| 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 | 31.3 | Very low | 56.7 | Low | 230 Ų | 230 | 106 Ų | 106 | 100% | 1.133 | 63% | 0.627 | S | S | * | * | 0 | 130.4 | 0 | -63.3 | -174.5 | 77.6 | 0 | 0 | 106 | E3 | M1-E3 PolarHBondContact O-N 3.37Š| |||
| 2 | P | 34.6 | Very low | 60.2 | Low | 131 Ų | 131 | 97.3 Ų | 97.3 | 85% | 0.851 | 58% | 0.575 | S | S | * | * | trans | -61.8 | 134.1 | 168.3 | 11 | 0.2 | 0 | 0 | 0 | 106.8 | A4 | P2-A4 PolarHBondContact O-N 2.78Š| ||
| 3 | E | 34.2 | Very low | 63.1 | Low | 190 Ų | 190 | 89.8 Ų | 89.8 | 89% | 0.888 | 53% | 0.531 | S | S | * | . | trans | -48.8 | 126.8 | 174.3 | -73.4 | 179 | 154.2 | 0 | 0 | 108.3 | M1 S5 | M1-E3 PolarHBondContact O-N 3.37Å; E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 3.2Å | ||
| 4 | A | 36.8 | Very low | 65.6 | Low | 100 Ų | 100 | 89.6 Ų | 89.6 | 83% | 0.826 | 52% | 0.52 | S | S | * | . | trans | -59.5 | 98.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | P2 A6 | P2-A4 PolarHBondContact O-N 2.78Å; A4-A6 PolarHBondContact O-N 2.78Å | ||
| 5 | S | 43.4 | Very low | 67.7 | Low | 99 Ų | 99 | 84.9 Ų | 84.9 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | trans | -46.4 | 121.2 | 173.3 | 58.2 | 0 | 0 | 0 | 0 | 106.5 | E3 T7 | E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 3.2Å; S5-T7 PolarHBondContact O-N 3.06Å | ||
| 6 | A | 45.5 | Very low | 69.6 | Low | 93 Ų | 93 | 79.6 Ų | 79.6 | 77% | 0.769 | 47% | 0.467 | S | S | * | . | trans | -44.8 | 107.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108 | A4 S8 | A4-A6 PolarHBondContact O-N 2.78Å; A6-S8 PolarHBondContact O-N 2.62Å | ||
| 7 | T | 51.5 | Low | 71.3 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 69% | 0.693 | 45% | 0.449 | S | S | * | . | trans | -59.6 | 110.5 | -176 | 39.3 | 0 | 0 | 0 | 0 | 106.2 | S5 K9 | S5-T7 PolarHBondContact O-N 3.06Å; T7-K9 PolarHBondContact O-N 3.4Å | ||
| 8 | S | 68.3 | Low | 72.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 136.8 | 175.8 | 53 | 0 | 0 | 0 | 0 | 108.2 | A6 | A6-S8 PolarHBondContact O-N 2.62Š|
| 9 | K | 86.4 | Confident | 74.2 | Confident | 154 Ų | 154 | 68.4 Ų | 68.4 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 138.6 | 169.7 | -66.6 | -179.2 | -179.5 | 179.1 | 0 | 108.8 | T7 | T7-K9 PolarHBondContact O-N 3.4Š|
| 10 | P | 94.8 | Very high | 75.5 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 146.4 | 168.8 | -29.6 | 37.6 | 0 | 0 | 0 | 111 | V31 E32 P46 T49 E50 | P10-V31 WeakPolarHBondContact CA-O 3.41Å; P10-E32 HydrophobicContact CB-CG 3.92Å; P10-E32 HydrophobicContact CG-CG 4.2Å; P10-P46 HydrophobicContact CG-CB 4.46Å; P10-P46 HydrophobicContact CG-CG 4.35Å; P10-T49 HydrophobicContact CB-CG2 4.07Å; P10-T49 WeakPolarHBondContact CB-OG1 3.38Å; P10-T49 CarbonylContact O-C 3.6Å; P10-T49 WeakPolarHBondContact O-CA 3.34Å; P10-E50 PolarHBondContact O-N 3.15Å |
| 11 | L | 97 | Very high | 76.6 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | 179.9 | 172.1 | 64.9 | 0 | 0 | 0 | 109.5 | L13 V31 E50 I52 I464 | L11-L13 HydrophobicContact CD1-CD2 4.16Å; L11-L13 HydrophobicContact CD2-CD2 4.03Å; L11-L13 HydrophobicContact CG-CD2 4.05Å; L11-V31 HydrophobicContact CB-CB 4.24Å; L11-V31 PolarHBondContact N-O 2.95Å; L11-V31 PolarHBondContact O-N 3.5Å; L11-E50 CarbonylContact C-O 3.59Å; L11-E50 WeakPolarHBondContact CA-O 3.22Å; L11-E50 HydrophobicContact CD1-CB 4.33Å; L11-E50 HydrophobicContact CD1-CG 4.36Å; L11-I52 HydrophobicContact CD1-CB 4.42Å; L11-I52 HydrophobicContact CD1-CD1 3.44Å; L11-I52 VanDerWaalsContact CD1-CD1 3.44Å; L11-I52 HydrophobicContact CD1-CG1 3.61Å; L11-I52 HydrophobicContact CD2-CD1 4.48Å; L11-I464 HydrophobicContact CD2-CD1 3.78Å; L11-I464 HydrophobicContact CD2-CG1 4.47Å; L11-I464 HydrophobicContact CD2-CG2 4.43Å |
| 12 | L | 98.3 | Very high | 79.7 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.5 | 172.3 | -178.1 | 72.3 | 0 | 0 | 0 | 109.8 | D28 L30 L43 Y45 T49 E50 I51 I52 | L12-D28 HydrophobicContact CD1-CB 4.11Å; L12-L30 HydrophobicContact CB-CD1 4.48Å; L12-L30 HydrophobicContact CD1-CB 4.15Å; L12-L30 HydrophobicContact CD1-CD1 4.36Å; L12-L43 HydrophobicContact CD1-CB 4.39Å; L12-L43 HydrophobicContact CD1-CD1 4.27Å; L12-Y45 HydrophobicContact CD2-CD1 3.54Å; L12-Y45 HydrophobicContact CD2-CE1 3.67Å; L12-Y45 HydrophobicContact CD2-CG 4.22Å; L12-T49 HydrophobicContact CB-CG2 3.72Å; L12-E50 PolarHBondContact N-O 3.14Å; L12-I51 HydrophobicContact CB-CG1 4.44Å; L12-I51 HydrophobicContact CD2-CG1 4.39Å; L12-I51 HydrophobicContact CD2-CG2 4.43Å; L12-I52 PolarHBondContact O-N 3.33Å |
| 13 | L | 98.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.6 | 168.2 | -53.1 | -177.2 | 0 | 0 | 0 | 108.1 | L11 D28 V29 I52 V54 L59 I427 I429 I464 | L11-L13 HydrophobicContact CD1-CD2 4.16Å; L11-L13 HydrophobicContact CD2-CD2 4.03Å; L11-L13 HydrophobicContact CG-CD2 4.05Å; L13-D28 CarbonylContact O-C 3.54Å; L13-D28 WeakPolarHBondContact O-CA 3.36Å; L13-V29 HydrophobicContact CB-CB 4.27Å; L13-V29 PolarHBondContact N-O 3.37Å; L13-V29 PolarHBondContact O-N 3.36Å; L13-I52 HydrophobicContact CD2-CB 3.98Å; L13-I52 HydrophobicContact CD2-CD1 4.28Å; L13-I52 HydrophobicContact CD2-CG2 4.48Å; L13-V54 HydrophobicContact CB-CG2 4.02Å; L13-V54 HydrophobicContact CD2-CG1 4.5Å; L13-L59 HydrophobicContact CB-CD1 4.19Å; L13-L59 HydrophobicContact CD1-CD1 4.25Å; L13-L59 HydrophobicContact CD1-CD2 4.09Å; L13-I427 HydrophobicContact CD1-CB 4.45Å; L13-I427 HydrophobicContact CD1-CD1 3.98Å; L13-I427 HydrophobicContact CD1-CG2 3.83Å; L13-I429 HydrophobicContact CD2-CD1 4.08Å; L13-I464 HydrophobicContact CD1-CD1 3.84Å; L13-I464 HydrophobicContact CD2-CD1 3.89Å; L13-I464 HydrophobicContact CG-CD1 4.4Å |
| 14 | K | 98.1 | Very high | 85.8 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.7 | -169.8 | -167.9 | 173.1 | -175.6 | 173.1 | 0 | 113 | D28 I51 I52 V54 | K14-D28 WeakPolarHBondContact CA-OD1 3.42Å; K14-D28 WeakPolarHBondContact CG-OD1 3.3Å; K14-I51 HydrophobicContact CB-CG2 4.27Å; K14-I51 HydrophobicContact CD-CG2 4.38Å; K14-I52 PolarHBondContact N-O 2.87Å; K14-V54 WeakPolarHBondContact O-CG2 3.4Å; K14-V54 PolarHBondContact O-N 3.47Å |
| 15 | G | 97.4 | Very high | 88.8 | Confident | 18 Ų | 18 | 46 Ų | 46 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81 | 14.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D28 N55 | G15-D28 PolarHBondContact N-OD1 2.89Å; G15-N55 WeakPolarHBondContact O-CA 3.45Å; G15-N55 PolarHBondContact O-OD1 2.88Å |
| 16 | G | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 167.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K26 S27 V54 | G16-K26 WeakPolarHBondContact O-CA 3.41Å; G16-S27 PolarHBondContact N-O 3.42Å; G16-S27 PolarHBondContact O-N 2.78Å; G16-V54 WeakPolarHBondContact CA-O 3.44Å |
| 17 | T | 98.7 | Very high | 93.9 | Very high | 27 Ų | 27 | 44 Ų | 44 | 17% | 0.166 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 105 | 167.5 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | V19 S24 F25 K57 L58 L59 | T17-V19 HydrophobicContact CG2-CG2 4.35Å; T17-V19 PolarHBondContact O-N 3.28Å; T17-S24 VanDerWaalsContact CG2-OG 3.24Å; T17-S24 WeakPolarHBondContact CG2-OG 3.39Å; T17-F25 CarbonylContact C-O 3.4Å; T17-F25 WeakPolarHBondContact CA-O 3.46Å; T17-K57 PolarHBondContact N-O 3.4Å; T17-L58 HydrophobicContact CG2-CD2 4.03Å; T17-L58 CarbonylContact O-C 3.55Å; T17-L58 WeakPolarHBondContact O-CA 3.43Å; T17-L59 PolarHBondContact O-N 2.88Å |
| 18 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.1 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | S24 F25 V29 V39 L59 I419 | V18-S24 CarbonylContact O-C 3.18Å; V18-S24 VanDerWaalsContact O-CA 3.25Å; V18-S24 WeakPolarHBondContact O-CA 3.27Å; V18-F25 HydrophobicContact CB-CE1 4.27Å; V18-F25 HydrophobicContact CB-CE2 4.14Å; V18-F25 HydrophobicContact CB-CZ 4.01Å; V18-F25 HydrophobicContact CG1-CE1 4.06Å; V18-F25 HydrophobicContact CG1-CE2 4.48Å; V18-F25 HydrophobicContact CG1-CZ 3.88Å; V18-F25 HydrophobicContact CG2-CE2 4.47Å; V18-F25 PolarHBondContact N-O 2.88Å; V18-F25 PolarHBondContact O-N 3.11Å; V18-V29 HydrophobicContact CG2-CG2 3.75Å; V18-V39 HydrophobicContact CG2-CG1 4.42Å; V18-L59 HydrophobicContact CG2-CB 4.37Å; V18-L59 HydrophobicContact CG2-CD1 4.11Å; V18-I419 HydrophobicContact CG1-CB 3.84Å; V18-I419 HydrophobicContact CG1-CD1 4.22Å; V18-I419 HydrophobicContact CG1-CG2 3.7Å; V18-I419 HydrophobicContact CG2-CG2 4.21Å |
| 19 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 110.7 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | T17 L58 L59 L60 P61 P395 V399 | T17-V19 HydrophobicContact CG2-CG2 4.35Å; T17-V19 PolarHBondContact O-N 3.28Å; V19-L58 HydrophobicContact CG2-CB 4.26Å; V19-L58 HydrophobicContact CG2-CD2 4.17Å; V19-L59 PolarHBondContact N-O 2.95Å; V19-L60 HydrophobicContact CB-CD2 3.58Å; V19-L60 HydrophobicContact CG1-CD2 4.24Å; V19-L60 HydrophobicContact CG2-CD2 3.75Å; V19-P61 VanDerWaalsContact O-CD 3.24Å; V19-P61 WeakPolarHBondContact O-CD 3.42Å; V19-P395 HydrophobicContact CG1-CB 3.78Å; V19-V399 HydrophobicContact CB-CG2 4.35Å; V19-V399 HydrophobicContact CG1-CG2 3.95Å |
| 20 | N | 98.9 | Very high | 98.2 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | trans | -104 | 172.5 | 168.2 | -78.4 | -42.9 | 0 | 0 | 0 | 109.7 | D22 V23 C396 R418 I419 | N20-D22 WeakPolarHBondContact CB-OD1 3.42Å; N20-D22 PolarHBondContact O-N 2.84Å; N20-V23 PolarHBondContact N-O 2.92Å; N20-C396 WeakPolarHBondContact O-CB 3.45Å; N20-C396 PolarHBondContact O-SG 2.83Å; N20-R418 HydrophobicContact CB-CG 4.35Å; N20-R418 WeakPolarHBondContact OD1-CG 3.31Å; N20-I419 PolarHBondContact ND2-O 2.85Å; N20-I419 PolarHBondContact OD1-N 3.06Å | ||
| 21 | H | 98.6 | Very high | 98.3 | Very high | 28 Ų | 28 | 30 Ų | 30 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -61.5 | -18.2 | -178.2 | 77.2 | -51.6 | 0 | 0 | 0 | 115.6 | C396 V399 K400 S404 R408 | H21-C396 WeakPolarHBondContact CA-O 3.42Å; H21-V399 HydrophobicContact CB-CG1 4.46Å; H21-K400 HydrophobicContact CB-CB 3.77Å; H21-K400 HydrophobicContact CB-CD 4.35Å; H21-K400 HydrophobicContact CB-CG 3.95Å; H21-S404 WeakPolarHBondContact CB-OG 3.3Å; H21-R408 PolarHBondContact CE1-NH2 3.44Å; H21-R408 VanDerWaalsContact CE1-NH2 3.3Å; H21-R408 PolarHBondContact NE2-NH2 3.13Å |
| 22 | D | 98.2 | Very high | 98.3 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 46% | 0.46 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -118.1 | -22.4 | -169.8 | 54.7 | -42.3 | 0 | 0 | 0 | 113.1 | N20 R418 | N20-D22 WeakPolarHBondContact CB-OD1 3.42Å; N20-D22 PolarHBondContact O-N 2.84Å; D22-R418 IonicContact OD1-NE 2.86Å; D22-R418 IonicContact OD1-NH2 2.57Å; D22-R418 PolarHBondContact OD1-NH2 3.01Å; D22-R418 IonicContact OD2-NH2 3.33Å; D22-R418 PolarHBondContact OD2-NH2 3.18Å |
| 23 | V | 98.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 39% | 0.388 | 20% | 0.195 | S | C | . | . | trans | -156.8 | 149 | -174.7 | 66 | 0 | 0 | 0 | 0 | 111.3 | N20 F25 | N20-V23 PolarHBondContact N-O 2.92Å; V23-F25 HydrophobicContact CG1-CD1 3.85Å; V23-F25 HydrophobicContact CG1-CE1 3.79Å; V23-F25 HydrophobicContact CG2-CD1 4.08Å | ||
| 24 | S | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 42% | 0.42 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.2 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | T17 V18 | T17-S24 VanDerWaalsContact CG2-OG 3.24Å; T17-S24 WeakPolarHBondContact CG2-OG 3.39Å; V18-S24 CarbonylContact O-C 3.18Å; V18-S24 VanDerWaalsContact O-CA 3.25Å; V18-S24 WeakPolarHBondContact O-CA 3.27Å |
| 25 | F | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 35.2 Ų | 35.2 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 154 | -175.8 | 58.6 | -83.9 | 0 | 0 | 0 | 111.9 | T17 V18 V23 V39 | T17-F25 CarbonylContact C-O 3.4Å; T17-F25 WeakPolarHBondContact CA-O 3.46Å; V18-F25 HydrophobicContact CB-CE1 4.27Å; V18-F25 HydrophobicContact CB-CE2 4.14Å; V18-F25 HydrophobicContact CB-CZ 4.01Å; V18-F25 HydrophobicContact CG1-CE1 4.06Å; V18-F25 HydrophobicContact CG1-CE2 4.48Å; V18-F25 HydrophobicContact CG1-CZ 3.88Å; V18-F25 HydrophobicContact CG2-CE2 4.47Å; V18-F25 PolarHBondContact N-O 2.88Å; V18-F25 PolarHBondContact O-N 3.11Å; V23-F25 HydrophobicContact CG1-CD1 3.85Å; V23-F25 HydrophobicContact CG1-CE1 3.79Å; V23-F25 HydrophobicContact CG2-CD1 4.08Å; F25-V39 HydrophobicContact CE2-CG1 3.79Å; F25-V39 HydrophobicContact CZ-CG1 4.05Å |
| 26 | K | 98.4 | Very high | 98 | Very high | 141 Ų | 141 | 34.4 Ų | 34.4 | 61% | 0.613 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 135.3 | 173.7 | -69.4 | -166.9 | 175.9 | -170.6 | 0 | 110.5 | G16 | G16-K26 WeakPolarHBondContact O-CA 3.41Å |
| 27 | S | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 157.8 | 178.6 | -121 | 0 | 0 | 0 | 0 | 112.5 | G16 G40 | G16-S27 PolarHBondContact N-O 3.42Å; G16-S27 PolarHBondContact O-N 2.78Å; S27-G40 VanDerWaalsContact OG-CA 3.25Å; S27-G40 WeakPolarHBondContact OG-CA 3.35Å; S27-G40 PolarHBondContact OG-N 3.15Å; S27-G40 VanDerWaalsContact OG-N 3.15Å |
| 28 | D | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 152.7 | 158.8 | -53 | -32.5 | 0 | 0 | 0 | 109.2 | L12 L13 K14 G15 V39 G40 N42 L43 | L12-D28 HydrophobicContact CD1-CB 4.11Å; L13-D28 CarbonylContact O-C 3.54Å; L13-D28 WeakPolarHBondContact O-CA 3.36Å; K14-D28 WeakPolarHBondContact CA-OD1 3.42Å; K14-D28 WeakPolarHBondContact CG-OD1 3.3Å; G15-D28 PolarHBondContact N-OD1 2.89Å; D28-V39 WeakPolarHBondContact O-CA 3.38Å; D28-G40 WeakPolarHBondContact CA-O 3.31Å; D28-G40 VanDerWaalsContact CB-O 3.27Å; D28-G40 WeakPolarHBondContact CB-O 3.25Å; D28-G40 PolarHBondContact N-O 2.99Å; D28-G40 PolarHBondContact O-N 2.85Å; D28-G40 VanDerWaalsContact O-N 3.11Å; D28-N42 PolarHBondContact OD2-N 2.73Å; D28-L43 HydrophobicContact CB-CD1 3.87Å; D28-L43 HydrophobicContact CB-CG 4.1Å |
| 29 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 115.3 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | L13 V18 V31 I36 V39 L59 I419 I427 | L13-V29 HydrophobicContact CB-CB 4.27Å; L13-V29 PolarHBondContact N-O 3.37Å; L13-V29 PolarHBondContact O-N 3.36Å; V18-V29 HydrophobicContact CG2-CG2 3.75Å; V29-V31 HydrophobicContact CG1-CG2 4.2Å; V29-I36 HydrophobicContact CG1-CG1 4.44Å; V29-I36 HydrophobicContact CG1-CG2 3.83Å; V29-V39 HydrophobicContact CG1-CG2 4.42Å; V29-V39 HydrophobicContact CG2-CG1 4.48Å; V29-V39 HydrophobicContact CG2-CG2 4.47Å; V29-L59 HydrophobicContact CG2-CD1 3.77Å; V29-I419 HydrophobicContact CG1-CG2 4.37Å; V29-I419 HydrophobicContact CG2-CG2 4.05Å; V29-I427 HydrophobicContact CG1-CD1 3.9Å |
| 30 | L | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.8 | 174.4 | 179.7 | 64 | 0 | 0 | 0 | 109.8 | L12 E32 Q37 A38 L43 T49 | L12-L30 HydrophobicContact CB-CD1 4.48Å; L12-L30 HydrophobicContact CD1-CB 4.15Å; L12-L30 HydrophobicContact CD1-CD1 4.36Å; L30-E32 HydrophobicContact CD1-CG 4.45Å; L30-E32 HydrophobicContact CG-CG 4.35Å; L30-Q37 HydrophobicContact CD2-CB 4.31Å; L30-Q37 HydrophobicContact CG-CB 4.31Å; L30-Q37 PolarHBondContact O-N 3.34Å; L30-A38 HydrophobicContact CB-CB 4.16Å; L30-A38 PolarHBondContact N-O 2.81Å; L30-A38 PolarHBondContact O-N 2.92Å; L30-L43 HydrophobicContact CB-CD1 4.01Å; L30-T49 HydrophobicContact CD1-CG2 4.37Å |
| 31 | V | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.5 | -178.6 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | P10 L11 V29 V35 I36 A425 I427 | P10-V31 WeakPolarHBondContact CA-O 3.41Å; L11-V31 HydrophobicContact CB-CB 4.24Å; L11-V31 PolarHBondContact N-O 2.95Å; L11-V31 PolarHBondContact O-N 3.5Å; V29-V31 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact CA-O 3.46Å; V31-I36 HydrophobicContact CG2-CG1 4.5Å; V31-A425 HydrophobicContact CB-CB 4.16Å; V31-A425 HydrophobicContact CG1-CB 3.31Å; V31-A425 HydrophobicContact CG2-CB 3.72Å; V31-I427 HydrophobicContact CG2-CD1 4.05Å |
| 32 | E | 96.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139 | 175.2 | -55.1 | -176 | -117.3 | 0 | 0 | 110.1 | P10 L30 G34 V35 Q37 | P10-E32 HydrophobicContact CB-CG 3.92Å; P10-E32 HydrophobicContact CG-CG 4.2Å; L30-E32 HydrophobicContact CD1-CG 4.45Å; L30-E32 HydrophobicContact CG-CG 4.35Å; E32-G34 PolarHBondContact O-N 3.44Å; E32-G34 VanDerWaalsContact O-N 3.11Å; E32-V35 PolarHBondContact N-O 3.28Å; E32-V35 PolarHBondContact O-N 3.2Å; E32-V35 VanDerWaalsContact O-O 3.07Å; E32-Q37 HydrophobicContact CB-CG 3.57Å; E32-Q37 HydrophobicContact CG-CG 3.74Å |
| 33 | N | 94 | Very high | 97.3 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.7 | 178 | -55.1 | -50 | 0 | 0 | 0 | 113.5 | V35 | N33-V35 VanDerWaalsContact C-N 3.29Å; N33-V35 PolarHBondContact O-N 3.05Å |
| 34 | G | 94.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E32 A425 R466 | E32-G34 PolarHBondContact O-N 3.44Å; E32-G34 VanDerWaalsContact O-N 3.11Å; G34-A425 PolarHBondContact O-N 2.89Å; G34-R466 WeakPolarHBondContact CA-O 3.45Å |
| 35 | V | 98 | Very high | 97 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.255 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.7 | 179.6 | -180 | 0 | 0 | 0 | 0 | 109.5 | V31 E32 N33 Q37 S423 | V31-V35 WeakPolarHBondContact CA-O 3.46Å; E32-V35 PolarHBondContact N-O 3.28Å; E32-V35 PolarHBondContact O-N 3.2Å; E32-V35 VanDerWaalsContact O-O 3.07Å; N33-V35 VanDerWaalsContact C-N 3.29Å; N33-V35 PolarHBondContact O-N 3.05Å; V35-Q37 PolarHBondContact O-N 3.11Å; V35-S423 WeakPolarHBondContact CA-O 3.3Å; V35-S423 WeakPolarHBondContact CG1-O 3.18Å |
| 36 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114.8 | 172.4 | -58.1 | 176.6 | 0 | 0 | 0 | 108.7 | V29 V31 V39 I419 E420 V421 G422 S423 A425 I427 | V29-I36 HydrophobicContact CG1-CG1 4.44Å; V29-I36 HydrophobicContact CG1-CG2 3.83Å; V31-I36 HydrophobicContact CG2-CG1 4.5Å; I36-V39 HydrophobicContact CG2-CG2 3.65Å; I36-I419 HydrophobicContact CD1-CB 4.25Å; I36-I419 HydrophobicContact CD1-CG1 4.43Å; I36-I419 HydrophobicContact CD1-CG2 4Å; I36-E420 WeakPolarHBondContact CB-O 3.16Å; I36-V421 WeakPolarHBondContact O-CA 3.31Å; I36-G422 PolarHBondContact O-N 3.28Å; I36-S423 PolarHBondContact N-O 2.87Å; I36-A425 HydrophobicContact CG1-CB 3.97Å; I36-I427 HydrophobicContact CD1-CD1 4.11Å; I36-I427 HydrophobicContact CD1-CG1 4.47Å; I36-I427 HydrophobicContact CG1-CD1 4.29Å |
| 37 | Q | 98.1 | Very high | 96.5 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -35.8 | -177.8 | -68 | -58.8 | -35.1 | 0 | 0 | 113.1 | L30 E32 V35 V421 | L30-Q37 HydrophobicContact CD2-CB 4.31Å; L30-Q37 HydrophobicContact CG-CB 4.31Å; L30-Q37 PolarHBondContact O-N 3.34Å; E32-Q37 HydrophobicContact CB-CG 3.57Å; E32-Q37 HydrophobicContact CG-CG 3.74Å; V35-Q37 PolarHBondContact O-N 3.11Å; Q37-V421 WeakPolarHBondContact O-CG1 3.27Å |
| 38 | A | 98.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 21% | 0.207 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 144.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | L30 L43 | L30-A38 HydrophobicContact CB-CB 4.16Å; L30-A38 PolarHBondContact N-O 2.81Å; L30-A38 PolarHBondContact O-N 2.92Å; A38-L43 HydrophobicContact CB-CD1 3.84Å; A38-L43 HydrophobicContact CB-CD2 3.88Å; A38-L43 HydrophobicContact CB-CG 4.44Å |
| 39 | V | 98.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.1 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 106.6 | V18 F25 D28 V29 I36 I419 | V18-V39 HydrophobicContact CG2-CG1 4.42Å; F25-V39 HydrophobicContact CE2-CG1 3.79Å; F25-V39 HydrophobicContact CZ-CG1 4.05Å; D28-V39 WeakPolarHBondContact O-CA 3.38Å; V29-V39 HydrophobicContact CG1-CG2 4.42Å; V29-V39 HydrophobicContact CG2-CG1 4.48Å; V29-V39 HydrophobicContact CG2-CG2 4.47Å; I36-V39 HydrophobicContact CG2-CG2 3.65Å; V39-I419 HydrophobicContact CG2-CG2 4.29Å |
| 40 | G | 97.7 | Very high | 96.1 | Very high | 18 Ų | 18 | 62 Ų | 62 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 178 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S27 D28 | S27-G40 VanDerWaalsContact OG-CA 3.25Å; S27-G40 WeakPolarHBondContact OG-CA 3.35Å; S27-G40 PolarHBondContact OG-N 3.15Å; S27-G40 VanDerWaalsContact OG-N 3.15Å; D28-G40 WeakPolarHBondContact CA-O 3.31Å; D28-G40 VanDerWaalsContact CB-O 3.27Å; D28-G40 WeakPolarHBondContact CB-O 3.25Å; D28-G40 PolarHBondContact N-O 2.99Å; D28-G40 PolarHBondContact O-N 2.85Å; D28-G40 VanDerWaalsContact O-N 3.11Å |
| 41 | E | 95 | Very high | 96 | Very high | 145 Ų | 145 | 65.5 Ų | 65.5 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -88.6 | 144.7 | 175.5 | -62.3 | -176.7 | 179.9 | 0 | 0 | 111.1 | L43 | E41-L43 VanDerWaalsContact C-N 3.27Å; E41-L43 PolarHBondContact O-N 3.25Å |
| 42 | N | 93 | Very high | 96 | Very high | 136 Ų | 136 | 66.4 Ų | 66.4 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 55.2 | 42 | 172.9 | -55.7 | -62.5 | 0 | 0 | 0 | 112.8 | D28 S44 | D28-N42 PolarHBondContact OD2-N 2.73Å; N42-S44 PolarHBondContact O-N 3.09Å |
| 43 | L | 95.7 | Very high | 96 | Very high | 32 Ų | 32 | 69.1 Ų | 69.1 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | trans | -58.4 | 138.5 | -179 | -63 | 178.8 | 0 | 0 | 0 | 110.9 | L12 D28 L30 A38 E41 Y45 | L12-L43 HydrophobicContact CD1-CB 4.39Å; L12-L43 HydrophobicContact CD1-CD1 4.27Å; D28-L43 HydrophobicContact CB-CD1 3.87Å; D28-L43 HydrophobicContact CB-CG 4.1Å; L30-L43 HydrophobicContact CB-CD1 4.01Å; A38-L43 HydrophobicContact CB-CD1 3.84Å; A38-L43 HydrophobicContact CB-CD2 3.88Å; A38-L43 HydrophobicContact CB-CG 4.44Å; E41-L43 VanDerWaalsContact C-N 3.27Å; E41-L43 PolarHBondContact O-N 3.25Å; L43-Y45 VanDerWaalsContact O-CD1 3.3Å; L43-Y45 WeakPolarHBondContact O-CD1 3Å | ||
| 44 | S | 94.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 63.8 Ų | 63.8 | 81% | 0.811 | 36% | 0.361 | S | S | * | . | trans | -76.5 | 140 | 163.2 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | N42 | N42-S44 PolarHBondContact O-N 3.09Š| ||
| 45 | Y | 95.4 | Very high | 96.3 | Very high | 105 Ų | 105 | 67.1 Ų | 67.1 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | trans | -138.7 | 153.4 | -177.6 | 50.2 | -91.9 | 0 | 0 | 0 | 110.8 | L12 L43 T49 I51 | L12-Y45 HydrophobicContact CD2-CD1 3.54Å; L12-Y45 HydrophobicContact CD2-CE1 3.67Å; L12-Y45 HydrophobicContact CD2-CG 4.22Å; L43-Y45 VanDerWaalsContact O-CD1 3.3Å; L43-Y45 WeakPolarHBondContact O-CD1 3Å; Y45-T49 HydrophobicContact CD2-CG2 4.09Å; Y45-T49 HydrophobicContact CG-CG2 4.31Å; Y45-I51 HydrophobicContact CE2-CD1 4.01Å | ||
| 46 | P | 94.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 72.5 Ų | 72.5 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | trans | -64.6 | 159 | 179.4 | -20.7 | 32.5 | 0 | 0 | 0 | 113.7 | P10 T49 | P10-P46 HydrophobicContact CG-CB 4.46Å; P10-P46 HydrophobicContact CG-CG 4.35Å; P46-T49 WeakPolarHBondContact O-CB 3.44Å; P46-T49 PolarHBondContact O-N 3.15Å; P46-T49 PolarHBondContact O-OG1 3.08Å | ||
| 47 | D | 93.1 | Very high | 96.2 | Very high | 168 Ų | 168 | 74.4 Ų | 74.4 | 90% | 0.898 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 141.1 | 171.2 | -71.4 | -30.9 | 0 | 0 | 0 | 111.4 | T49 | D47-T49 VanDerWaalsContact C-N 3.31Å; D47-T49 PolarHBondContact O-N 3.39Å |
| 48 | G | 93 | Very high | 96.2 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 4.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E50 | G48-E50 PolarHBondContact O-N 3.13Š|
| 49 | T | 96.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | trans | -56.7 | 128.7 | 171.5 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | P10 L12 L30 Y45 P46 D47 | P10-T49 HydrophobicContact CB-CG2 4.07Å; P10-T49 WeakPolarHBondContact CB-OG1 3.38Å; P10-T49 CarbonylContact O-C 3.6Å; P10-T49 WeakPolarHBondContact O-CA 3.34Å; L12-T49 HydrophobicContact CB-CG2 3.72Å; L30-T49 HydrophobicContact CD1-CG2 4.37Å; Y45-T49 HydrophobicContact CD2-CG2 4.09Å; Y45-T49 HydrophobicContact CG-CG2 4.31Å; P46-T49 WeakPolarHBondContact O-CB 3.44Å; P46-T49 PolarHBondContact O-N 3.15Å; P46-T49 PolarHBondContact O-OG1 3.08Å; D47-T49 VanDerWaalsContact C-N 3.31Å; D47-T49 PolarHBondContact O-N 3.39Å | ||
| 50 | E | 96.3 | Very high | 96.3 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.5 | 168.5 | -176.3 | 173.3 | 174.8 | 0 | 0 | 109.1 | P10 L11 L12 G48 | P10-E50 PolarHBondContact O-N 3.15Å; L11-E50 CarbonylContact C-O 3.59Å; L11-E50 WeakPolarHBondContact CA-O 3.22Å; L11-E50 HydrophobicContact CD1-CB 4.33Å; L11-E50 HydrophobicContact CD1-CG 4.36Å; L12-E50 PolarHBondContact N-O 3.14Å; G48-E50 PolarHBondContact O-N 3.13Å |
| 51 | I | 97.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 68.4 Ų | 68.4 | 42% | 0.415 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.2 | -179 | -55.8 | 174.7 | 0 | 0 | 0 | 108.6 | L12 K14 Y45 | L12-I51 HydrophobicContact CB-CG1 4.44Å; L12-I51 HydrophobicContact CD2-CG1 4.39Å; L12-I51 HydrophobicContact CD2-CG2 4.43Å; K14-I51 HydrophobicContact CB-CG2 4.27Å; K14-I51 HydrophobicContact CD-CG2 4.38Å; Y45-I51 HydrophobicContact CE2-CD1 4.01Å |
| 52 | I | 97.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.2 | 174 | -57.2 | -178.2 | 0 | 0 | 0 | 108.4 | L11 L12 L13 K14 V54 I429 M462 I469 | L11-I52 HydrophobicContact CD1-CB 4.42Å; L11-I52 HydrophobicContact CD1-CD1 3.44Å; L11-I52 VanDerWaalsContact CD1-CD1 3.44Å; L11-I52 HydrophobicContact CD1-CG1 3.61Å; L11-I52 HydrophobicContact CD2-CD1 4.48Å; L12-I52 PolarHBondContact O-N 3.33Å; L13-I52 HydrophobicContact CD2-CB 3.98Å; L13-I52 HydrophobicContact CD2-CD1 4.28Å; L13-I52 HydrophobicContact CD2-CG2 4.48Å; K14-I52 PolarHBondContact N-O 2.87Å; I52-V54 HydrophobicContact CG2-CG1 3.97Å; I52-V54 PolarHBondContact O-N 3.42Å; I52-I429 HydrophobicContact CG2-CD1 4.34Å; I52-M462 HydrophobicContact CD1-CE 4Å; I52-M462 HydrophobicContact CD1-SD 3.82Å; I52-M462 HydrophobicContact CG2-CE 4.46Å; I52-I469 HydrophobicContact CD1-CD1 3.83Å |
| 53 | D | 97.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 119.5 | 171.8 | -169.7 | -25.9 | 0 | 0 | 0 | 109.8 | N55 | D53-N55 VanDerWaalsContact CG-ND2 3.34Å; D53-N55 VanDerWaalsContact OD1-CB 3.23Å; D53-N55 WeakPolarHBondContact OD1-CB 3.2Å; D53-N55 VanDerWaalsContact OD1-CG 3.3Å; D53-N55 PolarHBondContact OD1-N 3.2Å; D53-N55 PolarHBondContact OD1-ND2 3.23Å; D53-N55 PolarHBondContact OD2-ND2 2.96Å |
| 54 | V | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -121.8 | 23.1 | 179.5 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | L13 K14 G16 I52 N56 K57 L59 I429 | L13-V54 HydrophobicContact CB-CG2 4.02Å; L13-V54 HydrophobicContact CD2-CG1 4.5Å; K14-V54 WeakPolarHBondContact O-CG2 3.4Å; K14-V54 PolarHBondContact O-N 3.47Å; G16-V54 WeakPolarHBondContact CA-O 3.44Å; I52-V54 HydrophobicContact CG2-CG1 3.97Å; I52-V54 PolarHBondContact O-N 3.42Å; V54-N56 PolarHBondContact O-N 2.73Å; V54-K57 HydrophobicContact CB-CB 4.44Å; V54-K57 WeakPolarHBondContact O-CB 3.4Å; V54-K57 PolarHBondContact O-N 3.25Å; V54-L59 HydrophobicContact CB-CD2 4.21Å; V54-L59 HydrophobicContact CG1-CD2 4.27Å; V54-L59 HydrophobicContact CG2-CD1 4.28Å; V54-L59 HydrophobicContact CG2-CD2 4.12Å; V54-I429 HydrophobicContact CG1-CD1 3.52Å; V54-I429 HydrophobicContact CG1-CG1 3.99Å; V54-I429 HydrophobicContact CG1-CG2 3.95Å | ||
| 55 | N | 97.2 | Very high | 97.1 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 136.8 | 174.3 | -79.5 | -63.8 | 0 | 0 | 0 | 111.3 | G15 D53 K57 | G15-N55 WeakPolarHBondContact O-CA 3.45Å; G15-N55 PolarHBondContact O-OD1 2.88Å; D53-N55 VanDerWaalsContact CG-ND2 3.34Å; D53-N55 VanDerWaalsContact OD1-CB 3.23Å; D53-N55 WeakPolarHBondContact OD1-CB 3.2Å; D53-N55 VanDerWaalsContact OD1-CG 3.3Å; D53-N55 PolarHBondContact OD1-N 3.2Å; D53-N55 PolarHBondContact OD1-ND2 3.23Å; D53-N55 PolarHBondContact OD2-ND2 2.96Å; N55-K57 PolarHBondContact O-N 2.98Å |
| 56 | N | 96.5 | Very high | 97.3 | Very high | 154 Ų | 154 | 43.1 Ų | 43.1 | 82% | 0.824 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 15.2 | -177.2 | -50.4 | -52 | 0 | 0 | 0 | 115 | V54 | V54-N56 PolarHBondContact O-N 2.73Š|
| 57 | K | 98 | Very high | 97.5 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | trans | -110.7 | 156.8 | 173.2 | -52.5 | -175.6 | -172.4 | -179.8 | 0 | 110.3 | T17 V54 N55 I429 E461 | T17-K57 PolarHBondContact N-O 3.4Å; V54-K57 HydrophobicContact CB-CB 4.44Å; V54-K57 WeakPolarHBondContact O-CB 3.4Å; V54-K57 PolarHBondContact O-N 3.25Å; N55-K57 PolarHBondContact O-N 2.98Å; K57-I429 HydrophobicContact CB-CG2 3.95Å; K57-I429 HydrophobicContact CD-CG2 3.42Å; K57-I429 VanDerWaalsContact CD-CG2 3.42Å; K57-I429 HydrophobicContact CG-CG2 4.31Å; K57-E461 VanDerWaalsContact CE-OE2 3.27Å; K57-E461 WeakPolarHBondContact CE-OE2 2.98Å; K57-E461 IonicContact NZ-OE1 3.69Å; K57-E461 PolarHBondContact NZ-OE1 3.42Å; K57-E461 IonicContact NZ-OE2 3.56Å; K57-E461 PolarHBondContact NZ-OE2 3.31Å | ||
| 58 | L | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 140.8 | 173.4 | -50.8 | 178.9 | 0 | 0 | 0 | 109.7 | T17 V19 L60 W384 W430 | T17-L58 HydrophobicContact CG2-CD2 4.03Å; T17-L58 CarbonylContact O-C 3.55Å; T17-L58 WeakPolarHBondContact O-CA 3.43Å; V19-L58 HydrophobicContact CG2-CB 4.26Å; V19-L58 HydrophobicContact CG2-CD2 4.17Å; L58-L60 HydrophobicContact CB-CD2 3.87Å; L58-L60 HydrophobicContact CB-CG 4.38Å; L58-L60 HydrophobicContact CD1-CD2 4.45Å; L58-W384 HydrophobicContact CD1-CH2 3.35Å; L58-W384 HydrophobicContact CD1-CZ2 3.84Å; L58-W384 HydrophobicContact CD1-CZ3 4.34Å; L58-W430 HydrophobicContact CB-CB 4.2Å; L58-W430 PolarHBondContact N-O 3.42Å; L58-W430 PolarHBondContact O-N 3.07Å |
| 59 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.3 | 169.5 | -55.9 | -178 | 0 | 0 | 0 | 107.4 | L13 T17 V18 V19 V29 V54 I419 I427 L428 I429 | L13-L59 HydrophobicContact CB-CD1 4.19Å; L13-L59 HydrophobicContact CD1-CD1 4.25Å; L13-L59 HydrophobicContact CD1-CD2 4.09Å; T17-L59 PolarHBondContact O-N 2.88Å; V18-L59 HydrophobicContact CG2-CB 4.37Å; V18-L59 HydrophobicContact CG2-CD1 4.11Å; V19-L59 PolarHBondContact N-O 2.95Å; V29-L59 HydrophobicContact CG2-CD1 3.77Å; V54-L59 HydrophobicContact CB-CD2 4.21Å; V54-L59 HydrophobicContact CG1-CD2 4.27Å; V54-L59 HydrophobicContact CG2-CD1 4.28Å; V54-L59 HydrophobicContact CG2-CD2 4.12Å; L59-I419 HydrophobicContact CB-CD1 3.9Å; L59-I419 VanDerWaalsContact O-CD1 3.31Å; L59-I419 WeakPolarHBondContact O-CD1 3.3Å; L59-I427 HydrophobicContact CB-CG2 4.24Å; L59-I427 HydrophobicContact CD2-CG2 4.29Å; L59-L428 WeakPolarHBondContact CA-O 3.5Å; L59-I429 HydrophobicContact CD2-CB 4.5Å; L59-I429 HydrophobicContact CD2-CG1 3.78Å |
