547 PolarHBondContact O-N 2.67Å; S545-Y547 PolarHBondContact OG-N 2.94Å; S545-I548 PolarHBondContact O-N 3.15Å; S545-I548 PolarHBondContact OG-N 3.19Å; S545-R549 PolarHBondContact O-N 2.75Å | ||
| 546 | C | 91.9 | Very high | 90.7 | Very high | 20 Ų | 20 | 24.1 Ų | 24.1 | 14% | 0.135 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -28.5 | 173.6 | 62 | 0 | 0 | 0 | 0 | 112 | R549 G550 E577 I579 | C546-R549 WeakPolarHBondContact O-CB 3.5Å; C546-R549 PolarHBondContact O-N 3.33Å; C546-G550 PolarHBondContact O-N 3.4Å; C546-E577 HydrophobicContact CB-CG 4.13Å; C546-I579 HydrophobicContact CB-CB 4.25Å; C546-I579 HydrophobicContact CB-CD1 4.36Å; C546-I579 HydrophobicContact CB-CG1 4.35Å; C546-I579 WeakPolarHBondContact O-CD1 3.03Å |
| 547 | Y | 97.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 13% | 0.129 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.9 | -32.4 | 177.1 | -63.3 | -72.9 | 0 | 0 | 0 | 113.4 | V484 D485 L487 S545 R549 G550 L551 I579 D580 | V484-Y547 HydrophobicContact CG1-CD1 4.21Å; V484-Y547 HydrophobicContact CG1-CG 4.26Å; V484-Y547 WeakPolarHBondContact O-CD2 3.29Å; D485-Y547 VanDerWaalsContact C-CZ 3.44Å; D485-Y547 VanDerWaalsContact O-CE1 3.27Å; D485-Y547 WeakPolarHBondContact O-CE1 3.49Å; D485-Y547 PolarHBondContact O-OH 3.35Å; L487-Y547 HydrophobicContact CD2-CD1 4.29Å; L487-Y547 HydrophobicContact CG-CD1 4.33Å; S545-Y547 PolarHBondContact O-N 2.67Å; S545-Y547 PolarHBondContact OG-N 2.94Å; Y547-R549 VanDerWaalsContact C-N 3.31Å; Y547-G550 PolarHBondContact O-N 3.09Å; Y547-L551 PolarHBondContact O-N 3.48Å; Y547-I579 HydrophobicContact CD1-CD1 4.09Å; Y547-I579 HydrophobicContact CD1-CG1 4.21Å; Y547-I579 HydrophobicContact CE1-CD1 4.34Å; Y547-I579 HydrophobicContact CE1-CG1 3.96Å; Y547-D580 WeakPolarHBondContact CE1-O 3.25Å; Y547-D580 PolarHBondContact OH-O 3.1Å |
| 548 | I | 97 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 169 | -67.5 | 175.9 | 0 | 0 | 0 | 109.9 | L477 I480 M539 H542 S545 G552 | L477-I548 HydrophobicContact CB-CD1 4.36Å; L477-I548 HydrophobicContact CD2-CG2 3.88Å; I480-I548 HydrophobicContact CB-CG1 3.87Å; I480-I548 HydrophobicContact CD1-CG1 4.48Å; I480-I548 HydrophobicContact CG2-CB 4.3Å; I480-I548 HydrophobicContact CG2-CG1 3.51Å; M539-I548 HydrophobicContact CB-CG2 4.13Å; M539-I548 HydrophobicContact CE-CG2 4.35Å; M539-I548 WeakPolarHBondContact CE-O 3.47Å; M539-I548 HydrophobicContact CG-CG2 4.15Å; H542-I548 HydrophobicContact CB-CB 4.18Å; H542-I548 HydrophobicContact CB-CG2 3.7Å; S545-I548 PolarHBondContact O-N 3.15Å; S545-I548 PolarHBondContact OG-N 3.19Å; I548-G552 PolarHBondContact O-N 3.32Å |
| 549 | R | 96.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 175.9 | -52.7 | 179.6 | 76.2 | -167.1 | -7.5 | 110.8 | M539 L540 H542 S545 C546 Y547 L551 G552 F553 D575 E577 I591 | M539-R549 WeakPolarHBondContact O-CA 3.22Å; M539-R549 WeakPolarHBondContact O-CG 3.4Å; L540-R549 PolarHBondContact O-NE 2.98Å; L540-R549 PolarHBondContact O-NH2 3.34Å; L540-R549 VanDerWaalsContact O-NH2 3.1Å; H542-R549 HydrophobicContact CB-CG 4.1Å; H542-R549 VanDerWaalsContact O-CD 3.25Å; H542-R549 WeakPolarHBondContact O-CD 3.06Å; H542-R549 WeakPolarHBondContact O-CG 3.4Å; S545-R549 PolarHBondContact O-N 2.75Å; C546-R549 WeakPolarHBondContact O-CB 3.5Å; C546-R549 PolarHBondContact O-N 3.33Å; Y547-R549 VanDerWaalsContact C-N 3.31Å; R549-L551 PolarHBondContact O-N 3.36Å; R549-G552 CarbonylContact O-C 3.55Å; R549-G552 WeakPolarHBondContact O-CA 3.3Å; R549-G552 PolarHBondContact O-N 2.92Å; R549-F553 HydrophobicContact CB-CE2 4.18Å; R549-F553 WeakPolarHBondContact O-CD2 3.33Å; R549-F553 PolarHBondContact O-N 2.93Å; R549-D575 IonicContact CZ-OD1 3.43Å; R549-D575 IonicContact CZ-OD2 3.87Å; R549-D575 IonicContact NH1-OD1 3.06Å; R549-D575 PolarHBondContact NH1-OD1 2.63Å; R549-D575 IonicContact NH1-OD2 3.02Å; R549-D575 PolarHBondContact NH1-OD2 3.17Å; R549-D575 VanDerWaalsContact NH1-OD2 3.16Å; R549-D575 IonicContact NH2-OD1 2.74Å; R549-D575 IonicContact NH2-OD2 3.9Å; R549-D575 PolarHBondContact NH2-OD2 3.33Å; R549-E577 WeakPolarHBondContact CD-OE2 3.41Å; R549-E577 IonicContact CZ-OE2 2.82Å; R549-E577 IonicContact NE-OE2 2.71Å; R549-E577 IonicContact NH1-OE2 3.78Å; R549-E577 PolarHBondContact NH1-OE2 3.16Å; R549-I591 HydrophobicContact CB-CD1 3.93Å; R549-I591 HydrophobicContact CG-CD1 4.48Å |
| 550 | G | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.3 | -50.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C546 Y547 G552 F553 M554 | C546-G550 PolarHBondContact O-N 3.4Å; Y547-G550 PolarHBondContact O-N 3.09Å; G550-G552 VanDerWaalsContact C-N 3.31Å; G550-G552 PolarHBondContact O-N 3.4Å; G550-F553 PolarHBondContact O-N 3.39Å; G550-M554 PolarHBondContact O-N 3.34Å |
| 551 | L | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -31.1 | 174.6 | -78.4 | 177.7 | 0 | 0 | 0 | 112.9 | I480 V484 L487 A519 I522 L523 M539 Y547 R549 M554 Y555 | I480-L551 HydrophobicContact CB-CD1 4.39Å; I480-L551 HydrophobicContact CD1-CB 4.48Å; I480-L551 HydrophobicContact CD1-CD1 3.8Å; I480-L551 HydrophobicContact CG1-CD1 3.68Å; I480-L551 HydrophobicContact CG2-CD1 3.81Å; V484-L551 HydrophobicContact CG1-CD1 4.38Å; V484-L551 HydrophobicContact CG2-CD1 4.22Å; L487-L551 HydrophobicContact CD2-CD2 4.09Å; L487-L551 HydrophobicContact CD2-CG 4.01Å; A519-L551 HydrophobicContact CB-CD2 4.37Å; I522-L551 HydrophobicContact CB-CD1 4.48Å; I522-L551 HydrophobicContact CG2-CD1 4.2Å; L523-L551 HydrophobicContact CB-CD2 4.05Å; L523-L551 HydrophobicContact CD1-CD2 4.26Å; M539-L551 HydrophobicContact CE-CB 4.24Å; Y547-L551 PolarHBondContact O-N 3.48Å; R549-L551 PolarHBondContact O-N 3.36Å; L551-M554 HydrophobicContact CD2-SD 4.17Å; L551-M554 PolarHBondContact O-N 3.24Å; L551-Y555 WeakPolarHBondContact O-CB 3.46Å; L551-Y555 PolarHBondContact O-N 3.11Å |
| 552 | G | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | L540 I548 R549 G550 Y555 V556 | L540-G552 VanDerWaalsContact CD2-C 3.4Å; I548-G552 PolarHBondContact O-N 3.32Å; R549-G552 CarbonylContact O-C 3.55Å; R549-G552 WeakPolarHBondContact O-CA 3.3Å; R549-G552 PolarHBondContact O-N 2.92Å; G550-G552 VanDerWaalsContact C-N 3.31Å; G550-G552 PolarHBondContact O-N 3.4Å; G552-Y555 WeakPolarHBondContact O-CB 3.47Å; G552-Y555 PolarHBondContact O-N 3.28Å; G552-V556 PolarHBondContact O-N 3.26Å; G552-V556 VanDerWaalsContact O-N 3.08Å |
| 553 | F | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.1 | -66.8 | -61.8 | 0 | 0 | 0 | 112.5 | L540 R549 G550 Y555 V556 R557 F569 Y572 I591 M594 I595 M598 | L540-F553 HydrophobicContact CB-CZ 4.42Å; L540-F553 HydrophobicContact CD1-CE1 4.34Å; L540-F553 HydrophobicContact CD2-CD1 3.52Å; L540-F553 HydrophobicContact CD2-CD2 4.23Å; L540-F553 HydrophobicContact CD2-CE1 3.6Å; L540-F553 HydrophobicContact CD2-CE2 4.27Å; L540-F553 HydrophobicContact CD2-CG 3.86Å; L540-F553 HydrophobicContact CD2-CZ 3.97Å; L540-F553 HydrophobicContact CG-CE1 4.35Å; R549-F553 HydrophobicContact CB-CE2 4.18Å; R549-F553 WeakPolarHBondContact O-CD2 3.33Å; R549-F553 PolarHBondContact O-N 2.93Å; G550-F553 PolarHBondContact O-N 3.39Å; F553-Y555 VanDerWaalsContact C-N 3.31Å; F553-Y555 PolarHBondContact O-N 2.84Å; F553-V556 WeakPolarHBondContact O-CB 3.5Å; F553-V556 PolarHBondContact O-N 3.05Å; F553-R557 PolarHBondContact O-N 2.83Å; F553-F569 HydrophobicContact CB-CE1 4.02Å; F553-F569 AromaticContact CD1-CD1 3.65Å; F553-F569 HydrophobicContact CD1-CD1 3.65Å; F553-F569 AromaticContact CD1-CE1 3.65Å; F553-F569 HydrophobicContact CD1-CE1 3.65Å; F553-F569 HydrophobicContact CE1-CD1 4.22Å; F553-F569 HydrophobicContact CG-CE1 4.28Å; F553-Y572 HydrophobicContact CE1-CD1 4.4Å; F553-Y572 AromaticContact CE1-CD2 3.55Å; F553-Y572 HydrophobicContact CE1-CD2 3.55Å; F553-Y572 HydrophobicContact CE1-CE2 4.06Å; F553-Y572 AromaticContact CE1-CG 3.74Å; F553-Y572 HydrophobicContact CE1-CG 3.74Å; F553-Y572 AromaticContact CZ-CD1 3.78Å; F553-Y572 HydrophobicContact CZ-CD1 3.78Å; F553-Y572 AromaticContact CZ-CD2 3.8Å; F553-Y572 HydrophobicContact CZ-CD2 3.8Å; F553-Y572 HydrophobicContact CZ-CE1 4.29Å; F553-Y572 HydrophobicContact CZ-CE2 4.31Å; F553-Y572 AromaticContact CZ-CG 3.5Å; F553-Y572 HydrophobicContact CZ-CG 3.5Å; F553-Y572 VanDerWaalsContact CZ-CG 3.5Å; F553-I591 HydrophobicContact CD2-CG2 4.19Å; F553-I591 HydrophobicContact CE2-CD1 4.43Å; F553-I591 HydrophobicContact CE2-CG2 3.44Å; F553-I591 VanDerWaalsContact CE2-CG2 3.44Å; F553-I591 HydrophobicContact CZ-CG2 3.94Å; F553-M594 HydrophobicContact CB-CE 4.1Å; F553-M594 HydrophobicContact CD2-CE 3.75Å; F553-M594 HydrophobicContact CG-CE 4.25Å; F553-I595 HydrophobicContact CD1-CD1 3.78Å; F553-I595 HydrophobicContact CD1-CG1 4.03Å; F553-I595 HydrophobicContact CD2-CD1 4.27Å; F553-I595 HydrophobicContact CD2-CG1 4.38Å; F553-I595 HydrophobicContact CE1-CD1 3.44Å; F553-I595 VanDerWaalsContact CE1-CD1 3.44Å; F553-I595 HydrophobicContact CE1-CG1 4.21Å; F553-I595 HydrophobicContact CE2-CD1 4Å; F553-I595 HydrophobicContact CG-CD1 4.18Å; F553-I595 HydrophobicContact CG-CG1 4.12Å; F553-I595 HydrophobicContact CZ-CD1 3.58Å; F553-I595 HydrophobicContact CZ-CG1 4.49Å; F553-M598 HydrophobicContact CB-CE 4.47Å; F553-M598 HydrophobicContact CB-SD 4.1Å |
| 554 | M | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 171.5 | -74.4 | -161 | 142.6 | 0 | 0 | 112.1 | L487 F520 L523 G550 L551 V556 R557 Y558 M598 W604 F609 | L487-M554 HydrophobicContact CB-CE 3.99Å; L487-M554 HydrophobicContact CB-SD 4.29Å; L487-M554 HydrophobicContact CD2-SD 4.46Å; L487-M554 WeakPolarHBondContact O-CE 3.23Å; F520-M554 HydrophobicContact CE2-CE 4.13Å; F520-M554 HydrophobicContact CE2-SD 4.37Å; F520-M554 HydrophobicContact CZ-CE 4.36Å; L523-M554 HydrophobicContact CD1-CB 3.9Å; L523-M554 HydrophobicContact CD2-CB 4.04Å; L523-M554 HydrophobicContact CD2-SD 4.21Å; G550-M554 PolarHBondContact O-N 3.34Å; L551-M554 HydrophobicContact CD2-SD 4.17Å; L551-M554 PolarHBondContact O-N 3.24Å; M554-V556 VanDerWaalsContact C-N 3.33Å; M554-V556 PolarHBondContact O-N 2.78Å; M554-R557 PolarHBondContact O-N 3.15Å; M554-R557 VanDerWaalsContact O-N 3.09Å; M554-Y558 WeakPolarHBondContact O-CD2 3.2Å; M554-Y558 PolarHBondContact O-N 3.2Å; M554-M598 HydrophobicContact CE-CE 4.44Å; M554-M598 HydrophobicContact CG-CE 3.65Å; M554-W604 HydrophobicContact CE-CD2 4.32Å; M554-W604 VanDerWaalsContact CE-CE2 3.48Å; M554-W604 HydrophobicContact CE-CG 4.32Å; M554-W604 HydrophobicContact CE-CZ2 3.96Å; M554-F609 HydrophobicContact CE-CE1 4.49Å |
| 555 | Y | 97.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.016 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 176.1 | -172.7 | -83.5 | 0 | 0 | 0 | 111.1 | L438 L526 F527 L531 L536 L551 G552 F553 R557 C559 L560 | L438-Y555 HydrophobicContact CD1-CE1 4.43Å; L526-Y555 HydrophobicContact CB-CD2 3.99Å; L526-Y555 HydrophobicContact CB-CE2 4.15Å; F527-Y555 HydrophobicContact CB-CE2 4.4Å; L531-Y555 HydrophobicContact CB-CE1 4.24Å; L531-Y555 HydrophobicContact CD1-CD1 4.14Å; L531-Y555 HydrophobicContact CD1-CD2 3.92Å; L531-Y555 HydrophobicContact CD1-CE1 4.1Å; L531-Y555 HydrophobicContact CD1-CE2 3.86Å; L531-Y555 HydrophobicContact CD1-CG 4.05Å; L531-Y555 HydrophobicContact CG-CE1 4.46Å; L531-Y555 HydrophobicContact CG-CE2 4.04Å; L531-Y555 PolarHBondContact N-OH 2.92Å; L536-Y555 HydrophobicContact CD1-CD1 4.1Å; L536-Y555 HydrophobicContact CD2-CD1 4.34Å; L551-Y555 WeakPolarHBondContact O-CB 3.46Å; L551-Y555 PolarHBondContact O-N 3.11Å; G552-Y555 WeakPolarHBondContact O-CB 3.47Å; G552-Y555 PolarHBondContact O-N 3.28Å; F553-Y555 VanDerWaalsContact C-N 3.31Å; F553-Y555 PolarHBondContact O-N 2.84Å; Y555-R557 VanDerWaalsContact C-N 3.31Å; Y555-R557 PolarHBondContact O-N 3.39Å; Y555-C559 HydrophobicContact CD1-CB 4.09Å; Y555-C559 HydrophobicContact CD2-CB 4.46Å; Y555-C559 HydrophobicContact CE1-CB 3.86Å; Y555-C559 HydrophobicContact CE2-CB 4.27Å; Y555-C559 HydrophobicContact CG-CB 4.39Å; Y555-C559 WeakPolarHBondContact O-CB 3.15Å; Y555-C559 PolarHBondContact O-N 3.01Å; Y555-L560 HydrophobicContact CE1-CD2 4.48Å |
| 556 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -55.1 | -50.7 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L536 G552 F553 M554 Y558 L560 F565 W568 F569 | L536-V556 HydrophobicContact CD1-CG2 4.23Å; L536-V556 HydrophobicContact CD2-CG2 3.9Å; L536-V556 HydrophobicContact CG-CG2 4.47Å; G552-V556 PolarHBondContact O-N 3.26Å; G552-V556 VanDerWaalsContact O-N 3.08Å; F553-V556 WeakPolarHBondContact O-CB 3.5Å; F553-V556 PolarHBondContact O-N 3.05Å; M554-V556 VanDerWaalsContact C-N 3.33Å; M554-V556 PolarHBondContact O-N 2.78Å; V556-Y558 PolarHBondContact O-N 3.32Å; V556-L560 HydrophobicContact CB-CD1 4.43Å; V556-L560 HydrophobicContact CG1-CD1 4.24Å; V556-L560 HydrophobicContact CG2-CD1 4.21Å; V556-L560 WeakPolarHBondContact O-CB 3.4Å; V556-L560 PolarHBondContact O-N 3.08Å; V556-F565 HydrophobicContact CG1-CD1 4.01Å; V556-F565 HydrophobicContact CG1-CE1 4.4Å; V556-F565 WeakPolarHBondContact O-CE1 3.4Å; V556-W568 HydrophobicContact CG1-CB 3.76Å; V556-W568 HydrophobicContact CG1-CG 4.07Å; V556-W568 HydrophobicContact CG2-CB 4.16Å; V556-W568 HydrophobicContact CG2-CD2 4.41Å; V556-W568 HydrophobicContact CG2-CG 4.25Å; V556-F569 HydrophobicContact CB-CE1 4.07Å; V556-F569 HydrophobicContact CB-CZ 3.97Å; V556-F569 HydrophobicContact CG1-CE1 4Å; V556-F569 HydrophobicContact CG1-CE2 4.07Å; V556-F569 HydrophobicContact CG1-CZ 3.67Å |
| 557 | R | 94.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -32.7 | -173.4 | -171.3 | 61.2 | -172.5 | 79.9 | -1.1 | 114.4 | F553 M554 Y555 F565 F569 M598 F609 P610 | F553-R557 PolarHBondContact O-N 2.83Å; M554-R557 PolarHBondContact O-N 3.15Å; M554-R557 VanDerWaalsContact O-N 3.09Å; Y555-R557 VanDerWaalsContact C-N 3.31Å; Y555-R557 PolarHBondContact O-N 3.39Å; R557-F565 WeakPolarHBondContact O-CZ 3.44Å; R557-F569 HydrophobicContact CB-CZ 4.31Å; R557-M598 HydrophobicContact CB-SD 4.5Å; R557-M598 HydrophobicContact CG-CB 4.48Å; R557-M598 PolarHBondContact NE-O 3.01Å; R557-F609 HydrophobicContact CB-CE1 4.44Å; R557-F609 HydrophobicContact CG-CD1 3.55Å; R557-F609 HydrophobicContact CG-CD2 4.43Å; R557-F609 HydrophobicContact CG-CE1 3.73Å; R557-F609 HydrophobicContact CG-CG 3.95Å; R557-F609 HydrophobicContact CG-CZ 4.25Å; R557-F609 VanDerWaalsContact CZ-CB 3.5Å; R557-F609 VanDerWaalsContact NH2-CB 3.29Å; R557-P610 VanDerWaalsContact CZ-O 3.3Å; R557-P610 PolarHBondContact NH1-O 3.31Å; R557-P610 PolarHBondContact NH2-O 3.01Å |
| 558 | Y | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -94.4 | -35.3 | -178.8 | -84.1 | -81.1 | 0 | 0 | 0 | 114.2 | N448 L449 F520 L523 M554 V556 F609 P610 | N448-Y558 PolarHBondContact ND2-O 3.13Å; L449-Y558 HydrophobicContact CD2-CD1 4.25Å; L449-Y558 HydrophobicContact CD2-CE1 3.86Å; F520-Y558 HydrophobicContact CZ-CE2 4.45Å; L523-Y558 HydrophobicContact CD2-CD2 3.79Å; L523-Y558 HydrophobicContact CD2-CE2 4.1Å; L523-Y558 HydrophobicContact CD2-CG 4.45Å; M554-Y558 WeakPolarHBondContact O-CD2 3.2Å; M554-Y558 PolarHBondContact O-N 3.2Å; V556-Y558 PolarHBondContact O-N 3.32Å; Y558-F609 HydrophobicContact CD2-CD1 4.23Å; Y558-F609 HydrophobicContact CD2-CE1 4.24Å; Y558-F609 HydrophobicContact CE1-CD1 4.42Å; Y558-F609 AromaticContact CE2-CD1 3.56Å; Y558-F609 HydrophobicContact CE2-CD1 3.56Å; Y558-F609 AromaticContact CE2-CE1 3.51Å; Y558-F609 HydrophobicContact CE2-CE1 3.51Å; Y558-F609 AromaticContact CZ-CD1 3.65Å; Y558-P610 HydrophobicContact CD1-CG 3.76Å; Y558-P610 HydrophobicContact CE1-CG 4.16Å |
| 559 | C | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -107.2 | -22.9 | -166.5 | -64.2 | 0 | 0 | 0 | 0 | 114.5 | F440 W441 Y555 | F440-C559 CarbonylContact C-O 3.54Å; F440-C559 WeakPolarHBondContact CA-O 3.37Å; F440-C559 HydrophobicContact CD2-CB 3.78Å; F440-C559 HydrophobicContact CE2-CB 4.09Å; W441-C559 PolarHBondContact N-O 3.47Å; Y555-C559 HydrophobicContact CD1-CB 4.09Å; Y555-C559 HydrophobicContact CD2-CB 4.46Å; Y555-C559 HydrophobicContact CE1-CB 3.86Å; Y555-C559 HydrophobicContact CE2-CB 4.27Å; Y555-C559 HydrophobicContact CG-CB 4.39Å; Y555-C559 WeakPolarHBondContact O-CB 3.15Å; Y555-C559 PolarHBondContact O-N 3.01Å |
| 560 | L | 92.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -99.2 | 159 | -174 | -57.4 | -170.5 | 0 | 0 | 0 | 112.8 | L438 L536 Y555 V556 F565 W568 | L438-L560 HydrophobicContact CB-CD2 3.98Å; L438-L560 HydrophobicContact CD1-CD2 4.35Å; L536-L560 HydrophobicContact CD2-CD1 3.91Å; Y555-L560 HydrophobicContact CE1-CD2 4.48Å; V556-L560 HydrophobicContact CB-CD1 4.43Å; V556-L560 HydrophobicContact CG1-CD1 4.24Å; V556-L560 HydrophobicContact CG2-CD1 4.21Å; V556-L560 WeakPolarHBondContact O-CB 3.4Å; V556-L560 PolarHBondContact O-N 3.08Å; L560-F565 WeakPolarHBondContact O-CE1 3.41Å; L560-W568 HydrophobicContact CD1-CD2 4.39Å; L560-W568 HydrophobicContact CD1-CG 4.44Å; L560-W568 HydrophobicContact CD1-CZ2 4.22Å |
| 561 | H | 89.5 | Confident | 90.6 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 31% | 0.31 | 10% | 0.099 | S | C | . | . | trans | -67.8 | 132.5 | 178.8 | -169.5 | -79 | 0 | 0 | 0 | 110.7 | W441 N563 S564 | W441-H561 HydrophobicContact CB-CB 4.27Å; W441-H561 AromaticContact CD1-CD2 3.3Å; W441-H561 HydrophobicContact CG-CB 4.27Å; W441-H561 AromaticContact CG-CD2 3.96Å; W441-H561 AromaticContact NE1-CD2 3.45Å; W441-H561 PolarHBondContact NE1-CD2 2.87Å; W441-H561 AromaticContact NE1-NE2 3.8Å; H561-N563 VanDerWaalsContact CE1-CG 3.49Å; H561-N563 PolarHBondContact CE1-ND2 2.91Å; H561-N563 VanDerWaalsContact CE1-ND2 3.27Å; H561-N563 WeakPolarHBondContact ND1-CB 3.32Å; H561-N563 PolarHBondContact ND1-N 3.42Å; H561-N563 VanDerWaalsContact ND1-N 3.19Å; H561-N563 PolarHBondContact O-N 2.76Å; H561-N563 VanDerWaalsContact O-N 3.09Å; H561-S564 WeakPolarHBondContact O-CB 3.43Å; H561-S564 PolarHBondContact O-N 2.68Å; H561-S564 PolarHBondContact O-OG 3.28Å | ||
| 562 | P | 87.2 | Confident | 90 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -57.4 | -28.7 | -175 | -28.6 | 35.4 | 0 | 0 | 0 | 115.7 | W441 S564 F565 I612 I616 | W441-P562 HydrophobicContact CD2-CG 4.47Å; W441-P562 HydrophobicContact CE3-CG 4.1Å; W441-P562 HydrophobicContact CH2-CG 3.63Å; W441-P562 HydrophobicContact CZ2-CG 4.02Å; W441-P562 HydrophobicContact CZ3-CG 3.67Å; P562-S564 PolarHBondContact O-N 3.14Å; P562-S564 VanDerWaalsContact O-N 3.09Å; P562-F565 HydrophobicContact CB-CD2 4.23Å; P562-F565 HydrophobicContact CB-CE2 4.03Å; P562-F565 HydrophobicContact CB-CZ 4.22Å; P562-F565 HydrophobicContact CG-CE2 4.28Å; P562-F565 HydrophobicContact CG-CZ 4.11Å; P562-F565 WeakPolarHBondContact O-CB 3.38Å; P562-F565 PolarHBondContact O-N 2.73Å; P562-F565 VanDerWaalsContact O-N 3.07Å; P562-I612 HydrophobicContact CB-CG2 4.14Å; P562-I616 HydrophobicContact CB-CD1 3.8Å |
| 563 | N | 84.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 22 Ų | 22 | 37% | 0.369 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -55.6 | -25.6 | 172 | -73.9 | -14.5 | 0 | 0 | 0 | 113.5 | S426 H561 I616 | S426-N563 PolarHBondContact O-ND2 2.86Å; H561-N563 VanDerWaalsContact CE1-CG 3.49Å; H561-N563 PolarHBondContact CE1-ND2 2.91Å; H561-N563 VanDerWaalsContact CE1-ND2 3.27Å; H561-N563 WeakPolarHBondContact ND1-CB 3.32Å; H561-N563 PolarHBondContact ND1-N 3.42Å; H561-N563 VanDerWaalsContact ND1-N 3.19Å; H561-N563 PolarHBondContact O-N 2.76Å; H561-N563 VanDerWaalsContact O-N 3.09Å; N563-I616 WeakPolarHBondContact OD1-CD1 3.11Å; N563-I616 WeakPolarHBondContact OD1-CG1 3.4Å |
| 564 | S | 86.8 | Confident | 88 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 18% | 0.175 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -91.9 | -9.9 | -179.1 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | H561 P562 W566 Y567 W568 | H561-S564 WeakPolarHBondContact O-CB 3.43Å; H561-S564 PolarHBondContact O-N 2.68Å; H561-S564 PolarHBondContact O-OG 3.28Å; P562-S564 PolarHBondContact O-N 3.14Å; P562-S564 VanDerWaalsContact O-N 3.09Å; S564-W566 VanDerWaalsContact C-N 3.33Å; S564-W566 PolarHBondContact O-N 3.36Å; S564-Y567 WeakPolarHBondContact O-CB 3.29Å; S564-Y567 PolarHBondContact O-N 3.45Å; S564-Y567 VanDerWaalsContact O-N 3.1Å; S564-W568 PolarHBondContact O-N 3.29Å |
| 565 | F | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | -173.7 | -74.8 | -0 | 0 | 0 | 0 | 112.4 | V556 R557 L560 P562 Y567 W568 F569 L599 I612 | V556-F565 HydrophobicContact CG1-CD1 4.01Å; V556-F565 HydrophobicContact CG1-CE1 4.4Å; V556-F565 WeakPolarHBondContact O-CE1 3.4Å; R557-F565 WeakPolarHBondContact O-CZ 3.44Å; L560-F565 WeakPolarHBondContact O-CE1 3.41Å; P562-F565 HydrophobicContact CB-CD2 4.23Å; P562-F565 HydrophobicContact CB-CE2 4.03Å; P562-F565 HydrophobicContact CB-CZ 4.22Å; P562-F565 HydrophobicContact CG-CE2 4.28Å; P562-F565 HydrophobicContact CG-CZ 4.11Å; P562-F565 WeakPolarHBondContact O-CB 3.38Å; P562-F565 PolarHBondContact O-N 2.73Å; P562-F565 VanDerWaalsContact O-N 3.07Å; F565-Y567 VanDerWaalsContact C-N 3.28Å; F565-Y567 PolarHBondContact O-N 3.26Å; F565-W568 PolarHBondContact O-N 2.96Å; F565-W568 VanDerWaalsContact O-N 3.08Å; F565-F569 HydrophobicContact CB-CD2 3.87Å; F565-F569 HydrophobicContact CB-CE2 3.88Å; F565-F569 HydrophobicContact CD1-CE2 4.46Å; F565-F569 HydrophobicContact CD2-CE2 4.29Å; F565-F569 HydrophobicContact CG-CD2 4.47Å; F565-F569 AromaticContact CG-CE2 3.98Å; F565-F569 HydrophobicContact CG-CE2 3.98Å; F565-F569 WeakPolarHBondContact O-CB 3.35Å; F565-F569 VanDerWaalsContact O-CD2 3.24Å; F565-F569 WeakPolarHBondContact O-CD2 3.37Å; F565-F569 WeakPolarHBondContact O-CG 3.36Å; F565-F569 PolarHBondContact O-N 3.41Å; F565-L599 HydrophobicContact CB-CD2 4.21Å; F565-L599 HydrophobicContact CD2-CD2 4.36Å; F565-I612 HydrophobicContact CD2-CD1 3.96Å; F565-I612 HydrophobicContact CD2-CG1 4.25Å; F565-I612 HydrophobicContact CE2-CD1 3.95Å; F565-I612 HydrophobicContact CE2-CG1 3.84Å |
| 566 | W | 83.3 | Confident | 86.5 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 179.3 | -169.9 | -95.6 | 0 | 0 | 0 | 112.1 | S564 W568 F569 E570 L573 L620 K623 Y627 | S564-W566 VanDerWaalsContact C-N 3.33Å; S564-W566 PolarHBondContact O-N 3.36Å; W566-W568 PolarHBondContact O-N 3.19Å; W566-F569 PolarHBondContact O-N 3.31Å; W566-E570 HydrophobicContact CD2-CB 4.37Å; W566-E570 HydrophobicContact CZ2-CB 4.04Å; W566-E570 HydrophobicContact CZ2-CG 3.78Å; W566-E570 WeakPolarHBondContact O-CB 3.44Å; W566-E570 PolarHBondContact O-N 2.72Å; W566-L573 HydrophobicContact CH2-CD1 3.49Å; W566-L573 VanDerWaalsContact CH2-CD1 3.49Å; W566-L573 HydrophobicContact CZ2-CD1 4.11Å; W566-L573 HydrophobicContact CZ3-CD1 4.02Å; W566-L620 HydrophobicContact CB-CD2 3.99Å; W566-L620 HydrophobicContact CD2-CD2 4.4Å; W566-L620 HydrophobicContact CE3-CD2 3.69Å; W566-K623 HydrophobicContact CD2-CB 3.97Å; W566-K623 HydrophobicContact CD2-CD 3.63Å; W566-K623 HydrophobicContact CD2-CG 4.48Å; W566-K623 HydrophobicContact CE3-CB 3.95Å; W566-K623 HydrophobicContact CE3-CD 4.19Å; W566-K623 HydrophobicContact CG-CD 3.84Å; W566-K623 HydrophobicContact CH2-CB 3.42Å; W566-K623 VanDerWaalsContact CH2-CB 3.42Å; W566-K623 WeakPolarHBondContact CH2-O 3.39Å; W566-K623 HydrophobicContact CZ2-CB 3.44Å; W566-K623 VanDerWaalsContact CZ2-CB 3.44Å; W566-K623 HydrophobicContact CZ2-CD 4.3Å; W566-K623 HydrophobicContact CZ2-CG 4.43Å; W566-K623 WeakPolarHBondContact CZ2-O 3.2Å; W566-K623 HydrophobicContact CZ3-CB 3.67Å; W566-Y627 HydrophobicContact CH2-CD2 4.45Å; W566-Y627 HydrophobicContact CH2-CE2 4.12Å; W566-Y627 AromaticContact CZ2-CE2 3.74Å; W566-Y627 HydrophobicContact CZ2-CE2 3.74Å |
| 567 | Y | 82.2 | Confident | 86 | Confident | 140 Ų | 140 | 36.3 Ų | 36.3 | 55% | 0.549 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.7 | -35.3 | 178.4 | 171.1 | -94.6 | 0 | 0 | 0 | 113 | R533 S564 F565 | R533-Y567 PolarHBondContact NH2-OH 2.76Å; S564-Y567 WeakPolarHBondContact O-CB 3.29Å; S564-Y567 PolarHBondContact O-N 3.45Å; S564-Y567 VanDerWaalsContact O-N 3.1Å; F565-Y567 VanDerWaalsContact C-N 3.28Å; F565-Y567 PolarHBondContact O-N 3.26Å |
| 568 | W | 89.1 | Confident | 85.7 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -84.7 | -34.6 | -179.6 | -74.5 | 105.6 | 0 | 0 | 0 | 113.7 | L438 R533 L536 I537 L540 V556 L560 S564 F565 W566 Y572 | L438-W568 HydrophobicContact CD2-CZ2 4.01Å; R533-W568 HydrophobicContact CG-CH2 3.83Å; R533-W568 HydrophobicContact CG-CZ2 4.26Å; L536-W568 HydrophobicContact CB-CH2 4.38Å; L536-W568 HydrophobicContact CB-CZ3 4.46Å; L536-W568 HydrophobicContact CD2-CD2 4.38Å; L536-W568 HydrophobicContact CD2-CE3 4.08Å; L536-W568 HydrophobicContact CD2-CH2 3.57Å; L536-W568 HydrophobicContact CD2-CZ2 3.94Å; L536-W568 HydrophobicContact CD2-CZ3 3.66Å; L536-W568 HydrophobicContact CG-CE3 4.48Å; L536-W568 HydrophobicContact CG-CH2 4.11Å; L536-W568 HydrophobicContact CG-CZ3 3.88Å; I537-W568 HydrophobicContact CD1-CZ3 4.48Å; I537-W568 HydrophobicContact CG1-CH2 4.05Å; I537-W568 HydrophobicContact CG1-CZ3 3.67Å; L540-W568 HydrophobicContact CD1-CE3 3.64Å; L540-W568 HydrophobicContact CD1-CZ3 4.01Å; V556-W568 HydrophobicContact CG1-CB 3.76Å; V556-W568 HydrophobicContact CG1-CG 4.07Å; V556-W568 HydrophobicContact CG2-CB 4.16Å; V556-W568 HydrophobicContact CG2-CD2 4.41Å; V556-W568 HydrophobicContact CG2-CG 4.25Å; L560-W568 HydrophobicContact CD1-CD2 4.39Å; L560-W568 HydrophobicContact CD1-CG 4.44Å; L560-W568 HydrophobicContact CD1-CZ2 4.22Å; S564-W568 PolarHBondContact O-N 3.29Å; F565-W568 PolarHBondContact O-N 2.96Å; F565-W568 VanDerWaalsContact O-N 3.08Å; W566-W568 PolarHBondContact O-N 3.19Å; W568-Y572 WeakPolarHBondContact O-CD2 3.39Å; W568-Y572 VanDerWaalsContact O-CE2 3.32Å; W568-Y572 WeakPolarHBondContact O-CE2 3.48Å |
| 569 | F | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -92.5 | -33.7 | -172.5 | -71.1 | -42.5 | 0 | 0 | 0 | 114.2 | F553 V556 R557 F565 W566 P571 Y572 L573 I595 L599 | F553-F569 HydrophobicContact CB-CE1 4.02Å; F553-F569 AromaticContact CD1-CD1 3.65Å; F553-F569 HydrophobicContact CD1-CD1 3.65Å; F553-F569 AromaticContact CD1-CE1 3.65Å; F553-F569 HydrophobicContact CD1-CE1 3.65Å; F553-F569 HydrophobicContact CE1-CD1 4.22Å; F553-F569 HydrophobicContact CG-CE1 4.28Å; V556-F569 HydrophobicContact CB-CE1 4.07Å; V556-F569 HydrophobicContact CB-CZ 3.97Å; V556-F569 HydrophobicContact CG1-CE1 4Å; V556-F569 HydrophobicContact CG1-CE2 4.07Å; V556-F569 HydrophobicContact CG1-CZ 3.67Å; R557-F569 HydrophobicContact CB-CZ 4.31Å; F565-F569 HydrophobicContact CB-CD2 3.87Å; F565-F569 HydrophobicContact CB-CE2 3.88Å; F565-F569 HydrophobicContact CD1-CE2 4.46Å; F565-F569 HydrophobicContact CD2-CE2 4.29Å; F565-F569 HydrophobicContact CG-CD2 4.47Å; F565-F569 AromaticContact CG-CE2 3.98Å; F565-F569 HydrophobicContact CG-CE2 3.98Å; F565-F569 WeakPolarHBondContact O-CB 3.35Å; F565-F569 VanDerWaalsContact O-CD2 3.24Å; F565-F569 WeakPolarHBondContact O-CD2 3.37Å; F565-F569 WeakPolarHBondContact O-CG 3.36Å; F565-F569 PolarHBondContact O-N 3.41Å; W566-F569 PolarHBondContact O-N 3.31Å; F569-P571 VanDerWaalsContact C-N 3.28Å; F569-P571 VanDerWaalsContact O-N 3.14Å; F569-Y572 PolarHBondContact O-N 3.49Å; F569-L573 PolarHBondContact O-N 3.41Å; F569-I595 HydrophobicContact CB-CG2 3.56Å; F569-I595 HydrophobicContact CD1-CD1 4.37Å; F569-I595 HydrophobicContact CD1-CG1 4.18Å; F569-I595 HydrophobicContact CD1-CG2 3.71Å; F569-I595 HydrophobicContact CD2-CG2 4.4Å; F569-I595 HydrophobicContact CG-CG2 3.65Å; F569-L599 HydrophobicContact CB-CD1 4.31Å; F569-L599 HydrophobicContact CD2-CD1 4.13Å; F569-L599 HydrophobicContact CD2-CD2 3.6Å; F569-L599 HydrophobicContact CD2-CG 3.89Å; F569-L599 HydrophobicContact CE2-CD2 3.86Å; F569-L599 HydrophobicContact CE2-CG 4.28Å |
| 570 | E | 81.7 | Confident | 85.6 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -49.3 | -40.8 | -176.7 | -179 | -108.5 | -146.9 | 0 | 0 | 114.1 | Y292 W566 Y572 L573 Y627 | Y292-E570 PolarHBondContact OH-OE1 2.94Å; Y292-E570 PolarHBondContact OH-OE2 3.02Å; W566-E570 HydrophobicContact CD2-CB 4.37Å; W566-E570 HydrophobicContact CZ2-CB 4.04Å; W566-E570 HydrophobicContact CZ2-CG 3.78Å; W566-E570 WeakPolarHBondContact O-CB 3.44Å; W566-E570 PolarHBondContact O-N 2.72Å; E570-Y572 PolarHBondContact O-N 3.33Å; E570-L573 PolarHBondContact O-N 3.2Å; E570-Y627 WeakPolarHBondContact CG-OH 3.36Å; E570-Y627 PolarHBondContact OE1-OH 3.11Å |
| 571 | P | 76.8 | Confident | 85.6 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -65.8 | -8.1 | 179.5 | -21.4 | 33.7 | 0 | 0 | 0 | 116.6 | Y292 R392 F569 | Y292-P571 HydrophobicContact CD1-CB 4.15Å; Y292-P571 HydrophobicContact CE1-CB 3.65Å; Y292-P571 HydrophobicContact CE1-CG 3.88Å; Y292-P571 WeakPolarHBondContact OH-CA 3.35Å; R392-P571 PolarHBondContact NH1-O 3.42Å; F569-P571 VanDerWaalsContact C-N 3.28Å; F569-P571 VanDerWaalsContact O-N 3.14Å |
| 572 | Y | 86.3 | Confident | 85.7 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -127.6 | 7.9 | -171.2 | -50.5 | -86.7 | 0 | 0 | 0 | 112.5 | L540 N541 F553 W568 F569 E570 D574 D575 G592 I595 | L540-Y572 HydrophobicContact CB-CE1 4.23Å; L540-Y572 HydrophobicContact CB-CE2 4.22Å; L540-Y572 WeakPolarHBondContact CB-OH 3.37Å; L540-Y572 HydrophobicContact CD1-CE2 4.03Å; L540-Y572 WeakPolarHBondContact O-CE1 3.27Å; N541-Y572 PolarHBondContact ND2-OH 3.38Å; N541-Y572 VanDerWaalsContact OD1-CE1 3.3Å; N541-Y572 WeakPolarHBondContact OD1-CE1 3.18Å; N541-Y572 PolarHBondContact OD1-OH 3.24Å; F553-Y572 HydrophobicContact CE1-CD1 4.4Å; F553-Y572 AromaticContact CE1-CD2 3.55Å; F553-Y572 HydrophobicContact CE1-CD2 3.55Å; F553-Y572 HydrophobicContact CE1-CE2 4.06Å; F553-Y572 AromaticContact CE1-CG 3.74Å; F553-Y572 HydrophobicContact CE1-CG 3.74Å; F553-Y572 AromaticContact CZ-CD1 3.78Å; F553-Y572 HydrophobicContact CZ-CD1 3.78Å; F553-Y572 AromaticContact CZ-CD2 3.8Å; F553-Y572 HydrophobicContact CZ-CD2 3.8Å; F553-Y572 HydrophobicContact CZ-CE1 4.29Å; F553-Y572 HydrophobicContact CZ-CE2 4.31Å; F553-Y572 AromaticContact CZ-CG 3.5Å; F553-Y572 HydrophobicContact CZ-CG 3.5Å; F553-Y572 VanDerWaalsContact CZ-CG 3.5Å; W568-Y572 WeakPolarHBondContact O-CD2 3.39Å; W568-Y572 VanDerWaalsContact O-CE2 3.32Å; W568-Y572 WeakPolarHBondContact O-CE2 3.48Å; F569-Y572 PolarHBondContact O-N 3.49Å; E570-Y572 PolarHBondContact O-N 3.33Å; Y572-D574 PolarHBondContact O-N 3.2Å; Y572-D575 WeakPolarHBondContact O-CB 3.16Å; Y572-D575 PolarHBondContact O-N 3.08Å; Y572-D575 VanDerWaalsContact O-N 3.17Å; Y572-G592 VanDerWaalsContact O-CA 3.29Å; Y572-G592 WeakPolarHBondContact O-CA 3.37Å; Y572-I595 VanDerWaalsContact CB-CD1 3.41Å; Y572-I595 HydrophobicContact CG-CD1 4.44Å |
| 573 | L | 83.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.9 | 178.2 | -73.7 | 171.4 | 0 | 0 | 0 | 112.7 | W566 F569 E570 G592 I595 R596 L599 | W566-L573 HydrophobicContact CH2-CD1 3.49Å; W566-L573 VanDerWaalsContact CH2-CD1 3.49Å; W566-L573 HydrophobicContact CZ2-CD1 4.11Å; W566-L573 HydrophobicContact CZ3-CD1 4.02Å; F569-L573 PolarHBondContact O-N 3.41Å; E570-L573 PolarHBondContact O-N 3.2Å; L573-G592 WeakPolarHBondContact O-CA 3.32Å; L573-I595 HydrophobicContact CD2-CB 4.5Å; L573-I595 HydrophobicContact CD2-CG2 3.74Å; L573-R596 HydrophobicContact CD2-CG 4.01Å; L573-R596 VanDerWaalsContact O-CZ 3.23Å; L573-R596 PolarHBondContact O-NH1 3.48Å; L573-R596 PolarHBondContact O-NH2 3.1Å; L573-L599 HydrophobicContact CD2-CD1 4.43Å |
| 574 | D | 68.4 | Low | 85.4 | Confident | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 25.9 | 176.4 | -53.2 | -32.4 | 0 | 0 | 0 | 111.5 | Y572 E576 | Y572-D574 PolarHBondContact O-N 3.2Å; D574-E576 PolarHBondContact O-N 3.1Å |
| 575 | D | 81 | Confident | 85.2 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | trans | -79.4 | 107.3 | 179.2 | -158 | -57.9 | 0 | 0 | 0 | 110.3 | R549 Y572 E577 T590 I591 G592 | R549-D575 IonicContact CZ-OD1 3.43Å; R549-D575 IonicContact CZ-OD2 3.87Å; R549-D575 IonicContact NH1-OD1 3.06Å; R549-D575 PolarHBondContact NH1-OD1 2.63Å; R549-D575 IonicContact NH1-OD2 3.02Å; R549-D575 PolarHBondContact NH1-OD2 3.17Å; R549-D575 VanDerWaalsContact NH1-OD2 3.16Å; R549-D575 IonicContact NH2-OD1 2.74Å; R549-D575 IonicContact NH2-OD2 3.9Å; R549-D575 PolarHBondContact NH2-OD2 3.33Å; Y572-D575 WeakPolarHBondContact O-CB 3.16Å; Y572-D575 PolarHBondContact O-N 3.08Å; Y572-D575 VanDerWaalsContact O-N 3.17Å; D575-E577 VanDerWaalsContact C-N 3.26Å; D575-E577 PolarHBondContact O-N 2.98Å; D575-E577 WeakPolarHBondContact OD1-CB 3.35Å; D575-E577 PolarHBondContact OD1-N 3.42Å; D575-T590 WeakPolarHBondContact O-CB 3.48Å; D575-I591 HydrophobicContact CB-CB 3.96Å; D575-I591 HydrophobicContact CB-CG2 3.81Å; D575-I591 PolarHBondContact O-N 3.16Å; D575-G592 PolarHBondContact O-N 2.9Å | ||
| 576 | E | 81.4 | Confident | 84.8 | Confident | 144 Ų | 144 | 47.1 Ų | 47.1 | 67% | 0.673 | 26% | 0.259 | S | S | * | . | trans | -79.5 | 2.3 | -176.6 | -58.6 | -67.3 | 159.4 | 0 | 0 | 113.6 | D574 E578 | D574-E576 PolarHBondContact O-N 3.1Å; E576-E578 PolarHBondContact O-N 3.18Å | ||
| 577 | E | 85.1 | Confident | 85 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -65.3 | 127.9 | 177 | -173.3 | 178.9 | -154 | 0 | 0 | 110.5 | C546 R549 D575 T590 I591 | C546-E577 HydrophobicContact CB-CG 4.13Å; R549-E577 WeakPolarHBondContact CD-OE2 3.41Å; R549-E577 IonicContact CZ-OE2 2.82Å; R549-E577 IonicContact NE-OE2 2.71Å; R549-E577 IonicContact NH1-OE2 3.78Å; R549-E577 PolarHBondContact NH1-OE2 3.16Å; D575-E577 VanDerWaalsContact C-N 3.26Å; D575-E577 PolarHBondContact O-N 2.98Å; D575-E577 WeakPolarHBondContact OD1-CB 3.35Å; D575-E577 PolarHBondContact OD1-N 3.42Å; E577-T590 CarbonylContact O-C 3.57Å; E577-T590 WeakPolarHBondContact O-CA 3.2Å; E577-I591 HydrophobicContact CB-CD1 4.06Å; E577-I591 HydrophobicContact CB-CG1 4.33Å; E577-I591 HydrophobicContact CG-CD1 4.36Å; E577-I591 PolarHBondContact O-N 3.4Å; E577-I591 VanDerWaalsContact OE2-CD1 3.24Å; E577-I591 WeakPolarHBondContact OE2-CD1 3.28Å | ||
| 578 | E | 88.7 | Confident | 85.3 | Confident | 140 Ų | 140 | 46.3 Ų | 46.3 | 65% | 0.654 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139 | 179.6 | -67.7 | -177.3 | 169.8 | 0 | 0 | 112 | E576 V588 M589 | E576-E578 PolarHBondContact O-N 3.18Å; E578-V588 HydrophobicContact CB-CG1 3.85Å; E578-V588 HydrophobicContact CG-CG1 4.11Å; E578-M589 CarbonylContact C-O 3.53Å; E578-M589 WeakPolarHBondContact CA-O 3.03Å |
| 579 | I | 93.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.5 | 174.2 | -171.1 | 169 | 0 | 0 | 0 | 109.2 | L487 C546 Y547 P581 V588 M589 I591 M594 | L487-I579 HydrophobicContact CD1-CD1 3.78Å; C546-I579 HydrophobicContact CB-CB 4.25Å; C546-I579 HydrophobicContact CB-CD1 4.36Å; C546-I579 HydrophobicContact CB-CG1 4.35Å; C546-I579 WeakPolarHBondContact O-CD1 3.03Å; Y547-I579 HydrophobicContact CD1-CD1 4.09Å; Y547-I579 HydrophobicContact CD1-CG1 4.21Å; Y547-I579 HydrophobicContact CE1-CD1 4.34Å; Y547-I579 HydrophobicContact CE1-CG1 3.96Å; I579-P581 WeakPolarHBondContact O-CD 3.28Å; I579-V588 WeakPolarHBondContact O-CA 3.47Å; I579-M589 HydrophobicContact CG2-CG 4.32Å; I579-M589 PolarHBondContact N-O 3.3Å; I579-M589 PolarHBondContact O-N 3.46Å; I579-M589 VanDerWaalsContact O-O 3.06Å; I579-I591 HydrophobicContact CG2-CG1 4.15Å; I579-M594 HydrophobicContact CD1-SD 4.16Å; I579-M594 HydrophobicContact CG2-CB 4.4Å; I579-M594 HydrophobicContact CG2-SD 4.11Å |
| 580 | D | 94.3 | Very high | 85.4 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | trans | -110.9 | 101.2 | 171.4 | -163.2 | -26.2 | 0 | 0 | 0 | 109.8 | Y547 K582 G585 G586 E587 V588 | Y547-D580 WeakPolarHBondContact CE1-O 3.25Å; Y547-D580 PolarHBondContact OH-O 3.1Å; D580-K582 PolarHBondContact O-N 2.94Å; D580-K582 WeakPolarHBondContact OD1-CB 3.34Å; D580-K582 PolarHBondContact OD1-N 3.41Å; D580-K582 VanDerWaalsContact OD1-N 3.08Å; D580-G585 VanDerWaalsContact OD2-C 3.3Å; D580-G585 WeakPolarHBondContact OD2-CA 3.24Å; D580-G586 PolarHBondContact OD2-N 3.16Å; D580-E587 PolarHBondContact OD1-N 3.16Å; D580-E587 PolarHBondContact OD2-N 2.9Å; D580-E587 VanDerWaalsContact OD2-N 3.17Å; D580-V588 HydrophobicContact CB-CG2 4.2Å | ||
| 581 | P | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -73 | -13.6 | -179.6 | -19.7 | 34.5 | 0 | 0 | 0 | 114.1 | L487 E488 I579 E587 M589 M594 W604 Y605 | L487-P581 CarbonylContact C-O 3.51Å; L487-P581 HydrophobicContact CB-CB 4.16Å; L487-P581 PolarHBondContact N-O 3.26Å; E488-P581 WeakPolarHBondContact CG-O 3.13Å; E488-P581 PolarHBondContact N-O 3.46Å; I579-P581 WeakPolarHBondContact O-CD 3.28Å; P581-E587 WeakPolarHBondContact CD-O 3.02Å; P581-M589 HydrophobicContact CG-CE 3.85Å; P581-M589 HydrophobicContact CG-CG 4.26Å; P581-M589 HydrophobicContact CG-SD 3.94Å; P581-M594 HydrophobicContact CG-CG 4.33Å; P581-W604 HydrophobicContact CB-CH2 4.05Å; P581-W604 HydrophobicContact CB-CZ2 3.73Å; P581-W604 HydrophobicContact CG-CH2 4.2Å; P581-W604 HydrophobicContact CG-CZ2 4.33Å; P581-Y605 HydrophobicContact CB-CE2 3.7Å | ||
| 582 | K | 91.5 | Very high | 86.4 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -87.7 | 138.1 | -167.7 | -173.4 | -180 | 177.4 | -179.2 | 0 | 112.7 | H486 E488 D580 G584 G585 E587 Y605 | H486-K582 WeakPolarHBondContact CB-O 3.48Å; E488-K582 WeakPolarHBondContact OE1-CA 3.26Å; E488-K582 WeakPolarHBondContact OE1-CG 3.32Å; D580-K582 PolarHBondContact O-N 2.94Å; D580-K582 WeakPolarHBondContact OD1-CB 3.34Å; D580-K582 PolarHBondContact OD1-N 3.41Å; D580-K582 VanDerWaalsContact OD1-N 3.08Å; K582-G584 PolarHBondContact O-N 2.98Å; K582-G585 PolarHBondContact O-N 3.01Å; K582-E587 HydrophobicContact CB-CB 3.84Å; K582-E587 HydrophobicContact CD-CB 3.79Å; K582-E587 HydrophobicContact CG-CB 4.48Å; K582-Y605 HydrophobicContact CB-CE1 3.84Å; K582-Y605 HydrophobicContact CG-CE1 3.93Å |
| 583 | A | 86.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 119.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E488 R492 | E488-A583 HydrophobicContact CB-CB 4.04Å; E488-A583 VanDerWaalsContact CD-N 3.25Å; E488-A583 HydrophobicContact CG-CB 3.92Å; E488-A583 PolarHBondContact OE1-N 3.01Å; R492-A583 HydrophobicContact CB-CB 4.39Å |
| 584 | G | 79 | Confident | 87.1 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 4.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | K582 | K582-G584 PolarHBondContact O-N 2.98Š|
| 585 | G | 82 | Confident | 88.3 | Confident | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 72.1 | -176.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D580 K582 | D580-G585 VanDerWaalsContact OD2-C 3.3Å; D580-G585 WeakPolarHBondContact OD2-CA 3.24Å; K582-G585 PolarHBondContact O-N 3.01Å |
| 586 | G | 80.7 | Confident | 88.5 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 73% | 0.732 | 25% | 0.248 | S | C | * | . | trans | 96.4 | 15.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D580 | D580-G586 PolarHBondContact OD2-N 3.16Š| ||
| 587 | E | 88 | Confident | 89 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | trans | -137.3 | 56.2 | 172.5 | -160.2 | 177.7 | 173 | 0 | 0 | 111.4 | D580 P581 K582 M589 Y605 | D580-E587 PolarHBondContact OD1-N 3.16Å; D580-E587 PolarHBondContact OD2-N 2.9Å; D580-E587 VanDerWaalsContact OD2-N 3.17Å; P581-E587 WeakPolarHBondContact CD-O 3.02Å; K582-E587 HydrophobicContact CB-CB 3.84Å; K582-E587 HydrophobicContact CD-CB 3.79Å; K582-E587 HydrophobicContact CG-CB 4.48Å; E587-M589 HydrophobicContact CG-CE 4.01Å; E587-M589 PolarHBondContact O-N 2.89Å; E587-Y605 WeakPolarHBondContact OE2-CE1 3.38Å; E587-Y605 PolarHBondContact OE2-OH 3.29Å | ||
| 588 | V | 88.1 | Confident | 89.2 | Confident | 87 Ų | 87 | 35 Ų | 35 | 53% | 0.527 | 21% | 0.212 | S | C | . | . | trans | -63 | 131 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | E578 I579 D580 | E578-V588 HydrophobicContact CB-CG1 3.85Å; E578-V588 HydrophobicContact CG-CG1 4.11Å; I579-V588 WeakPolarHBondContact O-CA 3.47Å; D580-V588 HydrophobicContact CB-CG2 4.2Å | ||
| 589 | M | 91.7 | Very high | 89.1 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 166.5 | 174.6 | 66.9 | -174.1 | 71 | 0 | 0 | 110.2 | E578 I579 P581 E587 D593 M594 Q597 | E578-M589 CarbonylContact C-O 3.53Å; E578-M589 WeakPolarHBondContact CA-O 3.03Å; I579-M589 HydrophobicContact CG2-CG 4.32Å; I579-M589 PolarHBondContact N-O 3.3Å; I579-M589 PolarHBondContact O-N 3.46Å; I579-M589 VanDerWaalsContact O-O 3.06Å; P581-M589 HydrophobicContact CG-CE 3.85Å; P581-M589 HydrophobicContact CG-CG 4.26Å; P581-M589 HydrophobicContact CG-SD 3.94Å; E587-M589 HydrophobicContact CG-CE 4.01Å; E587-M589 PolarHBondContact O-N 2.89Å; M589-D593 HydrophobicContact CB-CB 4.23Å; M589-M594 HydrophobicContact CG-CB 4.28Å; M589-M594 HydrophobicContact SD-CB 3.91Å; M589-M594 HydrophobicContact SD-CG 4.23Å; M589-Q597 VanDerWaalsContact CE-NE2 3.32Å; M589-Q597 PolarHBondContact SD-NE2 3.27Å |
| 590 | T | 92.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 155.2 | 172.8 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | D575 E577 G592 D593 M594 | D575-T590 WeakPolarHBondContact O-CB 3.48Å; E577-T590 CarbonylContact O-C 3.57Å; E577-T590 WeakPolarHBondContact O-CA 3.2Å; T590-G592 PolarHBondContact O-N 3.29Å; T590-D593 PolarHBondContact O-N 3.02Å; T590-D593 VanDerWaalsContact O-N 3.1Å; T590-D593 WeakPolarHBondContact OG1-CB 3.28Å; T590-D593 PolarHBondContact OG1-N 2.94Å; T590-D593 PolarHBondContact OG1-OD2 3.29Å; T590-M594 PolarHBondContact O-N 2.88Å |
| 591 | I | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.6 | -38.4 | 171 | -77.7 | -175.3 | 0 | 0 | 0 | 110.6 | R549 F553 D575 E577 I579 D593 M594 I595 | R549-I591 HydrophobicContact CB-CD1 3.93Å; R549-I591 HydrophobicContact CG-CD1 4.48Å; F553-I591 HydrophobicContact CD2-CG2 4.19Å; F553-I591 HydrophobicContact CE2-CD1 4.43Å; F553-I591 HydrophobicContact CE2-CG2 3.44Å; F553-I591 VanDerWaalsContact CE2-CG2 3.44Å; F553-I591 HydrophobicContact CZ-CG2 3.94Å; D575-I591 HydrophobicContact CB-CB 3.96Å; D575-I591 HydrophobicContact CB-CG2 3.81Å; D575-I591 PolarHBondContact O-N 3.16Å; E577-I591 HydrophobicContact CB-CD1 4.06Å; E577-I591 HydrophobicContact CB-CG1 4.33Å; E577-I591 HydrophobicContact CG-CD1 4.36Å; E577-I591 PolarHBondContact O-N 3.4Å; E577-I591 VanDerWaalsContact OE2-CD1 3.24Å; E577-I591 WeakPolarHBondContact OE2-CD1 3.28Å; I579-I591 HydrophobicContact CG2-CG1 4.15Å; I591-D593 PolarHBondContact O-N 3.38Å; I591-M594 WeakPolarHBondContact O-CB 3.26Å; I591-M594 PolarHBondContact O-N 3.19Å; I591-I595 HydrophobicContact CG2-CD1 3.79Å; I591-I595 HydrophobicContact CG2-CG1 4.39Å; I591-I595 VanDerWaalsContact O-CG1 3.25Å; I591-I595 WeakPolarHBondContact O-CG1 3.02Å; I591-I595 PolarHBondContact O-N 3.4Å |
| 592 | G | 88.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y572 L573 D575 T590 I595 R596 | Y572-G592 VanDerWaalsContact O-CA 3.29Å; Y572-G592 WeakPolarHBondContact O-CA 3.37Å; L573-G592 WeakPolarHBondContact O-CA 3.32Å; D575-G592 PolarHBondContact O-N 2.9Å; T590-G592 PolarHBondContact O-N 3.29Å; G592-I595 PolarHBondContact O-N 3.25Å; G592-R596 WeakPolarHBondContact O-CG 3.48Å; G592-R596 PolarHBondContact O-N 3.4Å |