| 60 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.8 | -179.7 | -44.3 | -178.8 | 0 | 0 | 0 | 109.3 | V19 L58 W384 F398 V399 L428 W430 | V19-L60 HydrophobicContact CB-CD2 3.58Å; V19-L60 HydrophobicContact CG1-CD2 4.24Å; V19-L60 HydrophobicContact CG2-CD2 3.75Å; L58-L60 HydrophobicContact CB-CD2 3.87Å; L58-L60 HydrophobicContact CB-CG 4.38Å; L58-L60 HydrophobicContact CD1-CD2 4.45Å; L60-W384 HydrophobicContact CD1-CE3 4.45Å; L60-W384 HydrophobicContact CD1-CZ3 4.07Å; L60-F398 HydrophobicContact CD1-CD1 4.22Å; L60-F398 HydrophobicContact CD1-CE1 3.82Å; L60-V399 HydrophobicContact CB-CG2 4.37Å; L60-V399 HydrophobicContact CD2-CG2 4.14Å; L60-L428 HydrophobicContact CB-CB 4.2Å; L60-L428 HydrophobicContact CB-CD1 4.37Å; L60-L428 PolarHBondContact N-O 2.85Å; L60-L428 PolarHBondContact O-N 3.2Å; L60-W430 HydrophobicContact CD1-CB 3.91Å; L60-W430 HydrophobicContact CD1-CD2 3.9Å; L60-W430 HydrophobicContact CD1-CE3 3.75Å; L60-W430 HydrophobicContact CD1-CG 4Å; L60-W430 HydrophobicContact CG-CB 4.17Å |
| 61 | P | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 146.3 | 164 | -22 | 31.7 | 0 | 0 | 0 | 111 | V19 V399 I419 | V19-P61 VanDerWaalsContact O-CD 3.24Å; V19-P61 WeakPolarHBondContact O-CD 3.42Å; P61-V399 HydrophobicContact CG-CG1 3.74Å; P61-I419 HydrophobicContact CG-CG1 4.14Å |
| 62 | G | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 137.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T96 S403 D426 | G62-T96 WeakPolarHBondContact CA-OG1 3.32Å; G62-S403 PolarHBondContact O-OG 3.33Å; G62-D426 PolarHBondContact N-O 2.85Å |
| 63 | G | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G94 T95 T96 T97 | G63-G94 PolarHBondContact N-O 2.88Å; G63-T95 CarbonylContact O-C 3.31Å; G63-T95 WeakPolarHBondContact O-CA 3.39Å; G63-T95 WeakPolarHBondContact O-CG2 3.43Å; G63-T96 PolarHBondContact O-N 3.31Å; G63-T97 PolarHBondContact O-N 2.77Å |
| 64 | I | 98.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118 | 178.7 | -54 | -176.8 | 0 | 0 | 0 | 108.8 | L66 T97 R379 T402 P406 A407 I410 K416 | I64-L66 HydrophobicContact CG2-CD2 4.03Å; I64-T97 CarbonylContact C-O 3.51Å; I64-T97 VanDerWaalsContact CA-O 3.31Å; I64-T97 WeakPolarHBondContact CA-O 3.36Å; I64-T97 HydrophobicContact CG2-CG2 3.99Å; I64-R379 PolarHBondContact O-NH1 2.83Å; I64-R379 PolarHBondContact O-NH2 3.33Å; I64-T402 PolarHBondContact N-O 2.57Å; I64-T402 VanDerWaalsContact O-O 3.1Å; I64-P406 HydrophobicContact CB-CB 3.79Å; I64-P406 HydrophobicContact CG2-CB 3.79Å; I64-A407 HydrophobicContact CD1-CB 3.65Å; I64-I410 HydrophobicContact CG2-CD1 4.47Å; I64-K416 HydrophobicContact CD1-CB 3.89Å |
| 65 | D | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.3 | 179 | -164.3 | -6.8 | 0 | 0 | 0 | 110.9 | D67 T95 T97 I98 V99 G347 S348 L376 R379 | D65-D67 PolarHBondContact OD1-N 2.87Å; D65-T95 HydrophobicContact CB-CG2 4.09Å; D65-T97 PolarHBondContact N-O 2.99Å; D65-I98 HydrophobicContact CB-CG2 4.26Å; D65-I98 CarbonylContact O-C 3.49Å; D65-I98 WeakPolarHBondContact O-CA 3.21Å; D65-V99 PolarHBondContact O-N 2.92Å; D65-G347 VanDerWaalsContact OD1-CA 3.24Å; D65-G347 WeakPolarHBondContact OD1-CA 3.35Å; D65-S348 PolarHBondContact OD1-N 3.19Å; D65-S348 WeakPolarHBondContact OD2-CB 3.5Å; D65-S348 PolarHBondContact OD2-N 3.42Å; D65-S348 VanDerWaalsContact OD2-N 3.12Å; D65-S348 PolarHBondContact OD2-OG 2.81Å; D65-L376 HydrophobicContact CB-CD1 4.29Å; D65-L376 WeakPolarHBondContact OD2-CD1 3.29Å; D65-R379 IonicContact OD2-NE 3.58Å |
| 66 | L | 98.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -3.9 | 178.9 | -56.7 | -172.6 | 0 | 0 | 0 | 113.5 | I64 V99 L157 P406 L409 I410 | I64-L66 HydrophobicContact CG2-CD2 4.03Å; L66-V99 HydrophobicContact CD2-CB 4.21Å; L66-V99 HydrophobicContact CD2-CG2 3.59Å; L66-L157 HydrophobicContact CB-CD2 4.38Å; L66-P406 HydrophobicContact CD1-CB 4.12Å; L66-P406 HydrophobicContact CD2-CB 4.3Å; L66-P406 HydrophobicContact CG-CB 4.01Å; L66-L409 HydrophobicContact CD1-CB 4.05Å; L66-L409 HydrophobicContact CD1-CD1 3.83Å; L66-I410 HydrophobicContact CD1-CG2 4.22Å; L66-I410 HydrophobicContact CD2-CD1 3.99Å; L66-I410 HydrophobicContact CD2-CG2 3.74Å |
| 67 | D | 97.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 93 | -175.8 | 179.7 | 21.2 | 0 | 0 | 0 | 110.6 | D65 R259 Q283 S348 G349 | D65-D67 PolarHBondContact OD1-N 2.87Å; D67-R259 IonicContact OD1-CZ 2.67Å; D67-R259 IonicContact OD1-NE 3.8Å; D67-R259 PolarHBondContact OD1-NE 2.91Å; D67-R259 IonicContact OD1-NH2 2.77Å; D67-R259 PolarHBondContact OD1-NH2 3.04Å; D67-R259 VanDerWaalsContact OD2-CG 3.3Å; D67-R259 WeakPolarHBondContact OD2-CG 3.35Å; D67-R259 IonicContact OD2-CZ 3.97Å; D67-R259 IonicContact OD2-NE 2.63Å; D67-R259 PolarHBondContact OD2-NE 3.19Å; D67-R259 IonicContact OD2-NH2 2.9Å; D67-Q283 VanDerWaalsContact CB-NE2 3.34Å; D67-S348 PolarHBondContact O-OG 2.76Å; D67-S348 VanDerWaalsContact O-OG 3.06Å; D67-G349 WeakPolarHBondContact O-CA 3.49Å; D67-G349 PolarHBondContact O-N 2.85Å; D67-G349 WeakPolarHBondContact OD2-CA 3.4Å |
| 68 | C | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.7 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | V99 N100 T101 H350 | C68-V99 PolarHBondContact SG-O 3.23Å; C68-N100 PolarHBondContact O-OD1 3.19Å; C68-T101 PolarHBondContact O-N 2.92Å; C68-H350 HydrophobicContact CB-CB 4.18Å |
| 69 | H | 95.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | trans | -132.3 | 100 | 177.9 | -61.3 | -79.3 | 0 | 0 | 0 | 109.7 | T101 R134 R259 H350 R351 | H69-T101 WeakPolarHBondContact CE1-CB 3.36Å; H69-R134 PolarHBondContact CE1-NH2 2.81Å; H69-R134 PolarHBondContact NE2-NH2 3.01Å; H69-R259 PolarHBondContact CD2-NH2 2.78Å; H69-R259 PolarHBondContact NE2-NH2 2.86Å; H69-H350 PolarHBondContact N-O 3.24Å; H69-R351 HydrophobicContact CB-CB 4.25Å; H69-R351 HydrophobicContact CB-CG 4.41Å | ||
| 70 | I | 95.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -125.1 | 145 | 174.3 | 65.6 | 167.7 | 0 | 0 | 0 | 108.4 | Y83 A86 I98 N100 L125 | I70-Y83 HydrophobicContact CD1-CD1 3.85Å; I70-Y83 HydrophobicContact CD1-CE1 4.42Å; I70-Y83 HydrophobicContact CG1-CD1 4.09Å; I70-Y83 HydrophobicContact CG1-CE1 4.2Å; I70-A86 HydrophobicContact CB-CB 4.14Å; I70-A86 HydrophobicContact CD1-CB 4.07Å; I70-A86 HydrophobicContact CG2-CB 3.59Å; I70-I98 HydrophobicContact CD1-CD1 3.48Å; I70-I98 VanDerWaalsContact CD1-CD1 3.48Å; I70-I98 HydrophobicContact CG1-CD1 4.3Å; I70-N100 HydrophobicContact CG1-CB 4.26Å; I70-N100 VanDerWaalsContact CG1-OD1 3.27Å; I70-N100 WeakPolarHBondContact CG1-OD1 3.37Å; I70-N100 PolarHBondContact N-OD1 3.28Å; I70-N100 PolarHBondContact O-ND2 2.77Å; I70-N100 PolarHBondContact O-OD1 2.81Å; I70-L125 HydrophobicContact CD1-CD1 3.46Å; I70-L125 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 71 | G | 87.3 | Confident | 90.3 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | trans | 175.8 | -178.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 72 | V | 81.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 29.7 Ų | 29.7 | 64% | 0.642 | 19% | 0.191 | S | C | * | . | trans | -77.3 | 122.4 | 169 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | T74 Y83 | V72-T74 PolarHBondContact O-N 3.12Å; V72-Y83 HydrophobicContact CG2-CE2 4.17Å | ||
| 73 | A | 80.6 | Confident | 89.9 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | trans | -60 | 137.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I79 | A73-I79 WeakPolarHBondContact CB-O 3.32Š| ||
| 74 | T | 76.7 | Confident | 89.6 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | trans | -115.5 | 169.7 | 168.2 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | V72 N76 D77 | V72-T74 PolarHBondContact O-N 3.12Å; T74-N76 PolarHBondContact O-N 3.39Å; T74-N76 PolarHBondContact OG1-N 3.41Å; T74-D77 PolarHBondContact N-O 2.75Å; T74-D77 CarbonylContact O-C 3.54Å; T74-D77 PolarHBondContact O-N 2.76Å; T74-D77 WeakPolarHBondContact OG1-CB 3.35Å; T74-D77 PolarHBondContact OG1-N 2.91Å | ||
| 75 | S | 72.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 36 Ų | 36 | 66% | 0.657 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -58.2 | -29.5 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 76 | N | 70.7 | Confident | 89.2 | Confident | 86 Ų | 86 | 36 Ų | 36 | 46% | 0.46 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -100 | -21.9 | -173.9 | -61.7 | -6.3 | 0 | 0 | 0 | 112.3 | T74 E173 | T74-N76 PolarHBondContact O-N 3.39Å; T74-N76 PolarHBondContact OG1-N 3.41Å; N76-E173 PolarHBondContact ND2-OE1 3.11Å |
| 77 | D | 78.6 | Confident | 89.1 | Confident | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -127.9 | 82.3 | 177 | -165.3 | 1.1 | 0 | 0 | 0 | 110.4 | T74 I79 N103 R351 | T74-D77 PolarHBondContact N-O 2.75Å; T74-D77 CarbonylContact O-C 3.54Å; T74-D77 PolarHBondContact O-N 2.76Å; T74-D77 WeakPolarHBondContact OG1-CB 3.35Å; T74-D77 PolarHBondContact OG1-N 2.91Å; D77-I79 PolarHBondContact O-N 3.38Å; D77-N103 PolarHBondContact OD2-ND2 3.32Å; D77-N103 VanDerWaalsContact OD2-ND2 3.1Å; D77-R351 IonicContact OD1-CZ 3.19Å; D77-R351 VanDerWaalsContact OD1-CZ 3.3Å; D77-R351 IonicContact OD1-NE 3.19Å; D77-R351 PolarHBondContact OD1-NE 2.97Å; D77-R351 IonicContact OD1-NH2 3.37Å; D77-R351 PolarHBondContact OD1-NH2 3.2Å |
| 78 | P | 87.3 | Confident | 88.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | trans | -69.1 | 128.5 | 176.8 | 25.8 | -34.3 | 0 | 0 | 0 | 111.3 | R351 V357 P370 | P78-R351 PolarHBondContact O-NH2 3.07Å; P78-V357 HydrophobicContact CB-CG1 3.67Å; P78-V357 HydrophobicContact CG-CG1 3.86Å; P78-P370 HydrophobicContact CG-CB 3.98Å; P78-P370 HydrophobicContact CG-CG 3.99Å | ||
| 79 | I | 93 | Very high | 88.8 | Confident | 22 Ų | 22 | 39 Ų | 39 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | trans | -133.1 | 128.8 | 173.4 | -61.3 | 177 | 0 | 0 | 0 | 107.6 | A73 D77 A352 | A73-I79 WeakPolarHBondContact CB-O 3.32Å; D77-I79 PolarHBondContact O-N 3.38Å; I79-A352 WeakPolarHBondContact CA-O 3.28Å | ||
| 80 | A | 95.5 | Very high | 88.8 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -86.2 | -28.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A352 T354 P444 V447 | A80-A352 HydrophobicContact CB-CB 4.12Å; A80-A352 PolarHBondContact N-O 3.49Å; A80-T354 HydrophobicContact CB-CG2 3.71Å; A80-P444 HydrophobicContact CB-CG 4.5Å; A80-V447 HydrophobicContact CB-CG2 3.46Å; A80-V447 VanDerWaalsContact CB-CG2 3.46Å | ||
| 81 | D | 94.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -81.8 | 148.6 | -179.9 | -90.1 | -53.2 | 0 | 0 | 0 | 112.2 | S85 A86 H350 A352 P444 | D81-S85 WeakPolarHBondContact OD1-CB 3.37Å; D81-S85 PolarHBondContact OD1-OG 3.25Å; D81-A86 HydrophobicContact CB-CB 4.11Å; D81-H350 IonicContact OD2-CE1 3.47Å; D81-H350 PolarHBondContact OD2-CE1 3.42Å; D81-H350 IonicContact OD2-NE2 2.86Å; D81-H350 PolarHBondContact OD2-NE2 2.9Å; D81-A352 HydrophobicContact CB-CB 4.21Å; D81-A352 WeakPolarHBondContact OD2-CB 3.47Å; D81-P444 HydrophobicContact CB-CG 4.36Å; D81-P444 VanDerWaalsContact CG-CG 3.48Å; D81-P444 WeakPolarHBondContact OD1-CD 3.3Å; D81-P444 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 82 | T | 93.6 | Very high | 89.2 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | trans | -89.4 | 166.1 | 162 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | L84 S85 A86 | T82-L84 PolarHBondContact O-N 2.92Å; T82-L84 PolarHBondContact OG1-N 2.97Å; T82-S85 PolarHBondContact N-OG 3.18Å; T82-S85 PolarHBondContact O-N 3.22Å; T82-S85 PolarHBondContact O-OG 2.79Å; T82-S85 PolarHBondContact OG1-N 2.63Å; T82-S85 PolarHBondContact OG1-OG 2.9Å; T82-S85 VanDerWaalsContact OG1-OG 3.09Å; T82-A86 WeakPolarHBondContact O-CB 3.39Å; T82-A86 PolarHBondContact O-N 3.4Å | ||
| 83 | Y | 94.9 | Very high | 89.8 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.9 | -41.9 | 169.2 | -64 | -60.5 | 0 | 0 | 0 | 111.4 | I70 V72 G87 F117 S120 N124 L125 | I70-Y83 HydrophobicContact CD1-CD1 3.85Å; I70-Y83 HydrophobicContact CD1-CE1 4.42Å; I70-Y83 HydrophobicContact CG1-CD1 4.09Å; I70-Y83 HydrophobicContact CG1-CE1 4.2Å; V72-Y83 HydrophobicContact CG2-CE2 4.17Å; Y83-G87 PolarHBondContact O-N 3.18Å; Y83-F117 HydrophobicContact CD1-CE2 4.38Å; Y83-F117 AromaticContact CE1-CD2 3.93Å; Y83-F117 HydrophobicContact CE1-CD2 3.93Å; Y83-F117 AromaticContact CE1-CE2 3.59Å; Y83-F117 HydrophobicContact CE1-CE2 3.59Å; Y83-S120 VanDerWaalsContact CE2-CB 3.47Å; Y83-N124 CarbonylContact C-O 3.55Å; Y83-L125 HydrophobicContact CD1-CD1 4.47Å; Y83-L125 WeakPolarHBondContact O-CD1 3.31Å |
| 84 | L | 93 | Very high | 90.6 | Very high | 77 Ų | 77 | 31.6 Ų | 31.6 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.6 | -46.2 | -178.5 | -175.4 | 60.7 | 0 | 0 | 0 | 112.5 | T82 G87 K88 N124 | T82-L84 PolarHBondContact O-N 2.92Å; T82-L84 PolarHBondContact OG1-N 2.97Å; L84-G87 PolarHBondContact O-N 2.96Å; L84-K88 HydrophobicContact CD1-CD 4.46Å; L84-K88 HydrophobicContact CD1-CG 4.45Å; L84-K88 HydrophobicContact CG-CD 4.38Å; L84-K88 WeakPolarHBondContact O-CB 3.26Å; L84-K88 VanDerWaalsContact O-CG 3.29Å; L84-K88 WeakPolarHBondContact O-CG 3.17Å; L84-K88 PolarHBondContact O-N 3.12Å; L84-N124 WeakPolarHBondContact CA-O 3.18Å; L84-N124 WeakPolarHBondContact CB-O 3.31Å; L84-N124 PolarHBondContact N-O 2.72Å |
| 85 | S | 93.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.6 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | D81 T82 K88 A89 | D81-S85 WeakPolarHBondContact OD1-CB 3.37Å; D81-S85 PolarHBondContact OD1-OG 3.25Å; T82-S85 PolarHBondContact N-OG 3.18Å; T82-S85 PolarHBondContact O-N 3.22Å; T82-S85 PolarHBondContact O-OG 2.79Å; T82-S85 PolarHBondContact OG1-N 2.63Å; T82-S85 PolarHBondContact OG1-OG 2.9Å; T82-S85 VanDerWaalsContact OG1-OG 3.09Å; S85-K88 PolarHBondContact O-N 3.41Å; S85-A89 WeakPolarHBondContact O-CB 3.41Å; S85-A89 PolarHBondContact O-N 2.85Å |
| 86 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I70 D81 T82 K88 A89 A90 L376 | I70-A86 HydrophobicContact CB-CB 4.14Å; I70-A86 HydrophobicContact CD1-CB 4.07Å; I70-A86 HydrophobicContact CG2-CB 3.59Å; D81-A86 HydrophobicContact CB-CB 4.11Å; T82-A86 WeakPolarHBondContact O-CB 3.39Å; T82-A86 PolarHBondContact O-N 3.4Å; A86-K88 VanDerWaalsContact C-N 3.32Å; A86-K88 PolarHBondContact O-N 2.84Å; A86-A89 PolarHBondContact O-N 3.39Å; A86-A90 PolarHBondContact O-N 3.39Å; A86-L376 HydrophobicContact CB-CD2 4.41Å |
| 87 | G | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y83 L84 A90 L91 | Y83-G87 PolarHBondContact O-N 3.18Å; L84-G87 PolarHBondContact O-N 2.96Å; G87-A90 PolarHBondContact O-N 3.47Å; G87-L91 WeakPolarHBondContact O-CG 3.27Å; G87-L91 PolarHBondContact O-N 3.02Å; G87-L91 VanDerWaalsContact O-N 3.12Å |
| 88 | K | 94.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 18.6 Ų | 18.6 | 28% | 0.278 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 172 | -75.3 | -179.8 | 178.9 | -175.9 | 0 | 111.6 | L84 S85 A86 A90 L91 F92 F476 | L84-K88 HydrophobicContact CD1-CD 4.46Å; L84-K88 HydrophobicContact CD1-CG 4.45Å; L84-K88 HydrophobicContact CG-CD 4.38Å; L84-K88 WeakPolarHBondContact O-CB 3.26Å; L84-K88 VanDerWaalsContact O-CG 3.29Å; L84-K88 WeakPolarHBondContact O-CG 3.17Å; L84-K88 PolarHBondContact O-N 3.12Å; S85-K88 PolarHBondContact O-N 3.41Å; A86-K88 VanDerWaalsContact C-N 3.32Å; A86-K88 PolarHBondContact O-N 2.84Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 2.88Å; K88-L91 PolarHBondContact O-N 3.13Å; K88-F92 HydrophobicContact CB-CD2 4.34Å; K88-F92 HydrophobicContact CB-CE2 4.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.36Å; K88-F92 PolarHBondContact O-N 3.28Å; K88-F476 HydrophobicContact CD-CD1 4.35Å; K88-F476 HydrophobicContact CD-CD2 4.48Å; K88-F476 HydrophobicContact CD-CG 4.32Å; K88-F476 HydrophobicContact CG-CD1 4.41Å; K88-F476 HydrophobicContact CG-CD2 3.86Å; K88-F476 HydrophobicContact CG-CE1 4.33Å; K88-F476 HydrophobicContact CG-CE2 3.76Å; K88-F476 HydrophobicContact CG-CG 4.19Å; K88-F476 HydrophobicContact CG-CZ 4.01Å |
| 89 | A | 94.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S85 A86 L91 F92 G93 G377 I442 | S85-A89 WeakPolarHBondContact O-CB 3.41Å; S85-A89 PolarHBondContact O-N 2.85Å; A86-A89 PolarHBondContact O-N 3.39Å; A89-L91 PolarHBondContact O-N 3.24Å; A89-F92 PolarHBondContact O-N 3.04Å; A89-G93 PolarHBondContact O-N 3.24Å; A89-G93 VanDerWaalsContact O-N 3.07Å; A89-G377 WeakPolarHBondContact O-CA 3.45Å; A89-I442 HydrophobicContact CB-CB 4.22Å |
| 90 | A | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -55.7 | -51.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A86 G87 K88 G93 G94 T95 I98 C127 L376 | A86-A90 PolarHBondContact O-N 3.39Å; G87-A90 PolarHBondContact O-N 3.47Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 2.88Å; A90-G93 CarbonylContact O-C 3.59Å; A90-G93 WeakPolarHBondContact O-CA 3.39Å; A90-G93 PolarHBondContact O-N 3.49Å; A90-G94 PolarHBondContact O-N 3.08Å; A90-G94 VanDerWaalsContact O-N 3.13Å; A90-T95 CarbonylContact C-O 3.46Å; A90-T95 VanDerWaalsContact C-O 3.24Å; A90-T95 HydrophobicContact CB-CG2 4.25Å; A90-T95 WeakPolarHBondContact O-CA 3.34Å; A90-T95 WeakPolarHBondContact O-CB 3.37Å; A90-T95 PolarHBondContact O-N 3.24Å; A90-I98 HydrophobicContact CB-CG2 4.37Å; A90-C127 HydrophobicContact CB-CB 4.45Å; A90-L376 HydrophobicContact CB-CD1 4.24Å; A90-L376 HydrophobicContact CB-CD2 3.86Å; A90-L376 HydrophobicContact CB-CG 3.82Å |
| 91 | L | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | -178.5 | -70.6 | 170.9 | 0 | 0 | 0 | 112.8 | G87 K88 A89 G93 G94 T96 A126 C127 V463 L465 A470 V471 F476 | G87-L91 WeakPolarHBondContact O-CG 3.27Å; G87-L91 PolarHBondContact O-N 3.02Å; G87-L91 VanDerWaalsContact O-N 3.12Å; K88-L91 PolarHBondContact O-N 3.13Å; A89-L91 PolarHBondContact O-N 3.24Å; L91-G93 PolarHBondContact O-N 2.81Å; L91-G94 PolarHBondContact O-N 3.32Å; L91-T96 HydrophobicContact CD2-CG2 4.34Å; L91-A126 HydrophobicContact CD1-CB 3.73Å; L91-A126 WeakPolarHBondContact CD1-O 3.39Å; L91-C127 HydrophobicContact CD2-CB 4.19Å; L91-C127 HydrophobicContact CG-CB 4.11Å; L91-V463 HydrophobicContact CD2-CG1 3.98Å; L91-V463 VanDerWaalsContact O-CG2 3.29Å; L91-V463 WeakPolarHBondContact O-CG2 3.38Å; L91-L465 HydrophobicContact CD2-CD2 4.47Å; L91-A470 HydrophobicContact CD1-CB 4.17Å; L91-A470 HydrophobicContact CD2-CB 4.5Å; L91-V471 HydrophobicContact CB-CG2 3.98Å; L91-F476 HydrophobicContact CD1-CE2 3.73Å; L91-F476 HydrophobicContact CD1-CZ 4.48Å |
| 92 | F | 94.3 | Very high | 96 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 14% | 0.14 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59 | -32.4 | 173.2 | -79.2 | -57.1 | 0 | 0 | 0 | 112.5 | K88 A89 I438 I442 P460 V471 S474 F476 | K88-F92 HydrophobicContact CB-CD2 4.34Å; K88-F92 HydrophobicContact CB-CE2 4.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.36Å; K88-F92 PolarHBondContact O-N 3.28Å; A89-F92 PolarHBondContact O-N 3.04Å; F92-I438 HydrophobicContact CB-CG2 3.89Å; F92-I438 HydrophobicContact CD1-CG2 3.53Å; F92-I438 HydrophobicContact CD2-CG2 4.48Å; F92-I438 HydrophobicContact CE1-CG2 4.14Å; F92-I438 HydrophobicContact CG-CG2 3.74Å; F92-I442 HydrophobicContact CB-CG2 3.8Å; F92-I442 HydrophobicContact CD2-CG2 3.89Å; F92-I442 HydrophobicContact CG-CG2 4.05Å; F92-P460 WeakPolarHBondContact O-CG 3.12Å; F92-V471 HydrophobicContact CD1-CG1 3.74Å; F92-V471 HydrophobicContact CD1-CG2 4.09Å; F92-V471 HydrophobicContact CE1-CG1 3.91Å; F92-V471 HydrophobicContact CE1-CG2 4.32Å; F92-S474 WeakPolarHBondContact CE1-O 3.38Å; F92-F476 HydrophobicContact CE2-CB 4.47Å; F92-F476 HydrophobicContact CZ-CB 3.86Å |
| 93 | G | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 0.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A89 A90 L91 G377 M380 | A89-G93 PolarHBondContact O-N 3.24Å; A89-G93 VanDerWaalsContact O-N 3.07Å; A90-G93 CarbonylContact O-C 3.59Å; A90-G93 WeakPolarHBondContact O-CA 3.39Å; A90-G93 PolarHBondContact O-N 3.49Å; L91-G93 PolarHBondContact O-N 2.81Å; G93-G377 WeakPolarHBondContact CA-O 2.99Å; G93-M380 WeakPolarHBondContact O-CB 3.38Å; G93-M380 WeakPolarHBondContact O-CG 3.41Å |
| 94 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 15.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G63 A90 L91 L428 | G63-G94 PolarHBondContact N-O 2.88Å; A90-G94 PolarHBondContact O-N 3.08Å; A90-G94 VanDerWaalsContact O-N 3.13Å; L91-G94 PolarHBondContact O-N 3.32Å; G94-L428 WeakPolarHBondContact O-CD1 3.38Å; G94-L428 WeakPolarHBondContact O-CD2 3.09Å |
| 95 | T | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 109.6 | 169.3 | -63.9 | 0 | 0 | 0 | 0 | 109.2 | G63 D65 A90 T97 I98 L376 R379 | G63-T95 CarbonylContact O-C 3.31Å; G63-T95 WeakPolarHBondContact O-CA 3.39Å; G63-T95 WeakPolarHBondContact O-CG2 3.43Å; D65-T95 HydrophobicContact CB-CG2 4.09Å; A90-T95 CarbonylContact C-O 3.46Å; A90-T95 VanDerWaalsContact C-O 3.24Å; A90-T95 HydrophobicContact CB-CG2 4.25Å; A90-T95 WeakPolarHBondContact O-CA 3.34Å; A90-T95 WeakPolarHBondContact O-CB 3.37Å; A90-T95 PolarHBondContact O-N 3.24Å; T95-T97 WeakPolarHBondContact CG2-O 3.21Å; T95-I98 HydrophobicContact CG2-CG2 3.8Å; T95-L376 HydrophobicContact CG2-CD1 4.34Å; T95-R379 PolarHBondContact OG1-NH2 3.26Å |
| 96 | T | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -17.4 | -179.8 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | G62 G63 L91 C127 D128 D426 L428 V463 L465 | G62-T96 WeakPolarHBondContact CA-OG1 3.32Å; G63-T96 PolarHBondContact O-N 3.31Å; L91-T96 HydrophobicContact CD2-CG2 4.34Å; T96-C127 WeakPolarHBondContact O-CB 3.34Å; T96-D128 PolarHBondContact O-N 2.8Å; T96-D426 HydrophobicContact CG2-CB 4.19Å; T96-D426 PolarHBondContact OG1-OD2 3.02Å; T96-L428 HydrophobicContact CG2-CD2 4.35Å; T96-V463 HydrophobicContact CG2-CG1 3.82Å; T96-L465 HydrophobicContact CG2-CD1 4.36Å |
| 97 | T | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137 | 178.7 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | G63 I64 D65 T95 D128 K416 L487 | G63-T97 PolarHBondContact O-N 2.77Å; I64-T97 CarbonylContact C-O 3.51Å; I64-T97 VanDerWaalsContact CA-O 3.31Å; I64-T97 WeakPolarHBondContact CA-O 3.36Å; I64-T97 HydrophobicContact CG2-CG2 3.99Å; D65-T97 PolarHBondContact N-O 2.99Å; T95-T97 WeakPolarHBondContact CG2-O 3.21Å; T97-D128 CarbonylContact C-O 3.5Å; T97-D128 VanDerWaalsContact CA-O 3.23Å; T97-D128 WeakPolarHBondContact CA-O 3.28Å; T97-D128 HydrophobicContact CG2-CB 4.49Å; T97-K416 VanDerWaalsContact OG1-CD 3.28Å; T97-K416 WeakPolarHBondContact OG1-CD 3.48Å; T97-K416 WeakPolarHBondContact OG1-CE 3.48Å; T97-L487 HydrophobicContact CG2-CD1 3.38Å |
| 98 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 155.1 | 169.1 | 66.2 | 172.9 | 0 | 0 | 0 | 111 | D65 I70 A90 T95 L125 D128 Y129 G130 L376 | D65-I98 HydrophobicContact CB-CG2 4.26Å; D65-I98 CarbonylContact O-C 3.49Å; D65-I98 WeakPolarHBondContact O-CA 3.21Å; I70-I98 HydrophobicContact CD1-CD1 3.48Å; I70-I98 VanDerWaalsContact CD1-CD1 3.48Å; I70-I98 HydrophobicContact CG1-CD1 4.3Å; A90-I98 HydrophobicContact CB-CG2 4.37Å; T95-I98 HydrophobicContact CG2-CG2 3.8Å; I98-L125 HydrophobicContact CD1-CD1 4.27Å; I98-L125 HydrophobicContact CD1-CD2 3.93Å; I98-L125 HydrophobicContact CG1-CD2 4.26Å; I98-D128 PolarHBondContact N-O 3.34Å; I98-Y129 CarbonylContact O-C 3.48Å; I98-Y129 WeakPolarHBondContact O-CA 3.24Å; I98-G130 PolarHBondContact O-N 3.42Å; I98-L376 HydrophobicContact CG2-CD1 3.91Å; I98-L376 HydrophobicContact CG2-CD2 4.46Å |
| 99 | V | 98.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.3 | 161.8 | -177.9 | 0 | 0 | 0 | 0 | 106.2 | D65 L66 C68 G130 C132 L157 I410 | D65-V99 PolarHBondContact O-N 2.92Å; L66-V99 HydrophobicContact CD2-CB 4.21Å; L66-V99 HydrophobicContact CD2-CG2 3.59Å; C68-V99 PolarHBondContact SG-O 3.23Å; V99-G130 WeakPolarHBondContact CA-O 3.31Å; V99-C132 HydrophobicContact CG1-CB 3.78Å; V99-L157 HydrophobicContact CG1-CD2 3.94Å; V99-I410 HydrophobicContact CG2-CD1 3.84Å |
| 100 | N | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.2 | -175 | -176.1 | 52.6 | 0 | 0 | 0 | 110.6 | C68 I70 F117 G130 C132 | C68-N100 PolarHBondContact O-OD1 3.19Å; I70-N100 HydrophobicContact CG1-CB 4.26Å; I70-N100 VanDerWaalsContact CG1-OD1 3.27Å; I70-N100 WeakPolarHBondContact CG1-OD1 3.37Å; I70-N100 PolarHBondContact N-OD1 3.28Å; I70-N100 PolarHBondContact O-ND2 2.77Å; I70-N100 PolarHBondContact O-OD1 2.81Å; N100-F117 HydrophobicContact CB-CE2 3.92Å; N100-F117 HydrophobicContact CB-CZ 3.74Å; N100-F117 WeakPolarHBondContact ND2-CE2 3.25Å; N100-G130 PolarHBondContact N-O 2.85Å; N100-C132 PolarHBondContact O-N 3.35Å |
| 101 | T | 97.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.9 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | C68 H69 C132 R134 | C68-T101 PolarHBondContact O-N 2.92Å; H69-T101 WeakPolarHBondContact CE1-CB 3.36Å; T101-C132 CarbonylContact C-O 3.55Å; T101-C132 WeakPolarHBondContact CA-O 3.43Å; T101-R134 HydrophobicContact CG2-CB 3.9Å |
| 102 | V | 95.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.3 | 176.5 | 180 | 0 | 0 | 0 | 0 | 108.4 | A113 F117 V131 C132 L133 R134 | V102-A113 HydrophobicContact CG1-CB 4.14Å; V102-F117 HydrophobicContact CG1-CB 4.26Å; V102-F117 HydrophobicContact CG2-CB 3.67Å; V102-F117 HydrophobicContact CG2-CD1 4.01Å; V102-F117 HydrophobicContact CG2-CD2 3.66Å; V102-F117 HydrophobicContact CG2-CE2 4.36Å; V102-F117 HydrophobicContact CG2-CG 3.47Å; V102-F117 VanDerWaalsContact CG2-CG 3.47Å; V102-V131 HydrophobicContact CB-CG1 4.38Å; V102-V131 HydrophobicContact CG2-CG1 3.87Å; V102-C132 PolarHBondContact N-O 3.14Å; V102-L133 HydrophobicContact CB-CD2 4.07Å; V102-L133 HydrophobicContact CG1-CD2 4.16Å; V102-L133 WeakPolarHBondContact O-CA 3.24Å; V102-R134 PolarHBondContact O-N 3.29Å |
| 103 | N | 93.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 24 Ų | 24 | 13% | 0.128 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.9 | 174.5 | -62.7 | -41.7 | 0 | 0 | 0 | 109.3 | D77 Y105 R134 | D77-N103 PolarHBondContact OD2-ND2 3.32Å; D77-N103 VanDerWaalsContact OD2-ND2 3.1Å; N103-Y105 HydrophobicContact CB-CD2 4.42Å; N103-Y105 HydrophobicContact CB-CE1 4.28Å; N103-Y105 HydrophobicContact CB-CE2 3.91Å; N103-Y105 PolarHBondContact ND2-OH 3.06Å; N103-R134 PolarHBondContact OD1-NH1 3.47Å |
| 104 | A | 93.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -106.4 | 101.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L110 A113 R134 A136 | A104-L110 HydrophobicContact CB-CD2 3.5Å; A104-L110 VanDerWaalsContact CB-CD2 3.5Å; A104-A113 HydrophobicContact CB-CB 4.08Å; A104-R134 PolarHBondContact N-O 3.38Å; A104-A136 VanDerWaalsContact O-CB 3.22Å; A104-A136 WeakPolarHBondContact O-CB 3.35Å | ||
| 105 | Y | 90.8 | Very high | 96 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | trans | -69.3 | 161.3 | -172.4 | -67.5 | -78.9 | 0 | 0 | 0 | 111.7 | N103 G107 E108 E173 | N103-Y105 HydrophobicContact CB-CD2 4.42Å; N103-Y105 HydrophobicContact CB-CE1 4.28Å; N103-Y105 HydrophobicContact CB-CE2 3.91Å; N103-Y105 PolarHBondContact ND2-OH 3.06Å; Y105-G107 PolarHBondContact O-N 3.24Å; Y105-E108 WeakPolarHBondContact CD2-OE2 3.32Å; Y105-E108 PolarHBondContact N-OE2 3.49Å; Y105-E108 VanDerWaalsContact O-CB 3.31Å; Y105-E108 WeakPolarHBondContact O-CB 3.47Å; Y105-E108 PolarHBondContact O-N 2.93Å; Y105-E173 WeakPolarHBondContact CE1-O 3.17Å | ||
| 106 | P | 88.9 | Confident | 95.9 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 123.9 | 175.6 | -29.2 | 34.2 | 0 | 0 | 0 | 113.3 | E108 A136 D171 N172 | P106-E108 VanDerWaalsContact C-N 3.33Å; P106-A136 HydrophobicContact CG-CB 3.81Å; P106-D171 WeakPolarHBondContact CG-O 3.27Å; P106-N172 WeakPolarHBondContact CD-O 3.36Å |
| 107 | G | 88.8 | Confident | 95.8 | Very high | 89 Ų | 89 | 34.9 Ų | 34.9 | 92% | 0.918 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y105 | Y105-G107 PolarHBondContact O-N 3.24Š|
| 108 | E | 92.7 | Very high | 95.7 | Very high | 98 Ų | 98 | 36.2 Ų | 36.2 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | trans | -84.5 | 146.9 | 173.1 | -61.2 | -175.1 | 155.9 | 0 | 0 | 111.9 | Y105 P106 | Y105-E108 WeakPolarHBondContact CD2-OE2 3.32Å; Y105-E108 PolarHBondContact N-OE2 3.49Å; Y105-E108 VanDerWaalsContact O-CB 3.31Å; Y105-E108 WeakPolarHBondContact O-CB 3.47Å; Y105-E108 PolarHBondContact O-N 2.93Å; P106-E108 VanDerWaalsContact C-N 3.33Å | ||
| 109 | S | 97.1 | Very high | 95.6 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -76.7 | 134.6 | 171 | 164.8 | 0 | 0 | 0 | 0 | 110.3 | I111 N112 A113 E145 | S109-I111 VanDerWaalsContact C-N 3.25Å; S109-I111 PolarHBondContact O-N 3.16Å; S109-I111 PolarHBondContact OG-N 3.36Å; S109-N112 PolarHBondContact O-N 3.41Å; S109-N112 PolarHBondContact OG-N 3.16Å; S109-A113 PolarHBondContact O-N 3.24Å; S109-E145 WeakPolarHBondContact CB-OE1 3.29Å; S109-E145 PolarHBondContact OG-OE1 3.46Å | ||
| 110 | L | 98.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 174.1 | -65.4 | 176.6 | 0 | 0 | 0 | 111.6 | A104 Y114 L133 L135 T142 E145 L146 L149 | A104-L110 HydrophobicContact CB-CD2 3.5Å; A104-L110 VanDerWaalsContact CB-CD2 3.5Å; L110-Y114 WeakPolarHBondContact O-CB 3.23Å; L110-Y114 PolarHBondContact O-N 2.81Å; L110-L133 HydrophobicContact CB-CD1 4.23Å; L110-L133 HydrophobicContact CD2-CB 4.35Å; L110-L135 HydrophobicContact CD1-CG 4.42Å; L110-L135 HydrophobicContact CD2-CD1 4.35Å; L110-L135 HydrophobicContact CD2-CG 4.13Å; L110-T142 HydrophobicContact CD1-CG2 3.58Å; L110-T142 HydrophobicContact CG-CG2 4.41Å; L110-E145 HydrophobicContact CB-CB 4.18Å; L110-E145 VanDerWaalsContact CB-OE2 3.24Å; L110-E145 WeakPolarHBondContact CB-OE2 3.34Å; L110-E145 HydrophobicContact CD1-CB 4.24Å; L110-E145 WeakPolarHBondContact CG-OE2 3.23Å; L110-E145 PolarHBondContact N-OE2 2.75Å; L110-L146 HydrophobicContact CD1-CD2 3.95Å; L110-L146 HydrophobicContact CD1-CG 4.05Å; L110-L149 HydrophobicContact CB-CD1 3.66Å; L110-L149 HydrophobicContact CD1-CD1 4.25Å |
| 111 | I | 98.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 178.1 | -65.6 | 174.4 | 0 | 0 | 0 | 109.8 | S109 A113 Y114 E115 E145 T148 L149 | S109-I111 VanDerWaalsContact C-N 3.25Å; S109-I111 PolarHBondContact O-N 3.16Å; S109-I111 PolarHBondContact OG-N 3.36Å; I111-A113 PolarHBondContact O-N 3.24Å; I111-Y114 WeakPolarHBondContact O-CB 3.45Å; I111-Y114 PolarHBondContact O-N 3Å; I111-E115 HydrophobicContact CG2-CG 4.25Å; I111-E115 WeakPolarHBondContact O-CG 3.48Å; I111-E115 PolarHBondContact O-N 3.44Å; I111-E145 HydrophobicContact CD1-CB 4.18Å; I111-E145 HydrophobicContact CD1-CG 3.91Å; I111-E145 HydrophobicContact CG1-CB 4.06Å; I111-E145 HydrophobicContact CG1-CG 4.05Å; I111-T148 HydrophobicContact CD1-CG2 3.78Å; I111-L149 HydrophobicContact CG1-CD2 4.49Å; I111-L149 HydrophobicContact CG1-CG 4.24Å |
| 112 | N | 97.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.4 | -70.1 | -10.6 | 0 | 0 | 0 | 111.6 | S109 Y114 E115 Q116 | S109-N112 PolarHBondContact O-N 3.41Å; S109-N112 PolarHBondContact OG-N 3.16Å; N112-Y114 VanDerWaalsContact C-N 3.32Å; N112-Y114 PolarHBondContact O-N 3.12Å; N112-E115 PolarHBondContact O-N 3.3Å; N112-Q116 WeakPolarHBondContact O-CB 3.36Å; N112-Q116 VanDerWaalsContact O-CG 3.27Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 2.86Å |
| 113 | A | 96.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V102 A104 S109 I111 F117 L133 | V102-A113 HydrophobicContact CG1-CB 4.14Å; A104-A113 HydrophobicContact CB-CB 4.08Å; S109-A113 PolarHBondContact O-N 3.24Å; I111-A113 PolarHBondContact O-N 3.24Å; A113-F117 WeakPolarHBondContact O-CB 3.28Å; A113-F117 PolarHBondContact O-N 2.95Å; A113-F117 VanDerWaalsContact O-N 3.09Å; A113-L133 HydrophobicContact CB-CD2 4.1Å |
| 114 | Y | 98.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 173.1 | 167.1 | -88.5 | 0 | 0 | 0 | 112.3 | L110 I111 N112 Q116 F117 V118 V131 L149 K153 V155 L486 | L110-Y114 WeakPolarHBondContact O-CB 3.23Å; L110-Y114 PolarHBondContact O-N 2.81Å; I111-Y114 WeakPolarHBondContact O-CB 3.45Å; I111-Y114 PolarHBondContact O-N 3Å; N112-Y114 VanDerWaalsContact C-N 3.32Å; N112-Y114 PolarHBondContact O-N 3.12Å; Y114-Q116 PolarHBondContact O-N 3.48Å; Y114-F117 PolarHBondContact O-N 3.07Å; Y114-V118 HydrophobicContact CD1-CG2 4.32Å; Y114-V118 HydrophobicContact CD2-CG2 4.1Å; Y114-V118 HydrophobicContact CE1-CG2 3.91Å; Y114-V118 HydrophobicContact CE2-CG2 3.7Å; Y114-V118 HydrophobicContact CG-CG2 4.4Å; Y114-V118 WeakPolarHBondContact O-CB 3.47Å; Y114-V118 WeakPolarHBondContact O-CG2 3.36Å; Y114-V118 PolarHBondContact O-N 2.91Å; Y114-V131 HydrophobicContact CD2-CB 4.03Å; Y114-V131 HydrophobicContact CD2-CG1 4.07Å; Y114-V131 HydrophobicContact CD2-CG2 3.77Å; Y114-V131 HydrophobicContact CE2-CB 4.26Å; Y114-V131 HydrophobicContact CE2-CG2 3.73Å; Y114-L149 HydrophobicContact CD1-CD2 4.3Å; Y114-L149 HydrophobicContact CD2-CD2 4.09Å; Y114-L149 HydrophobicContact CG-CD2 3.82Å; Y114-K153 HydrophobicContact CD1-CD 4.47Å; Y114-K153 HydrophobicContact CD1-CG 4.42Å; Y114-K153 HydrophobicContact CE1-CB 4.02Å; Y114-K153 HydrophobicContact CE1-CD 3.69Å; Y114-K153 HydrophobicContact CE1-CG 3.89Å; Y114-K153 HydrophobicContact CE2-CB 4.23Å; Y114-V155 HydrophobicContact CD2-CG2 3.71Å; Y114-V155 HydrophobicContact CE2-CG2 3.47Å; Y114-V155 VanDerWaalsContact CE2-CG2 3.47Å; Y114-L486 WeakPolarHBondContact OH-CD2 3.5Å |
| 115 | E | 98 | Very high | 94.9 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | -176.1 | -70.4 | -174.1 | 163.7 | 0 | 0 | 111.9 | I111 N112 V118 S119 K153 | I111-E115 HydrophobicContact CG2-CG 4.25Å; I111-E115 WeakPolarHBondContact O-CG 3.48Å; I111-E115 PolarHBondContact O-N 3.44Å; N112-E115 PolarHBondContact O-N 3.3Å; E115-V118 PolarHBondContact O-N 2.82Å; E115-S119 WeakPolarHBondContact O-CB 3.35Å; E115-S119 PolarHBondContact O-N 3.01Å; E115-K153 IonicContact OE1-NZ 3.71Å; E115-K153 PolarHBondContact OE1-NZ 2.95Å |
| 116 | Q | 96.2 | Very high | 95.1 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 173.1 | -74.3 | 177.8 | 3.7 | 0 | 0 | 111.8 | N112 Y114 S120 | N112-Q116 WeakPolarHBondContact O-CB 3.36Å; N112-Q116 VanDerWaalsContact O-CG 3.27Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 2.86Å; Y114-Q116 PolarHBondContact O-N 3.48Å; Q116-S120 WeakPolarHBondContact O-CB 3.43Å; Q116-S120 PolarHBondContact O-N 2.85Å; Q116-S120 PolarHBondContact O-OG 2.74Å |
| 117 | F | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 176.5 | 168.3 | -97.5 | 0 | 0 | 0 | 111.4 | Y83 N100 V102 A113 Y114 S119 S120 A121 Y129 V131 | Y83-F117 HydrophobicContact CD1-CE2 4.38Å; Y83-F117 AromaticContact CE1-CD2 3.93Å; Y83-F117 HydrophobicContact CE1-CD2 3.93Å; Y83-F117 AromaticContact CE1-CE2 3.59Å; Y83-F117 HydrophobicContact CE1-CE2 3.59Å; N100-F117 HydrophobicContact CB-CE2 3.92Å; N100-F117 HydrophobicContact CB-CZ 3.74Å; N100-F117 WeakPolarHBondContact ND2-CE2 3.25Å; V102-F117 HydrophobicContact CG1-CB 4.26Å; V102-F117 HydrophobicContact CG2-CB 3.67Å; V102-F117 HydrophobicContact CG2-CD1 4.01Å; V102-F117 HydrophobicContact CG2-CD2 3.66Å; V102-F117 HydrophobicContact CG2-CE2 4.36Å; V102-F117 HydrophobicContact CG2-CG 3.47Å; V102-F117 VanDerWaalsContact CG2-CG 3.47Å; A113-F117 WeakPolarHBondContact O-CB 3.28Å; A113-F117 PolarHBondContact O-N 2.95Å; A113-F117 VanDerWaalsContact O-N 3.09Å; Y114-F117 PolarHBondContact O-N 3.07Å; F117-S119 VanDerWaalsContact C-N 3.31Å; F117-S119 PolarHBondContact O-N 2.83Å; F117-S120 PolarHBondContact O-N 2.87Å; F117-S120 VanDerWaalsContact O-N 3.1Å; F117-A121 HydrophobicContact CE1-CB 4.26Å; F117-A121 HydrophobicContact CE2-CB 4.18Å; F117-A121 HydrophobicContact CZ-CB 3.97Å; F117-A121 VanDerWaalsContact O-CB 3.3Å; F117-A121 WeakPolarHBondContact O-CB 3.42Å; F117-A121 PolarHBondContact O-N 2.87Å; F117-Y129 AromaticContact CE1-CD2 3.72Å; F117-Y129 HydrophobicContact CE1-CD2 3.72Å; F117-Y129 AromaticContact CE1-CE2 3.97Å; F117-Y129 HydrophobicContact CE1-CE2 3.97Å; F117-Y129 AromaticContact CZ-CD2 4Å; F117-Y129 HydrophobicContact CZ-CD2 4Å; F117-Y129 HydrophobicContact CZ-CE2 4.44Å; F117-V131 HydrophobicContact CD1-CG1 4.31Å; F117-V131 HydrophobicContact CD1-CG2 3.64Å; F117-V131 HydrophobicContact CE1-CG2 3.64Å |
| 118 | V | 97.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | -178 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | Y114 E115 S120 A121 H122 V131 L486 | Y114-V118 HydrophobicContact CD1-CG2 4.32Å; Y114-V118 HydrophobicContact CD2-CG2 4.1Å; Y114-V118 HydrophobicContact CE1-CG2 3.91Å; Y114-V118 HydrophobicContact CE2-CG2 3.7Å; Y114-V118 HydrophobicContact CG-CG2 4.4Å; Y114-V118 WeakPolarHBondContact O-CB 3.47Å; Y114-V118 WeakPolarHBondContact O-CG2 3.36Å; Y114-V118 PolarHBondContact O-N 2.91Å; E115-V118 PolarHBondContact O-N 2.82Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 3.27Å; V118-A121 PolarHBondContact O-N 2.88Å; V118-H122 WeakPolarHBondContact O-CB 3.37Å; V118-H122 PolarHBondContact O-N 2.86Å; V118-V131 HydrophobicContact CG2-CG2 4.24Å; V118-L486 HydrophobicContact CG1-CD2 3.94Å; V118-L486 HydrophobicContact CG2-CD1 4.11Å; V118-L486 HydrophobicContact CG2-CD2 4.04Å |
| 119 | S | 96.2 | Very high | 96.1 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 63% | 0.629 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.8 | -37.8 | 176.7 | -174 | 0 | 0 | 0 | 0 | 112.3 | E115 F117 | E115-S119 WeakPolarHBondContact O-CB 3.35Å; E115-S119 PolarHBondContact O-N 3.01Å; F117-S119 VanDerWaalsContact C-N 3.31Å; F117-S119 PolarHBondContact O-N 2.83Å |
| 120 | S | 95.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -78.7 | -33.1 | -178.6 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | Y83 Q116 F117 V118 N124 | Y83-S120 VanDerWaalsContact CE2-CB 3.47Å; Q116-S120 WeakPolarHBondContact O-CB 3.43Å; Q116-S120 PolarHBondContact O-N 2.85Å; Q116-S120 PolarHBondContact O-OG 2.74Å; F117-S120 PolarHBondContact O-N 2.87Å; F117-S120 VanDerWaalsContact O-N 3.1Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 3.27Å; S120-N124 WeakPolarHBondContact O-CB 3.4Å; S120-N124 PolarHBondContact O-ND2 2.88Å |
| 121 | A | 95 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.9 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F117 V118 E123 N124 L125 Y129 | F117-A121 HydrophobicContact CE1-CB 4.26Å; F117-A121 HydrophobicContact CE2-CB 4.18Å; F117-A121 HydrophobicContact CZ-CB 3.97Å; F117-A121 VanDerWaalsContact O-CB 3.3Å; F117-A121 WeakPolarHBondContact O-CB 3.42Å; F117-A121 PolarHBondContact O-N 2.87Å; V118-A121 PolarHBondContact O-N 2.88Å; A121-E123 PolarHBondContact O-N 2.75Å; A121-N124 PolarHBondContact O-N 3.38Å; A121-L125 HydrophobicContact CB-CB 4.35Å; A121-L125 PolarHBondContact O-N 3.47Å; A121-Y129 HydrophobicContact CB-CD2 4.33Å; A121-Y129 HydrophobicContact CB-CE2 3.73Å |
| 122 | H | 94.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 39.6 Ų | 39.6 | 50% | 0.5 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.3 | 177.8 | -171.7 | 62.5 | 0 | 0 | 0 | 110.6 | V118 N124 Y129 | V118-H122 WeakPolarHBondContact O-CB 3.37Å; V118-H122 PolarHBondContact O-N 2.86Å; H122-N124 PolarHBondContact O-N 3.49Å; H122-N124 PolarHBondContact O-ND2 2.94Å; H122-Y129 PolarHBondContact N-OH 2.99Å |
| 123 | E | 90.5 | Very high | 96.2 | Very high | 138 Ų | 138 | 35.4 Ų | 35.4 | 65% | 0.645 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -13.9 | -174.7 | -58.5 | -177.2 | 159.5 | 0 | 0 | 116.4 | A121 | A121-E123 PolarHBondContact O-N 2.75Š|
| 124 | N | 93 | Very high | 96.2 | Very high | 83 Ų | 83 | 36.3 Ų | 36.3 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -20.8 | -179.1 | -66.6 | -48.8 | 0 | 0 | 0 | 113.8 | Y83 L84 S120 A121 H122 | Y83-N124 CarbonylContact C-O 3.55Å; L84-N124 WeakPolarHBondContact CA-O 3.18Å; L84-N124 WeakPolarHBondContact CB-O 3.31Å; L84-N124 PolarHBondContact N-O 2.72Å; S120-N124 WeakPolarHBondContact O-CB 3.4Å; S120-N124 PolarHBondContact O-ND2 2.88Å; A121-N124 PolarHBondContact O-N 3.38Å; H122-N124 PolarHBondContact O-N 3.49Å; H122-N124 PolarHBondContact O-ND2 2.94Å |
| 125 | L | 94.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -96.3 | 126.8 | 176.1 | -164.9 | 72 | 0 | 0 | 0 | 110.5 | I70 Y83 I98 A121 Y129 G484 | I70-L125 HydrophobicContact CD1-CD1 3.46Å; I70-L125 VanDerWaalsContact CD1-CD1 3.46Å; Y83-L125 HydrophobicContact CD1-CD1 4.47Å; Y83-L125 WeakPolarHBondContact O-CD1 3.31Å; I98-L125 HydrophobicContact CD1-CD1 4.27Å; I98-L125 HydrophobicContact CD1-CD2 3.93Å; I98-L125 HydrophobicContact CG1-CD2 4.26Å; A121-L125 HydrophobicContact CB-CB 4.35Å; A121-L125 PolarHBondContact O-N 3.47Å; L125-Y129 HydrophobicContact CB-CD1 4.33Å; L125-Y129 HydrophobicContact CB-CE1 4.43Å; L125-Y129 HydrophobicContact CD2-CD1 3.47Å; L125-Y129 VanDerWaalsContact CD2-CD1 3.47Å; L125-Y129 HydrophobicContact CD2-CD2 4.3Å; L125-Y129 HydrophobicContact CD2-CE1 4.28Å; L125-Y129 HydrophobicContact CD2-CG 3.45Å; L125-Y129 VanDerWaalsContact CD2-CG 3.45Å; L125-Y129 HydrophobicContact CG-CD1 4.4Å; L125-G484 WeakPolarHBondContact O-CA 3.37Å; L125-G484 PolarHBondContact O-N 3.03Å | ||
| 126 | A | 94.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -81.6 | -25.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L91 L465 F476 | L91-A126 HydrophobicContact CD1-CB 3.73Å; L91-A126 WeakPolarHBondContact CD1-O 3.39Å; A126-L465 VanDerWaalsContact O-CD2 3.27Å; A126-L465 WeakPolarHBondContact O-CD2 3.48Å; A126-F476 HydrophobicContact CB-CE2 4.03Å; A126-F476 HydrophobicContact CB-CZ 3.75Å |
| 127 | C | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -99.8 | 160 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | A90 L91 T96 G484 | A90-C127 HydrophobicContact CB-CB 4.45Å; L91-C127 HydrophobicContact CD2-CB 4.19Å; L91-C127 HydrophobicContact CG-CB 4.11Å; T96-C127 WeakPolarHBondContact O-CB 3.34Å; C127-G484 WeakPolarHBondContact O-CA 3.46Å |
| 128 | D | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 150.4 | 171.2 | -79 | -18.3 | 0 | 0 | 0 | 111 | T96 T97 I98 K416 R466 K485 L487 | T96-D128 PolarHBondContact O-N 2.8Å; T97-D128 CarbonylContact C-O 3.5Å; T97-D128 VanDerWaalsContact CA-O 3.23Å; T97-D128 WeakPolarHBondContact CA-O 3.28Å; T97-D128 HydrophobicContact CG2-CB 4.49Å; I98-D128 PolarHBondContact N-O 3.34Å; D128-K416 VanDerWaalsContact OD2-CE 3.28Å; D128-K416 WeakPolarHBondContact OD2-CE 3.45Å; D128-K416 IonicContact OD2-NZ 3.61Å; D128-K416 PolarHBondContact OD2-NZ 3.05Å; D128-R466 VanDerWaalsContact CG-NH1 3.25Å; D128-R466 IonicContact OD1-CZ 2.73Å; D128-R466 IonicContact OD1-NH1 3.68Å; D128-R466 PolarHBondContact OD1-NH1 3.24Å; D128-R466 IonicContact OD2-NH1 3.53Å; D128-R466 PolarHBondContact OD2-NH1 3.4Å; D128-K485 WeakPolarHBondContact CA-O 3.36Å; D128-K485 WeakPolarHBondContact OD1-CA 3.21Å; D128-K485 WeakPolarHBondContact OD1-CB 3.23Å; D128-K485 PolarHBondContact OD1-N 3.03Å; D128-L487 HydrophobicContact CB-CD2 4.33Å |
| 129 | Y | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.2 | -172.7 | 61.9 | -79.3 | 0 | 0 | 0 | 114.8 | I98 F117 A121 H122 L125 K485 L486 L487 | I98-Y129 CarbonylContact O-C 3.48Å; I98-Y129 WeakPolarHBondContact O-CA 3.24Å; F117-Y129 AromaticContact CE1-CD2 3.72Å; F117-Y129 HydrophobicContact CE1-CD2 3.72Å; F117-Y129 AromaticContact CE1-CE2 3.97Å; F117-Y129 HydrophobicContact CE1-CE2 3.97Å; F117-Y129 AromaticContact CZ-CD2 4Å; F117-Y129 HydrophobicContact CZ-CD2 4Å; F117-Y129 HydrophobicContact CZ-CE2 4.44Å; A121-Y129 HydrophobicContact CB-CD2 4.33Å; A121-Y129 HydrophobicContact CB-CE2 3.73Å; H122-Y129 PolarHBondContact N-OH 2.99Å; L125-Y129 HydrophobicContact CB-CD1 4.33Å; L125-Y129 HydrophobicContact CB-CE1 4.43Å; L125-Y129 HydrophobicContact CD2-CD1 3.47Å; L125-Y129 VanDerWaalsContact CD2-CD1 3.47Å; L125-Y129 HydrophobicContact CD2-CD2 4.3Å; L125-Y129 HydrophobicContact CD2-CE1 4.28Å; L125-Y129 HydrophobicContact CD2-CG 3.45Å; L125-Y129 VanDerWaalsContact CD2-CG 3.45Å; L125-Y129 HydrophobicContact CG-CD1 4.4Å; Y129-K485 PolarHBondContact N-O 3.17Å; Y129-L486 HydrophobicContact CD2-CD1 3.9Å; Y129-L486 HydrophobicContact CE2-CB 4.01Å; Y129-L486 HydrophobicContact CE2-CD1 3.74Å; Y129-L486 HydrophobicContact CE2-CG 4.46Å; Y129-L486 CarbonylContact O-C 3.54Å; Y129-L486 WeakPolarHBondContact O-CA 3.49Å; Y129-L487 PolarHBondContact O-N 3.4Å |
| 130 | G | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 175.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I98 V99 N100 | I98-G130 PolarHBondContact O-N 3.42Å; V99-G130 WeakPolarHBondContact CA-O 3.31Å; N100-G130 PolarHBondContact N-O 2.85Å |
| 131 | V | 98.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.3 | 177.4 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | V102 Y114 F117 V118 L133 V155 L486 | V102-V131 HydrophobicContact CB-CG1 4.38Å; V102-V131 HydrophobicContact CG2-CG1 3.87Å; Y114-V131 HydrophobicContact CD2-CB 4.03Å; Y114-V131 HydrophobicContact CD2-CG1 4.07Å; Y114-V131 HydrophobicContact CD2-CG2 3.77Å; Y114-V131 HydrophobicContact CE2-CB 4.26Å; Y114-V131 HydrophobicContact CE2-CG2 3.73Å; F117-V131 HydrophobicContact CD1-CG1 4.31Å; F117-V131 HydrophobicContact CD1-CG2 3.64Å; F117-V131 HydrophobicContact CE1-CG2 3.64Å; V118-V131 HydrophobicContact CG2-CG2 4.24Å; V131-L133 HydrophobicContact CG1-CG 4.19Å; V131-V155 HydrophobicContact CB-CG2 4.32Å; V131-L486 HydrophobicContact CG2-CD1 4.19Å |
| 132 | C | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.8 | 163.2 | 174.9 | 0 | 0 | 0 | 0 | 107.6 | V99 N100 T101 V102 L157 S159 | V99-C132 HydrophobicContact CG1-CB 3.78Å; N100-C132 PolarHBondContact O-N 3.35Å; T101-C132 CarbonylContact C-O 3.55Å; T101-C132 WeakPolarHBondContact CA-O 3.43Å; V102-C132 PolarHBondContact N-O 3.14Å; C132-L157 WeakPolarHBondContact CA-O 3.45Å; C132-L157 HydrophobicContact CB-CB 4.3Å; C132-L157 HydrophobicContact CB-CD2 4.09Å; C132-L157 HydrophobicContact CB-CG 4.17Å; C132-S159 PolarHBondContact SG-N 3.26Å |
| 133 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.5 | 177.5 | -75.7 | 158.3 | 0 | 0 | 0 | 109.9 | V102 L110 A113 V131 L135 L149 F158 S159 | V102-L133 HydrophobicContact CB-CD2 4.07Å; V102-L133 HydrophobicContact CG1-CD2 4.16Å; V102-L133 WeakPolarHBondContact O-CA 3.24Å; L110-L133 HydrophobicContact CB-CD1 4.23Å; L110-L133 HydrophobicContact CD2-CB 4.35Å; A113-L133 HydrophobicContact CB-CD2 4.1Å; V131-L133 HydrophobicContact CG1-CG 4.19Å; L133-L135 WeakPolarHBondContact O-CD1 3.39Å; L133-L149 HydrophobicContact CD1-CD1 3.39Å; L133-L149 HydrophobicContact CD1-CD2 3.82Å; L133-L149 HydrophobicContact CD1-CG 4.21Å; L133-F158 HydrophobicContact CB-CD1 4.02Å; L133-F158 HydrophobicContact CB-CE1 4.34Å; L133-F158 HydrophobicContact CD1-CE1 4.17Å; L133-F158 CarbonylContact O-C 3.58Å; L133-F158 WeakPolarHBondContact O-CA 3.18Å; L133-S159 PolarHBondContact O-N 3.27Å |
| 134 | R | 96.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 29 Ų | 29 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.8 | 172.1 | -170.9 | -174.6 | -76.2 | 148.5 | -10.9 | 110.2 | H69 T101 V102 N103 A104 S159 C175 E199 | H69-R134 PolarHBondContact CE1-NH2 2.81Å; H69-R134 PolarHBondContact NE2-NH2 3.01Å; T101-R134 HydrophobicContact CG2-CB 3.9Å; V102-R134 PolarHBondContact O-N 3.29Å; N103-R134 PolarHBondContact OD1-NH1 3.47Å; A104-R134 PolarHBondContact N-O 3.38Å; R134-S159 VanDerWaalsContact CA-O 3.24Å; R134-S159 WeakPolarHBondContact CA-O 3.31Å; R134-C175 HydrophobicContact CG-CB 3.76Å; R134-E199 IonicContact CZ-OE1 3.74Å; R134-E199 VanDerWaalsContact CZ-OE1 3.29Å; R134-E199 IonicContact NE-OE1 3.68Å; R134-E199 PolarHBondContact NE-OE1 3.25Å; R134-E199 IonicContact NH2-OE1 2.66Å; R134-E199 PolarHBondContact NH2-OE1 2.82Å; R134-E199 IonicContact NH2-OE2 3.16Å |
| 135 | L | 96 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 143.3 | -175.5 | -74.6 | 67.4 | 0 | 0 | 0 | 112.1 | L110 L133 T142 L146 F158 S159 V160 C175 I177 F185 | L110-L135 HydrophobicContact CD1-CG 4.42Å; L110-L135 HydrophobicContact CD2-CD1 4.35Å; L110-L135 HydrophobicContact CD2-CG 4.13Å; L133-L135 WeakPolarHBondContact O-CD1 3.39Å; L135-T142 HydrophobicContact CD2-CG2 3.94Å; L135-L146 HydrophobicContact CD2-CD1 4.44Å; L135-F158 HydrophobicContact CD1-CB 4.2Å; L135-F158 HydrophobicContact CD1-CD1 4.22Å; L135-S159 PolarHBondContact N-O 3.29Å; L135-S159 VanDerWaalsContact N-O 3.09Å; L135-V160 HydrophobicContact CB-CG1 4.29Å; L135-C175 CarbonylContact O-C 3.59Å; L135-C175 VanDerWaalsContact O-C 3.31Å; L135-I177 HydrophobicContact CB-CG2 4.28Å; L135-F185 HydrophobicContact CD1-CE2 4.18Å; L135-F185 HydrophobicContact CD2-CD2 3.61Å; L135-F185 HydrophobicContact CD2-CE2 3.78Å; L135-F185 HydrophobicContact CD2-CG 4.42Å |
| 136 | A | 93.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -105.6 | 2.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A104 P106 K165 C175 I176 | A104-A136 VanDerWaalsContact O-CB 3.22Å; A104-A136 WeakPolarHBondContact O-CB 3.35Å; P106-A136 HydrophobicContact CG-CB 3.81Å; A136-K165 PolarHBondContact O-NZ 2.93Å; A136-C175 HydrophobicContact CB-CB 4.24Å; A136-I176 CarbonylContact C-O 3.57Å |
| 137 | G | 93.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | trans | 178.4 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 138 | F | 94.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 30.6 Ų | 30.6 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | trans | -136.6 | 123 | 172.1 | -167.9 | -87.2 | 0 | 0 | 0 | 110.3 | T142 N143 L146 E181 S184 F185 I188 | F138-T142 HydrophobicContact CD2-CG2 4.28Å; F138-N143 HydrophobicContact CE1-CB 4.32Å; F138-N143 HydrophobicContact CZ-CB 3.86Å; F138-L146 HydrophobicContact CD2-CD1 4.45Å; F138-L146 HydrophobicContact CE2-CD1 3.82Å; F138-E181 HydrophobicContact CB-CB 3.61Å; F138-E181 HydrophobicContact CB-CG 3.9Å; F138-E181 PolarHBondContact N-OE1 2.86Å; F138-S184 VanDerWaalsContact CD1-CB 3.46Å; F138-F185 HydrophobicContact CD2-CB 3.76Å; F138-F185 HydrophobicContact CE2-CB 4.05Å; F138-I188 HydrophobicContact CE2-CG2 3.65Å; F138-I188 HydrophobicContact CZ-CG2 3.8Å | ||
| 139 | S | 96 | Very high | 97.3 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | trans | -134.9 | 179.6 | 173.6 | 78.2 | 0 | 0 | 0 | 0 | 111.2 | E141 T142 N143 | S139-E141 VanDerWaalsContact CB-OE2 3.23Å; S139-E141 WeakPolarHBondContact CB-OE2 3.37Å; S139-E141 PolarHBondContact O-N 2.8Å; S139-E141 PolarHBondContact OG-N 3.47Å; S139-E141 PolarHBondContact OG-OE2 3.06Å; S139-T142 PolarHBondContact N-OG1 3.03Å; S139-T142 PolarHBondContact O-N 2.7Å; S139-T142 PolarHBondContact OG-N 2.89Å; S139-T142 PolarHBondContact OG-OG1 3.25Å; S139-N143 WeakPolarHBondContact O-CB 3.33Å; S139-N143 PolarHBondContact O-N 2.96Å | ||
| 140 | S | 96.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 62% | 0.622 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.7 | -33.2 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | N143 N144 | S140-N143 WeakPolarHBondContact O-CB 3.23Å; S140-N143 PolarHBondContact O-N 2.8Å; S140-N144 PolarHBondContact O-N 2.92Å; S140-N144 PolarHBondContact O-ND2 3.4Å |
| 141 | E | 97.4 | Very high | 97.3 | Very high | 125 Ų | 125 | 39.2 Ų | 39.2 | 58% | 0.584 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.6 | -51 | 174 | -60.2 | 70.7 | -153.7 | 0 | 0 | 110.5 | S139 N143 N144 E145 | S139-E141 VanDerWaalsContact CB-OE2 3.23Å; S139-E141 WeakPolarHBondContact CB-OE2 3.37Å; S139-E141 PolarHBondContact O-N 2.8Å; S139-E141 PolarHBondContact OG-N 3.47Å; S139-E141 PolarHBondContact OG-OE2 3.06Å; E141-N143 PolarHBondContact O-N 2.54Å; E141-N144 PolarHBondContact O-N 3.25Å; E141-E145 WeakPolarHBondContact O-CG 3.44Å; E141-E145 PolarHBondContact O-N 3.39Å |
| 142 | T | 97.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.3 | -42 | 174.9 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | L110 L135 F138 S139 N144 E145 L146 | L110-T142 HydrophobicContact CD1-CG2 3.58Å; L110-T142 HydrophobicContact CG-CG2 4.41Å; L135-T142 HydrophobicContact CD2-CG2 3.94Å; F138-T142 HydrophobicContact CD2-CG2 4.28Å; S139-T142 PolarHBondContact N-OG1 3.03Å; S139-T142 PolarHBondContact O-N 2.7Å; S139-T142 PolarHBondContact OG-N 2.89Å; S139-T142 PolarHBondContact OG-OG1 3.25Å; T142-N144 PolarHBondContact O-N 2.97Å; T142-E145 PolarHBondContact O-N 3.3Å; T142-L146 HydrophobicContact CG2-CD1 4.38Å; T142-L146 VanDerWaalsContact O-CG 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.2Å |
| 143 | N | 98.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.3 | 179.9 | 91.5 | 0 | 0 | 0 | 112.2 | F138 S139 S140 E141 L146 I147 I188 | F138-N143 HydrophobicContact CE1-CB 4.32Å; F138-N143 HydrophobicContact CZ-CB 3.86Å; S139-N143 WeakPolarHBondContact O-CB 3.33Å; S139-N143 PolarHBondContact O-N 2.96Å; S140-N143 WeakPolarHBondContact O-CB 3.23Å; S140-N143 PolarHBondContact O-N 2.8Å; E141-N143 PolarHBondContact O-N 2.54Å; N143-L146 PolarHBondContact O-N 3.04Å; N143-I147 WeakPolarHBondContact O-CG1 3.25Å; N143-I147 PolarHBondContact O-N 3.4Å; N143-I188 WeakPolarHBondContact OD1-CD1 3.41Å; N143-I188 VanDerWaalsContact OD1-CG1 3.26Å; N143-I188 WeakPolarHBondContact OD1-CG1 3.48Å |
| 144 | N | 98.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.3 | -67.7 | -28.6 | 0 | 0 | 0 | 112 | S140 E141 T142 I147 T148 | S140-N144 PolarHBondContact O-N 2.92Å; S140-N144 PolarHBondContact O-ND2 3.4Å; E141-N144 PolarHBondContact O-N 3.25Å; T142-N144 PolarHBondContact O-N 2.97Å; N144-I147 WeakPolarHBondContact O-CB 3.25Å; N144-I147 PolarHBondContact O-N 3.25Å; N144-T148 PolarHBondContact O-N 2.88Å; N144-T148 VanDerWaalsContact O-N 3.12Å |
| 145 | E | 98.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.9 | -67.7 | -175.3 | 156.9 | 0 | 0 | 112.1 | S109 L110 I111 E141 T142 I147 T148 L149 | S109-E145 WeakPolarHBondContact CB-OE1 3.29Å; S109-E145 PolarHBondContact OG-OE1 3.46Å; L110-E145 HydrophobicContact CB-CB 4.18Å; L110-E145 VanDerWaalsContact CB-OE2 3.24Å; L110-E145 WeakPolarHBondContact CB-OE2 3.34Å; L110-E145 HydrophobicContact CD1-CB 4.24Å; L110-E145 WeakPolarHBondContact CG-OE2 3.23Å; L110-E145 PolarHBondContact N-OE2 2.75Å; I111-E145 HydrophobicContact CD1-CB 4.18Å; I111-E145 HydrophobicContact CD1-CG 3.91Å; I111-E145 HydrophobicContact CG1-CB 4.06Å; I111-E145 HydrophobicContact CG1-CG 4.05Å; E141-E145 WeakPolarHBondContact O-CG 3.44Å; E141-E145 PolarHBondContact O-N 3.39Å; T142-E145 PolarHBondContact O-N 3.3Å; E145-I147 VanDerWaalsContact C-N 3.3Å; E145-I147 PolarHBondContact O-N 3.2Å; E145-T148 PolarHBondContact O-N 2.59Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 WeakPolarHBondContact O-CD1 3.49Å; E145-L149 VanDerWaalsContact O-CG 3.23Å; E145-L149 WeakPolarHBondContact O-CG 3.48Å; E145-L149 PolarHBondContact O-N 3.14Å |
| 146 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 174.3 | -71.9 | 170 | 0 | 0 | 0 | 111.7 | L110 L135 F138 T142 N143 L149 V150 F158 F185 I188 L192 | L110-L146 HydrophobicContact CD1-CD2 3.95Å; L110-L146 HydrophobicContact CD1-CG 4.05Å; L135-L146 HydrophobicContact CD2-CD1 4.44Å; F138-L146 HydrophobicContact CD2-CD1 4.45Å; F138-L146 HydrophobicContact CE2-CD1 3.82Å; T142-L146 HydrophobicContact CG2-CD1 4.38Å; T142-L146 VanDerWaalsContact O-CG 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.2Å; N143-L146 PolarHBondContact O-N 3.04Å; L146-L149 PolarHBondContact O-N 3.43Å; L146-V150 WeakPolarHBondContact O-CG2 3.4Å; L146-V150 PolarHBondContact O-N 3.07Å; L146-F158 HydrophobicContact CD2-CD1 3.52Å; L146-F158 HydrophobicContact CD2-CD2 4.41Å; L146-F158 HydrophobicContact CD2-CE1 3.35Å; L146-F158 HydrophobicContact CD2-CE2 4.27Å; L146-F158 HydrophobicContact CD2-CG 4.07Å; L146-F158 HydrophobicContact CD2-CZ 3.75Å; L146-F185 HydrophobicContact CD1-CD2 4.14Å; L146-I188 HydrophobicContact CD1-CG2 3.75Å; L146-L192 HydrophobicContact CB-CD1 4.15Å |
| 147 | I | 98.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 176.1 | -65.2 | 166.3 | 0 | 0 | 0 | 110.4 | N143 N144 E145 V150 R151 I188 L192 | N143-I147 WeakPolarHBondContact O-CG1 3.25Å; N143-I147 PolarHBondContact O-N 3.4Å; N144-I147 WeakPolarHBondContact O-CB 3.25Å; N144-I147 PolarHBondContact O-N 3.25Å; E145-I147 VanDerWaalsContact C-N 3.3Å; E145-I147 PolarHBondContact O-N 3.2Å; I147-V150 PolarHBondContact O-N 3.32Å; I147-R151 HydrophobicContact CG2-CG 4.43Å; I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 WeakPolarHBondContact O-CG 3.42Å; I147-R151 PolarHBondContact O-N 3.18Å; I147-I188 HydrophobicContact CD1-CD1 4.46Å; I147-I188 HydrophobicContact CG1-CD1 4.23Å; I147-L192 HydrophobicContact CB-CD2 4.45Å; I147-L192 HydrophobicContact CG1-CD1 4.11Å; I147-L192 HydrophobicContact CG1-CD2 4.08Å |
| 148 | T | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 27% | 0.27 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -44 | 178.3 | -68.5 | 0 | 0 | 0 | 0 | 112 | I111 N144 E145 V150 R151 D152 K153 | I111-T148 HydrophobicContact CD1-CG2 3.78Å; N144-T148 PolarHBondContact O-N 2.88Å; N144-T148 VanDerWaalsContact O-N 3.12Å; E145-T148 PolarHBondContact O-N 2.59Å; T148-V150 VanDerWaalsContact C-N 3.35Å; T148-V150 PolarHBondContact O-N 3.33Å; T148-R151 PolarHBondContact O-N 3Å; T148-D152 HydrophobicContact CG2-CB 4.37Å; T148-D152 WeakPolarHBondContact O-CA 3.5Å; T148-D152 VanDerWaalsContact O-CB 3.3Å; T148-D152 WeakPolarHBondContact O-CB 3.22Å; T148-D152 PolarHBondContact O-N 3.23Å; T148-K153 PolarHBondContact O-N 3.4Å |
| 149 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 179.7 | -75.3 | 161.4 | 0 | 0 | 0 | 112.2 | L110 I111 Y114 L133 E145 L146 K153 G154 V155 F158 | L110-L149 HydrophobicContact CB-CD1 3.66Å; L110-L149 HydrophobicContact CD1-CD1 4.25Å; I111-L149 HydrophobicContact CG1-CD2 4.49Å; I111-L149 HydrophobicContact CG1-CG 4.24Å; Y114-L149 HydrophobicContact CD1-CD2 4.3Å; Y114-L149 HydrophobicContact CD2-CD2 4.09Å; Y114-L149 HydrophobicContact CG-CD2 3.82Å; L133-L149 HydrophobicContact CD1-CD1 3.39Å; L133-L149 HydrophobicContact CD1-CD2 3.82Å; L133-L149 HydrophobicContact CD1-CG 4.21Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 WeakPolarHBondContact O-CD1 3.49Å; E145-L149 VanDerWaalsContact O-CG 3.23Å; E145-L149 WeakPolarHBondContact O-CG 3.48Å; E145-L149 PolarHBondContact O-N 3.14Å; L146-L149 PolarHBondContact O-N 3.43Å; L149-K153 HydrophobicContact CD2-CB 4.49Å; L149-K153 HydrophobicContact CD2-CG 4.39Å; L149-K153 CarbonylContact O-C 3.57Å; L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 PolarHBondContact O-N 3.5Å; L149-G154 PolarHBondContact O-N 3.4Å; L149-V155 HydrophobicContact CB-CB 4.24Å; L149-V155 HydrophobicContact CD2-CG2 4.29Å; L149-V155 PolarHBondContact O-N 3.3Å; L149-F158 HydrophobicContact CB-CE1 4.45Å; L149-F158 HydrophobicContact CB-CZ 4.24Å; L149-F158 HydrophobicContact CD1-CE1 4.26Å |
| 150 | V | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.7 | -50.1 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L146 I147 T148 V155 F158 L192 A194 P491 | L146-V150 WeakPolarHBondContact O-CG2 3.4Å; L146-V150 PolarHBondContact O-N 3.07Å; I147-V150 PolarHBondContact O-N 3.32Å; T148-V150 VanDerWaalsContact C-N 3.35Å; T148-V150 PolarHBondContact O-N 3.33Å; V150-V155 WeakPolarHBondContact CA-O 3.45Å; V150-V155 VanDerWaalsContact CG2-O 3.23Å; V150-V155 WeakPolarHBondContact CG2-O 3.46Å; V150-F158 HydrophobicContact CG2-CE2 3.82Å; V150-F158 HydrophobicContact CG2-CZ 3.98Å; V150-L192 HydrophobicContact CB-CB 4.43Å; V150-L192 HydrophobicContact CB-CD1 4.33Å; V150-L192 HydrophobicContact CG1-CB 4.22Å; V150-L192 HydrophobicContact CG2-CB 4.13Å; V150-L192 HydrophobicContact CG2-CD1 3.91Å; V150-A194 HydrophobicContact CG2-CB 4.12Å; V150-P491 HydrophobicContact CG1-CB 3.81Å; V150-P491 HydrophobicContact CG1-CG 4.01Å |
| 151 | R | 97.8 | Very high | 97.9 | Very high | 183 Ų | 183 | 40 Ų | 40 | 69% | 0.691 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -76.9 | -41 | -170.8 | -68.3 | -177 | 178.1 | 177.9 | 0.1 | 113.4 | I147 T148 | I147-R151 HydrophobicContact CG2-CG 4.43Å; I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 WeakPolarHBondContact O-CG 3.42Å; I147-R151 PolarHBondContact O-N 3.18Å; T148-R151 PolarHBondContact O-N 3Å |
| 152 | D | 98.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 34.7 Ų | 34.7 | 62% | 0.615 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -28.5 | -167.4 | -51.4 | -29.8 | 0 | 0 | 0 | 112 | T148 | T148-D152 HydrophobicContact CG2-CB 4.37Å; T148-D152 WeakPolarHBondContact O-CA 3.5Å; T148-D152 VanDerWaalsContact O-CB 3.3Å; T148-D152 WeakPolarHBondContact O-CB 3.22Å; T148-D152 PolarHBondContact O-N 3.23Å |
| 153 | K | 98.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 27% | 0.27 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -10.3 | -175.7 | -53.7 | -65.4 | -165.3 | 162.6 | 0 | 114.1 | Y114 E115 T148 L149 V155 | Y114-K153 HydrophobicContact CD1-CD 4.47Å; Y114-K153 HydrophobicContact CD1-CG 4.42Å; Y114-K153 HydrophobicContact CE1-CB 4.02Å; Y114-K153 HydrophobicContact CE1-CD 3.69Å; Y114-K153 HydrophobicContact CE1-CG 3.89Å; Y114-K153 HydrophobicContact CE2-CB 4.23Å; E115-K153 IonicContact OE1-NZ 3.71Å; E115-K153 PolarHBondContact OE1-NZ 2.95Å; T148-K153 PolarHBondContact O-N 3.4Å; L149-K153 HydrophobicContact CD2-CB 4.49Å; L149-K153 HydrophobicContact CD2-CG 4.39Å; L149-K153 CarbonylContact O-C 3.57Å; L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 PolarHBondContact O-N 3.5Å; K153-V155 HydrophobicContact CB-CG2 4.32Å |