| 593 | D | 89 | Confident | 87.5 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.5 | -65 | -34.2 | 0 | 0 | 0 | 112.3 | M589 T590 I591 I595 R596 Q597 | M589-D593 HydrophobicContact CB-CB 4.23Å; T590-D593 PolarHBondContact O-N 3.02Å; T590-D593 VanDerWaalsContact O-N 3.1Å; T590-D593 WeakPolarHBondContact OG1-CB 3.28Å; T590-D593 PolarHBondContact OG1-N 2.94Å; T590-D593 PolarHBondContact OG1-OD2 3.29Å; I591-D593 PolarHBondContact O-N 3.38Å; D593-I595 VanDerWaalsContact C-N 3.29Å; D593-I595 PolarHBondContact O-N 3.24Å; D593-R596 WeakPolarHBondContact O-CB 3.39Å; D593-R596 PolarHBondContact O-N 3.49Å; D593-R596 IonicContact OD1-CZ 3.37Å; D593-R596 IonicContact OD1-NE 3.97Å; D593-R596 PolarHBondContact OD1-NE 3.1Å; D593-R596 IonicContact OD1-NH2 3.64Å; D593-R596 PolarHBondContact OD1-NH2 3.29Å; D593-Q597 WeakPolarHBondContact O-CG 3.42Å; D593-Q597 PolarHBondContact O-N 3.24Å |
| 594 | M | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 175.6 | -167.1 | -162.3 | 56.9 | 0 | 0 | 111.1 | L487 F553 I579 P581 M589 T590 I591 Q597 M598 W604 | L487-M594 HydrophobicContact CD1-SD 3.73Å; F553-M594 HydrophobicContact CB-CE 4.1Å; F553-M594 HydrophobicContact CD2-CE 3.75Å; F553-M594 HydrophobicContact CG-CE 4.25Å; I579-M594 HydrophobicContact CD1-SD 4.16Å; I579-M594 HydrophobicContact CG2-CB 4.4Å; I579-M594 HydrophobicContact CG2-SD 4.11Å; P581-M594 HydrophobicContact CG-CG 4.33Å; M589-M594 HydrophobicContact CG-CB 4.28Å; M589-M594 HydrophobicContact SD-CB 3.91Å; M589-M594 HydrophobicContact SD-CG 4.23Å; T590-M594 PolarHBondContact O-N 2.88Å; I591-M594 WeakPolarHBondContact O-CB 3.26Å; I591-M594 PolarHBondContact O-N 3.19Å; M594-Q597 WeakPolarHBondContact O-CB 3.44Å; M594-Q597 PolarHBondContact O-N 3.29Å; M594-M598 HydrophobicContact CE-CE 3.85Å; M594-M598 HydrophobicContact CG-CE 4.08Å; M594-M598 WeakPolarHBondContact O-CG 3.46Å; M594-M598 PolarHBondContact O-N 3.21Å; M594-M598 HydrophobicContact SD-CE 3.82Å; M594-W604 HydrophobicContact CG-CH2 3.66Å; M594-W604 HydrophobicContact CG-CZ3 4.45Å; M594-W604 HydrophobicContact SD-CH2 4.39Å |
| 595 | I | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.3 | -69.3 | 169 | 0 | 0 | 0 | 111.3 | F553 F569 Y572 L573 I591 G592 D593 Q597 M598 L599 | F553-I595 HydrophobicContact CD1-CD1 3.78Å; F553-I595 HydrophobicContact CD1-CG1 4.03Å; F553-I595 HydrophobicContact CD2-CD1 4.27Å; F553-I595 HydrophobicContact CD2-CG1 4.38Å; F553-I595 HydrophobicContact CE1-CD1 3.44Å; F553-I595 VanDerWaalsContact CE1-CD1 3.44Å; F553-I595 HydrophobicContact CE1-CG1 4.21Å; F553-I595 HydrophobicContact CE2-CD1 4Å; F553-I595 HydrophobicContact CG-CD1 4.18Å; F553-I595 HydrophobicContact CG-CG1 4.12Å; F553-I595 HydrophobicContact CZ-CD1 3.58Å; F553-I595 HydrophobicContact CZ-CG1 4.49Å; F569-I595 HydrophobicContact CB-CG2 3.56Å; F569-I595 HydrophobicContact CD1-CD1 4.37Å; F569-I595 HydrophobicContact CD1-CG1 4.18Å; F569-I595 HydrophobicContact CD1-CG2 3.71Å; F569-I595 HydrophobicContact CD2-CG2 4.4Å; F569-I595 HydrophobicContact CG-CG2 3.65Å; Y572-I595 VanDerWaalsContact CB-CD1 3.41Å; Y572-I595 HydrophobicContact CG-CD1 4.44Å; L573-I595 HydrophobicContact CD2-CB 4.5Å; L573-I595 HydrophobicContact CD2-CG2 3.74Å; I591-I595 HydrophobicContact CG2-CD1 3.79Å; I591-I595 HydrophobicContact CG2-CG1 4.39Å; I591-I595 VanDerWaalsContact O-CG1 3.25Å; I591-I595 WeakPolarHBondContact O-CG1 3.02Å; I591-I595 PolarHBondContact O-N 3.4Å; G592-I595 PolarHBondContact O-N 3.25Å; D593-I595 VanDerWaalsContact C-N 3.29Å; D593-I595 PolarHBondContact O-N 3.24Å; I595-Q597 VanDerWaalsContact C-N 3.25Å; I595-Q597 PolarHBondContact O-N 2.85Å; I595-M598 PolarHBondContact O-N 3.25Å; I595-M598 VanDerWaalsContact O-N 3.15Å; I595-L599 HydrophobicContact CG2-CD1 4.23Å; I595-L599 PolarHBondContact O-N 3.22Å |
| 596 | R | 87 | Confident | 87.6 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | 172.9 | -76.8 | -175.4 | -90.6 | -89.8 | -1.6 | 111 | L573 G592 D593 L599 N600 | L573-R596 HydrophobicContact CD2-CG 4.01Å; L573-R596 VanDerWaalsContact O-CZ 3.23Å; L573-R596 PolarHBondContact O-NH1 3.48Å; L573-R596 PolarHBondContact O-NH2 3.1Å; G592-R596 WeakPolarHBondContact O-CG 3.48Å; G592-R596 PolarHBondContact O-N 3.4Å; D593-R596 WeakPolarHBondContact O-CB 3.39Å; D593-R596 PolarHBondContact O-N 3.49Å; D593-R596 IonicContact OD1-CZ 3.37Å; D593-R596 IonicContact OD1-NE 3.97Å; D593-R596 PolarHBondContact OD1-NE 3.1Å; D593-R596 IonicContact OD1-NH2 3.64Å; D593-R596 PolarHBondContact OD1-NH2 3.29Å; R596-L599 PolarHBondContact O-N 2.95Å; R596-N600 VanDerWaalsContact O-CB 3.31Å; R596-N600 WeakPolarHBondContact O-CB 3.48Å; R596-N600 PolarHBondContact O-N 3.28Å; R596-N600 PolarHBondContact O-ND2 3.36Å; R596-N600 VanDerWaalsContact O-ND2 3.07Å |
| 597 | Q | 89.9 | Confident | 87.8 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.9 | -67.1 | -160.8 | 54.2 | 0 | 0 | 112 | M589 D593 M594 I595 L599 N600 K601 W604 | M589-Q597 VanDerWaalsContact CE-NE2 3.32Å; M589-Q597 PolarHBondContact SD-NE2 3.27Å; D593-Q597 WeakPolarHBondContact O-CG 3.42Å; D593-Q597 PolarHBondContact O-N 3.24Å; M594-Q597 WeakPolarHBondContact O-CB 3.44Å; M594-Q597 PolarHBondContact O-N 3.29Å; I595-Q597 VanDerWaalsContact C-N 3.25Å; I595-Q597 PolarHBondContact O-N 2.85Å; Q597-L599 VanDerWaalsContact C-N 3.26Å; Q597-L599 PolarHBondContact O-N 3.46Å; Q597-N600 PolarHBondContact O-N 3.33Å; Q597-K601 HydrophobicContact CB-CD 4.39Å; Q597-K601 HydrophobicContact CG-CD 4.36Å; Q597-K601 WeakPolarHBondContact O-CA 3.38Å; Q597-K601 WeakPolarHBondContact O-CB 3.46Å; Q597-K601 PolarHBondContact O-N 3.15Å; Q597-W604 HydrophobicContact CB-CZ3 4.3Å |
| 598 | M | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -30.8 | 178 | -70.2 | -173.9 | -179.7 | 0 | 0 | 113.7 | F553 M554 R557 M594 I595 W604 F609 | F553-M598 HydrophobicContact CB-CE 4.47Å; F553-M598 HydrophobicContact CB-SD 4.1Å; M554-M598 HydrophobicContact CE-CE 4.44Å; M554-M598 HydrophobicContact CG-CE 3.65Å; R557-M598 HydrophobicContact CB-SD 4.5Å; R557-M598 HydrophobicContact CG-CB 4.48Å; R557-M598 PolarHBondContact NE-O 3.01Å; M594-M598 HydrophobicContact CE-CE 3.85Å; M594-M598 HydrophobicContact CG-CE 4.08Å; M594-M598 WeakPolarHBondContact O-CG 3.46Å; M594-M598 PolarHBondContact O-N 3.21Å; M594-M598 HydrophobicContact SD-CE 3.82Å; I595-M598 PolarHBondContact O-N 3.25Å; I595-M598 VanDerWaalsContact O-N 3.15Å; M598-W604 HydrophobicContact CE-CH2 4.04Å; M598-W604 HydrophobicContact CE-CZ2 4.12Å; M598-W604 HydrophobicContact CG-CZ3 4.18Å; M598-F609 HydrophobicContact CB-CE2 4.27Å; M598-F609 HydrophobicContact CB-CZ 4.45Å; M598-F609 HydrophobicContact CE-CZ 4.45Å; M598-F609 HydrophobicContact CG-CE2 3.97Å; M598-F609 HydrophobicContact CG-CZ 3.78Å; M598-F609 HydrophobicContact SD-CZ 4.47Å |
| 599 | L | 87.5 | Confident | 87.9 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -79.8 | -39.8 | 177.1 | -76.7 | 177 | 0 | 0 | 0 | 112.8 | F565 F569 L573 I595 R596 Q597 L620 | F565-L599 HydrophobicContact CB-CD2 4.21Å; F565-L599 HydrophobicContact CD2-CD2 4.36Å; F569-L599 HydrophobicContact CB-CD1 4.31Å; F569-L599 HydrophobicContact CD2-CD1 4.13Å; F569-L599 HydrophobicContact CD2-CD2 3.6Å; F569-L599 HydrophobicContact CD2-CG 3.89Å; F569-L599 HydrophobicContact CE2-CD2 3.86Å; F569-L599 HydrophobicContact CE2-CG 4.28Å; L573-L599 HydrophobicContact CD2-CD1 4.43Å; I595-L599 HydrophobicContact CG2-CD1 4.23Å; I595-L599 PolarHBondContact O-N 3.22Å; R596-L599 PolarHBondContact O-N 2.95Å; Q597-L599 VanDerWaalsContact C-N 3.26Å; Q597-L599 PolarHBondContact O-N 3.46Å; L599-L620 HydrophobicContact CD2-CD1 4.18Å; L599-L620 HydrophobicContact CD2-CD2 4.38Å |
| 600 | N | 83.6 | Confident | 87.7 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -101 | -28.3 | -169.2 | -65.5 | -42.8 | 0 | 0 | 0 | 114.3 | R596 Q597 | R596-N600 VanDerWaalsContact O-CB 3.31Å; R596-N600 WeakPolarHBondContact O-CB 3.48Å; R596-N600 PolarHBondContact O-N 3.28Å; R596-N600 PolarHBondContact O-ND2 3.36Å; R596-N600 VanDerWaalsContact O-ND2 3.07Å; Q597-N600 PolarHBondContact O-N 3.33Å |
| 601 | K | 84.7 | Confident | 87.4 | Confident | 110 Ų | 110 | 43.2 Ų | 43.2 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | trans | -101.4 | 132.5 | 179 | -60.9 | -177.2 | -176.7 | 173 | 0 | 110.4 | Q597 | Q597-K601 HydrophobicContact CB-CD 4.39Å; Q597-K601 HydrophobicContact CG-CD 4.36Å; Q597-K601 WeakPolarHBondContact O-CA 3.38Å; Q597-K601 WeakPolarHBondContact O-CB 3.46Å; Q597-K601 PolarHBondContact O-N 3.15Å | ||
| 602 | L | 85.4 | Confident | 87.2 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -79.2 | -32.5 | 174.9 | -174.6 | 64.8 | 0 | 0 | 0 | 112 | L608 F609 R611 | L602-L608 HydrophobicContact CG-CD2 4.32Å; L602-F609 WeakPolarHBondContact CD1-O 3.27Å; L602-F609 PolarHBondContact O-N 2.86Å; L602-R611 HydrophobicContact CD1-CB 4.47Å; L602-R611 HydrophobicContact CD1-CG 3.81Å; L602-R611 HydrophobicContact CD2-CG 4.13Å |
| 603 | E | 86.3 | Confident | 86.8 | Confident | 123 Ų | 123 | 46.1 Ų | 46.1 | 58% | 0.575 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.1 | 179.9 | -175.8 | 172 | -173.4 | 0 | 0 | 111.1 | L608 | E603-L608 HydrophobicContact CB-CD2 4.29Å |
| 604 | W | 90.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 104.7 | 173.3 | -172 | -97.8 | 0 | 0 | 0 | 108.7 | L487 M554 P581 M594 Q597 M598 T606 T607 F609 | L487-W604 HydrophobicContact CB-CZ2 4.25Å; L487-W604 PolarHBondContact O-NE1 3.35Å; M554-W604 HydrophobicContact CE-CD2 4.32Å; M554-W604 VanDerWaalsContact CE-CE2 3.48Å; M554-W604 HydrophobicContact CE-CG 4.32Å; M554-W604 HydrophobicContact CE-CZ2 3.96Å; P581-W604 HydrophobicContact CB-CH2 4.05Å; P581-W604 HydrophobicContact CB-CZ2 3.73Å; P581-W604 HydrophobicContact CG-CH2 4.2Å; P581-W604 HydrophobicContact CG-CZ2 4.33Å; M594-W604 HydrophobicContact CG-CH2 3.66Å; M594-W604 HydrophobicContact CG-CZ3 4.45Å; M594-W604 HydrophobicContact SD-CH2 4.39Å; Q597-W604 HydrophobicContact CB-CZ3 4.3Å; M598-W604 HydrophobicContact CE-CH2 4.04Å; M598-W604 HydrophobicContact CE-CZ2 4.12Å; M598-W604 HydrophobicContact CG-CZ3 4.18Å; W604-T606 PolarHBondContact O-N 3.46Å; W604-T607 HydrophobicContact CB-CG2 4.4Å; W604-T607 PolarHBondContact N-O 3.5Å; W604-T607 WeakPolarHBondContact O-CG2 3.46Å; W604-T607 PolarHBondContact O-N 3.33Å; W604-F609 HydrophobicContact CB-CD2 3.95Å; W604-F609 HydrophobicContact CB-CE1 4.2Å; W604-F609 HydrophobicContact CB-CE2 3.5Å; W604-F609 HydrophobicContact CB-CG 4.48Å; W604-F609 HydrophobicContact CB-CZ 3.62Å; W604-F609 AromaticContact CD2-CE2 3.76Å; W604-F609 HydrophobicContact CD2-CE2 3.76Å; W604-F609 AromaticContact CD2-CZ 3.47Å; W604-F609 HydrophobicContact CD2-CZ 3.47Å; W604-F609 VanDerWaalsContact CD2-CZ 3.47Å; W604-F609 AromaticContact CE3-CE2 3.55Å; W604-F609 HydrophobicContact CE3-CE2 3.55Å; W604-F609 AromaticContact CE3-CZ 3.65Å; W604-F609 HydrophobicContact CE3-CZ 3.65Å; W604-F609 HydrophobicContact CG-CE1 4.17Å; W604-F609 AromaticContact CG-CE2 3.79Å; W604-F609 HydrophobicContact CG-CE2 3.79Å; W604-F609 AromaticContact CG-CZ 3.47Å; W604-F609 HydrophobicContact CG-CZ 3.47Å; W604-F609 VanDerWaalsContact CG-CZ 3.47Å; W604-F609 HydrophobicContact CZ3-CE2 4.47Å; W604-F609 HydrophobicContact CZ3-CZ 4.47Å |
| 605 | Y | 85.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 37.7 | 62.5 | 177.8 | -61.2 | -86.1 | 0 | 0 | 0 | 113.7 | E488 P489 P581 K582 E587 T607 | E488-Y605 VanDerWaalsContact CD-CD1 3.46Å; E488-Y605 HydrophobicContact CG-CD1 3.71Å; E488-Y605 HydrophobicContact CG-CD2 4.1Å; E488-Y605 HydrophobicContact CG-CE1 4.41Å; E488-Y605 HydrophobicContact CG-CG 3.53Å; E488-Y605 WeakPolarHBondContact OE1-CD1 3.29Å; P489-Y605 WeakPolarHBondContact CG-O 3.43Å; P581-Y605 HydrophobicContact CB-CE2 3.7Å; K582-Y605 HydrophobicContact CB-CE1 3.84Å; K582-Y605 HydrophobicContact CG-CE1 3.93Å; E587-Y605 WeakPolarHBondContact OE2-CE1 3.38Å; E587-Y605 PolarHBondContact OE2-OH 3.29Å; Y605-T607 VanDerWaalsContact C-N 3.28Å; Y605-T607 PolarHBondContact O-N 3.08Å |
| 606 | T | 71.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 1.2 | 177.9 | 80.3 | 0 | 0 | 0 | 0 | 117.5 | R495 W604 | R495-T606 PolarHBondContact NH1-OG1 2.8Å; W604-T606 PolarHBondContact O-N 3.46Å |
| 607 | T | 85 | Confident | 83.5 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 169.2 | 164.1 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | P489 F520 W604 Y605 | P489-T607 HydrophobicContact CG-CG2 4.03Å; F520-T607 HydrophobicContact CE1-CG2 4.49Å; F520-T607 HydrophobicContact CZ-CG2 4.19Å; W604-T607 HydrophobicContact CB-CG2 4.4Å; W604-T607 PolarHBondContact N-O 3.5Å; W604-T607 WeakPolarHBondContact O-CG2 3.46Å; W604-T607 PolarHBondContact O-N 3.33Å; Y605-T607 VanDerWaalsContact C-N 3.28Å; Y605-T607 PolarHBondContact O-N 3.08Å |
| 608 | L | 86.7 | Confident | 82.3 | Confident | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.3 | 175.2 | -60.2 | 178.6 | 0 | 0 | 0 | 109.1 | L602 E603 | L602-L608 HydrophobicContact CG-CD2 4.32Å; E603-L608 HydrophobicContact CB-CD2 4.29Å |
| 609 | F | 90.9 | Very high | 81 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 157.5 | 164.2 | -74.6 | -57.2 | 0 | 0 | 0 | 110.7 | M554 R557 Y558 M598 L602 W604 R611 | M554-F609 HydrophobicContact CE-CE1 4.49Å; R557-F609 HydrophobicContact CB-CE1 4.44Å; R557-F609 HydrophobicContact CG-CD1 3.55Å; R557-F609 HydrophobicContact CG-CD2 4.43Å; R557-F609 HydrophobicContact CG-CE1 3.73Å; R557-F609 HydrophobicContact CG-CG 3.95Å; R557-F609 HydrophobicContact CG-CZ 4.25Å; R557-F609 VanDerWaalsContact CZ-CB 3.5Å; R557-F609 VanDerWaalsContact NH2-CB 3.29Å; Y558-F609 HydrophobicContact CD2-CD1 4.23Å; Y558-F609 HydrophobicContact CD2-CE1 4.24Å; Y558-F609 HydrophobicContact CE1-CD1 4.42Å; Y558-F609 AromaticContact CE2-CD1 3.56Å; Y558-F609 HydrophobicContact CE2-CD1 3.56Å; Y558-F609 AromaticContact CE2-CE1 3.51Å; Y558-F609 HydrophobicContact CE2-CE1 3.51Å; Y558-F609 AromaticContact CZ-CD1 3.65Å; M598-F609 HydrophobicContact CB-CE2 4.27Å; M598-F609 HydrophobicContact CB-CZ 4.45Å; M598-F609 HydrophobicContact CE-CZ 4.45Å; M598-F609 HydrophobicContact CG-CE2 3.97Å; M598-F609 HydrophobicContact CG-CZ 3.78Å; M598-F609 HydrophobicContact SD-CZ 4.47Å; L602-F609 WeakPolarHBondContact CD1-O 3.27Å; L602-F609 PolarHBondContact O-N 2.86Å; W604-F609 HydrophobicContact CB-CD2 3.95Å; W604-F609 HydrophobicContact CB-CE1 4.2Å; W604-F609 HydrophobicContact CB-CE2 3.5Å; W604-F609 HydrophobicContact CB-CG 4.48Å; W604-F609 HydrophobicContact CB-CZ 3.62Å; W604-F609 AromaticContact CD2-CE2 3.76Å; W604-F609 HydrophobicContact CD2-CE2 3.76Å; W604-F609 AromaticContact CD2-CZ 3.47Å; W604-F609 HydrophobicContact CD2-CZ 3.47Å; W604-F609 VanDerWaalsContact CD2-CZ 3.47Å; W604-F609 AromaticContact CE3-CE2 3.55Å; W604-F609 HydrophobicContact CE3-CE2 3.55Å; W604-F609 AromaticContact CE3-CZ 3.65Å; W604-F609 HydrophobicContact CE3-CZ 3.65Å; W604-F609 HydrophobicContact CG-CE1 4.17Å; W604-F609 AromaticContact CG-CE2 3.79Å; W604-F609 HydrophobicContact CG-CE2 3.79Å; W604-F609 AromaticContact CG-CZ 3.47Å; W604-F609 HydrophobicContact CG-CZ 3.47Å; W604-F609 VanDerWaalsContact CG-CZ 3.47Å; W604-F609 HydrophobicContact CZ3-CE2 4.47Å; W604-F609 HydrophobicContact CZ3-CZ 4.47Å; F609-R611 PolarHBondContact O-N 3.5Å |
| 610 | P | 88.7 | Confident | 79.8 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.104 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 131.1 | 169.9 | -23 | 34.6 | 0 | 0 | 0 | 110 | W441 N448 R557 Y558 I612 | W441-P610 HydrophobicContact CZ3-CB 4.24Å; N448-P610 HydrophobicContact CB-CB 4.23Å; N448-P610 HydrophobicContact CB-CG 3.56Å; R557-P610 VanDerWaalsContact CZ-O 3.3Å; R557-P610 PolarHBondContact NH1-O 3.31Å; R557-P610 PolarHBondContact NH2-O 3.01Å; Y558-P610 HydrophobicContact CD1-CG 3.76Å; Y558-P610 HydrophobicContact CE1-CG 4.16Å; P610-I612 PolarHBondContact O-N 3.43Å |
| 611 | R | 84.8 | Confident | 78.3 | Confident | 190 Ų | 190 | 61.1 Ų | 61.1 | 72% | 0.717 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 133.1 | -178 | -72.8 | -176.7 | -164.4 | -147 | 4 | 110.7 | L602 F609 | L602-R611 HydrophobicContact CD1-CB 4.47Å; L602-R611 HydrophobicContact CD1-CG 3.81Å; L602-R611 HydrophobicContact CD2-CG 4.13Å; F609-R611 PolarHBondContact O-N 3.5Å |
| 612 | I | 86.2 | Confident | 76.7 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 127.8 | 171.1 | -62.2 | 171.7 | 0 | 0 | 0 | 107.6 | P562 F565 P610 V614 I616 Q617 L620 | P562-I612 HydrophobicContact CB-CG2 4.14Å; F565-I612 HydrophobicContact CD2-CD1 3.96Å; F565-I612 HydrophobicContact CD2-CG1 4.25Å; F565-I612 HydrophobicContact CE2-CD1 3.95Å; F565-I612 HydrophobicContact CE2-CG1 3.84Å; P610-I612 PolarHBondContact O-N 3.43Å; I612-V614 PolarHBondContact O-N 2.85Å; I612-I616 HydrophobicContact CG2-CB 3.96Å; I612-I616 HydrophobicContact CG2-CG2 4.07Å; I612-Q617 HydrophobicContact CB-CB 4.48Å; I612-Q617 HydrophobicContact CG2-CB 4.03Å; I612-L620 HydrophobicContact CD1-CD1 4.16Å; I612-L620 HydrophobicContact CG2-CD1 4.21Å |
| 613 | P | 80.4 | Confident | 75.1 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -53 | 132.8 | 173.7 | -27.1 | 33.3 | 0 | 0 | 0 | 112.1 | P615 I616 Q617 | P613-P615 VanDerWaalsContact C-N 3.33Å; P613-P615 VanDerWaalsContact O-N 3.16Å; P613-I616 HydrophobicContact CB-CD1 3.95Å; P613-I616 HydrophobicContact CB-CG1 4.39Å; P613-I616 HydrophobicContact CG-CD1 3.92Å; P613-I616 WeakPolarHBondContact O-CB 3.34Å; P613-I616 PolarHBondContact O-N 3.13Å; P613-Q617 PolarHBondContact O-N 2.85Å; P613-Q617 VanDerWaalsContact O-N 3.08Å |
| 614 | V | 75.8 | Confident | 72.9 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 66% | 0.661 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -48.8 | -42.7 | -175.5 | 178.8 | 0 | 0 | 0 | 0 | 114.1 | I612 I616 Q617 S618 | I612-V614 PolarHBondContact O-N 2.85Å; V614-I616 PolarHBondContact O-N 2.95Å; V614-I616 VanDerWaalsContact O-N 3.15Å; V614-Q617 PolarHBondContact O-N 3.13Å; V614-S618 PolarHBondContact O-N 2.72Å; V614-S618 PolarHBondContact O-OG 3.47Å |
| 615 | P | 71.5 | Confident | 70.5 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 64% | 0.643 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.5 | -22.3 | 179.1 | -23.9 | 35.3 | 0 | 0 | 0 | 114.6 | P613 S618 V619 | P613-P615 VanDerWaalsContact C-N 3.33Å; P613-P615 VanDerWaalsContact O-N 3.16Å; P615-S618 PolarHBondContact O-OG 3.14Å; P615-V619 WeakPolarHBondContact O-CG2 3.09Å |
| 616 | I | 75.6 | Confident | 68.3 | Low | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -89.7 | -43 | 177.5 | -53.5 | 167.4 | 0 | 0 | 0 | 108.7 | P562 N563 I612 P613 V614 S618 V619 L620 | P562-I616 HydrophobicContact CB-CD1 3.8Å; N563-I616 WeakPolarHBondContact OD1-CD1 3.11Å; N563-I616 WeakPolarHBondContact OD1-CG1 3.4Å; I612-I616 HydrophobicContact CG2-CB 3.96Å; I612-I616 HydrophobicContact CG2-CG2 4.07Å; P613-I616 HydrophobicContact CB-CD1 3.95Å; P613-I616 HydrophobicContact CB-CG1 4.39Å; P613-I616 HydrophobicContact CG-CD1 3.92Å; P613-I616 WeakPolarHBondContact O-CB 3.34Å; P613-I616 PolarHBondContact O-N 3.13Å; V614-I616 PolarHBondContact O-N 2.95Å; V614-I616 VanDerWaalsContact O-N 3.15Å; I616-S618 PolarHBondContact O-N 2.74Å; I616-V619 PolarHBondContact O-N 3.49Å; I616-L620 HydrophobicContact CG2-CD1 4.11Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CG 3.35Å; I616-L620 PolarHBondContact O-N 3.16Å |
| 617 | Q | 72.7 | Confident | 66.5 | Low | 89 Ų | 89 | 59.1 Ų | 59.1 | 42% | 0.416 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -31 | 179.1 | -166 | 176.4 | 16.4 | 0 | 0 | 112.6 | I612 P613 V614 V619 P621 | I612-Q617 HydrophobicContact CB-CB 4.48Å; I612-Q617 HydrophobicContact CG2-CB 4.03Å; P613-Q617 PolarHBondContact O-N 2.85Å; P613-Q617 VanDerWaalsContact O-N 3.08Å; V614-Q617 PolarHBondContact O-N 3.13Å; Q617-V619 VanDerWaalsContact C-N 3.26Å; Q617-V619 PolarHBondContact O-N 3.42Å; Q617-P621 WeakPolarHBondContact O-CD 3.49Å |
| 618 | S | 64 | Low | 64.1 | Low | 85 Ų | 85 | 64.2 Ų | 64.2 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.6 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | V614 P615 I616 | V614-S618 PolarHBondContact O-N 2.72Å; V614-S618 PolarHBondContact O-OG 3.47Å; P615-S618 PolarHBondContact O-OG 3.14Å; I616-S618 PolarHBondContact O-N 2.74Å |
| 619 | V | 62.5 | Low | 61.1 | Low | 74 Ų | 74 | 67.1 Ų | 67.1 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -29 | -175.8 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | P615 I616 Q617 K623 | P615-V619 WeakPolarHBondContact O-CG2 3.09Å; I616-V619 PolarHBondContact O-N 3.49Å; Q617-V619 VanDerWaalsContact C-N 3.26Å; Q617-V619 PolarHBondContact O-N 3.42Å; V619-K623 HydrophobicContact CG1-CD 4.33Å; V619-K623 HydrophobicContact CG1-CG 4.49Å; V619-K623 WeakPolarHBondContact O-CG 3.33Å; V619-K623 PolarHBondContact O-N 2.99Å |
| 620 | L | 61.7 | Low | 58.2 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | -176.1 | -67.4 | 164.7 | 0 | 0 | 0 | 113.9 | W566 L599 I612 I616 G622 K623 S624 | W566-L620 HydrophobicContact CB-CD2 3.99Å; W566-L620 HydrophobicContact CD2-CD2 4.4Å; W566-L620 HydrophobicContact CE3-CD2 3.69Å; L599-L620 HydrophobicContact CD2-CD1 4.18Å; L599-L620 HydrophobicContact CD2-CD2 4.38Å; I612-L620 HydrophobicContact CD1-CD1 4.16Å; I612-L620 HydrophobicContact CG2-CD1 4.21Å; I616-L620 HydrophobicContact CG2-CD1 4.11Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CG 3.35Å; I616-L620 PolarHBondContact O-N 3.16Å; L620-G622 PolarHBondContact O-N 3.33Å; L620-K623 PolarHBondContact O-N 2.86Å; L620-S624 PolarHBondContact O-N 3.1Å |
| 621 | P | 53 | Low | 55.1 | Low | 50 Ų | 50 | 73.8 Ų | 73.8 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 179.7 | -21.4 | 31.6 | 0 | 0 | 0 | 112.4 | Q617 K623 S624 N625 | Q617-P621 WeakPolarHBondContact O-CD 3.49Å; P621-K623 PolarHBondContact O-N 3.31Å; P621-S624 PolarHBondContact O-N 2.84Å; P621-N625 PolarHBondContact O-N 3.23Å |
| 622 | G | 50.6 | Low | 52.3 | Low | 54 Ų | 54 | 66.4 Ų | 66.4 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.8 | -33.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L620 | L620-G622 PolarHBondContact O-N 3.33Å |
| 623 | K | 52.2 | Low | 49.4 | Very low | 87 Ų | 87 | 69.7 Ų | 69.7 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78.6 | -27.9 | 173.9 | -65.6 | -178.2 | 172.9 | -174.5 | 0 | 113.8 | W566 V619 L620 P621 S626 Y627 | W566-K623 HydrophobicContact CD2-CB 3.97Å; W566-K623 HydrophobicContact CD2-CD 3.63Å; W566-K623 HydrophobicContact CD2-CG 4.48Å; W566-K623 HydrophobicContact CE3-CB 3.95Å; W566-K623 HydrophobicContact CE3-CD 4.19Å; W566-K623 HydrophobicContact CG-CD 3.84Å; W566-K623 HydrophobicContact CH2-CB 3.42Å; W566-K623 VanDerWaalsContact CH2-CB 3.42Å; W566-K623 WeakPolarHBondContact CH2-O 3.39Å; W566-K623 HydrophobicContact CZ2-CB 3.44Å; W566-K623 VanDerWaalsContact CZ2-CB 3.44Å; W566-K623 HydrophobicContact CZ2-CD 4.3Å; W566-K623 HydrophobicContact CZ2-CG 4.43Å; W566-K623 WeakPolarHBondContact CZ2-O 3.2Å; W566-K623 HydrophobicContact CZ3-CB 3.67Å; V619-K623 HydrophobicContact CG1-CD 4.33Å; V619-K623 HydrophobicContact CG1-CG 4.49Å; V619-K623 WeakPolarHBondContact O-CG 3.33Å; V619-K623 PolarHBondContact O-N 2.99Å; L620-K623 PolarHBondContact O-N 2.86Å; P621-K623 PolarHBondContact O-N 3.31Å; K623-S626 PolarHBondContact O-OG 3.45Å; K623-Y627 WeakPolarHBondContact O-CD2 3.36Å; K623-Y627 WeakPolarHBondContact O-CE2 3.43Å |
| 624 | S | 40.4 | Very low | 46.9 | Very low | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -82.1 | -40.9 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | L620 P621 S626 Y627 | L620-S624 PolarHBondContact O-N 3.1Å; P621-S624 PolarHBondContact O-N 2.84Å; S624-S626 VanDerWaalsContact C-N 3.26Å; S624-S626 PolarHBondContact O-N 2.85Å; S624-Y627 WeakPolarHBondContact O-CB 3.46Å; S624-Y627 PolarHBondContact O-N 3.38Å; S624-Y627 VanDerWaalsContact O-N 3.1Å |
| 625 | N | 39.9 | Very low | 44.5 | Very low | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.9 | -28.9 | -180 | -85.2 | 7.8 | 0 | 0 | 0 | 111.9 | P621 Y627 L628 | P621-N625 PolarHBondContact O-N 3.23Å; N625-Y627 PolarHBondContact O-N 3.34Å; N625-L628 PolarHBondContact O-N 3.16Å |
| 626 | S | 41 | Very low | 42.2 | Very low | 42 Ų | 42 | 72.9 Ų | 72.9 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 7.1 | 171.1 | 72.2 | 0 | 0 | 0 | 0 | 114 | K623 S624 F630 | K623-S626 PolarHBondContact O-OG 3.45Å; S624-S626 VanDerWaalsContact C-N 3.26Å; S624-S626 PolarHBondContact O-N 2.85Å; S626-F630 WeakPolarHBondContact O-CE2 3.39Å; S626-F630 WeakPolarHBondContact O-CZ 3.35Å |
| 627 | Y | 34 | Very low | 39.9 | Very low | 64 Ų | 64 | 76.8 Ų | 76.8 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -23.9 | 171.2 | -76.4 | -98.9 | 0 | 0 | 0 | 113.2 | W566 E570 K623 S624 N625 E629 | W566-Y627 HydrophobicContact CH2-CD2 4.45Å; W566-Y627 HydrophobicContact CH2-CE2 4.12Å; W566-Y627 AromaticContact CZ2-CE2 3.74Å; W566-Y627 HydrophobicContact CZ2-CE2 3.74Å; E570-Y627 WeakPolarHBondContact CG-OH 3.36Å; E570-Y627 PolarHBondContact OE1-OH 3.11Å; K623-Y627 WeakPolarHBondContact O-CD2 3.36Å; K623-Y627 WeakPolarHBondContact O-CE2 3.43Å; S624-Y627 WeakPolarHBondContact O-CB 3.46Å; S624-Y627 PolarHBondContact O-N 3.38Å; S624-Y627 VanDerWaalsContact O-N 3.1Å; N625-Y627 PolarHBondContact O-N 3.34Å; Y627-E629 PolarHBondContact O-N 3.4Å |
| 628 | L | 32.6 | Very low | 37.4 | Very low | 110 Ų | 110 | 78.8 Ų | 78.8 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.4 | -167.8 | -72.4 | 171.8 | 0 | 0 | 0 | 115.1 | N625 | N625-L628 PolarHBondContact O-N 3.16Š|
| 629 | E | 24.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 83 Ų | 83 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 15.2 | -174.9 | -68.3 | -174.1 | 174.5 | 0 | 0 | 115.3 | Y627 | Y627-E629 PolarHBondContact O-N 3.4Š|
| 630 | F | 29 | Very low | 33.4 | Very low | 70 Ų | 70 | 84.3 Ų | 84.3 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | trans | -111.7 | 73.9 | -160.7 | -70.2 | -112 | 0 | 0 | 0 | 114.7 | Y343 S626 | Y343-F630 VanDerWaalsContact CB-CZ 3.48Å; Y343-F630 HydrophobicContact CD2-CZ 4.49Å; Y343-F630 HydrophobicContact CG-CZ 4.33Å; Y343-F630 WeakPolarHBondContact O-CE1 3.26Å; S626-F630 WeakPolarHBondContact O-CE2 3.39Å; S626-F630 WeakPolarHBondContact O-CZ 3.35Å | ||
| 631 | D | 24.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 89.4 Ų | 89.4 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | trans | -98.7 | 115.5 | 155.2 | -94.8 | -29 | 0 | 0 | 0 | 110.2 | R297 T695 | R297-D631 IonicContact NH1-OD1 2.63Å; D631-T695 WeakPolarHBondContact OD2-CG2 3.47Å | ||
| 632 | P | 24.9 | Very low | 30 | Very low | 35 Ų | 35 | 94 Ų | 94 | 23% | 0.227 | 50% | 0.497 | C | S | . | . | trans | -66 | 132.8 | 177.6 | 24.9 | -30.1 | 0 | 0 | 0 | 109.9 | Y634 A635 | P632-Y634 PolarHBondContact O-N 3.3Å; P632-A635 PolarHBondContact O-N 3.47Å | ||
| 633 | P | 26.7 | Very low | 28.8 | Very low | 80 Ų | 80 | 101.2 Ų | 101.2 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -58.8 | -18.2 | -175.4 | -24.7 | 32.5 | 0 | 0 | 0 | 115.1 | L344 K636 | L344-P633 HydrophobicContact CD2-CG 4.14Å; P633-K636 PolarHBondContact O-N 3.45Å |
| 634 | Y | 27.9 | Very low | 27.4 | Very low | 101 Ų | 101 | 102.6 Ų | 102.6 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -95.3 | 14.3 | -175.8 | -70.4 | -84.6 | 0 | 0 | 0 | 115.4 | D347 H350 P632 K636 D637 | D347-Y634 HydrophobicContact CB-CE2 4.4Å; D347-Y634 WeakPolarHBondContact OD2-CD2 3.48Å; D347-Y634 WeakPolarHBondContact OD2-CE2 3.47Å; H350-Y634 AromaticContact NE2-CZ 3.94Å; H350-Y634 PolarHBondContact NE2-OH 3.44Å; H350-Y634 VanDerWaalsContact NE2-OH 3.15Å; P632-Y634 PolarHBondContact O-N 3.3Å; Y634-K636 PolarHBondContact O-N 2.92Å; Y634-D637 HydrophobicContact CD1-CB 4.02Å; Y634-D637 WeakPolarHBondContact CD1-OD2 3.34Å; Y634-D637 WeakPolarHBondContact CE1-OD2 2.92Å |
| 635 | A | 24.2 | Very low | 26.8 | Very low | 65 Ų | 65 | 105.3 Ų | 105.3 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -63.4 | -15.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P632 F639 | P632-A635 PolarHBondContact O-N 3.47Å; A635-F639 VanDerWaalsContact O-CD2 3.28Å; A635-F639 WeakPolarHBondContact O-CD2 3.24Å |
| 636 | K | 24.2 | Very low | 26.2 | Very low | 160 Ų | 160 | 106 Ų | 106 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -78.6 | -33.1 | 176.3 | -79.5 | -177.3 | 173.7 | 175.7 | 0 | 114.9 | P633 Y634 F638 F639 | P633-K636 PolarHBondContact O-N 3.45Å; Y634-K636 PolarHBondContact O-N 2.92Å; K636-F638 VanDerWaalsContact C-N 3.28Å; K636-F638 PolarHBondContact O-N 2.9Å; K636-F639 PolarHBondContact O-N 3.18Å |
| 637 | D | 26.1 | Very low | 25.6 | Very low | 106 Ų | 106 | 106.1 Ų | 106.1 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10.1 | -170.2 | -67.2 | -5.7 | 0 | 0 | 0 | 115 | Y634 | Y634-D637 HydrophobicContact CD1-CB 4.02Å; Y634-D637 WeakPolarHBondContact CD1-OD2 3.34Å; Y634-D637 WeakPolarHBondContact CE1-OD2 2.92Å |
| 638 | F | 21.8 | Very low | 25.6 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 8.8 | 158.7 | -111.6 | -97.9 | 0 | 0 | 0 | 113.7 | K636 | K636-F638 VanDerWaalsContact C-N 3.28Å; K636-F638 PolarHBondContact O-N 2.9Å |
| 639 | F | 21.6 | Very low | 25.5 | Very low | 175 Ų | 175 | 107.1 Ų | 107.1 | 77% | 0.768 | 56% | 0.56 | S | S | * | * | trans | -99.4 | 56.2 | 162.9 | -74.3 | -77.5 | 0 | 0 | 0 | 111.2 | A635 K636 | A635-F639 VanDerWaalsContact O-CD2 3.28Å; A635-F639 WeakPolarHBondContact O-CD2 3.24Å; K636-F639 PolarHBondContact O-N 3.18Å | ||
| 640 | V | 20.6 | Very low | 25.7 | Very low | 101 Ų | 101 | 109 Ų | 109 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | trans | -127.1 | 64.2 | 150 | -167.3 | 0 | 0 | 0 | 0 | 107 | D642 | V640-D642 VanDerWaalsContact C-N 3.26Å; V640-D642 HydrophobicContact CG1-CB 4.17Å; V640-D642 WeakPolarHBondContact CG1-OD1 3.34Å; V640-D642 PolarHBondContact O-N 3.16Å | ||
| 641 | V | 20.7 | Very low | 25.8 | Very low | 115 Ų | 115 | 109.1 Ų | 109.1 | 70% | 0.697 | 57% | 0.568 | S | S | * | * | trans | -70.9 | 106.7 | 134.9 | 179.8 | 0 | 0 | 0 | 0 | 102.9 | R643 | V641-R643 HydrophobicContact CG1-CB 4.13Å; V641-R643 HydrophobicContact CG1-CG 4.43Å; V641-R643 PolarHBondContact O-N 3.04Å | ||
| 642 | D | 22 | Very low | 26 | Very low | 146 Ų | 146 | 110 Ų | 110 | 78% | 0.781 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -61 | 41 | 177.3 | -109.1 | -25.3 | 0 | 0 | 0 | 113.2 | V640 | V640-D642 VanDerWaalsContact C-N 3.26Å; V640-D642 HydrophobicContact CG1-CB 4.17Å; V640-D642 WeakPolarHBondContact CG1-OD1 3.34Å; V640-D642 PolarHBondContact O-N 3.16Å |
| 643 | R | 24.9 | Very low | 26.4 | Very low | 205 Ų | 205 | 112.6 Ų | 112.6 | 77% | 0.774 | 59% | 0.59 | S | S | * | * | trans | -144.3 | 37.8 | -179 | -59.8 | -171.4 | -179.2 | -165.4 | -1.6 | 111.9 | V641 P645 | V641-R643 HydrophobicContact CG1-CB 4.13Å; V641-R643 HydrophobicContact CG1-CG 4.43Å; V641-R643 PolarHBondContact O-N 3.04Å; R643-P645 VanDerWaalsContact C-N 3.26Å; R643-P645 WeakPolarHBondContact O-CD 3.18Å | ||
| 644 | V | 23.2 | Very low | 26.7 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -77.3 | 95.7 | 133.5 | -178.3 | 0 | 0 | 0 | 0 | 103.2 | N646 F648 | V644-N646 PolarHBondContact O-N 3.08Å; V644-F648 HydrophobicContact CG1-CB 4.25Å |
| 645 | P | 27.4 | Very low | 26.8 | Very low | 63 Ų | 63 | 111.7 Ų | 111.7 | 41% | 0.409 | 60% | 0.597 | S | S | . | * | trans | -61.1 | 147.6 | -165.6 | -17.5 | 32 | 0 | 0 | 0 | 108.1 | R643 A647 F648 | R643-P645 VanDerWaalsContact C-N 3.26Å; R643-P645 WeakPolarHBondContact O-CD 3.18Å; P645-A647 HydrophobicContact CB-CB 4.37Å; P645-A647 WeakPolarHBondContact O-CA 3.44Å; P645-A647 PolarHBondContact O-N 2.84Å; P645-F648 PolarHBondContact O-N 3.08Å | ||
| 646 | N | 28.4 | Very low | 27 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | 1.3 | 168 | -75.4 | -38.6 | 0 | 0 | 0 | 115.2 | V644 R650 | V644-N646 PolarHBondContact O-N 3.08Å; N646-R650 VanDerWaalsContact O-CB 3.26Å; N646-R650 WeakPolarHBondContact O-CB 3.36Å; N646-R650 VanDerWaalsContact O-CG 3.23Å; N646-R650 WeakPolarHBondContact O-CG 3.25Å; N646-R650 PolarHBondContact O-N 2.74Å; N646-R650 PolarHBondContact O-NE 3.15Å |
| 647 | A | 28.7 | Very low | 27 | Very low | 45 Ų | 45 | 113.3 Ų | 113.3 | 37% | 0.372 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P645 A649 R650 T651 | P645-A647 HydrophobicContact CB-CB 4.37Å; P645-A647 WeakPolarHBondContact O-CA 3.44Å; P645-A647 PolarHBondContact O-N 2.84Å; A647-A649 PolarHBondContact O-N 3.14Å; A647-R650 CarbonylContact O-C 3.59Å; A647-R650 WeakPolarHBondContact O-CA 3.29Å; A647-R650 PolarHBondContact O-N 2.92Å; A647-R650 VanDerWaalsContact O-N 3.09Å; A647-T651 PolarHBondContact O-N 3.25Å; A647-T651 PolarHBondContact O-OG1 2.85Å |
| 648 | F | 32.6 | Very low | 27 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.6 | -43.5 | -176 | -172.8 | -98.1 | 0 | 0 | 0 | 112.5 | V644 P645 R650 T651 M652 | V644-F648 HydrophobicContact CG1-CB 4.25Å; P645-F648 PolarHBondContact O-N 3.08Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 2.65Å; F648-T651 PolarHBondContact O-N 2.76Å; F648-M652 HydrophobicContact CE1-CG 4.3Å; F648-M652 HydrophobicContact CZ-CG 4.42Å; F648-M652 PolarHBondContact O-N 2.92Å |
| 649 | A | 30.6 | Very low | 27.3 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 50% | 0.504 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64 | -35.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A647 S653 | A647-A649 PolarHBondContact O-N 3.14Å; A649-S653 PolarHBondContact O-N 3.14Å; A649-S653 PolarHBondContact O-OG 2.77Å |
| 650 | R | 30.2 | Very low | 27.5 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 64% | 0.638 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.4 | -38.5 | 174.4 | -81.5 | -174.8 | -83.3 | -161.3 | -0.4 | 113.1 | N646 A647 F648 S653 S654 | N646-R650 VanDerWaalsContact O-CB 3.26Å; N646-R650 WeakPolarHBondContact O-CB 3.36Å; N646-R650 VanDerWaalsContact O-CG 3.23Å; N646-R650 WeakPolarHBondContact O-CG 3.25Å; N646-R650 PolarHBondContact O-N 2.74Å; N646-R650 PolarHBondContact O-NE 3.15Å; A647-R650 CarbonylContact O-C 3.59Å; A647-R650 WeakPolarHBondContact O-CA 3.29Å; A647-R650 PolarHBondContact O-N 2.92Å; A647-R650 VanDerWaalsContact O-N 3.09Å; F648-R650 VanDerWaalsContact C-N 3.31Å; F648-R650 PolarHBondContact O-N 2.65Å; R650-S653 VanDerWaalsContact CA-OG 3.32Å; R650-S653 WeakPolarHBondContact CA-OG 3.21Å; R650-S653 PolarHBondContact O-N 3.14Å; R650-S653 PolarHBondContact O-OG 2.86Å; R650-S654 PolarHBondContact O-N 3.4Å |
| 651 | T | 31 | Very low | 27.8 | Very low | 72 Ų | 72 | 113.1 Ų | 113.1 | 44% | 0.442 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 175.8 | -51.3 | 0 | 0 | 0 | 0 | 110.1 | A647 F648 S653 S654 V655 | A647-T651 PolarHBondContact O-N 3.25Å; A647-T651 PolarHBondContact O-OG1 2.85Å; F648-T651 PolarHBondContact O-N 2.76Å; T651-S653 PolarHBondContact O-N 3.05Å; T651-S654 PolarHBondContact O-N 2.83Å; T651-S654 VanDerWaalsContact O-N 3.15Å; T651-S654 PolarHBondContact O-OG 3.19Å; T651-V655 WeakPolarHBondContact O-CG2 3.45Å; T651-V655 PolarHBondContact O-N 2.96Å |
| 652 | M | 29.5 | Very low | 28.2 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 55% | 0.547 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.7 | -30.6 | 176.8 | -74.2 | -62.4 | -65.9 | 0 | 0 | 113.5 | F648 S654 V655 | F648-M652 HydrophobicContact CE1-CG 4.3Å; F648-M652 HydrophobicContact CZ-CG 4.42Å; F648-M652 PolarHBondContact O-N 2.92Å; M652-S654 VanDerWaalsContact C-N 3.29Å; M652-V655 CarbonylContact O-C 3.52Å; M652-V655 PolarHBondContact O-N 3.15Å |
| 653 | S | 33.3 | Very low | 28.5 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.5 | -20.3 | 171.8 | 36.9 | 0 | 0 | 0 | 0 | 113 | A649 R650 T651 | A649-S653 PolarHBondContact O-N 3.14Å; A649-S653 PolarHBondContact O-OG 2.77Å; R650-S653 VanDerWaalsContact CA-OG 3.32Å; R650-S653 WeakPolarHBondContact CA-OG 3.21Å; R650-S653 PolarHBondContact O-N 3.14Å; R650-S653 PolarHBondContact O-OG 2.86Å; T651-S653 PolarHBondContact O-N 3.05Å |
| 654 | S | 31.6 | Very low | 28.8 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.7 | -21.5 | 169.7 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | R650 T651 M652 | R650-S654 PolarHBondContact O-N 3.4Å; T651-S654 PolarHBondContact O-N 2.83Å; T651-S654 VanDerWaalsContact O-N 3.15Å; T651-S654 PolarHBondContact O-OG 3.19Å; M652-S654 VanDerWaalsContact C-N 3.29Å |
| 655 | V | 29.9 | Very low | 29.3 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 43% | 0.43 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -103.2 | 87.7 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | T651 M652 Q657 | T651-V655 WeakPolarHBondContact O-CG2 3.45Å; T651-V655 PolarHBondContact O-N 2.96Å; M652-V655 CarbonylContact O-C 3.52Å; M652-V655 PolarHBondContact O-N 3.15Å; V655-Q657 PolarHBondContact O-N 2.94Å |
| 656 | G | 28.4 | Very low | 29.4 | Very low | 68 Ų | 68 | 111.6 Ų | 111.6 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | trans | -36.3 | 124.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | K658 | G656-K658 PolarHBondContact O-N 3.47Š| ||
| 657 | Q | 24.2 | Very low | 29.7 | Very low | 191 Ų | 191 | 109.2 Ų | 109.2 | 89% | 0.893 | 63% | 0.626 | S | S | * | * | trans | -51.2 | 122 | 171.9 | -78.3 | -179.3 | -32.1 | 0 | 0 | 111.7 | V655 | V655-Q657 PolarHBondContact O-N 2.94Š| ||
| 658 | K | 27.4 | Very low | 30 | Very low | 202 Ų | 202 | 116.8 Ų | 116.8 | 88% | 0.878 | 65% | 0.651 | S | S | * | * | trans | -115 | 131.4 | 147 | -85.4 | -176.8 | 176.7 | 176.8 | 0 | 108.4 | G656 | G656-K658 PolarHBondContact O-N 3.47Š| ||
| 659 | S | 27.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | trans | -39.8 | 141.5 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | A661 | S659-A661 PolarHBondContact O-N 3.43Š| ||
| 660 | V | 26 | Very low | 30 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 90% | 0.897 | 65% | 0.648 | S | S | * | * | trans | -43 | 99.8 | 164 | -178.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 661 | A | 26.3 | Very low | 30.1 | Very low | 52 Ų | 52 | 116.2 Ų | 116.2 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | trans | -81.6 | 131.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S659 A665 | S659-A661 PolarHBondContact O-N 3.43Å; A661-A665 HydrophobicContact CB-CB 4.4Å | ||
| 662 | S | 28.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 116.1 Ų | 116.1 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | trans | -59.7 | 155.8 | 171.2 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | E664 A665 | S662-E664 PolarHBondContact O-N 3.37Å; S662-A665 PolarHBondContact O-N 2.84Å | ||
| 663 | Q | 28.1 | Very low | 30.1 | Very low | 180 Ų | 180 | 116.1 Ų | 116.1 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -51.4 | -13.7 | -173.5 | -152.6 | 173.9 | 8.1 | 0 | 0 | 115.6 | A665 | Q663-A665 VanDerWaalsContact C-N 3.29Å; Q663-A665 PolarHBondContact O-N 3.47Å |
| 664 | E | 32 | Very low | 29.7 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -76.1 | -8.3 | -177.3 | -66.2 | -177.3 | 154.9 | 0 | 0 | 114.5 | S662 | S662-E664 PolarHBondContact O-N 3.37Š|
| 665 | A | 33.5 | Very low | 29.5 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -91 | 2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | A661 S662 Q663 P667 | A661-A665 HydrophobicContact CB-CB 4.4Å; S662-A665 PolarHBondContact O-N 2.84Å; Q663-A665 VanDerWaalsContact C-N 3.29Å; Q663-A665 PolarHBondContact O-N 3.47Å; A665-P667 VanDerWaalsContact O-CD 3.32Å; A665-P667 WeakPolarHBondContact O-CD 3.43Å |
| 666 | L | 30.1 | Very low | 29.6 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 47% | 0.471 | 69% | 0.687 | S | S | . | * | trans | -75.5 | 121.8 | 179.8 | -95.1 | 140.3 | 0 | 0 | 0 | 111.6 | Y670 | L666-Y670 HydrophobicContact CD2-CD2 3.98Å; L666-Y670 HydrophobicContact CD2-CG 3.87Å | ||
| 667 | P | 34.5 | Very low | 29.7 | Very low | 68 Ų | 68 | 130 Ų | 130 | 44% | 0.442 | 69% | 0.69 | S | S | . | * | trans | -57.4 | 141.7 | 168.2 | -23.7 | 34.9 | 0 | 0 | 0 | 110.5 | A665 E669 Y670 | A665-P667 VanDerWaalsContact O-CD 3.32Å; A665-P667 WeakPolarHBondContact O-CD 3.43Å; P667-E669 PolarHBondContact O-N 2.83Å; P667-Y670 HydrophobicContact CB-CD2 3.97Å; P667-Y670 HydrophobicContact CB-CE2 3.89Å; P667-Y670 HydrophobicContact CG-CD2 4.13Å; P667-Y670 HydrophobicContact CG-CE2 3.74Å; P667-Y670 WeakPolarHBondContact O-CD2 3.41Å; P667-Y670 PolarHBondContact O-N 3.27Å; P667-Y670 VanDerWaalsContact O-N 3.16Å | ||
| 668 | K | 35.7 | Very low | 30.2 | Very low | 205 Ų | 205 | 123.1 Ų | 123.1 | 89% | 0.891 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -13.1 | -178.6 | -76.7 | -177.8 | 174.9 | 178.6 | 0 | 114.5 | Y670 | K668-Y670 VanDerWaalsContact C-N 3.25Å; K668-Y670 PolarHBondContact O-N 2.86Å |
| 669 | E | 32.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 118.7 Ų | 118.7 | 73% | 0.729 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -18.1 | 179.9 | -67.7 | 154.1 | -154.9 | 0 | 0 | 112.9 | P667 T671 | P667-E669 PolarHBondContact O-N 2.83Å; E669-T671 PolarHBondContact O-N 3.23Å |
| 670 | Y | 30.2 | Very low | 31 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 29% | 0.294 | 63% | 0.625 | S | S | . | * | trans | -89.2 | 73.4 | 177.1 | -60.8 | -86.1 | 0 | 0 | 0 | 111 | L666 P667 K668 V672 I702 P709 | L666-Y670 HydrophobicContact CD2-CD2 3.98Å; L666-Y670 HydrophobicContact CD2-CG 3.87Å; P667-Y670 HydrophobicContact CB-CD2 3.97Å; P667-Y670 HydrophobicContact CB-CE2 3.89Å; P667-Y670 HydrophobicContact CG-CD2 4.13Å; P667-Y670 HydrophobicContact CG-CE2 3.74Å; P667-Y670 WeakPolarHBondContact O-CD2 3.41Å; P667-Y670 PolarHBondContact O-N 3.27Å; P667-Y670 VanDerWaalsContact O-N 3.16Å; K668-Y670 VanDerWaalsContact C-N 3.25Å; K668-Y670 PolarHBondContact O-N 2.86Å; Y670-V672 PolarHBondContact O-N 2.65Å; Y670-I702 HydrophobicContact CD1-CD1 4.48Å; Y670-I702 HydrophobicContact CD1-CG2 4.45Å; Y670-I702 HydrophobicContact CE1-CG2 4.31Å; Y670-P709 HydrophobicContact CD1-CB 4.31Å; Y670-P709 HydrophobicContact CD1-CG 4.47Å; Y670-P709 HydrophobicContact CE1-CB 3.97Å; Y670-P709 HydrophobicContact CE1-CG 4.34Å | ||
| 671 | T | 30.9 | Very low | 31.8 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | trans | -84.2 | 92.2 | 171.4 | -33.3 | 0 | 0 | 0 | 0 | 108.1 | E669 C673 | E669-T671 PolarHBondContact O-N 3.23Å; T671-C673 PolarHBondContact O-N 3.28Å; T671-C673 VanDerWaalsContact O-N 3.09Å | ||
| 672 | V | 32 | Very low | 32.5 | Very low | 71 Ų | 71 | 114 Ų | 114 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | trans | -65.8 | 111.5 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | Y670 R674 | Y670-V672 PolarHBondContact O-N 2.65Å; V672-R674 PolarHBondContact O-N 3.01Å | ||
| 673 | C | 28.4 | Very low | 33.1 | Very low | 111 Ų | 111 | 113 Ų | 113 | 75% | 0.75 | 60% | 0.599 | S | S | * | * | trans | -55.9 | 108.6 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 109.7 | T671 A675 | T671-C673 PolarHBondContact O-N 3.28Å; T671-C673 VanDerWaalsContact O-N 3.09Å; C673-A675 PolarHBondContact O-N 2.87Å | ||
| 674 | R | 25.9 | Very low | 33.8 | Very low | 261 Ų | 261 | 107 Ų | 107 | 99% | 0.985 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 20.9 | 71.1 | 159.1 | -74.5 | -177.5 | 169.6 | 175.9 | -2.7 | 115.2 | V672 | V672-R674 PolarHBondContact O-N 3.01Š|
| 675 | A | 26.4 | Very low | 34.2 | Very low | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | trans | -140.7 | 135.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | C673 | C673-A675 PolarHBondContact O-N 2.87Š| ||
| 676 | E | 31.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 109.5 Ų | 109.5 | 81% | 0.808 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -54.8 | 137.7 | -169.3 | -66.1 | 165.9 | 154.6 | 0 | 0 | 112.5 | L678 | E676-L678 PolarHBondContact O-N 3.41Š|