| 154 | G | 98 | Very high | 96.4 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | trans | 69.5 | 32.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L149 C489 | L149-G154 PolarHBondContact O-N 3.4Å; G154-C489 CarbonylContact C-O 3.49Å; G154-C489 WeakPolarHBondContact CA-O 3.46Å; G154-C489 WeakPolarHBondContact O-CA 3.49Å; G154-C489 VanDerWaalsContact O-CB 3.3Å; G154-C489 WeakPolarHBondContact O-CB 3.31Å; G154-C489 PolarHBondContact O-N 2.61Å | ||
| 155 | V | 98.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | trans | -94.9 | 120.1 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | Y114 V131 L149 V150 K153 F158 | Y114-V155 HydrophobicContact CD2-CG2 3.71Å; Y114-V155 HydrophobicContact CE2-CG2 3.47Å; Y114-V155 VanDerWaalsContact CE2-CG2 3.47Å; V131-V155 HydrophobicContact CB-CG2 4.32Å; L149-V155 HydrophobicContact CB-CB 4.24Å; L149-V155 HydrophobicContact CD2-CG2 4.29Å; L149-V155 PolarHBondContact O-N 3.3Å; V150-V155 WeakPolarHBondContact CA-O 3.45Å; V150-V155 VanDerWaalsContact CG2-O 3.23Å; V150-V155 WeakPolarHBondContact CG2-O 3.46Å; K153-V155 HydrophobicContact CB-CG2 4.32Å; V155-F158 HydrophobicContact CB-CZ 4.23Å; V155-F158 HydrophobicContact CG1-CE1 3.81Å; V155-F158 HydrophobicContact CG1-CE2 4.34Å; V155-F158 HydrophobicContact CG1-CZ 3.68Å | ||
| 156 | V | 98.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -120.7 | -9.8 | -177.2 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | A194 L195 I410 C489 | V156-A194 CarbonylContact O-C 3.51Å; V156-L195 PolarHBondContact O-N 2.91Å; V156-I410 HydrophobicContact CG2-CB 4.16Å; V156-C489 HydrophobicContact CB-CB 4.28Å; V156-C489 HydrophobicContact CG1-CB 3.92Å; V156-C489 VanDerWaalsContact CG1-O 3.27Å; V156-C489 WeakPolarHBondContact CG1-O 3.3Å; V156-C489 HydrophobicContact CG2-CB 3.47Å; V156-C489 VanDerWaalsContact CG2-CB 3.47Å | ||
| 157 | L | 98.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.2 | 179.5 | -168.9 | 65.5 | 0 | 0 | 0 | 109.1 | L66 V99 C132 L195 M197 L256 | L66-L157 HydrophobicContact CB-CD2 4.38Å; V99-L157 HydrophobicContact CG1-CD2 3.94Å; C132-L157 WeakPolarHBondContact CA-O 3.45Å; C132-L157 HydrophobicContact CB-CB 4.3Å; C132-L157 HydrophobicContact CB-CD2 4.09Å; C132-L157 HydrophobicContact CB-CG 4.17Å; L157-L195 HydrophobicContact CD1-CB 4.23Å; L157-L195 HydrophobicContact CD1-CD2 4.15Å; L157-L195 HydrophobicContact CD1-CG 4.12Å; L157-L195 WeakPolarHBondContact CD1-O 2.94Å; L157-M197 HydrophobicContact CD1-CB 4.09Å; L157-L256 HydrophobicContact CD1-CD2 4.33Å |
| 158 | F | 98.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 129.7 | -179.7 | -62.6 | -84.8 | 0 | 0 | 0 | 109.5 | L133 L135 L146 L149 V150 V155 F185 A194 L195 P196 M197 | L133-F158 HydrophobicContact CB-CD1 4.02Å; L133-F158 HydrophobicContact CB-CE1 4.34Å; L133-F158 HydrophobicContact CD1-CE1 4.17Å; L133-F158 CarbonylContact O-C 3.58Å; L133-F158 WeakPolarHBondContact O-CA 3.18Å; L135-F158 HydrophobicContact CD1-CB 4.2Å; L135-F158 HydrophobicContact CD1-CD1 4.22Å; L146-F158 HydrophobicContact CD2-CD1 3.52Å; L146-F158 HydrophobicContact CD2-CD2 4.41Å; L146-F158 HydrophobicContact CD2-CE1 3.35Å; L146-F158 HydrophobicContact CD2-CE2 4.27Å; L146-F158 HydrophobicContact CD2-CG 4.07Å; L146-F158 HydrophobicContact CD2-CZ 3.75Å; L149-F158 HydrophobicContact CB-CE1 4.45Å; L149-F158 HydrophobicContact CB-CZ 4.24Å; L149-F158 HydrophobicContact CD1-CE1 4.26Å; V150-F158 HydrophobicContact CG2-CE2 3.82Å; V150-F158 HydrophobicContact CG2-CZ 3.98Å; V155-F158 HydrophobicContact CB-CZ 4.23Å; V155-F158 HydrophobicContact CG1-CE1 3.81Å; V155-F158 HydrophobicContact CG1-CE2 4.34Å; V155-F158 HydrophobicContact CG1-CZ 3.68Å; F158-F185 HydrophobicContact CB-CE2 3.83Å; F158-F185 HydrophobicContact CB-CZ 3.67Å; F158-F185 HydrophobicContact CG-CE2 4.43Å; F158-A194 HydrophobicContact CD2-CB 4.06Å; F158-A194 HydrophobicContact CE2-CB 3.88Å; F158-L195 PolarHBondContact N-O 3.31Å; F158-P196 CarbonylContact O-C 3.58Å; F158-P196 WeakPolarHBondContact O-CA 3.42Å; F158-M197 PolarHBondContact O-N 3.12Å |
| 159 | S | 97.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145.3 | -177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | C132 L133 R134 L135 M197 E199 | C132-S159 PolarHBondContact SG-N 3.26Å; L133-S159 PolarHBondContact O-N 3.27Å; R134-S159 VanDerWaalsContact CA-O 3.24Å; R134-S159 WeakPolarHBondContact CA-O 3.31Å; L135-S159 PolarHBondContact N-O 3.29Å; L135-S159 VanDerWaalsContact N-O 3.09Å; S159-M197 CarbonylContact C-O 3.5Å; S159-M197 VanDerWaalsContact CA-O 3.32Å; S159-M197 WeakPolarHBondContact CA-O 3.33Å; S159-E199 PolarHBondContact OG-OE1 2.87Å |
| 160 | V | 95.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.3 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | L135 I177 F182 F185 M197 L198 | L135-V160 HydrophobicContact CB-CG1 4.29Å; V160-I177 HydrophobicContact CB-CD1 3.7Å; V160-I177 HydrophobicContact CB-CG1 4.22Å; V160-I177 HydrophobicContact CG1-CD1 3.56Å; V160-I177 HydrophobicContact CG1-CG1 4.46Å; V160-I177 HydrophobicContact CG2-CD1 4.2Å; V160-F182 HydrophobicContact CG2-CD2 4.11Å; V160-F182 HydrophobicContact CG2-CE2 3.83Å; V160-F185 HydrophobicContact CB-CE1 4.4Å; V160-F185 HydrophobicContact CG1-CD1 3.84Å; V160-F185 HydrophobicContact CG1-CE1 3.42Å; V160-F185 VanDerWaalsContact CG1-CE1 3.42Å; V160-F185 HydrophobicContact CG1-CE2 4.38Å; V160-F185 HydrophobicContact CG1-CG 4.45Å; V160-F185 HydrophobicContact CG1-CZ 3.73Å; V160-F185 HydrophobicContact CG2-CE1 4.03Å; V160-M197 PolarHBondContact N-O 3.16Å; V160-L198 HydrophobicContact CG2-CD1 4.07Å |
| 161 | R | 93.1 | Very high | 83.1 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | trans | -116.4 | 127.4 | 159.8 | -72 | -174.2 | 173.6 | -152.3 | -8.9 | 108.5 | I176 I177 E199 D321 | R161-I176 WeakPolarHBondContact O-CA 3.4Å; R161-I177 PolarHBondContact O-N 2.66Å; R161-E199 IonicContact CZ-OE2 2.88Å; R161-E199 IonicContact NE-OE2 2.76Å; R161-E199 PolarHBondContact NE-OE2 3.05Å; R161-E199 IonicContact NH2-OE2 3.48Å; R161-E199 PolarHBondContact NH2-OE2 2.72Å; R161-D321 IonicContact CZ-OD2 2.76Å; R161-D321 IonicContact NH1-OD2 2.67Å; R161-D321 PolarHBondContact NH1-OD2 3.4Å; R161-D321 IonicContact NH2-OD2 2.81Å; R161-D321 PolarHBondContact NH2-OD2 3.07Å | ||
| 162 | V | 90.4 | Very high | 81.3 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -90.5 | 133.2 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | I177 E179 F182 L198 | V162-I177 WeakPolarHBondContact CA-O 3.04Å; V162-I177 HydrophobicContact CG2-CG1 4.36Å; V162-E179 HydrophobicContact CG1-CG 4.44Å; V162-F182 HydrophobicContact CG2-CB 4.17Å; V162-F182 HydrophobicContact CG2-CD1 3.71Å; V162-F182 HydrophobicContact CG2-CD2 4.01Å; V162-F182 HydrophobicContact CG2-CE1 4Å; V162-F182 HydrophobicContact CG2-CE2 4.3Å; V162-F182 HydrophobicContact CG2-CG 3.71Å; V162-F182 HydrophobicContact CG2-CZ 4.29Å; V162-L198 HydrophobicContact CG2-CD1 3.93Å |
| 163 | G | 87.3 | Confident | 79.9 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | trans | -173.3 | 171.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I177 N178 | G163-I177 PolarHBondContact N-O 2.92Å; G163-N178 WeakPolarHBondContact O-CA 3.39Å | ||
| 164 | S | 82.5 | Confident | 79.1 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 131.8 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | S205 | S164-S205 PolarHBondContact N-OG 2.81Š|
| 165 | K | 75.4 | Confident | 78.6 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 127.8 | 168.8 | -65.3 | -178.2 | 173.5 | 180 | 0 | 109.5 | A136 D171 I176 E181 | A136-K165 PolarHBondContact O-NZ 2.93Å; K165-D171 VanDerWaalsContact CA-OD2 3.26Å; K165-D171 WeakPolarHBondContact CA-OD2 3.21Å; K165-I176 WeakPolarHBondContact CE-O 3.36Å; K165-E181 WeakPolarHBondContact CE-OE2 3.15Å; K165-E181 IonicContact NZ-OE1 2.75Å; K165-E181 PolarHBondContact NZ-OE1 2.93Å; K165-E181 IonicContact NZ-OE2 2.77Å; K165-E181 PolarHBondContact NZ-OE2 3.17Å |
| 166 | S | 65.8 | Low | 78.3 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 156.7 | 169.2 | 91.4 | 0 | 0 | 0 | 0 | 110 | S168 D171 | S166-S168 PolarHBondContact O-N 3.48Å; S166-S168 WeakPolarHBondContact OG-CB 3.33Å; S166-S168 PolarHBondContact OG-N 2.99Å; S166-S168 PolarHBondContact OG-OG 3.36Å; S166-D171 PolarHBondContact N-OD2 3.39Å; S166-D171 PolarHBondContact OG-OD1 3.07Å |
| 167 | S | 57.1 | Low | 78 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 92% | 0.923 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -75.5 | 18 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 168 | S | 54.8 | Low | 77.7 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -85.3 | 151.8 | -173.9 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | S166 V170 D171 | S166-S168 PolarHBondContact O-N 3.48Å; S166-S168 WeakPolarHBondContact OG-CB 3.33Å; S166-S168 PolarHBondContact OG-N 2.99Å; S166-S168 PolarHBondContact OG-OG 3.36Å; S168-V170 PolarHBondContact O-N 3.43Å; S168-D171 WeakPolarHBondContact O-CB 3.24Å; S168-D171 PolarHBondContact O-N 3.34Å |
| 169 | M | 50.5 | Low | 77.3 | Confident | 154 Ų | 154 | 55.2 Ų | 55.2 | 76% | 0.759 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -54.4 | -23.6 | 175.2 | -70.8 | -74.6 | 105.8 | 0 | 0 | 113.9 | D171 N172 | M169-D171 VanDerWaalsContact C-N 3.28Å; M169-D171 PolarHBondContact O-N 3.13Å; M169-N172 PolarHBondContact O-N 3.38Å |
| 170 | V | 54 | Low | 77.1 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -68.3 | -26.1 | 180 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | S168 N172 E173 Q208 | S168-V170 PolarHBondContact O-N 3.43Å; V170-N172 VanDerWaalsContact C-N 3.29Å; V170-N172 PolarHBondContact O-N 3.23Å; V170-E173 PolarHBondContact O-N 2.82Å; V170-Q208 VanDerWaalsContact CG1-NE2 3.32Å |
| 171 | D | 55.2 | Low | 77 | Confident | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -68.5 | -28.2 | -179.6 | -77.3 | 55 | 0 | 0 | 0 | 112.4 | P106 K165 S166 S168 M169 E173 Q174 | P106-D171 WeakPolarHBondContact CG-O 3.27Å; K165-D171 VanDerWaalsContact CA-OD2 3.26Å; K165-D171 WeakPolarHBondContact CA-OD2 3.21Å; S166-D171 PolarHBondContact N-OD2 3.39Å; S166-D171 PolarHBondContact OG-OD1 3.07Å; S168-D171 WeakPolarHBondContact O-CB 3.24Å; S168-D171 PolarHBondContact O-N 3.34Å; M169-D171 VanDerWaalsContact C-N 3.28Å; M169-D171 PolarHBondContact O-N 3.13Å; D171-E173 PolarHBondContact O-N 3.1Å; D171-E173 VanDerWaalsContact O-N 3.12Å; D171-Q174 PolarHBondContact O-N 3.4Å |
| 172 | N | 58.3 | Low | 77.1 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -67.2 | -11.7 | -179.1 | -74.5 | -9.6 | 0 | 0 | 0 | 113.8 | P106 M169 V170 | P106-N172 WeakPolarHBondContact CD-O 3.36Å; M169-N172 PolarHBondContact O-N 3.38Å; V170-N172 VanDerWaalsContact C-N 3.29Å; V170-N172 PolarHBondContact O-N 3.23Å |
| 173 | E | 69.6 | Low | 77.3 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -108.9 | 2.3 | -177.8 | -59.6 | -176 | 160.7 | 0 | 0 | 112.6 | N76 Y105 V170 D171 | N76-E173 PolarHBondContact ND2-OE1 3.11Å; Y105-E173 WeakPolarHBondContact CE1-O 3.17Å; V170-E173 PolarHBondContact O-N 2.82Å; D171-E173 PolarHBondContact O-N 3.1Å; D171-E173 VanDerWaalsContact O-N 3.12Å |
| 174 | Q | 80.7 | Confident | 77.6 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | trans | -121.3 | 128.6 | -169.4 | -62.9 | -178.2 | -13.7 | 0 | 0 | 112.4 | D171 I176 | D171-Q174 PolarHBondContact O-N 3.4Å; Q174-I176 HydrophobicContact CB-CD1 3.61Å; Q174-I176 HydrophobicContact CB-CG1 4.01Å; Q174-I176 HydrophobicContact CG-CD1 4.44Å; Q174-I176 PolarHBondContact O-N 3.16Å | ||
| 175 | C | 88.5 | Confident | 78.3 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | trans | -82.2 | 79.8 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | R134 L135 A136 | R134-C175 HydrophobicContact CG-CB 3.76Å; L135-C175 CarbonylContact O-C 3.59Å; L135-C175 VanDerWaalsContact O-C 3.31Å; A136-C175 HydrophobicContact CB-CB 4.24Å | ||
| 176 | I | 91.6 | Very high | 79.3 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | trans | -123.6 | 141.7 | -177.8 | -59.9 | 161.8 | 0 | 0 | 0 | 110 | A136 R161 K165 Q174 V204 | A136-I176 CarbonylContact C-O 3.57Å; R161-I176 WeakPolarHBondContact O-CA 3.4Å; K165-I176 WeakPolarHBondContact CE-O 3.36Å; Q174-I176 HydrophobicContact CB-CD1 3.61Å; Q174-I176 HydrophobicContact CB-CG1 4.01Å; Q174-I176 HydrophobicContact CG-CD1 4.44Å; Q174-I176 PolarHBondContact O-N 3.16Å; I176-V204 HydrophobicContact CD1-CB 3.5Å; I176-V204 HydrophobicContact CD1-CG1 3.79Å; I176-V204 HydrophobicContact CD1-CG2 3.65Å; I176-V204 HydrophobicContact CG1-CB 4.3Å; I176-V204 HydrophobicContact CG1-CG2 3.94Å | ||
| 177 | I | 92.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 147.1 | 169.5 | 66.9 | 177.7 | 0 | 0 | 0 | 110.8 | L135 V160 R161 V162 G163 E181 F182 F185 | L135-I177 HydrophobicContact CB-CG2 4.28Å; V160-I177 HydrophobicContact CB-CD1 3.7Å; V160-I177 HydrophobicContact CB-CG1 4.22Å; V160-I177 HydrophobicContact CG1-CD1 3.56Å; V160-I177 HydrophobicContact CG1-CG1 4.46Å; V160-I177 HydrophobicContact CG2-CD1 4.2Å; R161-I177 PolarHBondContact O-N 2.66Å; V162-I177 WeakPolarHBondContact CA-O 3.04Å; V162-I177 HydrophobicContact CG2-CG1 4.36Å; G163-I177 PolarHBondContact N-O 2.92Å; I177-E181 VanDerWaalsContact CA-OE2 3.31Å; I177-E181 WeakPolarHBondContact CA-OE2 3.46Å; I177-E181 HydrophobicContact CB-CB 3.99Å; I177-F182 HydrophobicContact CD1-CB 3.72Å; I177-F182 HydrophobicContact CD1-CD2 3.76Å; I177-F182 HydrophobicContact CD1-CG 4.16Å; I177-F182 HydrophobicContact CG1-CB 4.14Å; I177-F185 HydrophobicContact CD1-CD1 4.43Å |
| 178 | N | 92 | Very high | 82.5 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -81.8 | 177 | 173.1 | 72.4 | 40.5 | 0 | 0 | 0 | 111.5 | G163 E180 E181 F182 | G163-N178 WeakPolarHBondContact O-CA 3.39Å; N178-E180 PolarHBondContact O-N 3.24Å; N178-E180 PolarHBondContact OD1-N 2.93Å; N178-E181 PolarHBondContact N-OE2 3.19Å; N178-E181 PolarHBondContact ND2-OE2 3.24Å; N178-E181 PolarHBondContact O-N 3.26Å; N178-E181 WeakPolarHBondContact OD1-CB 3.29Å; N178-E181 WeakPolarHBondContact OD1-CG 3.27Å; N178-E181 PolarHBondContact OD1-N 3.31Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.27Å; N178-F182 PolarHBondContact O-N 2.77Å | ||
| 179 | E | 91.2 | Very high | 84.5 | Confident | 103 Ų | 103 | 48.1 Ų | 48.1 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -37.7 | -176.7 | -69.5 | -173.3 | 167 | 0 | 0 | 114.1 | V162 F182 C183 Q241 F245 | V162-E179 HydrophobicContact CG1-CG 4.44Å; E179-F182 PolarHBondContact O-N 2.64Å; E179-C183 WeakPolarHBondContact O-CB 3.4Å; E179-C183 PolarHBondContact O-N 3.32Å; E179-Q241 PolarHBondContact OE1-NE2 3.48Å; E179-Q241 VanDerWaalsContact OE1-NE2 3.13Å; E179-F245 HydrophobicContact CB-CE1 4.21Å; E179-F245 HydrophobicContact CB-CE2 4.44Å; E179-F245 HydrophobicContact CB-CZ 3.67Å; E179-F245 HydrophobicContact CG-CE2 4.15Å; E179-F245 HydrophobicContact CG-CZ 3.78Å |
| 180 | E | 92.3 | Very high | 86.7 | Confident | 155 Ų | 155 | 42.6 Ų | 42.6 | 72% | 0.724 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -69.5 | -43 | 178.5 | -176.6 | -179.5 | 178 | 0 | 0 | 111.4 | N178 F182 C183 S184 | N178-E180 PolarHBondContact O-N 3.24Å; N178-E180 PolarHBondContact OD1-N 2.93Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-C183 WeakPolarHBondContact O-CB 3.45Å; E180-C183 PolarHBondContact O-N 2.98Å; E180-S184 PolarHBondContact O-N 3.37Å; E180-S184 VanDerWaalsContact O-N 3.12Å; E180-S184 PolarHBondContact O-OG 3.48Å; E180-S184 VanDerWaalsContact O-OG 3.09Å |
| 181 | E | 94.4 | Very high | 88.6 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.4 | -70.1 | 175.6 | 143.3 | 0 | 0 | 110.9 | F138 K165 I177 N178 S184 F185 | F138-E181 HydrophobicContact CB-CB 3.61Å; F138-E181 HydrophobicContact CB-CG 3.9Å; F138-E181 PolarHBondContact N-OE1 2.86Å; K165-E181 WeakPolarHBondContact CE-OE2 3.15Å; K165-E181 IonicContact NZ-OE1 2.75Å; K165-E181 PolarHBondContact NZ-OE1 2.93Å; K165-E181 IonicContact NZ-OE2 2.77Å; K165-E181 PolarHBondContact NZ-OE2 3.17Å; I177-E181 VanDerWaalsContact CA-OE2 3.31Å; I177-E181 WeakPolarHBondContact CA-OE2 3.46Å; I177-E181 HydrophobicContact CB-CB 3.99Å; N178-E181 PolarHBondContact N-OE2 3.19Å; N178-E181 PolarHBondContact ND2-OE2 3.24Å; N178-E181 PolarHBondContact O-N 3.26Å; N178-E181 WeakPolarHBondContact OD1-CB 3.29Å; N178-E181 WeakPolarHBondContact OD1-CG 3.27Å; N178-E181 PolarHBondContact OD1-N 3.31Å; E181-S184 PolarHBondContact O-N 2.97Å; E181-F185 VanDerWaalsContact O-CB 3.3Å; E181-F185 WeakPolarHBondContact O-CB 3.05Å; E181-F185 PolarHBondContact O-N 2.89Å |
| 182 | F | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.4 | -176.9 | -135.6 | 0 | 0 | 0 | 112.5 | V160 V162 I177 N178 E179 E180 S184 F185 L186 L198 F245 | V160-F182 HydrophobicContact CG2-CD2 4.11Å; V160-F182 HydrophobicContact CG2-CE2 3.83Å; V162-F182 HydrophobicContact CG2-CB 4.17Å; V162-F182 HydrophobicContact CG2-CD1 3.71Å; V162-F182 HydrophobicContact CG2-CD2 4.01Å; V162-F182 HydrophobicContact CG2-CE1 4Å; V162-F182 HydrophobicContact CG2-CE2 4.3Å; V162-F182 HydrophobicContact CG2-CG 3.71Å; V162-F182 HydrophobicContact CG2-CZ 4.29Å; I177-F182 HydrophobicContact CD1-CB 3.72Å; I177-F182 HydrophobicContact CD1-CD2 3.76Å; I177-F182 HydrophobicContact CD1-CG 4.16Å; I177-F182 HydrophobicContact CG1-CB 4.14Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.27Å; N178-F182 PolarHBondContact O-N 2.77Å; E179-F182 PolarHBondContact O-N 2.64Å; E180-F182 VanDerWaalsContact C-N 3.34Å; F182-S184 PolarHBondContact O-N 2.99Å; F182-F185 HydrophobicContact CD2-CD1 4.01Å; F182-F185 HydrophobicContact CE2-CD1 4.29Å; F182-F185 PolarHBondContact O-N 3.2Å; F182-L186 HydrophobicContact CD2-CD1 4.44Å; F182-L186 HydrophobicContact CD2-CD2 4.36Å; F182-L186 HydrophobicContact CD2-CG 4.05Å; F182-L186 HydrophobicContact CE1-CD1 4.05Å; F182-L186 HydrophobicContact CE2-CD1 3.97Å; F182-L186 HydrophobicContact CE2-CD2 3.67Å; F182-L186 HydrophobicContact CE2-CG 3.74Å; F182-L186 HydrophobicContact CZ-CD1 3.76Å; F182-L186 HydrophobicContact CZ-CD2 4.09Å; F182-L186 HydrophobicContact CZ-CG 4.07Å; F182-L186 WeakPolarHBondContact O-CG 3.23Å; F182-L186 PolarHBondContact O-N 2.88Å; F182-L198 HydrophobicContact CZ-CD2 4.4Å; F182-F245 HydrophobicContact CD1-CB 3.81Å; F182-F245 HydrophobicContact CD1-CD1 4.29Å; F182-F245 AromaticContact CD1-CD2 3.64Å; F182-F245 HydrophobicContact CD1-CD2 3.64Å; F182-F245 HydrophobicContact CD1-CE2 4.34Å; F182-F245 AromaticContact CD1-CG 3.66Å; F182-F245 HydrophobicContact CD1-CG 3.66Å; F182-F245 HydrophobicContact CE1-CB 3.55Å; F182-F245 AromaticContact CE1-CD2 3.75Å; F182-F245 HydrophobicContact CE1-CD2 3.75Å; F182-F245 AromaticContact CE1-CG 3.83Å; F182-F245 HydrophobicContact CE1-CG 3.83Å; F182-F245 HydrophobicContact CZ-CB 4.45Å |
| 183 | C | 94.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.5 | -50.9 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | E179 E180 F185 L186 N187 F245 A249 | E179-C183 WeakPolarHBondContact O-CB 3.4Å; E179-C183 PolarHBondContact O-N 3.32Å; E180-C183 WeakPolarHBondContact O-CB 3.45Å; E180-C183 PolarHBondContact O-N 2.98Å; C183-F185 PolarHBondContact O-N 2.97Å; C183-L186 PolarHBondContact O-N 3.11Å; C183-N187 PolarHBondContact O-N 3.02Å; C183-N187 VanDerWaalsContact O-N 3.12Å; C183-F245 HydrophobicContact CB-CD1 4.3Å; C183-A249 HydrophobicContact CB-CB 3.69Å; C183-A249 WeakPolarHBondContact SG-CB 3.3Å; C183-A249 PolarHBondContact SG-O 2.89Å; C183-A249 VanDerWaalsContact SG-O 3.38Å |
| 184 | S | 95 | Very high | 93.8 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.6 | -40.4 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | F138 E180 E181 F182 N187 I188 | F138-S184 VanDerWaalsContact CD1-CB 3.46Å; E180-S184 PolarHBondContact O-N 3.37Å; E180-S184 VanDerWaalsContact O-N 3.12Å; E180-S184 PolarHBondContact O-OG 3.48Å; E180-S184 VanDerWaalsContact O-OG 3.09Å; E181-S184 PolarHBondContact O-N 2.97Å; F182-S184 PolarHBondContact O-N 2.99Å; S184-N187 PolarHBondContact O-N 2.87Å; S184-I188 PolarHBondContact O-N 3.02Å; S184-I188 VanDerWaalsContact O-N 3.13Å |
| 185 | F | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 174.2 | 168 | -111 | 0 | 0 | 0 | 112.7 | L135 F138 L146 F158 V160 I177 E181 F182 C183 N187 I188 C189 P196 | L135-F185 HydrophobicContact CD1-CE2 4.18Å; L135-F185 HydrophobicContact CD2-CD2 3.61Å; L135-F185 HydrophobicContact CD2-CE2 3.78Å; L135-F185 HydrophobicContact CD2-CG 4.42Å; F138-F185 HydrophobicContact CD2-CB 3.76Å; F138-F185 HydrophobicContact CE2-CB 4.05Å; L146-F185 HydrophobicContact CD1-CD2 4.14Å; F158-F185 HydrophobicContact CB-CE2 3.83Å; F158-F185 HydrophobicContact CB-CZ 3.67Å; F158-F185 HydrophobicContact CG-CE2 4.43Å; V160-F185 HydrophobicContact CB-CE1 4.4Å; V160-F185 HydrophobicContact CG1-CD1 3.84Å; V160-F185 HydrophobicContact CG1-CE1 3.42Å; V160-F185 VanDerWaalsContact CG1-CE1 3.42Å; V160-F185 HydrophobicContact CG1-CE2 4.38Å; V160-F185 HydrophobicContact CG1-CG 4.45Å; V160-F185 HydrophobicContact CG1-CZ 3.73Å; V160-F185 HydrophobicContact CG2-CE1 4.03Å; I177-F185 HydrophobicContact CD1-CD1 4.43Å; E181-F185 VanDerWaalsContact O-CB 3.3Å; E181-F185 WeakPolarHBondContact O-CB 3.05Å; E181-F185 PolarHBondContact O-N 2.89Å; F182-F185 HydrophobicContact CD2-CD1 4.01Å; F182-F185 HydrophobicContact CE2-CD1 4.29Å; F182-F185 PolarHBondContact O-N 3.2Å; C183-F185 PolarHBondContact O-N 2.97Å; F185-N187 VanDerWaalsContact C-N 3.29Å; F185-N187 PolarHBondContact O-N 2.67Å; F185-I188 VanDerWaalsContact O-CG2 3.22Å; F185-I188 WeakPolarHBondContact O-CG2 3.41Å; F185-I188 PolarHBondContact O-N 3.45Å; F185-C189 WeakPolarHBondContact CE2-SG 3.35Å; F185-C189 PolarHBondContact O-N 3.47Å; F185-C189 PolarHBondContact O-SG 2.9Å; F185-P196 HydrophobicContact CD1-CB 4.38Å; F185-P196 HydrophobicContact CE1-CB 3.41Å; F185-P196 VanDerWaalsContact CE1-CB 3.41Å; F185-P196 HydrophobicContact CZ-CB 3.72Å |
| 186 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.9 | -69.2 | -175.6 | 0 | 0 | 0 | 111.9 | F182 C183 C189 R190 P196 F245 C253 V255 | F182-L186 HydrophobicContact CD2-CD1 4.44Å; F182-L186 HydrophobicContact CD2-CD2 4.36Å; F182-L186 HydrophobicContact CD2-CG 4.05Å; F182-L186 HydrophobicContact CE1-CD1 4.05Å; F182-L186 HydrophobicContact CE2-CD1 3.97Å; F182-L186 HydrophobicContact CE2-CD2 3.67Å; F182-L186 HydrophobicContact CE2-CG 3.74Å; F182-L186 HydrophobicContact CZ-CD1 3.76Å; F182-L186 HydrophobicContact CZ-CD2 4.09Å; F182-L186 HydrophobicContact CZ-CG 4.07Å; F182-L186 WeakPolarHBondContact O-CG 3.23Å; F182-L186 PolarHBondContact O-N 2.88Å; C183-L186 PolarHBondContact O-N 3.11Å; L186-C189 PolarHBondContact O-N 3.01Å; L186-R190 WeakPolarHBondContact O-CB 3.43Å; L186-R190 PolarHBondContact O-N 2.66Å; L186-P196 HydrophobicContact CD2-CB 3.75Å; L186-P196 HydrophobicContact CD2-CG 3.51Å; L186-F245 HydrophobicContact CD1-CB 3.65Å; L186-C253 HydrophobicContact CB-CB 4.1Å; L186-C253 PolarHBondContact O-SG 2.95Å; L186-V255 HydrophobicContact CD2-CG2 3.97Å |
| 187 | N | 94.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61 | -48.4 | 178 | -179.6 | 42 | 0 | 0 | 0 | 111.9 | C183 S184 F185 R190 Q191 | C183-N187 PolarHBondContact O-N 3.02Å; C183-N187 VanDerWaalsContact O-N 3.12Å; S184-N187 PolarHBondContact O-N 2.87Å; F185-N187 VanDerWaalsContact C-N 3.29Å; F185-N187 PolarHBondContact O-N 2.67Å; N187-R190 PolarHBondContact O-N 2.76Å; N187-Q191 PolarHBondContact ND2-NE2 3.1Å; N187-Q191 WeakPolarHBondContact O-CG 3.36Å; N187-Q191 PolarHBondContact O-N 3.48Å; N187-Q191 PolarHBondContact OD1-NE2 3.29Å |
| 188 | I | 96.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.1 | -38.7 | 178.9 | -172.1 | 62.2 | 0 | 0 | 0 | 112.2 | F138 N143 L146 I147 S184 F185 R190 Q191 L192 | F138-I188 HydrophobicContact CE2-CG2 3.65Å; F138-I188 HydrophobicContact CZ-CG2 3.8Å; N143-I188 WeakPolarHBondContact OD1-CD1 3.41Å; N143-I188 VanDerWaalsContact OD1-CG1 3.26Å; N143-I188 WeakPolarHBondContact OD1-CG1 3.48Å; L146-I188 HydrophobicContact CD1-CG2 3.75Å; I147-I188 HydrophobicContact CD1-CD1 4.46Å; I147-I188 HydrophobicContact CG1-CD1 4.23Å; S184-I188 PolarHBondContact O-N 3.02Å; S184-I188 VanDerWaalsContact O-N 3.13Å; F185-I188 VanDerWaalsContact O-CG2 3.22Å; F185-I188 WeakPolarHBondContact O-CG2 3.41Å; F185-I188 PolarHBondContact O-N 3.45Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 2.82Å; I188-Q191 HydrophobicContact CD1-CB 4.46Å; I188-Q191 PolarHBondContact O-N 3.09Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; I188-L192 HydrophobicContact CD1-CD1 4.12Å; I188-L192 HydrophobicContact CD1-CG 4.04Å; I188-L192 HydrophobicContact CG1-CD1 3.74Å; I188-L192 HydrophobicContact CG1-CG 4.11Å; I188-L192 WeakPolarHBondContact O-CB 3.5Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 2.92Å |
| 189 | C | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 175.9 | -78.1 | 0 | 0 | 0 | 0 | 111.8 | F185 L186 L192 G193 A194 P196 Y497 | F185-C189 WeakPolarHBondContact CE2-SG 3.35Å; F185-C189 PolarHBondContact O-N 3.47Å; F185-C189 PolarHBondContact O-SG 2.9Å; L186-C189 PolarHBondContact O-N 3.01Å; C189-L192 PolarHBondContact O-N 2.92Å; C189-G193 PolarHBondContact O-N 2.85Å; C189-A194 HydrophobicContact CB-CB 4.26Å; C189-A194 PolarHBondContact O-N 3.04Å; C189-P196 HydrophobicContact CB-CG 4.29Å; C189-Y497 PolarHBondContact O-OH 3.44Å; C189-Y497 VanDerWaalsContact O-OH 3.12Å |
| 190 | R | 95.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 25.2 Ų | 25.2 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 174.9 | 177.1 | -176.1 | 163.2 | 73.3 | 8 | 111.8 | L186 N187 I188 L192 G193 G250 F251 R252 C253 Y497 E504 | L186-R190 WeakPolarHBondContact O-CB 3.43Å; L186-R190 PolarHBondContact O-N 2.66Å; N187-R190 PolarHBondContact O-N 2.76Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 2.82Å; R190-L192 PolarHBondContact O-N 2.96Å; R190-G193 PolarHBondContact O-N 2.99Å; R190-G250 WeakPolarHBondContact CD-O 3.39Å; R190-G250 PolarHBondContact NE-O 3.07Å; R190-F251 PolarHBondContact NE-O 3.48Å; R190-F251 VanDerWaalsContact NE-O 3.11Å; R190-F251 PolarHBondContact NH1-O 3.05Å; R190-F251 VanDerWaalsContact NH1-O 3.1Å; R190-R252 PolarHBondContact NH1-O 2.92Å; R190-C253 HydrophobicContact CB-CB 4.16Å; R190-Y497 WeakPolarHBondContact CA-OH 3.46Å; R190-E504 IonicContact CZ-OE2 2.81Å; R190-E504 IonicContact NH1-OE2 3.32Å; R190-E504 IonicContact NH2-OE1 2.75Å; R190-E504 PolarHBondContact NH2-OE1 3.23Å; R190-E504 VanDerWaalsContact NH2-OE1 3.16Å; R190-E504 IonicContact NH2-OE2 2.81Å; R190-E504 PolarHBondContact NH2-OE2 2.9Å |
| 191 | Q | 95.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 18 Ų | 18 | 55% | 0.551 | 10% | 0.096 | S | C | * | . | H | α-helix | trans | -63.2 | -32.4 | 179.5 | -68.8 | 175 | 22.9 | 0 | 0 | 112.7 | N187 I188 F492 | N187-Q191 PolarHBondContact ND2-NE2 3.1Å; N187-Q191 WeakPolarHBondContact O-CG 3.36Å; N187-Q191 PolarHBondContact O-N 3.48Å; N187-Q191 PolarHBondContact OD1-NE2 3.29Å; I188-Q191 HydrophobicContact CD1-CB 4.46Å; I188-Q191 PolarHBondContact O-N 3.09Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; Q191-F492 WeakPolarHBondContact O-CZ 3.41Å |
| 192 | L | 97.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -85.2 | -9.7 | -180 | -72.3 | 178.6 | 0 | 0 | 0 | 113.8 | L146 I147 V150 I188 C189 R190 A194 P491 | L146-L192 HydrophobicContact CB-CD1 4.15Å; I147-L192 HydrophobicContact CB-CD2 4.45Å; I147-L192 HydrophobicContact CG1-CD1 4.11Å; I147-L192 HydrophobicContact CG1-CD2 4.08Å; V150-L192 HydrophobicContact CB-CB 4.43Å; V150-L192 HydrophobicContact CB-CD1 4.33Å; V150-L192 HydrophobicContact CG1-CB 4.22Å; V150-L192 HydrophobicContact CG2-CB 4.13Å; V150-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CD1-CD1 4.12Å; I188-L192 HydrophobicContact CD1-CG 4.04Å; I188-L192 HydrophobicContact CG1-CD1 3.74Å; I188-L192 HydrophobicContact CG1-CG 4.11Å; I188-L192 WeakPolarHBondContact O-CB 3.5Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 2.92Å; C189-L192 PolarHBondContact O-N 2.92Å; R190-L192 PolarHBondContact O-N 2.96Å; L192-A194 VanDerWaalsContact C-N 3.25Å; L192-A194 HydrophobicContact CB-CB 4.48Å; L192-A194 PolarHBondContact O-N 2.92Å; L192-P491 WeakPolarHBondContact O-CB 3.39Å |
| 193 | G | 97.1 | Very high | 96 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 19.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C189 R190 F492 Y497 | C189-G193 PolarHBondContact O-N 2.85Å; R190-G193 PolarHBondContact O-N 2.99Å; G193-F492 VanDerWaalsContact CA-CD1 3.48Å; G193-F492 VanDerWaalsContact CA-CE1 3.48Å; G193-F492 PolarHBondContact O-N 3.02Å; G193-Y497 VanDerWaalsContact C-CE2 3.41Å; G193-Y497 VanDerWaalsContact C-OH 3.31Å; G193-Y497 WeakPolarHBondContact CA-OH 3.38Å; G193-Y497 VanDerWaalsContact O-CE2 3.31Å; G193-Y497 WeakPolarHBondContact O-CE2 3.2Å |
| 194 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -87.3 | 163.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V150 V156 F158 C189 L192 Y497 | V150-A194 HydrophobicContact CG2-CB 4.12Å; V156-A194 CarbonylContact O-C 3.51Å; F158-A194 HydrophobicContact CD2-CB 4.06Å; F158-A194 HydrophobicContact CE2-CB 3.88Å; C189-A194 HydrophobicContact CB-CB 4.26Å; C189-A194 PolarHBondContact O-N 3.04Å; L192-A194 VanDerWaalsContact C-N 3.25Å; L192-A194 HydrophobicContact CB-CB 4.48Å; L192-A194 PolarHBondContact O-N 2.92Å; A194-Y497 PolarHBondContact N-OH 3.02Å; A194-Y497 PolarHBondContact O-OH 3.44Å | ||
| 195 | L | 98 | Very high | 95.3 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108 | 177.6 | -177.6 | 59.1 | 0 | 0 | 0 | 109.7 | V156 L157 F158 P254 L256 L409 V496 | V156-L195 PolarHBondContact O-N 2.91Å; L157-L195 HydrophobicContact CD1-CB 4.23Å; L157-L195 HydrophobicContact CD1-CD2 4.15Å; L157-L195 HydrophobicContact CD1-CG 4.12Å; L157-L195 WeakPolarHBondContact CD1-O 2.94Å; F158-L195 PolarHBondContact N-O 3.31Å; L195-P254 HydrophobicContact CD1-CB 4.25Å; L195-P254 HydrophobicContact CD1-CG 4.48Å; L195-L256 HydrophobicContact CD1-CB 4.36Å; L195-L256 HydrophobicContact CD2-CB 4.14Å; L195-L256 HydrophobicContact CD2-CD2 4.49Å; L195-L256 HydrophobicContact CG-CB 4.2Å; L195-L409 HydrophobicContact CD2-CB 4.11Å; L195-L409 HydrophobicContact CD2-CD2 3.98Å; L195-V496 HydrophobicContact CD1-CG1 4.32Å |