| 677 | V | 32.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 106.4 Ų | 106.4 | 76% | 0.758 | 57% | 0.569 | S | S | * | * | trans | 5.1 | 89.3 | 170.9 | -168.7 | 0 | 0 | 0 | 0 | 115.7 | P694 | V677-P694 WeakPolarHBondContact O-CG 3.39Š| ||
| 678 | L | 34.1 | Very low | 35.7 | Very low | 46 Ų | 46 | 105.5 Ų | 105.5 | 24% | 0.241 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -93.5 | 138.5 | 173.2 | -66.8 | 173 | 0 | 0 | 0 | 111.4 | E676 L691 A699 | E676-L678 PolarHBondContact O-N 3.41Å; L678-L691 HydrophobicContact CB-CB 4.19Å; L678-L691 HydrophobicContact CB-CD2 4.36Å; L678-L691 HydrophobicContact CD1-CB 4.01Å; L678-L691 HydrophobicContact CD1-CD1 3.82Å; L678-L691 HydrophobicContact CD1-CG 4.45Å; L678-A699 HydrophobicContact CD1-CB 4.49Å; L678-A699 HydrophobicContact CD2-CB 3.33Å |
| 679 | M | 34.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 96.5 Ų | 96.5 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.4 | 176.5 | -155.8 | -169.2 | -51.1 | 0 | 0 | 109.6 | Y692 | M679-Y692 PolarHBondContact N-O 3.41Å; M679-Y692 PolarHBondContact O-N 3.04Å |
| 680 | F | 36.3 | Very low | 36.6 | Very low | 86 Ų | 86 | 91.6 Ų | 91.6 | 38% | 0.377 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 123.1 | 172.8 | 176.4 | -90.4 | 0 | 0 | 0 | 109.6 | A683 V689 | F680-A683 HydrophobicContact CZ-CB 4.11Å; F680-V689 HydrophobicContact CD2-CG1 3.51Å; F680-V689 HydrophobicContact CE2-CB 4.37Å; F680-V689 HydrophobicContact CE2-CG1 3.38Å; F680-V689 HydrophobicContact CE2-CG2 4.23Å |
| 681 | V | 41.9 | Very low | 37.3 | Very low | 94 Ų | 94 | 88.6 Ų | 88.6 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -19.7 | -178.1 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | Y692 | V681-Y692 HydrophobicContact CB-CD2 4.23Å; V681-Y692 HydrophobicContact CG2-CD2 3.73Å; V681-Y692 HydrophobicContact CG2-CE2 4.41Å; V681-Y692 HydrophobicContact CG2-CG 4.37Å |
| 682 | G | 41 | Very low | 37.8 | Very low | 27 Ų | 27 | 86.5 Ų | 86.5 | 28% | 0.278 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | 165.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L690 | G682-L690 PolarHBondContact O-N 3.3Å |
| 683 | A | 41.2 | Very low | 38.1 | Very low | 66 Ų | 66 | 87 Ų | 87 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F680 L688 V689 | F680-A683 HydrophobicContact CZ-CB 4.11Å; A683-L688 CarbonylContact C-O 3.52Å; A683-L688 WeakPolarHBondContact CA-O 3.34Å; A683-V689 HydrophobicContact CB-CG2 4.15Å |
| 684 | T | 43.6 | Very low | 38.7 | Very low | 54 Ų | 54 | 85.3 Ų | 85.3 | 33% | 0.331 | 45% | 0.454 | S | S | . | . | trans | -90.5 | 160.3 | 165.2 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | Q686 G687 L688 | T684-Q686 PolarHBondContact O-N 3.21Å; T684-Q686 PolarHBondContact OG1-N 2.97Å; T684-G687 PolarHBondContact O-N 3.38Å; T684-L688 HydrophobicContact CG2-CB 4.24Å; T684-L688 HydrophobicContact CG2-CD2 4.49Å; T684-L688 PolarHBondContact N-O 2.89Å; T684-L688 WeakPolarHBondContact OG1-CB 3.08Å; T684-L688 PolarHBondContact OG1-N 2.91Å | ||
| 685 | D | 41.4 | Very low | 39.3 | Very low | 149 Ų | 149 | 77.2 Ų | 77.2 | 80% | 0.797 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.3 | 170.4 | 44.7 | -35.5 | 0 | 0 | 0 | 113.7 | G687 | D685-G687 VanDerWaalsContact C-N 3.31Š|
| 686 | Q | 44.5 | Very low | 39.9 | Very low | 161 Ų | 161 | 77.5 Ų | 77.5 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 11.2 | 173.2 | -62.9 | -79.7 | -53.5 | 0 | 0 | 113.1 | T684 L688 | T684-Q686 PolarHBondContact O-N 3.21Å; T684-Q686 PolarHBondContact OG1-N 2.97Å; Q686-L688 VanDerWaalsContact C-N 3.35Å; Q686-L688 PolarHBondContact O-N 3.21Å |
| 687 | G | 44.2 | Very low | 40.1 | Very low | 25 Ų | 25 | 70.9 Ų | 70.9 | 26% | 0.258 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 76.4 | 17.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T684 D685 G704 | T684-G687 PolarHBondContact O-N 3.38Å; D685-G687 VanDerWaalsContact C-N 3.31Å; G687-G704 PolarHBondContact O-N 3.33Å |
| 688 | L | 39.9 | Very low | 40.5 | Very low | 50 Ų | 50 | 65.8 Ų | 65.8 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.7 | 172.9 | -162.9 | 92.5 | 0 | 0 | 0 | 109.8 | A683 T684 Q686 L690 I701 I702 I703 | A683-L688 CarbonylContact C-O 3.52Å; A683-L688 WeakPolarHBondContact CA-O 3.34Å; T684-L688 HydrophobicContact CG2-CB 4.24Å; T684-L688 HydrophobicContact CG2-CD2 4.49Å; T684-L688 PolarHBondContact N-O 2.89Å; T684-L688 WeakPolarHBondContact OG1-CB 3.08Å; T684-L688 PolarHBondContact OG1-N 2.91Å; Q686-L688 VanDerWaalsContact C-N 3.35Å; Q686-L688 PolarHBondContact O-N 3.21Å; L688-L690 HydrophobicContact CD2-CD2 4Å; L688-L690 HydrophobicContact CD2-CG 4.33Å; L688-I701 HydrophobicContact CD1-CG2 3.6Å; L688-I701 HydrophobicContact CG-CG2 4.04Å; L688-I702 CarbonylContact C-O 3.5Å; L688-I702 WeakPolarHBondContact CA-O 3.49Å; L688-I703 HydrophobicContact CD1-CG1 4.13Å |
| 689 | V | 44.7 | Very low | 40.8 | Very low | 16 Ų | 16 | 64.8 Ų | 64.8 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.5 | 171.3 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | F680 A683 L691 I701 I702 | F680-V689 HydrophobicContact CD2-CG1 3.51Å; F680-V689 HydrophobicContact CE2-CB 4.37Å; F680-V689 HydrophobicContact CE2-CG1 3.38Å; F680-V689 HydrophobicContact CE2-CG2 4.23Å; A683-V689 HydrophobicContact CB-CG2 4.15Å; V689-L691 HydrophobicContact CG1-CD2 4.19Å; V689-L691 HydrophobicContact CG1-CG 4.37Å; V689-I701 WeakPolarHBondContact O-CA 3.4Å; V689-I702 HydrophobicContact CB-CB 4.08Å; V689-I702 HydrophobicContact CB-CD1 4.5Å; V689-I702 PolarHBondContact N-O 3.36Å; V689-I702 PolarHBondContact O-N 3.38Å |
| 690 | L | 43.3 | Very low | 41.1 | Very low | 52 Ų | 52 | 59.8 Ų | 59.8 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.5 | 176.2 | -60.9 | 176.1 | 0 | 0 | 0 | 110.3 | G682 L688 Y692 L698 I701 | G682-L690 PolarHBondContact O-N 3.3Å; L688-L690 HydrophobicContact CD2-CD2 4Å; L688-L690 HydrophobicContact CD2-CG 4.33Å; L690-Y692 HydrophobicContact CB-CE2 4.17Å; L690-L698 HydrophobicContact CB-CD1 3.94Å; L690-L698 HydrophobicContact CD2-CD1 3.92Å; L690-L698 HydrophobicContact CD2-CD2 4.45Å; L690-L698 HydrophobicContact CG-CD1 4.42Å; L690-I701 HydrophobicContact CD2-CD1 4.4Å; L690-I701 HydrophobicContact CD2-CG1 3.87Å |
| 691 | L | 44 | Very low | 41.5 | Very low | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.8 | 176.1 | -63.4 | 175.8 | 0 | 0 | 0 | 109.1 | L678 V689 A699 A700 I702 | L678-L691 HydrophobicContact CB-CB 4.19Å; L678-L691 HydrophobicContact CB-CD2 4.36Å; L678-L691 HydrophobicContact CD1-CB 4.01Å; L678-L691 HydrophobicContact CD1-CD1 3.82Å; L678-L691 HydrophobicContact CD1-CG 4.45Å; V689-L691 HydrophobicContact CG1-CD2 4.19Å; V689-L691 HydrophobicContact CG1-CG 4.37Å; L691-A699 PolarHBondContact O-N 2.75Å; L691-A700 HydrophobicContact CB-CB 4.18Å; L691-A700 HydrophobicContact CD1-CB 4.15Å; L691-A700 PolarHBondContact N-O 2.91Å; L691-A700 PolarHBondContact O-N 3.01Å; L691-A700 VanDerWaalsContact O-N 3.14Å; L691-I702 HydrophobicContact CD1-CD1 3.93Å; L691-I702 HydrophobicContact CD1-CG1 4.24Å |
| 692 | Y | 40.9 | Very low | 41.6 | Very low | 76 Ų | 76 | 52.2 Ų | 52.2 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141 | 177.3 | -80.5 | -98.6 | 0 | 0 | 0 | 111.1 | M679 V681 L690 G697 L698 | M679-Y692 PolarHBondContact N-O 3.41Å; M679-Y692 PolarHBondContact O-N 3.04Å; V681-Y692 HydrophobicContact CB-CD2 4.23Å; V681-Y692 HydrophobicContact CG2-CD2 3.73Å; V681-Y692 HydrophobicContact CG2-CE2 4.41Å; V681-Y692 HydrophobicContact CG2-CG 4.37Å; L690-Y692 HydrophobicContact CB-CE2 4.17Å; Y692-G697 CarbonylContact C-O 3.55Å; Y692-G697 WeakPolarHBondContact CA-O 3.24Å; Y692-G697 WeakPolarHBondContact CD1-O 3.46Å; Y692-L698 HydrophobicContact CD1-CB 4.33Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD2-CD1 3.85Å; Y692-L698 HydrophobicContact CE1-CB 3.97Å; Y692-L698 HydrophobicContact CE1-CD1 4.14Å; Y692-L698 HydrophobicContact CE2-CD1 3.45Å; Y692-L698 VanDerWaalsContact CE2-CD1 3.45Å; Y692-L698 HydrophobicContact CG-CD1 4.35Å |
| 693 | H | 39.7 | Very low | 41.7 | Very low | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.375 | 32% | 0.322 | S | S | . | . | trans | -67.3 | 140.1 | 164.1 | -164.9 | -95.5 | 0 | 0 | 0 | 108.8 | T695 G696 G697 A699 | H693-T695 PolarHBondContact CE1-OG1 2.63Å; H693-T695 PolarHBondContact ND1-N 3.48Å; H693-T695 PolarHBondContact ND1-OG1 2.97Å; H693-T695 PolarHBondContact O-N 3.11Å; H693-G696 PolarHBondContact O-N 2.79Å; H693-G697 PolarHBondContact N-O 3.38Å; H693-A699 HydrophobicContact CB-CB 4.19Å | ||
| 694 | P | 40 | Very low | 41.7 | Very low | 76 Ų | 76 | 51.9 Ų | 51.9 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -27.9 | 180 | -26.2 | 33.6 | 0 | 0 | 0 | 114.2 | V677 G696 | V677-P694 WeakPolarHBondContact O-CG 3.39Å; P694-G696 VanDerWaalsContact C-N 3.26Å; P694-G696 PolarHBondContact O-N 3.02Å |
| 695 | T | 39.9 | Very low | 41.5 | Very low | 90 Ų | 90 | 51.8 Ų | 51.8 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.9 | 179 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | D631 H693 | D631-T695 WeakPolarHBondContact OD2-CG2 3.47Å; H693-T695 PolarHBondContact CE1-OG1 2.63Å; H693-T695 PolarHBondContact ND1-N 3.48Å; H693-T695 PolarHBondContact ND1-OG1 2.97Å; H693-T695 PolarHBondContact O-N 3.11Å |
| 696 | G | 37.4 | Very low | 41.3 | Very low | 59 Ų | 59 | 51.8 Ų | 51.8 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 102 | 16.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | H693 P694 | H693-G696 PolarHBondContact O-N 2.79Å; P694-G696 VanDerWaalsContact C-N 3.26Å; P694-G696 PolarHBondContact O-N 3.02Å |
| 697 | G | 37.4 | Very low | 41.1 | Very low | 33 Ų | 33 | 49 Ų | 49 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -103.6 | 146.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y692 H693 A699 | Y692-G697 CarbonylContact C-O 3.55Å; Y692-G697 WeakPolarHBondContact CA-O 3.24Å; Y692-G697 WeakPolarHBondContact CD1-O 3.46Å; H693-G697 PolarHBondContact N-O 3.38Å; G697-A699 PolarHBondContact O-N 2.99Å |
| 698 | L | 40.5 | Very low | 40.7 | Very low | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 115 | 167.1 | -174.8 | 76.1 | 0 | 0 | 0 | 108.1 | L690 Y692 I701 I714 T718 V722 | L690-L698 HydrophobicContact CB-CD1 3.94Å; L690-L698 HydrophobicContact CD2-CD1 3.92Å; L690-L698 HydrophobicContact CD2-CD2 4.45Å; L690-L698 HydrophobicContact CG-CD1 4.42Å; Y692-L698 HydrophobicContact CD1-CB 4.33Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD2-CD1 3.85Å; Y692-L698 HydrophobicContact CE1-CB 3.97Å; Y692-L698 HydrophobicContact CE1-CD1 4.14Å; Y692-L698 HydrophobicContact CE2-CD1 3.45Å; Y692-L698 VanDerWaalsContact CE2-CD1 3.45Å; Y692-L698 HydrophobicContact CG-CD1 4.35Å; L698-I701 HydrophobicContact CD2-CD1 3.9Å; L698-I701 HydrophobicContact CD2-CG1 3.82Å; L698-I714 HydrophobicContact CD2-CD1 3.84Å; L698-I714 HydrophobicContact CG-CD1 4.36Å; L698-T718 HydrophobicContact CB-CG2 4.23Å; L698-V722 HydrophobicContact CD2-CG2 4.43Å |
| 699 | A | 40.9 | Very low | 40.5 | Very low | 24 Ų | 24 | 49.8 Ų | 49.8 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -41.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L678 L691 H693 G697 I714 | L678-A699 HydrophobicContact CD1-CB 4.49Å; L678-A699 HydrophobicContact CD2-CB 3.33Å; L691-A699 PolarHBondContact O-N 2.75Å; H693-A699 HydrophobicContact CB-CB 4.19Å; G697-A699 PolarHBondContact O-N 2.99Å; A699-I714 PolarHBondContact O-N 3.48Å; A699-I714 VanDerWaalsContact O-N 3.15Å |
| 700 | A | 40.7 | Very low | 40.2 | Very low | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 152.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L691 I712 | L691-A700 HydrophobicContact CB-CB 4.18Å; L691-A700 HydrophobicContact CD1-CB 4.15Å; L691-A700 PolarHBondContact N-O 2.91Å; L691-A700 PolarHBondContact O-N 3.01Å; L691-A700 VanDerWaalsContact O-N 3.14Å; A700-I712 WeakPolarHBondContact CA-O 3.39Å |
| 701 | I | 45 | Very low | 39.9 | Very low | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.4 | 167.4 | -60.8 | 173.6 | 0 | 0 | 0 | 106.9 | L688 V689 L690 L698 I703 I712 I714 | L688-I701 HydrophobicContact CD1-CG2 3.6Å; L688-I701 HydrophobicContact CG-CG2 4.04Å; V689-I701 WeakPolarHBondContact O-CA 3.4Å; L690-I701 HydrophobicContact CD2-CD1 4.4Å; L690-I701 HydrophobicContact CD2-CG1 3.87Å; L698-I701 HydrophobicContact CD2-CD1 3.9Å; L698-I701 HydrophobicContact CD2-CG1 3.82Å; I701-I703 HydrophobicContact CG2-CG1 3.93Å; I701-I712 PolarHBondContact N-O 3.31Å; I701-I712 PolarHBondContact O-N 3.19Å; I701-I714 HydrophobicContact CD1-CD1 3.71Å; I701-I714 HydrophobicContact CG1-CD1 3.71Å |
| 702 | I | 43.8 | Very low | 39.6 | Very low | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.9 | 167.5 | -51.7 | 174 | 0 | 0 | 0 | 107.5 | Y670 L688 V689 L691 P709 V710 C711 | Y670-I702 HydrophobicContact CD1-CD1 4.48Å; Y670-I702 HydrophobicContact CD1-CG2 4.45Å; Y670-I702 HydrophobicContact CE1-CG2 4.31Å; L688-I702 CarbonylContact C-O 3.5Å; L688-I702 WeakPolarHBondContact CA-O 3.49Å; V689-I702 HydrophobicContact CB-CB 4.08Å; V689-I702 HydrophobicContact CB-CD1 4.5Å; V689-I702 PolarHBondContact N-O 3.36Å; V689-I702 PolarHBondContact O-N 3.38Å; L691-I702 HydrophobicContact CD1-CD1 3.93Å; L691-I702 HydrophobicContact CD1-CG1 4.24Å; I702-P709 HydrophobicContact CG2-CB 3.76Å; I702-V710 WeakPolarHBondContact CA-O 3.46Å; I702-C711 HydrophobicContact CG1-CB 4.48Å |
| 703 | I | 43.1 | Very low | 39.3 | Very low | 54 Ų | 54 | 59.7 Ų | 59.7 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.1 | 176 | -51.4 | 178.3 | 0 | 0 | 0 | 108 | L688 I701 T705 P709 V710 I712 | L688-I703 HydrophobicContact CD1-CG1 4.13Å; I701-I703 HydrophobicContact CG2-CG1 3.93Å; I703-T705 HydrophobicContact CG2-CG2 4.23Å; I703-T705 PolarHBondContact O-N 2.71Å; I703-P709 WeakPolarHBondContact O-CA 3.48Å; I703-V710 PolarHBondContact N-O 3.24Å; I703-V710 PolarHBondContact O-N 2.98Å; I703-I712 HydrophobicContact CD1-CD1 3.87Å |
| 704 | G | 40.6 | Very low | 39.2 | Very low | 32 Ų | 32 | 57.1 Ų | 57.1 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 108.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G687 | G687-G704 PolarHBondContact O-N 3.33Å |
| 705 | T | 39.1 | Very low | 39 | Very low | 52 Ų | 52 | 59.2 Ų | 59.2 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 158.7 | 169.2 | 79.8 | 0 | 0 | 0 | 0 | 109.5 | I703 A707 G708 V710 | I703-T705 HydrophobicContact CG2-CG2 4.23Å; I703-T705 PolarHBondContact O-N 2.71Å; T705-A707 PolarHBondContact O-N 3.43Å; T705-A707 PolarHBondContact OG1-N 3.25Å; T705-G708 PolarHBondContact N-O 2.84Å; T705-G708 PolarHBondContact O-N 3.29Å; T705-G708 PolarHBondContact OG1-N 3.3Å; T705-G708 PolarHBondContact OG1-O 3.36Å; T705-V710 HydrophobicContact CG2-CG2 3.84Å |
| 706 | P | 38 | Very low | 38.8 | Very low | 150 Ų | 150 | 61.2 Ų | 61.2 | 97% | 0.974 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.2 | 173.2 | -23.1 | 32.8 | 0 | 0 | 0 | 113.7 | ||
| 707 | A | 40 | Very low | 38.6 | Very low | 102 Ų | 102 | 60.2 Ų | 60.2 | 84% | 0.843 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T705 | T705-A707 PolarHBondContact O-N 3.43Å; T705-A707 PolarHBondContact OG1-N 3.25Å |
| 708 | G | 35.2 | Very low | 38.7 | Very low | 28 Ų | 28 | 61.8 Ų | 61.8 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.5 | 168.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T705 V710 | T705-G708 PolarHBondContact N-O 2.84Å; T705-G708 PolarHBondContact O-N 3.29Å; T705-G708 PolarHBondContact OG1-N 3.3Å; T705-G708 PolarHBondContact OG1-O 3.36Å; G708-V710 PolarHBondContact O-N 3.04Å |
| 709 | P | 36.2 | Very low | 38.6 | Very low | 64 Ų | 64 | 62.9 Ų | 62.9 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.7 | 179.9 | 25.8 | -31.4 | 0 | 0 | 0 | 111.3 | Y670 I702 I703 | Y670-P709 HydrophobicContact CD1-CB 4.31Å; Y670-P709 HydrophobicContact CD1-CG 4.47Å; Y670-P709 HydrophobicContact CE1-CB 3.97Å; Y670-P709 HydrophobicContact CE1-CG 4.34Å; I702-P709 HydrophobicContact CG2-CB 3.76Å; I703-P709 WeakPolarHBondContact O-CA 3.48Å |
| 710 | V | 38.6 | Very low | 38.5 | Very low | 68 Ų | 68 | 62.7 Ų | 62.7 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | I702 I703 T705 G708 I712 | I702-V710 WeakPolarHBondContact CA-O 3.46Å; I703-V710 PolarHBondContact N-O 3.24Å; I703-V710 PolarHBondContact O-N 2.98Å; T705-V710 HydrophobicContact CG2-CG2 3.84Å; G708-V710 PolarHBondContact O-N 3.04Å; V710-I712 HydrophobicContact CG1-CG1 4.08Å |
| 711 | C | 36.1 | Very low | 38.5 | Very low | 73 Ų | 73 | 65 Ų | 65 | 49% | 0.493 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.9 | 170.8 | -169 | 0 | 0 | 0 | 0 | 109 | I702 | I702-C711 HydrophobicContact CG1-CB 4.48Å |
| 712 | I | 38 | Very low | 38.4 | Very low | 73 Ų | 73 | 68.1 Ų | 68.1 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 109.8 | 174.8 | -52.7 | 176.9 | 0 | 0 | 0 | 107.8 | A700 I701 I703 V710 | A700-I712 WeakPolarHBondContact CA-O 3.39Å; I701-I712 PolarHBondContact N-O 3.31Å; I701-I712 PolarHBondContact O-N 3.19Å; I703-I712 HydrophobicContact CD1-CD1 3.87Å; V710-I712 HydrophobicContact CG1-CG1 4.08Å |
| 713 | E | 34.1 | Very low | 38.3 | Very low | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 129.3 | 170.4 | -81.2 | -177.7 | 152.6 | 0 | 0 | 109.7 | ||
| 714 | I | 38.6 | Very low | 38.2 | Very low | 28 Ų | 28 | 65.3 Ų | 65.3 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | trans | -106.9 | 99.9 | -175.5 | -57.9 | 177.9 | 0 | 0 | 0 | 109.9 | L698 A699 I701 | L698-I714 HydrophobicContact CD2-CD1 3.84Å; L698-I714 HydrophobicContact CG-CD1 4.36Å; A699-I714 PolarHBondContact O-N 3.48Å; A699-I714 VanDerWaalsContact O-N 3.15Å; I701-I714 HydrophobicContact CD1-CD1 3.71Å; I701-I714 HydrophobicContact CG1-CD1 3.71Å | ||
| 715 | V | 36.5 | Very low | 38.5 | Very low | 120 Ų | 120 | 66.9 Ų | 66.9 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -88.8 | 108.2 | 162.8 | -171.7 | 0 | 0 | 0 | 0 | 106.7 | A717 | V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.27Å |
| 716 | T | 36 | Very low | 38.7 | Very low | 132 Ų | 132 | 66.8 Ų | 66.8 | 81% | 0.81 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 57.1 | -5.8 | 163.3 | 57 | 0 | 0 | 0 | 0 | 121.2 | T718 | T716-T718 PolarHBondContact O-N 3.32Å; T716-T718 VanDerWaalsContact O-N 3.15Å |
| 717 | A | 32.8 | Very low | 39 | Very low | 38 Ų | 38 | 60.2 Ų | 60.2 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | trans | -83.9 | 24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V715 S719 V720 I721 | V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.27Å; A717-S719 VanDerWaalsContact C-N 3.34Å; A717-S719 PolarHBondContact O-N 3Å; A717-S719 VanDerWaalsContact O-N 3.16Å; A717-V720 PolarHBondContact O-N 3.04Å; A717-I721 HydrophobicContact CB-CD1 4.03Å; A717-I721 HydrophobicContact CB-CG1 4.39Å; A717-I721 PolarHBondContact O-N 3.02Å | ||
| 718 | T | 38.2 | Very low | 39.2 | Very low | 65 Ų | 65 | 61.4 Ų | 61.4 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27.2 | -160.4 | -26.1 | 0 | 0 | 0 | 0 | 115.6 | L698 T716 V722 | L698-T718 HydrophobicContact CB-CG2 4.23Å; T716-T718 PolarHBondContact O-N 3.32Å; T716-T718 VanDerWaalsContact O-N 3.15Å; T718-V722 WeakPolarHBondContact O-CG2 3.41Å |
| 719 | S | 39.6 | Very low | 39.7 | Very low | 42 Ų | 42 | 64.2 Ų | 64.2 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -27.3 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | A717 A723 | A717-S719 VanDerWaalsContact C-N 3.34Å; A717-S719 PolarHBondContact O-N 3Å; A717-S719 VanDerWaalsContact O-N 3.16Å; S719-A723 WeakPolarHBondContact O-CB 3.44Å; S719-A723 PolarHBondContact O-N 2.9Å; S719-A723 VanDerWaalsContact O-N 3.1Å |
| 720 | V | 37.9 | Very low | 40.1 | Very low | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.127 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.6 | -44.6 | -171.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | A717 A724 A760 V761 | A717-V720 PolarHBondContact O-N 3.04Å; V720-A724 WeakPolarHBondContact O-CB 3.35Å; V720-A724 PolarHBondContact O-N 3.32Å; V720-A760 HydrophobicContact CG1-CB 4.03Å; V720-V761 HydrophobicContact CG1-CG2 3.41Å; V720-V761 VanDerWaalsContact CG1-CG2 3.41Å |
| 721 | I | 41.8 | Very low | 40.3 | Very low | 53 Ų | 53 | 60.7 Ų | 60.7 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -75.2 | -43.2 | -176.9 | -60.7 | 173.9 | 0 | 0 | 0 | 111 | A717 A723 A724 L725 | A717-I721 HydrophobicContact CB-CD1 4.03Å; A717-I721 HydrophobicContact CB-CG1 4.39Å; A717-I721 PolarHBondContact O-N 3.02Å; I721-A723 VanDerWaalsContact C-N 3.31Å; I721-A723 PolarHBondContact O-N 3.29Å; I721-A724 PolarHBondContact O-N 3.27Å; I721-L725 HydrophobicContact CG2-CD1 3.83Å; I721-L725 HydrophobicContact CG2-CG 4.29Å; I721-L725 WeakPolarHBondContact O-CB 3.5Å; I721-L725 VanDerWaalsContact O-CG 3.29Å; I721-L725 WeakPolarHBondContact O-CG 3.46Å; I721-L725 PolarHBondContact O-N 3.38Å |
| 722 | V | 43.2 | Very low | 40.8 | Very low | 74 Ų | 74 | 65.1 Ų | 65.1 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L698 T718 A726 | L698-V722 HydrophobicContact CD2-CG2 4.43Å; T718-V722 WeakPolarHBondContact O-CG2 3.41Å; V722-A726 VanDerWaalsContact O-CB 3.26Å; V722-A726 WeakPolarHBondContact O-CB 2.88Å; V722-A726 PolarHBondContact O-N 3.05Å |
| 723 | A | 40.5 | Very low | 41.1 | Very low | 6 Ų | 6 | 65.5 Ų | 65.5 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S719 I721 L725 A726 I727 L751 | S719-A723 WeakPolarHBondContact O-CB 3.44Å; S719-A723 PolarHBondContact O-N 2.9Å; S719-A723 VanDerWaalsContact O-N 3.1Å; I721-A723 VanDerWaalsContact C-N 3.31Å; I721-A723 PolarHBondContact O-N 3.29Å; A723-L725 VanDerWaalsContact C-N 3.28Å; A723-L725 PolarHBondContact O-N 3.08Å; A723-A726 PolarHBondContact O-N 3.31Å; A723-I727 HydrophobicContact CB-CD1 4.33Å; A723-I727 VanDerWaalsContact O-CB 3.28Å; A723-I727 WeakPolarHBondContact O-CB 3.4Å; A723-I727 VanDerWaalsContact O-CD1 3.25Å; A723-I727 WeakPolarHBondContact O-CD1 3.26Å; A723-I727 WeakPolarHBondContact O-CG1 3.36Å; A723-I727 PolarHBondContact O-N 3.01Å; A723-L751 HydrophobicContact CB-CD1 3.81Å; A723-L751 HydrophobicContact CB-CD2 3.36Å; A723-L751 HydrophobicContact CB-CG 4.23Å |
| 724 | A | 41.5 | Very low | 41.3 | Very low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -40.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | V720 I721 R728 V761 V764 I765 | V720-A724 WeakPolarHBondContact O-CB 3.35Å; V720-A724 PolarHBondContact O-N 3.32Å; I721-A724 PolarHBondContact O-N 3.27Å; A724-R728 WeakPolarHBondContact O-CB 3.48Å; A724-R728 PolarHBondContact O-N 3.31Å; A724-V761 HydrophobicContact CB-CB 4.44Å; A724-V761 HydrophobicContact CB-CG1 3.86Å; A724-V764 HydrophobicContact CB-CB 3.89Å; A724-V764 HydrophobicContact CB-CG1 3.63Å; A724-I765 HydrophobicContact CB-CG1 4.22Å; A724-I765 WeakPolarHBondContact O-CG1 3.5Å |
| 725 | L | 46.8 | Very low | 41.7 | Very low | 65 Ų | 65 | 63.4 Ų | 63.4 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.5 | -42.3 | 178.9 | -69.4 | 172.4 | 0 | 0 | 0 | 112.6 | I721 A723 I727 R728 S729 V764 | I721-L725 HydrophobicContact CG2-CD1 3.83Å; I721-L725 HydrophobicContact CG2-CG 4.29Å; I721-L725 WeakPolarHBondContact O-CB 3.5Å; I721-L725 VanDerWaalsContact O-CG 3.29Å; I721-L725 WeakPolarHBondContact O-CG 3.46Å; I721-L725 PolarHBondContact O-N 3.38Å; A723-L725 VanDerWaalsContact C-N 3.28Å; A723-L725 PolarHBondContact O-N 3.08Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.42Å; L725-R728 PolarHBondContact O-N 3.11Å; L725-S729 PolarHBondContact O-N 3.07Å; L725-V764 HydrophobicContact CD2-CG1 4.47Å |
| 726 | A | 44.2 | Very low | 42.1 | Very low | 50 Ų | 50 | 65.9 Ų | 65.9 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V722 A723 S729 I730 | V722-A726 VanDerWaalsContact O-CB 3.26Å; V722-A726 WeakPolarHBondContact O-CB 2.88Å; V722-A726 PolarHBondContact O-N 3.05Å; A723-A726 PolarHBondContact O-N 3.31Å; A726-S729 PolarHBondContact O-N 2.87Å; A726-I730 WeakPolarHBondContact O-CD1 3.49Å; A726-I730 WeakPolarHBondContact O-CG1 3.29Å; A726-I730 PolarHBondContact O-N 3.09Å |
| 727 | I | 43.6 | Very low | 42.6 | Very low | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 177.4 | -65.1 | 157.2 | 0 | 0 | 0 | 111.3 | A723 L725 S729 I730 G731 L751 I765 L774 | A723-I727 HydrophobicContact CB-CD1 4.33Å; A723-I727 VanDerWaalsContact O-CB 3.28Å; A723-I727 WeakPolarHBondContact O-CB 3.4Å; A723-I727 VanDerWaalsContact O-CD1 3.25Å; A723-I727 WeakPolarHBondContact O-CD1 3.26Å; A723-I727 WeakPolarHBondContact O-CG1 3.36Å; A723-I727 PolarHBondContact O-N 3.01Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.42Å; I727-S729 VanDerWaalsContact C-N 3.34Å; I727-S729 PolarHBondContact O-N 2.98Å; I727-I730 CarbonylContact O-C 3.49Å; I727-I730 PolarHBondContact O-N 3.09Å; I727-G731 VanDerWaalsContact O-CA 3.29Å; I727-G731 WeakPolarHBondContact O-CA 3.47Å; I727-G731 PolarHBondContact O-N 3.46Å; I727-L751 HydrophobicContact CD1-CD1 3.56Å; I727-L751 HydrophobicContact CG1-CD1 4.21Å; I727-I765 HydrophobicContact CB-CD1 4.16Å; I727-I765 HydrophobicContact CG2-CD1 3.82Å; I727-L774 HydrophobicContact CD1-CD1 3.96Å; I727-L774 HydrophobicContact CD1-CD2 3.43Å; I727-L774 VanDerWaalsContact CD1-CD2 3.43Å; I727-L774 HydrophobicContact CD1-CG 4.3Å; I727-L774 HydrophobicContact CG1-CD2 4.34Å; I727-L774 HydrophobicContact CG2-CD1 4.08Å; I727-L774 HydrophobicContact CG2-CD2 4.35Å; I727-L774 HydrophobicContact CG2-CG 4.43Å |
| 728 | R | 43.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 67.6 Ų | 67.6 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 173.6 | -176.7 | 174.8 | 173.9 | 171.9 | -2.3 | 111.3 | A724 L725 I730 G731 E732 | A724-R728 WeakPolarHBondContact O-CB 3.48Å; A724-R728 PolarHBondContact O-N 3.31Å; L725-R728 PolarHBondContact O-N 3.11Å; R728-I730 VanDerWaalsContact C-N 3.31Å; R728-I730 PolarHBondContact O-N 3.2Å; R728-G731 PolarHBondContact O-N 2.96Å; R728-E732 PolarHBondContact O-N 3Å |
| 729 | S | 46.7 | Very low | 43.5 | Very low | 87 Ų | 87 | 67.2 Ų | 67.2 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 112.4 | L725 A726 I727 | L725-S729 PolarHBondContact O-N 3.07Å; A726-S729 PolarHBondContact O-N 2.87Å; I727-S729 VanDerWaalsContact C-N 3.34Å; I727-S729 PolarHBondContact O-N 2.98Å |
| 730 | I | 43.1 | Very low | 43.9 | Very low | 39 Ų | 39 | 72.4 Ų | 72.4 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.3 | -31.4 | 176.5 | -58.9 | 160.1 | 0 | 0 | 0 | 111.6 | A726 I727 R728 S733 L734 M747 | A726-I730 WeakPolarHBondContact O-CD1 3.49Å; A726-I730 WeakPolarHBondContact O-CG1 3.29Å; A726-I730 PolarHBondContact O-N 3.09Å; I727-I730 CarbonylContact O-C 3.49Å; I727-I730 PolarHBondContact O-N 3.09Å; R728-I730 VanDerWaalsContact C-N 3.31Å; R728-I730 PolarHBondContact O-N 3.2Å; I730-S733 CarbonylContact O-C 3.56Å; I730-S733 VanDerWaalsContact O-C 3.31Å; I730-S733 VanDerWaalsContact O-CA 3.26Å; I730-S733 WeakPolarHBondContact O-CA 3.21Å; I730-S733 VanDerWaalsContact O-CB 3.27Å; I730-S733 WeakPolarHBondContact O-CB 3.39Å; I730-S733 PolarHBondContact O-N 3.41Å; I730-L734 HydrophobicContact CG2-CD1 3.6Å; I730-L734 HydrophobicContact CG2-CG 3.96Å; I730-L734 PolarHBondContact O-N 3.09Å; I730-M747 HydrophobicContact CD1-CE 3.91Å; I730-M747 HydrophobicContact CD1-SD 4.48Å; I730-M747 HydrophobicContact CG1-CE 4.43Å |
| 731 | G | 43.7 | Very low | 44.4 | Very low | 20 Ų | 20 | 78.4 Ų | 78.4 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72 | -32.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I727 R728 S733 L734 | I727-G731 VanDerWaalsContact O-CA 3.29Å; I727-G731 WeakPolarHBondContact O-CA 3.47Å; I727-G731 PolarHBondContact O-N 3.46Å; R728-G731 PolarHBondContact O-N 2.96Å; G731-S733 PolarHBondContact O-N 2.69Å; G731-S733 VanDerWaalsContact O-N 3.11Å; G731-L734 PolarHBondContact O-N 3.27Å |
| 732 | E | 45.9 | Very low | 44.6 | Very low | 166 Ų | 166 | 80.7 Ų | 80.7 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.4 | 165.6 | -71.3 | -174.2 | -180 | 0 | 0 | 112.5 | R728 | R728-E732 PolarHBondContact O-N 3Š|
| 733 | S | 44.5 | Very low | 44.7 | Very low | 80 Ų | 80 | 84.6 Ų | 84.6 | 56% | 0.559 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 9.5 | -178.4 | -43.6 | 0 | 0 | 0 | 0 | 114.4 | I730 G731 K744 | I730-S733 CarbonylContact O-C 3.56Å; I730-S733 VanDerWaalsContact O-C 3.31Å; I730-S733 VanDerWaalsContact O-CA 3.26Å; I730-S733 WeakPolarHBondContact O-CA 3.21Å; I730-S733 VanDerWaalsContact O-CB 3.27Å; I730-S733 WeakPolarHBondContact O-CB 3.39Å; I730-S733 PolarHBondContact O-N 3.41Å; G731-S733 PolarHBondContact O-N 2.69Å; G731-S733 VanDerWaalsContact O-N 3.11Å; S733-K744 PolarHBondContact O-NZ 3.43Å; S733-K744 VanDerWaalsContact O-NZ 3.15Å |
| 734 | L | 39.8 | Very low | 45 | Very low | 49 Ų | 49 | 86.7 Ų | 86.7 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | trans | -109.3 | 123.2 | -177.3 | -89 | 165.2 | 0 | 0 | 0 | 111.3 | I730 G731 D738 K744 | I730-L734 HydrophobicContact CG2-CD1 3.6Å; I730-L734 HydrophobicContact CG2-CG 3.96Å; I730-L734 PolarHBondContact O-N 3.09Å; G731-L734 PolarHBondContact O-N 3.27Å; L734-D738 HydrophobicContact CD2-CB 3.95Å; L734-K744 HydrophobicContact CD2-CD 3.47Å; L734-K744 VanDerWaalsContact CD2-CD 3.47Å; L734-K744 HydrophobicContact CG-CD 4.37Å | ||
| 735 | T | 46.8 | Very low | 45.2 | Very low | 86 Ų | 86 | 93.7 Ų | 93.7 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | trans | -103 | 159.3 | 165.2 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | Q737 D738 | T735-Q737 PolarHBondContact O-N 2.92Å; T735-Q737 VanDerWaalsContact O-N 3.1Å; T735-D738 PolarHBondContact O-N 3.19Å | ||
| 736 | E | 43.2 | Very low | 45 | Very low | 171 Ų | 171 | 93.8 Ų | 93.8 | 80% | 0.799 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -51.3 | -34.2 | 178.8 | -113.8 | -178.8 | 169.4 | 0 | 0 | 113.3 | D738 T739 | E736-D738 VanDerWaalsContact C-N 3.31Å; E736-D738 PolarHBondContact O-N 3.34Å; E736-T739 WeakPolarHBondContact O-CG2 3.04Å; E736-T739 PolarHBondContact O-OG1 3.21Å |
| 737 | Q | 47.5 | Very low | 44.9 | Very low | 180 Ų | 180 | 96.3 Ų | 96.3 | 84% | 0.841 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -74.3 | -14.9 | -178.1 | -68.8 | -175.2 | -9.4 | 0 | 0 | 114.3 | T735 T739 | T735-Q737 PolarHBondContact O-N 2.92Å; T735-Q737 VanDerWaalsContact O-N 3.1Å; Q737-T739 VanDerWaalsContact C-N 3.32Å |
| 738 | D | 45.7 | Very low | 44.9 | Very low | 26 Ų | 26 | 96.4 Ų | 96.4 | 14% | 0.139 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -84.4 | -6.1 | -178.7 | -76.5 | -32.1 | 0 | 0 | 0 | 113.9 | L734 T735 E736 D740 R741 K744 | L734-D738 HydrophobicContact CD2-CB 3.95Å; T735-D738 PolarHBondContact O-N 3.19Å; E736-D738 VanDerWaalsContact C-N 3.31Å; E736-D738 PolarHBondContact O-N 3.34Å; D738-D740 PolarHBondContact O-N 3.35Å; D738-R741 PolarHBondContact O-N 3.22Å; D738-R741 IonicContact OD1-CZ 3.53Å; D738-R741 IonicContact OD1-NE 2.68Å; D738-K744 HydrophobicContact CB-CD 4.27Å; D738-K744 IonicContact OD2-NZ 2.69Å; D738-K744 PolarHBondContact OD2-NZ 2.86Å |
| 739 | T | 43.6 | Very low | 45 | Very low | 57 Ų | 57 | 93.9 Ų | 93.9 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.5 | -172 | 50 | 0 | 0 | 0 | 0 | 114.3 | E736 Q737 Y773 | E736-T739 WeakPolarHBondContact O-CG2 3.04Å; E736-T739 PolarHBondContact O-OG1 3.21Å; Q737-T739 VanDerWaalsContact C-N 3.32Å; T739-Y773 HydrophobicContact CG2-CD2 3.72Å; T739-Y773 HydrophobicContact CG2-CE2 3.55Å |
| 740 | D | 47.7 | Very low | 44.7 | Very low | 151 Ų | 151 | 93.3 Ų | 93.3 | 81% | 0.807 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -90.5 | -0.6 | 178.6 | -82.7 | -26.9 | 0 | 0 | 0 | 114.5 | D738 P742 | D738-D740 PolarHBondContact O-N 3.35Å; D740-P742 WeakPolarHBondContact O-CD 3.38Å |
| 741 | R | 48.5 | Very low | 44.6 | Very low | 148 Ų | 148 | 93.2 Ų | 93.2 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | trans | -79.1 | 121.7 | -177.5 | -69.8 | -170.9 | 179.6 | -168 | 4.6 | 112 | D738 E743 K744 R745 | D738-R741 PolarHBondContact O-N 3.22Å; D738-R741 IonicContact OD1-CZ 3.53Å; D738-R741 IonicContact OD1-NE 2.68Å; R741-E743 PolarHBondContact O-N 2.87Å; R741-K744 PolarHBondContact O-N 3.49Å; R741-K744 VanDerWaalsContact O-N 3.17Å; R741-R745 PolarHBondContact O-N 3.11Å | ||
| 742 | P | 46.9 | Very low | 44.5 | Very low | 101 Ų | 101 | 95.3 Ų | 95.3 | 66% | 0.656 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -29.8 | -177.9 | 21.4 | -31.4 | 0 | 0 | 0 | 113.4 | D740 R745 S746 | D740-P742 WeakPolarHBondContact O-CD 3.38Å; P742-R745 PolarHBondContact O-N 3.37Å; P742-S746 PolarHBondContact O-N 3.25Å; P742-S746 VanDerWaalsContact O-N 3.14Å |
| 743 | E | 45.7 | Very low | 44.2 | Very low | 156 Ų | 156 | 91 Ų | 91 | 73% | 0.729 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 177.5 | -59.3 | -178.5 | -159.7 | 0 | 0 | 111.9 | R741 S746 | R741-E743 PolarHBondContact O-N 2.87Å; E743-S746 PolarHBondContact O-OG 3.22Å |
| 744 | K | 45.7 | Very low | 43.9 | Very low | 49 Ų | 49 | 93.3 Ų | 93.3 | 21% | 0.213 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -74.6 | -32.6 | 178.8 | -64.6 | -161.3 | -178.9 | 179.3 | 0 | 111.7 | S733 L734 D738 R741 S746 M747 | S733-K744 PolarHBondContact O-NZ 3.43Å; S733-K744 VanDerWaalsContact O-NZ 3.15Å; L734-K744 HydrophobicContact CD2-CD 3.47Å; L734-K744 VanDerWaalsContact CD2-CD 3.47Å; L734-K744 HydrophobicContact CG-CD 4.37Å; D738-K744 HydrophobicContact CB-CD 4.27Å; D738-K744 IonicContact OD2-NZ 2.69Å; D738-K744 PolarHBondContact OD2-NZ 2.86Å; R741-K744 PolarHBondContact O-N 3.49Å; R741-K744 VanDerWaalsContact O-N 3.17Å; K744-S746 VanDerWaalsContact C-N 3.32Å; K744-S746 PolarHBondContact O-N 2.63Å; K744-M747 WeakPolarHBondContact O-CB 3.44Å; K744-M747 PolarHBondContact O-N 3.21Å |
| 745 | R | 46 | Very low | 44 | Very low | 147 Ų | 147 | 101 Ų | 101 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58 | -42.8 | 174.5 | -145.2 | 177.3 | -171.9 | 167.6 | 3.9 | 112 | R741 P742 M747 V748 D749 | R741-R745 PolarHBondContact O-N 3.11Å; P742-R745 PolarHBondContact O-N 3.37Å; R745-M747 PolarHBondContact O-N 3.49Å; R745-M747 VanDerWaalsContact O-N 3.11Å; R745-V748 PolarHBondContact O-N 3.04Å; R745-D749 PolarHBondContact O-N 3.01Å |
| 746 | S | 43.7 | Very low | 43.9 | Very low | 67 Ų | 67 | 99 Ų | 99 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -25.6 | 178.7 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | P742 E743 K744 P750 | P742-S746 PolarHBondContact O-N 3.25Å; P742-S746 VanDerWaalsContact O-N 3.14Å; E743-S746 PolarHBondContact O-OG 3.22Å; K744-S746 VanDerWaalsContact C-N 3.32Å; K744-S746 PolarHBondContact O-N 2.63Å; S746-P750 WeakPolarHBondContact O-CD 3.48Å |
| 747 | M | 41.6 | Very low | 44 | Very low | 103 Ų | 103 | 95.3 Ų | 95.3 | 51% | 0.507 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.9 | -23.7 | 178.6 | -58.6 | -177.4 | 77.6 | 0 | 0 | 112.1 | I730 K744 R745 | I730-M747 HydrophobicContact CD1-CE 3.91Å; I730-M747 HydrophobicContact CD1-SD 4.48Å; I730-M747 HydrophobicContact CG1-CE 4.43Å; K744-M747 WeakPolarHBondContact O-CB 3.44Å; K744-M747 PolarHBondContact O-N 3.21Å; R745-M747 PolarHBondContact O-N 3.49Å; R745-M747 VanDerWaalsContact O-N 3.11Å |
| 748 | V | 42.8 | Very low | 44 | Very low | 14 Ų | 14 | 87.4 Ų | 87.4 | 9% | 0.085 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -103.2 | -28.4 | -174.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | R745 P750 L751 I752 L777 | R745-V748 PolarHBondContact O-N 3.04Å; V748-P750 VanDerWaalsContact C-N 3.27Å; V748-P750 VanDerWaalsContact O-N 3.11Å; V748-L751 HydrophobicContact CG1-CD1 4.3Å; V748-L751 WeakPolarHBondContact O-CA 3.37Å; V748-L751 WeakPolarHBondContact O-CB 3.32Å; V748-L751 PolarHBondContact O-N 3.43Å; V748-I752 PolarHBondContact O-N 3Å; V748-L777 HydrophobicContact CB-CD1 4.41Å; V748-L777 HydrophobicContact CG1-CD1 3.5Å; V748-L777 VanDerWaalsContact CG1-CD1 3.5Å |
| 749 | D | 45.5 | Very low | 44.1 | Very low | 75 Ų | 75 | 89.2 Ų | 89.2 | 40% | 0.401 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -32.5 | 177 | -68.6 | -19 | 0 | 0 | 0 | 115.3 | R745 L751 I752 | R745-D749 PolarHBondContact O-N 3.01Å; D749-L751 PolarHBondContact O-N 3.36Å; D749-I752 VanDerWaalsContact O-CB 3.31Å; D749-I752 WeakPolarHBondContact O-CB 3.17Å; D749-I752 PolarHBondContact O-N 3.16Å; D749-I752 WeakPolarHBondContact OD1-CD1 3.16Å |
| 750 | P | 41.5 | Very low | 44.2 | Very low | 74 Ų | 74 | 88.3 Ų | 88.3 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.6 | 174.5 | -20.6 | 33.9 | 0 | 0 | 0 | 114.3 | S746 V748 | S746-P750 WeakPolarHBondContact O-CD 3.48Å; V748-P750 VanDerWaalsContact C-N 3.27Å; V748-P750 VanDerWaalsContact O-N 3.11Å |
| 751 | L | 40.3 | Very low | 44.2 | Very low | 38 Ų | 38 | 81.3 Ų | 81.3 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -29.7 | 174.5 | -57 | 176.1 | 0 | 0 | 0 | 110.9 | A723 I727 V748 D749 G753 K754 I756 | A723-L751 HydrophobicContact CB-CD1 3.81Å; A723-L751 HydrophobicContact CB-CD2 3.36Å; A723-L751 HydrophobicContact CB-CG 4.23Å; I727-L751 HydrophobicContact CD1-CD1 3.56Å; I727-L751 HydrophobicContact CG1-CD1 4.21Å; V748-L751 HydrophobicContact CG1-CD1 4.3Å; V748-L751 WeakPolarHBondContact O-CA 3.37Å; V748-L751 WeakPolarHBondContact O-CB 3.32Å; V748-L751 PolarHBondContact O-N 3.43Å; D749-L751 PolarHBondContact O-N 3.36Å; L751-G753 PolarHBondContact O-N 3.11Å; L751-G753 VanDerWaalsContact O-N 3.08Å; L751-K754 PolarHBondContact O-N 2.94Å; L751-I756 HydrophobicContact CB-CD1 3.77Å; L751-I756 HydrophobicContact CD2-CD1 4.37Å; L751-I756 WeakPolarHBondContact O-CD1 3.34Å |
| 752 | I | 42.3 | Very low | 44.3 | Very low | 64 Ų | 64 | 74.5 Ų | 74.5 | 33% | 0.328 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 101.5 | 173.6 | -59.6 | -179.6 | 0 | 0 | 0 | 108.1 | V748 D749 L777 A781 | V748-I752 PolarHBondContact O-N 3Å; D749-I752 VanDerWaalsContact O-CB 3.31Å; D749-I752 WeakPolarHBondContact O-CB 3.17Å; D749-I752 PolarHBondContact O-N 3.16Å; D749-I752 WeakPolarHBondContact OD1-CD1 3.16Å; I752-L777 HydrophobicContact CD1-CD2 4.34Å; I752-A781 HydrophobicContact CB-CB 3.94Å; I752-A781 HydrophobicContact CG1-CB 4.12Å; I752-A781 HydrophobicContact CG2-CB 3.28Å |
| 753 | G | 39.9 | Very low | 44.3 | Very low | 74 Ų | 74 | 74.6 Ų | 74.6 | 76% | 0.763 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.1 | -10 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L751 | L751-G753 PolarHBondContact O-N 3.11Å; L751-G753 VanDerWaalsContact O-N 3.08Å |
| 754 | K | 38.2 | Very low | 44.3 | Very low | 129 Ų | 129 | 69.8 Ų | 69.8 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -89 | 137.1 | 164.1 | -68.2 | -169.7 | 178.2 | -177.3 | 0 | 108.2 | L751 I756 | L751-K754 PolarHBondContact O-N 2.94Å; K754-I756 HydrophobicContact CB-CG1 4.17Å; K754-I756 WeakPolarHBondContact O-CG1 3.36Å; K754-I756 PolarHBondContact O-N 3.44Å |
| 755 | K | 40.4 | Very low | 44.5 | Very low | 212 Ų | 212 | 67.9 Ų | 67.9 | 92% | 0.922 | 37% | 0.37 | S | S | * | . | trans | -61 | 77.3 | 168.4 | -78 | -177 | 174.9 | -178.5 | 0 | 108.9 | ||||
| 756 | I | 44.7 | Very low | 44.7 | Very low | 42 Ų | 42 | 64.4 Ų | 64.4 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | trans | -78.9 | 123.2 | 177.7 | -69.1 | 171.4 | 0 | 0 | 0 | 106 | L751 K754 V758 V761 | L751-I756 HydrophobicContact CB-CD1 3.77Å; L751-I756 HydrophobicContact CD2-CD1 4.37Å; L751-I756 WeakPolarHBondContact O-CD1 3.34Å; K754-I756 HydrophobicContact CB-CG1 4.17Å; K754-I756 WeakPolarHBondContact O-CG1 3.36Å; K754-I756 PolarHBondContact O-N 3.44Å; I756-V758 VanDerWaalsContact C-N 3.28Å; I756-V758 PolarHBondContact O-N 3.05Å; I756-V761 HydrophobicContact CG2-CB 4.46Å; I756-V761 HydrophobicContact CG2-CG2 3.33Å | ||
| 757 | N | 45.4 | Very low | 45.3 | Very low | 95 Ų | 95 | 63.5 Ų | 63.5 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | trans | -68.5 | 94.2 | 166.5 | -176.6 | -23.2 | 0 | 0 | 0 | 107.5 | Q759 A760 V761 | N757-Q759 PolarHBondContact O-N 2.89Å; N757-Q759 VanDerWaalsContact OD1-CB 3.23Å; N757-Q759 WeakPolarHBondContact OD1-CB 3.29Å; N757-Q759 PolarHBondContact OD1-N 3.49Å; N757-A760 HydrophobicContact CB-CB 4.03Å; N757-A760 WeakPolarHBondContact O-CB 3.33Å; N757-A760 PolarHBondContact O-N 3.44Å; N757-A760 PolarHBondContact OD1-N 3.07Å; N757-V761 PolarHBondContact O-N 3.13Å | ||
| 758 | V | 48.5 | Very low | 45.9 | Very low | 13 Ų | 13 | 64.2 Ų | 64.2 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.4 | -31.2 | -175.4 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | I756 V761 A762 L775 A778 | I756-V758 VanDerWaalsContact C-N 3.28Å; I756-V758 PolarHBondContact O-N 3.05Å; V758-V761 PolarHBondContact O-N 2.54Å; V758-A762 VanDerWaalsContact O-CB 3.3Å; V758-A762 WeakPolarHBondContact O-CB 2.99Å; V758-A762 PolarHBondContact O-N 3.17Å; V758-L775 HydrophobicContact CB-CD2 3.9Å; V758-L775 HydrophobicContact CG1-CB 4.42Å; V758-L775 HydrophobicContact CG1-CD2 3.29Å; V758-L775 HydrophobicContact CG1-CG 3.55Å; V758-L775 HydrophobicContact CG2-CD2 4.48Å; V758-A778 HydrophobicContact CG2-CB 3.79Å |
| 759 | Q | 46.7 | Very low | 46.5 | Very low | 64 Ų | 64 | 67.1 Ų | 67.1 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 174.9 | -168.1 | 123.3 | -1.2 | 0 | 0 | 112.2 | N757 V761 T763 F914 | N757-Q759 PolarHBondContact O-N 2.89Å; N757-Q759 VanDerWaalsContact OD1-CB 3.23Å; N757-Q759 WeakPolarHBondContact OD1-CB 3.29Å; N757-Q759 PolarHBondContact OD1-N 3.49Å; Q759-V761 VanDerWaalsContact C-N 3.34Å; Q759-T763 WeakPolarHBondContact O-CB 3.17Å; Q759-T763 PolarHBondContact O-N 2.82Å; Q759-T763 PolarHBondContact O-OG1 3.32Å; Q759-F914 HydrophobicContact CG-CD2 4.46Å; Q759-F914 HydrophobicContact CG-CE1 4.47Å; Q759-F914 HydrophobicContact CG-CE2 4.23Å; Q759-F914 HydrophobicContact CG-CZ 4.24Å |
| 760 | A | 46.4 | Very low | 47 | Very low | 39 Ų | 39 | 64.1 Ų | 64.1 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V720 N757 V764 | V720-A760 HydrophobicContact CG1-CB 4.03Å; N757-A760 HydrophobicContact CB-CB 4.03Å; N757-A760 WeakPolarHBondContact O-CB 3.33Å; N757-A760 PolarHBondContact O-N 3.44Å; N757-A760 PolarHBondContact OD1-N 3.07Å; A760-V764 VanDerWaalsContact O-CG2 3.28Å; A760-V764 WeakPolarHBondContact O-CG2 3.49Å; A760-V764 PolarHBondContact O-N 2.9Å |
| 761 | V | 48.2 | Very low | 47.7 | Very low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66 | -47 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | V720 A724 I756 N757 V758 Q759 T763 V764 I765 L774 | V720-V761 HydrophobicContact CG1-CG2 3.41Å; V720-V761 VanDerWaalsContact CG1-CG2 3.41Å; A724-V761 HydrophobicContact CB-CB 4.44Å; A724-V761 HydrophobicContact CB-CG1 3.86Å; I756-V761 HydrophobicContact CG2-CB 4.46Å; I756-V761 HydrophobicContact CG2-CG2 3.33Å; N757-V761 PolarHBondContact O-N 3.13Å; V758-V761 PolarHBondContact O-N 2.54Å; Q759-V761 VanDerWaalsContact C-N 3.34Å; V761-T763 VanDerWaalsContact C-N 3.32Å; V761-T763 PolarHBondContact O-N 3.24Å; V761-V764 PolarHBondContact O-N 2.88Å; V761-V764 VanDerWaalsContact O-N 3.15Å; V761-I765 HydrophobicContact CG1-CD1 3.42Å; V761-I765 VanDerWaalsContact CG1-CD1 3.42Å; V761-I765 HydrophobicContact CG1-CG1 4.19Å; V761-I765 WeakPolarHBondContact O-CG1 3.4Å; V761-I765 PolarHBondContact O-N 2.96Å; V761-L774 HydrophobicContact CG1-CD1 3.44Å; V761-L774 VanDerWaalsContact CG1-CD1 3.44Å |
| 762 | A | 50.3 | Low | 48.5 | Very low | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V758 V764 I765 G766 T771 F914 | V758-A762 VanDerWaalsContact O-CB 3.3Å; V758-A762 WeakPolarHBondContact O-CB 2.99Å; V758-A762 PolarHBondContact O-N 3.17Å; A762-V764 VanDerWaalsContact C-N 3.27Å; A762-V764 PolarHBondContact O-N 3.01Å; A762-I765 PolarHBondContact O-N 3.28Å; A762-G766 PolarHBondContact O-N 3.32Å; A762-G766 VanDerWaalsContact O-N 3.14Å; A762-T771 HydrophobicContact CB-CG2 3.42Å; A762-T771 VanDerWaalsContact CB-CG2 3.42Å; A762-F914 HydrophobicContact CB-CE2 3.89Å; A762-F914 HydrophobicContact CB-CZ 3.62Å |
| 763 | T | 46.4 | Very low | 49.3 | Very low | 102 Ų | 102 | 60.7 Ų | 60.7 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -35.8 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | Q759 V761 | Q759-T763 WeakPolarHBondContact O-CB 3.17Å; Q759-T763 PolarHBondContact O-N 2.82Å; Q759-T763 PolarHBondContact O-OG1 3.32Å; V761-T763 VanDerWaalsContact C-N 3.32Å; V761-T763 PolarHBondContact O-N 3.24Å |
| 764 | V | 45.2 | Very low | 50.1 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -77.7 | -36 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | A724 L725 A760 V761 A762 | A724-V764 HydrophobicContact CB-CB 3.89Å; A724-V764 HydrophobicContact CB-CG1 3.63Å; L725-V764 HydrophobicContact CD2-CG1 4.47Å; A760-V764 VanDerWaalsContact O-CG2 3.28Å; A760-V764 WeakPolarHBondContact O-CG2 3.49Å; A760-V764 PolarHBondContact O-N 2.9Å; V761-V764 PolarHBondContact O-N 2.88Å; V761-V764 VanDerWaalsContact O-N 3.15Å; A762-V764 VanDerWaalsContact C-N 3.27Å; A762-V764 PolarHBondContact O-N 3.01Å |
| 765 | I | 50.9 | Low | 51.1 | Low | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.5 | -37.9 | -176 | -67.4 | 170.4 | 0 | 0 | 0 | 111.6 | A724 I727 V761 A762 S767 A770 L774 | A724-I765 HydrophobicContact CB-CG1 4.22Å; A724-I765 WeakPolarHBondContact O-CG1 3.5Å; I727-I765 HydrophobicContact CB-CD1 4.16Å; I727-I765 HydrophobicContact CG2-CD1 3.82Å; V761-I765 HydrophobicContact CG1-CD1 3.42Å; V761-I765 VanDerWaalsContact CG1-CD1 3.42Å; V761-I765 HydrophobicContact CG1-CG1 4.19Å; V761-I765 WeakPolarHBondContact O-CG1 3.4Å; V761-I765 PolarHBondContact O-N 2.96Å; A762-I765 PolarHBondContact O-N 3.28Å; I765-S767 PolarHBondContact O-N 2.97Å; I765-S767 VanDerWaalsContact O-N 3.13Å; I765-A770 HydrophobicContact CG2-CB 3.58Å; I765-L774 HydrophobicContact CD1-CD1 3.25Å |
| 766 | G | 49.4 | Very low | 51.9 | Low | 74 Ų | 74 | 49.6 Ų | 49.6 | 76% | 0.763 | 29% | 0.289 | S | S | * | . | trans | 67.2 | 8.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A762 | A762-G766 PolarHBondContact O-N 3.32Å; A762-G766 VanDerWaalsContact O-N 3.14Å | ||
| 767 | S | 56.6 | Low | 52.4 | Low | 48 Ų | 48 | 48.6 Ų | 48.6 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | trans | -112 | 128.4 | 174.7 | 166 | 0 | 0 | 0 | 0 | 110.2 | I765 A770 T771 | I765-S767 PolarHBondContact O-N 2.97Å; I765-S767 VanDerWaalsContact O-N 3.13Å; S767-A770 PolarHBondContact OG-N 3.36Å; S767-T771 WeakPolarHBondContact O-CB 3.22Å; S767-T771 PolarHBondContact O-N 2.9Å; S767-T771 PolarHBondContact O-OG1 3.07Å | ||
| 768 | E | 53.7 | Low | 52.8 | Low | 119 Ų | 119 | 45.3 Ų | 45.3 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 178.8 | -171.6 | -178.9 | 169.3 | 0 | 0 | 111.5 | A770 T771 H772 | E768-A770 VanDerWaalsContact C-N 3.33Å; E768-A770 PolarHBondContact O-N 3.37Å; E768-T771 WeakPolarHBondContact O-CB 3.3Å; E768-T771 PolarHBondContact O-N 3.49Å; E768-H772 PolarHBondContact O-N 2.69Å |
| 769 | A | 56.1 | Low | 53 | Low | 75 Ų | 75 | 46 Ų | 46 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y773 | A769-Y773 WeakPolarHBondContact O-CB 3.4Å; A769-Y773 PolarHBondContact O-N 3.04Å |
| 770 | A | 55.4 | Low | 53.3 | Low | 12 Ų | 12 | 48.9 Ų | 48.9 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I765 S767 E768 Y773 L774 | I765-A770 HydrophobicContact CG2-CB 3.58Å; S767-A770 PolarHBondContact OG-N 3.36Å; E768-A770 VanDerWaalsContact C-N 3.33Å; E768-A770 PolarHBondContact O-N 3.37Å; A770-Y773 PolarHBondContact O-N 3.44Å; A770-L774 VanDerWaalsContact O-CG 3.28Å; A770-L774 WeakPolarHBondContact O-CG 3.48Å; A770-L774 PolarHBondContact O-N 3.3Å; A770-L774 VanDerWaalsContact O-N 3.08Å |
| 771 | T | 57.3 | Low | 53.4 | Low | 10 Ų | 10 | 48.6 Ų | 48.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | A762 S767 E768 L774 L775 M918 | A762-T771 HydrophobicContact CB-CG2 3.42Å; A762-T771 VanDerWaalsContact CB-CG2 3.42Å; S767-T771 WeakPolarHBondContact O-CB 3.22Å; S767-T771 PolarHBondContact O-N 2.9Å; S767-T771 PolarHBondContact O-OG1 3.07Å; E768-T771 WeakPolarHBondContact O-CB 3.3Å; E768-T771 PolarHBondContact O-N 3.49Å; T771-L774 PolarHBondContact O-N 2.95Å; T771-L775 HydrophobicContact CG2-CD1 3.77Å; T771-L775 HydrophobicContact CG2-CG 4.46Å; T771-L775 WeakPolarHBondContact O-CG 3.29Å; T771-L775 PolarHBondContact O-N 2.76Å; T771-M918 HydrophobicContact CG2-CE 4.02Å |
| 772 | H | 57.3 | Low | 53.3 | Low | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.5 | -176.7 | -158.9 | 0 | 0 | 0 | 111.4 | E768 L774 L775 R776 S922 | E768-H772 PolarHBondContact O-N 2.69Å; H772-L774 VanDerWaalsContact C-N 3.32Å; H772-L774 PolarHBondContact O-N 3.08Å; H772-L775 PolarHBondContact O-N 3Å; H772-R776 WeakPolarHBondContact O-CB 3.14Å; H772-R776 PolarHBondContact O-N 2.95Å; H772-S922 PolarHBondContact CD2-OG 2.95Å; H772-S922 PolarHBondContact NE2-OG 2.75Å |
| 773 | Y | 59 | Low | 53.1 | Low | 43 Ų | 43 | 52 Ų | 52 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 177 | 179.9 | -114.9 | 0 | 0 | 0 | 112.5 | T739 A769 A770 R776 L777 | T739-Y773 HydrophobicContact CG2-CD2 3.72Å; T739-Y773 HydrophobicContact CG2-CE2 3.55Å; A769-Y773 WeakPolarHBondContact O-CB 3.4Å; A769-Y773 PolarHBondContact O-N 3.04Å; A770-Y773 PolarHBondContact O-N 3.44Å; Y773-R776 PolarHBondContact O-N 3.39Å; Y773-L777 HydrophobicContact CD1-CD1 3.67Å; Y773-L777 HydrophobicContact CD2-CD1 4.36Å; Y773-L777 HydrophobicContact CE1-CD1 3.23Å; Y773-L777 HydrophobicContact CE1-CG 4.27Å; Y773-L777 HydrophobicContact CE2-CD1 3.98Å; Y773-L777 HydrophobicContact CE2-CG 4.17Å; Y773-L777 HydrophobicContact CG-CD1 4.22Å; Y773-L777 WeakPolarHBondContact O-CB 3.36Å; Y773-L777 WeakPolarHBondContact O-CG 3.39Å; Y773-L777 PolarHBondContact O-N 3Å |
| 774 | L | 56.7 | Low | 53.1 | Low | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -39.3 | 179.3 | -70.6 | 172.9 | 0 | 0 | 0 | 113.7 | I727 V761 I765 A770 T771 H772 R776 L777 A778 | I727-L774 HydrophobicContact CD1-CD1 3.96Å; I727-L774 HydrophobicContact CD1-CD2 3.43Å; I727-L774 VanDerWaalsContact CD1-CD2 3.43Å; I727-L774 HydrophobicContact CD1-CG 4.3Å; I727-L774 HydrophobicContact CG1-CD2 4.34Å; I727-L774 HydrophobicContact CG2-CD1 4.08Å; I727-L774 HydrophobicContact CG2-CD2 4.35Å; I727-L774 HydrophobicContact CG2-CG 4.43Å; V761-L774 HydrophobicContact CG1-CD1 3.44Å; V761-L774 VanDerWaalsContact CG1-CD1 3.44Å; I765-L774 HydrophobicContact CD1-CD1 3.25Å; A770-L774 VanDerWaalsContact O-CG 3.28Å; A770-L774 WeakPolarHBondContact O-CG 3.48Å; A770-L774 PolarHBondContact O-N 3.3Å; A770-L774 VanDerWaalsContact O-N 3.08Å; T771-L774 PolarHBondContact O-N 2.95Å; H772-L774 VanDerWaalsContact C-N 3.32Å; H772-L774 PolarHBondContact O-N 3.08Å; L774-R776 VanDerWaalsContact C-N 3.26Å; L774-R776 PolarHBondContact O-N 2.86Å; L774-L777 HydrophobicContact CD2-CD1 4.44Å; L774-L777 PolarHBondContact O-N 3.15Å; L774-A778 VanDerWaalsContact O-CB 3.28Å; L774-A778 WeakPolarHBondContact O-CB 3.48Å; L774-A778 PolarHBondContact O-N 3.4Å |
| 775 | L | 57.8 | Low | 53.1 | Low | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 173 | -73.4 | 159.6 | 0 | 0 | 0 | 110.2 | V758 T771 H772 A778 V779 L925 C926 | V758-L775 HydrophobicContact CB-CD2 3.9Å; V758-L775 HydrophobicContact CG1-CB 4.42Å; V758-L775 HydrophobicContact CG1-CD2 3.29Å; V758-L775 HydrophobicContact CG1-CG 3.55Å; V758-L775 HydrophobicContact CG2-CD2 4.48Å; T771-L775 HydrophobicContact CG2-CD1 3.77Å; T771-L775 HydrophobicContact CG2-CG 4.46Å; T771-L775 WeakPolarHBondContact O-CG 3.29Å; T771-L775 PolarHBondContact O-N 2.76Å; H772-L775 PolarHBondContact O-N 3Å; L775-A778 PolarHBondContact O-N 2.87Å; L775-V779 PolarHBondContact O-N 3.25Å; L775-L925 HydrophobicContact CB-CB 4.3Å; L775-L925 HydrophobicContact CB-CD2 3.38Å; L775-L925 HydrophobicContact CB-CG 3.77Å; L775-C926 WeakPolarHBondContact CD1-SG 3.31Å |
| 776 | R | 57.7 | Low | 52.9 | Low | 157 Ų | 157 | 63.4 Ų | 63.4 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 179.6 | -148.3 | 177.9 | -171 | -174.7 | 4.6 | 111.4 | H772 Y773 L774 N780 L925 | H772-R776 WeakPolarHBondContact O-CB 3.14Å; H772-R776 PolarHBondContact O-N 2.95Å; Y773-R776 PolarHBondContact O-N 3.39Å; L774-R776 VanDerWaalsContact C-N 3.26Å; L774-R776 PolarHBondContact O-N 2.86Å; R776-N780 WeakPolarHBondContact O-CB 3.23Å; R776-N780 PolarHBondContact O-N 3.28Å; R776-N780 PolarHBondContact O-ND2 2.91Å; R776-L925 HydrophobicContact CB-CD2 4.27Å |
| 777 | L | 56.1 | Low | 52.9 | Low | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 171.4 | -76.5 | 167.1 | 0 | 0 | 0 | 112.5 | V748 I752 Y773 L774 V779 N780 A781 | V748-L777 HydrophobicContact CB-CD1 4.41Å; V748-L777 HydrophobicContact CG1-CD1 3.5Å; V748-L777 VanDerWaalsContact CG1-CD1 3.5Å; I752-L777 HydrophobicContact CD1-CD2 4.34Å; Y773-L777 HydrophobicContact CD1-CD1 3.67Å; Y773-L777 HydrophobicContact CD2-CD1 4.36Å; Y773-L777 HydrophobicContact CE1-CD1 3.23Å; Y773-L777 HydrophobicContact CE1-CG 4.27Å; Y773-L777 HydrophobicContact CE2-CD1 3.98Å; Y773-L777 HydrophobicContact CE2-CG 4.17Å; Y773-L777 HydrophobicContact CG-CD1 4.22Å; Y773-L777 WeakPolarHBondContact O-CB 3.36Å; Y773-L777 WeakPolarHBondContact O-CG 3.39Å; Y773-L777 PolarHBondContact O-N 3Å; L774-L777 HydrophobicContact CD2-CD1 4.44Å; L774-L777 PolarHBondContact O-N 3.15Å; L777-V779 VanDerWaalsContact C-N 3.28Å; L777-V779 PolarHBondContact O-N 2.86Å; L777-N780 CarbonylContact O-C 3.58Å; L777-N780 PolarHBondContact O-N 3.33Å; L777-A781 WeakPolarHBondContact O-CA 3.43Å; L777-A781 WeakPolarHBondContact O-CB 3.37Å; L777-A781 PolarHBondContact O-N 3.32Å |
| 778 | A | 52.4 | Low | 52.6 | Low | 26 Ų | 26 | 62.6 Ų | 62.6 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V758 L774 L775 A781 M782 | V758-A778 HydrophobicContact CG2-CB 3.79Å; L774-A778 VanDerWaalsContact O-CB 3.28Å; L774-A778 WeakPolarHBondContact O-CB 3.48Å; L774-A778 PolarHBondContact O-N 3.4Å; L775-A778 PolarHBondContact O-N 2.87Å; A778-A781 CarbonylContact O-C 3.59Å; A778-A781 WeakPolarHBondContact O-CB 3.23Å; A778-A781 PolarHBondContact O-N 2.82Å; A778-M782 WeakPolarHBondContact O-CG 3.47Å; A778-M782 PolarHBondContact O-N 2.86Å |
| 779 | V | 52.6 | Low | 53.3 | Low | 28 Ų | 28 | 60.2 Ų | 60.2 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75 | -37.8 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 113.1 | L775 L777 A781 M782 L925 N929 | L775-V779 PolarHBondContact O-N 3.25Å; L777-V779 VanDerWaalsContact C-N 3.28Å; L777-V779 PolarHBondContact O-N 2.86Å; V779-A781 PolarHBondContact O-N 2.92Å; V779-M782 HydrophobicContact CB-SD 4.37Å; V779-M782 HydrophobicContact CG2-SD 3.91Å; V779-M782 WeakPolarHBondContact O-CB 3.26Å; V779-M782 PolarHBondContact O-N 2.93Å; V779-L925 HydrophobicContact CB-CD1 3.58Å; V779-L925 HydrophobicContact CB-CG 4.47Å; V779-L925 HydrophobicContact CG1-CD1 3.91Å; V779-L925 HydrophobicContact CG2-CD1 3.16Å; V779-L925 HydrophobicContact CG2-CG 3.77Å; V779-N929 WeakPolarHBondContact CG2-ND2 3.37Å |
| 780 | N | 54.3 | Low | 54.4 | Low | 125 Ų | 125 | 56.8 Ų | 56.8 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.9 | -24.9 | 171.2 | -71.2 | -19.3 | 0 | 0 | 0 | 112.5 | R776 L777 | R776-N780 WeakPolarHBondContact O-CB 3.23Å; R776-N780 PolarHBondContact O-N 3.28Å; R776-N780 PolarHBondContact O-ND2 2.91Å; L777-N780 CarbonylContact O-C 3.58Å; L777-N780 PolarHBondContact O-N 3.33Å |
| 781 | A | 47.8 | Very low | 55.7 | Low | 32 Ų | 32 | 57.3 Ų | 57.3 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -85 | -19.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I752 L777 A778 V779 S783 | I752-A781 HydrophobicContact CB-CB 3.94Å; I752-A781 HydrophobicContact CG1-CB 4.12Å; I752-A781 HydrophobicContact CG2-CB 3.28Å; L777-A781 WeakPolarHBondContact O-CA 3.43Å; L777-A781 WeakPolarHBondContact O-CB 3.37Å; L777-A781 PolarHBondContact O-N 3.32Å; A778-A781 CarbonylContact O-C 3.59Å; A778-A781 WeakPolarHBondContact O-CB 3.23Å; A778-A781 PolarHBondContact O-N 2.82Å; V779-A781 PolarHBondContact O-N 2.92Å; A781-S783 PolarHBondContact O-N 2.84Å; A781-S783 VanDerWaalsContact O-N 3.17Å |
| 782 | M | 46.1 | Very low | 57.1 | Low | 35 Ų | 35 | 62.6 Ų | 62.6 | 17% | 0.172 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -57.1 | 124.5 | 173.9 | -79.4 | 171 | 66 | 0 | 0 | 107.1 | A778 V779 D786 A787 T928 | A778-M782 WeakPolarHBondContact O-CG 3.47Å; A778-M782 PolarHBondContact O-N 2.86Å; V779-M782 HydrophobicContact CB-SD 4.37Å; V779-M782 HydrophobicContact CG2-SD 3.91Å; V779-M782 WeakPolarHBondContact O-CB 3.26Å; V779-M782 PolarHBondContact O-N 2.93Å; M782-D786 HydrophobicContact CB-CB 4.03Å; M782-D786 HydrophobicContact CE-CB 4.05Å; M782-D786 WeakPolarHBondContact CE-O 3.35Å; M782-D786 HydrophobicContact CG-CB 4.18Å; M782-A787 HydrophobicContact CE-CB 4.3Å; M782-T928 HydrophobicContact CE-CG2 4.21Å; M782-T928 HydrophobicContact SD-CG2 4.25Å |
| 783 | S | 45.7 | Very low | 58.6 | Low | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | trans | -58 | 154.3 | 172.3 | 63.9 | 0 | 0 | 0 | 0 | 109.1 | A781 Q785 D786 A787 | A781-S783 PolarHBondContact O-N 2.84Å; A781-S783 VanDerWaalsContact O-N 3.17Å; S783-Q785 PolarHBondContact O-N 3.39Å; S783-D786 PolarHBondContact N-OD2 3.32Å; S783-D786 PolarHBondContact O-N 3.14Å; S783-D786 VanDerWaalsContact OG-CG 3.24Å; S783-D786 PolarHBondContact OG-N 3.06Å; S783-D786 PolarHBondContact OG-OD2 3.2Å; S783-A787 PolarHBondContact O-N 3.17Å | ||
| 784 | E | 47.3 | Very low | 60 | Low | 182 Ų | 182 | 63.8 Ų | 63.8 | 85% | 0.85 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -51.3 | -29.3 | 169.2 | -80.4 | -178 | 163.8 | 0 | 0 | 111.2 | A788 | E784-A788 WeakPolarHBondContact O-CB 3.49Å; E784-A788 PolarHBondContact O-N 3.02Å |
| 785 | Q | 44.3 | Very low | 61.6 | Low | 150 Ų | 150 | 64 Ų | 64 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.9 | -42.7 | 172.8 | -77.4 | 179.8 | -36.2 | 0 | 0 | 113.6 | S783 A788 N789 | S783-Q785 PolarHBondContact O-N 3.39Å; Q785-A788 CarbonylContact O-C 3.56Å; Q785-A788 PolarHBondContact O-N 3.17Å; Q785-N789 PolarHBondContact O-N 3.26Å; Q785-N789 VanDerWaalsContact O-N 3.08Å |
| 786 | D | 48 | Very low | 63.2 | Low | 73 Ų | 73 | 65.1 Ų | 65.1 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.2 | -36.5 | 177.9 | -66.7 | -55 | 0 | 0 | 0 | 111.9 | M782 S783 A788 N789 | M782-D786 HydrophobicContact CB-CB 4.03Å; M782-D786 HydrophobicContact CE-CB 4.05Å; M782-D786 WeakPolarHBondContact CE-O 3.35Å; M782-D786 HydrophobicContact CG-CB 4.18Å; S783-D786 PolarHBondContact N-OD2 3.32Å; S783-D786 PolarHBondContact O-N 3.14Å; S783-D786 VanDerWaalsContact OG-CG 3.24Å; S783-D786 PolarHBondContact OG-N 3.06Å; S783-D786 PolarHBondContact OG-OD2 3.2Å; D786-A788 VanDerWaalsContact C-N 3.34Å; D786-N789 WeakPolarHBondContact O-CB 3.46Å; D786-N789 PolarHBondContact O-N 2.92Å; D786-N789 VanDerWaalsContact O-N 3.16Å |
| 787 | A | 48.2 | Very low | 64.9 | Low | 37 Ų | 37 | 58.1 Ų | 58.1 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M782 S783 N789 | M782-A787 HydrophobicContact CE-CB 4.3Å; S783-A787 PolarHBondContact O-N 3.17Å; A787-N789 PolarHBondContact O-N 3.19Å |
| 788 | A | 50.3 | Low | 66.6 | Low | 69 Ų | 69 | 57.3 Ų | 57.3 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E784 Q785 D786 W790 | E784-A788 WeakPolarHBondContact O-CB 3.49Å; E784-A788 PolarHBondContact O-N 3.02Å; Q785-A788 CarbonylContact O-C 3.56Å; Q785-A788 PolarHBondContact O-N 3.17Å; D786-A788 VanDerWaalsContact C-N 3.34Å; A788-W790 PolarHBondContact O-N 3.42Å |
| 789 | N | 68.9 | Low | 68.5 | Low | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 13.4 | -176.6 | -160.9 | 10.2 | 0 | 0 | 0 | 113.7 | Q785 D786 A787 R934 N938 | Q785-N789 PolarHBondContact O-N 3.26Å; Q785-N789 VanDerWaalsContact O-N 3.08Å; D786-N789 WeakPolarHBondContact O-CB 3.46Å; D786-N789 PolarHBondContact O-N 2.92Å; D786-N789 VanDerWaalsContact O-N 3.16Å; A787-N789 PolarHBondContact O-N 3.19Å; N789-R934 PolarHBondContact ND2-NH1 3Å; N789-N938 PolarHBondContact O-ND2 3.14Å; N789-N938 PolarHBondContact O-OD1 2.78Å |
| 790 | W | 78.9 | Confident | 70.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 123.3 | 170.3 | -71.9 | 78.9 | 0 | 0 | 0 | 108.9 | A788 V881 N883 A884 L927 T928 I933 R934 H937 | A788-W790 PolarHBondContact O-N 3.42Å; W790-V881 HydrophobicContact CD2-CG2 4.49Å; W790-V881 HydrophobicContact CG-CG2 4.31Å; W790-N883 HydrophobicContact CB-CB 4.14Å; W790-N883 VanDerWaalsContact O-CB 3.3Å; W790-N883 WeakPolarHBondContact O-CB 3.42Å; W790-N883 PolarHBondContact O-ND2 2.99Å; W790-A884 HydrophobicContact CD2-CB 3.83Å; W790-A884 HydrophobicContact CE3-CB 3.58Å; W790-A884 HydrophobicContact CG-CB 4.33Å; W790-A884 HydrophobicContact CZ3-CB 3.98Å; W790-L927 HydrophobicContact CH2-CD2 4.06Å; W790-T928 WeakPolarHBondContact CZ2-O 3.44Å; W790-I933 HydrophobicContact CH2-CG2 4.17Å; W790-R934 HydrophobicContact CD2-CG 4.17Å; W790-R934 HydrophobicContact CH2-CB 3.76Å; W790-R934 HydrophobicContact CH2-CG 4.08Å; W790-R934 HydrophobicContact CZ2-CB 3.59Å; W790-R934 HydrophobicContact CZ2-CG 3.61Å; W790-R934 HydrophobicContact CZ3-CB 4.47Å; W790-H937 HydrophobicContact CE3-CB 4.13Å; W790-H937 AromaticContact CE3-CD2 3.49Å; W790-H937 VanDerWaalsContact CE3-CD2 3.49Å; W790-H937 AromaticContact CE3-CE1 3.78Å; W790-H937 AromaticContact CE3-CG 3.56Å; W790-H937 AromaticContact CE3-ND1 3.76Å; W790-H937 AromaticContact CE3-NE2 3.62Å; W790-H937 HydrophobicContact CZ3-CB 3.79Å; W790-H937 AromaticContact CZ3-CG 3.64Å; W790-H937 AromaticContact CZ3-ND1 3.82Å |
| 791 | C | 83 | Confident | 72.2 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 159.9 | 179.8 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | H937 N938 | C791-H937 PolarHBondContact O-NE2 3.1Å; C791-N938 PolarHBondContact N-OD1 3.22Å |
| 792 | L | 86.4 | Confident | 74.2 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 136.1 | 167.4 | -68.8 | 170 | 0 | 0 | 0 | 110 | N883 | L792-N883 HydrophobicContact CD2-CB 4.09Å; L792-N883 VanDerWaalsContact CD2-OD1 3.23Å; L792-N883 WeakPolarHBondContact CD2-OD1 3.4Å |
| 793 | I | 88.4 | Confident | 76.3 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 133.5 | 176.4 | -63.1 | -64.8 | 0 | 0 | 0 | 109.9 | V799 F800 M803 A886 H937 F940 | I793-V799 HydrophobicContact CG2-CG1 3.9Å; I793-F800 HydrophobicContact CG2-CE2 3.83Å; I793-F800 HydrophobicContact CG2-CZ 4.28Å; I793-M803 HydrophobicContact CD1-SD 4.34Å; I793-M803 HydrophobicContact CG2-SD 3.96Å; I793-A886 HydrophobicContact CB-CB 3.58Å; I793-A886 HydrophobicContact CG1-CB 3.89Å; I793-A886 HydrophobicContact CG2-CB 3.84Å; I793-H937 WeakPolarHBondContact CD1-O 3.43Å; I793-H937 WeakPolarHBondContact CG1-CE1 3.49Å; I793-F940 HydrophobicContact CD1-CB 3.89Å; I793-F940 HydrophobicContact CD1-CD2 4.5Å |
| 794 | E | 88.7 | Confident | 78.5 | Confident | 103 Ų | 103 | 46.4 Ų | 46.4 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 137.4 | 175 | -170.6 | 172.7 | -156.8 | 0 | 0 | 110.8 | D796 F800 R1072 | E794-D796 HydrophobicContact CG-CB 4.15Å; E794-D796 PolarHBondContact O-N 3.11Å; E794-F800 WeakPolarHBondContact O-CE2 3.29Å; E794-R1072 IonicContact OE2-CZ 3.34Å; E794-R1072 IonicContact OE2-NE 3.06Å; E794-R1072 PolarHBondContact OE2-NE 2.86Å; E794-R1072 IonicContact OE2-NH2 2.76Å; E794-R1072 PolarHBondContact OE2-NH2 3.44Å |
| 795 | S | 89.9 | Confident | 80.4 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -77.1 | 63.4 | 179.8 | -156.6 | 0 | 0 | 0 | 0 | 111.5 | L853 F962 N1017 | S795-L853 VanDerWaalsContact CB-CD2 3.41Å; S795-L853 WeakPolarHBondContact OG-CD2 3.12Å; S795-F962 WeakPolarHBondContact OG-CE1 3.42Å; S795-N1017 PolarHBondContact O-ND2 3.06Å; S795-N1017 PolarHBondContact OG-ND2 2.91Å | ||
| 796 | D | 92.5 | Very high | 82.2 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | trans | -123.5 | 130.6 | -171.6 | 176.4 | -79.3 | 0 | 0 | 0 | 111 | E794 A798 V799 F800 R1072 | E794-D796 HydrophobicContact CG-CB 4.15Å; E794-D796 PolarHBondContact O-N 3.11Å; D796-A798 VanDerWaalsContact C-N 3.27Å; D796-A798 PolarHBondContact O-N 3.11Å; D796-A798 VanDerWaalsContact OD1-CA 3.29Å; D796-A798 WeakPolarHBondContact OD1-CA 3.47Å; D796-A798 WeakPolarHBondContact OD1-CB 3.41Å; D796-A798 PolarHBondContact OD1-N 3.13Å; D796-V799 HydrophobicContact CB-CB 4.24Å; D796-V799 HydrophobicContact CB-CG2 3.94Å; D796-V799 PolarHBondContact O-N 3.17Å; D796-V799 VanDerWaalsContact O-N 3.15Å; D796-V799 PolarHBondContact OD1-N 2.97Å; D796-V799 VanDerWaalsContact OD1-N 3.09Å; D796-F800 WeakPolarHBondContact O-CD2 3.42Å; D796-F800 PolarHBondContact O-N 3.34Å; D796-R1072 IonicContact OD1-CZ 2.64Å; D796-R1072 IonicContact OD1-NH1 3.81Å; D796-R1072 PolarHBondContact OD1-NH1 3.44Å; D796-R1072 IonicContact OD1-NH2 4Å; D796-R1072 IonicContact OD2-CZ 3.15Å; D796-R1072 IonicContact OD2-NH1 2.65Å; D796-R1072 IonicContact OD2-NH2 2.83Å; D796-R1072 PolarHBondContact OD2-NH2 2.86Å | ||
| 797 | P | 93.1 | Very high | 83.9 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -32.3 | -178.7 | -25 | 32.7 | 0 | 0 | 0 | 114.4 | T801 V830 E832 M1019 | P797-T801 WeakPolarHBondContact O-CB 3.5Å; P797-T801 PolarHBondContact O-N 3.06Å; P797-T801 PolarHBondContact O-OG1 3.09Å; P797-V830 HydrophobicContact CB-CB 4.48Å; P797-V830 HydrophobicContact CB-CG1 4.31Å; P797-E832 HydrophobicContact CG-CB 3.8Å; P797-M1019 HydrophobicContact CG-SD 4.48Å |
| 798 | A | 91.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.7 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D796 E802 Y1065 N1069 | D796-A798 VanDerWaalsContact C-N 3.27Å; D796-A798 PolarHBondContact O-N 3.11Å; D796-A798 VanDerWaalsContact OD1-CA 3.29Å; D796-A798 WeakPolarHBondContact OD1-CA 3.47Å; D796-A798 WeakPolarHBondContact OD1-CB 3.41Å; D796-A798 PolarHBondContact OD1-N 3.13Å; A798-E802 WeakPolarHBondContact O-CB 3.4Å; A798-E802 PolarHBondContact O-N 2.78Å; A798-E802 VanDerWaalsContact O-N 3.11Å; A798-Y1065 HydrophobicContact CB-CD1 3.55Å; A798-Y1065 HydrophobicContact CB-CD2 3.52Å; A798-Y1065 HydrophobicContact CB-CE1 3.94Å; A798-Y1065 HydrophobicContact CB-CE2 3.91Å; A798-Y1065 HydrophobicContact CB-CG 3.32Å; A798-N1069 PolarHBondContact O-ND2 3.15Å; A798-N1069 VanDerWaalsContact O-ND2 3.09Å |
| 799 | V | 91.9 | Very high | 84.9 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -53.3 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | I793 D796 T801 E802 M803 F940 | I793-V799 HydrophobicContact CG2-CG1 3.9Å; D796-V799 HydrophobicContact CB-CB 4.24Å; D796-V799 HydrophobicContact CB-CG2 3.94Å; D796-V799 PolarHBondContact O-N 3.17Å; D796-V799 VanDerWaalsContact O-N 3.15Å; D796-V799 PolarHBondContact OD1-N 2.97Å; D796-V799 VanDerWaalsContact OD1-N 3.09Å; V799-T801 PolarHBondContact O-N 2.84Å; V799-E802 PolarHBondContact O-N 3.43Å; V799-E802 VanDerWaalsContact O-N 3.17Å; V799-M803 HydrophobicContact CG1-CG 4.48Å; V799-M803 HydrophobicContact CG1-SD 4.07Å; V799-M803 WeakPolarHBondContact O-CG 3.16Å; V799-M803 PolarHBondContact O-N 3.11Å; V799-F940 HydrophobicContact CB-CD1 4.39Å; V799-F940 HydrophobicContact CB-CE1 4.31Å; V799-F940 HydrophobicContact CG1-CB 4.45Å; V799-F940 HydrophobicContact CG1-CD1 3.74Å; V799-F940 HydrophobicContact CG1-CD2 4.15Å; V799-F940 HydrophobicContact CG1-CE1 3.92Å; V799-F940 HydrophobicContact CG1-CE2 4.34Å; V799-F940 HydrophobicContact CG1-CG 3.84Å; V799-F940 HydrophobicContact CG1-CZ 4.21Å; V799-F940 HydrophobicContact CG2-CD1 4.1Å; V799-F940 HydrophobicContact CG2-CE1 4.23Å |
| 800 | F | 93.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | -179 | -82.9 | -106.9 | 0 | 0 | 0 | 112.4 | I793 E794 D796 E802 M803 I804 V830 I851 A886 L890 F962 M1019 | I793-F800 HydrophobicContact CG2-CE2 3.83Å; I793-F800 HydrophobicContact CG2-CZ 4.28Å; E794-F800 WeakPolarHBondContact O-CE2 3.29Å; D796-F800 WeakPolarHBondContact O-CD2 3.42Å; D796-F800 PolarHBondContact O-N 3.34Å; F800-E802 VanDerWaalsContact C-N 3.26Å; F800-E802 PolarHBondContact O-N 3.1Å; F800-M803 PolarHBondContact O-N 2.7Å; F800-I804 WeakPolarHBondContact O-CG1 3.29Å; F800-I804 PolarHBondContact O-N 3.25Å; F800-V830 HydrophobicContact CB-CB 4.13Å; F800-V830 HydrophobicContact CB-CG1 4.18Å; F800-V830 HydrophobicContact CB-CG2 3.73Å; F800-I851 HydrophobicContact CD1-CD1 3.86Å; F800-I851 HydrophobicContact CE1-CD1 3.83Å; F800-I851 HydrophobicContact CE1-CG2 4.38Å; F800-A886 HydrophobicContact CE1-CB 4.35Å; F800-A886 HydrophobicContact CZ-CB 3.8Å; F800-L890 HydrophobicContact CD1-CB 4.44Å; F800-L890 HydrophobicContact CD1-CD1 4.42Å; F800-L890 HydrophobicContact CD1-CD2 4.02Å; F800-L890 HydrophobicContact CE1-CB 4.47Å; F800-F962 HydrophobicContact CE2-CE1 4.1Å; F800-F962 HydrophobicContact CE2-CZ 4.18Å; F800-F962 HydrophobicContact CZ-CD1 4.05Å; F800-F962 AromaticContact CZ-CE1 3.62Å; F800-F962 HydrophobicContact CZ-CE1 3.62Å; F800-F962 AromaticContact CZ-CZ 3.91Å; F800-F962 HydrophobicContact CZ-CZ 3.91Å; F800-M1019 HydrophobicContact CD1-CE 4.28Å; F800-M1019 HydrophobicContact CD2-CE 3.78Å; F800-M1019 HydrophobicContact CD2-SD 4.1Å; F800-M1019 HydrophobicContact CE1-CE 4.14Å; F800-M1019 HydrophobicContact CE2-CE 3.62Å; F800-M1019 HydrophobicContact CE2-SD 4.48Å; F800-M1019 HydrophobicContact CG-CE 4.12Å; F800-M1019 HydrophobicContact CG-SD 4.37Å; F800-M1019 HydrophobicContact CZ-CE 3.81Å |
| 801 | T | 92.2 | Very high | 82 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -38.1 | 175 | -62 | 0 | 0 | 0 | 0 | 111.5 | P797 V799 K805 E829 V830 | P797-T801 WeakPolarHBondContact O-CB 3.5Å; P797-T801 PolarHBondContact O-N 3.06Å; P797-T801 PolarHBondContact O-OG1 3.09Å; V799-T801 PolarHBondContact O-N 2.84Å; T801-K805 PolarHBondContact O-N 2.88Å; T801-E829 HydrophobicContact CG2-CB 4.13Å; T801-V830 PolarHBondContact OG1-N 2.88Å |
| 802 | E | 89.6 | Confident | 79.9 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -76 | -33.7 | 176.8 | -172.8 | 168.6 | 167.7 | 0 | 0 | 112.6 | A798 V799 F800 K805 G806 F940 N1069 R1073 | A798-E802 WeakPolarHBondContact O-CB 3.4Å; A798-E802 PolarHBondContact O-N 2.78Å; A798-E802 VanDerWaalsContact O-N 3.11Å; V799-E802 PolarHBondContact O-N 3.43Å; V799-E802 VanDerWaalsContact O-N 3.17Å; F800-E802 VanDerWaalsContact C-N 3.26Å; F800-E802 PolarHBondContact O-N 3.1Å; E802-K805 PolarHBondContact O-N 3.17Å; E802-G806 PolarHBondContact O-N 3.15Å; E802-F940 HydrophobicContact CB-CZ 3.94Å; E802-F940 HydrophobicContact CG-CZ 3.98Å; E802-N1069 VanDerWaalsContact OE2-CB 3.26Å; E802-N1069 WeakPolarHBondContact OE2-CB 3.36Å; E802-N1069 PolarHBondContact OE2-ND2 3.5Å; E802-R1073 IonicContact OE1-CZ 3.29Å; E802-R1073 IonicContact OE1-NH1 2.72Å; E802-R1073 PolarHBondContact OE1-NH1 3.29Å; E802-R1073 IonicContact OE1-NH2 3.81Å; E802-R1073 PolarHBondContact OE1-NH2 3.35Å |
| 803 | M | 90.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 170.9 | -72 | 176.2 | 71.2 | 0 | 0 | 112.2 | I793 V799 F800 K805 G806 F807 S887 L890 V936 F940 | I793-M803 HydrophobicContact CD1-SD 4.34Å; I793-M803 HydrophobicContact CG2-SD 3.96Å; V799-M803 HydrophobicContact CG1-CG 4.48Å; V799-M803 HydrophobicContact CG1-SD 4.07Å; V799-M803 WeakPolarHBondContact O-CG 3.16Å; V799-M803 PolarHBondContact O-N 3.11Å; F800-M803 PolarHBondContact O-N 2.7Å; M803-K805 VanDerWaalsContact C-N 3.32Å; M803-K805 PolarHBondContact O-N 3.09Å; M803-G806 PolarHBondContact O-N 2.78Å; M803-F807 HydrophobicContact CB-CE2 4.32Å; M803-F807 HydrophobicContact CB-CZ 4.42Å; M803-F807 HydrophobicContact CE-CE1 4.48Å; M803-F807 HydrophobicContact CE-CE2 4.17Å; M803-F807 HydrophobicContact CE-CZ 3.61Å; M803-F807 WeakPolarHBondContact O-CD2 3.26Å; M803-F807 VanDerWaalsContact O-CG 3.27Å; M803-F807 WeakPolarHBondContact O-CG 3.46Å; M803-F807 PolarHBondContact O-N 3.43Å; M803-S887 VanDerWaalsContact CE-OG 3.29Å; M803-S887 WeakPolarHBondContact CE-OG 3.43Å; M803-L890 HydrophobicContact CB-CD2 3.9Å; M803-V936 HydrophobicContact CB-CG1 4.44Å; M803-V936 HydrophobicContact CG-CG1 4.41Å; M803-F940 HydrophobicContact CG-CD2 3.95Å; M803-F940 HydrophobicContact CG-CE2 3.44Å; M803-F940 VanDerWaalsContact CG-CE2 3.44Å; M803-F940 HydrophobicContact CG-CZ 4.21Å; M803-F940 HydrophobicContact SD-CD2 4.45Å; M803-F940 HydrophobicContact SD-CE2 4.47Å |
| 804 | I | 90.6 | Very high | 74.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.4 | -53.8 | 173.8 | -69.6 | 175.4 | 0 | 0 | 0 | 109.3 | F800 G806 F807 C825 V830 L890 L894 I1021 | F800-I804 WeakPolarHBondContact O-CG1 3.29Å; F800-I804 PolarHBondContact O-N 3.25Å; I804-G806 PolarHBondContact O-N 3.43Å; I804-F807 PolarHBondContact O-N 2.67Å; I804-C825 HydrophobicContact CG2-CB 3.68Å; I804-C825 WeakPolarHBondContact O-CB 3.41Å; I804-V830 HydrophobicContact CD1-CG2 3.54Å; I804-L890 HydrophobicContact CD1-CD1 4.06Å; I804-L890 HydrophobicContact CG1-CD1 3.77Å; I804-L890 HydrophobicContact CG1-CD2 3.86Å; I804-L890 HydrophobicContact CG1-CG 4.24Å; I804-L894 HydrophobicContact CG1-CD1 4.26Å; I804-I1021 HydrophobicContact CD1-CD1 4.3Å; I804-I1021 HydrophobicContact CD1-CG2 4.38Å |
| 805 | K | 87 | Confident | 72.5 | Confident | 81 Ų | 81 | 36.6 Ų | 36.6 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 179.4 | -67.7 | 177.2 | -178.3 | -176.7 | 0 | 111.5 | T801 E802 M803 F807 G808 G824 | T801-K805 PolarHBondContact O-N 2.88Å; E802-K805 PolarHBondContact O-N 3.17Å; M803-K805 VanDerWaalsContact C-N 3.32Å; M803-K805 PolarHBondContact O-N 3.09Å; K805-F807 PolarHBondContact O-N 2.83Å; K805-G808 PolarHBondContact O-N 2.65Å; K805-G824 WeakPolarHBondContact O-CA 3.08Å |
| 806 | G | 83.5 | Confident | 70 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E802 M803 I804 G808 T809 V936 | E802-G806 PolarHBondContact O-N 3.15Å; M803-G806 PolarHBondContact O-N 2.78Å; I804-G806 PolarHBondContact O-N 3.43Å; G806-G808 PolarHBondContact O-N 2.83Å; G806-T809 PolarHBondContact O-N 3.44Å; G806-T809 PolarHBondContact O-OG1 3.26Å; G806-V936 WeakPolarHBondContact O-CG2 3.22Å |
| 807 | F | 82.3 | Confident | 67.3 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -22 | -180 | -71.2 | -27.1 | 0 | 0 | 0 | 114.2 | M803 I804 K805 S887 L890 I891 T907 L908 I933 V936 | M803-F807 HydrophobicContact CB-CE2 4.32Å; M803-F807 HydrophobicContact CB-CZ 4.42Å; M803-F807 HydrophobicContact CE-CE1 4.48Å; M803-F807 HydrophobicContact CE-CE2 4.17Å; M803-F807 HydrophobicContact CE-CZ 3.61Å; M803-F807 WeakPolarHBondContact O-CD2 3.26Å; M803-F807 VanDerWaalsContact O-CG 3.27Å; M803-F807 WeakPolarHBondContact O-CG 3.46Å; M803-F807 PolarHBondContact O-N 3.43Å; I804-F807 PolarHBondContact O-N 2.67Å; K805-F807 PolarHBondContact O-N 2.83Å; F807-S887 WeakPolarHBondContact CZ-OG 3.18Å; F807-L890 HydrophobicContact CD2-CD2 4.19Å; F807-L890 HydrophobicContact CE2-CD2 3.73Å; F807-L890 HydrophobicContact CE2-CG 4.21Å; F807-I891 HydrophobicContact CD2-CD1 4.39Å; F807-I891 HydrophobicContact CD2-CG1 4.04Å; F807-I891 HydrophobicContact CE2-CD1 4.08Å; F807-I891 HydrophobicContact CE2-CG1 3.9Å; F807-I891 HydrophobicContact CZ-CD1 4.23Å; F807-T907 WeakPolarHBondContact O-CB 3.38Å; F807-T907 WeakPolarHBondContact O-CG2 3.27Å; F807-L908 HydrophobicContact CB-CD1 4.02Å; F807-L908 HydrophobicContact CB-CD2 4.23Å; F807-L908 HydrophobicContact CB-CG 4.11Å; F807-I933 HydrophobicContact CD1-CG1 4.44Å; F807-I933 HydrophobicContact CD1-CG2 4.43Å; F807-I933 HydrophobicContact CE1-CB 4.37Å; F807-I933 HydrophobicContact CE1-CG2 3.82Å; F807-I933 HydrophobicContact CZ-CG2 4.25Å; F807-V936 HydrophobicContact CD1-CB 3.8Å; F807-V936 HydrophobicContact CD1-CG1 3.66Å; F807-V936 HydrophobicContact CD1-CG2 4.14Å; F807-V936 HydrophobicContact CE1-CB 3.73Å; F807-V936 HydrophobicContact CE1-CG1 3.61Å; F807-V936 HydrophobicContact CZ-CG1 4.47Å |
| 808 | G | 64.7 | Low | 64.4 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -92.7 | -11.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | K805 G806 | K805-G808 PolarHBondContact O-N 2.65Å; G806-G808 PolarHBondContact O-N 2.83Å |
| 809 | T | 54.6 | Low | 61.7 | Low | 47 Ų | 47 | 54.8 Ų | 54.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -83.7 | 153.5 | -176.3 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | G806 L811 T907 | G806-T809 PolarHBondContact O-N 3.44Å; G806-T809 PolarHBondContact O-OG1 3.26Å; T809-L811 PolarHBondContact O-N 2.76Å; T809-T907 PolarHBondContact O-OG1 3.46Å |
| 810 | L | 44 | Very low | 58.9 | Low | 65 Ų | 65 | 63.6 Ų | 63.6 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | trans | -81 | 104.5 | 158.5 | -106.6 | 136.6 | 0 | 0 | 0 | 107 | S812 L822 | L810-S812 PolarHBondContact O-N 3.06Å; L810-L822 HydrophobicContact CD1-CD1 3.8Å | ||
| 811 | L | 43.3 | Very low | 56.1 | Low | 98 Ų | 98 | 66.9 Ų | 66.9 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 9.8 | -177.9 | -112.2 | 161.3 | 0 | 0 | 0 | 114.6 | T809 V936 | T809-L811 PolarHBondContact O-N 2.76Å; L811-V936 HydrophobicContact CD1-CG2 3.47Å; L811-V936 VanDerWaalsContact CD1-CG2 3.47Å |
| 812 | S | 38.9 | Very low | 53.4 | Low | 88 Ų | 88 | 70.6 Ų | 70.6 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 18.4 | -175.6 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | L810 | L810-S812 PolarHBondContact O-N 3.06Š|
| 813 | L | 34.9 | Very low | 51 | Low | 87 Ų | 87 | 73.7 Ų | 73.7 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -106.5 | 122.1 | 169.6 | -72.2 | 170.1 | 0 | 0 | 0 | 110 | H817 | L813-H817 HydrophobicContact CD1-CB 4.4Š|
| 814 | P | 36 | Very low | 49.4 | Very low | 78 Ų | 78 | 74.2 Ų | 74.2 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | trans | -55 | 155.3 | 172.7 | -21.3 | 31 | 0 | 0 | 0 | 111.7 | G816 | P814-G816 PolarHBondContact O-N 2.97Š| ||
| 815 | P | 36.6 | Very low | 48.3 | Very low | 77 Ų | 77 | 74.3 Ų | 74.3 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 114.4 | 177.5 | -9.4 | 22.3 | 0 | 0 | 0 | 109.6 | ||
| 816 | G | 38.4 | Very low | 48.1 | Very low | 47 Ų | 47 | 71.7 Ų | 71.7 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 152.6 | -25.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | P814 L818 | P814-G816 PolarHBondContact O-N 2.97Å; G816-L818 VanDerWaalsContact C-N 3.35Å; G816-L818 PolarHBondContact O-N 2.98Å |
| 817 | H | 35.6 | Very low | 48.3 | Very low | 98 Ų | 98 | 71.6 Ų | 71.6 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | trans | -78.8 | 77.6 | 175.3 | -75.2 | 65.3 | 0 | 0 | 0 | 111.3 | D485 L813 | D485-H817 IonicContact OD2-CE1 3.08Å; D485-H817 PolarHBondContact OD2-CE1 3.26Å; D485-H817 IonicContact OD2-ND1 3.9Å; D485-H817 IonicContact OD2-NE2 3.39Å; L813-H817 HydrophobicContact CD1-CB 4.4Å | ||
| 818 | L | 33.1 | Very low | 48.7 | Very low | 158 Ų | 158 | 71.6 Ų | 71.6 | 83% | 0.827 | 42% | 0.415 | S | S | * | . | trans | -94.7 | 3 | -174.1 | -104.3 | 167.9 | 0 | 0 | 0 | 115.9 | G816 | G816-L818 VanDerWaalsContact C-N 3.35Å; G816-L818 PolarHBondContact O-N 2.98Å | ||
| 819 | I | 33.5 | Very low | 50 | Low | 144 Ų | 144 | 71.9 Ų | 71.9 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -138 | 81.7 | -166.9 | -50.8 | -179.4 | 0 | 0 | 0 | 111.8 | ||
| 820 | E | 33.7 | Very low | 51.8 | Low | 187 Ų | 187 | 69.7 Ų | 69.7 | 87% | 0.874 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 121.4 | 4.2 | 150.3 | -61.9 | 175.4 | -177 | 0 | 0 | 121 | ||
| 821 | A | 34.6 | Very low | 54.1 | Low | 70 Ų | 70 | 67.9 Ų | 67.9 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -158.5 | 127.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 822 | L | 36 | Very low | 56.4 | Low | 84 Ų | 84 | 66.3 Ų | 66.3 | 44% | 0.44 | 38% | 0.383 | S | S | . | . | cis | -137.6 | 131.6 | 10.7 | -71.6 | 97.6 | 0 | 0 | 0 | 106.9 | L810 G824 | L810-L822 HydrophobicContact CD1-CD1 3.8Å; L822-G824 PolarHBondContact O-N 3.47Å | ||
| 823 | L | 38.9 | Very low | 58.9 | Low | 120 Ų | 120 | 62.6 Ų | 62.6 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | trans | -53.1 | 129.8 | 169.5 | -83 | 79.6 | 0 | 0 | 0 | 108 | S826 | L823-S826 WeakPolarHBondContact CD2-OG 3.33Š| ||
| 824 | G | 56.5 | Low | 61.3 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | trans | -58.2 | -169.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K805 L822 S826 | K805-G824 WeakPolarHBondContact O-CA 3.08Å; L822-G824 PolarHBondContact O-N 3.47Å; G824-S826 PolarHBondContact O-N 2.94Å | ||
| 825 | C | 68.6 | Low | 63.5 | Low | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -61.7 | 122.3 | 167.9 | -177.8 | 0 | 0 | 0 | 0 | 107 | I804 D903 | I804-C825 HydrophobicContact CG2-CB 3.68Å; I804-C825 WeakPolarHBondContact O-CB 3.41Å; C825-D903 CarbonylContact C-O 3.59Å; C825-D903 WeakPolarHBondContact CA-O 3.43Å; C825-D903 PolarHBondContact SG-O 3.43Å |
| 826 | S | 82.6 | Confident | 65.6 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -132.3 | 159.3 | -169.8 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | L823 G824 A828 V902 D903 | L823-S826 WeakPolarHBondContact CD2-OG 3.33Å; G824-S826 PolarHBondContact O-N 2.94Å; S826-A828 VanDerWaalsContact C-N 3.29Å; S826-V902 WeakPolarHBondContact O-CA 3.43Å; S826-D903 PolarHBondContact N-O 3.33Å; S826-D903 PolarHBondContact O-N 2.8Å |
| 827 | G | 86.8 | Confident | 67.6 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 83.6 | -0.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D901 P1023 E1024 | G827-D901 WeakPolarHBondContact CA-O 3.36Å; G827-P1023 WeakPolarHBondContact O-CA 3.29Å; G827-E1024 PolarHBondContact O-N 3.01Å; G827-E1024 VanDerWaalsContact O-N 3.09Å |
| 828 | A | 90.5 | Very high | 69.6 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S826 Y848 V902 I1021 V1022 | S826-A828 VanDerWaalsContact C-N 3.29Å; A828-Y848 HydrophobicContact CB-CD2 4.28Å; A828-Y848 HydrophobicContact CB-CE2 4.25Å; A828-V902 HydrophobicContact CB-CG2 4.31Å; A828-I1021 HydrophobicContact CB-CG2 3.91Å; A828-V1022 WeakPolarHBondContact CA-O 3.4Å |
| 829 | E | 92 | Very high | 71.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 166.5 | 170.2 | 69.8 | 178 | -125.6 | 0 | 0 | 110.4 | T801 Q831 I1021 V1022 E1024 K1025 K1061 | T801-E829 HydrophobicContact CG2-CB 4.13Å; E829-Q831 PolarHBondContact OE1-NE2 3.47Å; E829-I1021 WeakPolarHBondContact O-CA 3.21Å; E829-V1022 HydrophobicContact CG-CG2 3.73Å; E829-V1022 PolarHBondContact N-O 3.41Å; E829-V1022 PolarHBondContact O-N 3.43Å; E829-E1024 WeakPolarHBondContact OE2-CA 3.45Å; E829-K1025 PolarHBondContact OE2-N 3.29Å; E829-K1061 IonicContact OE1-NZ 3.76Å; E829-K1061 PolarHBondContact OE1-NZ 3.24Å |
| 830 | V | 93.9 | Very high | 73.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.3 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | P797 F800 T801 I804 M1019 A1020 I1021 | P797-V830 HydrophobicContact CB-CB 4.48Å; P797-V830 HydrophobicContact CB-CG1 4.31Å; F800-V830 HydrophobicContact CB-CB 4.13Å; F800-V830 HydrophobicContact CB-CG1 4.18Å; F800-V830 HydrophobicContact CB-CG2 3.73Å; T801-V830 PolarHBondContact OG1-N 2.88Å; I804-V830 HydrophobicContact CD1-CG2 3.54Å; V830-M1019 HydrophobicContact CG1-CB 3.7Å; V830-M1019 HydrophobicContact CG1-CG 4.13Å; V830-M1019 HydrophobicContact CG1-SD 3.92Å; V830-A1020 WeakPolarHBondContact CA-O 3.36Å; V830-I1021 HydrophobicContact CG2-CG1 4.24Å |
| 831 | Q | 91.3 | Very high | 75 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147 | 173.7 | -71.1 | 176.7 | 29.4 | 0 | 0 | 110.4 | E829 M1019 A1020 V1022 K1025 | E829-Q831 PolarHBondContact OE1-NE2 3.47Å; Q831-M1019 CarbonylContact O-C 3.51Å; Q831-M1019 VanDerWaalsContact O-CA 3.31Å; Q831-M1019 WeakPolarHBondContact O-CA 3.18Å; Q831-A1020 PolarHBondContact N-O 3.28Å; Q831-A1020 PolarHBondContact O-N 3.17Å; Q831-V1022 HydrophobicContact CB-CG2 4.48Å; Q831-V1022 HydrophobicContact CG-CG2 3.96Å; Q831-K1025 VanDerWaalsContact NE2-CD 3.26Å |
| 832 | E | 92.3 | Very high | 76.3 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 141.1 | 175.5 | -168.8 | 164.8 | -139.5 | 0 | 0 | 110.4 | P797 Y834 N1017 | P797-E832 HydrophobicContact CG-CB 3.8Å; E832-Y834 HydrophobicContact CB-CE1 4.48Å; E832-Y834 HydrophobicContact CB-CE2 4.21Å; E832-Y834 HydrophobicContact CG-CD1 4.41Å; E832-Y834 HydrophobicContact CG-CE1 3.96Å; E832-Y834 HydrophobicContact CG-CE2 4.44Å; E832-Y834 WeakPolarHBondContact OE2-CE1 3.48Å; E832-Y834 PolarHBondContact OE2-OH 3.1Å; E832-N1017 PolarHBondContact OE1-OD1 3.23Å |
| 833 | V | 90.4 | Very high | 77.7 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | trans | -108.6 | 108.2 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 108 | S835 D838 L839 M844 L850 L1018 A1020 | V833-S835 WeakPolarHBondContact CG1-O 3.45Å; V833-D838 HydrophobicContact CG1-CB 4.32Å; V833-L839 HydrophobicContact CG1-CD2 3.91Å; V833-L839 HydrophobicContact CG1-CG 4.17Å; V833-L839 HydrophobicContact CG2-CD2 4.36Å; V833-M844 HydrophobicContact CG2-CE 3.67Å; V833-L850 HydrophobicContact CG2-CD2 4.47Å; V833-L1018 HydrophobicContact CB-CB 4.13Å; V833-L1018 HydrophobicContact CB-CD2 3.93Å; V833-L1018 HydrophobicContact CB-CG 3.91Å; V833-L1018 HydrophobicContact CG1-CD2 3.86Å; V833-L1018 HydrophobicContact CG1-CG 4.41Å; V833-L1018 HydrophobicContact CG2-CD2 4.42Å; V833-L1018 HydrophobicContact CG2-CG 4.22Å; V833-L1018 PolarHBondContact N-O 3.43Å; V833-A1020 HydrophobicContact CG2-CB 3.72Å | ||
| 834 | Y | 85.3 | Confident | 79.1 | Confident | 183 Ų | 183 | 52.7 Ų | 52.7 | 72% | 0.718 | 28% | 0.28 | S | S | * | . | trans | -82.4 | -31.4 | -173.1 | -63 | -81 | 0 | 0 | 0 | 113 | E832 | E832-Y834 HydrophobicContact CB-CE1 4.48Å; E832-Y834 HydrophobicContact CB-CE2 4.21Å; E832-Y834 HydrophobicContact CG-CD1 4.41Å; E832-Y834 HydrophobicContact CG-CE1 3.96Å; E832-Y834 HydrophobicContact CG-CE2 4.44Å; E832-Y834 WeakPolarHBondContact OE2-CE1 3.48Å; E832-Y834 PolarHBondContact OE2-OH 3.1Å | ||
| 835 | S | 83 | Confident | 80.2 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | trans | -131.4 | 141.5 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | V833 S837 D838 | V833-S835 WeakPolarHBondContact CG1-O 3.45Å; S835-S837 PolarHBondContact O-N 3.18Å; S835-S837 WeakPolarHBondContact OG-CB 3.34Å; S835-S837 PolarHBondContact OG-N 3.36Å; S835-S837 PolarHBondContact OG-OG 3.34Å; S835-D838 WeakPolarHBondContact CB-OD2 3.48Å; S835-D838 PolarHBondContact N-OD2 2.94Å; S835-D838 WeakPolarHBondContact O-CB 3.25Å; S835-D838 PolarHBondContact O-N 2.77Å | ||
| 836 | L | 81.2 | Confident | 81.1 | Confident | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -29 | 170.8 | -68.1 | 177.7 | 0 | 0 | 0 | 111.8 | D838 L839 H999 I1002 A1003 L1018 | L836-D838 PolarHBondContact O-N 2.89Å; L836-L839 HydrophobicContact CD2-CD1 3.98Å; L836-L839 WeakPolarHBondContact O-CB 3.42Å; L836-L839 PolarHBondContact O-N 2.85Å; L836-H999 PolarHBondContact O-CD2 3.16Å; L836-I1002 HydrophobicContact CD2-CB 4.22Å; L836-I1002 HydrophobicContact CD2-CG2 3.69Å; L836-A1003 HydrophobicContact CD1-CB 4.13Å; L836-L1018 HydrophobicContact CD2-CD2 4.02Å |
| 837 | S | 79.3 | Confident | 81.5 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -27.5 | 173.7 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | S835 L839 T840 S841 | S835-S837 PolarHBondContact O-N 3.18Å; S835-S837 WeakPolarHBondContact OG-CB 3.34Å; S835-S837 PolarHBondContact OG-N 3.36Å; S835-S837 PolarHBondContact OG-OG 3.34Å; S837-L839 VanDerWaalsContact C-N 3.25Å; S837-L839 PolarHBondContact O-N 3.35Å; S837-T840 PolarHBondContact O-N 3.31Å; S837-T840 VanDerWaalsContact O-N 3.1Å; S837-T840 PolarHBondContact O-OG1 3.44Å; S837-S841 PolarHBondContact O-N 2.98Å |