| 196 | P | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 140.4 | 168.6 | 29.9 | -34.2 | 0 | 0 | 0 | 110.4 | F158 F185 L186 C189 P254 V255 L256 | F158-P196 CarbonylContact O-C 3.58Å; F158-P196 WeakPolarHBondContact O-CA 3.42Å; F185-P196 HydrophobicContact CD1-CB 4.38Å; F185-P196 HydrophobicContact CE1-CB 3.41Å; F185-P196 VanDerWaalsContact CE1-CB 3.41Å; F185-P196 HydrophobicContact CZ-CB 3.72Å; L186-P196 HydrophobicContact CD2-CB 3.75Å; L186-P196 HydrophobicContact CD2-CG 3.51Å; C189-P196 HydrophobicContact CB-CG 4.29Å; P196-P254 WeakPolarHBondContact CD-O 3.45Å; P196-P254 WeakPolarHBondContact CG-O 3.5Å; P196-V255 HydrophobicContact CG-CG2 4.1Å; P196-V255 WeakPolarHBondContact O-CA 3.31Å; P196-L256 PolarHBondContact O-N 3Å |
| 197 | M | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.5 | 176.6 | -177.1 | 170.6 | 67.2 | 0 | 0 | 109.9 | L157 F158 S159 V160 L256 | L157-M197 HydrophobicContact CD1-CB 4.09Å; F158-M197 PolarHBondContact O-N 3.12Å; S159-M197 CarbonylContact C-O 3.5Å; S159-M197 VanDerWaalsContact CA-O 3.32Å; S159-M197 WeakPolarHBondContact CA-O 3.33Å; V160-M197 PolarHBondContact N-O 3.16Å; M197-L256 CarbonylContact C-O 3.43Å; M197-L256 WeakPolarHBondContact CA-O 3.24Å; M197-L256 HydrophobicContact CB-CB 4.31Å; M197-L256 HydrophobicContact CG-CB 4.28Å; M197-L256 HydrophobicContact CG-CD2 4.16Å; M197-L256 HydrophobicContact CG-CG 4.16Å; M197-L256 HydrophobicContact SD-CD2 3.85Å; M197-L256 HydrophobicContact SD-CG 4.39Å |
| 198 | L | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.8 | 176.9 | 178.3 | 66.9 | 0 | 0 | 0 | 109.3 | V160 V162 F182 S238 V255 L256 I257 S258 | V160-L198 HydrophobicContact CG2-CD1 4.07Å; V162-L198 HydrophobicContact CG2-CD1 3.93Å; F182-L198 HydrophobicContact CZ-CD2 4.4Å; L198-S238 VanDerWaalsContact CD2-O 3.31Å; L198-S238 WeakPolarHBondContact CD2-O 3.34Å; L198-V255 HydrophobicContact CB-CG1 3.99Å; L198-L256 PolarHBondContact N-O 3Å; L198-I257 HydrophobicContact CB-CD1 4.05Å; L198-I257 HydrophobicContact CD2-CD1 4.09Å; L198-I257 HydrophobicContact CG-CD1 4.47Å; L198-I257 WeakPolarHBondContact O-CA 3.05Å; L198-S258 PolarHBondContact O-N 2.52Å |
| 199 | E | 95.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.7 | 174.4 | -73.9 | 166.9 | -139.6 | 0 | 0 | 110.8 | R134 S159 R161 A201 S258 | R134-E199 IonicContact CZ-OE1 3.74Å; R134-E199 VanDerWaalsContact CZ-OE1 3.29Å; R134-E199 IonicContact NE-OE1 3.68Å; R134-E199 PolarHBondContact NE-OE1 3.25Å; R134-E199 IonicContact NH2-OE1 2.66Å; R134-E199 PolarHBondContact NH2-OE1 2.82Å; R134-E199 IonicContact NH2-OE2 3.16Å; S159-E199 PolarHBondContact OG-OE1 2.87Å; R161-E199 IonicContact CZ-OE2 2.88Å; R161-E199 IonicContact NE-OE2 2.76Å; R161-E199 PolarHBondContact NE-OE2 3.05Å; R161-E199 IonicContact NH2-OE2 3.48Å; R161-E199 PolarHBondContact NH2-OE2 2.72Å; E199-A201 HydrophobicContact CB-CB 4.31Å; E199-A201 PolarHBondContact O-N 2.85Å; E199-S258 WeakPolarHBondContact CG-OG 3.48Å |
| 200 | A | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | trans | -74.3 | 60.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | E235 I239 I257 S258 I260 P322 | A200-E235 WeakPolarHBondContact O-CB 3.21Å; A200-E235 WeakPolarHBondContact O-CG 3.32Å; A200-I239 HydrophobicContact CB-CD1 3.77Å; A200-I239 HydrophobicContact CB-CG1 3.87Å; A200-I257 HydrophobicContact CB-CG2 3.97Å; A200-S258 WeakPolarHBondContact CB-O 3.21Å; A200-S258 PolarHBondContact N-O 3.12Å; A200-I260 HydrophobicContact CB-CG1 4.42Å; A200-P322 WeakPolarHBondContact O-CG 3.38Å | ||
| 201 | A | 94.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | trans | -121.3 | 160.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E199 S238 P322 | E199-A201 HydrophobicContact CB-CB 4.31Å; E199-A201 PolarHBondContact O-N 2.85Å; A201-S238 WeakPolarHBondContact O-CB 3.46Å; A201-S238 PolarHBondContact O-OG 2.94Å; A201-P322 HydrophobicContact CB-CG 4.28Å | ||
| 202 | T | 94.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | trans | -64.1 | 136.3 | 173.7 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | V204 L206 S230 A234 | T202-V204 PolarHBondContact O-N 3.17Å; T202-L206 HydrophobicContact CG2-CB 4.12Å; T202-L206 HydrophobicContact CG2-CD2 4.09Å; T202-L206 HydrophobicContact CG2-CG 4.09Å; T202-S230 VanDerWaalsContact OG1-CA 3.24Å; T202-S230 WeakPolarHBondContact OG1-CA 3.33Å; T202-A234 HydrophobicContact CG2-CB 3.8Å; T202-A234 VanDerWaalsContact OG1-CB 3.3Å; T202-A234 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 203 | S | 90.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | trans | -59.4 | 141.5 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 110.4 | S205 L206 S207 | S203-S205 VanDerWaalsContact C-N 3.29Å; S203-S205 PolarHBondContact O-N 2.88Å; S203-L206 PolarHBondContact O-N 2.96Å; S203-L206 VanDerWaalsContact OG-CB 3.31Å; S203-L206 WeakPolarHBondContact OG-CB 3.44Å; S203-L206 PolarHBondContact OG-N 2.83Å; S203-S207 PolarHBondContact O-N 2.67Å | ||
| 204 | V | 86.5 | Confident | 94.2 | Very high | 19 Ų | 19 | 27 Ų | 27 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | -171.4 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | I176 T202 L206 S207 Q208 | I176-V204 HydrophobicContact CD1-CB 3.5Å; I176-V204 HydrophobicContact CD1-CG1 3.79Å; I176-V204 HydrophobicContact CD1-CG2 3.65Å; I176-V204 HydrophobicContact CG1-CB 4.3Å; I176-V204 HydrophobicContact CG1-CG2 3.94Å; T202-V204 PolarHBondContact O-N 3.17Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 3.05Å; V204-S207 PolarHBondContact O-N 3.48Å; V204-Q208 HydrophobicContact CG1-CG 4.33Å; V204-Q208 WeakPolarHBondContact O-CB 3.49Å; V204-Q208 WeakPolarHBondContact O-CG 3.48Å; V204-Q208 PolarHBondContact O-N 3.28Å |
| 205 | S | 87.9 | Confident | 93.9 | Very high | 37 Ų | 37 | 29.5 Ų | 29.5 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.6 | -39 | 174.6 | 37 | 0 | 0 | 0 | 0 | 113 | S164 S203 K209 | S164-S205 PolarHBondContact N-OG 2.81Å; S203-S205 VanDerWaalsContact C-N 3.29Å; S203-S205 PolarHBondContact O-N 2.88Å; S205-K209 PolarHBondContact O-N 3.39Å |
| 206 | L | 91.1 | Very high | 93.8 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.4 | -44.7 | 174.9 | 178.6 | 58 | 0 | 0 | 0 | 111.1 | T202 S203 V204 Q208 K209 L210 A234 | T202-L206 HydrophobicContact CG2-CB 4.12Å; T202-L206 HydrophobicContact CG2-CD2 4.09Å; T202-L206 HydrophobicContact CG2-CG 4.09Å; S203-L206 PolarHBondContact O-N 2.96Å; S203-L206 VanDerWaalsContact OG-CB 3.31Å; S203-L206 WeakPolarHBondContact OG-CB 3.44Å; S203-L206 PolarHBondContact OG-N 2.83Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 3.05Å; L206-Q208 VanDerWaalsContact C-N 3.31Å; L206-Q208 PolarHBondContact O-N 2.91Å; L206-K209 PolarHBondContact O-N 3.29Å; L206-K209 VanDerWaalsContact O-N 3.17Å; L206-L210 HydrophobicContact CD1-CD1 4.06Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 HydrophobicContact CG-CG 4.31Å; L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 3.33Å; L206-A234 HydrophobicContact CD2-CB 3.9Å |
| 207 | S | 91.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 179.5 | -168 | 0 | 0 | 0 | 0 | 111.9 | S203 V204 S211 I229 | S203-S207 PolarHBondContact O-N 2.67Å; V204-S207 PolarHBondContact O-N 3.48Å; S207-S211 WeakPolarHBondContact O-CB 3.37Å; S207-S211 PolarHBondContact O-N 3.08Å; S207-S211 PolarHBondContact O-OG 2.84Å; S207-I229 PolarHBondContact OG-O 3.22Å |
| 208 | Q | 89.8 | Confident | 93.7 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.9 | -75.6 | 171.3 | -19.7 | 0 | 0 | 112.9 | V170 V204 L206 S211 S212 | V170-Q208 VanDerWaalsContact CG1-NE2 3.32Å; V204-Q208 HydrophobicContact CG1-CG 4.33Å; V204-Q208 WeakPolarHBondContact O-CB 3.49Å; V204-Q208 WeakPolarHBondContact O-CG 3.48Å; V204-Q208 PolarHBondContact O-N 3.28Å; L206-Q208 VanDerWaalsContact C-N 3.31Å; L206-Q208 PolarHBondContact O-N 2.91Å; Q208-S211 WeakPolarHBondContact O-CB 3.39Å; Q208-S211 PolarHBondContact O-N 3.43Å; Q208-S212 PolarHBondContact O-N 3.34Å; Q208-S212 PolarHBondContact O-OG 3.23Å |
| 209 | K | 92.6 | Very high | 93.5 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 50% | 0.504 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 177 | 176 | 54.4 | 177.7 | 155.4 | 0 | 111 | S205 L206 S211 S212 D213 | S205-K209 PolarHBondContact O-N 3.39Å; L206-K209 PolarHBondContact O-N 3.29Å; L206-K209 VanDerWaalsContact O-N 3.17Å; K209-S211 VanDerWaalsContact C-N 3.31Å; K209-S211 PolarHBondContact O-N 2.72Å; K209-S212 PolarHBondContact O-N 3.06Å; K209-D213 WeakPolarHBondContact CE-OD2 3.44Å; K209-D213 VanDerWaalsContact NZ-CG 3.31Å; K209-D213 IonicContact NZ-OD1 2.72Å; K209-D213 PolarHBondContact NZ-OD1 3.48Å; K209-D213 IonicContact NZ-OD2 3.08Å; K209-D213 PolarHBondContact NZ-OD2 2.62Å; K209-D213 VanDerWaalsContact NZ-OD2 3.08Å; K209-D213 PolarHBondContact O-N 2.75Å |
| 210 | L | 95.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 176.5 | -67.7 | 174.2 | 0 | 0 | 0 | 111.6 | L206 S212 D213 V214 I229 P231 | L206-L210 HydrophobicContact CD1-CD1 4.06Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 HydrophobicContact CG-CG 4.31Å; L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 3.33Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.19Å; L210-D213 PolarHBondContact O-N 2.85Å; L210-V214 WeakPolarHBondContact O-CB 3.31Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.23Å; L210-V214 PolarHBondContact O-N 3.48Å; L210-I229 HydrophobicContact CB-CB 4.24Å; L210-I229 HydrophobicContact CB-CG2 4.16Å; L210-P231 HydrophobicContact CD1-CG 4.16Å |
| 211 | S | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 176 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | S207 Q208 K209 Q215 V367 | S207-S211 WeakPolarHBondContact O-CB 3.37Å; S207-S211 PolarHBondContact O-N 3.08Å; S207-S211 PolarHBondContact O-OG 2.84Å; Q208-S211 WeakPolarHBondContact O-CB 3.39Å; Q208-S211 PolarHBondContact O-N 3.43Å; K209-S211 VanDerWaalsContact C-N 3.31Å; K209-S211 PolarHBondContact O-N 2.72Å; S211-Q215 VanDerWaalsContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CB 3.11Å; S211-Q215 PolarHBondContact O-N 3.24Å; S211-V367 WeakPolarHBondContact OG-CG1 3.47Å |
| 212 | S | 94.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | Q208 K209 L210 Q215 I216 | Q208-S212 PolarHBondContact O-N 3.34Å; Q208-S212 PolarHBondContact O-OG 3.23Å; K209-S212 PolarHBondContact O-N 3.06Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.19Å; S212-Q215 PolarHBondContact O-N 2.87Å; S212-I216 WeakPolarHBondContact O-CD1 3.35Å; S212-I216 VanDerWaalsContact O-CG1 3.3Å; S212-I216 WeakPolarHBondContact O-CG1 3.2Å; S212-I216 PolarHBondContact O-N 3.2Å; S212-I216 VanDerWaalsContact O-N 3.13Å |
| 213 | D | 96.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | -179 | -68 | -14.2 | 0 | 0 | 0 | 111.4 | K209 L210 I216 N217 | K209-D213 WeakPolarHBondContact CE-OD2 3.44Å; K209-D213 VanDerWaalsContact NZ-CG 3.31Å; K209-D213 IonicContact NZ-OD1 2.72Å; K209-D213 PolarHBondContact NZ-OD1 3.48Å; K209-D213 IonicContact NZ-OD2 3.08Å; K209-D213 PolarHBondContact NZ-OD2 2.62Å; K209-D213 VanDerWaalsContact NZ-OD2 3.08Å; K209-D213 PolarHBondContact O-N 2.75Å; L210-D213 PolarHBondContact O-N 2.85Å; D213-I216 PolarHBondContact O-N 2.77Å; D213-N217 PolarHBondContact O-N 2.87Å; D213-N217 PolarHBondContact O-ND2 3.47Å |
| 214 | V | 95.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L210 I216 N217 F218 I221 V225 L228 | L210-V214 WeakPolarHBondContact O-CB 3.31Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.23Å; L210-V214 PolarHBondContact O-N 3.48Å; V214-I216 VanDerWaalsContact C-N 3.27Å; V214-I216 PolarHBondContact O-N 2.63Å; V214-N217 PolarHBondContact O-N 3.37Å; V214-N217 VanDerWaalsContact O-N 3.16Å; V214-F218 HydrophobicContact CG1-CB 4.49Å; V214-F218 HydrophobicContact CG1-CD2 4.3Å; V214-F218 WeakPolarHBondContact O-CA 3.38Å; V214-F218 PolarHBondContact O-N 2.9Å; V214-I221 HydrophobicContact CG1-CD1 3.74Å; V214-I221 HydrophobicContact CG1-CG2 3.99Å; V214-V225 HydrophobicContact CG1-CG2 3.81Å; V214-L228 HydrophobicContact CG1-CD1 4.4Å; V214-L228 HydrophobicContact CG2-CB 4.34Å; V214-L228 HydrophobicContact CG2-CD1 4.4Å |
| 215 | Q | 93.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -34.5 | -179.8 | -171.1 | 63.7 | 39 | 0 | 0 | 112.9 | S211 S212 P219 N365 | S211-Q215 VanDerWaalsContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CB 3.11Å; S211-Q215 PolarHBondContact O-N 3.24Å; S212-Q215 PolarHBondContact O-N 2.87Å; Q215-P219 PolarHBondContact NE2-O 3.32Å; Q215-P219 VanDerWaalsContact NE2-O 3.12Å; Q215-P219 WeakPolarHBondContact O-CA 3.16Å; Q215-N365 VanDerWaalsContact OE1-CG 3.29Å; Q215-N365 PolarHBondContact OE1-ND2 3.43Å; Q215-N365 PolarHBondContact OE1-OD1 3.2Å |
| 216 | I | 95.9 | Very high | 94.5 | Very high | 129 Ų | 129 | 57 Ų | 57 | 66% | 0.662 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 176.3 | -70.7 | 164.9 | 0 | 0 | 0 | 111 | S212 D213 V214 | S212-I216 WeakPolarHBondContact O-CD1 3.35Å; S212-I216 VanDerWaalsContact O-CG1 3.3Å; S212-I216 WeakPolarHBondContact O-CG1 3.2Å; S212-I216 PolarHBondContact O-N 3.2Å; S212-I216 VanDerWaalsContact O-N 3.13Å; D213-I216 PolarHBondContact O-N 2.77Å; V214-I216 VanDerWaalsContact C-N 3.27Å; V214-I216 PolarHBondContact O-N 2.63Å |
| 217 | N | 96.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 55.5 Ų | 55.5 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -85.7 | -28.2 | -174.1 | -67.8 | -57.8 | 0 | 0 | 0 | 113.3 | D213 V214 | D213-N217 PolarHBondContact O-N 2.87Å; D213-N217 PolarHBondContact O-ND2 3.47Å; V214-N217 PolarHBondContact O-N 3.37Å; V214-N217 VanDerWaalsContact O-N 3.16Å |
| 218 | F | 96.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | trans | -139.2 | 70.6 | -173.9 | -52.8 | -76.2 | 0 | 0 | 0 | 110.3 | V214 D220 I221 | V214-F218 HydrophobicContact CG1-CB 4.49Å; V214-F218 HydrophobicContact CG1-CD2 4.3Å; V214-F218 WeakPolarHBondContact O-CA 3.38Å; V214-F218 PolarHBondContact O-N 2.9Å; F218-D220 PolarHBondContact O-N 3.09Å; F218-I221 HydrophobicContact CB-CB 4.05Å; F218-I221 WeakPolarHBondContact O-CB 3.34Å; F218-I221 VanDerWaalsContact O-CG2 3.29Å; F218-I221 WeakPolarHBondContact O-CG2 3.3Å; F218-I221 PolarHBondContact O-N 3.35Å; F218-I221 VanDerWaalsContact O-N 3.16Å | ||
| 219 | P | 93 | Very high | 95.1 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.6 | -172.9 | 23.7 | -34.5 | 0 | 0 | 0 | 114.5 | Q215 | Q215-P219 PolarHBondContact NE2-O 3.32Å; Q215-P219 VanDerWaalsContact NE2-O 3.12Å; Q215-P219 WeakPolarHBondContact O-CA 3.16Å |
| 220 | D | 93.7 | Very high | 95.2 | Very high | 160 Ų | 160 | 50.4 Ų | 50.4 | 86% | 0.856 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12 | -179.1 | -58.1 | -46.8 | 0 | 0 | 0 | 113.4 | F218 G222 | F218-D220 PolarHBondContact O-N 3.09Å; D220-G222 PolarHBondContact O-N 3.12Å |
| 221 | I | 95.7 | Very high | 95.3 | Very high | 24 Ų | 24 | 50 Ų | 50 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | trans | -60.7 | 136.9 | -178.9 | -163.8 | 169.2 | 0 | 0 | 0 | 111.5 | V214 F218 E224 V225 L228 A366 | V214-I221 HydrophobicContact CG1-CD1 3.74Å; V214-I221 HydrophobicContact CG1-CG2 3.99Å; F218-I221 HydrophobicContact CB-CB 4.05Å; F218-I221 WeakPolarHBondContact O-CB 3.34Å; F218-I221 VanDerWaalsContact O-CG2 3.29Å; F218-I221 WeakPolarHBondContact O-CG2 3.3Å; F218-I221 PolarHBondContact O-N 3.35Å; F218-I221 VanDerWaalsContact O-N 3.16Å; I221-E224 HydrophobicContact CG1-CG 4.14Å; I221-E224 WeakPolarHBondContact CG1-OE1 3.09Å; I221-V225 HydrophobicContact CD1-CB 3.91Å; I221-V225 HydrophobicContact CD1-CG2 4.19Å; I221-V225 HydrophobicContact CG1-CB 4.1Å; I221-V225 HydrophobicContact CG2-CB 3.97Å; I221-V225 HydrophobicContact CG2-CG2 4.04Å; I221-L228 HydrophobicContact CD1-CD1 3.51Å; I221-A366 WeakPolarHBondContact O-CB 3.4Å | ||
| 222 | G | 96.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -86.6 | -167.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D220 E224 V225 A366 | D220-G222 PolarHBondContact O-N 3.12Å; G222-E224 WeakPolarHBondContact CA-OE2 3.49Å; G222-E224 PolarHBondContact N-OE1 3.47Å; G222-E224 PolarHBondContact N-OE2 3.38Å; G222-E224 PolarHBondContact O-N 3.12Å; G222-V225 WeakPolarHBondContact O-CB 3Å; G222-V225 VanDerWaalsContact O-CG1 3.23Å; G222-V225 WeakPolarHBondContact O-CG1 3.37Å; G222-V225 PolarHBondContact O-N 3.15Å; G222-A366 VanDerWaalsContact O-CB 3.24Å; G222-A366 WeakPolarHBondContact O-CB 3.46Å | ||
| 223 | P | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19 | 179.1 | -25.7 | 36.1 | 0 | 0 | 0 | 114.9 | V225 N226 A315 A316 M319 I369 | P223-V225 PolarHBondContact O-N 3.36Å; P223-V225 VanDerWaalsContact O-N 3.07Å; P223-N226 WeakPolarHBondContact O-CB 3.28Å; P223-N226 PolarHBondContact O-N 3.17Å; P223-A315 HydrophobicContact CB-CB 3.92Å; P223-A315 HydrophobicContact CG-CB 3.7Å; P223-A316 HydrophobicContact CG-CB 4.2Å; P223-M319 HydrophobicContact CB-CG 4.15Å; P223-M319 HydrophobicContact CB-SD 3.88Å; P223-I369 HydrophobicContact CB-CD1 4.06Å; P223-I369 HydrophobicContact CG-CD1 3.74Å |
| 224 | E | 95.2 | Very high | 95.6 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -19.6 | 171.1 | 69.1 | -80 | -174.9 | 0 | 0 | 113.6 | I221 G222 N226 L227 T307 | I221-E224 HydrophobicContact CG1-CG 4.14Å; I221-E224 WeakPolarHBondContact CG1-OE1 3.09Å; G222-E224 WeakPolarHBondContact CA-OE2 3.49Å; G222-E224 PolarHBondContact N-OE1 3.47Å; G222-E224 PolarHBondContact N-OE2 3.38Å; G222-E224 PolarHBondContact O-N 3.12Å; E224-N226 PolarHBondContact O-N 2.58Å; E224-L227 PolarHBondContact O-N 3.39Å; E224-L227 VanDerWaalsContact O-N 3.15Å; E224-T307 PolarHBondContact N-O 3.16Å |
| 225 | V | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51.3 | -28.7 | 170.6 | 70 | 0 | 0 | 0 | 0 | 113.1 | V214 I221 G222 P223 L227 L228 I229 A366 V367 | V214-V225 HydrophobicContact CG1-CG2 3.81Å; I221-V225 HydrophobicContact CD1-CB 3.91Å; I221-V225 HydrophobicContact CD1-CG2 4.19Å; I221-V225 HydrophobicContact CG1-CB 4.1Å; I221-V225 HydrophobicContact CG2-CB 3.97Å; I221-V225 HydrophobicContact CG2-CG2 4.04Å; G222-V225 WeakPolarHBondContact O-CB 3Å; G222-V225 VanDerWaalsContact O-CG1 3.23Å; G222-V225 WeakPolarHBondContact O-CG1 3.37Å; G222-V225 PolarHBondContact O-N 3.15Å; P223-V225 PolarHBondContact O-N 3.36Å; P223-V225 VanDerWaalsContact O-N 3.07Å; V225-L227 PolarHBondContact O-N 3.38Å; V225-L228 WeakPolarHBondContact O-CB 3.4Å; V225-L228 PolarHBondContact O-N 2.95Å; V225-I229 HydrophobicContact CG2-CD1 4.5Å; V225-I229 HydrophobicContact CG2-CG2 3.8Å; V225-I229 WeakPolarHBondContact O-CG1 3.44Å; V225-I229 PolarHBondContact O-N 2.88Å; V225-A366 HydrophobicContact CG1-CB 3.81Å; V225-V367 HydrophobicContact CG1-CG2 4.41Å; V225-V367 HydrophobicContact CG2-CG2 3.88Å |
| 226 | N | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -36.7 | -179.3 | -154.7 | 34.8 | 0 | 0 | 0 | 112.9 | P223 E224 L228 S230 M319 C320 P323 R371 | P223-N226 WeakPolarHBondContact O-CB 3.28Å; P223-N226 PolarHBondContact O-N 3.17Å; E224-N226 PolarHBondContact O-N 2.58Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-S230 PolarHBondContact O-N 3.3Å; N226-M319 HydrophobicContact CB-CE 3.75Å; N226-M319 HydrophobicContact CB-SD 3.48Å; N226-M319 WeakPolarHBondContact CB-SD 3.31Å; N226-C320 PolarHBondContact ND2-O 3.33Å; N226-P323 VanDerWaalsContact O-CG 3.27Å; N226-P323 WeakPolarHBondContact O-CG 3.39Å; N226-R371 PolarHBondContact OD1-NE 3.16Å |
| 227 | L | 95.1 | Very high | 96 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.5 | -28 | 178 | -65.8 | 171 | 0 | 0 | 0 | 112.1 | E224 V225 P323 | E224-L227 PolarHBondContact O-N 3.39Å; E224-L227 VanDerWaalsContact O-N 3.15Å; V225-L227 PolarHBondContact O-N 3.38Å; L227-P323 HydrophobicContact CD2-CB 3.72Å |
| 228 | L | 94.7 | Very high | 96 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -81.5 | -38.6 | -178.4 | -59.6 | -180 | 0 | 0 | 0 | 112.5 | V214 I221 V225 N226 S230 | V214-L228 HydrophobicContact CG1-CD1 4.4Å; V214-L228 HydrophobicContact CG2-CB 4.34Å; V214-L228 HydrophobicContact CG2-CD1 4.4Å; I221-L228 HydrophobicContact CD1-CD1 3.51Å; V225-L228 WeakPolarHBondContact O-CB 3.4Å; V225-L228 PolarHBondContact O-N 2.95Å; N226-L228 VanDerWaalsContact C-N 3.31Å; L228-S230 VanDerWaalsContact C-N 3.34Å |
| 229 | I | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.6 | -7.3 | -176.9 | 68.3 | -174.9 | 0 | 0 | 0 | 113.5 | S207 L210 V225 | S207-I229 PolarHBondContact OG-O 3.22Å; L210-I229 HydrophobicContact CB-CB 4.24Å; L210-I229 HydrophobicContact CB-CG2 4.16Å; V225-I229 HydrophobicContact CG2-CD1 4.5Å; V225-I229 HydrophobicContact CG2-CG2 3.8Å; V225-I229 WeakPolarHBondContact O-CG1 3.44Å; V225-I229 PolarHBondContact O-N 2.88Å |
| 230 | S | 95.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -133.2 | 71.1 | 175.1 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | T202 N226 L228 R325 | T202-S230 VanDerWaalsContact OG1-CA 3.24Å; T202-S230 WeakPolarHBondContact OG1-CA 3.33Å; N226-S230 PolarHBondContact O-N 3.3Å; L228-S230 VanDerWaalsContact C-N 3.34Å; S230-R325 PolarHBondContact O-NH2 2.62Å |
| 231 | P | 96.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 31.2 Ų | 31.2 | 22% | 0.221 | 17% | 0.166 | C | C | . | . | trans | -68.6 | 151.1 | -178.9 | 28.8 | -34.5 | 0 | 0 | 0 | 112.1 | L210 E233 A234 E235 | L210-P231 HydrophobicContact CD1-CG 4.16Å; P231-E233 PolarHBondContact O-N 3.3Å; P231-A234 HydrophobicContact CG-CB 3.87Å; P231-A234 WeakPolarHBondContact O-CB 3.43Å; P231-A234 PolarHBondContact O-N 3.42Å; P231-A234 VanDerWaalsContact O-N 3.08Å; P231-E235 PolarHBondContact O-N 3.17Å | ||
| 232 | E | 97.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 25% | 0.248 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -34.7 | -176.6 | -58.8 | -163.7 | -178.8 | 0 | 0 | 112.3 | A234 E235 A236 S262 K263 A264 R325 | E232-A234 PolarHBondContact O-N 2.9Å; E232-E235 WeakPolarHBondContact O-CB 3.22Å; E232-E235 PolarHBondContact O-N 2.75Å; E232-A236 PolarHBondContact O-N 3.13Å; E232-S262 VanDerWaalsContact CG-CB 3.5Å; E232-K263 PolarHBondContact OE2-N 3.07Å; E232-A264 HydrophobicContact CB-CB 3.74Å; E232-A264 PolarHBondContact OE2-N 3.13Å; E232-R325 IonicContact OE1-NE 3.42Å |
| 233 | E | 97.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 29.5 Ų | 29.5 | 65% | 0.645 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -63.4 | -32 | 178.2 | -63.1 | 79.6 | -176.6 | 0 | 0 | 112 | P231 A236 N237 | P231-E233 PolarHBondContact O-N 3.3Å; E233-A236 PolarHBondContact O-N 2.81Å; E233-N237 WeakPolarHBondContact O-CB 3.41Å; E233-N237 PolarHBondContact O-N 3.09Å |
| 234 | A | 96.6 | Very high | 96 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.8 | -36.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T202 L206 P231 E232 A236 N237 S238 | T202-A234 HydrophobicContact CG2-CB 3.8Å; T202-A234 VanDerWaalsContact OG1-CB 3.3Å; T202-A234 WeakPolarHBondContact OG1-CB 3.44Å; L206-A234 HydrophobicContact CD2-CB 3.9Å; P231-A234 HydrophobicContact CG-CB 3.87Å; P231-A234 WeakPolarHBondContact O-CB 3.43Å; P231-A234 PolarHBondContact O-N 3.42Å; P231-A234 VanDerWaalsContact O-N 3.08Å; E232-A234 PolarHBondContact O-N 2.9Å; A234-A236 VanDerWaalsContact C-N 3.34Å; A234-N237 PolarHBondContact O-N 3Å; A234-S238 PolarHBondContact O-N 3.35Å; A234-S238 VanDerWaalsContact O-N 3.12Å; A234-S238 PolarHBondContact O-OG 2.88Å |
| 235 | E | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 169.6 | -59 | 175.7 | -150.5 | 0 | 0 | 110.7 | A200 P231 E232 N237 S238 I239 S262 A265 P322 R325 | A200-E235 WeakPolarHBondContact O-CB 3.21Å; A200-E235 WeakPolarHBondContact O-CG 3.32Å; P231-E235 PolarHBondContact O-N 3.17Å; E232-E235 WeakPolarHBondContact O-CB 3.22Å; E232-E235 PolarHBondContact O-N 2.75Å; E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 3.45Å; E235-S238 PolarHBondContact O-N 2.96Å; E235-I239 PolarHBondContact O-N 3.22Å; E235-S262 WeakPolarHBondContact OE2-CB 3.18Å; E235-S262 PolarHBondContact OE2-N 3.1Å; E235-S262 PolarHBondContact OE2-OG 2.69Å; E235-A265 HydrophobicContact CB-CB 3.96Å; E235-P322 HydrophobicContact CG-CB 4.16Å; E235-P322 HydrophobicContact CG-CG 4.48Å; E235-P322 WeakPolarHBondContact OE1-CB 3.23Å; E235-R325 IonicContact OE1-CZ 3.87Å; E235-R325 IonicContact OE1-NE 3.69Å; E235-R325 IonicContact OE1-NH2 3.66Å; E235-R325 PolarHBondContact OE1-NH2 3.27Å |
| 236 | A | 98.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E232 E233 A234 S238 I239 L240 A264 C268 | E232-A236 PolarHBondContact O-N 3.13Å; E233-A236 PolarHBondContact O-N 2.81Å; A234-A236 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.28Å; A236-I239 WeakPolarHBondContact O-CB 3.38Å; A236-I239 PolarHBondContact O-N 3.35Å; A236-L240 PolarHBondContact O-N 2.93Å; A236-A264 HydrophobicContact CB-CB 3.94Å; A236-C268 HydrophobicContact CB-CB 3.95Å; A236-C268 PolarHBondContact O-SG 3.22Å; A236-C268 VanDerWaalsContact O-SG 3.37Å |
| 237 | N | 97 | Very high | 95.5 | Very high | 74 Ų | 74 | 33.3 Ų | 33.3 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.2 | 179.8 | 75 | 0 | 0 | 0 | 112.2 | E233 A234 E235 I239 L240 Q241 | E233-N237 WeakPolarHBondContact O-CB 3.41Å; E233-N237 PolarHBondContact O-N 3.09Å; A234-N237 PolarHBondContact O-N 3Å; E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 3.45Å; N237-I239 VanDerWaalsContact C-N 3.27Å; N237-I239 PolarHBondContact O-N 3.49Å; N237-L240 PolarHBondContact O-N 2.87Å; N237-Q241 PolarHBondContact ND2-OE1 3.12Å; N237-Q241 WeakPolarHBondContact O-CG 3.03Å; N237-Q241 PolarHBondContact O-N 2.96Å |
| 238 | S | 96.2 | Very high | 95 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 176 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | L198 A201 A234 E235 A236 Q241 G242 | L198-S238 VanDerWaalsContact CD2-O 3.31Å; L198-S238 WeakPolarHBondContact CD2-O 3.34Å; A201-S238 WeakPolarHBondContact O-CB 3.46Å; A201-S238 PolarHBondContact O-OG 2.94Å; A234-S238 PolarHBondContact O-N 3.35Å; A234-S238 VanDerWaalsContact O-N 3.12Å; A234-S238 PolarHBondContact O-OG 2.88Å; E235-S238 PolarHBondContact O-N 2.96Å; A236-S238 PolarHBondContact O-N 3.28Å; S238-Q241 PolarHBondContact O-N 3.21Å; S238-G242 PolarHBondContact O-N 2.86Å |
| 239 | I | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.5 | -61.2 | 178.5 | 0 | 0 | 0 | 111.4 | A200 E235 A236 N237 G242 S243 I257 I260 A265 F269 | A200-I239 HydrophobicContact CB-CD1 3.77Å; A200-I239 HydrophobicContact CB-CG1 3.87Å; E235-I239 PolarHBondContact O-N 3.22Å; A236-I239 WeakPolarHBondContact O-CB 3.38Å; A236-I239 PolarHBondContact O-N 3.35Å; N237-I239 VanDerWaalsContact C-N 3.27Å; N237-I239 PolarHBondContact O-N 3.49Å; I239-G242 PolarHBondContact O-N 3.46Å; I239-S243 WeakPolarHBondContact O-CB 3.29Å; I239-S243 PolarHBondContact O-N 3.45Å; I239-I257 HydrophobicContact CD1-CG2 3.83Å; I239-I257 HydrophobicContact CG1-CG2 3.69Å; I239-I260 HydrophobicContact CD1-CG1 4.31Å; I239-A265 HydrophobicContact CD1-CB 3.74Å; I239-A265 WeakPolarHBondContact CD1-O 3.4Å; I239-F269 HydrophobicContact CD1-CB 4.16Å; I239-F269 HydrophobicContact CG2-CB 4.18Å |
| 240 | L | 96.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 176.7 | 177.8 | 61.2 | 0 | 0 | 0 | 111.4 | A236 N237 S243 L244 Q272 | A236-L240 PolarHBondContact O-N 2.93Å; N237-L240 PolarHBondContact O-N 2.87Å; L240-S243 WeakPolarHBondContact O-CB 3.25Å; L240-S243 PolarHBondContact O-N 2.96Å; L240-L244 HydrophobicContact CD1-CD1 4.39Å; L240-L244 HydrophobicContact CD1-CG 4.39Å; L240-L244 HydrophobicContact CG-CD1 4.26Å; L240-L244 WeakPolarHBondContact O-CG 3.22Å; L240-L244 PolarHBondContact O-N 2.86Å; L240-Q272 HydrophobicContact CD1-CG 4.43Å |
| 241 | Q | 93.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -51.9 | 174.9 | -73.8 | -177.8 | -49.9 | 0 | 0 | 110.4 | E179 N237 S238 S243 L244 F245 | E179-Q241 PolarHBondContact OE1-NE2 3.48Å; E179-Q241 VanDerWaalsContact OE1-NE2 3.13Å; N237-Q241 PolarHBondContact ND2-OE1 3.12Å; N237-Q241 WeakPolarHBondContact O-CG 3.03Å; N237-Q241 PolarHBondContact O-N 2.96Å; S238-Q241 PolarHBondContact O-N 3.21Å; Q241-S243 VanDerWaalsContact C-N 3.27Å; Q241-S243 PolarHBondContact O-N 3.25Å; Q241-L244 PolarHBondContact O-N 3.45Å; Q241-F245 HydrophobicContact CB-CD2 4.45Å; Q241-F245 HydrophobicContact CB-CE2 4.44Å; Q241-F245 WeakPolarHBondContact O-CD2 3.22Å; Q241-F245 PolarHBondContact O-N 3.5Å |
| 242 | G | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.6 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S238 I239 S246 | S238-G242 PolarHBondContact O-N 2.86Å; I239-G242 PolarHBondContact O-N 3.46Å; G242-S246 WeakPolarHBondContact O-CB 3.36Å; G242-S246 PolarHBondContact O-N 3.39Å |
| 243 | S | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | I239 L240 Q241 Q247 Q272 C276 | I239-S243 WeakPolarHBondContact O-CB 3.29Å; I239-S243 PolarHBondContact O-N 3.45Å; L240-S243 WeakPolarHBondContact O-CB 3.25Å; L240-S243 PolarHBondContact O-N 2.96Å; Q241-S243 VanDerWaalsContact C-N 3.27Å; Q241-S243 PolarHBondContact O-N 3.25Å; S243-Q247 VanDerWaalsContact O-CG 3.3Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 2.87Å; S243-Q247 VanDerWaalsContact O-N 3.09Å; S243-Q247 PolarHBondContact O-NE2 3.2Å; S243-Q247 VanDerWaalsContact O-NE2 3.14Å; S243-Q247 PolarHBondContact OG-NE2 3.4Å; S243-Q272 PolarHBondContact OG-OE1 3.13Å; S243-C276 PolarHBondContact OG-SG 3.02Å |
| 244 | L | 93.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 35.1 Ų | 35.1 | 42% | 0.419 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.6 | -49.3 | 179.6 | -69.9 | 170.6 | 0 | 0 | 0 | 111.1 | L240 Q241 S246 Q247 Y248 | L240-L244 HydrophobicContact CD1-CD1 4.39Å; L240-L244 HydrophobicContact CD1-CG 4.39Å; L240-L244 HydrophobicContact CG-CD1 4.26Å; L240-L244 WeakPolarHBondContact O-CG 3.22Å; L240-L244 PolarHBondContact O-N 2.86Å; Q241-L244 PolarHBondContact O-N 3.45Å; L244-S246 PolarHBondContact O-N 2.92Å; L244-Q247 PolarHBondContact O-N 2.8Å; L244-Y248 HydrophobicContact CD2-CE2 4.2Å; L244-Y248 WeakPolarHBondContact O-CD2 3.46Å; L244-Y248 PolarHBondContact O-N 3.17Å |