| 838 | D | 77.4 | Confident | 81.8 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 178.9 | -58.5 | -27.5 | 0 | 0 | 0 | 111.5 | V833 S835 L836 T840 S841 | V833-D838 HydrophobicContact CG1-CB 4.32Å; S835-D838 WeakPolarHBondContact CB-OD2 3.48Å; S835-D838 PolarHBondContact N-OD2 2.94Å; S835-D838 WeakPolarHBondContact O-CB 3.25Å; S835-D838 PolarHBondContact O-N 2.77Å; L836-D838 PolarHBondContact O-N 2.89Å; D838-T840 PolarHBondContact O-N 3.23Å; D838-S841 WeakPolarHBondContact O-CB 3.49Å; D838-S841 PolarHBondContact O-N 3.29Å; D838-S841 VanDerWaalsContact O-N 3.07Å; D838-S841 PolarHBondContact O-OG 2.91Å |
| 839 | L | 75.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -29.7 | 174.9 | -60.7 | 176.9 | 0 | 0 | 0 | 112.5 | V833 L836 S837 L850 L995 L1018 | V833-L839 HydrophobicContact CG1-CD2 3.91Å; V833-L839 HydrophobicContact CG1-CG 4.17Å; V833-L839 HydrophobicContact CG2-CD2 4.36Å; L836-L839 HydrophobicContact CD2-CD1 3.98Å; L836-L839 WeakPolarHBondContact O-CB 3.42Å; L836-L839 PolarHBondContact O-N 2.85Å; S837-L839 VanDerWaalsContact C-N 3.25Å; S837-L839 PolarHBondContact O-N 3.35Å; L839-L850 HydrophobicContact CD1-CD1 4.3Å; L839-L850 HydrophobicContact CD2-CD1 3.98Å; L839-L850 HydrophobicContact CD2-CD2 3.89Å; L839-L995 HydrophobicContact CB-CB 4.46Å; L839-L995 HydrophobicContact CD2-CD2 4.38Å; L839-L995 WeakPolarHBondContact O-CD1 3.45Å; L839-L1018 HydrophobicContact CD1-CD2 3.94Å; L839-L1018 HydrophobicContact CD2-CD2 4.28Å; L839-L1018 HydrophobicContact CG-CD2 4.4Å |
| 840 | T | 71.1 | Confident | 82.1 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -92.1 | -8.3 | 176.6 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | S837 D838 | S837-T840 PolarHBondContact O-N 3.31Å; S837-T840 VanDerWaalsContact O-N 3.1Å; S837-T840 PolarHBondContact O-OG1 3.44Å; D838-T840 PolarHBondContact O-N 3.23Å |
| 841 | S | 67 | Low | 82.3 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -79.7 | 138.1 | 179.5 | 83 | 0 | 0 | 0 | 0 | 110.4 | S837 D838 N843 | S837-S841 PolarHBondContact O-N 2.98Å; D838-S841 WeakPolarHBondContact O-CB 3.49Å; D838-S841 PolarHBondContact O-N 3.29Å; D838-S841 VanDerWaalsContact O-N 3.07Å; D838-S841 PolarHBondContact O-OG 2.91Å; S841-N843 PolarHBondContact O-N 3.36Å |
| 842 | K | 63.1 | Low | 82.4 | Confident | 209 Ų | 209 | 57.7 Ų | 57.7 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.3 | 176 | -75 | -173.3 | 174.8 | -177.2 | 0 | 114.3 | ||
| 843 | N | 64.6 | Low | 82.5 | Confident | 154 Ų | 154 | 55.6 Ų | 55.6 | 82% | 0.824 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.1 | -171.3 | -75.5 | -7.4 | 0 | 0 | 0 | 114.3 | S841 G845 | S841-N843 PolarHBondContact O-N 3.36Å; N843-G845 VanDerWaalsContact C-N 3.3Å; N843-G845 PolarHBondContact O-N 3.07Å |
| 844 | M | 69.2 | Low | 82.5 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.3 | -23.1 | -176.8 | -77.6 | -80.5 | -80.5 | 0 | 0 | 113.3 | V833 V847 A1020 | V833-M844 HydrophobicContact CG2-CE 3.67Å; M844-V847 HydrophobicContact CB-CG2 4.32Å; M844-V847 HydrophobicContact CE-CG2 4.29Å; M844-A1020 HydrophobicContact CE-CB 3.61Å |
| 845 | G | 78.9 | Confident | 82.4 | Confident | 55 Ų | 55 | 49 Ų | 49 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | trans | 71.5 | -150 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N843 | N843-G845 VanDerWaalsContact C-N 3.3Å; N843-G845 PolarHBondContact O-N 3.07Å | ||
| 846 | E | 86.7 | Confident | 82.2 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | trans | -74.2 | 133.2 | 177.9 | -173.5 | 175.9 | -172.5 | 0 | 0 | 111 | Y848 P1023 | E846-Y848 HydrophobicContact CG-CD1 4.31Å; E846-Y848 HydrophobicContact CG-CE1 4.06Å; E846-P1023 HydrophobicContact CB-CG 4.05Å; E846-P1023 WeakPolarHBondContact O-CD 3.48Å | ||
| 847 | V | 91.1 | Very high | 81.8 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | trans | -122.3 | 121.4 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | M844 G849 L850 W994 L995 A1020 V1022 | M844-V847 HydrophobicContact CB-CG2 4.32Å; M844-V847 HydrophobicContact CE-CG2 4.29Å; V847-G849 WeakPolarHBondContact CG1-O 3.38Å; V847-L850 HydrophobicContact CG1-CD2 4.11Å; V847-L850 HydrophobicContact CG1-CG 4.48Å; V847-W994 HydrophobicContact CB-CZ2 4.07Å; V847-W994 HydrophobicContact CG1-CH2 4.44Å; V847-W994 HydrophobicContact CG1-CZ2 3.86Å; V847-W994 WeakPolarHBondContact O-CZ2 3.28Å; V847-W994 PolarHBondContact O-NE1 3.4Å; V847-L995 HydrophobicContact CB-CD1 4.38Å; V847-L995 HydrophobicContact CB-CD2 4.3Å; V847-L995 HydrophobicContact CG1-CD2 4.32Å; V847-L995 HydrophobicContact CG2-CD1 3.99Å; V847-A1020 HydrophobicContact CG1-CB 3.99Å; V847-V1022 HydrophobicContact CG2-CG1 4.16Å | ||
| 848 | Y | 92.9 | Very high | 81 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | trans | -78.9 | -28.2 | 180 | -58.8 | -39.7 | 0 | 0 | 0 | 112.8 | A828 E846 S899 V902 I1021 P1023 | A828-Y848 HydrophobicContact CB-CD2 4.28Å; A828-Y848 HydrophobicContact CB-CE2 4.25Å; E846-Y848 HydrophobicContact CG-CD1 4.31Å; E846-Y848 HydrophobicContact CG-CE1 4.06Å; Y848-S899 WeakPolarHBondContact CE1-OG 3.45Å; Y848-S899 PolarHBondContact OH-OG 3.31Å; Y848-V902 HydrophobicContact CD2-CG2 3.89Å; Y848-V902 HydrophobicContact CE1-CG2 4.36Å; Y848-V902 HydrophobicContact CE2-CG2 3.3Å; Y848-I1021 HydrophobicContact CD2-CG2 4.17Å; Y848-I1021 PolarHBondContact N-O 3.4Å; Y848-P1023 HydrophobicContact CE1-CG 4.23Å; Y848-P1023 HydrophobicContact CE2-CB 4.47Å; Y848-P1023 HydrophobicContact CE2-CG 4.17Å | ||
| 849 | G | 94.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179 | 168.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V847 Y965 I1021 | V847-G849 WeakPolarHBondContact CG1-O 3.38Å; G849-Y965 VanDerWaalsContact CA-O 3.27Å; G849-Y965 WeakPolarHBondContact CA-O 2.95Å; G849-I1021 PolarHBondContact O-N 3Å |
| 850 | L | 96.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142 | 177.5 | -63.9 | 169.3 | 0 | 0 | 0 | 110.3 | V833 L839 V847 T964 Y965 W994 L995 V998 I1002 L1018 M1019 A1020 | V833-L850 HydrophobicContact CG2-CD2 4.47Å; L839-L850 HydrophobicContact CD1-CD1 4.3Å; L839-L850 HydrophobicContact CD2-CD1 3.98Å; L839-L850 HydrophobicContact CD2-CD2 3.89Å; V847-L850 HydrophobicContact CG1-CD2 4.11Å; V847-L850 HydrophobicContact CG1-CG 4.48Å; L850-T964 CarbonylContact O-C 3.43Å; L850-T964 VanDerWaalsContact O-CA 3.28Å; L850-T964 WeakPolarHBondContact O-CA 3.44Å; L850-Y965 HydrophobicContact CB-CD2 4.34Å; L850-Y965 PolarHBondContact N-O 3.19Å; L850-Y965 PolarHBondContact O-N 3.24Å; L850-W994 HydrophobicContact CD1-CH2 4.18Å; L850-W994 HydrophobicContact CD1-CZ3 4.46Å; L850-W994 HydrophobicContact CG-CH2 3.93Å; L850-L995 HydrophobicContact CD1-CD2 3.94Å; L850-L995 HydrophobicContact CG-CD2 4.38Å; L850-V998 HydrophobicContact CD1-CB 4.4Å; L850-V998 HydrophobicContact CD1-CG1 3.79Å; L850-I1002 HydrophobicContact CD1-CD1 4.29Å; L850-L1018 HydrophobicContact CB-CD1 4.09Å; L850-L1018 HydrophobicContact CD2-CD1 4.43Å; L850-M1019 CarbonylContact C-O 3.5Å; L850-M1019 WeakPolarHBondContact CA-O 3.38Å; L850-A1020 HydrophobicContact CD2-CB 3.7Å |
| 851 | I | 96.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.6 | 170.4 | -63.6 | -179.1 | 0 | 0 | 0 | 107.7 | F800 L890 L893 F962 I963 M1019 I1021 | F800-I851 HydrophobicContact CD1-CD1 3.86Å; F800-I851 HydrophobicContact CE1-CD1 3.83Å; F800-I851 HydrophobicContact CE1-CG2 4.38Å; I851-L890 HydrophobicContact CD1-CB 4.19Å; I851-L890 HydrophobicContact CD1-CD1 3.88Å; I851-L893 HydrophobicContact CD1-CD1 4.47Å; I851-L893 HydrophobicContact CG1-CD1 3.93Å; I851-F962 HydrophobicContact CG2-CD1 3.68Å; I851-F962 HydrophobicContact CG2-CE1 4.43Å; I851-I963 CarbonylContact C-O 3.43Å; I851-I963 WeakPolarHBondContact CA-O 3.48Å; I851-M1019 HydrophobicContact CB-CB 4.45Å; I851-M1019 HydrophobicContact CG2-CE 4.11Å; I851-M1019 PolarHBondContact N-O 2.72Å; I851-M1019 PolarHBondContact O-N 2.74Å; I851-I1021 HydrophobicContact CD1-CD1 4.11Å |
| 852 | F | 95.2 | Very high | 76.3 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.7 | -179.3 | -178.2 | -119 | 0 | 0 | 0 | 110.6 | F854 F962 I963 Y965 I1002 K1005 V1006 F1016 N1017 L1018 | F852-F854 HydrophobicContact CD1-CB 4.42Å; F852-F854 AromaticContact CD1-CD1 3.6Å; F852-F854 HydrophobicContact CD1-CD1 3.6Å; F852-F854 HydrophobicContact CD1-CE1 4.32Å; F852-F854 HydrophobicContact CD1-CG 4.35Å; F852-F854 HydrophobicContact CE1-CB 3.74Å; F852-F854 AromaticContact CE1-CD1 3.63Å; F852-F854 HydrophobicContact CE1-CD1 3.63Å; F852-F854 AromaticContact CE1-CG 3.91Å; F852-F854 HydrophobicContact CE1-CG 3.91Å; F852-F854 HydrophobicContact CZ-CB 4.08Å; F852-F962 WeakPolarHBondContact O-CA 3.34Å; F852-I963 HydrophobicContact CB-CG1 4.02Å; F852-I963 HydrophobicContact CD1-CD1 4.12Å; F852-I963 HydrophobicContact CD1-CG1 4.2Å; F852-I963 PolarHBondContact N-O 2.74Å; F852-I963 PolarHBondContact O-N 3.15Å; F852-Y965 HydrophobicContact CB-CE2 3.95Å; F852-I1002 HydrophobicContact CD2-CG2 4.19Å; F852-I1002 HydrophobicContact CE2-CG2 3.92Å; F852-I1002 HydrophobicContact CZ-CG2 4.2Å; F852-K1005 HydrophobicContact CE1-CB 4.47Å; F852-V1006 HydrophobicContact CE2-CG2 4.29Å; F852-V1006 HydrophobicContact CZ-CG2 3.96Å; F852-F1016 HydrophobicContact CE2-CB 4.02Å; F852-F1016 HydrophobicContact CE2-CD1 4.22Å; F852-F1016 HydrophobicContact CE2-CG 4.48Å; F852-F1016 HydrophobicContact CZ-CB 4.33Å; F852-F1016 AromaticContact CZ-CD1 3.66Å; F852-F1016 HydrophobicContact CZ-CD1 3.66Å; F852-F1016 HydrophobicContact CZ-CE1 4.44Å; F852-F1016 HydrophobicContact CZ-CG 4.31Å; F852-N1017 WeakPolarHBondContact CD2-O 3.31Å; F852-L1018 HydrophobicContact CB-CD1 4.06Å; F852-L1018 HydrophobicContact CD2-CB 4.39Å; F852-L1018 HydrophobicContact CD2-CD1 4.1Å |
| 853 | L | 93.8 | Very high | 75.2 | Confident | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.7 | 174.8 | -177.5 | 65.2 | 0 | 0 | 0 | 109.9 | S795 Y960 H961 F962 F1016 N1017 | S795-L853 VanDerWaalsContact CB-CD2 3.41Å; S795-L853 WeakPolarHBondContact OG-CD2 3.12Å; L853-Y960 HydrophobicContact CD2-CD1 4.5Å; L853-Y960 HydrophobicContact CG-CD1 4.24Å; L853-H961 WeakPolarHBondContact CA-O 3.29Å; L853-H961 WeakPolarHBondContact CD1-O 3.33Å; L853-F962 HydrophobicContact CB-CD1 3.94Å; L853-F962 HydrophobicContact CB-CE1 3.81Å; L853-F962 HydrophobicContact CB-CZ 4.44Å; L853-F962 HydrophobicContact CD1-CD1 3.8Å; L853-F962 HydrophobicContact CD1-CD2 3.71Å; L853-F962 HydrophobicContact CD1-CE1 3.77Å; L853-F962 HydrophobicContact CD1-CE2 3.66Å; L853-F962 HydrophobicContact CD1-CG 3.79Å; L853-F962 HydrophobicContact CD1-CZ 3.71Å; L853-F962 HydrophobicContact CD2-CE1 3.96Å; L853-F962 HydrophobicContact CD2-CE2 4.43Å; L853-F962 HydrophobicContact CD2-CZ 3.8Å; L853-F962 HydrophobicContact CG-CD1 4.37Å; L853-F962 HydrophobicContact CG-CE1 4.06Å; L853-F962 HydrophobicContact CG-CZ 4.2Å; L853-F1016 WeakPolarHBondContact O-CA 3.21Å; L853-N1017 HydrophobicContact CB-CB 4.18Å; L853-N1017 PolarHBondContact N-O 3.32Å; L853-N1017 PolarHBondContact O-N 2.78Å; L853-N1017 VanDerWaalsContact O-N 3.08Å |
| 854 | F | 89.4 | Confident | 74.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.2 | 175.1 | 63.9 | -77.9 | 0 | 0 | 0 | 110.7 | F852 W856 Y960 H961 I963 Y1009 F1016 | F852-F854 HydrophobicContact CD1-CB 4.42Å; F852-F854 AromaticContact CD1-CD1 3.6Å; F852-F854 HydrophobicContact CD1-CD1 3.6Å; F852-F854 HydrophobicContact CD1-CE1 4.32Å; F852-F854 HydrophobicContact CD1-CG 4.35Å; F852-F854 HydrophobicContact CE1-CB 3.74Å; F852-F854 AromaticContact CE1-CD1 3.63Å; F852-F854 HydrophobicContact CE1-CD1 3.63Å; F852-F854 AromaticContact CE1-CG 3.91Å; F852-F854 HydrophobicContact CE1-CG 3.91Å; F852-F854 HydrophobicContact CZ-CB 4.08Å; F854-W856 PolarHBondContact O-N 2.87Å; F854-Y960 WeakPolarHBondContact O-CA 3.48Å; F854-H961 PolarHBondContact N-O 2.67Å; F854-H961 PolarHBondContact O-N 3.39Å; F854-I963 HydrophobicContact CE1-CD1 3.83Å; F854-I963 HydrophobicContact CE1-CG1 3.97Å; F854-I963 HydrophobicContact CE1-CG2 3.87Å; F854-I963 HydrophobicContact CZ-CG2 4.41Å; F854-Y1009 HydrophobicContact CD2-CE2 4.13Å; F854-Y1009 HydrophobicContact CE2-CE2 4.43Å; F854-F1016 HydrophobicContact CB-CD1 3.85Å; F854-F1016 HydrophobicContact CB-CE1 4.08Å |
| 855 | K | 84.6 | Confident | 72.8 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.8 | 173.7 | -177.3 | 171.4 | 168.5 | 174.4 | 0 | 110 | D958 A959 Y960 E1013 | K855-D958 HydrophobicContact CD-CB 4.12Å; K855-D958 WeakPolarHBondContact CE-OD1 3.49Å; K855-D958 HydrophobicContact CG-CB 4.47Å; K855-D958 IonicContact NZ-OD1 2.9Å; K855-D958 PolarHBondContact NZ-OD1 3.12Å; K855-D958 IonicContact NZ-OD2 3.55Å; K855-A959 CarbonylContact C-O 3.55Å; K855-Y960 HydrophobicContact CB-CD1 4.22Å; K855-Y960 HydrophobicContact CB-CE1 3.94Å; K855-E1013 HydrophobicContact CB-CG 4.11Å; K855-E1013 HydrophobicContact CD-CG 4.32Å; K855-E1013 VanDerWaalsContact CD-OE2 3.26Å; K855-E1013 WeakPolarHBondContact CD-OE2 3.29Å; K855-E1013 IonicContact NZ-OE2 3Å |
| 856 | W | 77.9 | Confident | 71 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 39% | 0.386 | 34% | 0.335 | S | S | . | . | trans | -79 | 134 | 178.5 | -177.2 | 81.4 | 0 | 0 | 0 | 111.1 | F854 P858 A959 H961 L978 | F854-W856 PolarHBondContact O-N 2.87Å; W856-P858 HydrophobicContact CH2-CB 3.78Å; W856-P858 HydrophobicContact CZ2-CB 4.38Å; W856-P858 HydrophobicContact CZ3-CB 4.08Å; W856-P858 HydrophobicContact CZ3-CG 4.49Å; W856-A959 HydrophobicContact CB-CB 4.46Å; W856-A959 HydrophobicContact CE3-CB 4.27Å; W856-A959 PolarHBondContact N-O 3.39Å; W856-H961 HydrophobicContact CB-CB 3.95Å; W856-H961 HydrophobicContact CG-CB 4.45Å; W856-L978 HydrophobicContact CG-CD1 4.44Å; W856-L978 VanDerWaalsContact NE1-CD1 3.35Å | ||
| 857 | Q | 71.9 | Confident | 68.9 | Low | 53 Ų | 53 | 55.9 Ų | 55.9 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | trans | -125.4 | 128.8 | 176 | -69.1 | -176.7 | -22.8 | 0 | 0 | 109.5 | D859 T860 E1012 | Q857-D859 VanDerWaalsContact C-N 3.28Å; Q857-D859 PolarHBondContact O-N 2.98Å; Q857-T860 PolarHBondContact O-OG1 3.31Å; Q857-T860 VanDerWaalsContact O-OG1 3.11Å; Q857-E1012 PolarHBondContact NE2-OE2 3.17Å; Q857-E1012 VanDerWaalsContact NE2-OE2 3.11Å | ||
| 858 | P | 63.4 | Low | 66.4 | Low | 102 Ų | 102 | 59.3 Ų | 59.3 | 66% | 0.662 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.3 | -172.1 | 19.8 | -30.4 | 0 | 0 | 0 | 114.7 | W856 | W856-P858 HydrophobicContact CH2-CB 3.78Å; W856-P858 HydrophobicContact CZ2-CB 4.38Å; W856-P858 HydrophobicContact CZ3-CB 4.08Å; W856-P858 HydrophobicContact CZ3-CG 4.49Å |
| 859 | D | 54.6 | Low | 64.1 | Low | 164 Ų | 164 | 66.7 Ų | 66.7 | 88% | 0.877 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.1 | -170.3 | -93.4 | -15.3 | 0 | 0 | 0 | 115.6 | Q857 | Q857-D859 VanDerWaalsContact C-N 3.28Å; Q857-D859 PolarHBondContact O-N 2.98Å |
| 860 | T | 49.1 | Very low | 62 | Low | 39 Ų | 39 | 68.3 Ų | 68.3 | 24% | 0.239 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -111 | 1.1 | -160 | 50.4 | 0 | 0 | 0 | 0 | 117.9 | Q857 K1008 Y1009 | Q857-T860 PolarHBondContact O-OG1 3.31Å; Q857-T860 VanDerWaalsContact O-OG1 3.11Å; T860-K1008 PolarHBondContact O-NZ 3.1Å; T860-K1008 VanDerWaalsContact O-NZ 3.09Å; T860-Y1009 HydrophobicContact CG2-CE1 4.42Å; T860-Y1009 PolarHBondContact OG1-OH 3.34Å |
| 861 | Q | 46.8 | Very low | 60.1 | Low | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 44% | 0.439 | S | S | . | . | trans | -121 | 93.4 | 170.9 | -68.4 | -168.1 | 12.2 | 0 | 0 | 110.9 | I863 D976 | Q861-I863 PolarHBondContact O-N 3.38Å; Q861-D976 PolarHBondContact NE2-OD2 3.25Å | ||
| 862 | G | 42.3 | Very low | 58.4 | Low | 69 Ų | 69 | 74.2 Ų | 74.2 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | trans | -59 | 130.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P864 | G862-P864 WeakPolarHBondContact O-CD 3.48Š| ||
| 863 | I | 40 | Very low | 57.7 | Low | 154 Ų | 154 | 79.5 Ų | 79.5 | 79% | 0.79 | 51% | 0.512 | S | S | * | . | trans | -45.8 | 111.8 | 176 | -61.2 | 160 | 0 | 0 | 0 | 107.4 | Q861 | Q861-I863 PolarHBondContact O-N 3.38Š| ||
| 864 | P | 42.8 | Very low | 57.5 | Low | 62 Ų | 62 | 79 Ų | 79 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | trans | -57.1 | 133.8 | 174.3 | -20.4 | 31.4 | 0 | 0 | 0 | 107.4 | G862 A866 V983 | G862-P864 WeakPolarHBondContact O-CD 3.48Å; P864-A866 PolarHBondContact O-N 3.5Å; P864-V983 HydrophobicContact CG-CG2 4.3Å | ||
| 865 | P | 40.4 | Very low | 57.6 | Low | 122 Ų | 122 | 79.5 Ų | 79.5 | 79% | 0.792 | 51% | 0.511 | S | S | * | . | trans | -54.9 | 130.3 | 178.3 | 21.4 | -30.5 | 0 | 0 | 0 | 108.6 | G867 | P865-G867 PolarHBondContact O-N 2.97Š| ||
| 866 | A | 41 | Very low | 58 | Low | 72 Ų | 72 | 77 Ų | 77 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | trans | -44.7 | 107.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P864 A868 | P864-A866 PolarHBondContact O-N 3.5Å; A866-A868 PolarHBondContact O-N 3.2Å | ||
| 867 | G | 41.9 | Very low | 58.6 | Low | 59 Ų | 59 | 72.2 Ų | 72.2 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | trans | -73.2 | 83.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P865 N869 | P865-G867 PolarHBondContact O-N 2.97Å; G867-N869 PolarHBondContact O-N 3.04Å | ||
| 868 | A | 39.1 | Very low | 59.4 | Low | 81 Ų | 81 | 71.5 Ų | 71.5 | 67% | 0.669 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 126.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A866 | A866-A868 PolarHBondContact O-N 3.2Š|
| 869 | N | 45.3 | Very low | 60.5 | Low | 170 Ų | 170 | 68 Ų | 68 | 91% | 0.909 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.9 | 8.5 | 156.7 | -54.1 | -26.4 | 0 | 0 | 0 | 120.3 | G867 | G867-N869 PolarHBondContact O-N 3.04Š|
| 870 | G | 50 | Low | 61.8 | Low | 34 Ų | 34 | 62.4 Ų | 62.4 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -124 | -29.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | G872 | G870-G872 VanDerWaalsContact C-N 3.32Å; G870-G872 PolarHBondContact O-N 3.44Å |
| 871 | A | 55.8 | Low | 63.2 | Low | 34 Ų | 34 | 61.1 Ų | 61.1 | 28% | 0.281 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -81.6 | -0.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D873 V874 P982 | A871-D873 PolarHBondContact O-N 3.02Å; A871-V874 PolarHBondContact O-N 3.43Å; A871-P982 HydrophobicContact CB-CB 4.44Å; A871-P982 HydrophobicContact CB-CG 4.36Å |
| 872 | G | 62 | Low | 64.9 | Low | 90 Ų | 90 | 64.8 Ų | 64.8 | 93% | 0.928 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -57.6 | -28.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G870 | G870-G872 VanDerWaalsContact C-N 3.32Å; G870-G872 PolarHBondContact O-N 3.44Å |
| 873 | D | 79.2 | Confident | 67 | Low | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -101.7 | -1 | 178.6 | -167.3 | 46.4 | 0 | 0 | 0 | 113.7 | A871 K968 | A871-D873 PolarHBondContact O-N 3.02Å; D873-K968 WeakPolarHBondContact O-CE 3.37Å; D873-K968 WeakPolarHBondContact OD2-CE 3.34Å; D873-K968 IonicContact OD2-NZ 2.67Å; D873-K968 PolarHBondContact OD2-NZ 3.45Å |
| 874 | V | 90 | Very high | 69.2 | Low | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | trans | -86.1 | 117.4 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 109 | A871 F876 K968 F973 L975 P982 | A871-V874 PolarHBondContact O-N 3.43Å; V874-F876 PolarHBondContact O-N 2.92Å; V874-K968 HydrophobicContact CG2-CB 4.42Å; V874-K968 HydrophobicContact CG2-CG 4.09Å; V874-F973 HydrophobicContact CG2-CD1 4.21Å; V874-F973 HydrophobicContact CG2-CD2 3.76Å; V874-F973 HydrophobicContact CG2-CE1 4.12Å; V874-F973 HydrophobicContact CG2-CE2 3.64Å; V874-F973 HydrophobicContact CG2-CG 4.04Å; V874-F973 HydrophobicContact CG2-CZ 3.83Å; V874-L975 HydrophobicContact CG1-CD1 4.46Å; V874-L975 HydrophobicContact CG1-CD2 3.79Å; V874-P982 HydrophobicContact CG1-CB 4.41Å; V874-P982 HydrophobicContact CG1-CG 4.17Å | ||
| 875 | Y | 91.9 | Very high | 71.6 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | trans | -70.6 | 125.6 | 172.3 | -172.8 | -80.3 | 0 | 0 | 0 | 109.6 | A877 L895 N896 F911 K912 T915 | Y875-A877 HydrophobicContact CE1-CB 4.44Å; Y875-L895 HydrophobicContact CD1-CB 3.78Å; Y875-L895 HydrophobicContact CD1-CD1 3.63Å; Y875-L895 HydrophobicContact CD1-CG 4.35Å; Y875-L895 HydrophobicContact CD2-CD1 4.49Å; Y875-L895 HydrophobicContact CE1-CB 4.34Å; Y875-L895 HydrophobicContact CE1-CD1 3.29Å; Y875-L895 HydrophobicContact CE1-CG 4.43Å; Y875-L895 HydrophobicContact CE2-CD1 4.18Å; Y875-L895 HydrophobicContact CG-CB 3.99Å; Y875-L895 HydrophobicContact CG-CD1 4.24Å; Y875-N896 PolarHBondContact N-OD1 2.84Å; Y875-N896 PolarHBondContact O-ND2 3.2Å; Y875-F911 VanDerWaalsContact OH-CE1 3.3Å; Y875-F911 WeakPolarHBondContact OH-CE1 3.39Å; Y875-K912 HydrophobicContact CD2-CG 4.26Å; Y875-K912 HydrophobicContact CE2-CG 4.24Å; Y875-T915 PolarHBondContact OH-OG1 2.94Å | ||
| 876 | F | 93.6 | Very high | 74.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | trans | -145.3 | 129.9 | -179.3 | 178.1 | -114 | 0 | 0 | 0 | 110.7 | V874 L878 P920 R923 L975 D976 A979 P982 | V874-F876 PolarHBondContact O-N 2.92Å; F876-L878 HydrophobicContact CE1-CB 4.49Å; F876-P920 HydrophobicContact CD1-CB 3.61Å; F876-P920 HydrophobicContact CD1-CG 3.88Å; F876-P920 HydrophobicContact CE1-CB 3.98Å; F876-R923 WeakPolarHBondContact O-CD 3.33Å; F876-R923 PolarHBondContact O-NH1 3.18Å; F876-R923 VanDerWaalsContact O-NH1 3.12Å; F876-L975 HydrophobicContact CD2-CB 4.11Å; F876-L975 HydrophobicContact CD2-CD2 4.06Å; F876-L975 HydrophobicContact CE2-CB 4.25Å; F876-D976 WeakPolarHBondContact CE2-O 3.4Å; F876-D976 WeakPolarHBondContact CZ-O 3.41Å; F876-A979 WeakPolarHBondContact CZ-O 3.47Å; F876-P982 HydrophobicContact CB-CG 3.65Å; F876-P982 HydrophobicContact CD1-CG 4Å; F876-P982 HydrophobicContact CD2-CG 4.25Å; F876-P982 HydrophobicContact CG-CG 3.71Å | ||
| 877 | A | 90.2 | Very high | 76.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -116.6 | 136.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y875 Q888 N892 R923 | Y875-A877 HydrophobicContact CE1-CB 4.44Å; A877-Q888 PolarHBondContact O-NE2 3.41Å; A877-N892 PolarHBondContact N-OD1 2.89Å; A877-N892 PolarHBondContact O-ND2 3.12Å; A877-R923 HydrophobicContact CB-CB 3.68Å | ||
| 878 | L | 88 | Confident | 78.8 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | trans | -90.5 | 151.9 | -179.5 | -175.6 | 147.2 | 0 | 0 | 0 | 111.6 | F876 V880 Q888 P920 G924 A979 | F876-L878 HydrophobicContact CE1-CB 4.49Å; L878-V880 HydrophobicContact CD2-CG1 4.16Å; L878-Q888 PolarHBondContact O-NE2 2.85Å; L878-P920 HydrophobicContact CB-CB 4.26Å; L878-P920 PolarHBondContact N-O 2.69Å; L878-G924 WeakPolarHBondContact O-CA 2.91Å; L878-A979 WeakPolarHBondContact CD1-O 3.17Å | ||
| 879 | Q | 87.4 | Confident | 81.5 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | trans | -87.4 | 117.5 | -175.7 | -170.9 | 173.3 | -33.1 | 0 | 0 | 110.4 | V881 C885 Q888 G977 L978 | Q879-V881 WeakPolarHBondContact CG-O 3.2Å; Q879-V881 PolarHBondContact NE2-O 2.98Å; Q879-C885 VanDerWaalsContact OE1-CA 3.27Å; Q879-Q888 VanDerWaalsContact CG-OE1 3.3Å; Q879-G977 VanDerWaalsContact CB-O 3.24Å; Q879-G977 WeakPolarHBondContact CB-O 3.35Å; Q879-G977 PolarHBondContact N-O 3.28Å; Q879-L978 HydrophobicContact CB-CD2 4.39Å | ||
| 880 | V | 80.3 | Confident | 83.8 | Confident | 48 Ų | 48 | 30.7 Ų | 30.7 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | trans | -107.4 | -14.9 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | L878 G924 L925 T928 | L878-V880 HydrophobicContact CD2-CG1 4.16Å; V880-G924 WeakPolarHBondContact CG2-O 3.45Å; V880-L925 HydrophobicContact CB-CD1 4.27Å; V880-L925 HydrophobicContact CG1-CD1 4.28Å; V880-L925 HydrophobicContact CG2-CD1 4.04Å; V880-T928 HydrophobicContact CG2-CG2 4.4Å; V880-T928 WeakPolarHBondContact CG2-OG1 3.45Å | ||
| 881 | V | 79.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -128 | 156.3 | 177.4 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | W790 Q879 A884 T928 | W790-V881 HydrophobicContact CD2-CG2 4.49Å; W790-V881 HydrophobicContact CG-CG2 4.31Å; Q879-V881 WeakPolarHBondContact CG-O 3.2Å; Q879-V881 PolarHBondContact NE2-O 2.98Å; V881-A884 HydrophobicContact CG2-CB 3.68Å; V881-T928 HydrophobicContact CB-CG2 4.2Å; V881-T928 HydrophobicContact CG1-CG2 3.46Å; V881-T928 VanDerWaalsContact CG1-CG2 3.46Å; V881-T928 HydrophobicContact CG2-CG2 3.68Å |
| 882 | Q | 81.8 | Confident | 87.7 | Confident | 148 Ų | 148 | 27.5 Ų | 27.5 | 69% | 0.692 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | 156.2 | 175.3 | -66.3 | -177.8 | -11.7 | 0 | 0 | 111.1 | A884 | Q882-A884 PolarHBondContact O-N 3.23Š|
| 883 | N | 86.5 | Confident | 89.3 | Confident | 54 Ų | 54 | 23.2 Ų | 23.2 | 29% | 0.289 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -8.5 | 176.4 | -52.3 | -21.5 | 0 | 0 | 0 | 117.4 | W790 L792 C885 H937 | W790-N883 HydrophobicContact CB-CB 4.14Å; W790-N883 VanDerWaalsContact O-CB 3.3Å; W790-N883 WeakPolarHBondContact O-CB 3.42Å; W790-N883 PolarHBondContact O-ND2 2.99Å; L792-N883 HydrophobicContact CD2-CB 4.09Å; L792-N883 VanDerWaalsContact CD2-OD1 3.23Å; L792-N883 WeakPolarHBondContact CD2-OD1 3.4Å; N883-C885 VanDerWaalsContact C-N 3.26Å; N883-C885 PolarHBondContact O-N 3.47Å; N883-H937 PolarHBondContact O-CE1 3.44Å; N883-H937 VanDerWaalsContact O-CE1 3.28Å |
| 884 | A | 87.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | W790 V881 Q882 A886 S887 Q888 | W790-A884 HydrophobicContact CD2-CB 3.83Å; W790-A884 HydrophobicContact CE3-CB 3.58Å; W790-A884 HydrophobicContact CG-CB 4.33Å; W790-A884 HydrophobicContact CZ3-CB 3.98Å; V881-A884 HydrophobicContact CG2-CB 3.68Å; Q882-A884 PolarHBondContact O-N 3.23Å; A884-A886 VanDerWaalsContact C-N 3.27Å; A884-A886 PolarHBondContact O-N 3.08Å; A884-A886 VanDerWaalsContact O-N 3.14Å; A884-S887 PolarHBondContact O-N 3.29Å; A884-S887 VanDerWaalsContact O-N 3.14Å; A884-Q888 PolarHBondContact O-N 3.21Å; A884-Q888 VanDerWaalsContact O-N 3.08Å |
| 885 | C | 92.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -50.5 | -40.7 | -173.9 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | Q879 N883 Q888 A889 F962 | Q879-C885 VanDerWaalsContact OE1-CA 3.27Å; N883-C885 VanDerWaalsContact C-N 3.26Å; N883-C885 PolarHBondContact O-N 3.47Å; C885-Q888 PolarHBondContact O-N 3.32Å; C885-A889 VanDerWaalsContact O-CB 3.26Å; C885-A889 WeakPolarHBondContact O-CB 3.48Å; C885-A889 PolarHBondContact O-N 3.45Å; C885-F962 HydrophobicContact CB-CB 4.31Å; C885-F962 HydrophobicContact CB-CD2 4.43Å |
| 886 | A | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I793 F800 A884 Q888 L890 F962 | I793-A886 HydrophobicContact CB-CB 3.58Å; I793-A886 HydrophobicContact CG1-CB 3.89Å; I793-A886 HydrophobicContact CG2-CB 3.84Å; F800-A886 HydrophobicContact CE1-CB 4.35Å; F800-A886 HydrophobicContact CZ-CB 3.8Å; A884-A886 VanDerWaalsContact C-N 3.27Å; A884-A886 PolarHBondContact O-N 3.08Å; A884-A886 VanDerWaalsContact O-N 3.14Å; A886-Q888 VanDerWaalsContact C-N 3.29Å; A886-Q888 PolarHBondContact O-N 3.44Å; A886-L890 WeakPolarHBondContact O-CB 3.33Å; A886-L890 PolarHBondContact O-N 3.19Å; A886-L890 VanDerWaalsContact O-N 3.11Å; A886-F962 HydrophobicContact CB-CD2 3.8Å; A886-F962 HydrophobicContact CB-CE2 3.84Å; A886-F962 HydrophobicContact CB-CG 4.38Å; A886-F962 HydrophobicContact CB-CZ 4.44Å |
| 887 | S | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.3 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | M803 F807 A884 L890 I891 H937 | M803-S887 VanDerWaalsContact CE-OG 3.29Å; M803-S887 WeakPolarHBondContact CE-OG 3.43Å; F807-S887 WeakPolarHBondContact CZ-OG 3.18Å; A884-S887 PolarHBondContact O-N 3.29Å; A884-S887 VanDerWaalsContact O-N 3.14Å; S887-L890 PolarHBondContact O-N 3.08Å; S887-I891 WeakPolarHBondContact O-CB 3.22Å; S887-I891 WeakPolarHBondContact O-CD1 3.38Å; S887-I891 VanDerWaalsContact O-CG1 3.23Å; S887-I891 WeakPolarHBondContact O-CG1 3.47Å; S887-I891 PolarHBondContact O-N 2.9Å; S887-H937 WeakPolarHBondContact OG-CB 3.48Å; S887-H937 PolarHBondContact OG-ND1 3.38Å |
| 888 | Q | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.8 | -45.2 | -177.3 | -174.4 | 179.4 | -30.8 | 0 | 0 | 112.4 | A877 L878 Q879 A884 C885 A886 L890 I891 N892 L927 | A877-Q888 PolarHBondContact O-NE2 3.41Å; L878-Q888 PolarHBondContact O-NE2 2.85Å; Q879-Q888 VanDerWaalsContact CG-OE1 3.3Å; A884-Q888 PolarHBondContact O-N 3.21Å; A884-Q888 VanDerWaalsContact O-N 3.08Å; C885-Q888 PolarHBondContact O-N 3.32Å; A886-Q888 VanDerWaalsContact C-N 3.29Å; A886-Q888 PolarHBondContact O-N 3.44Å; Q888-L890 VanDerWaalsContact C-N 3.26Å; Q888-L890 PolarHBondContact O-N 3.25Å; Q888-I891 PolarHBondContact O-N 2.88Å; Q888-N892 VanDerWaalsContact O-CB 3.26Å; Q888-N892 WeakPolarHBondContact O-CB 3.37Å; Q888-N892 PolarHBondContact O-N 3.09Å; Q888-L927 HydrophobicContact CB-CD1 4.4Å; Q888-L927 HydrophobicContact CG-CD1 4.37Å |
| 889 | A | 94.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56 | -45.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | C885 L893 F962 T964 | C885-A889 VanDerWaalsContact O-CB 3.26Å; C885-A889 WeakPolarHBondContact O-CB 3.48Å; C885-A889 PolarHBondContact O-N 3.45Å; A889-L893 PolarHBondContact O-N 3.21Å; A889-L893 VanDerWaalsContact O-N 3.09Å; A889-F962 HydrophobicContact CB-CB 3.86Å; A889-T964 WeakPolarHBondContact CA-OG1 3.31Å; A889-T964 WeakPolarHBondContact CB-OG1 3.47Å; A889-T964 PolarHBondContact O-OG1 3.31Å |
| 890 | L | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 178.6 | -176 | 56.7 | 0 | 0 | 0 | 112.7 | F800 M803 I804 F807 I851 A886 S887 Q888 L893 L894 I1021 | F800-L890 HydrophobicContact CD1-CB 4.44Å; F800-L890 HydrophobicContact CD1-CD1 4.42Å; F800-L890 HydrophobicContact CD1-CD2 4.02Å; F800-L890 HydrophobicContact CE1-CB 4.47Å; M803-L890 HydrophobicContact CB-CD2 3.9Å; I804-L890 HydrophobicContact CD1-CD1 4.06Å; I804-L890 HydrophobicContact CG1-CD1 3.77Å; I804-L890 HydrophobicContact CG1-CD2 3.86Å; I804-L890 HydrophobicContact CG1-CG 4.24Å; F807-L890 HydrophobicContact CD2-CD2 4.19Å; F807-L890 HydrophobicContact CE2-CD2 3.73Å; F807-L890 HydrophobicContact CE2-CG 4.21Å; I851-L890 HydrophobicContact CD1-CB 4.19Å; I851-L890 HydrophobicContact CD1-CD1 3.88Å; A886-L890 WeakPolarHBondContact O-CB 3.33Å; A886-L890 PolarHBondContact O-N 3.19Å; A886-L890 VanDerWaalsContact O-N 3.11Å; S887-L890 PolarHBondContact O-N 3.08Å; Q888-L890 VanDerWaalsContact C-N 3.26Å; Q888-L890 PolarHBondContact O-N 3.25Å; L890-L893 WeakPolarHBondContact O-CB 3.3Å; L890-L893 PolarHBondContact O-N 3.46Å; L890-L894 HydrophobicContact CD1-CD1 4.25Å; L890-L894 HydrophobicContact CD1-CG 4.28Å; L890-L894 HydrophobicContact CG-CD1 4.14Å; L890-L894 WeakPolarHBondContact O-CG 3.32Å; L890-L894 PolarHBondContact O-N 3.15Å; L890-I1021 HydrophobicContact CD1-CD1 3.39Å |
| 891 | I | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | 179.6 | -71.6 | 166.1 | 0 | 0 | 0 | 111.3 | F807 S887 Q888 L893 L894 L895 L908 L927 I933 | F807-I891 HydrophobicContact CD2-CD1 4.39Å; F807-I891 HydrophobicContact CD2-CG1 4.04Å; F807-I891 HydrophobicContact CE2-CD1 4.08Å; F807-I891 HydrophobicContact CE2-CG1 3.9Å; F807-I891 HydrophobicContact CZ-CD1 4.23Å; S887-I891 WeakPolarHBondContact O-CB 3.22Å; S887-I891 WeakPolarHBondContact O-CD1 3.38Å; S887-I891 VanDerWaalsContact O-CG1 3.23Å; S887-I891 WeakPolarHBondContact O-CG1 3.47Å; S887-I891 PolarHBondContact O-N 2.9Å; Q888-I891 PolarHBondContact O-N 2.88Å; I891-L893 PolarHBondContact O-N 3.26Å; I891-L894 PolarHBondContact O-N 2.91Å; I891-L895 HydrophobicContact CG2-CD1 3.61Å; I891-L895 HydrophobicContact CG2-CG 3.99Å; I891-L895 WeakPolarHBondContact O-CB 3.47Å; I891-L895 VanDerWaalsContact O-CG 3.31Å; I891-L895 WeakPolarHBondContact O-CG 3.14Å; I891-L895 PolarHBondContact O-N 3.43Å; I891-L908 HydrophobicContact CD1-CD2 4.37Å; I891-L908 HydrophobicContact CG1-CD2 4.12Å; I891-L908 HydrophobicContact CG2-CD2 4.47Å; I891-L927 HydrophobicContact CB-CD1 4.3Å; I891-L927 HydrophobicContact CD1-CD1 3.79Å; I891-L927 HydrophobicContact CD1-CG 4.23Å; I891-L927 HydrophobicContact CG2-CD1 4.2Å; I891-I933 HydrophobicContact CD1-CD1 3.8Å; I891-I933 HydrophobicContact CD1-CG1 4.17Å; I891-I933 HydrophobicContact CD1-CG2 3.69Å |
| 892 | N | 94.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -36.2 | 174.1 | -82.1 | -19.2 | 0 | 0 | 0 | 111.4 | A877 Q888 N896 L975 | A877-N892 PolarHBondContact N-OD1 2.89Å; A877-N892 PolarHBondContact O-ND2 3.12Å; Q888-N892 VanDerWaalsContact O-CB 3.26Å; Q888-N892 WeakPolarHBondContact O-CB 3.37Å; Q888-N892 PolarHBondContact O-N 3.09Å; N892-N896 PolarHBondContact O-ND2 3.45Å; N892-L975 HydrophobicContact CB-CB 4.46Å; N892-L975 HydrophobicContact CB-CD1 3.95Å |
| 893 | L | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.8 | -57.1 | 173.8 | -163.3 | 161.9 | 0 | 0 | 0 | 111.3 | I851 A889 L890 I891 L895 N896 C897 T964 V966 I1021 | I851-L893 HydrophobicContact CD1-CD1 4.47Å; I851-L893 HydrophobicContact CG1-CD1 3.93Å; A889-L893 PolarHBondContact O-N 3.21Å; A889-L893 VanDerWaalsContact O-N 3.09Å; L890-L893 WeakPolarHBondContact O-CB 3.3Å; L890-L893 PolarHBondContact O-N 3.46Å; I891-L893 PolarHBondContact O-N 3.26Å; L893-L895 VanDerWaalsContact C-N 3.3Å; L893-L895 PolarHBondContact O-N 3.36Å; L893-N896 PolarHBondContact O-N 3.13Å; L893-C897 PolarHBondContact O-N 3.18Å; L893-T964 HydrophobicContact CB-CG2 3.54Å; L893-T964 HydrophobicContact CD1-CG2 3.97Å; L893-T964 HydrophobicContact CG-CG2 3.86Å; L893-V966 HydrophobicContact CB-CG1 4.33Å; L893-V966 HydrophobicContact CG-CG1 3.84Å; L893-I1021 HydrophobicContact CB-CD1 4.39Å; L893-I1021 HydrophobicContact CD1-CB 4.28Å; L893-I1021 HydrophobicContact CD1-CD1 3.37Å; L893-I1021 HydrophobicContact CD1-CG1 3.67Å; L893-I1021 HydrophobicContact CD2-CB 4.26Å; L893-I1021 HydrophobicContact CD2-CD1 3.72Å; L893-I1021 HydrophobicContact CD2-CG1 4.32Å; L893-I1021 HydrophobicContact CG-CD1 3.99Å |
| 894 | L | 93.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -37.8 | -173.5 | -69.5 | 174.6 | 0 | 0 | 0 | 112.8 | I804 L890 I891 N896 C897 L908 | I804-L894 HydrophobicContact CG1-CD1 4.26Å; L890-L894 HydrophobicContact CD1-CD1 4.25Å; L890-L894 HydrophobicContact CD1-CG 4.28Å; L890-L894 HydrophobicContact CG-CD1 4.14Å; L890-L894 WeakPolarHBondContact O-CG 3.32Å; L890-L894 PolarHBondContact O-N 3.15Å; I891-L894 PolarHBondContact O-N 2.91Å; L894-N896 PolarHBondContact O-N 3.36Å; L894-C897 WeakPolarHBondContact O-CB 3.36Å; L894-C897 PolarHBondContact O-N 3.48Å; L894-L908 HydrophobicContact CB-CD1 4.46Å; L894-L908 HydrophobicContact CD1-CD1 3.93Å |
| 895 | L | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.3 | -179.8 | -63.2 | -175.2 | 0 | 0 | 0 | 113.5 | Y875 I891 L893 I904 L908 F911 K912 | Y875-L895 HydrophobicContact CD1-CB 3.78Å; Y875-L895 HydrophobicContact CD1-CD1 3.63Å; Y875-L895 HydrophobicContact CD1-CG 4.35Å; Y875-L895 HydrophobicContact CD2-CD1 4.49Å; Y875-L895 HydrophobicContact CE1-CB 4.34Å; Y875-L895 HydrophobicContact CE1-CD1 3.29Å; Y875-L895 HydrophobicContact CE1-CG 4.43Å; Y875-L895 HydrophobicContact CE2-CD1 4.18Å; Y875-L895 HydrophobicContact CG-CB 3.99Å; Y875-L895 HydrophobicContact CG-CD1 4.24Å; I891-L895 HydrophobicContact CG2-CD1 3.61Å; I891-L895 HydrophobicContact CG2-CG 3.99Å; I891-L895 WeakPolarHBondContact O-CB 3.47Å; I891-L895 VanDerWaalsContact O-CG 3.31Å; I891-L895 WeakPolarHBondContact O-CG 3.14Å; I891-L895 PolarHBondContact O-N 3.43Å; L893-L895 VanDerWaalsContact C-N 3.3Å; L893-L895 PolarHBondContact O-N 3.36Å; L895-I904 HydrophobicContact CD2-CD1 3.99Å; L895-L908 HydrophobicContact CD2-CB 4.08Å; L895-F911 HydrophobicContact CD1-CD1 4.35Å; L895-K912 HydrophobicContact CB-CD 4.48Å; L895-K912 HydrophobicContact CD1-CB 4.4Å; L895-K912 HydrophobicContact CD2-CB 4.05Å; L895-K912 HydrophobicContact CD2-CD 4.12Å; L895-K912 HydrophobicContact CD2-CG 4.46Å; L895-K912 PolarHBondContact O-NZ 2.83Å |
| 896 | N | 93.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -8.6 | 172.1 | -75.1 | -56.5 | 0 | 0 | 0 | 114.1 | Y875 N892 L893 L894 E898 V966 L975 | Y875-N896 PolarHBondContact N-OD1 2.84Å; Y875-N896 PolarHBondContact O-ND2 3.2Å; N892-N896 PolarHBondContact O-ND2 3.45Å; L893-N896 PolarHBondContact O-N 3.13Å; L894-N896 PolarHBondContact O-N 3.36Å; N896-E898 PolarHBondContact O-N 2.84Å; N896-V966 HydrophobicContact CB-CB 4.49Å; N896-V966 HydrophobicContact CB-CG1 4.35Å; N896-V966 HydrophobicContact CB-CG2 4.3Å; N896-L975 WeakPolarHBondContact ND2-CD1 3.44Å |
| 897 | C | 90.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | trans | -62.7 | 124.5 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 111 | L893 L894 | L893-C897 PolarHBondContact O-N 3.18Å; L894-C897 WeakPolarHBondContact O-CB 3.36Å; L894-C897 PolarHBondContact O-N 3.48Å | ||
| 898 | E | 84 | Confident | 88.6 | Confident | 120 Ų | 120 | 29.4 Ų | 29.4 | 56% | 0.561 | 15% | 0.15 | S | C | * | . | trans | -98.8 | -4.4 | -178.9 | -59.1 | -169.6 | 131.3 | 0 | 0 | 113.6 | N896 K900 K968 | N896-E898 PolarHBondContact O-N 2.84Å; E898-K900 PolarHBondContact O-N 2.83Å; E898-K968 HydrophobicContact CG-CD 4.01Å; E898-K968 WeakPolarHBondContact OE1-CD 3.47Å; E898-K968 WeakPolarHBondContact OE1-CE 3.28Å; E898-K968 IonicContact OE1-NZ 2.89Å; E898-K968 PolarHBondContact OE1-NZ 3.03Å | ||
| 899 | S | 86 | Confident | 88.4 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 17% | 0.168 | 17% | 0.171 | C | C | . | . | trans | -65.2 | 131.8 | -178.2 | 177 | 0 | 0 | 0 | 0 | 111.4 | Y848 D901 V902 | Y848-S899 WeakPolarHBondContact CE1-OG 3.45Å; Y848-S899 PolarHBondContact OH-OG 3.31Å; S899-D901 PolarHBondContact O-N 2.88Å; S899-D901 PolarHBondContact OG-N 3Å; S899-V902 PolarHBondContact O-N 3.12Å | ||
| 900 | K | 81.4 | Confident | 87.7 | Confident | 207 Ų | 207 | 39.3 Ų | 39.3 | 90% | 0.9 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.6 | 177.5 | -64 | -178.9 | -177.5 | 175.9 | 0 | 113 | E898 V902 | E898-K900 PolarHBondContact O-N 2.83Å; K900-V902 VanDerWaalsContact C-N 3.29Å |
| 901 | D | 84.2 | Confident | 87.2 | Confident | 89 Ų | 89 | 39.5 Ų | 39.5 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.8 | 177.5 | -76.2 | -63.6 | 0 | 0 | 0 | 112.7 | G827 S899 K1031 | G827-D901 WeakPolarHBondContact CA-O 3.36Å; S899-D901 PolarHBondContact O-N 2.88Å; S899-D901 PolarHBondContact OG-N 3Å; D901-K1031 IonicContact OD1-NZ 2.83Å; D901-K1031 PolarHBondContact OD1-NZ 3.17Å |
| 902 | V | 87.9 | Confident | 86.9 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | trans | -98.8 | 120.5 | 178.4 | 180 | 0 | 0 | 0 | 0 | 110.8 | S826 A828 Y848 S899 K900 | S826-V902 WeakPolarHBondContact O-CA 3.43Å; A828-V902 HydrophobicContact CB-CG2 4.31Å; Y848-V902 HydrophobicContact CD2-CG2 3.89Å; Y848-V902 HydrophobicContact CE1-CG2 4.36Å; Y848-V902 HydrophobicContact CE2-CG2 3.3Å; S899-V902 PolarHBondContact O-N 3.12Å; K900-V902 VanDerWaalsContact C-N 3.29Å | ||
| 903 | D | 87.7 | Confident | 86.4 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -101.1 | 121.4 | 166.3 | -174.4 | -6.4 | 0 | 0 | 0 | 108.5 | C825 S826 G905 R909 | C825-D903 CarbonylContact C-O 3.59Å; C825-D903 WeakPolarHBondContact CA-O 3.43Å; C825-D903 PolarHBondContact SG-O 3.43Å; S826-D903 PolarHBondContact N-O 3.33Å; S826-D903 PolarHBondContact O-N 2.8Å; D903-G905 VanDerWaalsContact C-N 3.25Å; D903-G905 PolarHBondContact O-N 3.13Å; D903-G905 PolarHBondContact OD1-N 3.14Å; D903-R909 IonicContact OD1-CZ 3.5Å; D903-R909 IonicContact OD1-NH2 2.68Å; D903-R909 PolarHBondContact OD1-NH2 3.5Å; D903-R909 IonicContact OD2-NH2 3.07Å |
| 904 | I | 86.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | trans | -76 | -9.2 | 178.7 | 60.9 | 172.1 | 0 | 0 | 0 | 113.9 | L895 L908 R909 | L895-I904 HydrophobicContact CD2-CD1 3.99Å; I904-L908 HydrophobicContact CB-CB 4.13Å; I904-L908 HydrophobicContact CB-CD1 4.39Å; I904-L908 HydrophobicContact CD1-CB 4.32Å; I904-L908 HydrophobicContact CG1-CB 4.41Å; I904-L908 WeakPolarHBondContact O-CB 3.28Å; I904-R909 HydrophobicContact CD1-CB 4.11Å; I904-R909 HydrophobicContact CG1-CB 4.31Å | ||
| 905 | G | 84.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | 77.1 | 173 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D903 R909 | D903-G905 VanDerWaalsContact C-N 3.25Å; D903-G905 PolarHBondContact O-N 3.13Å; D903-G905 PolarHBondContact OD1-N 3.14Å; G905-R909 WeakPolarHBondContact O-CB 3.28Å; G905-R909 PolarHBondContact O-N 3.01Å; G905-R909 VanDerWaalsContact O-N 3.17Å |
| 906 | S | 78.7 | Confident | 84.6 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.8 | -45.7 | -173 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | L908 R909 E910 | S906-L908 PolarHBondContact O-N 3.01Å; S906-R909 PolarHBondContact O-N 3.24Å; S906-E910 WeakPolarHBondContact O-CB 3.34Å; S906-E910 VanDerWaalsContact O-CG 3.3Å; S906-E910 WeakPolarHBondContact O-CG 3.32Å; S906-E910 PolarHBondContact O-N 2.96Å |
| 907 | T | 80.3 | Confident | 83.8 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -48 | -176.9 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | F807 T809 F911 K932 | F807-T907 WeakPolarHBondContact O-CB 3.38Å; F807-T907 WeakPolarHBondContact O-CG2 3.27Å; T809-T907 PolarHBondContact O-OG1 3.46Å; T907-F911 VanDerWaalsContact O-CB 3.28Å; T907-F911 WeakPolarHBondContact O-CB 3.31Å; T907-F911 PolarHBondContact O-N 2.75Å; T907-K932 HydrophobicContact CG2-CB 4.11Å; T907-K932 HydrophobicContact CG2-CD 3.81Å |
| 908 | L | 87.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.3 | -32.5 | 177.1 | -67.9 | -175 | 0 | 0 | 0 | 112.7 | F807 I891 L894 L895 I904 S906 F911 K912 | F807-L908 HydrophobicContact CB-CD1 4.02Å; F807-L908 HydrophobicContact CB-CD2 4.23Å; F807-L908 HydrophobicContact CB-CG 4.11Å; I891-L908 HydrophobicContact CD1-CD2 4.37Å; I891-L908 HydrophobicContact CG1-CD2 4.12Å; I891-L908 HydrophobicContact CG2-CD2 4.47Å; L894-L908 HydrophobicContact CB-CD1 4.46Å; L894-L908 HydrophobicContact CD1-CD1 3.93Å; L895-L908 HydrophobicContact CD2-CB 4.08Å; I904-L908 HydrophobicContact CB-CB 4.13Å; I904-L908 HydrophobicContact CB-CD1 4.39Å; I904-L908 HydrophobicContact CD1-CB 4.32Å; I904-L908 HydrophobicContact CG1-CB 4.41Å; I904-L908 WeakPolarHBondContact O-CB 3.28Å; S906-L908 PolarHBondContact O-N 3.01Å; L908-F911 PolarHBondContact O-N 2.91Å; L908-K912 VanDerWaalsContact O-CB 3.28Å; L908-K912 WeakPolarHBondContact O-CB 3.42Å; L908-K912 PolarHBondContact O-N 2.65Å |
| 909 | R | 87 | Confident | 83.3 | Confident | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 175.4 | -174.4 | 179.4 | -63.6 | 128.6 | 5.8 | 112 | D903 I904 G905 S906 K912 T913 | D903-R909 IonicContact OD1-CZ 3.5Å; D903-R909 IonicContact OD1-NH2 2.68Å; D903-R909 PolarHBondContact OD1-NH2 3.5Å; D903-R909 IonicContact OD2-NH2 3.07Å; I904-R909 HydrophobicContact CD1-CB 4.11Å; I904-R909 HydrophobicContact CG1-CB 4.31Å; G905-R909 WeakPolarHBondContact O-CB 3.28Å; G905-R909 PolarHBondContact O-N 3.01Å; G905-R909 VanDerWaalsContact O-N 3.17Å; S906-R909 PolarHBondContact O-N 3.24Å; R909-K912 PolarHBondContact O-N 2.65Å; R909-T913 WeakPolarHBondContact O-CB 3.43Å; R909-T913 PolarHBondContact O-N 3.47Å; R909-T913 PolarHBondContact O-OG1 3.42Å |
| 910 | E | 79.3 | Confident | 83.3 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 172.6 | -74.6 | 167.9 | -162.4 | 0 | 0 | 110.5 | S906 T913 F914 K932 | S906-E910 WeakPolarHBondContact O-CB 3.34Å; S906-E910 VanDerWaalsContact O-CG 3.3Å; S906-E910 WeakPolarHBondContact O-CG 3.32Å; S906-E910 PolarHBondContact O-N 2.96Å; E910-T913 PolarHBondContact O-N 2.95Å; E910-F914 VanDerWaalsContact O-CB 3.27Å; E910-F914 WeakPolarHBondContact O-CB 3.28Å; E910-F914 PolarHBondContact O-N 3.46Å; E910-K932 IonicContact OE2-NZ 2.67Å |
| 911 | F | 84.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 177 | -172.9 | -94.1 | 0 | 0 | 0 | 111.9 | Y875 L895 T907 L908 T913 F914 T915 C926 L927 C930 I933 | Y875-F911 VanDerWaalsContact OH-CE1 3.3Å; Y875-F911 WeakPolarHBondContact OH-CE1 3.39Å; L895-F911 HydrophobicContact CD1-CD1 4.35Å; T907-F911 VanDerWaalsContact O-CB 3.28Å; T907-F911 WeakPolarHBondContact O-CB 3.31Å; T907-F911 PolarHBondContact O-N 2.75Å; L908-F911 PolarHBondContact O-N 2.91Å; F911-T913 VanDerWaalsContact C-N 3.34Å; F911-T913 PolarHBondContact O-N 2.73Å; F911-F914 PolarHBondContact O-N 3.04Å; F911-T915 HydrophobicContact CD1-CG2 4.32Å; F911-T915 HydrophobicContact CD2-CG2 4.38Å; F911-T915 HydrophobicContact CE1-CG2 3.97Å; F911-T915 HydrophobicContact CE2-CG2 4.03Å; F911-T915 HydrophobicContact CZ-CG2 3.79Å; F911-T915 WeakPolarHBondContact O-CB 3.27Å; F911-T915 WeakPolarHBondContact O-CG2 3.37Å; F911-T915 PolarHBondContact O-N 3.06Å; F911-T915 PolarHBondContact O-OG1 3.25Å; F911-C926 HydrophobicContact CE2-CB 3.78Å; F911-C926 HydrophobicContact CZ-CB 3.94Å; F911-L927 HydrophobicContact CE2-CB 4.37Å; F911-L927 HydrophobicContact CZ-CB 3.75Å; F911-C930 HydrophobicContact CE2-CB 4.5Å; F911-I933 HydrophobicContact CD2-CD1 4.24Å; F911-I933 HydrophobicContact CE2-CD1 4.41Å; F911-I933 HydrophobicContact CG-CD1 4.46Å |
| 912 | K | 87.3 | Confident | 82.9 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 177.4 | -173.7 | 175.4 | -178.2 | 168.1 | 0 | 111.6 | Y875 L895 L908 R909 T915 A916 | Y875-K912 HydrophobicContact CD2-CG 4.26Å; Y875-K912 HydrophobicContact CE2-CG 4.24Å; L895-K912 HydrophobicContact CB-CD 4.48Å; L895-K912 HydrophobicContact CD1-CB 4.4Å; L895-K912 HydrophobicContact CD2-CB 4.05Å; L895-K912 HydrophobicContact CD2-CD 4.12Å; L895-K912 HydrophobicContact CD2-CG 4.46Å; L895-K912 PolarHBondContact O-NZ 2.83Å; L908-K912 VanDerWaalsContact O-CB 3.28Å; L908-K912 WeakPolarHBondContact O-CB 3.42Å; L908-K912 PolarHBondContact O-N 2.65Å; R909-K912 PolarHBondContact O-N 2.65Å; K912-T915 PolarHBondContact O-N 3.34Å; K912-A916 WeakPolarHBondContact O-CA 3.47Å; K912-A916 WeakPolarHBondContact O-CB 3.34Å; K912-A916 PolarHBondContact O-N 2.93Å |
| 913 | T | 82.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 44.9 Ų | 44.9 | 64% | 0.638 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.2 | -45.2 | 179 | -56 | 0 | 0 | 0 | 0 | 111 | R909 E910 F911 T915 | R909-T913 WeakPolarHBondContact O-CB 3.43Å; R909-T913 PolarHBondContact O-N 3.47Å; R909-T913 PolarHBondContact O-OG1 3.42Å; E910-T913 PolarHBondContact O-N 2.95Å; F911-T913 VanDerWaalsContact C-N 3.34Å; F911-T913 PolarHBondContact O-N 2.73Å; T913-T915 VanDerWaalsContact C-N 3.33Å; T913-T915 PolarHBondContact O-N 3.36Å |
| 914 | F | 77.9 | Confident | 82.7 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.3 | 177.4 | -107.6 | 0 | 0 | 0 | 112.5 | Q759 A762 E910 F911 M918 | Q759-F914 HydrophobicContact CG-CD2 4.46Å; Q759-F914 HydrophobicContact CG-CE1 4.47Å; Q759-F914 HydrophobicContact CG-CE2 4.23Å; Q759-F914 HydrophobicContact CG-CZ 4.24Å; A762-F914 HydrophobicContact CB-CE2 3.89Å; A762-F914 HydrophobicContact CB-CZ 3.62Å; E910-F914 VanDerWaalsContact O-CB 3.27Å; E910-F914 WeakPolarHBondContact O-CB 3.28Å; E910-F914 PolarHBondContact O-N 3.46Å; F911-F914 PolarHBondContact O-N 3.04Å; F914-M918 HydrophobicContact CD1-CE 4.19Å; F914-M918 HydrophobicContact CE1-CE 3.75Å; F914-M918 HydrophobicContact CE2-CE 4.46Å; F914-M918 HydrophobicContact CZ-CE 3.89Å |
| 915 | T | 84.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -97.4 | 4.2 | -174.6 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | Y875 F911 K912 T913 N917 M918 R923 C926 | Y875-T915 PolarHBondContact OH-OG1 2.94Å; F911-T915 HydrophobicContact CD1-CG2 4.32Å; F911-T915 HydrophobicContact CD2-CG2 4.38Å; F911-T915 HydrophobicContact CE1-CG2 3.97Å; F911-T915 HydrophobicContact CE2-CG2 4.03Å; F911-T915 HydrophobicContact CZ-CG2 3.79Å; F911-T915 WeakPolarHBondContact O-CB 3.27Å; F911-T915 WeakPolarHBondContact O-CG2 3.37Å; F911-T915 PolarHBondContact O-N 3.06Å; F911-T915 PolarHBondContact O-OG1 3.25Å; K912-T915 PolarHBondContact O-N 3.34Å; T913-T915 VanDerWaalsContact C-N 3.33Å; T913-T915 PolarHBondContact O-N 3.36Å; T915-N917 VanDerWaalsContact C-N 3.31Å; T915-N917 PolarHBondContact O-N 2.84Å; T915-M918 HydrophobicContact CG2-SD 4.02Å; T915-M918 PolarHBondContact O-N 2.88Å; T915-R923 PolarHBondContact O-NE 3.4Å; T915-C926 HydrophobicContact CG2-CB 3.82Å |
| 916 | A | 81.1 | Confident | 82 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -44 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K912 R923 | K912-A916 WeakPolarHBondContact O-CA 3.47Å; K912-A916 WeakPolarHBondContact O-CB 3.34Å; K912-A916 PolarHBondContact O-N 2.93Å; A916-R923 PolarHBondContact O-NH2 3.23Å |
| 917 | N | 77.4 | Confident | 82.1 | Confident | 141 Ų | 141 | 40.9 Ų | 40.9 | 75% | 0.754 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.6 | -175.1 | -61.4 | -23.5 | 0 | 0 | 0 | 114 | T915 | T915-N917 VanDerWaalsContact C-N 3.31Å; T915-N917 PolarHBondContact O-N 2.84Å |
| 918 | M | 81.2 | Confident | 81.9 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -85.1 | 152.3 | -177.6 | -63 | 178.8 | 178.1 | 0 | 0 | 111.9 | T771 F914 T915 R923 C926 | T771-M918 HydrophobicContact CG2-CE 4.02Å; F914-M918 HydrophobicContact CD1-CE 4.19Å; F914-M918 HydrophobicContact CE1-CE 3.75Å; F914-M918 HydrophobicContact CE2-CE 4.46Å; F914-M918 HydrophobicContact CZ-CE 3.89Å; T915-M918 HydrophobicContact CG2-SD 4.02Å; T915-M918 PolarHBondContact O-N 2.88Å; M918-R923 HydrophobicContact CB-CG 3.9Å; M918-R923 PolarHBondContact O-NE 3.37Å; M918-R923 PolarHBondContact O-NH2 3.35Å; M918-C926 VanDerWaalsContact SD-SG 3.69Å |
| 919 | D | 82 | Confident | 81.1 | Confident | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | trans | -69.2 | 158.5 | 170.6 | 75.3 | -58 | 0 | 0 | 0 | 111.8 | A921 S922 R923 | D919-A921 VanDerWaalsContact C-N 3.27Å; D919-A921 PolarHBondContact O-N 3.28Å; D919-A921 VanDerWaalsContact O-N 3.16Å; D919-A921 WeakPolarHBondContact OD2-CB 3.44Å; D919-A921 PolarHBondContact OD2-N 2.8Å; D919-S922 PolarHBondContact O-N 2.87Å; D919-S922 VanDerWaalsContact O-N 3.13Å; D919-S922 WeakPolarHBondContact OD1-CB 3.34Å; D919-S922 PolarHBondContact OD1-N 3.33Å; D919-S922 PolarHBondContact OD1-OG 3.26Å; D919-R923 WeakPolarHBondContact O-CG 3.19Å; D919-R923 PolarHBondContact O-N 2.98Å | ||
| 920 | P | 85.8 | Confident | 80.5 | Confident | 35 Ų | 35 | 38.2 Ų | 38.2 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.7 | -36.7 | -175.2 | -29.6 | 36.8 | 0 | 0 | 0 | 115.3 | F876 L878 R923 G924 | F876-P920 HydrophobicContact CD1-CB 3.61Å; F876-P920 HydrophobicContact CD1-CG 3.88Å; F876-P920 HydrophobicContact CE1-CB 3.98Å; L878-P920 HydrophobicContact CB-CB 4.26Å; L878-P920 PolarHBondContact N-O 2.69Å; P920-R923 PolarHBondContact O-N 3.09Å; P920-G924 PolarHBondContact O-N 3.3Å; P920-G924 VanDerWaalsContact O-N 3.11Å |
| 921 | A | 81.1 | Confident | 80.2 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D919 R923 G924 L925 | D919-A921 VanDerWaalsContact C-N 3.27Å; D919-A921 PolarHBondContact O-N 3.28Å; D919-A921 VanDerWaalsContact O-N 3.16Å; D919-A921 WeakPolarHBondContact OD2-CB 3.44Å; D919-A921 PolarHBondContact OD2-N 2.8Å; A921-R923 VanDerWaalsContact C-N 3.34Å; A921-R923 PolarHBondContact O-N 2.95Å; A921-G924 PolarHBondContact O-N 3.29Å; A921-L925 PolarHBondContact O-N 3.43Å |
| 922 | S | 78.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 174 | -68.8 | 0 | 0 | 0 | 0 | 112.8 | H772 D919 G924 L925 C926 | H772-S922 PolarHBondContact CD2-OG 2.95Å; H772-S922 PolarHBondContact NE2-OG 2.75Å; D919-S922 PolarHBondContact O-N 2.87Å; D919-S922 VanDerWaalsContact O-N 3.13Å; D919-S922 WeakPolarHBondContact OD1-CB 3.34Å; D919-S922 PolarHBondContact OD1-N 3.33Å; D919-S922 PolarHBondContact OD1-OG 3.26Å; S922-G924 VanDerWaalsContact C-N 3.31Å; S922-G924 PolarHBondContact O-N 3.18Å; S922-L925 WeakPolarHBondContact O-CB 3.45Å; S922-L925 PolarHBondContact O-N 2.77Å; S922-L925 VanDerWaalsContact O-N 3.16Å; S922-C926 PolarHBondContact O-N 3.21Å; S922-C926 PolarHBondContact O-SG 2.7Å; S922-C926 VanDerWaalsContact O-SG 3.39Å |
| 923 | R | 85.8 | Confident | 79.7 | Confident | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.1 | -63.8 | 178.6 | 171.2 | 154.7 | 3.3 | 111.6 | F876 A877 T915 A916 M918 D919 P920 A921 L925 C926 L927 | F876-R923 WeakPolarHBondContact O-CD 3.33Å; F876-R923 PolarHBondContact O-NH1 3.18Å; F876-R923 VanDerWaalsContact O-NH1 3.12Å; A877-R923 HydrophobicContact CB-CB 3.68Å; T915-R923 PolarHBondContact O-NE 3.4Å; A916-R923 PolarHBondContact O-NH2 3.23Å; M918-R923 HydrophobicContact CB-CG 3.9Å; M918-R923 PolarHBondContact O-NE 3.37Å; M918-R923 PolarHBondContact O-NH2 3.35Å; D919-R923 WeakPolarHBondContact O-CG 3.19Å; D919-R923 PolarHBondContact O-N 2.98Å; P920-R923 PolarHBondContact O-N 3.09Å; A921-R923 VanDerWaalsContact C-N 3.34Å; A921-R923 PolarHBondContact O-N 2.95Å; R923-L925 VanDerWaalsContact C-N 3.28Å; R923-L925 PolarHBondContact O-N 2.93Å; R923-C926 WeakPolarHBondContact O-CB 3.43Å; R923-C926 PolarHBondContact O-N 3.37Å; R923-L927 PolarHBondContact O-N 2.93Å |
| 924 | G | 84.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L878 V880 P920 A921 S922 L927 T928 | L878-G924 WeakPolarHBondContact O-CA 2.91Å; V880-G924 WeakPolarHBondContact CG2-O 3.45Å; P920-G924 PolarHBondContact O-N 3.3Å; P920-G924 VanDerWaalsContact O-N 3.11Å; A921-G924 PolarHBondContact O-N 3.29Å; S922-G924 VanDerWaalsContact C-N 3.31Å; S922-G924 PolarHBondContact O-N 3.18Å; G924-L927 PolarHBondContact O-N 2.78Å; G924-T928 WeakPolarHBondContact O-CB 3.46Å; G924-T928 PolarHBondContact O-N 2.96Å; G924-T928 PolarHBondContact O-OG1 2.88Å |
| 925 | L | 76.8 | Confident | 79.9 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.1 | -143.6 | 58.7 | 0 | 0 | 0 | 112.8 | L775 R776 V779 V880 A921 S922 R923 T928 N929 | L775-L925 HydrophobicContact CB-CB 4.3Å; L775-L925 HydrophobicContact CB-CD2 3.38Å; L775-L925 HydrophobicContact CB-CG 3.77Å; R776-L925 HydrophobicContact CB-CD2 4.27Å; V779-L925 HydrophobicContact CB-CD1 3.58Å; V779-L925 HydrophobicContact CB-CG 4.47Å; V779-L925 HydrophobicContact CG1-CD1 3.91Å; V779-L925 HydrophobicContact CG2-CD1 3.16Å; V779-L925 HydrophobicContact CG2-CG 3.77Å; V880-L925 HydrophobicContact CB-CD1 4.27Å; V880-L925 HydrophobicContact CG1-CD1 4.28Å; V880-L925 HydrophobicContact CG2-CD1 4.04Å; A921-L925 PolarHBondContact O-N 3.43Å; S922-L925 WeakPolarHBondContact O-CB 3.45Å; S922-L925 PolarHBondContact O-N 2.77Å; S922-L925 VanDerWaalsContact O-N 3.16Å; R923-L925 VanDerWaalsContact C-N 3.28Å; R923-L925 PolarHBondContact O-N 2.93Å; L925-T928 PolarHBondContact O-N 2.85Å; L925-N929 PolarHBondContact O-N 3.4Å; L925-N929 VanDerWaalsContact O-N 3.16Å; L925-N929 PolarHBondContact O-ND2 3.36Å |
| 926 | C | 78.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 173.2 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | L775 F911 T915 M918 S922 R923 T928 N929 C930 | L775-C926 WeakPolarHBondContact CD1-SG 3.31Å; F911-C926 HydrophobicContact CE2-CB 3.78Å; F911-C926 HydrophobicContact CZ-CB 3.94Å; T915-C926 HydrophobicContact CG2-CB 3.82Å; M918-C926 VanDerWaalsContact SD-SG 3.69Å; S922-C926 PolarHBondContact O-N 3.21Å; S922-C926 PolarHBondContact O-SG 2.7Å; S922-C926 VanDerWaalsContact O-SG 3.39Å; R923-C926 WeakPolarHBondContact O-CB 3.43Å; R923-C926 PolarHBondContact O-N 3.37Å; C926-T928 VanDerWaalsContact C-N 3.31Å; C926-T928 PolarHBondContact O-N 3.45Å; C926-N929 PolarHBondContact O-N 3.2Å; C926-C930 PolarHBondContact O-N 3.29Å |
| 927 | L | 82.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.7 | -173.3 | 155.1 | 0 | 0 | 0 | 110.6 | W790 Q888 I891 F911 R923 G924 N929 C930 I933 | W790-L927 HydrophobicContact CH2-CD2 4.06Å; Q888-L927 HydrophobicContact CB-CD1 4.4Å; Q888-L927 HydrophobicContact CG-CD1 4.37Å; I891-L927 HydrophobicContact CB-CD1 4.3Å; I891-L927 HydrophobicContact CD1-CD1 3.79Å; I891-L927 HydrophobicContact CD1-CG 4.23Å; I891-L927 HydrophobicContact CG2-CD1 4.2Å; F911-L927 HydrophobicContact CE2-CB 4.37Å; F911-L927 HydrophobicContact CZ-CB 3.75Å; R923-L927 PolarHBondContact O-N 2.93Å; G924-L927 PolarHBondContact O-N 2.78Å; L927-N929 VanDerWaalsContact C-N 3.31Å; L927-N929 PolarHBondContact O-N 3.41Å; L927-C930 WeakPolarHBondContact O-CB 3.35Å; L927-C930 PolarHBondContact O-N 3.3Å; L927-C930 VanDerWaalsContact O-N 3.14Å; L927-I933 HydrophobicContact CD2-CG2 4.29Å; L927-I933 HydrophobicContact CG-CD1 4.41Å; L927-I933 HydrophobicContact CG-CG2 4.43Å |
| 928 | T | 74.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | M782 W790 V880 V881 G924 L925 C926 C930 | M782-T928 HydrophobicContact CE-CG2 4.21Å; M782-T928 HydrophobicContact SD-CG2 4.25Å; W790-T928 WeakPolarHBondContact CZ2-O 3.44Å; V880-T928 HydrophobicContact CG2-CG2 4.4Å; V880-T928 WeakPolarHBondContact CG2-OG1 3.45Å; V881-T928 HydrophobicContact CB-CG2 4.2Å; V881-T928 HydrophobicContact CG1-CG2 3.46Å; V881-T928 VanDerWaalsContact CG1-CG2 3.46Å; V881-T928 HydrophobicContact CG2-CG2 3.68Å; G924-T928 WeakPolarHBondContact O-CB 3.46Å; G924-T928 PolarHBondContact O-N 2.96Å; G924-T928 PolarHBondContact O-OG1 2.88Å; L925-T928 PolarHBondContact O-N 2.85Å; C926-T928 VanDerWaalsContact C-N 3.31Å; C926-T928 PolarHBondContact O-N 3.45Å; T928-C930 VanDerWaalsContact C-N 3.33Å |
| 929 | N | 71.5 | Confident | 80.8 | Confident | 48 Ų | 48 | 30 Ų | 30 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.5 | 178.8 | -73.2 | -69.9 | 0 | 0 | 0 | 113.5 | V779 L925 C926 L927 D931 | V779-N929 WeakPolarHBondContact CG2-ND2 3.37Å; L925-N929 PolarHBondContact O-N 3.4Å; L925-N929 VanDerWaalsContact O-N 3.16Å; L925-N929 PolarHBondContact O-ND2 3.36Å; C926-N929 PolarHBondContact O-N 3.2Å; L927-N929 VanDerWaalsContact C-N 3.31Å; L927-N929 PolarHBondContact O-N 3.41Å; N929-D931 PolarHBondContact O-N 3.2Å; N929-D931 VanDerWaalsContact O-N 3.14Å |
| 930 | C | 73.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | trans | -80.3 | 98.3 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | F911 C926 L927 T928 K932 I933 R934 | F911-C930 HydrophobicContact CE2-CB 4.5Å; C926-C930 PolarHBondContact O-N 3.29Å; L927-C930 WeakPolarHBondContact O-CB 3.35Å; L927-C930 PolarHBondContact O-N 3.3Å; L927-C930 VanDerWaalsContact O-N 3.14Å; T928-C930 VanDerWaalsContact C-N 3.33Å; C930-K932 PolarHBondContact O-N 3.49Å; C930-K932 VanDerWaalsContact O-N 3.13Å; C930-I933 HydrophobicContact CB-CB 4.07Å; C930-I933 HydrophobicContact CB-CD1 3.83Å; C930-I933 HydrophobicContact CB-CG1 4.14Å; C930-I933 PolarHBondContact O-N 3.02Å; C930-I933 VanDerWaalsContact O-N 3.11Å; C930-R934 WeakPolarHBondContact O-CB 3.27Å; C930-R934 PolarHBondContact O-N 2.96Å | ||
| 931 | D | 74 | Confident | 80.2 | Confident | 104 Ų | 104 | 28.4 Ų | 28.4 | 56% | 0.556 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -52.9 | -35.6 | 179.1 | -73.2 | -22.3 | 0 | 0 | 0 | 113.1 | N929 R934 S935 | N929-D931 PolarHBondContact O-N 3.2Å; N929-D931 VanDerWaalsContact O-N 3.14Å; D931-R934 IonicContact OD1-CZ 3.29Å; D931-R934 IonicContact OD1-NE 3.47Å; D931-R934 IonicContact OD1-NH2 3.99Å; D931-R934 PolarHBondContact OD1-NH2 2.68Å; D931-S935 WeakPolarHBondContact O-CB 3.21Å; D931-S935 PolarHBondContact O-N 2.91Å |
| 932 | K | 76.2 | Confident | 79.4 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.7 | -52.6 | 177.5 | -63.8 | 179.4 | -178.6 | 176.5 | 0 | 111.3 | T907 E910 C930 S935 V936 | T907-K932 HydrophobicContact CG2-CB 4.11Å; T907-K932 HydrophobicContact CG2-CD 3.81Å; E910-K932 IonicContact OE2-NZ 2.67Å; C930-K932 PolarHBondContact O-N 3.49Å; C930-K932 VanDerWaalsContact O-N 3.13Å; K932-S935 PolarHBondContact O-N 3.31Å; K932-V936 WeakPolarHBondContact O-CG2 3.16Å; K932-V936 PolarHBondContact O-N 2.88Å; K932-V936 VanDerWaalsContact O-N 3.1Å |
| 933 | I | 84.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.7 | -68 | 167.6 | 0 | 0 | 0 | 110.3 | W790 F807 I891 F911 L927 C930 S935 V936 H937 | W790-I933 HydrophobicContact CH2-CG2 4.17Å; F807-I933 HydrophobicContact CD1-CG1 4.44Å; F807-I933 HydrophobicContact CD1-CG2 4.43Å; F807-I933 HydrophobicContact CE1-CB 4.37Å; F807-I933 HydrophobicContact CE1-CG2 3.82Å; F807-I933 HydrophobicContact CZ-CG2 4.25Å; I891-I933 HydrophobicContact CD1-CD1 3.8Å; I891-I933 HydrophobicContact CD1-CG1 4.17Å; I891-I933 HydrophobicContact CD1-CG2 3.69Å; F911-I933 HydrophobicContact CD2-CD1 4.24Å; F911-I933 HydrophobicContact CE2-CD1 4.41Å; F911-I933 HydrophobicContact CG-CD1 4.46Å; L927-I933 HydrophobicContact CD2-CG2 4.29Å; L927-I933 HydrophobicContact CG-CD1 4.41Å; L927-I933 HydrophobicContact CG-CG2 4.43Å; C930-I933 HydrophobicContact CB-CB 4.07Å; C930-I933 HydrophobicContact CB-CD1 3.83Å; C930-I933 HydrophobicContact CB-CG1 4.14Å; C930-I933 PolarHBondContact O-N 3.02Å; C930-I933 VanDerWaalsContact O-N 3.11Å; I933-S935 VanDerWaalsContact C-N 3.35Å; I933-S935 PolarHBondContact O-N 3.37Å; I933-V936 PolarHBondContact O-N 3.26Å; I933-H937 WeakPolarHBondContact O-CB 3.35Å; I933-H937 PolarHBondContact O-N 2.93Å |
| 934 | R | 84.2 | Confident | 76.5 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.2 | -172 | 170.6 | 56.6 | 74.8 | 5.2 | 112.2 | N789 W790 C930 D931 H937 N938 | N789-R934 PolarHBondContact ND2-NH1 3Å; W790-R934 HydrophobicContact CD2-CG 4.17Å; W790-R934 HydrophobicContact CH2-CB 3.76Å; W790-R934 HydrophobicContact CH2-CG 4.08Å; W790-R934 HydrophobicContact CZ2-CB 3.59Å; W790-R934 HydrophobicContact CZ2-CG 3.61Å; W790-R934 HydrophobicContact CZ3-CB 4.47Å; C930-R934 WeakPolarHBondContact O-CB 3.27Å; C930-R934 PolarHBondContact O-N 2.96Å; D931-R934 IonicContact OD1-CZ 3.29Å; D931-R934 IonicContact OD1-NE 3.47Å; D931-R934 IonicContact OD1-NH2 3.99Å; D931-R934 PolarHBondContact OD1-NH2 2.68Å; R934-H937 PolarHBondContact O-N 3.45Å; R934-N938 VanDerWaalsContact O-CB 3.29Å; R934-N938 WeakPolarHBondContact O-CB 3.47Å; R934-N938 PolarHBondContact O-N 3.5Å |
| 935 | S | 80.9 | Confident | 74.7 | Confident | 61 Ų | 61 | 48 Ų | 48 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | D931 K932 I933 H937 N938 S939 | D931-S935 WeakPolarHBondContact O-CB 3.21Å; D931-S935 PolarHBondContact O-N 2.91Å; K932-S935 PolarHBondContact O-N 3.31Å; I933-S935 VanDerWaalsContact C-N 3.35Å; I933-S935 PolarHBondContact O-N 3.37Å; S935-H937 PolarHBondContact O-N 2.91Å; S935-N938 PolarHBondContact O-N 3.25Å; S935-S939 WeakPolarHBondContact O-CB 3.48Å; S935-S939 PolarHBondContact O-N 2.95Å |
| 936 | V | 84.7 | Confident | 73.2 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | M803 G806 F807 L811 K932 I933 S939 F940 | M803-V936 HydrophobicContact CB-CG1 4.44Å; M803-V936 HydrophobicContact CG-CG1 4.41Å; G806-V936 WeakPolarHBondContact O-CG2 3.22Å; F807-V936 HydrophobicContact CD1-CB 3.8Å; F807-V936 HydrophobicContact CD1-CG1 3.66Å; F807-V936 HydrophobicContact CD1-CG2 4.14Å; F807-V936 HydrophobicContact CE1-CB 3.73Å; F807-V936 HydrophobicContact CE1-CG1 3.61Å; F807-V936 HydrophobicContact CZ-CG1 4.47Å; L811-V936 HydrophobicContact CD1-CG2 3.47Å; L811-V936 VanDerWaalsContact CD1-CG2 3.47Å; K932-V936 WeakPolarHBondContact O-CG2 3.16Å; K932-V936 PolarHBondContact O-N 2.88Å; K932-V936 VanDerWaalsContact O-N 3.1Å; I933-V936 PolarHBondContact O-N 3.26Å; V936-S939 WeakPolarHBondContact O-CB 3.38Å; V936-S939 PolarHBondContact O-N 3.06Å; V936-S939 PolarHBondContact O-OG 3.37Å; V936-F940 WeakPolarHBondContact O-CD2 3.27Å |
| 937 | H | 89 | Confident | 71.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -54.9 | 176.6 | -179.7 | 103.7 | 0 | 0 | 0 | 111.2 | W790 C791 I793 N883 S887 I933 R934 S935 S939 F940 | W790-H937 HydrophobicContact CE3-CB 4.13Å; W790-H937 AromaticContact CE3-CD2 3.49Å; W790-H937 VanDerWaalsContact CE3-CD2 3.49Å; W790-H937 AromaticContact CE3-CE1 3.78Å; W790-H937 AromaticContact CE3-CG 3.56Å; W790-H937 AromaticContact CE3-ND1 3.76Å; W790-H937 AromaticContact CE3-NE2 3.62Å; W790-H937 HydrophobicContact CZ3-CB 3.79Å; W790-H937 AromaticContact CZ3-CG 3.64Å; W790-H937 AromaticContact CZ3-ND1 3.82Å; C791-H937 PolarHBondContact O-NE2 3.1Å; I793-H937 WeakPolarHBondContact CD1-O 3.43Å; I793-H937 WeakPolarHBondContact CG1-CE1 3.49Å; N883-H937 PolarHBondContact O-CE1 3.44Å; N883-H937 VanDerWaalsContact O-CE1 3.28Å; S887-H937 WeakPolarHBondContact OG-CB 3.48Å; S887-H937 PolarHBondContact OG-ND1 3.38Å; I933-H937 WeakPolarHBondContact O-CB 3.35Å; I933-H937 PolarHBondContact O-N 2.93Å; R934-H937 PolarHBondContact O-N 3.45Å; S935-H937 PolarHBondContact O-N 2.91Å; H937-S939 PolarHBondContact O-N 3.15Å; H937-S939 VanDerWaalsContact O-N 3.15Å; H937-F940 PolarHBondContact O-N 3.1Å |
| 938 | N | 85.7 | Confident | 69 | Low | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.9 | -11.3 | -178.9 | -71.9 | -16.6 | 0 | 0 | 0 | 113.9 | N789 C791 R934 S935 F940 S941 | N789-N938 PolarHBondContact O-ND2 3.14Å; N789-N938 PolarHBondContact O-OD1 2.78Å; C791-N938 PolarHBondContact N-OD1 3.22Å; R934-N938 VanDerWaalsContact O-CB 3.29Å; R934-N938 WeakPolarHBondContact O-CB 3.47Å; R934-N938 PolarHBondContact O-N 3.5Å; S935-N938 PolarHBondContact O-N 3.25Å; N938-F940 PolarHBondContact O-N 2.91Å; N938-F940 VanDerWaalsContact O-N 3.11Å; N938-S941 WeakPolarHBondContact O-CB 3.45Å; N938-S941 PolarHBondContact O-N 3.31Å; N938-S941 PolarHBondContact O-OG 3.01Å |
| 939 | S | 83.9 | Confident | 67.1 | Low | 41 Ų | 41 | 70 Ų | 70 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.7 | 171.7 | 82 | 0 | 0 | 0 | 0 | 112.8 | S935 V936 H937 R1073 | S935-S939 WeakPolarHBondContact O-CB 3.48Å; S935-S939 PolarHBondContact O-N 2.95Å; V936-S939 WeakPolarHBondContact O-CB 3.38Å; V936-S939 PolarHBondContact O-N 3.06Å; V936-S939 PolarHBondContact O-OG 3.37Å; H937-S939 PolarHBondContact O-N 3.15Å; H937-S939 VanDerWaalsContact O-N 3.15Å; S939-R1073 WeakPolarHBondContact O-CD 3.45Å; S939-R1073 WeakPolarHBondContact O-CG 3.43Å; S939-R1073 PolarHBondContact O-NE 3.39Å; S939-R1073 PolarHBondContact OG-NH2 2.79Å |
| 940 | F | 81.4 | Confident | 65.3 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8 | 173.2 | -61.2 | -83.8 | 0 | 0 | 0 | 113 | I793 V799 E802 M803 V936 H937 N938 R942 N1069 | I793-F940 HydrophobicContact CD1-CB 3.89Å; I793-F940 HydrophobicContact CD1-CD2 4.5Å; V799-F940 HydrophobicContact CB-CD1 4.39Å; V799-F940 HydrophobicContact CB-CE1 4.31Å; V799-F940 HydrophobicContact CG1-CB 4.45Å; V799-F940 HydrophobicContact CG1-CD1 3.74Å; V799-F940 HydrophobicContact CG1-CD2 4.15Å; V799-F940 HydrophobicContact CG1-CE1 3.92Å; V799-F940 HydrophobicContact CG1-CE2 4.34Å; V799-F940 HydrophobicContact CG1-CG 3.84Å; V799-F940 HydrophobicContact CG1-CZ 4.21Å; V799-F940 HydrophobicContact CG2-CD1 4.1Å; V799-F940 HydrophobicContact CG2-CE1 4.23Å; E802-F940 HydrophobicContact CB-CZ 3.94Å; E802-F940 HydrophobicContact CG-CZ 3.98Å; M803-F940 HydrophobicContact CG-CD2 3.95Å; M803-F940 HydrophobicContact CG-CE2 3.44Å; M803-F940 VanDerWaalsContact CG-CE2 3.44Å; M803-F940 HydrophobicContact CG-CZ 4.21Å; M803-F940 HydrophobicContact SD-CD2 4.45Å; M803-F940 HydrophobicContact SD-CE2 4.47Å; V936-F940 WeakPolarHBondContact O-CD2 3.27Å; H937-F940 PolarHBondContact O-N 3.1Å; N938-F940 PolarHBondContact O-N 2.91Å; N938-F940 VanDerWaalsContact O-N 3.11Å; F940-R942 PolarHBondContact O-N 2.98Å; F940-N1069 HydrophobicContact CE1-CB 4.4Å |
| 941 | S | 73.4 | Confident | 63.7 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -59.3 | 135.9 | 172.7 | 62 | 0 | 0 | 0 | 0 | 109.6 | N938 P943 | N938-S941 WeakPolarHBondContact O-CB 3.45Å; N938-S941 PolarHBondContact O-N 3.31Å; N938-S941 PolarHBondContact O-OG 3.01Å; S941-P943 WeakPolarHBondContact O-CD 3.4Å |
| 942 | R | 64.1 | Low | 62 | Low | 214 Ų | 214 | 72.7 Ų | 72.7 | 81% | 0.808 | 40% | 0.399 | S | S | * | . | trans | -60.9 | 129 | 169.7 | -67.8 | -176.9 | -179.8 | -176.9 | -0.1 | 107.1 | F940 L944 | F940-R942 PolarHBondContact O-N 2.98Å; R942-L944 PolarHBondContact O-N 3.3Å | ||
| 943 | P | 53.7 | Low | 60 | Low | 45 Ų | 45 | 78.5 Ų | 78.5 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | trans | -57.4 | 111.7 | 169.5 | 17.9 | -25.1 | 0 | 0 | 0 | 107.7 | S941 L945 H1074 N1075 | S941-P943 WeakPolarHBondContact O-CD 3.4Å; P943-L945 PolarHBondContact O-N 3.13Å; P943-H1074 WeakPolarHBondContact CG-O 3.36Å; P943-N1075 HydrophobicContact CB-CB 4.14Å | ||
| 944 | L | 49.6 | Very low | 58 | Low | 124 Ų | 124 | 88.8 Ų | 88.8 | 65% | 0.649 | 46% | 0.464 | S | S | * | . | trans | -57.8 | 114.3 | 179.9 | -90.4 | 129 | 0 | 0 | 0 | 108.2 | R942 F946 E947 | R942-L944 PolarHBondContact O-N 3.3Å; L944-F946 PolarHBondContact O-N 2.81Å; L944-E947 HydrophobicContact CD2-CG 3.99Å | ||
| 945 | L | 46.7 | Very low | 55.9 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -59 | -36.7 | 177.5 | -107.6 | 137.6 | 0 | 0 | 0 | 110.3 | P943 V1077 I1080 | P943-L945 PolarHBondContact O-N 3.13Å; L945-V1077 HydrophobicContact CD2-CG2 3.97Å; L945-V1077 HydrophobicContact CG-CG2 3.97Å; L945-I1080 HydrophobicContact CD2-CD1 4.03Å |
| 946 | F | 44.4 | Very low | 54 | Low | 121 Ų | 121 | 99.7 Ų | 99.7 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | trans | -161 | 150 | 161.3 | -68.2 | -77.9 | 0 | 0 | 0 | 106.4 | L944 L948 | L944-F946 PolarHBondContact O-N 2.81Å; F946-L948 PolarHBondContact O-N 3.5Å | ||
| 947 | E | 36.5 | Very low | 52.4 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | trans | -67.2 | 85 | 161.1 | -95.4 | -177.9 | 164 | 0 | 0 | 107.9 | L944 D949 | L944-E947 HydrophobicContact CD2-CG 3.99Å; E947-D949 PolarHBondContact O-N 3.5Å | ||
| 948 | L | 36.5 | Very low | 51.1 | Low | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | trans | -77.2 | 82.5 | 170.1 | -136.1 | 92.2 | 0 | 0 | 0 | 106.8 | F946 S950 | F946-L948 PolarHBondContact O-N 3.5Å; L948-S950 WeakPolarHBondContact CD2-OG 3.41Å; L948-S950 PolarHBondContact O-N 2.97Å | ||
| 949 | D | 34 | Very low | 50.4 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | trans | -70.8 | 61.4 | 169.1 | -105.8 | -3.3 | 0 | 0 | 0 | 109.2 | R212 E947 A951 | R212-D949 PolarHBondContact NH1-O 2.85Å; E947-D949 PolarHBondContact O-N 3.5Å; D949-A951 VanDerWaalsContact C-N 3.29Å; D949-A951 PolarHBondContact O-N 2.83Å | ||
| 950 | S | 33.9 | Very low | 50.6 | Low | 64 Ų | 64 | 111.7 Ų | 111.7 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | trans | -61.3 | 102.3 | 164.4 | -68.3 | 0 | 0 | 0 | 0 | 105.8 | L948 G952 | L948-S950 WeakPolarHBondContact CD2-OG 3.41Å; L948-S950 PolarHBondContact O-N 2.97Å; S950-G952 CarbonylContact C-O 3.58Å; S950-G952 PolarHBondContact O-N 3.42Å | ||
| 951 | A | 39.7 | Very low | 51.1 | Low | 110 Ų | 110 | 111.1 Ų | 111.1 | 91% | 0.909 | 57% | 0.566 | S | S | * | * | trans | -65.5 | -3.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D949 K953 | D949-A951 VanDerWaalsContact C-N 3.29Å; D949-A951 PolarHBondContact O-N 2.83Å; A951-K953 PolarHBondContact O-N 3.33Å | ||
| 952 | G | 38.1 | Very low | 52.1 | Low | 51 Ų | 51 | 109.3 Ų | 109.3 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -56.3 | 122.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | S950 R954 | S950-G952 CarbonylContact C-O 3.58Å; S950-G952 PolarHBondContact O-N 3.42Å; G952-R954 PolarHBondContact O-N 2.88Å |
| 953 | K | 35.2 | Very low | 53.5 | Low | 196 Ų | 196 | 99.1 Ų | 99.1 | 85% | 0.852 | 51% | 0.513 | S | S | * | . | trans | -10.1 | 104.3 | 177 | -72.8 | 177.9 | 173.2 | -175.3 | 0 | 110.1 | A951 E955 | A951-K953 PolarHBondContact O-N 3.33Å; K953-E955 VanDerWaalsContact C-N 3.3Å; K953-E955 PolarHBondContact O-N 3.09Å | ||
| 954 | R | 42.1 | Very low | 55.5 | Low | 218 Ų | 218 | 97 Ų | 97 | 82% | 0.823 | 50% | 0.499 | S | S | * | . | trans | -43.6 | 112.2 | 162.3 | -84.6 | -179.8 | 175.1 | 172.2 | -1.8 | 103.6 | G952 E956 | G952-R954 PolarHBondContact O-N 2.88Å; R954-E956 PolarHBondContact O-N 2.82Å | ||
| 955 | E | 40.6 | Very low | 57.7 | Low | 150 Ų | 150 | 91 Ų | 91 | 70% | 0.701 | 47% | 0.468 | S | S | * | . | trans | -52 | 122.4 | 173.1 | -72.5 | -176.6 | 166.6 | 0 | 0 | 103.4 | K953 H957 | K953-E955 VanDerWaalsContact C-N 3.3Å; K953-E955 PolarHBondContact O-N 3.09Å; E955-H957 PolarHBondContact O-N 3.01Å; E955-H957 IonicContact OE2-CE1 2.86Å | ||
| 956 | E | 41.6 | Very low | 60 | Low | 194 Ų | 194 | 86.2 Ų | 86.2 | 91% | 0.907 | 44% | 0.443 | S | S | * | . | trans | -63.2 | 83.9 | 174.9 | -81.8 | 176.8 | 160.3 | 0 | 0 | 105.4 | R954 D958 | R954-E956 PolarHBondContact O-N 2.82Å; E956-D958 PolarHBondContact O-N 3.3Å | ||
| 957 | H | 49.6 | Very low | 62.3 | Low | 144 Ų | 144 | 82 Ų | 82 | 67% | 0.667 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 127.8 | 169.8 | -71.9 | -56.6 | 0 | 0 | 0 | 105.5 | E955 A959 | E955-H957 PolarHBondContact O-N 3.01Å; E955-H957 IonicContact OE2-CE1 2.86Å; H957-A959 PolarHBondContact O-N 2.82Å |
| 958 | D | 62.4 | Low | 64.8 | Low | 62 Ų | 62 | 76.7 Ų | 76.7 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -46.6 | 119.7 | 172 | -67.9 | -44.3 | 0 | 0 | 0 | 108.9 | K855 E956 Y960 R1015 | K855-D958 HydrophobicContact CD-CB 4.12Å; K855-D958 WeakPolarHBondContact CE-OD1 3.49Å; K855-D958 HydrophobicContact CG-CB 4.47Å; K855-D958 IonicContact NZ-OD1 2.9Å; K855-D958 PolarHBondContact NZ-OD1 3.12Å; K855-D958 IonicContact NZ-OD2 3.55Å; E956-D958 PolarHBondContact O-N 3.3Å; D958-Y960 HydrophobicContact CB-CD2 4.25Å; D958-Y960 HydrophobicContact CB-CE2 3.59Å; D958-Y960 VanDerWaalsContact O-CD2 3.23Å; D958-Y960 WeakPolarHBondContact O-CD2 3.35Å; D958-Y960 PolarHBondContact O-N 2.86Å; D958-R1015 IonicContact OD2-CZ 3.69Å; D958-R1015 IonicContact OD2-NH1 2.85Å; D958-R1015 PolarHBondContact OD2-NH1 2.85Å; D958-R1015 IonicContact OD2-NH2 3.33Å; D958-R1015 PolarHBondContact OD2-NH2 3.26Å |
| 959 | A | 72.1 | Confident | 67.1 | Low | 51 Ų | 51 | 74.1 Ų | 74.1 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 117.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K855 W856 H957 | K855-A959 CarbonylContact C-O 3.55Å; W856-A959 HydrophobicContact CB-CB 4.46Å; W856-A959 HydrophobicContact CE3-CB 4.27Å; W856-A959 PolarHBondContact N-O 3.39Å; H957-A959 PolarHBondContact O-N 2.82Å |
| 960 | Y | 86.8 | Confident | 69.6 | Low | 71 Ų | 71 | 71.2 Ų | 71.2 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.4 | 173.1 | -72.4 | -91.4 | 0 | 0 | 0 | 110.5 | L853 F854 K855 D958 R1015 | L853-Y960 HydrophobicContact CD2-CD1 4.5Å; L853-Y960 HydrophobicContact CG-CD1 4.24Å; F854-Y960 WeakPolarHBondContact O-CA 3.48Å; K855-Y960 HydrophobicContact CB-CD1 4.22Å; K855-Y960 HydrophobicContact CB-CE1 3.94Å; D958-Y960 HydrophobicContact CB-CD2 4.25Å; D958-Y960 HydrophobicContact CB-CE2 3.59Å; D958-Y960 VanDerWaalsContact O-CD2 3.23Å; D958-Y960 WeakPolarHBondContact O-CD2 3.35Å; D958-Y960 PolarHBondContact O-N 2.86Å; Y960-R1015 HydrophobicContact CE1-CB 4.07Å; Y960-R1015 VanDerWaalsContact OH-CD 3.24Å; Y960-R1015 WeakPolarHBondContact OH-CD 3.48Å; Y960-R1015 PolarHBondContact OH-NE 2.94Å; Y960-R1015 PolarHBondContact OH-NH1 3.02Å; Y960-R1015 PolarHBondContact OH-NH2 2.93Å |
| 961 | H | 91.8 | Very high | 72.4 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.028 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.2 | -176.6 | -172.8 | 51.5 | 0 | 0 | 0 | 112.6 | L853 F854 W856 D976 | L853-H961 WeakPolarHBondContact CA-O 3.29Å; L853-H961 WeakPolarHBondContact CD1-O 3.33Å; F854-H961 PolarHBondContact N-O 2.67Å; F854-H961 PolarHBondContact O-N 3.39Å; W856-H961 HydrophobicContact CB-CB 3.95Å; W856-H961 HydrophobicContact CG-CB 4.45Å; H961-D976 IonicContact CD2-OD1 3.7Å; H961-D976 IonicContact CE1-OD1 3.43Å; H961-D976 IonicContact NE2-OD1 3.87Å; H961-D976 PolarHBondContact NE2-OD1 3.39Å |
| 962 | F | 94 | Very high | 74.8 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.6 | 177.6 | -71 | -85.5 | 0 | 0 | 0 | 110.2 | S795 F800 I851 F852 L853 C885 A886 A889 M1019 | S795-F962 WeakPolarHBondContact OG-CE1 3.42Å; F800-F962 HydrophobicContact CE2-CE1 4.1Å; F800-F962 HydrophobicContact CE2-CZ 4.18Å; F800-F962 HydrophobicContact CZ-CD1 4.05Å; F800-F962 AromaticContact CZ-CE1 3.62Å; F800-F962 HydrophobicContact CZ-CE1 3.62Å; F800-F962 AromaticContact CZ-CZ 3.91Å; F800-F962 HydrophobicContact CZ-CZ 3.91Å; I851-F962 HydrophobicContact CG2-CD1 3.68Å; I851-F962 HydrophobicContact CG2-CE1 4.43Å; F852-F962 WeakPolarHBondContact O-CA 3.34Å; L853-F962 HydrophobicContact CB-CD1 3.94Å; L853-F962 HydrophobicContact CB-CE1 3.81Å; L853-F962 HydrophobicContact CB-CZ 4.44Å; L853-F962 HydrophobicContact CD1-CD1 3.8Å; L853-F962 HydrophobicContact CD1-CD2 3.71Å; L853-F962 HydrophobicContact CD1-CE1 3.77Å; L853-F962 HydrophobicContact CD1-CE2 3.66Å; L853-F962 HydrophobicContact CD1-CG 3.79Å; L853-F962 HydrophobicContact CD1-CZ 3.71Å; L853-F962 HydrophobicContact CD2-CE1 3.96Å; L853-F962 HydrophobicContact CD2-CE2 4.43Å; L853-F962 HydrophobicContact CD2-CZ 3.8Å; L853-F962 HydrophobicContact CG-CD1 4.37Å; L853-F962 HydrophobicContact CG-CE1 4.06Å; L853-F962 HydrophobicContact CG-CZ 4.2Å; C885-F962 HydrophobicContact CB-CB 4.31Å; C885-F962 HydrophobicContact CB-CD2 4.43Å; A886-F962 HydrophobicContact CB-CD2 3.8Å; A886-F962 HydrophobicContact CB-CE2 3.84Å; A886-F962 HydrophobicContact CB-CG 4.38Å; A886-F962 HydrophobicContact CB-CZ 4.44Å; A889-F962 HydrophobicContact CB-CB 3.86Å; F962-M1019 HydrophobicContact CE1-CE 4.05Å |
| 963 | I | 94.6 | Very high | 77.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 161.9 | 171 | 66 | 173.6 | 0 | 0 | 0 | 110.2 | I851 F852 F854 Y965 E974 D976 K1005 | I851-I963 CarbonylContact C-O 3.43Å; I851-I963 WeakPolarHBondContact CA-O 3.48Å; F852-I963 HydrophobicContact CB-CG1 4.02Å; F852-I963 HydrophobicContact CD1-CD1 4.12Å; F852-I963 HydrophobicContact CD1-CG1 4.2Å; F852-I963 PolarHBondContact N-O 2.74Å; F852-I963 PolarHBondContact O-N 3.15Å; F854-I963 HydrophobicContact CE1-CD1 3.83Å; F854-I963 HydrophobicContact CE1-CG1 3.97Å; F854-I963 HydrophobicContact CE1-CG2 3.87Å; F854-I963 HydrophobicContact CZ-CG2 4.41Å; I963-Y965 HydrophobicContact CD1-CE2 4.03Å; I963-Y965 VanDerWaalsContact CD1-OH 3.29Å; I963-Y965 WeakPolarHBondContact CD1-OH 3.21Å; I963-Y965 HydrophobicContact CG1-CE2 4.23Å; I963-E974 HydrophobicContact CD1-CG 4.23Å; I963-D976 HydrophobicContact CB-CB 4.47Å; I963-D976 HydrophobicContact CG2-CB 3.78Å; I963-D976 VanDerWaalsContact CG2-CG 3.46Å; I963-K1005 HydrophobicContact CD1-CD 4.43Å |
| 964 | T | 96 | Very high | 80.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.4 | -176 | -82 | 0 | 0 | 0 | 0 | 111.5 | L850 A889 L893 V966 L975 | L850-T964 CarbonylContact O-C 3.43Å; L850-T964 VanDerWaalsContact O-CA 3.28Å; L850-T964 WeakPolarHBondContact O-CA 3.44Å; A889-T964 WeakPolarHBondContact CA-OG1 3.31Å; A889-T964 WeakPolarHBondContact CB-OG1 3.47Å; A889-T964 PolarHBondContact O-OG1 3.31Å; L893-T964 HydrophobicContact CB-CG2 3.54Å; L893-T964 HydrophobicContact CD1-CG2 3.97Å; L893-T964 HydrophobicContact CG-CG2 3.86Å; T964-V966 HydrophobicContact CG2-CG1 3.76Å; T964-L975 HydrophobicContact CG2-CB 4.4Å; T964-L975 HydrophobicContact CG2-CD1 4.25Å; T964-L975 PolarHBondContact N-O 2.95Å; T964-L975 VanDerWaalsContact N-O 3.08Å; T964-L975 PolarHBondContact O-N 3.11Å |
| 965 | Y | 96.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.9 | 168.8 | -60.3 | -86 | 0 | 0 | 0 | 110.5 | G849 L850 F852 I963 F973 E974 L985 V998 I1002 K1005 | G849-Y965 VanDerWaalsContact CA-O 3.27Å; G849-Y965 WeakPolarHBondContact CA-O 2.95Å; L850-Y965 HydrophobicContact CB-CD2 4.34Å; L850-Y965 PolarHBondContact N-O 3.19Å; L850-Y965 PolarHBondContact O-N 3.24Å; F852-Y965 HydrophobicContact CB-CE2 3.95Å; I963-Y965 HydrophobicContact CD1-CE2 4.03Å; I963-Y965 VanDerWaalsContact CD1-OH 3.29Å; I963-Y965 WeakPolarHBondContact CD1-OH 3.21Å; I963-Y965 HydrophobicContact CG1-CE2 4.23Å; Y965-F973 WeakPolarHBondContact CA-O 3.22Å; Y965-E974 HydrophobicContact CD1-CB 3.84Å; Y965-E974 HydrophobicContact CD1-CG 4.22Å; Y965-E974 HydrophobicContact CE1-CB 3.59Å; Y965-E974 HydrophobicContact CE1-CG 3.64Å; Y965-E974 WeakPolarHBondContact CE1-OE2 3.26Å; Y965-E974 PolarHBondContact OH-OE2 3.4Å; Y965-L985 HydrophobicContact CD1-CD1 3.75Å; Y965-L985 HydrophobicContact CE1-CD1 3.81Å; Y965-V998 HydrophobicContact CD1-CG1 3.94Å; Y965-V998 HydrophobicContact CD1-CG2 4.42Å; Y965-V998 HydrophobicContact CD2-CG1 4.03Å; Y965-V998 HydrophobicContact CE1-CG1 4.4Å; Y965-V998 HydrophobicContact CE2-CG1 4.49Å; Y965-V998 HydrophobicContact CG-CG1 3.74Å; Y965-V998 HydrophobicContact CG-CG2 4.46Å; Y965-I1002 HydrophobicContact CD2-CD1 4.15Å; Y965-I1002 HydrophobicContact CD2-CG1 4.41Å; Y965-I1002 HydrophobicContact CE2-CD1 3.93Å; Y965-I1002 HydrophobicContact CE2-CG1 3.77Å; Y965-K1005 WeakPolarHBondContact OH-CE 3.47Å |
| 966 | V | 94.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.5 | 179.5 | -68.3 | 0 | 0 | 0 | 0 | 112.5 | L893 N896 T964 F973 L975 | L893-V966 HydrophobicContact CB-CG1 4.33Å; L893-V966 HydrophobicContact CG-CG1 3.84Å; N896-V966 HydrophobicContact CB-CB 4.49Å; N896-V966 HydrophobicContact CB-CG1 4.35Å; N896-V966 HydrophobicContact CB-CG2 4.3Å; T964-V966 HydrophobicContact CG2-CG1 3.76Å; V966-F973 HydrophobicContact CG2-CB 4.21Å; V966-F973 PolarHBondContact N-O 3.35Å; V966-F973 PolarHBondContact O-N 3.13Å; V966-L975 HydrophobicContact CG1-CD1 4.48Å; V966-L975 HydrophobicContact CG2-CD1 3.77Å; V966-L975 HydrophobicContact CG2-CG 4.15Å |
| 967 | P | 92.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.2 | 161.2 | 33.1 | -31.1 | 0 | 0 | 0 | 109.7 | R971 I988 W994 | P967-R971 CarbonylContact C-O 3.45Å; P967-R971 WeakPolarHBondContact CA-O 3.5Å; P967-I988 HydrophobicContact CB-CD1 4.12Å; P967-W994 HydrophobicContact CB-CB 4.09Å; P967-W994 HydrophobicContact CB-CD2 3.84Å; P967-W994 HydrophobicContact CB-CE3 4.25Å; P967-W994 HydrophobicContact CB-CG 3.73Å; P967-W994 HydrophobicContact CG-CD2 3.78Å; P967-W994 HydrophobicContact CG-CE3 4.28Å; P967-W994 HydrophobicContact CG-CG 4.02Å; P967-W994 HydrophobicContact CG-CZ2 4.17Å |
| 968 | K | 89 | Confident | 89.3 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 129.7 | 177.5 | -175 | 65.2 | 175.9 | 163.8 | 0 | 110.1 | D873 V874 E898 G970 R971 F973 | D873-K968 WeakPolarHBondContact O-CE 3.37Å; D873-K968 WeakPolarHBondContact OD2-CE 3.34Å; D873-K968 IonicContact OD2-NZ 2.67Å; D873-K968 PolarHBondContact OD2-NZ 3.45Å; V874-K968 HydrophobicContact CG2-CB 4.42Å; V874-K968 HydrophobicContact CG2-CG 4.09Å; E898-K968 HydrophobicContact CG-CD 4.01Å; E898-K968 WeakPolarHBondContact OE1-CD 3.47Å; E898-K968 WeakPolarHBondContact OE1-CE 3.28Å; E898-K968 IonicContact OE1-NZ 2.89Å; E898-K968 PolarHBondContact OE1-NZ 3.03Å; K968-G970 VanDerWaalsContact C-N 3.31Å; K968-G970 PolarHBondContact O-N 3.08Å; K968-R971 PolarHBondContact N-O 2.8Å; K968-R971 PolarHBondContact O-N 2.69Å; K968-F973 HydrophobicContact CB-CD2 4.05Å; K968-F973 HydrophobicContact CB-CE2 4.15Å; K968-F973 WeakPolarHBondContact O-CE2 3.27Å |
| 969 | G | 85.5 | Confident | 90.4 | Very high | 61 Ų | 61 | 23.7 Ų | 23.7 | 63% | 0.629 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R971 | G969-R971 PolarHBondContact O-N 3.06Š|
| 970 | G | 86.6 | Confident | 90.8 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 50% | 0.495 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 9.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K968 I988 | K968-G970 VanDerWaalsContact C-N 3.31Å; K968-G970 PolarHBondContact O-N 3.08Å; G970-I988 PolarHBondContact O-N 3.24Å |
| 971 | R | 91.1 | Very high | 90.7 | Very high | 81 Ų | 81 | 25.5 Ų | 25.5 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 166.5 | -179.8 | -54 | -176.2 | 69.3 | 82.7 | 8 | 110.4 | P967 K968 G969 F973 D984 G986 T987 | P967-R971 CarbonylContact C-O 3.45Å; P967-R971 WeakPolarHBondContact CA-O 3.5Å; K968-R971 PolarHBondContact N-O 2.8Å; K968-R971 PolarHBondContact O-N 2.69Å; G969-R971 PolarHBondContact O-N 3.06Å; R971-F973 HydrophobicContact CB-CD2 4.5Å; R971-F973 HydrophobicContact CB-CE2 3.73Å; R971-F973 HydrophobicContact CB-CZ 4Å; R971-D984 IonicContact CZ-OD1 3.42Å; R971-D984 IonicContact CZ-OD2 3.26Å; R971-D984 IonicContact NE-OD1 3.6Å; R971-D984 PolarHBondContact NE-OD1 2.78Å; R971-D984 IonicContact NE-OD2 3.05Å; R971-D984 PolarHBondContact NE-OD2 2.9Å; R971-D984 IonicContact NH2-OD1 2.61Å; R971-D984 PolarHBondContact NH2-OD1 2.84Å; R971-D984 IonicContact NH2-OD2 3.46Å; R971-D984 PolarHBondContact NH2-OD2 3.39Å; R971-G986 WeakPolarHBondContact CA-O 3.48Å; R971-T987 HydrophobicContact CG-CG2 4.45Å |
| 972 | V | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.5 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | L985 G986 I988 W994 V997 V998 | V972-L985 HydrophobicContact CB-CB 4.32Å; V972-L985 HydrophobicContact CG1-CB 4.43Å; V972-L985 HydrophobicContact CG1-CD1 4.08Å; V972-L985 WeakPolarHBondContact O-CB 3.38Å; V972-L985 PolarHBondContact O-N 2.96Å; V972-G986 PolarHBondContact N-O 2.83Å; V972-I988 HydrophobicContact CG2-CD1 4.29Å; V972-I988 HydrophobicContact CG2-CG1 3.67Å; V972-W994 HydrophobicContact CG1-CE3 4.09Å; V972-W994 HydrophobicContact CG2-CB 3.79Å; V972-V997 HydrophobicContact CB-CG1 4.22Å; V972-V997 HydrophobicContact CG2-CB 4.07Å; V972-V997 HydrophobicContact CG2-CG1 4.21Å; V972-V997 HydrophobicContact CG2-CG2 4.36Å; V972-V998 HydrophobicContact CG1-CG2 3.41Å; V972-V998 VanDerWaalsContact CG1-CG2 3.41Å |
| 973 | F | 93.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.3 | -179 | -62.9 | -86.9 | 0 | 0 | 0 | 111.6 | V874 Y965 V966 K968 R971 L975 P982 V983 D984 | V874-F973 HydrophobicContact CG2-CD1 4.21Å; V874-F973 HydrophobicContact CG2-CD2 3.76Å; V874-F973 HydrophobicContact CG2-CE1 4.12Å; V874-F973 HydrophobicContact CG2-CE2 3.64Å; V874-F973 HydrophobicContact CG2-CG 4.04Å; V874-F973 HydrophobicContact CG2-CZ 3.83Å; Y965-F973 WeakPolarHBondContact CA-O 3.22Å; V966-F973 HydrophobicContact CG2-CB 4.21Å; V966-F973 PolarHBondContact N-O 3.35Å; V966-F973 PolarHBondContact O-N 3.13Å; K968-F973 HydrophobicContact CB-CD2 4.05Å; K968-F973 HydrophobicContact CB-CE2 4.15Å; K968-F973 WeakPolarHBondContact O-CE2 3.27Å; R971-F973 HydrophobicContact CB-CD2 4.5Å; R971-F973 HydrophobicContact CB-CE2 3.73Å; R971-F973 HydrophobicContact CB-CZ 4Å; F973-L975 HydrophobicContact CB-CD2 4.23Å; F973-P982 HydrophobicContact CD1-CB 4.36Å; F973-V983 CarbonylContact C-O 3.5Å; F973-V983 WeakPolarHBondContact CA-O 3.39Å; F973-D984 HydrophobicContact CD1-CB 4.05Å; F973-D984 HydrophobicContact CE1-CB 3.8Å |
| 974 | E | 94.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.7 | 163.3 | 176.3 | 178.8 | 128.2 | 0 | 0 | 109.1 | I963 Y965 V983 L985 K1005 | I963-E974 HydrophobicContact CD1-CG 4.23Å; Y965-E974 HydrophobicContact CD1-CB 3.84Å; Y965-E974 HydrophobicContact CD1-CG 4.22Å; Y965-E974 HydrophobicContact CE1-CB 3.59Å; Y965-E974 HydrophobicContact CE1-CG 3.64Å; Y965-E974 WeakPolarHBondContact CE1-OE2 3.26Å; Y965-E974 PolarHBondContact OH-OE2 3.4Å; E974-V983 HydrophobicContact CB-CB 4.17Å; E974-V983 PolarHBondContact N-O 2.99Å; E974-V983 PolarHBondContact O-N 3.24Å; E974-L985 HydrophobicContact CB-CD1 4.26Å; E974-L985 HydrophobicContact CB-CD2 4.42Å; E974-L985 HydrophobicContact CB-CG 4.36Å; E974-K1005 VanDerWaalsContact CD-NZ 3.26Å; E974-K1005 IonicContact OE1-NZ 3.6Å; E974-K1005 PolarHBondContact OE1-NZ 2.82Å; E974-K1005 WeakPolarHBondContact OE2-CE 3.48Å; E974-K1005 IonicContact OE2-NZ 3.01Å; E974-K1005 PolarHBondContact OE2-NZ 3.48Å; E974-K1005 VanDerWaalsContact OE2-NZ 3.07Å |