| 245 | F | 93 | Very high | 90.5 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.9 | -73.4 | -79.3 | 0 | 0 | 0 | 111.9 | E179 F182 C183 L186 Q241 Q247 Y248 A249 | E179-F245 HydrophobicContact CB-CE1 4.21Å; E179-F245 HydrophobicContact CB-CE2 4.44Å; E179-F245 HydrophobicContact CB-CZ 3.67Å; E179-F245 HydrophobicContact CG-CE2 4.15Å; E179-F245 HydrophobicContact CG-CZ 3.78Å; F182-F245 HydrophobicContact CD1-CB 3.81Å; F182-F245 HydrophobicContact CD1-CD1 4.29Å; F182-F245 AromaticContact CD1-CD2 3.64Å; F182-F245 HydrophobicContact CD1-CD2 3.64Å; F182-F245 HydrophobicContact CD1-CE2 4.34Å; F182-F245 AromaticContact CD1-CG 3.66Å; F182-F245 HydrophobicContact CD1-CG 3.66Å; F182-F245 HydrophobicContact CE1-CB 3.55Å; F182-F245 AromaticContact CE1-CD2 3.75Å; F182-F245 HydrophobicContact CE1-CD2 3.75Å; F182-F245 AromaticContact CE1-CG 3.83Å; F182-F245 HydrophobicContact CE1-CG 3.83Å; F182-F245 HydrophobicContact CZ-CB 4.45Å; C183-F245 HydrophobicContact CB-CD1 4.3Å; L186-F245 HydrophobicContact CD1-CB 3.65Å; Q241-F245 HydrophobicContact CB-CD2 4.45Å; Q241-F245 HydrophobicContact CB-CE2 4.44Å; Q241-F245 WeakPolarHBondContact O-CD2 3.22Å; Q241-F245 PolarHBondContact O-N 3.5Å; F245-Q247 PolarHBondContact O-N 3.13Å; F245-Y248 PolarHBondContact O-N 3.23Å; F245-A249 HydrophobicContact CB-CB 4.15Å; F245-A249 HydrophobicContact CD1-CB 3.74Å; F245-A249 HydrophobicContact CG-CB 4.45Å; F245-A249 WeakPolarHBondContact O-CB 3.14Å; F245-A249 PolarHBondContact O-N 3.45Å |
| 246 | S | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.1 | -42.1 | 172.7 | 166.3 | 0 | 0 | 0 | 0 | 111.9 | G242 L244 R252 C253 | G242-S246 WeakPolarHBondContact O-CB 3.36Å; G242-S246 PolarHBondContact O-N 3.39Å; L244-S246 PolarHBondContact O-N 2.92Å; S246-R252 CarbonylContact O-C 3.57Å; S246-R252 WeakPolarHBondContact O-CA 3.27Å; S246-R252 PolarHBondContact O-N 3.13Å; S246-C253 WeakPolarHBondContact CB-O 3.07Å; S246-C253 PolarHBondContact O-N 2.92Å; S246-C253 PolarHBondContact OG-O 2.84Å |
| 247 | Q | 89.9 | Confident | 90.5 | Very high | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.6 | -46.6 | -179.6 | -71.5 | 175.2 | 86.3 | 0 | 0 | 112.8 | S243 L244 F245 R252 C276 | S243-Q247 VanDerWaalsContact O-CG 3.3Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 2.87Å; S243-Q247 VanDerWaalsContact O-N 3.09Å; S243-Q247 PolarHBondContact O-NE2 3.2Å; S243-Q247 VanDerWaalsContact O-NE2 3.14Å; S243-Q247 PolarHBondContact OG-NE2 3.4Å; L244-Q247 PolarHBondContact O-N 2.8Å; F245-Q247 PolarHBondContact O-N 3.13Å; Q247-R252 PolarHBondContact O-N 3.04Å; Q247-R252 PolarHBondContact O-NH1 2.79Å; Q247-C276 HydrophobicContact CG-CB 4.39Å; Q247-C276 VanDerWaalsContact CG-SG 3.53Å; Q247-C276 PolarHBondContact NE2-SG 3.47Å |
| 248 | Y | 85 | Confident | 90.6 | Very high | 160 Ų | 160 | 30.4 Ų | 30.4 | 63% | 0.627 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -109.8 | -31 | -162.4 | -62 | -71 | 0 | 0 | 0 | 115.6 | L244 F245 | L244-Y248 HydrophobicContact CD2-CE2 4.2Å; L244-Y248 WeakPolarHBondContact O-CD2 3.46Å; L244-Y248 PolarHBondContact O-N 3.17Å; F245-Y248 PolarHBondContact O-N 3.23Å |
| 249 | A | 68.8 | Low | 90.6 | Very high | 29 Ų | 29 | 31 Ų | 31 | 24% | 0.24 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C183 F245 | C183-A249 HydrophobicContact CB-CB 3.69Å; C183-A249 WeakPolarHBondContact SG-CB 3.3Å; C183-A249 PolarHBondContact SG-O 2.89Å; C183-A249 VanDerWaalsContact SG-O 3.38Å; F245-A249 HydrophobicContact CB-CB 4.15Å; F245-A249 HydrophobicContact CD1-CB 3.74Å; F245-A249 HydrophobicContact CG-CB 4.45Å; F245-A249 WeakPolarHBondContact O-CB 3.14Å; F245-A249 PolarHBondContact O-N 3.45Å |
| 250 | G | 60.3 | Low | 90.7 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 27.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R190 | R190-G250 WeakPolarHBondContact CD-O 3.39Å; R190-G250 PolarHBondContact NE-O 3.07Å |
| 251 | F | 70.5 | Confident | 90.7 | Very high | 154 Ų | 154 | 28.3 Ų | 28.3 | 68% | 0.675 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 74.6 | -173.5 | -61.3 | -82.2 | 0 | 0 | 0 | 113.3 | R190 | R190-F251 PolarHBondContact NE-O 3.48Å; R190-F251 VanDerWaalsContact NE-O 3.11Å; R190-F251 PolarHBondContact NH1-O 3.05Å; R190-F251 VanDerWaalsContact NH1-O 3.1Å |
| 252 | R | 89 | Confident | 91 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 16% | 0.162 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 64.5 | 70.3 | 174.1 | -51.3 | -63.3 | -170.8 | -92.3 | 1.6 | 113.5 | R190 S246 Q247 I279 V500 V503 | R190-R252 PolarHBondContact NH1-O 2.92Å; S246-R252 CarbonylContact O-C 3.57Å; S246-R252 WeakPolarHBondContact O-CA 3.27Å; S246-R252 PolarHBondContact O-N 3.13Å; Q247-R252 PolarHBondContact O-N 3.04Å; Q247-R252 PolarHBondContact O-NH1 2.79Å; R252-I279 HydrophobicContact CB-CD1 4.13Å; R252-V500 VanDerWaalsContact O-CG1 3.31Å; R252-V500 WeakPolarHBondContact O-CG1 3.5Å; R252-V503 HydrophobicContact CG-CG1 4.11Å |
| 253 | C | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -90.5 | 130.3 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | L186 R190 S246 | L186-C253 HydrophobicContact CB-CB 4.1Å; L186-C253 PolarHBondContact O-SG 2.95Å; R190-C253 HydrophobicContact CB-CB 4.16Å; S246-C253 WeakPolarHBondContact CB-O 3.07Å; S246-C253 PolarHBondContact O-N 2.92Å; S246-C253 PolarHBondContact OG-O 2.84Å | ||
| 254 | P | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -67.7 | 144 | 175.7 | 30 | -34 | 0 | 0 | 0 | 110.5 | L195 P196 I279 F281 V496 Y497 V500 | L195-P254 HydrophobicContact CD1-CB 4.25Å; L195-P254 HydrophobicContact CD1-CG 4.48Å; P196-P254 WeakPolarHBondContact CD-O 3.45Å; P196-P254 WeakPolarHBondContact CG-O 3.5Å; P254-I279 VanDerWaalsContact CA-O 3.28Å; P254-I279 WeakPolarHBondContact CA-O 3.22Å; P254-F281 HydrophobicContact CB-CE2 4.07Å; P254-V496 HydrophobicContact CB-CG1 3.46Å; P254-V496 VanDerWaalsContact CB-CG1 3.46Å; P254-V496 HydrophobicContact CG-CG1 3.5Å; P254-Y497 HydrophobicContact CG-CE1 4.36Å; P254-Y497 HydrophobicContact CG-CE2 4.1Å; P254-V500 HydrophobicContact CB-CG2 3.89Å; P254-V500 HydrophobicContact CG-CG2 3.84Å | ||
| 255 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134 | 178 | -177.7 | 0 | 0 | 0 | 0 | 110 | L186 P196 L198 I257 I279 L280 F281 | L186-V255 HydrophobicContact CD2-CG2 3.97Å; P196-V255 HydrophobicContact CG-CG2 4.1Å; P196-V255 WeakPolarHBondContact O-CA 3.31Å; L198-V255 HydrophobicContact CB-CG1 3.99Å; V255-I257 HydrophobicContact CG1-CD1 3.83Å; V255-I279 PolarHBondContact N-O 3.09Å; V255-I279 VanDerWaalsContact N-O 3.17Å; V255-L280 HydrophobicContact CB-CD2 3.86Å; V255-L280 HydrophobicContact CG2-CD2 4.41Å; V255-L280 WeakPolarHBondContact O-CA 3.49Å; V255-F281 PolarHBondContact O-N 3.29Å |
| 256 | L | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118 | 167 | 178.6 | 61.4 | 0 | 0 | 0 | 109.6 | L157 L195 P196 M197 L198 F281 Q283 L409 | L157-L256 HydrophobicContact CD1-CD2 4.33Å; L195-L256 HydrophobicContact CD1-CB 4.36Å; L195-L256 HydrophobicContact CD2-CB 4.14Å; L195-L256 HydrophobicContact CD2-CD2 4.49Å; L195-L256 HydrophobicContact CG-CB 4.2Å; P196-L256 PolarHBondContact O-N 3Å; M197-L256 CarbonylContact C-O 3.43Å; M197-L256 WeakPolarHBondContact CA-O 3.24Å; M197-L256 HydrophobicContact CB-CB 4.31Å; M197-L256 HydrophobicContact CG-CB 4.28Å; M197-L256 HydrophobicContact CG-CD2 4.16Å; M197-L256 HydrophobicContact CG-CG 4.16Å; M197-L256 HydrophobicContact SD-CD2 3.85Å; M197-L256 HydrophobicContact SD-CG 4.39Å; L198-L256 PolarHBondContact N-O 3Å; L256-F281 HydrophobicContact CD1-CB 3.74Å; L256-Q283 HydrophobicContact CD1-CB 4.03Å; L256-L409 HydrophobicContact CD1-CD1 4.39Å |
| 257 | I | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.3 | 172.2 | -54.6 | -56.8 | 0 | 0 | 0 | 108.1 | L198 A200 I239 V255 I260 F269 F281 Q283 | L198-I257 HydrophobicContact CB-CD1 4.05Å; L198-I257 HydrophobicContact CD2-CD1 4.09Å; L198-I257 HydrophobicContact CG-CD1 4.47Å; L198-I257 WeakPolarHBondContact O-CA 3.05Å; A200-I257 HydrophobicContact CB-CG2 3.97Å; I239-I257 HydrophobicContact CD1-CG2 3.83Å; I239-I257 HydrophobicContact CG1-CG2 3.69Å; V255-I257 HydrophobicContact CG1-CD1 3.83Å; I257-I260 HydrophobicContact CB-CD1 4.25Å; I257-I260 HydrophobicContact CG2-CD1 3.92Å; I257-I260 HydrophobicContact CG2-CG1 3.77Å; I257-F269 HydrophobicContact CB-CD2 4.07Å; I257-F269 HydrophobicContact CB-CE2 4.19Å; I257-F269 HydrophobicContact CG1-CD2 3.98Å; I257-F269 HydrophobicContact CG1-CE2 4.09Å; I257-F269 HydrophobicContact CG2-CD2 4.43Å; I257-F281 PolarHBondContact N-O 3.42Å; I257-Q283 PolarHBondContact O-N 3.5Å |
| 258 | S | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 156.8 | 179.3 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | L198 E199 A200 I260 Q283 | L198-S258 PolarHBondContact O-N 2.52Å; E199-S258 WeakPolarHBondContact CG-OG 3.48Å; A200-S258 WeakPolarHBondContact CB-O 3.21Å; A200-S258 PolarHBondContact N-O 3.12Å; S258-I260 PolarHBondContact O-N 2.93Å; S258-Q283 CarbonylContact C-O 3.34Å |
| 259 | R | 97.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | trans | 55.3 | 46.9 | 175.2 | -55.7 | -174.5 | -174.8 | 164.7 | 9.3 | 114.9 | D67 H69 Y261 Q283 D321 P322 | D67-R259 IonicContact OD1-CZ 2.67Å; D67-R259 IonicContact OD1-NE 3.8Å; D67-R259 PolarHBondContact OD1-NE 2.91Å; D67-R259 IonicContact OD1-NH2 2.77Å; D67-R259 PolarHBondContact OD1-NH2 3.04Å; D67-R259 VanDerWaalsContact OD2-CG 3.3Å; D67-R259 WeakPolarHBondContact OD2-CG 3.35Å; D67-R259 IonicContact OD2-CZ 3.97Å; D67-R259 IonicContact OD2-NE 2.63Å; D67-R259 PolarHBondContact OD2-NE 3.19Å; D67-R259 IonicContact OD2-NH2 2.9Å; H69-R259 PolarHBondContact CD2-NH2 2.78Å; H69-R259 PolarHBondContact NE2-NH2 2.86Å; R259-Y261 VanDerWaalsContact C-CD1 3.41Å; R259-Y261 HydrophobicContact CB-CD1 3.98Å; R259-Y261 HydrophobicContact CB-CE1 3.58Å; R259-Y261 HydrophobicContact CG-CE1 4.08Å; R259-Y261 WeakPolarHBondContact O-CD1 3.35Å; R259-Y261 PolarHBondContact O-N 3.37Å; R259-Q283 PolarHBondContact N-O 3.3Å; R259-D321 PolarHBondContact NH1-O 3.23Å; R259-D321 VanDerWaalsContact NH1-O 3.1Å; R259-P322 HydrophobicContact CB-CG 4.21Å | ||
| 260 | I | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -67.8 | 99.9 | 170.1 | -62.2 | 166.2 | 0 | 0 | 0 | 108.8 | A200 I239 I257 S258 A265 L266 F269 Q283 T284 L334 L343 | A200-I260 HydrophobicContact CB-CG1 4.42Å; I239-I260 HydrophobicContact CD1-CG1 4.31Å; I257-I260 HydrophobicContact CB-CD1 4.25Å; I257-I260 HydrophobicContact CG2-CD1 3.92Å; I257-I260 HydrophobicContact CG2-CG1 3.77Å; S258-I260 PolarHBondContact O-N 2.93Å; I260-A265 HydrophobicContact CG2-CB 4.28Å; I260-L266 HydrophobicContact CG2-CB 3.87Å; I260-L266 HydrophobicContact CG2-CD1 4.11Å; I260-F269 HydrophobicContact CD1-CB 3.95Å; I260-F269 HydrophobicContact CD1-CD1 3.83Å; I260-F269 HydrophobicContact CD1-CD2 3.72Å; I260-F269 HydrophobicContact CD1-CE1 4.31Å; I260-F269 HydrophobicContact CD1-CE2 4.2Å; I260-F269 HydrophobicContact CD1-CG 3.51Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; I260-Q283 PolarHBondContact N-O 2.92Å; I260-Q283 VanDerWaalsContact N-O 3.12Å; I260-T284 PolarHBondContact O-OG1 2.97Å; I260-L334 HydrophobicContact CG2-CD2 4.45Å; I260-L334 WeakPolarHBondContact O-CD2 3.17Å; I260-L343 HydrophobicContact CB-CD2 4.49Å; I260-L343 HydrophobicContact CD1-CD2 3.52Å | ||
| 261 | Y | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | trans | -111.2 | -34.6 | -172.1 | -80.6 | 26.2 | 0 | 0 | 0 | 113 | R259 S285 A288 P322 L324 L330 | R259-Y261 VanDerWaalsContact C-CD1 3.41Å; R259-Y261 HydrophobicContact CB-CD1 3.98Å; R259-Y261 HydrophobicContact CB-CE1 3.58Å; R259-Y261 HydrophobicContact CG-CE1 4.08Å; R259-Y261 WeakPolarHBondContact O-CD1 3.35Å; R259-Y261 PolarHBondContact O-N 3.37Å; Y261-S285 WeakPolarHBondContact CE1-OG 3.44Å; Y261-S285 PolarHBondContact OH-OG 3.14Å; Y261-A288 HydrophobicContact CD1-CB 3.57Å; Y261-A288 HydrophobicContact CD2-CB 4.13Å; Y261-A288 HydrophobicContact CE1-CB 3.84Å; Y261-A288 HydrophobicContact CE2-CB 4.35Å; Y261-A288 HydrophobicContact CG-CB 3.77Å; Y261-P322 HydrophobicContact CD2-CB 4.2Å; Y261-P322 VanDerWaalsContact CD2-O 3.27Å; Y261-P322 WeakPolarHBondContact CD2-O 3.48Å; Y261-P322 VanDerWaalsContact CE2-O 3.29Å; Y261-P322 WeakPolarHBondContact CE2-O 3.33Å; Y261-P322 HydrophobicContact CG-CB 4.36Å; Y261-L324 HydrophobicContact CD2-CD2 4.19Å; Y261-L324 HydrophobicContact CE2-CD2 3.92Å; Y261-L330 VanDerWaalsContact O-CD2 3.27Å; Y261-L330 WeakPolarHBondContact O-CD2 3.19Å | ||
| 262 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -96.3 | 163.7 | -174 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | E232 E235 A265 L266 | E232-S262 VanDerWaalsContact CG-CB 3.5Å; E235-S262 WeakPolarHBondContact OE2-CB 3.18Å; E235-S262 PolarHBondContact OE2-N 3.1Å; E235-S262 PolarHBondContact OE2-OG 2.69Å; S262-A265 PolarHBondContact O-N 2.83Å; S262-A265 WeakPolarHBondContact OG-CB 3.31Å; S262-A265 PolarHBondContact OG-N 3.03Å; S262-A265 VanDerWaalsContact OG-N 3.14Å; S262-L266 VanDerWaalsContact O-CB 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.46Å; S262-L266 PolarHBondContact O-N 3.48Å |
| 263 | K | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 20.7 Ų | 20.7 | 47% | 0.47 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.7 | 177.4 | 177.5 | 178.7 | -178.6 | 0 | 110.7 | E232 N267 L330 | E232-K263 PolarHBondContact OE2-N 3.07Å; K263-N267 WeakPolarHBondContact O-CB 3.35Å; K263-N267 PolarHBondContact O-N 2.93Å; K263-N267 PolarHBondContact O-ND2 2.95Å; K263-L330 HydrophobicContact CB-CD1 4.41Å |
| 264 | A | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 22% | 0.215 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E232 A236 N267 C268 | E232-A264 HydrophobicContact CB-CB 3.74Å; E232-A264 PolarHBondContact OE2-N 3.13Å; A236-A264 HydrophobicContact CB-CB 3.94Å; A264-N267 PolarHBondContact O-N 3.25Å; A264-C268 VanDerWaalsContact O-CB 3.28Å; A264-C268 WeakPolarHBondContact O-CB 2.96Å; A264-C268 PolarHBondContact O-N 3.42Å |
| 265 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E235 I239 I260 S262 C268 F269 | E235-A265 HydrophobicContact CB-CB 3.96Å; I239-A265 HydrophobicContact CD1-CB 3.74Å; I239-A265 WeakPolarHBondContact CD1-O 3.4Å; I260-A265 HydrophobicContact CG2-CB 4.28Å; S262-A265 PolarHBondContact O-N 2.83Å; S262-A265 WeakPolarHBondContact OG-CB 3.31Å; S262-A265 PolarHBondContact OG-N 3.03Å; S262-A265 VanDerWaalsContact OG-N 3.14Å; A265-C268 PolarHBondContact O-N 3.38Å; A265-F269 VanDerWaalsContact O-CB 3.28Å; A265-F269 WeakPolarHBondContact O-CB 3.22Å; A265-F269 PolarHBondContact O-N 3.23Å |
| 266 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 179 | 178.6 | 60.6 | 0 | 0 | 0 | 112.1 | I260 S262 F269 I270 L330 R333 L334 H337 L343 | I260-L266 HydrophobicContact CG2-CB 3.87Å; I260-L266 HydrophobicContact CG2-CD1 4.11Å; S262-L266 VanDerWaalsContact O-CB 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.46Å; S262-L266 PolarHBondContact O-N 3.48Å; L266-F269 PolarHBondContact O-N 3.37Å; L266-I270 HydrophobicContact CD1-CD1 3.92Å; L266-I270 HydrophobicContact CD1-CG1 4.36Å; L266-I270 HydrophobicContact CG-CD1 3.92Å; L266-I270 VanDerWaalsContact O-CD1 3.28Å; L266-I270 WeakPolarHBondContact O-CD1 3.24Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.38Å; L266-I270 PolarHBondContact O-N 3.09Å; L266-L330 HydrophobicContact CD2-CD1 4.12Å; L266-R333 HydrophobicContact CD2-CB 4.1Å; L266-L334 HydrophobicContact CD1-CD2 4.22Å; L266-L334 HydrophobicContact CD2-CD2 4.08Å; L266-H337 HydrophobicContact CD1-CB 4.33Å; L266-L343 HydrophobicContact CD1-CD1 4.3Å |
| 267 | N | 98.6 | Very high | 97 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 178.9 | -72.1 | -8.5 | 0 | 0 | 0 | 111.5 | K263 A264 F269 I270 E271 R333 | K263-N267 WeakPolarHBondContact O-CB 3.35Å; K263-N267 PolarHBondContact O-N 2.93Å; K263-N267 PolarHBondContact O-ND2 2.95Å; A264-N267 PolarHBondContact O-N 3.25Å; N267-F269 PolarHBondContact O-N 2.84Å; N267-I270 PolarHBondContact O-N 3Å; N267-E271 PolarHBondContact O-N 2.77Å; N267-E271 VanDerWaalsContact O-N 3.16Å; N267-R333 PolarHBondContact OD1-NH1 3.31Å; N267-R333 PolarHBondContact OD1-NH2 3.05Å |
| 268 | C | 98.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 12% | 0.122 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -49 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | A236 A264 A265 I270 E271 Q272 | A236-C268 HydrophobicContact CB-CB 3.95Å; A236-C268 PolarHBondContact O-SG 3.22Å; A236-C268 VanDerWaalsContact O-SG 3.37Å; A264-C268 VanDerWaalsContact O-CB 3.28Å; A264-C268 WeakPolarHBondContact O-CB 2.96Å; A264-C268 PolarHBondContact O-N 3.42Å; A265-C268 PolarHBondContact O-N 3.38Å; C268-I270 PolarHBondContact O-N 3.32Å; C268-E271 PolarHBondContact O-N 2.83Å; C268-Q272 WeakPolarHBondContact O-CB 3.41Å; C268-Q272 VanDerWaalsContact O-CG 3.25Å; C268-Q272 WeakPolarHBondContact O-CG 3.24Å; C268-Q272 PolarHBondContact O-N 2.82Å |
| 269 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 179.4 | 173.4 | -99.7 | 0 | 0 | 0 | 112.9 | I239 I257 I260 A265 L266 N267 E271 Q272 R273 L280 D342 L343 | I239-F269 HydrophobicContact CD1-CB 4.16Å; I239-F269 HydrophobicContact CG2-CB 4.18Å; I257-F269 HydrophobicContact CB-CD2 4.07Å; I257-F269 HydrophobicContact CB-CE2 4.19Å; I257-F269 HydrophobicContact CG1-CD2 3.98Å; I257-F269 HydrophobicContact CG1-CE2 4.09Å; I257-F269 HydrophobicContact CG2-CD2 4.43Å; I260-F269 HydrophobicContact CD1-CB 3.95Å; I260-F269 HydrophobicContact CD1-CD1 3.83Å; I260-F269 HydrophobicContact CD1-CD2 3.72Å; I260-F269 HydrophobicContact CD1-CE1 4.31Å; I260-F269 HydrophobicContact CD1-CE2 4.2Å; I260-F269 HydrophobicContact CD1-CG 3.51Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; A265-F269 VanDerWaalsContact O-CB 3.28Å; A265-F269 WeakPolarHBondContact O-CB 3.22Å; A265-F269 PolarHBondContact O-N 3.23Å; L266-F269 PolarHBondContact O-N 3.37Å; N267-F269 PolarHBondContact O-N 2.84Å; F269-E271 VanDerWaalsContact C-N 3.34Å; F269-E271 PolarHBondContact O-N 2.77Å; F269-Q272 PolarHBondContact O-N 2.81Å; F269-R273 HydrophobicContact CE1-CB 4.47Å; F269-R273 HydrophobicContact CZ-CB 4.27Å; F269-R273 HydrophobicContact CZ-CG 4.47Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 3.39Å; F269-L280 HydrophobicContact CE2-CB 4.18Å; F269-D342 WeakPolarHBondContact CE1-O 3Å; F269-L343 HydrophobicContact CD1-CD2 4.13Å; F269-L343 HydrophobicContact CE1-CD2 3.96Å |
| 270 | I | 98.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | -179.6 | -66 | 154.7 | 0 | 0 | 0 | 110.7 | L266 N267 C268 R274 H337 | L266-I270 HydrophobicContact CD1-CD1 3.92Å; L266-I270 HydrophobicContact CD1-CG1 4.36Å; L266-I270 HydrophobicContact CG-CD1 3.92Å; L266-I270 VanDerWaalsContact O-CD1 3.28Å; L266-I270 WeakPolarHBondContact O-CD1 3.24Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.38Å; L266-I270 PolarHBondContact O-N 3.09Å; N267-I270 PolarHBondContact O-N 3Å; C268-I270 PolarHBondContact O-N 3.32Å; I270-R274 VanDerWaalsContact O-CG 3.32Å; I270-R274 WeakPolarHBondContact O-CG 3.2Å; I270-R274 PolarHBondContact O-N 2.88Å; I270-H337 WeakPolarHBondContact CD1-CE1 3.43Å; I270-H337 VanDerWaalsContact CD1-NE2 3.31Å; I270-H337 WeakPolarHBondContact CD1-NE2 3.35Å |
| 271 | E | 98.1 | Very high | 96.3 | Very high | 119 Ų | 119 | 40.5 Ų | 40.5 | 56% | 0.556 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.3 | -51.4 | 177.4 | -175.8 | -179.7 | -175.4 | 0 | 0 | 111.2 | N267 C268 F269 R273 R274 M275 | N267-E271 PolarHBondContact O-N 2.77Å; N267-E271 VanDerWaalsContact O-N 3.16Å; C268-E271 PolarHBondContact O-N 2.83Å; F269-E271 VanDerWaalsContact C-N 3.34Å; F269-E271 PolarHBondContact O-N 2.77Å; E271-R273 VanDerWaalsContact C-N 3.35Å; E271-R273 PolarHBondContact O-N 2.92Å; E271-R274 WeakPolarHBondContact O-CB 3.37Å; E271-R274 PolarHBondContact O-N 3.45Å; E271-R274 VanDerWaalsContact O-N 3.17Å; E271-M275 WeakPolarHBondContact O-CG 3.38Å; E271-M275 PolarHBondContact O-N 3.46Å |
| 272 | Q | 97.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | -178.9 | -66.8 | -44.2 | -55.6 | 0 | 0 | 112.3 | L240 S243 C268 F269 R274 M275 C276 L280 | L240-Q272 HydrophobicContact CD1-CG 4.43Å; S243-Q272 PolarHBondContact OG-OE1 3.13Å; C268-Q272 WeakPolarHBondContact O-CB 3.41Å; C268-Q272 VanDerWaalsContact O-CG 3.25Å; C268-Q272 WeakPolarHBondContact O-CG 3.24Å; C268-Q272 PolarHBondContact O-N 2.82Å; F269-Q272 PolarHBondContact O-N 2.81Å; Q272-R274 VanDerWaalsContact C-N 3.3Å; Q272-R274 PolarHBondContact O-N 2.89Å; Q272-M275 PolarHBondContact O-N 2.84Å; Q272-C276 WeakPolarHBondContact O-CB 3.45Å; Q272-C276 PolarHBondContact O-N 2.94Å; Q272-C276 PolarHBondContact O-SG 2.98Å; Q272-L280 HydrophobicContact CB-CD1 3.84Å |
| 273 | R | 95.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 40 Ų | 40 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.8 | 178.8 | 169.6 | 173.2 | 151.4 | -13.9 | 111.8 | F269 E271 R277 G278 L280 E341 D342 | F269-R273 HydrophobicContact CE1-CB 4.47Å; F269-R273 HydrophobicContact CZ-CB 4.27Å; F269-R273 HydrophobicContact CZ-CG 4.47Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 3.39Å; E271-R273 VanDerWaalsContact C-N 3.35Å; E271-R273 PolarHBondContact O-N 2.92Å; R273-R277 PolarHBondContact O-N 3.33Å; R273-G278 PolarHBondContact O-N 2.66Å; R273-L280 HydrophobicContact CB-CB 4.35Å; R273-L280 WeakPolarHBondContact CD-O 3.41Å; R273-L280 PolarHBondContact NH1-O 3.2Å; R273-E341 PolarHBondContact NH2-O 3.38Å; R273-D342 VanDerWaalsContact CZ-O 3.29Å; R273-D342 PolarHBondContact NH1-O 3.28Å |
| 274 | R | 94.6 | Very high | 96.4 | Very high | 171 Ų | 171 | 34.9 Ų | 34.9 | 65% | 0.645 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -65.7 | -45.8 | 174.1 | -70 | 170.3 | -178.2 | -177.1 | 1.2 | 111.1 | I270 E271 Q272 C276 R277 | I270-R274 VanDerWaalsContact O-CG 3.32Å; I270-R274 WeakPolarHBondContact O-CG 3.2Å; I270-R274 PolarHBondContact O-N 2.88Å; E271-R274 WeakPolarHBondContact O-CB 3.37Å; E271-R274 PolarHBondContact O-N 3.45Å; E271-R274 VanDerWaalsContact O-N 3.17Å; Q272-R274 VanDerWaalsContact C-N 3.3Å; Q272-R274 PolarHBondContact O-N 2.89Å; R274-C276 PolarHBondContact O-N 3.41Å; R274-R277 PolarHBondContact O-N 2.87Å; R274-R277 VanDerWaalsContact O-N 3.1Å |
| 275 | M | 91.8 | Very high | 96.4 | Very high | 119 Ų | 119 | 33.7 Ų | 33.7 | 59% | 0.586 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -62.7 | -40.5 | 178.1 | -66 | -60.4 | 94.1 | 0 | 0 | 112.6 | E271 Q272 R277 | E271-M275 WeakPolarHBondContact O-CG 3.38Å; E271-M275 PolarHBondContact O-N 3.46Å; Q272-M275 PolarHBondContact O-N 2.84Å; M275-R277 PolarHBondContact O-N 3.38Å |
| 276 | C | 90.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.3 | 177 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | S243 Q247 Q272 R274 G278 I279 L280 | S243-C276 PolarHBondContact OG-SG 3.02Å; Q247-C276 HydrophobicContact CG-CB 4.39Å; Q247-C276 VanDerWaalsContact CG-SG 3.53Å; Q247-C276 PolarHBondContact NE2-SG 3.47Å; Q272-C276 WeakPolarHBondContact O-CB 3.45Å; Q272-C276 PolarHBondContact O-N 2.94Å; Q272-C276 PolarHBondContact O-SG 2.98Å; R274-C276 PolarHBondContact O-N 3.41Å; C276-G278 PolarHBondContact O-N 2.87Å; C276-G278 VanDerWaalsContact O-N 3.17Å; C276-I279 HydrophobicContact CB-CD1 4.21Å; C276-I279 HydrophobicContact CB-CG1 3.76Å; C276-I279 WeakPolarHBondContact O-CG1 2.89Å; C276-I279 PolarHBondContact O-N 3.23Å; C276-L280 HydrophobicContact CB-CD1 4.26Å; C276-L280 HydrophobicContact CB-CG 3.99Å |
| 277 | R | 90.8 | Very high | 96.3 | Very high | 129 Ų | 129 | 33.7 Ų | 33.7 | 49% | 0.487 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.8 | -179.8 | -60.8 | 177 | 62.9 | 173 | 0.1 | 113.8 | R273 R274 M275 V503 S506 | R273-R277 PolarHBondContact O-N 3.33Å; R274-R277 PolarHBondContact O-N 2.87Å; R274-R277 VanDerWaalsContact O-N 3.1Å; M275-R277 PolarHBondContact O-N 3.38Å; R277-V503 HydrophobicContact CB-CG2 3.63Å; R277-S506 PolarHBondContact NH1-OG 3.13Å |
| 278 | G | 89.1 | Confident | 96.3 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 13.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R273 C276 L280 R499 | R273-G278 PolarHBondContact O-N 2.66Å; C276-G278 PolarHBondContact O-N 2.87Å; C276-G278 VanDerWaalsContact O-N 3.17Å; G278-L280 VanDerWaalsContact C-N 3.27Å; G278-R499 PolarHBondContact O-NH1 3.16Å |
| 279 | I | 94.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -78.2 | -11.3 | 168.7 | 70 | -176.4 | 0 | 0 | 0 | 113 | R252 P254 V255 C276 F281 V500 V503 | R252-I279 HydrophobicContact CB-CD1 4.13Å; P254-I279 VanDerWaalsContact CA-O 3.28Å; P254-I279 WeakPolarHBondContact CA-O 3.22Å; V255-I279 PolarHBondContact N-O 3.09Å; V255-I279 VanDerWaalsContact N-O 3.17Å; C276-I279 HydrophobicContact CB-CD1 4.21Å; C276-I279 HydrophobicContact CB-CG1 3.76Å; C276-I279 WeakPolarHBondContact O-CG1 2.89Å; C276-I279 PolarHBondContact O-N 3.23Å; I279-F281 WeakPolarHBondContact O-CD2 3.41Å; I279-F281 WeakPolarHBondContact O-CE2 3.46Å; I279-V500 HydrophobicContact CG2-CG2 4.14Å; I279-V503 HydrophobicContact CG2-CB 4.38Å; I279-V503 HydrophobicContact CG2-CG2 4Å | ||
| 280 | L | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.1 | 168.5 | -60.1 | -177.1 | 0 | 0 | 0 | 109.9 | V255 F269 Q272 R273 C276 G278 | V255-L280 HydrophobicContact CB-CD2 3.86Å; V255-L280 HydrophobicContact CG2-CD2 4.41Å; V255-L280 WeakPolarHBondContact O-CA 3.49Å; F269-L280 HydrophobicContact CE2-CB 4.18Å; Q272-L280 HydrophobicContact CB-CD1 3.84Å; R273-L280 HydrophobicContact CB-CB 4.35Å; R273-L280 WeakPolarHBondContact CD-O 3.41Å; R273-L280 PolarHBondContact NH1-O 3.2Å; C276-L280 HydrophobicContact CB-CD1 4.26Å; C276-L280 HydrophobicContact CB-CG 3.99Å; G278-L280 VanDerWaalsContact C-N 3.27Å |
| 281 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.4 | 175 | -59.5 | -92.5 | 0 | 0 | 0 | 108.7 | P254 V255 L256 I257 I279 V344 L409 Y495 V496 | P254-F281 HydrophobicContact CB-CE2 4.07Å; V255-F281 PolarHBondContact O-N 3.29Å; L256-F281 HydrophobicContact CD1-CB 3.74Å; I257-F281 PolarHBondContact N-O 3.42Å; I279-F281 WeakPolarHBondContact O-CD2 3.41Å; I279-F281 WeakPolarHBondContact O-CE2 3.46Å; F281-V344 HydrophobicContact CB-CG2 4.08Å; F281-V344 HydrophobicContact CD1-CG2 4.3Å; F281-L409 HydrophobicContact CB-CD2 4.17Å; F281-L409 HydrophobicContact CD1-CD2 3.67Å; F281-L409 HydrophobicContact CD2-CD2 4.43Å; F281-L409 HydrophobicContact CE1-CD2 4.17Å; F281-L409 HydrophobicContact CG-CD2 3.82Å; F281-Y495 AromaticContact CD1-CE1 3.98Å; F281-Y495 HydrophobicContact CD1-CE1 3.98Å; F281-Y495 HydrophobicContact CE1-CD1 4.05Å; F281-Y495 AromaticContact CE1-CE1 3.57Å; F281-Y495 HydrophobicContact CE1-CE1 3.57Å; F281-V496 HydrophobicContact CE2-CB 4.42Å; F281-V496 HydrophobicContact CE2-CG1 3.91Å; F281-V496 HydrophobicContact CE2-CG2 4.27Å; F281-V496 HydrophobicContact CZ-CB 4.26Å; F281-V496 HydrophobicContact CZ-CG1 4.22Å; F281-V496 HydrophobicContact CZ-CG2 4.07Å |
| 282 | G | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L343 V344 | G282-L343 CarbonylContact O-C 3.33Å; G282-L343 WeakPolarHBondContact O-CA 3.36Å; G282-V344 WeakPolarHBondContact O-CG2 3.48Å; G282-V344 PolarHBondContact O-N 2.89Å |
| 283 | Q | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.9 | 173.5 | 175.4 | -176.6 | 16.4 | 0 | 0 | 109 | D67 L256 I257 S258 R259 I260 C345 | D67-Q283 VanDerWaalsContact CB-NE2 3.34Å; L256-Q283 HydrophobicContact CD1-CB 4.03Å; I257-Q283 PolarHBondContact O-N 3.5Å; S258-Q283 CarbonylContact C-O 3.34Å; R259-Q283 PolarHBondContact N-O 3.3Å; I260-Q283 PolarHBondContact N-O 2.92Å; I260-Q283 VanDerWaalsContact N-O 3.12Å; Q283-C345 WeakPolarHBondContact CA-O 3.31Å |
| 284 | T | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 179.9 | 161.7 | -165.5 | 0 | 0 | 0 | 0 | 109 | I260 I289 L343 C345 V346 G347 | I260-T284 PolarHBondContact O-OG1 2.97Å; T284-I289 HydrophobicContact CG2-CD1 3.89Å; T284-I289 HydrophobicContact CG2-CG1 4.5Å; T284-L343 HydrophobicContact CG2-CD1 3.98Å; T284-C345 PolarHBondContact N-O 2.87Å; T284-V346 HydrophobicContact CG2-CG2 4.41Å; T284-V346 WeakPolarHBondContact O-CA 3.33Å; T284-G347 PolarHBondContact O-N 2.68Å |
| 285 | S | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 160 | 178.8 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | Y261 P287 A288 G347 | Y261-S285 WeakPolarHBondContact CE1-OG 3.44Å; Y261-S285 PolarHBondContact OH-OG 3.14Å; S285-P287 WeakPolarHBondContact OG-CD 3.44Å; S285-A288 PolarHBondContact O-N 3.23Å; S285-G347 CarbonylContact C-O 3.54Å; S285-G347 WeakPolarHBondContact CA-O 3.36Å; S285-G347 WeakPolarHBondContact CB-O 3.36Å |
| 286 | I | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | -178.2 | -166 | 55.4 | 0 | 0 | 0 | 113.7 | A288 I289 A290 V346 G347 R379 A382 L383 F451 | I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 3.16Å; I286-I289 HydrophobicContact CD1-CB 4.49Å; I286-I289 PolarHBondContact O-N 3.17Å; I286-I289 VanDerWaalsContact O-N 3.14Å; I286-A290 HydrophobicContact CD1-CB 3.86Å; I286-A290 HydrophobicContact CG1-CB 3.98Å; I286-A290 WeakPolarHBondContact O-CB 3.31Å; I286-A290 PolarHBondContact O-N 3.18Å; I286-V346 HydrophobicContact CB-CG1 4.3Å; I286-G347 PolarHBondContact N-O 3.48Å; I286-R379 HydrophobicContact CB-CG 4.21Å; I286-R379 HydrophobicContact CG2-CB 4.1Å; I286-R379 HydrophobicContact CG2-CG 4.16Å; I286-A382 HydrophobicContact CD1-CB 3.94Å; I286-A382 HydrophobicContact CG1-CB 3.75Å; I286-L383 HydrophobicContact CD1-CB 3.87Å; I286-L383 HydrophobicContact CD1-CD1 4.41Å; I286-F451 HydrophobicContact CG1-CE1 4.32Å; I286-F451 HydrophobicContact CG2-CE1 4.42Å; I286-F451 HydrophobicContact CG2-CZ 4.17Å |
| 287 | P | 98.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.3 | -37.7 | 176.7 | -27.8 | 39.1 | 0 | 0 | 0 | 113.9 | S285 I289 V291 P292 L324 S348 I373 F451 | S285-P287 WeakPolarHBondContact OG-CD 3.44Å; P287-I289 PolarHBondContact O-N 3.2Å; P287-V291 HydrophobicContact CB-CG2 4.3Å; P287-V291 WeakPolarHBondContact O-CB 3.32Å; P287-V291 PolarHBondContact O-N 2.83Å; P287-P292 VanDerWaalsContact O-CD 3.25Å; P287-P292 WeakPolarHBondContact O-CD 3.1Å; P287-L324 HydrophobicContact CB-CD2 3.79Å; P287-S348 VanDerWaalsContact CD-O 3.26Å; P287-S348 WeakPolarHBondContact CD-O 3.38Å; P287-I373 HydrophobicContact CB-CD1 3.87Å; P287-I373 HydrophobicContact CB-CG2 4.33Å; P287-I373 HydrophobicContact CG-CB 4.3Å; P287-I373 HydrophobicContact CG-CD1 4.37Å; P287-I373 HydrophobicContact CG-CG2 3.89Å; P287-F451 HydrophobicContact CG-CZ 4.32Å |
| 288 | A | 98.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 18 Ų | 18 | 5% | 0.05 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.6 | -19.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y261 S285 I286 S331 L334 | Y261-A288 HydrophobicContact CD1-CB 3.57Å; Y261-A288 HydrophobicContact CD2-CB 4.13Å; Y261-A288 HydrophobicContact CE1-CB 3.84Å; Y261-A288 HydrophobicContact CE2-CB 4.35Å; Y261-A288 HydrophobicContact CG-CB 3.77Å; S285-A288 PolarHBondContact O-N 3.23Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 3.16Å; A288-S331 PolarHBondContact O-OG 3.4Å; A288-L334 HydrophobicContact CB-CD1 3.9Å |