| 975 | L | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 92 | 179.9 | -53 | -175.3 | 0 | 0 | 0 | 108.4 | V874 F876 N892 N896 T964 V966 F973 P982 | V874-L975 HydrophobicContact CG1-CD1 4.46Å; V874-L975 HydrophobicContact CG1-CD2 3.79Å; F876-L975 HydrophobicContact CD2-CB 4.11Å; F876-L975 HydrophobicContact CD2-CD2 4.06Å; F876-L975 HydrophobicContact CE2-CB 4.25Å; N892-L975 HydrophobicContact CB-CB 4.46Å; N892-L975 HydrophobicContact CB-CD1 3.95Å; N896-L975 WeakPolarHBondContact ND2-CD1 3.44Å; T964-L975 HydrophobicContact CG2-CB 4.4Å; T964-L975 HydrophobicContact CG2-CD1 4.25Å; T964-L975 PolarHBondContact N-O 2.95Å; T964-L975 VanDerWaalsContact N-O 3.08Å; T964-L975 PolarHBondContact O-N 3.11Å; V966-L975 HydrophobicContact CG1-CD1 4.48Å; V966-L975 HydrophobicContact CG2-CD1 3.77Å; V966-L975 HydrophobicContact CG2-CG 4.15Å; F973-L975 HydrophobicContact CB-CD2 4.23Å; L975-P982 HydrophobicContact CD2-CB 3.6Å; L975-P982 HydrophobicContact CD2-CG 3.84Å |
| 976 | D | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.3 | 175.3 | -174.6 | -20 | 0 | 0 | 0 | 109.5 | Q861 F876 H961 I963 L978 A979 | Q861-D976 PolarHBondContact NE2-OD2 3.25Å; F876-D976 WeakPolarHBondContact CE2-O 3.4Å; F876-D976 WeakPolarHBondContact CZ-O 3.41Å; H961-D976 IonicContact CD2-OD1 3.7Å; H961-D976 IonicContact CE1-OD1 3.43Å; H961-D976 IonicContact NE2-OD1 3.87Å; H961-D976 PolarHBondContact NE2-OD1 3.39Å; I963-D976 HydrophobicContact CB-CB 4.47Å; I963-D976 HydrophobicContact CG2-CB 3.78Å; I963-D976 VanDerWaalsContact CG2-CG 3.46Å; D976-L978 PolarHBondContact O-N 2.87Å; D976-L978 VanDerWaalsContact O-N 3.13Å; D976-L978 PolarHBondContact OD1-N 2.71Å; D976-A979 HydrophobicContact CB-CB 3.96Å; D976-A979 WeakPolarHBondContact O-CB 3.48Å; D976-A979 PolarHBondContact O-N 2.82Å |
| 977 | G | 87.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q879 | Q879-G977 VanDerWaalsContact CB-O 3.24Å; Q879-G977 WeakPolarHBondContact CB-O 3.35Å; Q879-G977 PolarHBondContact N-O 3.28Å |
| 978 | L | 88 | Confident | 88.8 | Confident | 77 Ų | 77 | 38.5 Ų | 38.5 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.4 | 176.1 | -61.2 | 176.2 | 0 | 0 | 0 | 112.9 | W856 Q879 D976 | W856-L978 HydrophobicContact CG-CD1 4.44Å; W856-L978 VanDerWaalsContact NE1-CD1 3.35Å; Q879-L978 HydrophobicContact CB-CD2 4.39Å; D976-L978 PolarHBondContact O-N 2.87Å; D976-L978 VanDerWaalsContact O-N 3.13Å; D976-L978 PolarHBondContact OD1-N 2.71Å |
| 979 | A | 85.7 | Confident | 88.5 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -84.9 | 150.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F876 L878 D976 | F876-A979 WeakPolarHBondContact CZ-O 3.47Å; L878-A979 WeakPolarHBondContact CD1-O 3.17Å; D976-A979 HydrophobicContact CB-CB 3.96Å; D976-A979 WeakPolarHBondContact O-CB 3.48Å; D976-A979 PolarHBondContact O-N 2.82Å |
| 980 | A | 79.4 | Confident | 87.9 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69.1 | -33.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 981 | E | 84.5 | Confident | 87.2 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -142.6 | 157.9 | -174.8 | -65 | -174 | 167.9 | 0 | 0 | 111 | ||
| 982 | P | 91 | Very high | 86.3 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 138.5 | 170.2 | -28 | 38.5 | 0 | 0 | 0 | 112.9 | A871 V874 F876 F973 L975 | A871-P982 HydrophobicContact CB-CB 4.44Å; A871-P982 HydrophobicContact CB-CG 4.36Å; V874-P982 HydrophobicContact CG1-CB 4.41Å; V874-P982 HydrophobicContact CG1-CG 4.17Å; F876-P982 HydrophobicContact CB-CG 3.65Å; F876-P982 HydrophobicContact CD1-CG 4Å; F876-P982 HydrophobicContact CD2-CG 4.25Å; F876-P982 HydrophobicContact CG-CG 3.71Å; F973-P982 HydrophobicContact CD1-CB 4.36Å; L975-P982 HydrophobicContact CD2-CB 3.6Å; L975-P982 HydrophobicContact CD2-CG 3.84Å |
| 983 | V | 89.5 | Confident | 85.9 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | P864 F973 E974 L985 | P864-V983 HydrophobicContact CG-CG2 4.3Å; F973-V983 CarbonylContact C-O 3.5Å; F973-V983 WeakPolarHBondContact CA-O 3.39Å; E974-V983 HydrophobicContact CB-CB 4.17Å; E974-V983 PolarHBondContact N-O 2.99Å; E974-V983 PolarHBondContact O-N 3.24Å; V983-L985 HydrophobicContact CG1-CD2 4.22Å |
| 984 | D | 89.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.5 | 176 | -171.2 | -27.9 | 0 | 0 | 0 | 110.6 | R971 F973 G986 | R971-D984 IonicContact CZ-OD1 3.42Å; R971-D984 IonicContact CZ-OD2 3.26Å; R971-D984 IonicContact NE-OD1 3.6Å; R971-D984 PolarHBondContact NE-OD1 2.78Å; R971-D984 IonicContact NE-OD2 3.05Å; R971-D984 PolarHBondContact NE-OD2 2.9Å; R971-D984 IonicContact NH2-OD1 2.61Å; R971-D984 PolarHBondContact NH2-OD1 2.84Å; R971-D984 IonicContact NH2-OD2 3.46Å; R971-D984 PolarHBondContact NH2-OD2 3.39Å; F973-D984 HydrophobicContact CD1-CB 4.05Å; F973-D984 HydrophobicContact CE1-CB 3.8Å; D984-G986 PolarHBondContact OD1-N 3.06Å |
| 985 | L | 89.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -9.3 | -178.8 | -59.8 | -179.1 | 0 | 0 | 0 | 113.2 | Y965 V972 E974 V983 V997 A1001 | Y965-L985 HydrophobicContact CD1-CD1 3.75Å; Y965-L985 HydrophobicContact CE1-CD1 3.81Å; V972-L985 HydrophobicContact CB-CB 4.32Å; V972-L985 HydrophobicContact CG1-CB 4.43Å; V972-L985 HydrophobicContact CG1-CD1 4.08Å; V972-L985 WeakPolarHBondContact O-CB 3.38Å; V972-L985 PolarHBondContact O-N 2.96Å; E974-L985 HydrophobicContact CB-CD1 4.26Å; E974-L985 HydrophobicContact CB-CD2 4.42Å; E974-L985 HydrophobicContact CB-CG 4.36Å; V983-L985 HydrophobicContact CG1-CD2 4.22Å; L985-V997 HydrophobicContact CB-CG1 4.16Å; L985-A1001 HydrophobicContact CD1-CB 3.96Å; L985-A1001 HydrophobicContact CD2-CB 4.39Å |
| 986 | G | 86.3 | Confident | 85 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.8 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | R971 V972 D984 | R971-G986 WeakPolarHBondContact CA-O 3.48Å; V972-G986 PolarHBondContact N-O 2.83Å; D984-G986 PolarHBondContact OD1-N 3.06Å |
| 987 | T | 87.4 | Confident | 84.7 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 141.4 | 178.1 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | R971 P989 | R971-T987 HydrophobicContact CG-CG2 4.45Å; T987-P989 WeakPolarHBondContact O-CD 3.34Å |
| 988 | I | 86.7 | Confident | 84.8 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 124.2 | 169.5 | -57.5 | 167.1 | 0 | 0 | 0 | 107.6 | P967 G970 V972 W994 | P967-I988 HydrophobicContact CB-CD1 4.12Å; G970-I988 PolarHBondContact O-N 3.24Å; V972-I988 HydrophobicContact CG2-CD1 4.29Å; V972-I988 HydrophobicContact CG2-CG1 3.67Å; I988-W994 HydrophobicContact CD1-CB 3.7Å; I988-W994 HydrophobicContact CG1-CB 3.78Å; I988-W994 HydrophobicContact CG2-CB 4.36Å |
| 989 | P | 82.9 | Confident | 84.8 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.5 | 178.8 | -22.8 | 32.6 | 0 | 0 | 0 | 111.9 | T987 G991 G992 | T987-P989 WeakPolarHBondContact O-CD 3.34Å; P989-G991 PolarHBondContact O-N 3.24Å; P989-G991 VanDerWaalsContact O-N 3.12Å; P989-G992 WeakPolarHBondContact O-CA 3.43Å; P989-G992 PolarHBondContact O-N 3.17Å |
| 990 | D | 73.6 | Confident | 84.7 | Confident | 177 Ų | 177 | 55.2 Ų | 55.2 | 95% | 0.947 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 117.2 | 176.7 | -73.6 | -37.7 | 0 | 0 | 0 | 111 | G992 | D990-G992 PolarHBondContact O-N 3.08Š|
| 991 | G | 71.1 | Confident | 85.1 | Confident | 96 Ų | 96 | 53.3 Ų | 53.3 | 99% | 0.99 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 2.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P989 | P989-G991 PolarHBondContact O-N 3.24Å; P989-G991 VanDerWaalsContact O-N 3.12Å |
| 992 | G | 73 | Confident | 85.3 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | trans | -86.1 | 167.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P989 D990 | P989-G992 WeakPolarHBondContact O-CA 3.43Å; P989-G992 PolarHBondContact O-N 3.17Å; D990-G992 PolarHBondContact O-N 3.08Å | ||
| 993 | D | 82.8 | Confident | 85.1 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -100.3 | 134.2 | 174.9 | -169.2 | -9.6 | 0 | 0 | 0 | 110 | L995 G996 | D993-L995 PolarHBondContact O-N 3.23Å; D993-L995 PolarHBondContact OD1-N 2.91Å; D993-G996 PolarHBondContact O-N 2.82Å; D993-G996 VanDerWaalsContact O-N 3.07Å | ||
| 994 | W | 89.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 8% | 0.076 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -26.7 | 178.9 | 74.2 | -85.3 | 0 | 0 | 0 | 112.2 | V847 L850 P967 V972 I988 G996 V997 V998 | V847-W994 HydrophobicContact CB-CZ2 4.07Å; V847-W994 HydrophobicContact CG1-CH2 4.44Å; V847-W994 HydrophobicContact CG1-CZ2 3.86Å; V847-W994 WeakPolarHBondContact O-CZ2 3.28Å; V847-W994 PolarHBondContact O-NE1 3.4Å; L850-W994 HydrophobicContact CD1-CH2 4.18Å; L850-W994 HydrophobicContact CD1-CZ3 4.46Å; L850-W994 HydrophobicContact CG-CH2 3.93Å; P967-W994 HydrophobicContact CB-CB 4.09Å; P967-W994 HydrophobicContact CB-CD2 3.84Å; P967-W994 HydrophobicContact CB-CE3 4.25Å; P967-W994 HydrophobicContact CB-CG 3.73Å; P967-W994 HydrophobicContact CG-CD2 3.78Å; P967-W994 HydrophobicContact CG-CE3 4.28Å; P967-W994 HydrophobicContact CG-CG 4.02Å; P967-W994 HydrophobicContact CG-CZ2 4.17Å; V972-W994 HydrophobicContact CG1-CE3 4.09Å; V972-W994 HydrophobicContact CG2-CB 3.79Å; I988-W994 HydrophobicContact CD1-CB 3.7Å; I988-W994 HydrophobicContact CG1-CB 3.78Å; I988-W994 HydrophobicContact CG2-CB 4.36Å; W994-G996 PolarHBondContact O-N 3.26Å; W994-V997 WeakPolarHBondContact O-CB 3.37Å; W994-V997 PolarHBondContact O-N 2.78Å; W994-V997 VanDerWaalsContact O-N 3.08Å; W994-V998 HydrophobicContact CE3-CG2 3.52Å; W994-V998 HydrophobicContact CZ3-CG2 3.53Å; W994-V998 PolarHBondContact O-N 2.93Å |
| 995 | L | 89.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.2 | -30.5 | 174.8 | -65.1 | -179.9 | 0 | 0 | 0 | 112.7 | L839 V847 L850 D993 V998 H999 | L839-L995 HydrophobicContact CB-CB 4.46Å; L839-L995 HydrophobicContact CD2-CD2 4.38Å; L839-L995 WeakPolarHBondContact O-CD1 3.45Å; V847-L995 HydrophobicContact CB-CD1 4.38Å; V847-L995 HydrophobicContact CB-CD2 4.3Å; V847-L995 HydrophobicContact CG1-CD2 4.32Å; V847-L995 HydrophobicContact CG2-CD1 3.99Å; L850-L995 HydrophobicContact CD1-CD2 3.94Å; L850-L995 HydrophobicContact CG-CD2 4.38Å; D993-L995 PolarHBondContact O-N 3.23Å; D993-L995 PolarHBondContact OD1-N 2.91Å; L995-V998 PolarHBondContact O-N 3.47Å; L995-H999 WeakPolarHBondContact O-CB 3.36Å; L995-H999 PolarHBondContact O-N 2.9Å |
| 996 | G | 84.8 | Confident | 84.3 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D993 W994 | D993-G996 PolarHBondContact O-N 2.82Å; D993-G996 VanDerWaalsContact O-N 3.07Å; W994-G996 PolarHBondContact O-N 3.26Å |
| 997 | V | 86.1 | Confident | 84.1 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69 | -45 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V972 L985 W994 H999 G1000 | V972-V997 HydrophobicContact CB-CG1 4.22Å; V972-V997 HydrophobicContact CG2-CB 4.07Å; V972-V997 HydrophobicContact CG2-CG1 4.21Å; V972-V997 HydrophobicContact CG2-CG2 4.36Å; L985-V997 HydrophobicContact CB-CG1 4.16Å; W994-V997 WeakPolarHBondContact O-CB 3.37Å; W994-V997 PolarHBondContact O-N 2.78Å; W994-V997 VanDerWaalsContact O-N 3.08Å; V997-H999 PolarHBondContact O-N 2.98Å; V997-G1000 PolarHBondContact O-N 3.07Å |
| 998 | V | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | L850 Y965 V972 W994 L995 G1000 A1001 I1002 | L850-V998 HydrophobicContact CD1-CB 4.4Å; L850-V998 HydrophobicContact CD1-CG1 3.79Å; Y965-V998 HydrophobicContact CD1-CG1 3.94Å; Y965-V998 HydrophobicContact CD1-CG2 4.42Å; Y965-V998 HydrophobicContact CD2-CG1 4.03Å; Y965-V998 HydrophobicContact CE1-CG1 4.4Å; Y965-V998 HydrophobicContact CE2-CG1 4.49Å; Y965-V998 HydrophobicContact CG-CG1 3.74Å; Y965-V998 HydrophobicContact CG-CG2 4.46Å; V972-V998 HydrophobicContact CG1-CG2 3.41Å; V972-V998 VanDerWaalsContact CG1-CG2 3.41Å; W994-V998 HydrophobicContact CE3-CG2 3.52Å; W994-V998 HydrophobicContact CZ3-CG2 3.53Å; W994-V998 PolarHBondContact O-N 2.93Å; L995-V998 PolarHBondContact O-N 3.47Å; V998-G1000 PolarHBondContact O-N 3.2Å; V998-A1001 PolarHBondContact O-N 3.22Å; V998-I1002 HydrophobicContact CG1-CD1 3.48Å; V998-I1002 VanDerWaalsContact CG1-CD1 3.48Å; V998-I1002 HydrophobicContact CG1-CG1 3.75Å; V998-I1002 PolarHBondContact O-N 3.18Å |
| 999 | H | 88.2 | Confident | 83.1 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 27% | 0.269 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -50.7 | -46.7 | 177 | 175.7 | -75.9 | 0 | 0 | 0 | 111.3 | L836 L995 V997 A1003 | L836-H999 PolarHBondContact O-CD2 3.16Å; L995-H999 WeakPolarHBondContact O-CB 3.36Å; L995-H999 PolarHBondContact O-N 2.9Å; V997-H999 PolarHBondContact O-N 2.98Å; H999-A1003 WeakPolarHBondContact O-CB 3.39Å; H999-A1003 PolarHBondContact O-N 3.28Å |
| 1000 | G | 84.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V997 V998 A1004 | V997-G1000 PolarHBondContact O-N 3.07Å; V998-G1000 PolarHBondContact O-N 3.2Å; G1000-A1004 WeakPolarHBondContact O-CB 3.43Å; G1000-A1004 PolarHBondContact O-N 3.33Å |
| 1001 | A | 86.6 | Confident | 82.2 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L985 V998 A1004 K1005 | L985-A1001 HydrophobicContact CD1-CB 3.96Å; L985-A1001 HydrophobicContact CD2-CB 4.39Å; V998-A1001 PolarHBondContact O-N 3.22Å; A1001-A1004 PolarHBondContact O-N 2.77Å; A1001-K1005 PolarHBondContact O-N 2.93Å; A1001-K1005 VanDerWaalsContact O-N 3.14Å |
| 1002 | I | 88.7 | Confident | 82 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 178.3 | -61.8 | 178 | 0 | 0 | 0 | 110.3 | L836 L850 F852 Y965 V998 A1004 K1005 V1006 L1018 | L836-I1002 HydrophobicContact CD2-CB 4.22Å; L836-I1002 HydrophobicContact CD2-CG2 3.69Å; L850-I1002 HydrophobicContact CD1-CD1 4.29Å; F852-I1002 HydrophobicContact CD2-CG2 4.19Å; F852-I1002 HydrophobicContact CE2-CG2 3.92Å; F852-I1002 HydrophobicContact CZ-CG2 4.2Å; Y965-I1002 HydrophobicContact CD2-CD1 4.15Å; Y965-I1002 HydrophobicContact CD2-CG1 4.41Å; Y965-I1002 HydrophobicContact CE2-CD1 3.93Å; Y965-I1002 HydrophobicContact CE2-CG1 3.77Å; V998-I1002 HydrophobicContact CG1-CD1 3.48Å; V998-I1002 VanDerWaalsContact CG1-CD1 3.48Å; V998-I1002 HydrophobicContact CG1-CG1 3.75Å; V998-I1002 PolarHBondContact O-N 3.18Å; I1002-A1004 VanDerWaalsContact C-N 3.3Å; I1002-A1004 PolarHBondContact O-N 3.28Å; I1002-K1005 PolarHBondContact O-N 3.33Å; I1002-K1005 VanDerWaalsContact O-N 3.13Å; I1002-V1006 HydrophobicContact CG2-CG2 4.08Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.3Å; I1002-V1006 PolarHBondContact O-N 2.96Å; I1002-L1018 HydrophobicContact CD1-CD1 3.76Å; I1002-L1018 HydrophobicContact CD1-CD2 4.06Å |
| 1003 | A | 87.1 | Confident | 82.1 | Confident | 30 Ų | 30 | 52 Ų | 52 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L836 H999 K1005 V1006 E1007 | L836-A1003 HydrophobicContact CD1-CB 4.13Å; H999-A1003 WeakPolarHBondContact O-CB 3.39Å; H999-A1003 PolarHBondContact O-N 3.28Å; A1003-K1005 PolarHBondContact O-N 3.45Å; A1003-V1006 PolarHBondContact O-N 3.04Å; A1003-E1007 WeakPolarHBondContact O-CB 3.36Å; A1003-E1007 PolarHBondContact O-N 2.74Å |
| 1004 | A | 84.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1000 A1001 I1002 K1008 | G1000-A1004 WeakPolarHBondContact O-CB 3.43Å; G1000-A1004 PolarHBondContact O-N 3.33Å; A1001-A1004 PolarHBondContact O-N 2.77Å; I1002-A1004 VanDerWaalsContact C-N 3.3Å; I1002-A1004 PolarHBondContact O-N 3.28Å; A1004-K1008 WeakPolarHBondContact O-CB 3.18Å; A1004-K1008 PolarHBondContact O-N 3.18Å |
| 1005 | K | 83.7 | Confident | 81.3 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 174.5 | -72.3 | -175.5 | -167.1 | -120.9 | 0 | 111.6 | F852 I963 Y965 E974 A1001 I1002 A1003 E1007 K1008 Y1009 | F852-K1005 HydrophobicContact CE1-CB 4.47Å; I963-K1005 HydrophobicContact CD1-CD 4.43Å; Y965-K1005 WeakPolarHBondContact OH-CE 3.47Å; E974-K1005 VanDerWaalsContact CD-NZ 3.26Å; E974-K1005 IonicContact OE1-NZ 3.6Å; E974-K1005 PolarHBondContact OE1-NZ 2.82Å; E974-K1005 WeakPolarHBondContact OE2-CE 3.48Å; E974-K1005 IonicContact OE2-NZ 3.01Å; E974-K1005 PolarHBondContact OE2-NZ 3.48Å; E974-K1005 VanDerWaalsContact OE2-NZ 3.07Å; A1001-K1005 PolarHBondContact O-N 2.93Å; A1001-K1005 VanDerWaalsContact O-N 3.14Å; I1002-K1005 PolarHBondContact O-N 3.33Å; I1002-K1005 VanDerWaalsContact O-N 3.13Å; A1003-K1005 PolarHBondContact O-N 3.45Å; K1005-E1007 PolarHBondContact O-N 2.87Å; K1005-K1008 WeakPolarHBondContact O-CB 3.42Å; K1005-K1008 PolarHBondContact O-N 3.07Å; K1005-Y1009 HydrophobicContact CB-CE2 4.46Å; K1005-Y1009 WeakPolarHBondContact O-CD2 3.38Å; K1005-Y1009 PolarHBondContact O-N 3.36Å; K1005-Y1009 VanDerWaalsContact O-N 3.15Å |
| 1006 | V | 84 | Confident | 81.2 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | F852 I1002 A1003 K1008 Y1009 S1010 F1016 | F852-V1006 HydrophobicContact CE2-CG2 4.29Å; F852-V1006 HydrophobicContact CZ-CG2 3.96Å; I1002-V1006 HydrophobicContact CG2-CG2 4.08Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.3Å; I1002-V1006 PolarHBondContact O-N 2.96Å; A1003-V1006 PolarHBondContact O-N 3.04Å; V1006-K1008 PolarHBondContact O-N 2.78Å; V1006-Y1009 PolarHBondContact O-N 3.33Å; V1006-S1010 WeakPolarHBondContact O-CA 3.1Å; V1006-S1010 WeakPolarHBondContact O-CB 3.42Å; V1006-S1010 PolarHBondContact O-N 2.71Å; V1006-S1010 PolarHBondContact O-OG 2.8Å; V1006-F1016 HydrophobicContact CG1-CD2 4.27Å; V1006-F1016 HydrophobicContact CG1-CE2 4.09Å; V1006-F1016 HydrophobicContact CG2-CD1 4.36Å; V1006-F1016 HydrophobicContact CG2-CD2 4.49Å; V1006-F1016 HydrophobicContact CG2-CG 4.3Å |
| 1007 | E | 82.2 | Confident | 81.5 | Confident | 149 Ų | 149 | 61.1 Ų | 61.1 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 177.3 | -172.4 | 174 | -169.7 | 0 | 0 | 111.6 | A1003 K1005 Y1009 S1010 | A1003-E1007 WeakPolarHBondContact O-CB 3.36Å; A1003-E1007 PolarHBondContact O-N 2.74Å; K1005-E1007 PolarHBondContact O-N 2.87Å; E1007-Y1009 VanDerWaalsContact C-N 3.26Å; E1007-Y1009 PolarHBondContact O-N 3.18Å; E1007-S1010 PolarHBondContact O-N 3.21Å; E1007-S1010 PolarHBondContact O-OG 3.41Å |
| 1008 | K | 78.8 | Confident | 81.9 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.2 | -39.8 | 176.8 | -176.3 | -178.2 | 178.1 | -173.9 | 0 | 112.8 | T860 A1004 K1005 V1006 | T860-K1008 PolarHBondContact O-NZ 3.1Å; T860-K1008 VanDerWaalsContact O-NZ 3.09Å; A1004-K1008 WeakPolarHBondContact O-CB 3.18Å; A1004-K1008 PolarHBondContact O-N 3.18Å; K1005-K1008 WeakPolarHBondContact O-CB 3.42Å; K1005-K1008 PolarHBondContact O-N 3.07Å; V1006-K1008 PolarHBondContact O-N 2.78Å |
| 1009 | Y | 73.6 | Confident | 82.2 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -100.4 | -12.2 | -176 | -59.7 | -61.9 | 0 | 0 | 0 | 114.3 | F854 T860 K1005 V1006 E1007 S1011 E1012 E1013 F1016 | F854-Y1009 HydrophobicContact CD2-CE2 4.13Å; F854-Y1009 HydrophobicContact CE2-CE2 4.43Å; T860-Y1009 HydrophobicContact CG2-CE1 4.42Å; T860-Y1009 PolarHBondContact OG1-OH 3.34Å; K1005-Y1009 HydrophobicContact CB-CE2 4.46Å; K1005-Y1009 WeakPolarHBondContact O-CD2 3.38Å; K1005-Y1009 PolarHBondContact O-N 3.36Å; K1005-Y1009 VanDerWaalsContact O-N 3.15Å; V1006-Y1009 PolarHBondContact O-N 3.33Å; E1007-Y1009 VanDerWaalsContact C-N 3.26Å; E1007-Y1009 PolarHBondContact O-N 3.18Å; Y1009-S1011 PolarHBondContact O-N 2.9Å; Y1009-S1011 VanDerWaalsContact O-N 3.13Å; Y1009-E1012 PolarHBondContact O-N 2.8Å; Y1009-E1012 VanDerWaalsContact O-N 3.16Å; Y1009-E1013 PolarHBondContact O-N 3.43Å; Y1009-F1016 HydrophobicContact CD2-CE1 4.46Å |
| 1010 | S | 72.3 | Confident | 82.5 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | -172.3 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | V1006 E1007 E1012 E1013 | V1006-S1010 WeakPolarHBondContact O-CA 3.1Å; V1006-S1010 WeakPolarHBondContact O-CB 3.42Å; V1006-S1010 PolarHBondContact O-N 2.71Å; V1006-S1010 PolarHBondContact O-OG 2.8Å; E1007-S1010 PolarHBondContact O-N 3.21Å; E1007-S1010 PolarHBondContact O-OG 3.41Å; S1010-E1012 VanDerWaalsContact C-N 3.28Å; S1010-E1012 PolarHBondContact O-N 3.18Å; S1010-E1013 WeakPolarHBondContact CA-O 3.47Å |
| 1011 | S | 65.8 | Low | 83 | Confident | 108 Ų | 108 | 55.3 Ų | 55.3 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.8 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | Y1009 | Y1009-S1011 PolarHBondContact O-N 2.9Å; Y1009-S1011 VanDerWaalsContact O-N 3.13Å |
| 1012 | E | 67.4 | Low | 83.3 | Confident | 151 Ų | 151 | 54.4 Ų | 54.4 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -26.3 | -177.7 | -64.1 | -174.6 | 167.5 | 0 | 0 | 113.3 | Q857 Y1009 S1010 | Q857-E1012 PolarHBondContact NE2-OE2 3.17Å; Q857-E1012 VanDerWaalsContact NE2-OE2 3.11Å; Y1009-E1012 PolarHBondContact O-N 2.8Å; Y1009-E1012 VanDerWaalsContact O-N 3.16Å; S1010-E1012 VanDerWaalsContact C-N 3.28Å; S1010-E1012 PolarHBondContact O-N 3.18Å |
| 1013 | E | 74.7 | Confident | 83.4 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | trans | -135.4 | 136.8 | -170.7 | -173.5 | 56.7 | -100.3 | 0 | 0 | 112.4 | K855 Y1009 S1010 R1015 F1016 | K855-E1013 HydrophobicContact CB-CG 4.11Å; K855-E1013 HydrophobicContact CD-CG 4.32Å; K855-E1013 VanDerWaalsContact CD-OE2 3.26Å; K855-E1013 WeakPolarHBondContact CD-OE2 3.29Å; K855-E1013 IonicContact NZ-OE2 3Å; Y1009-E1013 PolarHBondContact O-N 3.43Å; S1010-E1013 WeakPolarHBondContact CA-O 3.47Å; E1013-R1015 HydrophobicContact CG-CB 4.33Å; E1013-R1015 VanDerWaalsContact OE1-CB 3.23Å; E1013-R1015 WeakPolarHBondContact OE1-CB 3.13Å; E1013-R1015 VanDerWaalsContact OE1-CG 3.29Å; E1013-R1015 WeakPolarHBondContact OE1-CG 3.46Å; E1013-R1015 IonicContact OE1-CZ 3.46Å; E1013-R1015 PolarHBondContact OE1-N 3.09Å; E1013-R1015 IonicContact OE1-NE 3.92Å; E1013-R1015 PolarHBondContact OE1-NE 3.49Å; E1013-R1015 IonicContact OE1-NH2 2.9Å; E1013-R1015 IonicContact OE2-CZ 2.71Å; E1013-R1015 IonicContact OE2-NE 3.36Å; E1013-R1015 PolarHBondContact OE2-NE 2.91Å; E1013-R1015 IonicContact OE2-NH2 2.69Å; E1013-R1015 PolarHBondContact OE2-NH2 3.41Å; E1013-F1016 WeakPolarHBondContact O-CE2 3.43Å | ||
| 1014 | I | 74 | Confident | 83.6 | Confident | 154 Ų | 154 | 56.4 Ų | 56.4 | 79% | 0.79 | 29% | 0.293 | S | S | * | . | trans | -110 | -11.6 | 175.8 | 61.4 | 168.5 | 0 | 0 | 0 | 112.5 | F1016 | I1014-F1016 PolarHBondContact O-N 3.02Å; I1014-F1016 VanDerWaalsContact O-N 3.14Å | ||
| 1015 | R | 82 | Confident | 83.8 | Confident | 117 Ų | 117 | 58 Ų | 58 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | trans | -83.8 | 88.4 | -175.6 | -66 | 171.9 | -74.2 | 166.9 | 6.9 | 110.8 | D958 Y960 E1013 | D958-R1015 IonicContact OD2-CZ 3.69Å; D958-R1015 IonicContact OD2-NH1 2.85Å; D958-R1015 PolarHBondContact OD2-NH1 2.85Å; D958-R1015 IonicContact OD2-NH2 3.33Å; D958-R1015 PolarHBondContact OD2-NH2 3.26Å; Y960-R1015 HydrophobicContact CE1-CB 4.07Å; Y960-R1015 VanDerWaalsContact OH-CD 3.24Å; Y960-R1015 WeakPolarHBondContact OH-CD 3.48Å; Y960-R1015 PolarHBondContact OH-NE 2.94Å; Y960-R1015 PolarHBondContact OH-NH1 3.02Å; Y960-R1015 PolarHBondContact OH-NH2 2.93Å; E1013-R1015 HydrophobicContact CG-CB 4.33Å; E1013-R1015 VanDerWaalsContact OE1-CB 3.23Å; E1013-R1015 WeakPolarHBondContact OE1-CB 3.13Å; E1013-R1015 VanDerWaalsContact OE1-CG 3.29Å; E1013-R1015 WeakPolarHBondContact OE1-CG 3.46Å; E1013-R1015 IonicContact OE1-CZ 3.46Å; E1013-R1015 PolarHBondContact OE1-N 3.09Å; E1013-R1015 IonicContact OE1-NE 3.92Å; E1013-R1015 PolarHBondContact OE1-NE 3.49Å; E1013-R1015 IonicContact OE1-NH2 2.9Å; E1013-R1015 IonicContact OE2-CZ 2.71Å; E1013-R1015 IonicContact OE2-NE 3.36Å; E1013-R1015 PolarHBondContact OE2-NE 2.91Å; E1013-R1015 IonicContact OE2-NH2 2.69Å; E1013-R1015 PolarHBondContact OE2-NH2 3.41Å | ||
| 1016 | F | 87.1 | Confident | 83.9 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 23% | 0.232 | 30% | 0.295 | C | S | . | . | trans | -117.1 | 149.4 | 167.4 | -54.1 | -80.3 | 0 | 0 | 0 | 109.4 | F852 L853 F854 V1006 Y1009 E1013 I1014 | F852-F1016 HydrophobicContact CE2-CB 4.02Å; F852-F1016 HydrophobicContact CE2-CD1 4.22Å; F852-F1016 HydrophobicContact CE2-CG 4.48Å; F852-F1016 HydrophobicContact CZ-CB 4.33Å; F852-F1016 AromaticContact CZ-CD1 3.66Å; F852-F1016 HydrophobicContact CZ-CD1 3.66Å; F852-F1016 HydrophobicContact CZ-CE1 4.44Å; F852-F1016 HydrophobicContact CZ-CG 4.31Å; L853-F1016 WeakPolarHBondContact O-CA 3.21Å; F854-F1016 HydrophobicContact CB-CD1 3.85Å; F854-F1016 HydrophobicContact CB-CE1 4.08Å; V1006-F1016 HydrophobicContact CG1-CD2 4.27Å; V1006-F1016 HydrophobicContact CG1-CE2 4.09Å; V1006-F1016 HydrophobicContact CG2-CD1 4.36Å; V1006-F1016 HydrophobicContact CG2-CD2 4.49Å; V1006-F1016 HydrophobicContact CG2-CG 4.3Å; Y1009-F1016 HydrophobicContact CD2-CE1 4.46Å; E1013-F1016 WeakPolarHBondContact O-CE2 3.43Å; I1014-F1016 PolarHBondContact O-N 3.02Å; I1014-F1016 VanDerWaalsContact O-N 3.14Å | ||
| 1017 | N | 91.6 | Very high | 84 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.1 | 165.9 | -167.2 | 19.4 | 0 | 0 | 0 | 110.5 | S795 E832 F852 L853 | S795-N1017 PolarHBondContact O-ND2 3.06Å; S795-N1017 PolarHBondContact OG-ND2 2.91Å; E832-N1017 PolarHBondContact OE1-OD1 3.23Å; F852-N1017 WeakPolarHBondContact CD2-O 3.31Å; L853-N1017 HydrophobicContact CB-CB 4.18Å; L853-N1017 PolarHBondContact N-O 3.32Å; L853-N1017 PolarHBondContact O-N 2.78Å; L853-N1017 VanDerWaalsContact O-N 3.08Å |
| 1018 | L | 94.3 | Very high | 84.3 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.3 | 176.4 | -176.5 | 63.2 | 0 | 0 | 0 | 109.2 | V833 L836 L839 L850 F852 I1002 | V833-L1018 HydrophobicContact CB-CB 4.13Å; V833-L1018 HydrophobicContact CB-CD2 3.93Å; V833-L1018 HydrophobicContact CB-CG 3.91Å; V833-L1018 HydrophobicContact CG1-CD2 3.86Å; V833-L1018 HydrophobicContact CG1-CG 4.41Å; V833-L1018 HydrophobicContact CG2-CD2 4.42Å; V833-L1018 HydrophobicContact CG2-CG 4.22Å; V833-L1018 PolarHBondContact N-O 3.43Å; L836-L1018 HydrophobicContact CD2-CD2 4.02Å; L839-L1018 HydrophobicContact CD1-CD2 3.94Å; L839-L1018 HydrophobicContact CD2-CD2 4.28Å; L839-L1018 HydrophobicContact CG-CD2 4.4Å; L850-L1018 HydrophobicContact CB-CD1 4.09Å; L850-L1018 HydrophobicContact CD2-CD1 4.43Å; F852-L1018 HydrophobicContact CB-CD1 4.06Å; F852-L1018 HydrophobicContact CD2-CB 4.39Å; F852-L1018 HydrophobicContact CD2-CD1 4.1Å; I1002-L1018 HydrophobicContact CD1-CD1 3.76Å; I1002-L1018 HydrophobicContact CD1-CD2 4.06Å |
| 1019 | M | 95.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.9 | 178.1 | -69.7 | -177.8 | -70 | 0 | 0 | 110.1 | P797 F800 V830 Q831 L850 I851 F962 | P797-M1019 HydrophobicContact CG-SD 4.48Å; F800-M1019 HydrophobicContact CD1-CE 4.28Å; F800-M1019 HydrophobicContact CD2-CE 3.78Å; F800-M1019 HydrophobicContact CD2-SD 4.1Å; F800-M1019 HydrophobicContact CE1-CE 4.14Å; F800-M1019 HydrophobicContact CE2-CE 3.62Å; F800-M1019 HydrophobicContact CE2-SD 4.48Å; F800-M1019 HydrophobicContact CG-CE 4.12Å; F800-M1019 HydrophobicContact CG-SD 4.37Å; F800-M1019 HydrophobicContact CZ-CE 3.81Å; V830-M1019 HydrophobicContact CG1-CB 3.7Å; V830-M1019 HydrophobicContact CG1-CG 4.13Å; V830-M1019 HydrophobicContact CG1-SD 3.92Å; Q831-M1019 CarbonylContact O-C 3.51Å; Q831-M1019 VanDerWaalsContact O-CA 3.31Å; Q831-M1019 WeakPolarHBondContact O-CA 3.18Å; L850-M1019 CarbonylContact C-O 3.5Å; L850-M1019 WeakPolarHBondContact CA-O 3.38Å; I851-M1019 HydrophobicContact CB-CB 4.45Å; I851-M1019 HydrophobicContact CG2-CE 4.11Å; I851-M1019 PolarHBondContact N-O 2.72Å; I851-M1019 PolarHBondContact O-N 2.74Å; F962-M1019 HydrophobicContact CE1-CE 4.05Å |
| 1020 | A | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V830 Q831 V833 M844 V847 L850 V1022 | V830-A1020 WeakPolarHBondContact CA-O 3.36Å; Q831-A1020 PolarHBondContact N-O 3.28Å; Q831-A1020 PolarHBondContact O-N 3.17Å; V833-A1020 HydrophobicContact CG2-CB 3.72Å; M844-A1020 HydrophobicContact CE-CB 3.61Å; V847-A1020 HydrophobicContact CG1-CB 3.99Å; L850-A1020 HydrophobicContact CD2-CB 3.7Å; A1020-V1022 HydrophobicContact CB-CG1 4.04Å |
| 1021 | I | 94.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.2 | 168.1 | -52.9 | -162.2 | 0 | 0 | 0 | 107.7 | I804 A828 E829 V830 Y848 G849 I851 L890 L893 | I804-I1021 HydrophobicContact CD1-CD1 4.3Å; I804-I1021 HydrophobicContact CD1-CG2 4.38Å; A828-I1021 HydrophobicContact CB-CG2 3.91Å; E829-I1021 WeakPolarHBondContact O-CA 3.21Å; V830-I1021 HydrophobicContact CG2-CG1 4.24Å; Y848-I1021 HydrophobicContact CD2-CG2 4.17Å; Y848-I1021 PolarHBondContact N-O 3.4Å; G849-I1021 PolarHBondContact O-N 3Å; I851-I1021 HydrophobicContact CD1-CD1 4.11Å; L890-I1021 HydrophobicContact CD1-CD1 3.39Å; L893-I1021 HydrophobicContact CB-CD1 4.39Å; L893-I1021 HydrophobicContact CD1-CB 4.28Å; L893-I1021 HydrophobicContact CD1-CD1 3.37Å; L893-I1021 HydrophobicContact CD1-CG1 3.67Å; L893-I1021 HydrophobicContact CD2-CB 4.26Å; L893-I1021 HydrophobicContact CD2-CD1 3.72Å; L893-I1021 HydrophobicContact CD2-CG1 4.32Å; L893-I1021 HydrophobicContact CG-CD1 3.99Å |
| 1022 | V | 93 | Very high | 87.4 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.4 | -171.2 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | A828 E829 Q831 V847 A1020 E1024 | A828-V1022 WeakPolarHBondContact CA-O 3.4Å; E829-V1022 HydrophobicContact CG-CG2 3.73Å; E829-V1022 PolarHBondContact N-O 3.41Å; E829-V1022 PolarHBondContact O-N 3.43Å; Q831-V1022 HydrophobicContact CB-CG2 4.48Å; Q831-V1022 HydrophobicContact CG-CG2 3.96Å; V847-V1022 HydrophobicContact CG2-CG1 4.16Å; A1020-V1022 HydrophobicContact CB-CG1 4.04Å; V1022-E1024 PolarHBondContact O-N 3.23Å |
| 1023 | P | 91.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 16% | 0.156 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 139.7 | 172 | -24.3 | 30.6 | 0 | 0 | 0 | 112.2 | G827 E846 Y848 K1025 V1028 | G827-P1023 WeakPolarHBondContact O-CA 3.29Å; E846-P1023 HydrophobicContact CB-CG 4.05Å; E846-P1023 WeakPolarHBondContact O-CD 3.48Å; Y848-P1023 HydrophobicContact CE1-CG 4.23Å; Y848-P1023 HydrophobicContact CE2-CB 4.47Å; Y848-P1023 HydrophobicContact CE2-CG 4.17Å; P1023-K1025 PolarHBondContact O-N 2.64Å; P1023-V1028 HydrophobicContact CB-CG2 3.98Å |
| 1024 | E | 90.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 26% | 0.259 | C | S | . | . | trans | -59.3 | 110.1 | 174.7 | -177.4 | -175.2 | -170.3 | 0 | 0 | 110.4 | G827 E829 V1022 K1026 G1027 V1028 | G827-E1024 PolarHBondContact O-N 3.01Å; G827-E1024 VanDerWaalsContact O-N 3.09Å; E829-E1024 WeakPolarHBondContact OE2-CA 3.45Å; V1022-E1024 PolarHBondContact O-N 3.23Å; E1024-K1026 VanDerWaalsContact C-N 3.32Å; E1024-K1026 PolarHBondContact O-N 2.91Å; E1024-G1027 PolarHBondContact O-N 3.14Å; E1024-G1027 VanDerWaalsContact O-N 3.15Å; E1024-V1028 WeakPolarHBondContact O-CG2 3.28Å; E1024-V1028 PolarHBondContact O-N 3Å; E1024-V1028 VanDerWaalsContact O-N 3.12Å | ||
| 1025 | K | 89.3 | Confident | 89.8 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 39% | 0.391 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | -170.5 | -82.2 | -179.5 | 165.3 | 158.8 | 0 | 111.9 | E829 Q831 P1023 G1027 V1028 L1029 E1058 | E829-K1025 PolarHBondContact OE2-N 3.29Å; Q831-K1025 VanDerWaalsContact NE2-CD 3.26Å; P1023-K1025 PolarHBondContact O-N 2.64Å; K1025-G1027 PolarHBondContact O-N 2.96Å; K1025-V1028 PolarHBondContact O-N 3.01Å; K1025-L1029 WeakPolarHBondContact O-CB 3.48Å; K1025-L1029 VanDerWaalsContact O-CG 3.29Å; K1025-L1029 WeakPolarHBondContact O-CG 3.49Å; K1025-L1029 PolarHBondContact O-N 3.37Å; K1025-E1058 HydrophobicContact CB-CG 4.41Å |
| 1026 | K | 87.2 | Confident | 89.9 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -48.1 | 178.1 | -176.7 | 175.8 | 174.6 | 174.1 | 0 | 111.6 | E1024 V1028 L1029 V1030 E1058 D1059 L1062 | E1024-K1026 VanDerWaalsContact C-N 3.32Å; E1024-K1026 PolarHBondContact O-N 2.91Å; K1026-V1028 VanDerWaalsContact C-N 3.32Å; K1026-V1028 PolarHBondContact O-N 2.84Å; K1026-L1029 PolarHBondContact O-N 3Å; K1026-V1030 HydrophobicContact CG-CG2 4.25Å; K1026-V1030 WeakPolarHBondContact O-CB 3.25Å; K1026-V1030 VanDerWaalsContact O-CG2 3.24Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.33Å; K1026-V1030 PolarHBondContact O-N 3.48Å; K1026-E1058 HydrophobicContact CB-CG 3.85Å; K1026-D1059 WeakPolarHBondContact CE-OD1 3.45Å; K1026-D1059 IonicContact NZ-OD1 4Å; K1026-D1059 PolarHBondContact NZ-OD1 3.44Å; K1026-L1062 HydrophobicContact CD-CD1 4.06Å |
| 1027 | G | 85.6 | Confident | 89.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1024 K1025 K1031 | E1024-G1027 PolarHBondContact O-N 3.14Å; E1024-G1027 VanDerWaalsContact O-N 3.15Å; K1025-G1027 PolarHBondContact O-N 2.96Å; G1027-K1031 WeakPolarHBondContact O-CG 3.32Å; G1027-K1031 PolarHBondContact O-N 2.95Å |
| 1028 | V | 87.7 | Confident | 89.4 | Confident | 76 Ų | 76 | 57 Ų | 57 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | P1023 E1024 K1025 K1026 V1030 K1031 R1032 | P1023-V1028 HydrophobicContact CB-CG2 3.98Å; E1024-V1028 WeakPolarHBondContact O-CG2 3.28Å; E1024-V1028 PolarHBondContact O-N 3Å; E1024-V1028 VanDerWaalsContact O-N 3.12Å; K1025-V1028 PolarHBondContact O-N 3.01Å; K1026-V1028 VanDerWaalsContact C-N 3.32Å; K1026-V1028 PolarHBondContact O-N 2.84Å; V1028-V1030 PolarHBondContact O-N 3.28Å; V1028-K1031 PolarHBondContact O-N 3.08Å; V1028-R1032 PolarHBondContact O-N 2.78Å |
| 1029 | L | 89.5 | Confident | 89 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | -180 | -69.5 | 172.3 | 0 | 0 | 0 | 112.2 | K1025 K1026 R1032 L1033 L1051 E1054 I1055 | K1025-L1029 WeakPolarHBondContact O-CB 3.48Å; K1025-L1029 VanDerWaalsContact O-CG 3.29Å; K1025-L1029 WeakPolarHBondContact O-CG 3.49Å; K1025-L1029 PolarHBondContact O-N 3.37Å; K1026-L1029 PolarHBondContact O-N 3Å; L1029-R1032 PolarHBondContact O-N 2.65Å; L1029-L1033 VanDerWaalsContact O-CB 3.31Å; L1029-L1033 WeakPolarHBondContact O-CB 3.49Å; L1029-L1033 PolarHBondContact O-N 2.84Å; L1029-L1051 HydrophobicContact CD2-CD2 3.77Å; L1029-E1054 HydrophobicContact CD1-CB 3.85Å; L1029-E1054 HydrophobicContact CD2-CB 4.45Å; L1029-E1054 WeakPolarHBondContact CD2-OE2 3.46Å; L1029-I1055 HydrophobicContact CB-CD1 4.13Å; L1029-I1055 HydrophobicContact CB-CG1 3.56Å; L1029-I1055 HydrophobicContact CD1-CG1 4.23Å |
| 1030 | V | 89.2 | Confident | 88.2 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 177 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | K1026 V1028 R1032 L1033 Q1034 I1055 | K1026-V1030 HydrophobicContact CG-CG2 4.25Å; K1026-V1030 WeakPolarHBondContact O-CB 3.25Å; K1026-V1030 VanDerWaalsContact O-CG2 3.24Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.33Å; K1026-V1030 PolarHBondContact O-N 3.48Å; V1028-V1030 PolarHBondContact O-N 3.28Å; V1030-R1032 PolarHBondContact O-N 2.87Å; V1030-L1033 PolarHBondContact O-N 3.39Å; V1030-Q1034 HydrophobicContact CG1-CG 4.47Å; V1030-Q1034 WeakPolarHBondContact O-CB 3.2Å; V1030-Q1034 VanDerWaalsContact O-CG 3.3Å; V1030-Q1034 WeakPolarHBondContact O-CG 3.37Å; V1030-Q1034 PolarHBondContact O-N 3.19Å; V1030-I1055 HydrophobicContact CG2-CD1 3.96Å; V1030-I1055 HydrophobicContact CG2-CG1 4.33Å; V1030-I1055 HydrophobicContact CG2-CG2 4.38Å |
| 1031 | K | 87.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 173.8 | -77.1 | 177.7 | 179.6 | 176.6 | 0 | 110.8 | D901 G1027 V1028 L1033 Q1034 E1035 | D901-K1031 IonicContact OD1-NZ 2.83Å; D901-K1031 PolarHBondContact OD1-NZ 3.17Å; G1027-K1031 WeakPolarHBondContact O-CG 3.32Å; G1027-K1031 PolarHBondContact O-N 2.95Å; V1028-K1031 PolarHBondContact O-N 3.08Å; K1031-L1033 PolarHBondContact O-N 3.28Å; K1031-Q1034 WeakPolarHBondContact O-CB 3.25Å; K1031-Q1034 PolarHBondContact O-N 3.18Å; K1031-E1035 WeakPolarHBondContact O-CG 3.47Å; K1031-E1035 PolarHBondContact O-N 2.59Å |
| 1032 | R | 88.9 | Confident | 87.3 | Confident | 137 Ų | 137 | 76.9 Ų | 76.9 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 178.4 | -168.9 | 175 | -177.8 | 179.2 | 1 | 112.9 | V1028 L1029 V1030 E1035 M1036 L1051 | V1028-R1032 PolarHBondContact O-N 2.78Å; L1029-R1032 PolarHBondContact O-N 2.65Å; V1030-R1032 PolarHBondContact O-N 2.87Å; R1032-E1035 PolarHBondContact O-N 3.27Å; R1032-M1036 HydrophobicContact CG-CE 4.43Å; R1032-M1036 PolarHBondContact O-N 3.39Å; R1032-L1051 HydrophobicContact CB-CD1 4.5Å; R1032-L1051 HydrophobicContact CG-CD1 4.06Å |
| 1033 | L | 89.5 | Confident | 86.9 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.7 | 177.9 | 65.3 | 0 | 0 | 0 | 111 | L1029 V1030 K1031 E1035 M1036 I1037 V1048 L1051 Q1052 I1055 | L1029-L1033 VanDerWaalsContact O-CB 3.31Å; L1029-L1033 WeakPolarHBondContact O-CB 3.49Å; L1029-L1033 PolarHBondContact O-N 2.84Å; V1030-L1033 PolarHBondContact O-N 3.39Å; K1031-L1033 PolarHBondContact O-N 3.28Å; L1033-E1035 VanDerWaalsContact C-N 3.35Å; L1033-E1035 PolarHBondContact O-N 2.59Å; L1033-M1036 PolarHBondContact O-N 3.32Å; L1033-I1037 HydrophobicContact CD1-CD1 3.91Å; L1033-I1037 HydrophobicContact CD1-CG1 4.24Å; L1033-I1037 HydrophobicContact CD2-CD1 4.44Å; L1033-I1037 HydrophobicContact CG-CD1 3.8Å; L1033-I1037 HydrophobicContact CG-CG1 4.48Å; L1033-I1037 WeakPolarHBondContact O-CB 3.49Å; L1033-I1037 VanDerWaalsContact O-CG1 3.25Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.47Å; L1033-I1037 PolarHBondContact O-N 3.34Å; L1033-V1048 HydrophobicContact CD1-CB 4.44Å; L1033-V1048 HydrophobicContact CD1-CG1 3.8Å; L1033-L1051 HydrophobicContact CB-CD1 4.42Å; L1033-L1051 HydrophobicContact CD1-CB 4.23Å; L1033-Q1052 HydrophobicContact CD1-CG 4.06Å; L1033-Q1052 HydrophobicContact CD2-CG 3.96Å; L1033-I1055 HydrophobicContact CB-CD1 4.11Å; L1033-I1055 HydrophobicContact CD2-CD1 3.59Å; L1033-I1055 HydrophobicContact CG-CD1 4.45Å |
| 1034 | Q | 88.2 | Confident | 86.7 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.2 | -73.7 | 175 | -2.6 | 0 | 0 | 112 | V1030 K1031 I1037 K1038 | V1030-Q1034 HydrophobicContact CG1-CG 4.47Å; V1030-Q1034 WeakPolarHBondContact O-CB 3.2Å; V1030-Q1034 VanDerWaalsContact O-CG 3.3Å; V1030-Q1034 WeakPolarHBondContact O-CG 3.37Å; V1030-Q1034 PolarHBondContact O-N 3.19Å; K1031-Q1034 WeakPolarHBondContact O-CB 3.25Å; K1031-Q1034 PolarHBondContact O-N 3.18Å; Q1034-I1037 PolarHBondContact O-N 2.98Å; Q1034-K1038 VanDerWaalsContact O-CG 3.27Å; Q1034-K1038 WeakPolarHBondContact O-CG 3.3Å; Q1034-K1038 PolarHBondContact O-N 3.24Å |
| 1035 | E | 88.5 | Confident | 86.4 | Confident | 126 Ų | 126 | 81.1 Ų | 81.1 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 175.2 | -72.5 | 172.7 | 178.1 | 0 | 0 | 111.9 | K1031 R1032 L1033 K1038 V1039 | K1031-E1035 WeakPolarHBondContact O-CG 3.47Å; K1031-E1035 PolarHBondContact O-N 2.59Å; R1032-E1035 PolarHBondContact O-N 3.27Å; L1033-E1035 VanDerWaalsContact C-N 3.35Å; L1033-E1035 PolarHBondContact O-N 2.59Å; E1035-K1038 WeakPolarHBondContact O-CB 3.43Å; E1035-K1038 PolarHBondContact O-N 3.11Å; E1035-V1039 PolarHBondContact O-N 2.92Å |
| 1036 | M | 84.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 83.4 Ų | 83.4 | 13% | 0.133 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.8 | -78.1 | -172 | -174.3 | 0 | 0 | 112.9 | R1032 L1033 K1038 V1039 Q1047 V1048 L1051 | R1032-M1036 HydrophobicContact CG-CE 4.43Å; R1032-M1036 PolarHBondContact O-N 3.39Å; L1033-M1036 PolarHBondContact O-N 3.32Å; M1036-K1038 VanDerWaalsContact C-N 3.26Å; M1036-K1038 PolarHBondContact O-N 2.89Å; M1036-V1039 PolarHBondContact O-N 2.88Å; M1036-V1039 VanDerWaalsContact O-N 3.17Å; M1036-Q1047 HydrophobicContact CE-CB 4.4Å; M1036-Q1047 HydrophobicContact SD-CB 4.09Å; M1036-V1048 HydrophobicContact CB-CG2 4.05Å; M1036-V1048 HydrophobicContact SD-CG2 4.44Å; M1036-L1051 HydrophobicContact CE-CD1 3.95Å; M1036-L1051 HydrophobicContact CG-CD1 4.46Å; M1036-L1051 HydrophobicContact SD-CD1 3.44Å; M1036-L1051 WeakPolarHBondContact SD-CD1 3.46Å |
| 1037 | I | 84 | Confident | 86.3 | Confident | 93 Ų | 93 | 84.9 Ų | 84.9 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 177.2 | -70.5 | 170 | 0 | 0 | 0 | 110.7 | L1033 Q1034 V1039 N1040 | L1033-I1037 HydrophobicContact CD1-CD1 3.91Å; L1033-I1037 HydrophobicContact CD1-CG1 4.24Å; L1033-I1037 HydrophobicContact CD2-CD1 4.44Å; L1033-I1037 HydrophobicContact CG-CD1 3.8Å; L1033-I1037 HydrophobicContact CG-CG1 4.48Å; L1033-I1037 WeakPolarHBondContact O-CB 3.49Å; L1033-I1037 VanDerWaalsContact O-CG1 3.25Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.47Å; L1033-I1037 PolarHBondContact O-N 3.34Å; Q1034-I1037 PolarHBondContact O-N 2.98Å; I1037-V1039 VanDerWaalsContact C-N 3.31Å; I1037-V1039 PolarHBondContact O-N 3.1Å; I1037-N1040 PolarHBondContact O-N 3.01Å |
| 1038 | K | 83.7 | Confident | 86.4 | Confident | 165 Ų | 165 | 84.8 Ų | 84.8 | 72% | 0.717 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.4 | -31.4 | 175.7 | -75.4 | 171.9 | -174.2 | 176.3 | 0 | 113.4 | Q1034 E1035 M1036 N1040 | Q1034-K1038 VanDerWaalsContact O-CG 3.27Å; Q1034-K1038 WeakPolarHBondContact O-CG 3.3Å; Q1034-K1038 PolarHBondContact O-N 3.24Å; E1035-K1038 WeakPolarHBondContact O-CB 3.43Å; E1035-K1038 PolarHBondContact O-N 3.11Å; M1036-K1038 VanDerWaalsContact C-N 3.26Å; M1036-K1038 PolarHBondContact O-N 2.89Å; K1038-N1040 PolarHBondContact O-N 3.15Å |
| 1039 | V | 85.8 | Confident | 86.4 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.8 | -29.9 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | E1035 M1036 I1037 D1041 L1044 | E1035-V1039 PolarHBondContact O-N 2.92Å; M1036-V1039 PolarHBondContact O-N 2.88Å; M1036-V1039 VanDerWaalsContact O-N 3.17Å; I1037-V1039 VanDerWaalsContact C-N 3.31Å; I1037-V1039 PolarHBondContact O-N 3.1Å; V1039-D1041 HydrophobicContact CG1-CB 4.01Å; V1039-D1041 PolarHBondContact O-N 3.18Å; V1039-L1044 HydrophobicContact CB-CD1 4.13Å; V1039-L1044 HydrophobicContact CG1-CD1 4.01Å |
| 1040 | N | 79.7 | Confident | 86.5 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 75% | 0.754 | 45% | 0.451 | S | S | * | . | trans | 51 | 37.2 | 176.8 | -163.3 | 43.7 | 0 | 0 | 0 | 113.8 | I1037 K1038 | I1037-N1040 PolarHBondContact O-N 3.01Å; K1038-N1040 PolarHBondContact O-N 3.15Å | ||
| 1041 | D | 86.5 | Confident | 86.5 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | trans | -93.7 | 119.6 | 176.1 | -177.1 | -6.6 | 0 | 0 | 0 | 110.1 | V1039 A1043 L1044 | V1039-D1041 HydrophobicContact CG1-CB 4.01Å; V1039-D1041 PolarHBondContact O-N 3.18Å; D1041-A1043 PolarHBondContact O-N 2.92Å; D1041-A1043 VanDerWaalsContact O-N 3.13Å; D1041-A1043 WeakPolarHBondContact OD1-CB 3.19Å; D1041-A1043 PolarHBondContact OD1-N 3.2Å; D1041-L1044 HydrophobicContact CB-CD1 4.04Å; D1041-L1044 HydrophobicContact CB-CG 4.22Å; D1041-L1044 WeakPolarHBondContact O-CB 3.39Å; D1041-L1044 PolarHBondContact O-N 2.87Å | ||
| 1042 | P | 82.6 | Confident | 86.7 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -55.1 | -27.7 | 176.2 | -23.7 | 32.8 | 0 | 0 | 0 | 114.1 | L1044 A1045 | P1042-L1044 PolarHBondContact O-N 3.23Å; P1042-A1045 WeakPolarHBondContact O-CB 3.48Å; P1042-A1045 PolarHBondContact O-N 2.86Å |
| 1043 | A | 86 | Confident | 86.8 | Confident | 77 Ų | 77 | 83 Ų | 83 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -65.5 | -18.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1041 | D1041-A1043 PolarHBondContact O-N 2.92Å; D1041-A1043 VanDerWaalsContact O-N 3.13Å; D1041-A1043 WeakPolarHBondContact OD1-CB 3.19Å; D1041-A1043 PolarHBondContact OD1-N 3.2Å |
| 1044 | L | 86.4 | Confident | 87 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 17% | 0.168 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -88.3 | -1.7 | 178 | -64.5 | 172.3 | 0 | 0 | 0 | 113.4 | V1039 D1041 P1042 D1046 Q1047 V1048 | V1039-L1044 HydrophobicContact CB-CD1 4.13Å; V1039-L1044 HydrophobicContact CG1-CD1 4.01Å; D1041-L1044 HydrophobicContact CB-CD1 4.04Å; D1041-L1044 HydrophobicContact CB-CG 4.22Å; D1041-L1044 WeakPolarHBondContact O-CB 3.39Å; D1041-L1044 PolarHBondContact O-N 2.87Å; P1042-L1044 PolarHBondContact O-N 3.23Å; L1044-D1046 VanDerWaalsContact C-N 3.29Å; L1044-D1046 PolarHBondContact O-N 3.48Å; L1044-Q1047 PolarHBondContact O-N 2.93Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.2Å; L1044-V1048 PolarHBondContact O-N 3.05Å |
| 1045 | A | 84.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -54.6 | -41.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1042 V1048 A1049 | P1042-A1045 WeakPolarHBondContact O-CB 3.48Å; P1042-A1045 PolarHBondContact O-N 2.86Å; A1045-V1048 PolarHBondContact O-N 3.07Å; A1045-A1049 WeakPolarHBondContact O-CB 3.45Å; A1045-A1049 PolarHBondContact O-N 3.3Å |
| 1046 | D | 86.9 | Confident | 87.3 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 177.9 | -71.4 | -25.6 | 0 | 0 | 0 | 112.5 | L1044 A1049 A1050 | L1044-D1046 VanDerWaalsContact C-N 3.29Å; L1044-D1046 PolarHBondContact O-N 3.48Å; D1046-A1049 PolarHBondContact O-N 3.26Å; D1046-A1050 WeakPolarHBondContact O-CB 3.5Å; D1046-A1050 PolarHBondContact O-N 2.95Å |
| 1047 | Q | 87.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | 177.1 | -62.1 | -177.5 | 28.3 | 0 | 0 | 111.2 | M1036 L1044 A1049 A1050 L1051 | M1036-Q1047 HydrophobicContact CE-CB 4.4Å; M1036-Q1047 HydrophobicContact SD-CB 4.09Å; L1044-Q1047 PolarHBondContact O-N 2.93Å; Q1047-A1049 VanDerWaalsContact C-N 3.34Å; Q1047-A1049 PolarHBondContact O-N 3.36Å; Q1047-A1050 WeakPolarHBondContact O-CB 3.01Å; Q1047-A1050 PolarHBondContact O-N 3.06Å; Q1047-L1051 PolarHBondContact O-N 2.67Å |
| 1048 | V | 87.3 | Confident | 87.9 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 15% | 0.152 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 173 | 168.1 | 0 | 0 | 0 | 0 | 110.3 | L1033 M1036 L1044 A1045 A1050 L1051 Q1052 | L1033-V1048 HydrophobicContact CD1-CB 4.44Å; L1033-V1048 HydrophobicContact CD1-CG1 3.8Å; M1036-V1048 HydrophobicContact CB-CG2 4.05Å; M1036-V1048 HydrophobicContact SD-CG2 4.44Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.2Å; L1044-V1048 PolarHBondContact O-N 3.05Å; A1045-V1048 PolarHBondContact O-N 3.07Å; V1048-A1050 VanDerWaalsContact C-N 3.33Å; V1048-A1050 PolarHBondContact O-N 2.87Å; V1048-L1051 PolarHBondContact O-N 3.46Å; V1048-Q1052 WeakPolarHBondContact O-CB 3.38Å; V1048-Q1052 WeakPolarHBondContact O-CG 3.45Å; V1048-Q1052 PolarHBondContact O-N 3.31Å |
| 1049 | A | 87.6 | Confident | 88.2 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1045 D1046 Q1047 R1053 | A1045-A1049 WeakPolarHBondContact O-CB 3.45Å; A1045-A1049 PolarHBondContact O-N 3.3Å; D1046-A1049 PolarHBondContact O-N 3.26Å; Q1047-A1049 VanDerWaalsContact C-N 3.34Å; Q1047-A1049 PolarHBondContact O-N 3.36Å; A1049-R1053 WeakPolarHBondContact O-CG 3.46Å; A1049-R1053 PolarHBondContact O-N 2.67Å; A1049-R1053 PolarHBondContact O-NE 3.44Å |
| 1050 | A | 90.7 | Very high | 88.6 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1046 Q1047 V1048 Q1052 R1053 E1054 | D1046-A1050 WeakPolarHBondContact O-CB 3.5Å; D1046-A1050 PolarHBondContact O-N 2.95Å; Q1047-A1050 WeakPolarHBondContact O-CB 3.01Å; Q1047-A1050 PolarHBondContact O-N 3.06Å; V1048-A1050 VanDerWaalsContact C-N 3.33Å; V1048-A1050 PolarHBondContact O-N 2.87Å; A1050-Q1052 PolarHBondContact O-N 3.26Å; A1050-R1053 WeakPolarHBondContact O-CB 3.39Å; A1050-R1053 PolarHBondContact O-N 2.67Å; A1050-R1053 VanDerWaalsContact O-N 3.12Å; A1050-E1054 PolarHBondContact O-N 3.09Å |
| 1051 | L | 90.7 | Very high | 89.1 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.8 | -74.1 | 175.1 | 0 | 0 | 0 | 112.4 | L1029 R1032 L1033 M1036 Q1047 V1048 R1053 E1054 I1055 | L1029-L1051 HydrophobicContact CD2-CD2 3.77Å; R1032-L1051 HydrophobicContact CB-CD1 4.5Å; R1032-L1051 HydrophobicContact CG-CD1 4.06Å; L1033-L1051 HydrophobicContact CB-CD1 4.42Å; L1033-L1051 HydrophobicContact CD1-CB 4.23Å; M1036-L1051 HydrophobicContact CE-CD1 3.95Å; M1036-L1051 HydrophobicContact CG-CD1 4.46Å; M1036-L1051 HydrophobicContact SD-CD1 3.44Å; M1036-L1051 WeakPolarHBondContact SD-CD1 3.46Å; Q1047-L1051 PolarHBondContact O-N 2.67Å; V1048-L1051 PolarHBondContact O-N 3.46Å; L1051-R1053 VanDerWaalsContact C-N 3.3Å; L1051-R1053 PolarHBondContact O-N 3.41Å; L1051-E1054 PolarHBondContact O-N 3.01Å; L1051-I1055 VanDerWaalsContact O-CG1 3.31Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.04Å; L1051-I1055 PolarHBondContact O-N 3.15Å |
| 1052 | Q | 91 | Very high | 89.2 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 175.6 | -75.1 | 176 | -14.7 | 0 | 0 | 112.3 | L1033 V1048 A1050 A1056 | L1033-Q1052 HydrophobicContact CD1-CG 4.06Å; L1033-Q1052 HydrophobicContact CD2-CG 3.96Å; V1048-Q1052 WeakPolarHBondContact O-CB 3.38Å; V1048-Q1052 WeakPolarHBondContact O-CG 3.45Å; V1048-Q1052 PolarHBondContact O-N 3.31Å; A1050-Q1052 PolarHBondContact O-N 3.26Å; Q1052-A1056 WeakPolarHBondContact O-CB 3.42Å; Q1052-A1056 PolarHBondContact O-N 2.94Å |
| 1053 | R | 91.9 | Very high | 89.6 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 174.5 | -75.4 | -176.9 | -67.1 | 170.6 | 0.1 | 112.1 | A1049 A1050 L1051 A1056 N1057 | A1049-R1053 WeakPolarHBondContact O-CG 3.46Å; A1049-R1053 PolarHBondContact O-N 2.67Å; A1049-R1053 PolarHBondContact O-NE 3.44Å; A1050-R1053 WeakPolarHBondContact O-CB 3.39Å; A1050-R1053 PolarHBondContact O-N 2.67Å; A1050-R1053 VanDerWaalsContact O-N 3.12Å; L1051-R1053 VanDerWaalsContact C-N 3.3Å; L1051-R1053 PolarHBondContact O-N 3.41Å; R1053-A1056 PolarHBondContact O-N 2.96Å; R1053-N1057 VanDerWaalsContact O-CG 3.26Å; R1053-N1057 PolarHBondContact O-N 3.5Å; R1053-N1057 PolarHBondContact O-ND2 2.98Å |
| 1054 | E | 91.9 | Very high | 89.8 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.8 | -71.8 | 178 | -158.3 | 0 | 0 | 111.9 | L1029 A1050 L1051 A1056 N1057 E1058 | L1029-E1054 HydrophobicContact CD1-CB 3.85Å; L1029-E1054 HydrophobicContact CD2-CB 4.45Å; L1029-E1054 WeakPolarHBondContact CD2-OE2 3.46Å; A1050-E1054 PolarHBondContact O-N 3.09Å; L1051-E1054 PolarHBondContact O-N 3.01Å; E1054-A1056 VanDerWaalsContact C-N 3.33Å; E1054-A1056 PolarHBondContact O-N 3.02Å; E1054-N1057 WeakPolarHBondContact O-CB 3.39Å; E1054-N1057 PolarHBondContact O-N 3.12Å; E1054-N1057 VanDerWaalsContact O-N 3.15Å; E1054-E1058 PolarHBondContact O-N 3.22Å |
| 1055 | I | 91.7 | Very high | 90 | Very high | 18 Ų | 18 | 71.3 Ų | 71.3 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 174.4 | -68.2 | 163.4 | 0 | 0 | 0 | 110.6 | L1029 V1030 L1033 L1051 N1057 E1058 D1059 | L1029-I1055 HydrophobicContact CB-CD1 4.13Å; L1029-I1055 HydrophobicContact CB-CG1 3.56Å; L1029-I1055 HydrophobicContact CD1-CG1 4.23Å; V1030-I1055 HydrophobicContact CG2-CD1 3.96Å; V1030-I1055 HydrophobicContact CG2-CG1 4.33Å; V1030-I1055 HydrophobicContact CG2-CG2 4.38Å; L1033-I1055 HydrophobicContact CB-CD1 4.11Å; L1033-I1055 HydrophobicContact CD2-CD1 3.59Å; L1033-I1055 HydrophobicContact CG-CD1 4.45Å; L1051-I1055 VanDerWaalsContact O-CG1 3.31Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.04Å; L1051-I1055 PolarHBondContact O-N 3.15Å; I1055-N1057 VanDerWaalsContact C-N 3.27Å; I1055-N1057 PolarHBondContact O-N 3.3Å; I1055-E1058 PolarHBondContact O-N 3.35Å; I1055-E1058 VanDerWaalsContact O-N 3.14Å; I1055-D1059 PolarHBondContact O-N 2.91Å |
| 1056 | A | 91.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 75.1 Ų | 75.1 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -31.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q1052 R1053 E1054 K1060 | Q1052-A1056 WeakPolarHBondContact O-CB 3.42Å; Q1052-A1056 PolarHBondContact O-N 2.94Å; R1053-A1056 PolarHBondContact O-N 2.96Å; E1054-A1056 VanDerWaalsContact C-N 3.33Å; E1054-A1056 PolarHBondContact O-N 3.02Å; A1056-K1060 WeakPolarHBondContact O-CG 3.43Å; A1056-K1060 PolarHBondContact O-N 3.15Å |
| 1057 | N | 92.1 | Very high | 90.2 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.5 | -38.4 | 173.6 | -71.2 | -22.5 | 0 | 0 | 0 | 111.5 | R1053 E1054 I1055 K1060 K1061 | R1053-N1057 VanDerWaalsContact O-CG 3.26Å; R1053-N1057 PolarHBondContact O-N 3.5Å; R1053-N1057 PolarHBondContact O-ND2 2.98Å; E1054-N1057 WeakPolarHBondContact O-CB 3.39Å; E1054-N1057 PolarHBondContact O-N 3.12Å; E1054-N1057 VanDerWaalsContact O-N 3.15Å; I1055-N1057 VanDerWaalsContact C-N 3.27Å; I1055-N1057 PolarHBondContact O-N 3.3Å; N1057-K1060 PolarHBondContact O-N 3.38Å; N1057-K1061 PolarHBondContact O-N 3.19Å; N1057-K1061 VanDerWaalsContact O-N 3.1Å |
| 1058 | E | 90.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.5 | -167.6 | 56.9 | -144.1 | 0 | 0 | 111.6 | K1025 K1026 E1054 I1055 K1060 K1061 L1062 | K1025-E1058 HydrophobicContact CB-CG 4.41Å; K1026-E1058 HydrophobicContact CB-CG 3.85Å; E1054-E1058 PolarHBondContact O-N 3.22Å; I1055-E1058 PolarHBondContact O-N 3.35Å; I1055-E1058 VanDerWaalsContact O-N 3.14Å; E1058-K1060 PolarHBondContact O-N 3.01Å; E1058-K1061 WeakPolarHBondContact O-CB 3.29Å; E1058-K1061 PolarHBondContact O-N 3.25Å; E1058-K1061 VanDerWaalsContact O-N 3.15Å; E1058-K1061 WeakPolarHBondContact OE1-CD 3.48Å; E1058-K1061 WeakPolarHBondContact OE1-CE 3.16Å; E1058-K1061 IonicContact OE1-NZ 2.96Å; E1058-K1061 PolarHBondContact OE1-NZ 3.49Å; E1058-K1061 IonicContact OE2-NZ 2.97Å; E1058-K1061 PolarHBondContact OE2-NZ 2.96Å; E1058-L1062 WeakPolarHBondContact O-CG 3.35Å; E1058-L1062 PolarHBondContact O-N 3.37Å |
| 1059 | D | 90.1 | Very high | 90 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 173.4 | -77.8 | -33 | 0 | 0 | 0 | 111.9 | K1026 I1055 K1061 L1062 D1063 | K1026-D1059 WeakPolarHBondContact CE-OD1 3.45Å; K1026-D1059 IonicContact NZ-OD1 4Å; K1026-D1059 PolarHBondContact NZ-OD1 3.44Å; I1055-D1059 PolarHBondContact O-N 2.91Å; D1059-K1061 VanDerWaalsContact C-N 3.31Å; D1059-K1061 PolarHBondContact O-N 3.02Å; D1059-L1062 PolarHBondContact O-N 3.26Å; D1059-D1063 PolarHBondContact O-N 3.47Å |
| 1060 | K | 92.5 | Very high | 89.8 | Confident | 144 Ų | 144 | 72.8 Ų | 72.8 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -37.4 | 175.5 | -72.1 | 174.5 | -175.8 | 174.7 | 0 | 112.9 | A1056 N1057 E1058 R1064 | A1056-K1060 WeakPolarHBondContact O-CG 3.43Å; A1056-K1060 PolarHBondContact O-N 3.15Å; N1057-K1060 PolarHBondContact O-N 3.38Å; E1058-K1060 PolarHBondContact O-N 3.01Å; K1060-R1064 PolarHBondContact O-N 2.87Å; K1060-R1064 VanDerWaalsContact O-N 3.1Å |
| 1061 | K | 91.8 | Very high | 89.5 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 175.4 | 171.5 | -174.8 | 154.7 | -140.8 | 0 | 110.5 | E829 N1057 E1058 D1059 R1064 Y1065 | E829-K1061 IonicContact OE1-NZ 3.76Å; E829-K1061 PolarHBondContact OE1-NZ 3.24Å; N1057-K1061 PolarHBondContact O-N 3.19Å; N1057-K1061 VanDerWaalsContact O-N 3.1Å; E1058-K1061 WeakPolarHBondContact O-CB 3.29Å; E1058-K1061 PolarHBondContact O-N 3.25Å; E1058-K1061 VanDerWaalsContact O-N 3.15Å; E1058-K1061 WeakPolarHBondContact OE1-CD 3.48Å; E1058-K1061 WeakPolarHBondContact OE1-CE 3.16Å; E1058-K1061 IonicContact OE1-NZ 2.96Å; E1058-K1061 PolarHBondContact OE1-NZ 3.49Å; E1058-K1061 IonicContact OE2-NZ 2.97Å; E1058-K1061 PolarHBondContact OE2-NZ 2.96Å; D1059-K1061 VanDerWaalsContact C-N 3.31Å; D1059-K1061 PolarHBondContact O-N 3.02Å; K1061-R1064 WeakPolarHBondContact O-CB 3.49Å; K1061-R1064 PolarHBondContact O-N 3.32Å; K1061-Y1065 HydrophobicContact CG-CE1 4.24Å; K1061-Y1065 PolarHBondContact O-N 2.95Å |
| 1062 | L | 88.2 | Confident | 89 | Confident | 37 Ų | 37 | 80 Ų | 80 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.3 | -68.7 | 173.7 | 0 | 0 | 0 | 112.4 | K1026 E1058 D1059 R1064 Y1065 K1066 | K1026-L1062 HydrophobicContact CD-CD1 4.06Å; E1058-L1062 WeakPolarHBondContact O-CG 3.35Å; E1058-L1062 PolarHBondContact O-N 3.37Å; D1059-L1062 PolarHBondContact O-N 3.26Å; L1062-R1064 VanDerWaalsContact C-N 3.34Å; L1062-R1064 PolarHBondContact O-N 3.46Å; L1062-Y1065 PolarHBondContact O-N 3.46Å; L1062-K1066 WeakPolarHBondContact O-CB 3.49Å; L1062-K1066 PolarHBondContact O-N 3.44Å |
| 1063 | D | 90.3 | Very high | 88.2 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 174.1 | -75.3 | -22.7 | 0 | 0 | 0 | 111.9 | D1059 K1066 L1067 | D1059-D1063 PolarHBondContact O-N 3.47Å; D1063-K1066 PolarHBondContact O-N 3.08Å; D1063-L1067 WeakPolarHBondContact O-CB 3.41Å; D1063-L1067 PolarHBondContact O-N 2.83Å |
| 1064 | R | 91.2 | Very high | 87.5 | Confident | 148 Ų | 148 | 76 Ų | 76 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 174.4 | -175.5 | 178.4 | 67.9 | -151.9 | 0.7 | 111.4 | K1060 K1061 L1062 K1066 L1067 E1068 | K1060-R1064 PolarHBondContact O-N 2.87Å; K1060-R1064 VanDerWaalsContact O-N 3.1Å; K1061-R1064 WeakPolarHBondContact O-CB 3.49Å; K1061-R1064 PolarHBondContact O-N 3.32Å; L1062-R1064 VanDerWaalsContact C-N 3.34Å; L1062-R1064 PolarHBondContact O-N 3.46Å; R1064-K1066 VanDerWaalsContact C-N 3.35Å; R1064-K1066 PolarHBondContact O-N 2.77Å; R1064-L1067 PolarHBondContact O-N 2.61Å; R1064-E1068 WeakPolarHBondContact O-CB 3.37Å; R1064-E1068 PolarHBondContact O-N 3.17Å |
| 1065 | Y | 89.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 176.7 | -77.7 | 7.4 | 0 | 0 | 0 | 111.7 | A798 K1061 L1062 L1067 E1068 N1069 | A798-Y1065 HydrophobicContact CB-CD1 3.55Å; A798-Y1065 HydrophobicContact CB-CD2 3.52Å; A798-Y1065 HydrophobicContact CB-CE1 3.94Å; A798-Y1065 HydrophobicContact CB-CE2 3.91Å; A798-Y1065 HydrophobicContact CB-CG 3.32Å; K1061-Y1065 HydrophobicContact CG-CE1 4.24Å; K1061-Y1065 PolarHBondContact O-N 2.95Å; L1062-Y1065 PolarHBondContact O-N 3.46Å; Y1065-L1067 VanDerWaalsContact C-N 3.35Å; Y1065-L1067 PolarHBondContact O-N 3.21Å; Y1065-E1068 PolarHBondContact O-N 2.93Å; Y1065-N1069 WeakPolarHBondContact O-CB 3.27Å; Y1065-N1069 PolarHBondContact O-N 3.19Å |
| 1066 | K | 87.4 | Confident | 85.8 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 177.2 | -172.8 | 178.2 | -179.3 | -179.2 | 0 | 111.8 | L1062 D1063 R1064 N1070 | L1062-K1066 WeakPolarHBondContact O-CB 3.49Å; L1062-K1066 PolarHBondContact O-N 3.44Å; D1063-K1066 PolarHBondContact O-N 3.08Å; R1064-K1066 VanDerWaalsContact C-N 3.35Å; R1064-K1066 PolarHBondContact O-N 2.77Å; K1066-N1070 WeakPolarHBondContact O-CB 3.47Å; K1066-N1070 PolarHBondContact O-N 3.41Å; K1066-N1070 PolarHBondContact O-ND2 2.88Å |
| 1067 | L | 88.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.6 | -179.5 | 62.8 | 0 | 0 | 0 | 112 | D1063 R1064 Y1065 N1070 R1071 | D1063-L1067 WeakPolarHBondContact O-CB 3.41Å; D1063-L1067 PolarHBondContact O-N 2.83Å; R1064-L1067 PolarHBondContact O-N 2.61Å; Y1065-L1067 VanDerWaalsContact C-N 3.35Å; Y1065-L1067 PolarHBondContact O-N 3.21Å; L1067-N1070 PolarHBondContact O-N 3.4Å; L1067-R1071 WeakPolarHBondContact O-CG 3.47Å; L1067-R1071 PolarHBondContact O-N 3.01Å; L1067-R1071 VanDerWaalsContact O-N 3.11Å |
| 1068 | E | 85.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | -179.5 | -165 | 169.1 | -175.1 | 0 | 0 | 112.1 | R1064 Y1065 N1070 R1071 R1072 | R1064-E1068 WeakPolarHBondContact O-CB 3.37Å; R1064-E1068 PolarHBondContact O-N 3.17Å; Y1065-E1068 PolarHBondContact O-N 2.93Å; E1068-N1070 VanDerWaalsContact C-N 3.31Å; E1068-N1070 PolarHBondContact O-N 2.98Å; E1068-R1071 WeakPolarHBondContact O-CA 3.34Å; E1068-R1071 WeakPolarHBondContact O-CB 3.22Å; E1068-R1071 PolarHBondContact O-N 3.33Å; E1068-R1072 PolarHBondContact O-N 3.3Å; E1068-R1072 IonicContact OE1-CZ 2.87Å; E1068-R1072 IonicContact OE1-NH2 3.14Å; E1068-R1072 PolarHBondContact OE1-NH2 2.99Å |
| 1069 | N | 85.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 174.8 | -71.2 | -16.1 | 0 | 0 | 0 | 111.9 | A798 E802 F940 Y1065 R1071 R1072 R1073 | A798-N1069 PolarHBondContact O-ND2 3.15Å; A798-N1069 VanDerWaalsContact O-ND2 3.09Å; E802-N1069 VanDerWaalsContact OE2-CB 3.26Å; E802-N1069 WeakPolarHBondContact OE2-CB 3.36Å; E802-N1069 PolarHBondContact OE2-ND2 3.5Å; F940-N1069 HydrophobicContact CE1-CB 4.4Å; Y1065-N1069 WeakPolarHBondContact O-CB 3.27Å; Y1065-N1069 PolarHBondContact O-N 3.19Å; N1069-R1071 VanDerWaalsContact C-N 3.29Å; N1069-R1071 PolarHBondContact O-N 3.21Å; N1069-R1072 PolarHBondContact O-N 3.23Å; N1069-R1072 PolarHBondContact OD1-NH1 3.35Å; N1069-R1073 WeakPolarHBondContact O-CG 3.34Å; N1069-R1073 PolarHBondContact O-N 2.82Å |
| 1070 | N | 83.5 | Confident | 82.8 | Confident | 84 Ų | 84 | 82.9 Ų | 82.9 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 171 | -75.7 | -20.5 | 0 | 0 | 0 | 112.4 | K1066 L1067 E1068 R1073 H1074 | K1066-N1070 WeakPolarHBondContact O-CB 3.47Å; K1066-N1070 PolarHBondContact O-N 3.41Å; K1066-N1070 PolarHBondContact O-ND2 2.88Å; L1067-N1070 PolarHBondContact O-N 3.4Å; E1068-N1070 VanDerWaalsContact C-N 3.31Å; E1068-N1070 PolarHBondContact O-N 2.98Å; N1070-R1073 PolarHBondContact O-N 3.12Å; N1070-H1074 WeakPolarHBondContact O-CB 3.16Å; N1070-H1074 PolarHBondContact O-N 3.28Å; N1070-H1074 VanDerWaalsContact O-N 3.08Å |
| 1071 | R | 83.9 | Confident | 81.9 | Confident | 145 Ų | 145 | 78.9 Ų | 78.9 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 174.2 | -68.6 | 169.9 | -179.9 | -175.2 | -0.4 | 111.5 | L1067 E1068 N1069 R1073 H1074 Y1076 | L1067-R1071 WeakPolarHBondContact O-CG 3.47Å; L1067-R1071 PolarHBondContact O-N 3.01Å; L1067-R1071 VanDerWaalsContact O-N 3.11Å; E1068-R1071 WeakPolarHBondContact O-CA 3.34Å; E1068-R1071 WeakPolarHBondContact O-CB 3.22Å; E1068-R1071 PolarHBondContact O-N 3.33Å; N1069-R1071 VanDerWaalsContact C-N 3.29Å; N1069-R1071 PolarHBondContact O-N 3.21Å; R1071-R1073 VanDerWaalsContact C-N 3.25Å; R1071-R1073 PolarHBondContact O-N 3.43Å; R1071-H1074 PolarHBondContact O-N 2.99Å; R1071-Y1076 WeakPolarHBondContact O-CE2 3.41Å |
| 1072 | R | 79.8 | Confident | 81.4 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 176.3 | -69.3 | 176.8 | 172.6 | 115.6 | 3.1 | 112.2 | E794 D796 E1068 N1069 | E794-R1072 IonicContact OE2-CZ 3.34Å; E794-R1072 IonicContact OE2-NE 3.06Å; E794-R1072 PolarHBondContact OE2-NE 2.86Å; E794-R1072 IonicContact OE2-NH2 2.76Å; E794-R1072 PolarHBondContact OE2-NH2 3.44Å; D796-R1072 IonicContact OD1-CZ 2.64Å; D796-R1072 IonicContact OD1-NH1 3.81Å; D796-R1072 PolarHBondContact OD1-NH1 3.44Å; D796-R1072 IonicContact OD1-NH2 4Å; D796-R1072 IonicContact OD2-CZ 3.15Å; D796-R1072 IonicContact OD2-NH1 2.65Å; D796-R1072 IonicContact OD2-NH2 2.83Å; D796-R1072 PolarHBondContact OD2-NH2 2.86Å; E1068-R1072 PolarHBondContact O-N 3.3Å; E1068-R1072 IonicContact OE1-CZ 2.87Å; E1068-R1072 IonicContact OE1-NH2 3.14Å; E1068-R1072 PolarHBondContact OE1-NH2 2.99Å; N1069-R1072 PolarHBondContact O-N 3.23Å; N1069-R1072 PolarHBondContact OD1-NH1 3.35Å |
| 1073 | R | 75.3 | Confident | 81.1 | Confident | 87 Ų | 87 | 84 Ų | 84 | 33% | 0.328 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -83.6 | -15.7 | 179.6 | -66.7 | -170.5 | 179.5 | 140.9 | 0.6 | 114.9 | E802 S939 N1069 N1070 R1071 N1075 | E802-R1073 IonicContact OE1-CZ 3.29Å; E802-R1073 IonicContact OE1-NH1 2.72Å; E802-R1073 PolarHBondContact OE1-NH1 3.29Å; E802-R1073 IonicContact OE1-NH2 3.81Å; E802-R1073 PolarHBondContact OE1-NH2 3.35Å; S939-R1073 WeakPolarHBondContact O-CD 3.45Å; S939-R1073 WeakPolarHBondContact O-CG 3.43Å; S939-R1073 PolarHBondContact O-NE 3.39Å; S939-R1073 PolarHBondContact OG-NH2 2.79Å; N1069-R1073 WeakPolarHBondContact O-CG 3.34Å; N1069-R1073 PolarHBondContact O-N 2.82Å; N1070-R1073 PolarHBondContact O-N 3.12Å; R1071-R1073 VanDerWaalsContact C-N 3.25Å; R1071-R1073 PolarHBondContact O-N 3.43Å; R1073-N1075 PolarHBondContact O-N 3.29Å |
| 1074 | H | 75.9 | Confident | 80.6 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | trans | -73.5 | 125 | -173.3 | -170.5 | 76.3 | 0 | 0 | 0 | 111.1 | P943 N1070 R1071 Y1076 | P943-H1074 WeakPolarHBondContact CG-O 3.36Å; N1070-H1074 WeakPolarHBondContact O-CB 3.16Å; N1070-H1074 PolarHBondContact O-N 3.28Å; N1070-H1074 VanDerWaalsContact O-N 3.08Å; R1071-H1074 PolarHBondContact O-N 2.99Å; H1074-Y1076 HydrophobicContact CB-CE2 4.01Å; H1074-Y1076 AromaticContact CD2-CD1 3.67Å; H1074-Y1076 AromaticContact CD2-CE1 3.66Å; H1074-Y1076 AromaticContact CD2-CG 3.93Å; H1074-Y1076 AromaticContact CD2-CZ 3.92Å; H1074-Y1076 WeakPolarHBondContact O-CD2 2.9Å; H1074-Y1076 WeakPolarHBondContact O-CE2 3.43Å; H1074-Y1076 PolarHBondContact O-N 2.83Å; H1074-Y1076 VanDerWaalsContact O-N 3.11Å | ||
| 1075 | N | 72.8 | Confident | 80 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | trans | -76 | 99.9 | 171.9 | -177 | 2 | 0 | 0 | 0 | 110.1 | P943 R1073 V1077 P1078 | P943-N1075 HydrophobicContact CB-CB 4.14Å; R1073-N1075 PolarHBondContact O-N 3.29Å; N1075-V1077 PolarHBondContact O-N 2.85Å; N1075-V1077 WeakPolarHBondContact OD1-CB 3.47Å; N1075-V1077 VanDerWaalsContact OD1-CG2 3.23Å; N1075-V1077 WeakPolarHBondContact OD1-CG2 3.35Å; N1075-V1077 PolarHBondContact OD1-N 3.38Å; N1075-P1078 VanDerWaalsContact O-CD 3.26Å; N1075-P1078 WeakPolarHBondContact O-CD 3.31Å | ||
| 1076 | Y | 76.3 | Confident | 79.9 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | trans | -74.3 | -8 | 177.9 | -68.3 | -82.3 | 0 | 0 | 0 | 114 | R1071 H1074 F1079 I1080 | R1071-Y1076 WeakPolarHBondContact O-CE2 3.41Å; H1074-Y1076 HydrophobicContact CB-CE2 4.01Å; H1074-Y1076 AromaticContact CD2-CD1 3.67Å; H1074-Y1076 AromaticContact CD2-CE1 3.66Å; H1074-Y1076 AromaticContact CD2-CG 3.93Å; H1074-Y1076 AromaticContact CD2-CZ 3.92Å; H1074-Y1076 WeakPolarHBondContact O-CD2 2.9Å; H1074-Y1076 WeakPolarHBondContact O-CE2 3.43Å; H1074-Y1076 PolarHBondContact O-N 2.83Å; H1074-Y1076 VanDerWaalsContact O-N 3.11Å; Y1076-F1079 WeakPolarHBondContact O-CB 3.46Å; Y1076-F1079 PolarHBondContact O-N 3.42Å; Y1076-I1080 VanDerWaalsContact O-CG1 3.31Å; Y1076-I1080 WeakPolarHBondContact O-CG1 3.4Å; Y1076-I1080 PolarHBondContact O-N 3.36Å | ||
| 1077 | V | 71.8 | Confident | 79.7 | Confident | 28 Ų | 28 | 77.5 Ų | 77.5 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | -175.4 | 176.2 | 0 | 0 | 0 | 0 | 112.9 | L945 N1075 F1079 I1080 V1081 | L945-V1077 HydrophobicContact CD2-CG2 3.97Å; L945-V1077 HydrophobicContact CG-CG2 3.97Å; N1075-V1077 PolarHBondContact O-N 2.85Å; N1075-V1077 WeakPolarHBondContact OD1-CB 3.47Å; N1075-V1077 VanDerWaalsContact OD1-CG2 3.23Å; N1075-V1077 WeakPolarHBondContact OD1-CG2 3.35Å; N1075-V1077 PolarHBondContact OD1-N 3.38Å; V1077-F1079 VanDerWaalsContact C-N 3.27Å; V1077-F1079 PolarHBondContact O-N 3.32Å; V1077-I1080 PolarHBondContact O-N 3.38Å; V1077-V1081 HydrophobicContact CG1-CG2 4.09Å; V1077-V1081 WeakPolarHBondContact O-CB 3.24Å; V1077-V1081 VanDerWaalsContact O-CG2 3.3Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.46Å; V1077-V1081 PolarHBondContact O-N 2.89Å |
| 1078 | P | 72.2 | Confident | 79.1 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 177.3 | -24 | 35.7 | 0 | 0 | 0 | 112.4 | N1075 V1081 E1082 | N1075-P1078 VanDerWaalsContact O-CD 3.26Å; N1075-P1078 WeakPolarHBondContact O-CD 3.31Å; P1078-V1081 PolarHBondContact O-N 2.9Å; P1078-E1082 PolarHBondContact O-N 3.41Å |
| 1079 | F | 79.7 | Confident | 78.7 | Confident | 128 Ų | 128 | 81.5 Ų | 81.5 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 175.6 | 172.7 | -104.8 | 0 | 0 | 0 | 111.7 | Y1076 V1077 V1081 E1082 L1083 | Y1076-F1079 WeakPolarHBondContact O-CB 3.46Å; Y1076-F1079 PolarHBondContact O-N 3.42Å; V1077-F1079 VanDerWaalsContact C-N 3.27Å; V1077-F1079 PolarHBondContact O-N 3.32Å; F1079-V1081 VanDerWaalsContact C-N 3.34Å; F1079-V1081 PolarHBondContact O-N 3.34Å; F1079-E1082 PolarHBondContact O-N 3.4Å; F1079-L1083 HydrophobicContact CE1-CD2 4.38Å; F1079-L1083 WeakPolarHBondContact O-CB 3.39Å; F1079-L1083 PolarHBondContact O-N 3.03Å |
| 1080 | I | 76.9 | Confident | 78.8 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.4 | -67.2 | 164.5 | 0 | 0 | 0 | 110.7 | L945 Y1076 V1077 L1083 I1084 | L945-I1080 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1080 VanDerWaalsContact O-CG1 3.31Å; Y1076-I1080 WeakPolarHBondContact O-CG1 3.4Å; Y1076-I1080 PolarHBondContact O-N 3.36Å; V1077-I1080 PolarHBondContact O-N 3.38Å; I1080-L1083 PolarHBondContact O-N 3.47Å; I1080-I1084 HydrophobicContact CG2-CD1 3.85Å; I1080-I1084 HydrophobicContact CG2-CG1 4.44Å; I1080-I1084 VanDerWaalsContact O-CG1 3.27Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.31Å; I1080-I1084 PolarHBondContact O-N 3.02Å |
| 1081 | V | 74 | Confident | 78.6 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.9 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | V1077 P1078 F1079 I1084 K1085 | V1077-V1081 HydrophobicContact CG1-CG2 4.09Å; V1077-V1081 WeakPolarHBondContact O-CB 3.24Å; V1077-V1081 VanDerWaalsContact O-CG2 3.3Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.46Å; V1077-V1081 PolarHBondContact O-N 2.89Å; P1078-V1081 PolarHBondContact O-N 2.9Å; F1079-V1081 VanDerWaalsContact C-N 3.34Å; F1079-V1081 PolarHBondContact O-N 3.34Å; V1081-I1084 PolarHBondContact O-N 3.12Å; V1081-K1085 HydrophobicContact CG1-CD 4.44Å; V1081-K1085 WeakPolarHBondContact O-CG 3.46Å; V1081-K1085 PolarHBondContact O-N 3.42Å |
| 1082 | E | 80.6 | Confident | 78.7 | Confident | 98 Ų | 98 | 82.9 Ų | 82.9 | 46% | 0.458 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.4 | -74.7 | -53.4 | 136.5 | 0 | 0 | 112.1 | P1078 F1079 I1084 K1085 V1086 | P1078-E1082 PolarHBondContact O-N 3.41Å; F1079-E1082 PolarHBondContact O-N 3.4Å; E1082-I1084 PolarHBondContact O-N 3.46Å; E1082-K1085 WeakPolarHBondContact O-CB 3.32Å; E1082-K1085 PolarHBondContact O-N 2.92Å; E1082-K1085 IonicContact OE1-NZ 2.77Å; E1082-K1085 PolarHBondContact OE1-NZ 2.93Å; E1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; E1082-V1086 PolarHBondContact O-N 3.11Å |
| 1083 | L | 83.1 | Confident | 78.7 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.9 | -177.1 | 62.8 | 0 | 0 | 0 | 111.4 | F1079 I1080 K1085 V1086 L1087 | F1079-L1083 HydrophobicContact CE1-CD2 4.38Å; F1079-L1083 WeakPolarHBondContact O-CB 3.39Å; F1079-L1083 PolarHBondContact O-N 3.03Å; I1080-L1083 PolarHBondContact O-N 3.47Å; L1083-K1085 VanDerWaalsContact C-N 3.34Å; L1083-K1085 PolarHBondContact O-N 3.37Å; L1083-V1086 PolarHBondContact O-N 3.18Å; L1083-L1087 HydrophobicContact CG-CD1 4.15Å; L1083-L1087 WeakPolarHBondContact O-CB 3.11Å; L1083-L1087 VanDerWaalsContact O-CG 3.31Å; L1083-L1087 WeakPolarHBondContact O-CG 3.47Å; L1083-L1087 PolarHBondContact O-N 3.31Å |
| 1084 | I | 79.5 | Confident | 78.8 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.9 | -70 | 168.6 | 0 | 0 | 0 | 110.9 | I1080 V1081 E1082 V1086 L1087 A1088 L1093 | I1080-I1084 HydrophobicContact CG2-CD1 3.85Å; I1080-I1084 HydrophobicContact CG2-CG1 4.44Å; I1080-I1084 VanDerWaalsContact O-CG1 3.27Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.31Å; I1080-I1084 PolarHBondContact O-N 3.02Å; V1081-I1084 PolarHBondContact O-N 3.12Å; E1082-I1084 PolarHBondContact O-N 3.46Å; I1084-V1086 VanDerWaalsContact C-N 3.34Å; I1084-V1086 PolarHBondContact O-N 2.95Å; I1084-L1087 PolarHBondContact O-N 2.85Å; I1084-A1088 WeakPolarHBondContact O-CB 3.46Å; I1084-A1088 PolarHBondContact O-N 3.23Å; I1084-L1093 HydrophobicContact CG2-CD1 4.27Å; I1084-L1093 HydrophobicContact CG2-CD2 3.81Å |
| 1085 | K | 79.4 | Confident | 79 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 47% | 0.47 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.3 | -73.6 | 172.6 | -173.5 | 171.1 | 0 | 112.1 | V1081 E1082 L1083 A1088 K1089 | V1081-K1085 HydrophobicContact CG1-CD 4.44Å; V1081-K1085 WeakPolarHBondContact O-CG 3.46Å; V1081-K1085 PolarHBondContact O-N 3.42Å; E1082-K1085 WeakPolarHBondContact O-CB 3.32Å; E1082-K1085 PolarHBondContact O-N 2.92Å; E1082-K1085 IonicContact OE1-NZ 2.77Å; E1082-K1085 PolarHBondContact OE1-NZ 2.93Å; L1083-K1085 VanDerWaalsContact C-N 3.34Å; L1083-K1085 PolarHBondContact O-N 3.37Å; K1085-A1088 PolarHBondContact O-N 2.78Å; K1085-K1089 WeakPolarHBondContact O-CB 3.49Å; K1085-K1089 PolarHBondContact O-N 2.78Å |
| 1086 | V | 85.8 | Confident | 79.4 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 42% | 0.418 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | E1082 L1083 I1084 A1088 K1089 E1090 | E1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; E1082-V1086 PolarHBondContact O-N 3.11Å; L1083-V1086 PolarHBondContact O-N 3.18Å; I1084-V1086 VanDerWaalsContact C-N 3.34Å; I1084-V1086 PolarHBondContact O-N 2.95Å; V1086-A1088 VanDerWaalsContact C-N 3.27Å; V1086-A1088 PolarHBondContact O-N 3.15Å; V1086-K1089 WeakPolarHBondContact O-CB 3.41Å; V1086-K1089 PolarHBondContact O-N 3.04Å; V1086-K1089 VanDerWaalsContact O-N 3.12Å; V1086-E1090 PolarHBondContact O-N 3.16Å |
| 1087 | L | 84 | Confident | 79.4 | Confident | 36 Ų | 36 | 85 Ų | 85 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 176.8 | -70.9 | 171.1 | 0 | 0 | 0 | 112.4 | L1083 I1084 G1091 K1092 L1093 M1096 | L1083-L1087 HydrophobicContact CG-CD1 4.15Å; L1083-L1087 WeakPolarHBondContact O-CB 3.11Å; L1083-L1087 VanDerWaalsContact O-CG 3.31Å; L1083-L1087 WeakPolarHBondContact O-CG 3.47Å; L1083-L1087 PolarHBondContact O-N 3.31Å; I1084-L1087 PolarHBondContact O-N 2.85Å; L1087-G1091 PolarHBondContact O-N 2.98Å; L1087-K1092 HydrophobicContact CD2-CB 4.19Å; L1087-K1092 PolarHBondContact O-N 3.33Å; L1087-L1093 HydrophobicContact CB-CB 4.05Å; L1087-L1093 HydrophobicContact CB-CD1 4.26Å; L1087-L1093 PolarHBondContact O-N 3Å; L1087-L1093 VanDerWaalsContact O-N 3.09Å; L1087-M1096 HydrophobicContact CD1-SD 4.32Å; L1087-M1096 HydrophobicContact CD2-SD 4.04Å |
| 1088 | A | 75.6 | Confident | 79.6 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1084 K1085 V1086 E1090 G1091 L1093 | I1084-A1088 WeakPolarHBondContact O-CB 3.46Å; I1084-A1088 PolarHBondContact O-N 3.23Å; K1085-A1088 PolarHBondContact O-N 2.78Å; V1086-A1088 VanDerWaalsContact C-N 3.27Å; V1086-A1088 PolarHBondContact O-N 3.15Å; A1088-E1090 VanDerWaalsContact C-N 3.29Å; A1088-E1090 PolarHBondContact O-N 3.05Å; A1088-G1091 PolarHBondContact O-N 3.46Å; A1088-L1093 HydrophobicContact CB-CB 4.32Å; A1088-L1093 HydrophobicContact CB-CD2 3.84Å |
| 1089 | K | 77.1 | Confident | 79.7 | Confident | 196 Ų | 196 | 88.3 Ų | 88.3 | 85% | 0.852 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.8 | -35.8 | 176.3 | -93.8 | -174.7 | 171.7 | -177.3 | 0 | 112.9 | K1085 V1086 G1091 | K1085-K1089 WeakPolarHBondContact O-CB 3.49Å; K1085-K1089 PolarHBondContact O-N 2.78Å; V1086-K1089 WeakPolarHBondContact O-CB 3.41Å; V1086-K1089 PolarHBondContact O-N 3.04Å; V1086-K1089 VanDerWaalsContact O-N 3.12Å; K1089-G1091 PolarHBondContact O-N 3.19Å |
| 1090 | E | 86.7 | Confident | 79.3 | Confident | 114 Ų | 114 | 87.8 Ų | 87.8 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.5 | 176 | -67.3 | -166.5 | 177.4 | 0 | 0 | 113.4 | V1086 A1088 K1092 | V1086-E1090 PolarHBondContact O-N 3.16Å; A1088-E1090 VanDerWaalsContact C-N 3.29Å; A1088-E1090 PolarHBondContact O-N 3.05Å; E1090-K1092 HydrophobicContact CB-CD 4.22Å; E1090-K1092 HydrophobicContact CB-CG 4.21Å; E1090-K1092 PolarHBondContact O-N 3.44Å; E1090-K1092 WeakPolarHBondContact OE2-CE 3.43Å; E1090-K1092 IonicContact OE2-NZ 3.54Å; E1090-K1092 PolarHBondContact OE2-NZ 3.33Å |
| 1091 | G | 80.5 | Confident | 79 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 3.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1087 A1088 K1089 | L1087-G1091 PolarHBondContact O-N 2.98Å; A1088-G1091 PolarHBondContact O-N 3.46Å; K1089-G1091 PolarHBondContact O-N 3.19Å |
| 1092 | K | 85.1 | Confident | 78.8 | Confident | 99 Ų | 99 | 93 Ų | 93 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81 | -23.9 | -176.8 | -67.4 | 177.3 | -180 | 162 | 0 | 113.4 | L1087 E1090 T1094 E1095 M1096 | L1087-K1092 HydrophobicContact CD2-CB 4.19Å; L1087-K1092 PolarHBondContact O-N 3.33Å; E1090-K1092 HydrophobicContact CB-CD 4.22Å; E1090-K1092 HydrophobicContact CB-CG 4.21Å; E1090-K1092 PolarHBondContact O-N 3.44Å; E1090-K1092 WeakPolarHBondContact OE2-CE 3.43Å; E1090-K1092 IonicContact OE2-NZ 3.54Å; E1090-K1092 PolarHBondContact OE2-NZ 3.33Å; K1092-T1094 PolarHBondContact O-N 2.96Å; K1092-E1095 PolarHBondContact O-N 3.21Å; K1092-M1096 WeakPolarHBondContact O-CG 3.5Å; K1092-M1096 PolarHBondContact O-N 2.91Å |
| 1093 | L | 80.1 | Confident | 78.1 | Confident | 41 Ų | 41 | 92.6 Ų | 92.6 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | -173.8 | -175.5 | 64.6 | 0 | 0 | 0 | 112.6 | I1084 L1087 A1088 E1095 M1096 I1097 | I1084-L1093 HydrophobicContact CG2-CD1 4.27Å; I1084-L1093 HydrophobicContact CG2-CD2 3.81Å; L1087-L1093 HydrophobicContact CB-CB 4.05Å; L1087-L1093 HydrophobicContact CB-CD1 4.26Å; L1087-L1093 PolarHBondContact O-N 3Å; L1087-L1093 VanDerWaalsContact O-N 3.09Å; A1088-L1093 HydrophobicContact CB-CB 4.32Å; A1088-L1093 HydrophobicContact CB-CD2 3.84Å; L1093-E1095 PolarHBondContact O-N 3.44Å; L1093-M1096 PolarHBondContact O-N 3.48Å; L1093-I1097 HydrophobicContact CD1-CD1 4.04Å; L1093-I1097 HydrophobicContact CD1-CG1 4.39Å; L1093-I1097 HydrophobicContact CD2-CD1 4.49Å; L1093-I1097 HydrophobicContact CG-CD1 3.84Å; L1093-I1097 WeakPolarHBondContact O-CB 3.3Å; L1093-I1097 VanDerWaalsContact O-CG1 3.27Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.5Å; L1093-I1097 PolarHBondContact O-N 3.5Å |
| 1094 | T | 78.4 | Confident | 77.2 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | -178.8 | 8.2 | 0 | 0 | 0 | 0 | 112.8 | K1092 S1098 | K1092-T1094 PolarHBondContact O-N 2.96Å; T1094-S1098 VanDerWaalsContact O-CB 3.32Å; T1094-S1098 WeakPolarHBondContact O-CB 3.44Å; T1094-S1098 PolarHBondContact O-N 2.91Å; T1094-S1098 PolarHBondContact O-OG 3.48Å |
| 1095 | E | 78.7 | Confident | 76 | Confident | 125 Ų | 125 | 94.7 Ų | 94.7 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -50.3 | 176.4 | -175.2 | 178.6 | -174.1 | 0 | 0 | 110.4 | K1092 L1093 I1097 S1098 E1099 | K1092-E1095 PolarHBondContact O-N 3.21Å; L1093-E1095 PolarHBondContact O-N 3.44Å; E1095-I1097 PolarHBondContact O-N 3.2Å; E1095-S1098 PolarHBondContact O-N 3.34Å; E1095-S1098 VanDerWaalsContact O-N 3.12Å; E1095-E1099 PolarHBondContact O-N 2.93Å |
| 1096 | M | 81.6 | Confident | 74.5 | Confident | 101 Ų | 101 | 96.8 Ų | 96.8 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.9 | -66.3 | -177.5 | 82.7 | 0 | 0 | 112.5 | L1087 K1092 L1093 S1098 H1100 | L1087-M1096 HydrophobicContact CD1-SD 4.32Å; L1087-M1096 HydrophobicContact CD2-SD 4.04Å; K1092-M1096 WeakPolarHBondContact O-CG 3.5Å; K1092-M1096 PolarHBondContact O-N 2.91Å; L1093-M1096 PolarHBondContact O-N 3.48Å; M1096-S1098 VanDerWaalsContact C-N 3.34Å; M1096-H1100 WeakPolarHBondContact O-CB 3.47Å; M1096-H1100 PolarHBondContact O-N 3.43Å |
| 1097 | I | 77 | Confident | 72.6 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.9 | -70.7 | 171.4 | 0 | 0 | 0 | 110.2 | L1093 E1095 H1100 I1101 | L1093-I1097 HydrophobicContact CD1-CD1 4.04Å; L1093-I1097 HydrophobicContact CD1-CG1 4.39Å; L1093-I1097 HydrophobicContact CD2-CD1 4.49Å; L1093-I1097 HydrophobicContact CG-CD1 3.84Å; L1093-I1097 WeakPolarHBondContact O-CB 3.3Å; L1093-I1097 VanDerWaalsContact O-CG1 3.27Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.5Å; L1093-I1097 PolarHBondContact O-N 3.5Å; E1095-I1097 PolarHBondContact O-N 3.2Å; I1097-H1100 PolarHBondContact O-N 2.89Å; I1097-I1101 HydrophobicContact CG2-CD1 3.7Å; I1097-I1101 HydrophobicContact CG2-CG1 4.32Å; I1097-I1101 VanDerWaalsContact O-CG1 3.29Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.25Å; I1097-I1101 PolarHBondContact O-N 3.39Å |
| 1098 | S | 74.9 | Confident | 70.7 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | T1094 E1095 M1096 H1100 I1101 Q1102 | T1094-S1098 VanDerWaalsContact O-CB 3.32Å; T1094-S1098 WeakPolarHBondContact O-CB 3.44Å; T1094-S1098 PolarHBondContact O-N 2.91Å; T1094-S1098 PolarHBondContact O-OG 3.48Å; E1095-S1098 PolarHBondContact O-N 3.34Å; E1095-S1098 VanDerWaalsContact O-N 3.12Å; M1096-S1098 VanDerWaalsContact C-N 3.34Å; S1098-H1100 VanDerWaalsContact C-N 3.3Å; S1098-H1100 PolarHBondContact O-N 3.01Å; S1098-I1101 PolarHBondContact O-N 3.41Å; S1098-Q1102 WeakPolarHBondContact O-CB 3.42Å; S1098-Q1102 VanDerWaalsContact O-CG 3.31Å; S1098-Q1102 WeakPolarHBondContact O-CG 2.93Å; S1098-Q1102 PolarHBondContact O-N 3.25Å |
| 1099 | E | 75.6 | Confident | 69.2 | Low | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.5 | -44.8 | 172.6 | -81.4 | -168.2 | 144.5 | 0 | 0 | 111.2 | E1095 Q1102 T1103 | E1095-E1099 PolarHBondContact O-N 2.93Å; E1099-Q1102 WeakPolarHBondContact O-CB 3.43Å; E1099-Q1102 PolarHBondContact O-N 3.05Å; E1099-T1103 PolarHBondContact O-N 3.35Å; E1099-T1103 PolarHBondContact O-OG1 3.48Å |
| 1100 | H | 71.5 | Confident | 67.6 | Low | 117 Ų | 117 | 99.1 Ų | 99.1 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -43.2 | -179.2 | -161.8 | 54 | 0 | 0 | 0 | 112.5 | M1096 I1097 S1098 Q1102 T1103 I1104 | M1096-H1100 WeakPolarHBondContact O-CB 3.47Å; M1096-H1100 PolarHBondContact O-N 3.43Å; I1097-H1100 PolarHBondContact O-N 2.89Å; S1098-H1100 VanDerWaalsContact C-N 3.3Å; S1098-H1100 PolarHBondContact O-N 3.01Å; H1100-Q1102 VanDerWaalsContact C-N 3.3Å; H1100-Q1102 PolarHBondContact O-N 3.17Å; H1100-T1103 VanDerWaalsContact CA-OG1 3.29Å; H1100-T1103 WeakPolarHBondContact CA-OG1 3.46Å; H1100-T1103 PolarHBondContact O-N 3.27Å; H1100-T1103 VanDerWaalsContact O-N 3.1Å; H1100-T1103 PolarHBondContact O-OG1 3.22Å; H1100-I1104 WeakPolarHBondContact O-CG1 3.46Å; H1100-I1104 PolarHBondContact O-N 3.17Å |
| 1101 | I | 70.7 | Confident | 65.4 | Low | 101 Ų | 101 | 101.6 Ų | 101.6 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.7 | -43.2 | 173.4 | -70 | 169.7 | 0 | 0 | 0 | 110.1 | I1097 S1098 T1103 I1104 S1105 | I1097-I1101 HydrophobicContact CG2-CD1 3.7Å; I1097-I1101 HydrophobicContact CG2-CG1 4.32Å; I1097-I1101 VanDerWaalsContact O-CG1 3.29Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.25Å; I1097-I1101 PolarHBondContact O-N 3.39Å; S1098-I1101 PolarHBondContact O-N 3.41Å; I1101-T1103 VanDerWaalsContact C-N 3.3Å; I1101-T1103 PolarHBondContact O-N 3.49Å; I1101-I1104 PolarHBondContact O-N 3.38Å; I1101-S1105 VanDerWaalsContact O-CB 3.32Å; I1101-S1105 WeakPolarHBondContact O-CB 3.27Å; I1101-S1105 PolarHBondContact O-N 3.06Å; I1101-S1105 PolarHBondContact O-OG 3.18Å |
| 1102 | Q | 68.3 | Low | 63.3 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.4 | -34 | 175.1 | -74 | 178.7 | 29.7 | 0 | 0 | 112.7 | S1098 E1099 H1100 S1105 K1106 | S1098-Q1102 WeakPolarHBondContact O-CB 3.42Å; S1098-Q1102 VanDerWaalsContact O-CG 3.31Å; S1098-Q1102 WeakPolarHBondContact O-CG 2.93Å; S1098-Q1102 PolarHBondContact O-N 3.25Å; E1099-Q1102 WeakPolarHBondContact O-CB 3.43Å; E1099-Q1102 PolarHBondContact O-N 3.05Å; H1100-Q1102 VanDerWaalsContact C-N 3.3Å; H1100-Q1102 PolarHBondContact O-N 3.17Å; Q1102-S1105 WeakPolarHBondContact CA-OG 3.33Å; Q1102-S1105 PolarHBondContact O-OG 3.42Å; Q1102-K1106 PolarHBondContact O-N 3.19Å |
| 1103 | T | 67.2 | Low | 60.8 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.2 | -41.7 | 176.8 | -2.6 | 0 | 0 | 0 | 0 | 111.7 | E1099 H1100 I1101 K1106 | E1099-T1103 PolarHBondContact O-N 3.35Å; E1099-T1103 PolarHBondContact O-OG1 3.48Å; H1100-T1103 VanDerWaalsContact CA-OG1 3.29Å; H1100-T1103 WeakPolarHBondContact CA-OG1 3.46Å; H1100-T1103 PolarHBondContact O-N 3.27Å; H1100-T1103 VanDerWaalsContact O-N 3.1Å; H1100-T1103 PolarHBondContact O-OG1 3.22Å; I1101-T1103 VanDerWaalsContact C-N 3.3Å; I1101-T1103 PolarHBondContact O-N 3.49Å; T1103-K1106 PolarHBondContact O-N 3.22Å |
| 1104 | I | 62.9 | Low | 58.6 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.2 | -36.3 | 177.8 | -64.9 | 166.8 | 0 | 0 | 0 | 111.3 | H1100 I1101 K1106 | H1100-I1104 WeakPolarHBondContact O-CG1 3.46Å; H1100-I1104 PolarHBondContact O-N 3.17Å; I1101-I1104 PolarHBondContact O-N 3.38Å; I1104-K1106 VanDerWaalsContact C-N 3.33Å |
| 1105 | S | 54.1 | Low | 57.6 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 57% | 0.573 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.1 | -8.6 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | I1101 Q1102 P1107 | I1101-S1105 VanDerWaalsContact O-CB 3.32Å; I1101-S1105 WeakPolarHBondContact O-CB 3.27Å; I1101-S1105 PolarHBondContact O-N 3.06Å; I1101-S1105 PolarHBondContact O-OG 3.18Å; Q1102-S1105 WeakPolarHBondContact CA-OG 3.33Å; Q1102-S1105 PolarHBondContact O-OG 3.42Å; S1105-P1107 WeakPolarHBondContact O-CD 3.35Å |
| 1106 | K | 48 | Very low | 56.5 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -66.5 | 121.6 | 165.8 | -85.4 | 179.4 | -179.1 | 177.7 | 0 | 108.5 | Q1102 T1103 I1104 T1108 | Q1102-K1106 PolarHBondContact O-N 3.19Å; T1103-K1106 PolarHBondContact O-N 3.22Å; I1104-K1106 VanDerWaalsContact C-N 3.33Å; K1106-T1108 PolarHBondContact O-N 3.01Å; K1106-T1108 VanDerWaalsContact O-N 3.09Å |
| 1107 | P | 45.8 | Very low | 55.1 | Low | 103 Ų | 103 | 122.1 Ų | 122.1 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 122.2 | 171.7 | -4.3 | 13.7 | 0 | 0 | 0 | 107.2 | S1105 S1109 | S1105-P1107 WeakPolarHBondContact O-CD 3.35Å; P1107-S1109 PolarHBondContact O-N 2.82Å; P1107-S1109 VanDerWaalsContact O-N 3.14Å |
| 1108 | T | 44.4 | Very low | 53.8 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 123.6 | 171.5 | 4.4 | 0 | 0 | 0 | 0 | 107.1 | K1106 A1110 Q1111 | K1106-T1108 PolarHBondContact O-N 3.01Å; K1106-T1108 VanDerWaalsContact O-N 3.09Å; T1108-A1110 PolarHBondContact O-N 2.85Å; T1108-Q1111 PolarHBondContact O-N 3.45Å |
| 1109 | S | 44.7 | Very low | 52.5 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -57.5 | -1.1 | -175.5 | 17.1 | 0 | 0 | 0 | 0 | 114.6 | P1107 Q1111 Q1112 | P1107-S1109 PolarHBondContact O-N 2.82Å; P1107-S1109 VanDerWaalsContact O-N 3.14Å; S1109-Q1111 PolarHBondContact O-N 3.19Å; S1109-Q1112 PolarHBondContact O-N 2.92Å |
| 1110 | A | 43.1 | Very low | 50.9 | Low | 81 Ų | 81 | 129.1 Ų | 129.1 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -61.9 | -23.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1108 Q1112 | T1108-A1110 PolarHBondContact O-N 2.85Å; A1110-Q1112 VanDerWaalsContact C-N 3.34Å; A1110-Q1112 PolarHBondContact O-N 3.13Å |
| 1111 | Q | 40.3 | Very low | 49.5 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -80.4 | -7.6 | 177.4 | -75.4 | -174.2 | -13.9 | 0 | 0 | 114.8 | T1108 S1109 | T1108-Q1111 PolarHBondContact O-N 3.45Å; S1109-Q1111 PolarHBondContact O-N 3.19Å |
| 1112 | Q | 36.1 | Very low | 47.8 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -101 | 0.9 | 175.9 | -81.8 | -172.8 | -8 | 0 | 0 | 114.4 | S1109 A1110 | S1109-Q1112 PolarHBondContact O-N 2.92Å; A1110-Q1112 VanDerWaalsContact C-N 3.34Å; A1110-Q1112 PolarHBondContact O-N 3.13Å |
| 1113 | M | 33.6 | Very low | 46.1 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | trans | -104.4 | 17.1 | 175.3 | -73.3 | -166.2 | 80.3 | 0 | 0 | 114.5 | ||||
| 1114 | N | 33.5 | Very low | 44.2 | Very low | 224 Ų | 224 | 136.5 Ų | 136.5 | 100% | 1.198 | 75% | 0.754 | S | S | * | * | trans | -104.5 | 0 | 166.8 | -93.9 | -6.6 | 0 | 0 | 0 | 111.9 |
Retrieved 1,114 of 1,114 residues in 645.6 ms
(Link to these results)