| 289 | I | 98.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -96.8 | -61.8 | 176.8 | -64 | 171.2 | 0 | 0 | 0 | 110.1 | T284 I286 P287 L293 S331 L334 L335 L338 L383 F386 | T284-I289 HydrophobicContact CG2-CD1 3.89Å; T284-I289 HydrophobicContact CG2-CG1 4.5Å; I286-I289 HydrophobicContact CD1-CB 4.49Å; I286-I289 PolarHBondContact O-N 3.17Å; I286-I289 VanDerWaalsContact O-N 3.14Å; P287-I289 PolarHBondContact O-N 3.2Å; I289-L293 HydrophobicContact CG2-CD1 3.86Å; I289-L293 WeakPolarHBondContact O-CB 3.3Å; I289-L293 WeakPolarHBondContact O-CD1 3.19Å; I289-L293 WeakPolarHBondContact O-CG 3.18Å; I289-L293 PolarHBondContact O-N 3.22Å; I289-S331 PolarHBondContact O-OG 3.21Å; I289-L334 HydrophobicContact CD1-CB 4.4Å; I289-L334 HydrophobicContact CG1-CB 4.04Å; I289-L334 HydrophobicContact CG1-CD1 4.2Å; I289-L335 HydrophobicContact CD1-CD2 4.19Å; I289-L335 HydrophobicContact CD1-CG 4.45Å; I289-L335 HydrophobicContact CG2-CD1 4.01Å; I289-L335 HydrophobicContact CG2-CD2 3.99Å; I289-L335 HydrophobicContact CG2-CG 3.91Å; I289-L338 HydrophobicContact CD1-CD1 3.92Å; I289-L383 HydrophobicContact CD1-CD1 4.33Å; I289-F386 HydrophobicContact CG2-CB 4.43Å |
| 290 | A | 97.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.8 | -36.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I286 L293 S294 A382 F386 F451 | I286-A290 HydrophobicContact CD1-CB 3.86Å; I286-A290 HydrophobicContact CG1-CB 3.98Å; I286-A290 WeakPolarHBondContact O-CB 3.31Å; I286-A290 PolarHBondContact O-N 3.18Å; A290-L293 PolarHBondContact O-N 2.99Å; A290-S294 VanDerWaalsContact O-CB 3.3Å; A290-S294 WeakPolarHBondContact O-CB 3.44Å; A290-S294 PolarHBondContact O-N 3.45Å; A290-S294 PolarHBondContact O-OG 2.96Å; A290-A382 HydrophobicContact CB-CB 3.88Å; A290-F386 HydrophobicContact CB-CD2 3.51Å; A290-F386 HydrophobicContact CB-CE2 3.64Å; A290-F451 HydrophobicContact CB-CD1 4.2Å; A290-F451 HydrophobicContact CB-CE1 3.85Å |
| 291 | V | 95.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -52.1 | -177.5 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | P287 L293 S294 L306 Y318 L324 L450 F451 | P287-V291 HydrophobicContact CB-CG2 4.3Å; P287-V291 WeakPolarHBondContact O-CB 3.32Å; P287-V291 PolarHBondContact O-N 2.83Å; V291-L293 PolarHBondContact O-N 3.47Å; V291-S294 PolarHBondContact O-N 2.79Å; V291-S294 PolarHBondContact O-OG 3.06Å; V291-L306 HydrophobicContact CG1-CD2 3.68Å; V291-Y318 HydrophobicContact CG1-CD1 3.93Å; V291-Y318 HydrophobicContact CG1-CE1 3.55Å; V291-L324 HydrophobicContact CB-CD1 3.9Å; V291-L324 HydrophobicContact CG1-CD1 3.68Å; V291-L324 HydrophobicContact CG2-CD1 4.25Å; V291-L450 HydrophobicContact CG2-CB 4.1Å; V291-F451 HydrophobicContact CG2-CE1 4.28Å; V291-F451 HydrophobicContact CG2-CZ 4.3Å |
| 292 | P | 94.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 175.5 | -23.3 | 34.4 | 0 | 0 | 0 | 112.8 | P287 S294 L295 R325 T328 S331 | P287-P292 VanDerWaalsContact O-CD 3.25Å; P287-P292 WeakPolarHBondContact O-CD 3.1Å; P292-S294 VanDerWaalsContact C-N 3.26Å; P292-S294 PolarHBondContact O-N 2.72Å; P292-L295 WeakPolarHBondContact O-CB 3.31Å; P292-L295 PolarHBondContact O-N 3.35Å; P292-R325 WeakPolarHBondContact CG-O 3.32Å; P292-T328 HydrophobicContact CB-CG2 4.21Å; P292-T328 WeakPolarHBondContact O-CG2 3.46Å; P292-S331 WeakPolarHBondContact CB-OG 3.22Å |
| 293 | L | 94.4 | Very high | 83.9 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -30.3 | -179.9 | -69.3 | 175.6 | 0 | 0 | 0 | 113.2 | I289 A290 V291 L295 M296 Q332 L335 F386 | I289-L293 HydrophobicContact CG2-CD1 3.86Å; I289-L293 WeakPolarHBondContact O-CB 3.3Å; I289-L293 WeakPolarHBondContact O-CD1 3.19Å; I289-L293 WeakPolarHBondContact O-CG 3.18Å; I289-L293 PolarHBondContact O-N 3.22Å; A290-L293 PolarHBondContact O-N 2.99Å; V291-L293 PolarHBondContact O-N 3.47Å; L293-L295 PolarHBondContact O-N 3.12Å; L293-M296 WeakPolarHBondContact O-CB 3.37Å; L293-M296 PolarHBondContact O-N 3.03Å; L293-Q332 HydrophobicContact CD2-CG 4.2Å; L293-L335 HydrophobicContact CD1-CD1 3.98Å; L293-F386 HydrophobicContact CB-CD1 3.6Å; L293-F386 HydrophobicContact CB-CE1 3.64Å; L293-F386 HydrophobicContact CB-CG 4.23Å; L293-F386 HydrophobicContact CB-CZ 4.29Å; L293-F386 HydrophobicContact CD1-CB 3.95Å; L293-F386 HydrophobicContact CD1-CD1 3.99Å; L293-F386 HydrophobicContact CD1-CG 4.13Å; L293-F386 HydrophobicContact CG-CD1 4.44Å |
| 294 | S | 91.4 | Very high | 83.2 | Confident | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -19.3 | 174.6 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | A290 V291 P292 T454 | A290-S294 VanDerWaalsContact O-CB 3.3Å; A290-S294 WeakPolarHBondContact O-CB 3.44Å; A290-S294 PolarHBondContact O-N 3.45Å; A290-S294 PolarHBondContact O-OG 2.96Å; V291-S294 PolarHBondContact O-N 2.79Å; V291-S294 PolarHBondContact O-OG 3.06Å; P292-S294 VanDerWaalsContact C-N 3.26Å; P292-S294 PolarHBondContact O-N 2.72Å; S294-T454 VanDerWaalsContact CB-OG1 3.31Å; S294-T454 WeakPolarHBondContact CB-OG1 3.2Å |
| 295 | L | 85.4 | Confident | 82.6 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.2 | 179.3 | -58 | 174.3 | 0 | 0 | 0 | 113.3 | P292 L293 N297 C298 V305 L306 | P292-L295 WeakPolarHBondContact O-CB 3.31Å; P292-L295 PolarHBondContact O-N 3.35Å; L293-L295 PolarHBondContact O-N 3.12Å; L295-N297 PolarHBondContact O-N 3.23Å; L295-N297 VanDerWaalsContact O-N 3.16Å; L295-C298 WeakPolarHBondContact O-CB 3.32Å; L295-C298 PolarHBondContact O-N 2.87Å; L295-V305 HydrophobicContact CD1-CB 4.15Å; L295-V305 HydrophobicContact CD1-CG1 4.48Å; L295-L306 HydrophobicContact CD1-CD2 3.6Å; L295-L306 HydrophobicContact CD1-CG 3.89Å |
| 296 | M | 79.6 | Confident | 82.3 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.4 | 180 | -81 | -69.9 | -141 | 0 | 0 | 113.6 | L293 T328 | L293-M296 WeakPolarHBondContact O-CB 3.37Å; L293-M296 PolarHBondContact O-N 3.03Å; M296-T328 HydrophobicContact CE-CG2 4.03Å; M296-T328 WeakPolarHBondContact CE-OG1 3.3Å; M296-T328 HydrophobicContact CG-CG2 3.75Å; M296-T328 HydrophobicContact SD-CG2 3.69Å; M296-T328 PolarHBondContact SD-OG1 3.47Å; M296-T328 VanDerWaalsContact SD-OG1 3.41Å |
| 297 | N | 68 | Low | 82 | Confident | 147 Ų | 147 | 52.6 Ų | 52.6 | 79% | 0.786 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.3 | -178.1 | -64.7 | -29 | 0 | 0 | 0 | 113 | L295 D299 | L295-N297 PolarHBondContact O-N 3.23Å; L295-N297 VanDerWaalsContact O-N 3.16Å; N297-D299 PolarHBondContact O-N 3.37Å |
| 298 | C | 64.8 | Low | 81.7 | Confident | 57 Ų | 57 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | trans | -78.5 | 104.9 | 171.3 | -62.8 | 0 | 0 | 0 | 0 | 107.4 | L295 D300 | L295-C298 WeakPolarHBondContact O-CB 3.32Å; L295-C298 PolarHBondContact O-N 2.87Å; C298-D300 PolarHBondContact O-N 2.64Å | ||
| 299 | D | 55.7 | Low | 81.4 | Confident | 163 Ų | 163 | 57.6 Ų | 57.6 | 87% | 0.872 | 31% | 0.306 | S | S | * | . | trans | -59.2 | -0.6 | 177 | -78.9 | -30.5 | 0 | 0 | 0 | 114.3 | N297 H301 | N297-D299 PolarHBondContact O-N 3.37Å; D299-H301 PolarHBondContact O-N 3.42Å | ||
| 300 | D | 56 | Low | 81.1 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | trans | -88.7 | 97.3 | 177.4 | -151 | 14 | 0 | 0 | 0 | 108.6 | C298 S302 | C298-D300 PolarHBondContact O-N 2.64Å; D300-S302 VanDerWaalsContact CG-CB 3.45Å; D300-S302 PolarHBondContact O-N 3.06Å; D300-S302 WeakPolarHBondContact OD1-CB 3.26Å; D300-S302 VanDerWaalsContact OD2-CB 3.31Å; D300-S302 WeakPolarHBondContact OD2-CB 3.47Å; D300-S302 PolarHBondContact OD2-OG 3.47Å | ||
| 301 | H | 52.6 | Low | 81 | Confident | 193 Ų | 193 | 70.4 Ų | 70.4 | 89% | 0.894 | 37% | 0.366 | S | S | * | . | trans | -63.3 | 21.4 | 163.5 | -66.4 | -53.4 | 0 | 0 | 0 | 112.6 | D299 | D299-H301 PolarHBondContact O-N 3.42Š| ||
| 302 | S | 64.6 | Low | 81 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -72.8 | 144.9 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | D300 D304 | D300-S302 VanDerWaalsContact CG-CB 3.45Å; D300-S302 PolarHBondContact O-N 3.06Å; D300-S302 WeakPolarHBondContact OD1-CB 3.26Å; D300-S302 VanDerWaalsContact OD2-CB 3.31Å; D300-S302 WeakPolarHBondContact OD2-CB 3.47Å; D300-S302 PolarHBondContact OD2-OG 3.47Å; S302-D304 PolarHBondContact O-N 2.94Å; S302-D304 VanDerWaalsContact OG-CB 3.31Å; S302-D304 WeakPolarHBondContact OG-CB 3.38Å; S302-D304 PolarHBondContact OG-N 3.47Å |
| 303 | N | 73.3 | Confident | 81.1 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 77% | 0.765 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -68.3 | 10.5 | 165.5 | -68.7 | -25.6 | 0 | 0 | 0 | 111.7 | V305 H308 | N303-V305 PolarHBondContact O-N 3.5Å; N303-H308 WeakPolarHBondContact O-CB 2.91Å |
| 304 | D | 84 | Confident | 81.2 | Confident | 50 Ų | 50 | 77.2 Ų | 77.2 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | trans | -84.5 | 51.5 | -176.9 | -159.5 | -21.2 | 0 | 0 | 0 | 110.6 | S302 S309 K310 | S302-D304 PolarHBondContact O-N 2.94Å; S302-D304 VanDerWaalsContact OG-CB 3.31Å; S302-D304 WeakPolarHBondContact OG-CB 3.38Å; S302-D304 PolarHBondContact OG-N 3.47Å; D304-S309 WeakPolarHBondContact OD1-CA 3.44Å; D304-S309 WeakPolarHBondContact OD1-CB 3.22Å; D304-S309 PolarHBondContact OD1-OG 3.33Å; D304-K310 PolarHBondContact OD1-N 3.48Å; D304-K310 WeakPolarHBondContact OD2-CD 3.02Å; D304-K310 WeakPolarHBondContact OD2-CG 3.43Å | ||
| 305 | V | 86.1 | Confident | 81.4 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -129.6 | 152.6 | -176.8 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | L295 N303 T307 H308 | L295-V305 HydrophobicContact CD1-CB 4.15Å; L295-V305 HydrophobicContact CD1-CG1 4.48Å; N303-V305 PolarHBondContact O-N 3.5Å; V305-T307 PolarHBondContact O-N 3.25Å; V305-H308 WeakPolarHBondContact O-CB 3.14Å; V305-H308 PolarHBondContact O-N 3.41Å |
| 306 | L | 91.9 | Very high | 82 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | 50.5 | -130.9 | 179.7 | -54.4 | -176.2 | 0 | 0 | 0 | 111.5 | V291 L295 H308 S309 A315 Y318 L324 P326 | V291-L306 HydrophobicContact CG1-CD2 3.68Å; L295-L306 HydrophobicContact CD1-CD2 3.6Å; L295-L306 HydrophobicContact CD1-CG 3.89Å; L306-H308 PolarHBondContact O-N 3.05Å; L306-S309 PolarHBondContact O-N 3.02Å; L306-A315 WeakPolarHBondContact O-CA 3.44Å; L306-Y318 VanDerWaalsContact C-CD2 3.42Å; L306-Y318 HydrophobicContact CB-CD2 4.42Å; L306-Y318 HydrophobicContact CB-CG 4.22Å; L306-Y318 HydrophobicContact CD2-CD1 3.49Å; L306-Y318 VanDerWaalsContact CD2-CD1 3.49Å; L306-Y318 HydrophobicContact CD2-CE1 3.57Å; L306-Y318 HydrophobicContact CD2-CG 4Å; L306-Y318 WeakPolarHBondContact O-CD2 3.31Å; L306-L324 HydrophobicContact CD1-CB 4.25Å; L306-P326 HydrophobicContact CD1-CB 3.78Å; L306-P326 HydrophobicContact CD1-CG 4.48Å |
| 307 | T | 92.8 | Very high | 82.8 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -69.9 | -10.8 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | E224 V305 S309 M319 | E224-T307 PolarHBondContact N-O 3.16Å; V305-T307 PolarHBondContact O-N 3.25Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-M319 HydrophobicContact CG2-SD 4.33Å |
| 308 | H | 92.5 | Very high | 84.2 | Confident | 95 Ų | 95 | 65.1 Ų | 65.1 | 44% | 0.44 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -91.7 | 6.3 | 174.7 | -72.8 | -82.3 | 0 | 0 | 0 | 113 | N303 V305 L306 K310 | N303-H308 WeakPolarHBondContact O-CB 2.91Å; V305-H308 WeakPolarHBondContact O-CB 3.14Å; V305-H308 PolarHBondContact O-N 3.41Å; L306-H308 PolarHBondContact O-N 3.05Å; H308-K310 PolarHBondContact O-N 2.66Å |
| 309 | S | 92.5 | Very high | 85.6 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -62.6 | 138.6 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | D304 L306 T307 N311 A315 | D304-S309 WeakPolarHBondContact OD1-CA 3.44Å; D304-S309 WeakPolarHBondContact OD1-CB 3.22Å; D304-S309 PolarHBondContact OD1-OG 3.33Å; L306-S309 PolarHBondContact O-N 3.02Å; T307-S309 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact O-N 2.88Å; S309-N311 PolarHBondContact OG-N 3.46Å; S309-A315 WeakPolarHBondContact O-CB 3.49Å | ||
| 310 | K | 91.9 | Very high | 87.5 | Confident | 180 Ų | 180 | 55 Ų | 55 | 78% | 0.783 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67 | -24.1 | 176.1 | -66.8 | 177.2 | -171.6 | 161.3 | 0 | 112.6 | D304 H308 W312 | D304-K310 PolarHBondContact OD1-N 3.48Å; D304-K310 WeakPolarHBondContact OD2-CD 3.02Å; D304-K310 WeakPolarHBondContact OD2-CG 3.43Å; H308-K310 PolarHBondContact O-N 2.66Å; K310-W312 PolarHBondContact O-N 2.79Å |
| 311 | N | 94.2 | Very high | 89.3 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -81.9 | 108 | 170.8 | -178.3 | -26.4 | 0 | 0 | 0 | 108.8 | S309 A313 V314 A315 | S309-N311 PolarHBondContact O-N 2.88Å; S309-N311 PolarHBondContact OG-N 3.46Å; N311-A313 PolarHBondContact O-N 2.6Å; N311-A313 WeakPolarHBondContact OD1-CB 3.48Å; N311-A313 PolarHBondContact OD1-N 3.06Å; N311-V314 HydrophobicContact CB-CB 4Å; N311-V314 HydrophobicContact CB-CG2 3.88Å; N311-V314 WeakPolarHBondContact O-CB 3.41Å; N311-V314 PolarHBondContact O-N 3Å; N311-V314 PolarHBondContact OD1-N 3.3Å; N311-A315 PolarHBondContact O-N 3.1Å |
| 312 | W | 95.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -53.1 | -39.5 | -178 | -176 | 93.4 | 0 | 0 | 0 | 113.3 | K310 A315 A316 R358 A359 G362 I369 | K310-W312 PolarHBondContact O-N 2.79Å; W312-A315 PolarHBondContact O-N 3.39Å; W312-A316 HydrophobicContact CD2-CB 4.37Å; W312-A316 HydrophobicContact CE3-CB 4.17Å; W312-A316 HydrophobicContact CH2-CB 3.83Å; W312-A316 HydrophobicContact CZ2-CB 4.09Å; W312-A316 HydrophobicContact CZ3-CB 3.89Å; W312-A316 WeakPolarHBondContact O-CB 3.46Å; W312-A316 PolarHBondContact O-N 3.04Å; W312-R358 HydrophobicContact CH2-CB 4.34Å; W312-A359 VanDerWaalsContact CH2-CA 3.48Å; W312-A359 HydrophobicContact CH2-CB 4.21Å; W312-A359 HydrophobicContact CZ3-CB 3.92Å; W312-G362 VanDerWaalsContact CZ2-C 3.48Å; W312-I369 HydrophobicContact CH2-CD1 4.49Å; W312-I369 HydrophobicContact CH2-CG1 4.46Å; W312-I369 HydrophobicContact CZ2-CD1 3.75Å; W312-I369 HydrophobicContact CZ2-CG1 3.97Å |
| 313 | A | 96.6 | Very high | 93 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N311 S317 T355 | N311-A313 PolarHBondContact O-N 2.6Å; N311-A313 WeakPolarHBondContact OD1-CB 3.48Å; N311-A313 PolarHBondContact OD1-N 3.06Å; A313-S317 PolarHBondContact O-N 3.39Å; A313-S317 VanDerWaalsContact O-N 3.08Å; A313-T355 HydrophobicContact CB-CG2 3.86Å |
| 314 | V | 94.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 33% | 0.333 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -50 | 173.6 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | N311 A316 S317 Y318 | N311-V314 HydrophobicContact CB-CB 4Å; N311-V314 HydrophobicContact CB-CG2 3.88Å; N311-V314 WeakPolarHBondContact O-CB 3.41Å; N311-V314 PolarHBondContact O-N 3Å; N311-V314 PolarHBondContact OD1-N 3.3Å; V314-A316 VanDerWaalsContact C-N 3.35Å; V314-A316 PolarHBondContact O-N 3.19Å; V314-S317 WeakPolarHBondContact O-CB 3.1Å; V314-S317 PolarHBondContact O-N 3.28Å; V314-S317 VanDerWaalsContact O-N 3.09Å; V314-S317 PolarHBondContact O-OG 3.29Å; V314-Y318 HydrophobicContact CG1-CD2 4.44Å; V314-Y318 HydrophobicContact CG1-CE2 3.72Å; V314-Y318 WeakPolarHBondContact O-CD2 3.42Å |
| 315 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P223 L306 S309 N311 W312 S317 Y318 | P223-A315 HydrophobicContact CB-CB 3.92Å; P223-A315 HydrophobicContact CG-CB 3.7Å; L306-A315 WeakPolarHBondContact O-CA 3.44Å; S309-A315 WeakPolarHBondContact O-CB 3.49Å; N311-A315 PolarHBondContact O-N 3.1Å; W312-A315 PolarHBondContact O-N 3.39Å; A315-S317 PolarHBondContact O-N 2.88Å; A315-Y318 PolarHBondContact O-N 2.83Å |
| 316 | A | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -28 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P223 W312 V314 Y318 M319 R358 I369 | P223-A316 HydrophobicContact CG-CB 4.2Å; W312-A316 HydrophobicContact CD2-CB 4.37Å; W312-A316 HydrophobicContact CE3-CB 4.17Å; W312-A316 HydrophobicContact CH2-CB 3.83Å; W312-A316 HydrophobicContact CZ2-CB 4.09Å; W312-A316 HydrophobicContact CZ3-CB 3.89Å; W312-A316 WeakPolarHBondContact O-CB 3.46Å; W312-A316 PolarHBondContact O-N 3.04Å; V314-A316 VanDerWaalsContact C-N 3.35Å; V314-A316 PolarHBondContact O-N 3.19Å; A316-Y318 VanDerWaalsContact C-N 3.26Å; A316-Y318 PolarHBondContact O-N 3.03Å; A316-M319 VanDerWaalsContact O-CB 3.3Å; A316-M319 WeakPolarHBondContact O-CB 3.36Å; A316-M319 WeakPolarHBondContact O-CG 3.42Å; A316-M319 PolarHBondContact O-N 3.43Å; A316-R358 HydrophobicContact CB-CB 4.46Å; A316-R358 WeakPolarHBondContact O-CD 3.32Å; A316-R358 PolarHBondContact O-NH1 3.26Å; A316-I369 HydrophobicContact CB-CD1 4.07Å; A316-I369 HydrophobicContact CB-CG2 4.39Å |
| 317 | S | 96.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -26.6 | 178.4 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | A313 V314 A315 M319 L450 | A313-S317 PolarHBondContact O-N 3.39Å; A313-S317 VanDerWaalsContact O-N 3.08Å; V314-S317 WeakPolarHBondContact O-CB 3.1Å; V314-S317 PolarHBondContact O-N 3.28Å; V314-S317 VanDerWaalsContact O-N 3.09Å; V314-S317 PolarHBondContact O-OG 3.29Å; A315-S317 PolarHBondContact O-N 2.88Å; S317-M319 VanDerWaalsContact C-N 3.33Å; S317-L450 VanDerWaalsContact OG-CD2 3.25Å; S317-L450 WeakPolarHBondContact OG-CD2 3.38Å |
| 318 | Y | 96.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.4 | 176.9 | -63.4 | -75.6 | 0 | 0 | 0 | 113.9 | V291 L306 V314 A315 A316 C320 L324 L450 | V291-Y318 HydrophobicContact CG1-CD1 3.93Å; V291-Y318 HydrophobicContact CG1-CE1 3.55Å; L306-Y318 VanDerWaalsContact C-CD2 3.42Å; L306-Y318 HydrophobicContact CB-CD2 4.42Å; L306-Y318 HydrophobicContact CB-CG 4.22Å; L306-Y318 HydrophobicContact CD2-CD1 3.49Å; L306-Y318 VanDerWaalsContact CD2-CD1 3.49Å; L306-Y318 HydrophobicContact CD2-CE1 3.57Å; L306-Y318 HydrophobicContact CD2-CG 4Å; L306-Y318 WeakPolarHBondContact O-CD2 3.31Å; V314-Y318 HydrophobicContact CG1-CD2 4.44Å; V314-Y318 HydrophobicContact CG1-CE2 3.72Å; V314-Y318 WeakPolarHBondContact O-CD2 3.42Å; A315-Y318 PolarHBondContact O-N 2.83Å; A316-Y318 VanDerWaalsContact C-N 3.26Å; A316-Y318 PolarHBondContact O-N 3.03Å; Y318-C320 PolarHBondContact O-N 2.8Å; Y318-C320 VanDerWaalsContact O-N 3.16Å; Y318-L324 HydrophobicContact CD1-CD1 4.14Å; Y318-L450 HydrophobicContact CD1-CD1 3.7Å; Y318-L450 HydrophobicContact CD1-CD2 4.17Å; Y318-L450 HydrophobicContact CD1-CG 4.45Å; Y318-L450 HydrophobicContact CE1-CB 4.29Å; Y318-L450 HydrophobicContact CE1-CD1 3.95Å; Y318-L450 HydrophobicContact CE1-CD2 3.85Å; Y318-L450 HydrophobicContact CE1-CG 4.25Å; Y318-L450 HydrophobicContact CG-CD1 4.5Å |
| 319 | M | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -67.2 | 111.5 | 176.2 | -69.6 | -70.4 | -66.4 | 0 | 0 | 110.8 | P223 N226 T307 A316 S317 R358 I369 R371 G372 | P223-M319 HydrophobicContact CB-CG 4.15Å; P223-M319 HydrophobicContact CB-SD 3.88Å; N226-M319 HydrophobicContact CB-CE 3.75Å; N226-M319 HydrophobicContact CB-SD 3.48Å; N226-M319 WeakPolarHBondContact CB-SD 3.31Å; T307-M319 HydrophobicContact CG2-SD 4.33Å; A316-M319 VanDerWaalsContact O-CB 3.3Å; A316-M319 WeakPolarHBondContact O-CB 3.36Å; A316-M319 WeakPolarHBondContact O-CG 3.42Å; A316-M319 PolarHBondContact O-N 3.43Å; S317-M319 VanDerWaalsContact C-N 3.33Å; M319-R358 PolarHBondContact O-NH1 3.08Å; M319-I369 HydrophobicContact CB-CG2 3.92Å; M319-I369 HydrophobicContact CE-CB 4.08Å; M319-I369 HydrophobicContact CG-CB 4.11Å; M319-I369 HydrophobicContact CG-CD1 4.13Å; M319-I369 HydrophobicContact CG-CG2 3.68Å; M319-I369 HydrophobicContact SD-CD1 4.49Å; M319-R371 HydrophobicContact CE-CG 4.42Å; M319-R371 CarbonylContact O-C 3.49Å; M319-R371 WeakPolarHBondContact O-CA 3.29Å; M319-G372 PolarHBondContact O-N 3.39Å | ||
| 320 | C | 95.5 | Very high | 95 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -144.6 | 169.9 | 174.7 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | N226 Y318 P322 I373 | N226-C320 PolarHBondContact ND2-O 3.33Å; Y318-C320 PolarHBondContact O-N 2.8Å; Y318-C320 VanDerWaalsContact O-N 3.16Å; C320-P322 CarbonylContact C-O 3.43Å; C320-P322 CarbonylContact O-C 3.38Å; C320-P322 PolarHBondContact SG-O 2.83Å; C320-I373 HydrophobicContact CB-CD1 3.78Å; C320-I373 HydrophobicContact CB-CG1 3.96Å | ||
| 321 | D | 93.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -132.2 | 115.7 | 178.5 | -169.2 | 27.3 | 0 | 0 | 0 | 110.5 | R161 R259 R371 | R161-D321 IonicContact CZ-OD2 2.76Å; R161-D321 IonicContact NH1-OD2 2.67Å; R161-D321 PolarHBondContact NH1-OD2 3.4Å; R161-D321 IonicContact NH2-OD2 2.81Å; R161-D321 PolarHBondContact NH2-OD2 3.07Å; R259-D321 PolarHBondContact NH1-O 3.23Å; R259-D321 VanDerWaalsContact NH1-O 3.1Å; D321-R371 HydrophobicContact CB-CB 4.36Å |
| 322 | P | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | cis | -67.9 | 162.6 | -1.1 | -17.5 | 33.2 | 0 | 0 | 0 | 113.3 | A200 A201 E235 R259 Y261 C320 | A200-P322 WeakPolarHBondContact O-CG 3.38Å; A201-P322 HydrophobicContact CB-CG 4.28Å; E235-P322 HydrophobicContact CG-CB 4.16Å; E235-P322 HydrophobicContact CG-CG 4.48Å; E235-P322 WeakPolarHBondContact OE1-CB 3.23Å; R259-P322 HydrophobicContact CB-CG 4.21Å; Y261-P322 HydrophobicContact CD2-CB 4.2Å; Y261-P322 VanDerWaalsContact CD2-O 3.27Å; Y261-P322 WeakPolarHBondContact CD2-O 3.48Å; Y261-P322 VanDerWaalsContact CE2-O 3.29Å; Y261-P322 WeakPolarHBondContact CE2-O 3.33Å; Y261-P322 HydrophobicContact CG-CB 4.36Å; C320-P322 CarbonylContact C-O 3.43Å; C320-P322 CarbonylContact O-C 3.38Å; C320-P322 PolarHBondContact SG-O 2.83Å |
| 323 | P | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 142.9 | 178.4 | -21.9 | 32.8 | 0 | 0 | 0 | 113.1 | N226 L227 | N226-P323 VanDerWaalsContact O-CG 3.27Å; N226-P323 WeakPolarHBondContact O-CG 3.39Å; L227-P323 HydrophobicContact CD2-CB 3.72Å |
| 324 | L | 96.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 139.2 | 166.7 | -65.9 | -178.2 | 0 | 0 | 0 | 110.4 | Y261 P287 V291 L306 Y318 I373 | Y261-L324 HydrophobicContact CD2-CD2 4.19Å; Y261-L324 HydrophobicContact CE2-CD2 3.92Å; P287-L324 HydrophobicContact CB-CD2 3.79Å; V291-L324 HydrophobicContact CB-CD1 3.9Å; V291-L324 HydrophobicContact CG1-CD1 3.68Å; V291-L324 HydrophobicContact CG2-CD1 4.25Å; L306-L324 HydrophobicContact CD1-CB 4.25Å; Y318-L324 HydrophobicContact CD1-CD1 4.14Å; L324-I373 HydrophobicContact CD1-CD1 3.67Å; L324-I373 HydrophobicContact CD2-CD1 4.33Å; L324-I373 HydrophobicContact CG-CD1 4.04Å |
| 325 | R | 93.5 | Very high | 95.9 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 129.8 | 175.5 | -52.7 | -58.5 | 171 | 178.4 | -3.3 | 108.8 | S230 E232 E235 P292 D327 L330 | S230-R325 PolarHBondContact O-NH2 2.62Å; E232-R325 IonicContact OE1-NE 3.42Å; E235-R325 IonicContact OE1-CZ 3.87Å; E235-R325 IonicContact OE1-NE 3.69Å; E235-R325 IonicContact OE1-NH2 3.66Å; E235-R325 PolarHBondContact OE1-NH2 3.27Å; P292-R325 WeakPolarHBondContact CG-O 3.32Å; R325-D327 PolarHBondContact O-N 3.23Å; R325-L330 HydrophobicContact CB-CD2 3.72Å; R325-L330 HydrophobicContact CG-CD2 3.87Å |
| 326 | P | 89.3 | Confident | 96 | Very high | 67 Ų | 67 | 26.9 Ų | 26.9 | 44% | 0.435 | 14% | 0.135 | S | C | . | . | trans | -70.1 | -14.4 | 179.4 | 27.1 | -33.2 | 0 | 0 | 0 | 113.1 | L306 T328 | L306-P326 HydrophobicContact CD1-CB 3.78Å; L306-P326 HydrophobicContact CD1-CG 4.48Å; P326-T328 PolarHBondContact O-N 2.81Å | ||
| 327 | D | 91.4 | Very high | 96 | Very high | 70 Ų | 70 | 28 Ų | 28 | 37% | 0.374 | 14% | 0.14 | S | C | . | . | trans | -64.1 | 105.5 | 178.9 | 179.9 | 12.7 | 0 | 0 | 0 | 111.2 | R325 Y329 L330 S331 | R325-D327 PolarHBondContact O-N 3.23Å; D327-Y329 VanDerWaalsContact C-N 3.29Å; D327-Y329 PolarHBondContact O-N 2.75Å; D327-Y329 VanDerWaalsContact OD1-CB 3.27Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.26Å; D327-Y329 PolarHBondContact OD1-N 2.79Å; D327-L330 HydrophobicContact CB-CB 4.14Å; D327-L330 WeakPolarHBondContact O-CB 3.42Å; D327-L330 PolarHBondContact O-N 2.86Å; D327-S331 PolarHBondContact O-N 2.94Å | ||
| 328 | T | 93.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 17% | 0.172 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.7 | -24.9 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | P292 M296 P326 L330 S331 Q332 | P292-T328 HydrophobicContact CB-CG2 4.21Å; P292-T328 WeakPolarHBondContact O-CG2 3.46Å; M296-T328 HydrophobicContact CE-CG2 4.03Å; M296-T328 WeakPolarHBondContact CE-OG1 3.3Å; M296-T328 HydrophobicContact CG-CG2 3.75Å; M296-T328 HydrophobicContact SD-CG2 3.69Å; M296-T328 PolarHBondContact SD-OG1 3.47Å; M296-T328 VanDerWaalsContact SD-OG1 3.41Å; P326-T328 PolarHBondContact O-N 2.81Å; T328-L330 VanDerWaalsContact C-N 3.28Å; T328-S331 WeakPolarHBondContact O-CB 3.19Å; T328-S331 PolarHBondContact O-N 2.92Å; T328-Q332 WeakPolarHBondContact O-CG 3.36Å; T328-Q332 PolarHBondContact O-N 2.82Å; T328-Q332 VanDerWaalsContact O-N 3.07Å |
| 329 | Y | 94.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 30 Ų | 30 | 55% | 0.553 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -66.3 | -35.4 | 174.3 | 175.4 | -108.2 | 0 | 0 | 0 | 110.8 | D327 Q332 R333 | D327-Y329 VanDerWaalsContact C-N 3.29Å; D327-Y329 PolarHBondContact O-N 2.75Å; D327-Y329 VanDerWaalsContact OD1-CB 3.27Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.26Å; D327-Y329 PolarHBondContact OD1-N 2.79Å; Y329-Q332 WeakPolarHBondContact O-CB 3.47Å; Y329-Q332 PolarHBondContact O-N 2.85Å; Y329-R333 HydrophobicContact CD1-CG 4.35Å; Y329-R333 VanDerWaalsContact CE1-CD 3.49Å; Y329-R333 HydrophobicContact CE1-CG 3.97Å; Y329-R333 HydrophobicContact CE2-CG 4.43Å; Y329-R333 WeakPolarHBondContact O-CG 3.18Å; Y329-R333 PolarHBondContact O-N 3.42Å |
| 330 | L | 97.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 171.4 | 170 | 59 | 0 | 0 | 0 | 111.8 | Y261 K263 L266 R325 D327 T328 Q332 R333 L334 | Y261-L330 VanDerWaalsContact O-CD2 3.27Å; Y261-L330 WeakPolarHBondContact O-CD2 3.19Å; K263-L330 HydrophobicContact CB-CD1 4.41Å; L266-L330 HydrophobicContact CD2-CD1 4.12Å; R325-L330 HydrophobicContact CB-CD2 3.72Å; R325-L330 HydrophobicContact CG-CD2 3.87Å; D327-L330 HydrophobicContact CB-CB 4.14Å; D327-L330 WeakPolarHBondContact O-CB 3.42Å; D327-L330 PolarHBondContact O-N 2.86Å; T328-L330 VanDerWaalsContact C-N 3.28Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.47Å; L330-R333 WeakPolarHBondContact O-CB 3.48Å; L330-R333 PolarHBondContact O-N 2.97Å; L330-R333 VanDerWaalsContact O-N 3.11Å; L330-L334 HydrophobicContact CD1-CG 4.46Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 2.98Å |
| 331 | S | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 173.7 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | A288 I289 P292 D327 T328 R333 L334 L335 | A288-S331 PolarHBondContact O-OG 3.4Å; I289-S331 PolarHBondContact O-OG 3.21Å; P292-S331 WeakPolarHBondContact CB-OG 3.22Å; D327-S331 PolarHBondContact O-N 2.94Å; T328-S331 WeakPolarHBondContact O-CB 3.19Å; T328-S331 PolarHBondContact O-N 2.92Å; S331-R333 VanDerWaalsContact C-N 3.34Å; S331-L334 PolarHBondContact O-N 2.79Å; S331-L335 PolarHBondContact O-N 3.22Å; S331-L335 VanDerWaalsContact O-N 3.12Å |
| 332 | Q | 97.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 172.7 | -67.4 | 176.8 | -24.3 | 0 | 0 | 111.9 | L293 T328 Y329 L330 L335 T336 F392 | L293-Q332 HydrophobicContact CD2-CG 4.2Å; T328-Q332 WeakPolarHBondContact O-CG 3.36Å; T328-Q332 PolarHBondContact O-N 2.82Å; T328-Q332 VanDerWaalsContact O-N 3.07Å; Y329-Q332 WeakPolarHBondContact O-CB 3.47Å; Y329-Q332 PolarHBondContact O-N 2.85Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.47Å; Q332-L335 WeakPolarHBondContact O-CB 3.34Å; Q332-L335 PolarHBondContact O-N 2.73Å; Q332-T336 PolarHBondContact O-N 3.01Å; Q332-T336 PolarHBondContact O-OG1 2.82Å; Q332-T336 VanDerWaalsContact O-OG1 3.06Å; Q332-F392 HydrophobicContact CB-CE1 4.03Å; Q332-F392 HydrophobicContact CB-CZ 3.74Å; Q332-F392 HydrophobicContact CG-CE1 4.41Å; Q332-F392 HydrophobicContact CG-CE2 4.24Å; Q332-F392 HydrophobicContact CG-CZ 3.63Å |
| 333 | R | 98.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.4 | -74.1 | -173.6 | 63.6 | -153.5 | -3 | 112.3 | L266 N267 Y329 L330 S331 L335 T336 H337 | L266-R333 HydrophobicContact CD2-CB 4.1Å; N267-R333 PolarHBondContact OD1-NH1 3.31Å; N267-R333 PolarHBondContact OD1-NH2 3.05Å; Y329-R333 HydrophobicContact CD1-CG 4.35Å; Y329-R333 VanDerWaalsContact CE1-CD 3.49Å; Y329-R333 HydrophobicContact CE1-CG 3.97Å; Y329-R333 HydrophobicContact CE2-CG 4.43Å; Y329-R333 WeakPolarHBondContact O-CG 3.18Å; Y329-R333 PolarHBondContact O-N 3.42Å; L330-R333 WeakPolarHBondContact O-CB 3.48Å; L330-R333 PolarHBondContact O-N 2.97Å; L330-R333 VanDerWaalsContact O-N 3.11Å; S331-R333 VanDerWaalsContact C-N 3.34Å; R333-L335 VanDerWaalsContact C-N 3.29Å; R333-L335 PolarHBondContact O-N 2.77Å; R333-T336 WeakPolarHBondContact O-CB 3.42Å; R333-T336 PolarHBondContact O-N 3.12Å; R333-H337 PolarHBondContact O-CD2 3.03Å; R333-H337 PolarHBondContact O-N 2.83Å |
| 334 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 174.2 | -68.5 | 172.9 | 0 | 0 | 0 | 110.5 | I260 L266 A288 I289 L330 S331 H337 L338 L343 | I260-L334 HydrophobicContact CG2-CD2 4.45Å; I260-L334 WeakPolarHBondContact O-CD2 3.17Å; L266-L334 HydrophobicContact CD1-CD2 4.22Å; L266-L334 HydrophobicContact CD2-CD2 4.08Å; A288-L334 HydrophobicContact CB-CD1 3.9Å; I289-L334 HydrophobicContact CD1-CB 4.4Å; I289-L334 HydrophobicContact CG1-CB 4.04Å; I289-L334 HydrophobicContact CG1-CD1 4.2Å; L330-L334 HydrophobicContact CD1-CG 4.46Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 2.98Å; S331-L334 PolarHBondContact O-N 2.79Å; L334-H337 PolarHBondContact O-N 3.48Å; L334-L338 WeakPolarHBondContact O-CG 3Å; L334-L338 PolarHBondContact O-N 2.98Å; L334-L343 HydrophobicContact CD2-CD1 3.79Å |
| 335 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 172.4 | -71.1 | 166.3 | 0 | 0 | 0 | 112.3 | I289 L293 S331 Q332 R333 H337 L338 V339 L383 F386 F392 L393 | I289-L335 HydrophobicContact CD1-CD2 4.19Å; I289-L335 HydrophobicContact CD1-CG 4.45Å; I289-L335 HydrophobicContact CG2-CD1 4.01Å; I289-L335 HydrophobicContact CG2-CD2 3.99Å; I289-L335 HydrophobicContact CG2-CG 3.91Å; L293-L335 HydrophobicContact CD1-CD1 3.98Å; S331-L335 PolarHBondContact O-N 3.22Å; S331-L335 VanDerWaalsContact O-N 3.12Å; Q332-L335 WeakPolarHBondContact O-CB 3.34Å; Q332-L335 PolarHBondContact O-N 2.73Å; R333-L335 VanDerWaalsContact C-N 3.29Å; R333-L335 PolarHBondContact O-N 2.77Å; L335-H337 VanDerWaalsContact C-N 3.27Å; L335-H337 PolarHBondContact O-N 2.95Å; L335-L338 HydrophobicContact CD2-CD1 4.32Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.44Å; L335-L338 VanDerWaalsContact O-N 3.11Å; L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 3.05Å; L335-L383 HydrophobicContact CD2-CD1 4.03Å; L335-F386 VanDerWaalsContact CD1-O 3.29Å; L335-F386 WeakPolarHBondContact CD1-O 3.49Å; L335-F392 HydrophobicContact CB-CB 4.09Å; L335-F392 HydrophobicContact CB-CD1 3.7Å; L335-F392 HydrophobicContact CB-CE1 4.32Å; L335-F392 HydrophobicContact CB-CG 3.92Å; L335-F392 HydrophobicContact CD1-CB 4.28Å; L335-F392 HydrophobicContact CD1-CD1 4.3Å; L335-F392 HydrophobicContact CD1-CD2 3.87Å; L335-F392 HydrophobicContact CD1-CE2 4.28Å; L335-F392 HydrophobicContact CD1-CG 3.89Å; L335-F392 HydrophobicContact CG-CG 4.48Å; L335-L393 HydrophobicContact CD2-CD1 4.44Å |
| 336 | T | 98.5 | Very high | 97 | Very high | 69 Ų | 69 | 35.3 Ų | 35.3 | 42% | 0.423 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | Q332 R333 L338 V339 S340 | Q332-T336 PolarHBondContact O-N 3.01Å; Q332-T336 PolarHBondContact O-OG1 2.82Å; Q332-T336 VanDerWaalsContact O-OG1 3.06Å; R333-T336 WeakPolarHBondContact O-CB 3.42Å; R333-T336 PolarHBondContact O-N 3.12Å; T336-L338 VanDerWaalsContact C-N 3.33Å; T336-V339 WeakPolarHBondContact O-CB 3.42Å; T336-V339 PolarHBondContact O-N 3.11Å; T336-S340 PolarHBondContact O-N 2.98Å; T336-S340 PolarHBondContact O-OG 2.88Å |
| 337 | H | 98.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 12% | 0.116 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.7 | -18.8 | 178.9 | -77.4 | -66.9 | 0 | 0 | 0 | 113.8 | L266 I270 R333 L334 L335 S340 E341 D342 L343 | L266-H337 HydrophobicContact CD1-CB 4.33Å; I270-H337 WeakPolarHBondContact CD1-CE1 3.43Å; I270-H337 VanDerWaalsContact CD1-NE2 3.31Å; I270-H337 WeakPolarHBondContact CD1-NE2 3.35Å; R333-H337 PolarHBondContact O-CD2 3.03Å; R333-H337 PolarHBondContact O-N 2.83Å; L334-H337 PolarHBondContact O-N 3.48Å; L335-H337 VanDerWaalsContact C-N 3.27Å; L335-H337 PolarHBondContact O-N 2.95Å; H337-S340 WeakPolarHBondContact CA-OG 3.39Å; H337-E341 PolarHBondContact O-N 2.95Å; H337-D342 HydrophobicContact CB-CB 4.06Å; H337-D342 IonicContact CE1-OD2 3.92Å; H337-D342 PolarHBondContact CE1-OD2 3.25Å; H337-D342 IonicContact CG-OD2 3.3Å; H337-D342 IonicContact ND1-OD2 2.66Å; H337-D342 PolarHBondContact ND1-OD2 2.87Å; H337-D342 PolarHBondContact O-N 2.83Å; H337-L343 HydrophobicContact CB-CD1 4.05Å; H337-L343 HydrophobicContact CB-CG 4Å; H337-L343 PolarHBondContact O-N 3.38Å |
| 338 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -49.9 | 163.5 | -69.3 | 167.1 | 0 | 0 | 0 | 109.8 | I289 L334 L335 T336 S340 E341 L343 V346 L383 L393 M397 V401 | I289-L338 HydrophobicContact CD1-CD1 3.92Å; L334-L338 WeakPolarHBondContact O-CG 3Å; L334-L338 PolarHBondContact O-N 2.98Å; L335-L338 HydrophobicContact CD2-CD1 4.32Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.44Å; L335-L338 VanDerWaalsContact O-N 3.11Å; T336-L338 VanDerWaalsContact C-N 3.33Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 2.92Å; L338-E341 WeakPolarHBondContact O-CA 3.2Å; L338-E341 PolarHBondContact O-N 3.22Å; L338-L343 HydrophobicContact CD2-CB 3.7Å; L338-L343 HydrophobicContact CG-CB 4.21Å; L338-V346 HydrophobicContact CD1-CG2 3.45Å; L338-V346 VanDerWaalsContact CD1-CG2 3.45Å; L338-V346 HydrophobicContact CD2-CG2 3.61Å; L338-V346 HydrophobicContact CG-CG2 4.21Å; L338-L383 HydrophobicContact CD1-CD1 4.42Å; L338-L393 HydrophobicContact CB-CD2 4.35Å; L338-M397 WeakPolarHBondContact O-CE 3.46Å; L338-V401 HydrophobicContact CB-CG1 4.28Å; L338-V401 HydrophobicContact CD2-CB 4.18Å; L338-V401 HydrophobicContact CD2-CG1 3.95Å |
| 339 | V | 98 | Very high | 97.9 | Very high | 67 Ų | 67 | 27.8 Ų | 27.8 | 41% | 0.406 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 179.9 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | L335 T336 E341 F392 L393 | L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 3.05Å; T336-V339 WeakPolarHBondContact O-CB 3.42Å; T336-V339 PolarHBondContact O-N 3.11Å; V339-E341 PolarHBondContact O-N 2.99Å; V339-F392 WeakPolarHBondContact CG2-O 3.28Å; V339-L393 HydrophobicContact CG2-CD2 3.58Å |
| 340 | S | 96.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 21.1 Ų | 21.1 | 43% | 0.434 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 0.7 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | T336 H337 L338 D342 | T336-S340 PolarHBondContact O-N 2.98Å; T336-S340 PolarHBondContact O-OG 2.88Å; H337-S340 WeakPolarHBondContact CA-OG 3.39Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 2.92Å; S340-D342 PolarHBondContact O-N 3.34Å; S340-D342 VanDerWaalsContact O-N 3.16Å; S340-D342 PolarHBondContact OG-OD2 2.9Å |
| 341 | E | 96.8 | Very high | 98 | Very high | 70 Ų | 70 | 22.6 Ų | 22.6 | 33% | 0.327 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18.3 | -179.7 | -59.2 | -177.1 | -129.3 | 0 | 0 | 115.2 | R273 H337 L338 V339 M397 K400 | R273-E341 PolarHBondContact NH2-O 3.38Å; H337-E341 PolarHBondContact O-N 2.95Å; L338-E341 WeakPolarHBondContact O-CA 3.2Å; L338-E341 PolarHBondContact O-N 3.22Å; V339-E341 PolarHBondContact O-N 2.99Å; E341-M397 HydrophobicContact CG-CE 3.91Å; E341-K400 VanDerWaalsContact CD-CE 3.48Å; E341-K400 IonicContact OE1-NZ 2.72Å; E341-K400 PolarHBondContact OE1-NZ 3.49Å; E341-K400 WeakPolarHBondContact OE2-CE 3.42Å; E341-K400 IonicContact OE2-NZ 3.97Å; E341-K400 PolarHBondContact OE2-NZ 3.37Å |
| 342 | D | 97.3 | Very high | 98 | Very high | 32 Ų | 32 | 22.6 Ų | 22.6 | 17% | 0.171 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -65 | -46.1 | 167.5 | -67.6 | -53.8 | 0 | 0 | 0 | 109.3 | F269 R273 H337 S340 | F269-D342 WeakPolarHBondContact CE1-O 3Å; R273-D342 VanDerWaalsContact CZ-O 3.29Å; R273-D342 PolarHBondContact NH1-O 3.28Å; H337-D342 HydrophobicContact CB-CB 4.06Å; H337-D342 IonicContact CE1-OD2 3.92Å; H337-D342 PolarHBondContact CE1-OD2 3.25Å; H337-D342 IonicContact CG-OD2 3.3Å; H337-D342 IonicContact ND1-OD2 2.66Å; H337-D342 PolarHBondContact ND1-OD2 2.87Å; H337-D342 PolarHBondContact O-N 2.83Å; S340-D342 PolarHBondContact O-N 3.34Å; S340-D342 VanDerWaalsContact O-N 3.16Å; S340-D342 PolarHBondContact OG-OD2 2.9Å |
| 343 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -93.9 | 130 | 165.9 | -60.6 | 176.8 | 0 | 0 | 0 | 108.4 | I260 L266 F269 G282 T284 L334 H337 L338 | I260-L343 HydrophobicContact CB-CD2 4.49Å; I260-L343 HydrophobicContact CD1-CD2 3.52Å; L266-L343 HydrophobicContact CD1-CD1 4.3Å; F269-L343 HydrophobicContact CD1-CD2 4.13Å; F269-L343 HydrophobicContact CE1-CD2 3.96Å; G282-L343 CarbonylContact O-C 3.33Å; G282-L343 WeakPolarHBondContact O-CA 3.36Å; T284-L343 HydrophobicContact CG2-CD1 3.98Å; L334-L343 HydrophobicContact CD2-CD1 3.79Å; H337-L343 HydrophobicContact CB-CD1 4.05Å; H337-L343 HydrophobicContact CB-CG 4Å; H337-L343 PolarHBondContact O-N 3.38Å; L338-L343 HydrophobicContact CD2-CB 3.7Å; L338-L343 HydrophobicContact CG-CB 4.21Å |
| 344 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -101.6 | -20.7 | -170.7 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | F281 G282 N405 L409 | F281-V344 HydrophobicContact CB-CG2 4.08Å; F281-V344 HydrophobicContact CD1-CG2 4.3Å; G282-V344 WeakPolarHBondContact O-CG2 3.48Å; G282-V344 PolarHBondContact O-N 2.89Å; V344-N405 HydrophobicContact CB-CB 4.45Å; V344-N405 WeakPolarHBondContact O-CB 3.25Å; V344-N405 PolarHBondContact O-ND2 3.49Å; V344-L409 HydrophobicContact CG2-CD1 4.06Å | ||
| 345 | C | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 163 | 177.7 | 60 | 0 | 0 | 0 | 0 | 113.9 | Q283 T284 V401 P406 | Q283-C345 WeakPolarHBondContact CA-O 3.31Å; T284-C345 PolarHBondContact N-O 2.87Å; C345-V401 WeakPolarHBondContact CA-O 3.36Å; C345-V401 WeakPolarHBondContact CB-O 3.25Å; C345-P406 HydrophobicContact CB-CG 3.7Å |
| 346 | V | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.1 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | T284 I286 L338 R379 L383 V401 | T284-V346 HydrophobicContact CG2-CG2 4.41Å; T284-V346 WeakPolarHBondContact O-CA 3.33Å; I286-V346 HydrophobicContact CB-CG1 4.3Å; L338-V346 HydrophobicContact CD1-CG2 3.45Å; L338-V346 VanDerWaalsContact CD1-CG2 3.45Å; L338-V346 HydrophobicContact CD2-CG2 3.61Å; L338-V346 HydrophobicContact CG-CG2 4.21Å; V346-R379 PolarHBondContact O-NH1 3.25Å; V346-L383 HydrophobicContact CB-CD2 4.13Å; V346-L383 HydrophobicContact CG1-CD2 4.44Å; V346-L383 HydrophobicContact CG2-CD1 4.33Å; V346-L383 HydrophobicContact CG2-CD2 3.92Å; V346-V401 HydrophobicContact CG2-CB 4.46Å; V346-V401 HydrophobicContact CG2-CG2 4.21Å; V346-V401 PolarHBondContact N-O 2.78Å |
| 347 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 172.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D65 T284 S285 I286 R379 | D65-G347 VanDerWaalsContact OD1-CA 3.24Å; D65-G347 WeakPolarHBondContact OD1-CA 3.35Å; T284-G347 PolarHBondContact O-N 2.68Å; S285-G347 CarbonylContact C-O 3.54Å; S285-G347 WeakPolarHBondContact CA-O 3.36Å; S285-G347 WeakPolarHBondContact CB-O 3.36Å; I286-G347 PolarHBondContact N-O 3.48Å; G347-R379 VanDerWaalsContact C-CD 3.5Å |
| 348 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -84.4 | -35.5 | 166.5 | 64 | 0 | 0 | 0 | 0 | 112 | D65 D67 P287 H350 S375 | D65-S348 PolarHBondContact OD1-N 3.19Å; D65-S348 WeakPolarHBondContact OD2-CB 3.5Å; D65-S348 PolarHBondContact OD2-N 3.42Å; D65-S348 VanDerWaalsContact OD2-N 3.12Å; D65-S348 PolarHBondContact OD2-OG 2.81Å; D67-S348 PolarHBondContact O-OG 2.76Å; D67-S348 VanDerWaalsContact O-OG 3.06Å; P287-S348 VanDerWaalsContact CD-O 3.26Å; P287-S348 WeakPolarHBondContact CD-O 3.38Å; S348-H350 PolarHBondContact O-N 3.06Å; S348-H350 WeakPolarHBondContact OG-CB 3.33Å; S348-H350 PolarHBondContact OG-N 2.97Å; S348-S375 VanDerWaalsContact C-OG 3.3Å; S348-S375 WeakPolarHBondContact CB-OG 3.26Å; S348-S375 PolarHBondContact O-OG 3.4Å | ||
| 349 | G | 96.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 8% | 0.082 | 14% | 0.142 | C | C | . | . | trans | 60.9 | 24.9 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D67 R351 | D67-G349 WeakPolarHBondContact O-CA 3.49Å; D67-G349 PolarHBondContact O-N 2.85Å; D67-G349 WeakPolarHBondContact OD2-CA 3.4Å; G349-R351 PolarHBondContact O-N 2.78Å | ||
| 350 | H | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 130.2 | -167.2 | 172.3 | 97.7 | 0 | 0 | 0 | 111.7 | C68 H69 D81 S348 I373 A374 S375 L376 | C68-H350 HydrophobicContact CB-CB 4.18Å; H69-H350 PolarHBondContact N-O 3.24Å; D81-H350 IonicContact OD2-CE1 3.47Å; D81-H350 PolarHBondContact OD2-CE1 3.42Å; D81-H350 IonicContact OD2-NE2 2.86Å; D81-H350 PolarHBondContact OD2-NE2 2.9Å; S348-H350 PolarHBondContact O-N 3.06Å; S348-H350 WeakPolarHBondContact OG-CB 3.33Å; S348-H350 PolarHBondContact OG-N 2.97Å; H350-I373 CarbonylContact C-O 3.33Å; H350-I373 VanDerWaalsContact CA-O 3.31Å; H350-I373 WeakPolarHBondContact CA-O 3.31Å; H350-A374 WeakPolarHBondContact ND1-CA 3.5Å; H350-S375 PolarHBondContact ND1-N 3.3Å; H350-S375 VanDerWaalsContact ND1-N 3.16Å; H350-L376 HydrophobicContact CB-CB 3.73Å; H350-L376 WeakPolarHBondContact ND1-CB 3.04Å; H350-L376 PolarHBondContact ND1-N 3.45Å |
| 351 | R | 96.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | trans | -152.8 | 107 | 165.2 | -176.9 | 176.9 | 179.1 | -120.6 | -1.1 | 108.2 | H69 D77 P78 G349 I353 R371 G372 I373 | H69-R351 HydrophobicContact CB-CB 4.25Å; H69-R351 HydrophobicContact CB-CG 4.41Å; D77-R351 IonicContact OD1-CZ 3.19Å; D77-R351 VanDerWaalsContact OD1-CZ 3.3Å; D77-R351 IonicContact OD1-NE 3.19Å; D77-R351 PolarHBondContact OD1-NE 2.97Å; D77-R351 IonicContact OD1-NH2 3.37Å; D77-R351 PolarHBondContact OD1-NH2 3.2Å; P78-R351 PolarHBondContact O-NH2 3.07Å; G349-R351 PolarHBondContact O-N 2.78Å; R351-I353 HydrophobicContact CG-CD1 4.29Å; R351-I353 HydrophobicContact CG-CG1 4.18Å; R351-R371 WeakPolarHBondContact CD-O 3.43Å; R351-R371 PolarHBondContact NH1-O 3.27Å; R351-G372 CarbonylContact O-C 3.51Å; R351-I373 PolarHBondContact N-O 3.43Å; R351-I373 CarbonylContact O-C 3.58Å; R351-I373 PolarHBondContact O-N 2.92Å; R351-I373 VanDerWaalsContact O-N 3.16Å | ||
| 352 | A | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -80.2 | 128.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I79 A80 D81 A374 V447 | I79-A352 WeakPolarHBondContact CA-O 3.28Å; A80-A352 HydrophobicContact CB-CB 4.12Å; A80-A352 PolarHBondContact N-O 3.49Å; D81-A352 HydrophobicContact CB-CB 4.21Å; D81-A352 WeakPolarHBondContact OD2-CB 3.47Å; A352-A374 HydrophobicContact CB-CB 3.92Å; A352-V447 HydrophobicContact CB-CG1 4.09Å; A352-V447 HydrophobicContact CB-CG2 4.32Å | ||
| 353 | I | 96.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | trans | -141.8 | 128.2 | -179.6 | -49.2 | 175.5 | 0 | 0 | 0 | 107.4 | R351 V357 R358 P370 | R351-I353 HydrophobicContact CG-CD1 4.29Å; R351-I353 HydrophobicContact CG-CG1 4.18Å; I353-V357 HydrophobicContact CG2-CB 4.13Å; I353-V357 HydrophobicContact CG2-CG1 3.86Å; I353-R358 HydrophobicContact CG2-CG 4.02Å; I353-P370 HydrophobicContact CD1-CB 3.8Å; I353-P370 HydrophobicContact CG2-CB 4.29Å | ||
| 354 | T | 96.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | trans | -70.6 | 154.2 | 179.7 | 62 | 0 | 0 | 0 | 0 | 112 | A80 A356 V357 R358 D446 V447 | A80-T354 HydrophobicContact CB-CG2 3.71Å; T354-A356 VanDerWaalsContact C-N 3.28Å; T354-A356 PolarHBondContact O-N 2.8Å; T354-V357 PolarHBondContact O-N 3.24Å; T354-V357 WeakPolarHBondContact OG1-CB 3.38Å; T354-V357 VanDerWaalsContact OG1-CG2 3.26Å; T354-V357 WeakPolarHBondContact OG1-CG2 3.25Å; T354-V357 PolarHBondContact OG1-N 3.16Å; T354-R358 WeakPolarHBondContact O-CG 3.14Å; T354-R358 PolarHBondContact O-N 3.41Å; T354-R358 VanDerWaalsContact O-N 3.13Å; T354-D446 WeakPolarHBondContact CA-O 3.08Å; T354-D446 WeakPolarHBondContact CB-OD2 3.27Å; T354-D446 HydrophobicContact CG2-CB 4.34Å; T354-V447 HydrophobicContact CG2-CG2 3.93Å | ||
| 355 | T | 97.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 20% | 0.202 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.3 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | A313 V357 R358 A359 D446 | A313-T355 HydrophobicContact CB-CG2 3.86Å; T355-V357 PolarHBondContact O-N 3.36Å; T355-R358 WeakPolarHBondContact O-CB 3.16Å; T355-R358 PolarHBondContact O-N 3.39Å; T355-A359 WeakPolarHBondContact O-CB 3.33Å; T355-A359 PolarHBondContact O-N 2.84Å; T355-D446 VanDerWaalsContact CB-OD1 3.28Å; T355-D446 WeakPolarHBondContact CB-OD1 3.48Å; T355-D446 PolarHBondContact N-O 3.27Å; T355-D446 PolarHBondContact N-OD2 3.48Å; T355-D446 VanDerWaalsContact N-OD2 3.17Å; T355-D446 PolarHBondContact OG1-O 3.25Å; T355-D446 VanDerWaalsContact OG1-O 3.06Å; T355-D446 PolarHBondContact OG1-OD1 3.14Å |
| 356 | A | 96.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 35 Ų | 35 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T354 A359 A360 D446 | T354-A356 VanDerWaalsContact C-N 3.28Å; T354-A356 PolarHBondContact O-N 2.8Å; A356-A359 PolarHBondContact O-N 3.45Å; A356-A360 WeakPolarHBondContact O-CB 3.44Å; A356-A360 PolarHBondContact O-N 3.35Å; A356-D446 VanDerWaalsContact CB-OD2 3.29Å; A356-D446 WeakPolarHBondContact CB-OD2 3.48Å; A356-D446 PolarHBondContact N-OD2 2.96Å |
| 357 | V | 96 | Very high | 96 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.5 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | P78 I353 T354 T355 A359 A360 F361 P370 | P78-V357 HydrophobicContact CB-CG1 3.67Å; P78-V357 HydrophobicContact CG-CG1 3.86Å; I353-V357 HydrophobicContact CG2-CB 4.13Å; I353-V357 HydrophobicContact CG2-CG1 3.86Å; T354-V357 PolarHBondContact O-N 3.24Å; T354-V357 WeakPolarHBondContact OG1-CB 3.38Å; T354-V357 VanDerWaalsContact OG1-CG2 3.26Å; T354-V357 WeakPolarHBondContact OG1-CG2 3.25Å; T354-V357 PolarHBondContact OG1-N 3.16Å; T355-V357 PolarHBondContact O-N 3.36Å; V357-A359 VanDerWaalsContact C-N 3.27Å; V357-A359 PolarHBondContact O-N 3.39Å; V357-A360 PolarHBondContact O-N 3.16Å; V357-A360 VanDerWaalsContact O-N 3.15Å; V357-F361 HydrophobicContact CG1-CD2 3.97Å; V357-F361 HydrophobicContact CG1-CE2 4.01Å; V357-F361 WeakPolarHBondContact O-CD2 3.47Å; V357-F361 PolarHBondContact O-N 3.05Å; V357-P370 HydrophobicContact CG1-CG 4.26Å |
| 358 | R | 96.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -45.1 | 175.5 | -66.7 | 174.4 | -171.2 | -86.7 | -5.2 | 111.4 | W312 A316 M319 I353 T354 T355 G362 I369 P370 G372 | W312-R358 HydrophobicContact CH2-CB 4.34Å; A316-R358 HydrophobicContact CB-CB 4.46Å; A316-R358 WeakPolarHBondContact O-CD 3.32Å; A316-R358 PolarHBondContact O-NH1 3.26Å; M319-R358 PolarHBondContact O-NH1 3.08Å; I353-R358 HydrophobicContact CG2-CG 4.02Å; T354-R358 WeakPolarHBondContact O-CG 3.14Å; T354-R358 PolarHBondContact O-N 3.41Å; T354-R358 VanDerWaalsContact O-N 3.13Å; T355-R358 WeakPolarHBondContact O-CB 3.16Å; T355-R358 PolarHBondContact O-N 3.39Å; R358-G362 WeakPolarHBondContact O-CA 3.39Å; R358-G362 PolarHBondContact O-N 3.17Å; R358-I369 HydrophobicContact CB-CG2 4.04Å; R358-I369 HydrophobicContact CG-CG2 4Å; R358-P370 PolarHBondContact NH1-O 2.71Å; R358-G372 PolarHBondContact NH2-O 2.86Å |
| 359 | A | 96.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W312 T355 A356 V357 F361 S363 | W312-A359 VanDerWaalsContact CH2-CA 3.48Å; W312-A359 HydrophobicContact CH2-CB 4.21Å; W312-A359 HydrophobicContact CZ3-CB 3.92Å; T355-A359 WeakPolarHBondContact O-CB 3.33Å; T355-A359 PolarHBondContact O-N 2.84Å; A356-A359 PolarHBondContact O-N 3.45Å; V357-A359 VanDerWaalsContact C-N 3.27Å; V357-A359 PolarHBondContact O-N 3.39Å; A359-F361 VanDerWaalsContact C-N 3.35Å; A359-F361 PolarHBondContact O-N 2.84Å; A359-S363 WeakPolarHBondContact O-CB 3.49Å; A359-S363 PolarHBondContact O-N 3.13Å; A359-S363 PolarHBondContact O-OG 3.3Å |
| 360 | A | 95.3 | Very high | 95.4 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 66% | 0.661 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.2 | -42.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A356 V357 | A356-A360 WeakPolarHBondContact O-CB 3.44Å; A356-A360 PolarHBondContact O-N 3.35Å; V357-A360 PolarHBondContact O-N 3.16Å; V357-A360 VanDerWaalsContact O-N 3.15Å |
| 361 | F | 93.2 | Very high | 95.2 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 45% | 0.447 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -85.2 | -36.1 | 179.3 | -75.1 | -94.1 | 0 | 0 | 0 | 112.9 | V357 A359 H368 P370 | V357-F361 HydrophobicContact CG1-CD2 3.97Å; V357-F361 HydrophobicContact CG1-CE2 4.01Å; V357-F361 WeakPolarHBondContact O-CD2 3.47Å; V357-F361 PolarHBondContact O-N 3.05Å; A359-F361 VanDerWaalsContact C-N 3.35Å; A359-F361 PolarHBondContact O-N 2.84Å; F361-H368 WeakPolarHBondContact CB-O 3.38Å; F361-H368 VanDerWaalsContact O-CB 3.32Å; F361-H368 WeakPolarHBondContact O-CB 3.37Å; F361-P370 HydrophobicContact CB-CG 4.18Å; F361-P370 HydrophobicContact CD2-CG 4.05Å; F361-P370 HydrophobicContact CG-CG 4.09Å |
| 362 | G | 94.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -113 | -13.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | W312 R358 K364 N365 A366 | W312-G362 VanDerWaalsContact CZ2-C 3.48Å; R358-G362 WeakPolarHBondContact O-CA 3.39Å; R358-G362 PolarHBondContact O-N 3.17Å; G362-K364 PolarHBondContact O-N 3.47Å; G362-N365 VanDerWaalsContact CA-O 3.31Å; G362-N365 WeakPolarHBondContact CA-O 3.42Å; G362-N365 CarbonylContact O-C 3.15Å; G362-N365 PolarHBondContact O-N 3.2Å; G362-N365 VanDerWaalsContact O-N 3.14Å; G362-A366 PolarHBondContact O-N 3.39Å |
| 363 | S | 93.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 43.5 Ų | 43.5 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -63 | -26.5 | -174.2 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | A359 | A359-S363 WeakPolarHBondContact O-CB 3.49Å; A359-S363 PolarHBondContact O-N 3.13Å; A359-S363 PolarHBondContact O-OG 3.3Å |
| 364 | K | 93.5 | Very high | 95.2 | Very high | 199 Ų | 199 | 43.6 Ų | 43.6 | 87% | 0.865 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -97.2 | -20.4 | 175.8 | -64 | -177.9 | -179.5 | 177.6 | 0 | 113.6 | G362 | G362-K364 PolarHBondContact O-N 3.47Š|
| 365 | N | 93.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | -155.2 | 107 | -179.5 | -179.8 | -14.1 | 0 | 0 | 0 | 109 | Q215 G362 V367 H368 | Q215-N365 VanDerWaalsContact OE1-CG 3.29Å; Q215-N365 PolarHBondContact OE1-ND2 3.43Å; Q215-N365 PolarHBondContact OE1-OD1 3.2Å; G362-N365 VanDerWaalsContact CA-O 3.31Å; G362-N365 WeakPolarHBondContact CA-O 3.42Å; G362-N365 CarbonylContact O-C 3.15Å; G362-N365 PolarHBondContact O-N 3.2Å; G362-N365 VanDerWaalsContact O-N 3.14Å; N365-V367 PolarHBondContact O-N 3.42Å; N365-V367 VanDerWaalsContact O-N 3.17Å; N365-V367 WeakPolarHBondContact OD1-CB 3.27Å; N365-V367 WeakPolarHBondContact OD1-CG2 3.47Å; N365-V367 PolarHBondContact OD1-N 3.33Å; N365-H368 PolarHBondContact ND2-CD2 2.77Å; N365-H368 PolarHBondContact ND2-NE2 2.66Å; N365-H368 PolarHBondContact O-N 2.97Å; N365-H368 VanDerWaalsContact O-N 3.08Å | ||
| 366 | A | 95.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -63.8 | -22.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I221 G222 V225 G362 H368 I369 | I221-A366 WeakPolarHBondContact O-CB 3.4Å; G222-A366 VanDerWaalsContact O-CB 3.24Å; G222-A366 WeakPolarHBondContact O-CB 3.46Å; V225-A366 HydrophobicContact CG1-CB 3.81Å; G362-A366 PolarHBondContact O-N 3.39Å; A366-H368 PolarHBondContact O-N 3.48Å; A366-I369 HydrophobicContact CB-CD1 3.85Å; A366-I369 WeakPolarHBondContact O-CB 3.33Å; A366-I369 WeakPolarHBondContact O-CD1 3.5Å; A366-I369 VanDerWaalsContact O-CG1 3.3Å; A366-I369 WeakPolarHBondContact O-CG1 2.9Å; A366-I369 PolarHBondContact O-N 3.19Å; A366-I369 VanDerWaalsContact O-N 3.11Å |
| 367 | V | 93.7 | Very high | 95.2 | Very high | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -59 | -30.4 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | S211 V225 N365 | S211-V367 WeakPolarHBondContact OG-CG1 3.47Å; V225-V367 HydrophobicContact CG1-CG2 4.41Å; V225-V367 HydrophobicContact CG2-CG2 3.88Å; N365-V367 PolarHBondContact O-N 3.42Å; N365-V367 VanDerWaalsContact O-N 3.17Å; N365-V367 WeakPolarHBondContact OD1-CB 3.27Å; N365-V367 WeakPolarHBondContact OD1-CG2 3.47Å; N365-V367 PolarHBondContact OD1-N 3.33Å |
| 368 | H | 92.5 | Very high | 95.2 | Very high | 114 Ų | 114 | 36 Ų | 36 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -87.3 | -1.7 | -178.5 | -64.6 | -45.2 | 0 | 0 | 0 | 113.7 | F361 N365 A366 P370 | F361-H368 WeakPolarHBondContact CB-O 3.38Å; F361-H368 VanDerWaalsContact O-CB 3.32Å; F361-H368 WeakPolarHBondContact O-CB 3.37Å; N365-H368 PolarHBondContact ND2-CD2 2.77Å; N365-H368 PolarHBondContact ND2-NE2 2.66Å; N365-H368 PolarHBondContact O-N 2.97Å; N365-H368 VanDerWaalsContact O-N 3.08Å; A366-H368 PolarHBondContact O-N 3.48Å; H368-P370 VanDerWaalsContact O-CD 3.24Å; H368-P370 WeakPolarHBondContact O-CD 3.42Å |
| 369 | I | 95 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -60.8 | 123.2 | 176.6 | -61.1 | 162.4 | 0 | 0 | 0 | 109.5 | P223 W312 A316 M319 R358 A366 R371 | P223-I369 HydrophobicContact CB-CD1 4.06Å; P223-I369 HydrophobicContact CG-CD1 3.74Å; W312-I369 HydrophobicContact CH2-CD1 4.49Å; W312-I369 HydrophobicContact CH2-CG1 4.46Å; W312-I369 HydrophobicContact CZ2-CD1 3.75Å; W312-I369 HydrophobicContact CZ2-CG1 3.97Å; A316-I369 HydrophobicContact CB-CD1 4.07Å; A316-I369 HydrophobicContact CB-CG2 4.39Å; M319-I369 HydrophobicContact CB-CG2 3.92Å; M319-I369 HydrophobicContact CE-CB 4.08Å; M319-I369 HydrophobicContact CG-CB 4.11Å; M319-I369 HydrophobicContact CG-CD1 4.13Å; M319-I369 HydrophobicContact CG-CG2 3.68Å; M319-I369 HydrophobicContact SD-CD1 4.49Å; R358-I369 HydrophobicContact CB-CG2 4.04Å; R358-I369 HydrophobicContact CG-CG2 4Å; A366-I369 HydrophobicContact CB-CD1 3.85Å; A366-I369 WeakPolarHBondContact O-CB 3.33Å; A366-I369 WeakPolarHBondContact O-CD1 3.5Å; A366-I369 VanDerWaalsContact O-CG1 3.3Å; A366-I369 WeakPolarHBondContact O-CG1 2.9Å; A366-I369 PolarHBondContact O-N 3.19Å; A366-I369 VanDerWaalsContact O-N 3.11Å; I369-R371 PolarHBondContact O-N 2.9Å |
| 370 | P | 94.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 136.8 | 174.5 | -25.9 | 36.9 | 0 | 0 | 0 | 111.7 | P78 I353 V357 R358 F361 H368 | P78-P370 HydrophobicContact CG-CB 3.98Å; P78-P370 HydrophobicContact CG-CG 3.99Å; I353-P370 HydrophobicContact CD1-CB 3.8Å; I353-P370 HydrophobicContact CG2-CB 4.29Å; V357-P370 HydrophobicContact CG1-CG 4.26Å; R358-P370 PolarHBondContact NH1-O 2.71Å; F361-P370 HydrophobicContact CB-CG 4.18Å; F361-P370 HydrophobicContact CD2-CG 4.05Å; F361-P370 HydrophobicContact CG-CG 4.09Å; H368-P370 VanDerWaalsContact O-CD 3.24Å; H368-P370 WeakPolarHBondContact O-CD 3.42Å |
| 371 | R | 94.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 24% | 0.242 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -98 | 123.2 | -172.9 | -63.8 | -177.2 | -170.8 | 83.8 | 2.6 | 112.1 | N226 M319 D321 R351 I369 | N226-R371 PolarHBondContact OD1-NE 3.16Å; M319-R371 HydrophobicContact CE-CG 4.42Å; M319-R371 CarbonylContact O-C 3.49Å; M319-R371 WeakPolarHBondContact O-CA 3.29Å; D321-R371 HydrophobicContact CB-CB 4.36Å; R351-R371 WeakPolarHBondContact CD-O 3.43Å; R351-R371 PolarHBondContact NH1-O 3.27Å; I369-R371 PolarHBondContact O-N 2.9Å |
| 372 | G | 95.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | trans | 176.3 | 151.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M319 R351 R358 | M319-G372 PolarHBondContact O-N 3.39Å; R351-G372 CarbonylContact O-C 3.51Å; R358-G372 PolarHBondContact NH2-O 2.86Å | ||
| 373 | I | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 134.5 | 174.7 | -67.9 | 172.9 | 0 | 0 | 0 | 108.1 | P287 C320 L324 H350 R351 S375 L450 F451 | P287-I373 HydrophobicContact CB-CD1 3.87Å; P287-I373 HydrophobicContact CB-CG2 4.33Å; P287-I373 HydrophobicContact CG-CB 4.3Å; P287-I373 HydrophobicContact CG-CD1 4.37Å; P287-I373 HydrophobicContact CG-CG2 3.89Å; C320-I373 HydrophobicContact CB-CD1 3.78Å; C320-I373 HydrophobicContact CB-CG1 3.96Å; L324-I373 HydrophobicContact CD1-CD1 3.67Å; L324-I373 HydrophobicContact CD2-CD1 4.33Å; L324-I373 HydrophobicContact CG-CD1 4.04Å; H350-I373 CarbonylContact C-O 3.33Å; H350-I373 VanDerWaalsContact CA-O 3.31Å; H350-I373 WeakPolarHBondContact CA-O 3.31Å; R351-I373 PolarHBondContact N-O 3.43Å; R351-I373 CarbonylContact O-C 3.58Å; R351-I373 PolarHBondContact O-N 2.92Å; R351-I373 VanDerWaalsContact O-N 3.16Å; I373-S375 PolarHBondContact O-N 3.12Å; I373-L450 HydrophobicContact CB-CD1 4.42Å; I373-L450 HydrophobicContact CD1-CD1 3.91Å; I373-L450 HydrophobicContact CG1-CD1 3.81Å; I373-L450 HydrophobicContact CG2-CD1 3.82Å; I373-L450 HydrophobicContact CG2-CG 4.5Å; I373-F451 HydrophobicContact CG2-CE2 4.31Å |
| 374 | A | 97.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | trans | -86 | 94.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H350 A352 L443 V447 | H350-A374 WeakPolarHBondContact ND1-CA 3.5Å; A352-A374 HydrophobicContact CB-CB 3.92Å; A374-L443 HydrophobicContact CB-CD1 4.02Å; A374-L443 HydrophobicContact CB-CD2 3.71Å; A374-L443 HydrophobicContact CB-CG 4.48Å; A374-V447 HydrophobicContact CB-CG1 3.6Å | ||
| 375 | S | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -123.6 | -8.5 | -169.5 | 48.4 | 0 | 0 | 0 | 0 | 115.5 | S348 H350 I373 G377 H378 R379 | S348-S375 VanDerWaalsContact C-OG 3.3Å; S348-S375 WeakPolarHBondContact CB-OG 3.26Å; S348-S375 PolarHBondContact O-OG 3.4Å; H350-S375 PolarHBondContact ND1-N 3.3Å; H350-S375 VanDerWaalsContact ND1-N 3.16Å; I373-S375 PolarHBondContact O-N 3.12Å; S375-G377 PolarHBondContact O-N 3.25Å; S375-H378 PolarHBondContact O-N 3.1Å; S375-R379 PolarHBondContact O-N 3.14Å | ||
| 376 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -51.8 | -51.9 | -174.1 | -174.8 | 56.3 | 0 | 0 | 0 | 113.5 | D65 A86 A90 T95 I98 H350 H378 R379 | D65-L376 HydrophobicContact CB-CD1 4.29Å; D65-L376 WeakPolarHBondContact OD2-CD1 3.29Å; A86-L376 HydrophobicContact CB-CD2 4.41Å; A90-L376 HydrophobicContact CB-CD1 4.24Å; A90-L376 HydrophobicContact CB-CD2 3.86Å; A90-L376 HydrophobicContact CB-CG 3.82Å; T95-L376 HydrophobicContact CG2-CD1 4.34Å; I98-L376 HydrophobicContact CG2-CD1 3.91Å; I98-L376 HydrophobicContact CG2-CD2 4.46Å; H350-L376 HydrophobicContact CB-CB 3.73Å; H350-L376 WeakPolarHBondContact ND1-CB 3.04Å; H350-L376 PolarHBondContact ND1-N 3.45Å; L376-H378 VanDerWaalsContact C-N 3.3Å; L376-H378 PolarHBondContact O-N 2.62Å; L376-R379 PolarHBondContact O-N 3.43Å |
| 377 | G | 95.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -75.6 | -12.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A89 G93 S375 | A89-G377 WeakPolarHBondContact O-CA 3.45Å; G93-G377 WeakPolarHBondContact CA-O 2.99Å; S375-G377 PolarHBondContact O-N 3.25Å |
| 378 | H | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -95.6 | -16.9 | 176.7 | -66.1 | 93.5 | 0 | 0 | 0 | 112.5 | S375 L376 M380 V381 A382 N449 F451 | S375-H378 PolarHBondContact O-N 3.1Å; L376-H378 VanDerWaalsContact C-N 3.3Å; L376-H378 PolarHBondContact O-N 2.62Å; H378-M380 PolarHBondContact O-N 2.83Å; H378-V381 PolarHBondContact O-N 3.33Å; H378-A382 VanDerWaalsContact O-CB 3.23Å; H378-A382 WeakPolarHBondContact O-CB 3.27Å; H378-A382 PolarHBondContact O-N 2.72Å; H378-N449 PolarHBondContact CE1-ND2 3.01Å; H378-N449 PolarHBondContact CE1-OD1 2.94Å; H378-N449 PolarHBondContact NE2-ND2 3.25Å; H378-N449 PolarHBondContact NE2-OD1 3.4Å; H378-F451 HydrophobicContact CB-CB 4.31Å; H378-F451 HydrophobicContact CB-CD1 3.97Å; H378-F451 HydrophobicContact CB-CD2 3.78Å; H378-F451 HydrophobicContact CB-CE1 4.21Å; H378-F451 HydrophobicContact CB-CE2 4.06Å; H378-F451 HydrophobicContact CB-CG 3.75Å; H378-F451 HydrophobicContact CB-CZ 4.27Å; H378-F451 VanDerWaalsContact CD2-CB 3.4Å; H378-F451 WeakPolarHBondContact CD2-CB 3.37Å; H378-F451 AromaticContact CD2-CG 3.81Å; H378-F451 AromaticContact CG-CD2 3.57Å; H378-F451 AromaticContact CG-CG 3.64Å; H378-F451 AromaticContact ND1-CD2 3.65Å |
| 379 | R | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -49.7 | -54.5 | -168.5 | -173.8 | -178.3 | 67 | 120.5 | -2.3 | 114.4 | I64 D65 T95 I286 V346 G347 S375 L376 L383 | I64-R379 PolarHBondContact O-NH1 2.83Å; I64-R379 PolarHBondContact O-NH2 3.33Å; D65-R379 IonicContact OD2-NE 3.58Å; T95-R379 PolarHBondContact OG1-NH2 3.26Å; I286-R379 HydrophobicContact CB-CG 4.21Å; I286-R379 HydrophobicContact CG2-CB 4.1Å; I286-R379 HydrophobicContact CG2-CG 4.16Å; V346-R379 PolarHBondContact O-NH1 3.25Å; G347-R379 VanDerWaalsContact C-CD 3.5Å; S375-R379 PolarHBondContact O-N 3.14Å; L376-R379 PolarHBondContact O-N 3.43Å; R379-L383 VanDerWaalsContact O-CB 3.31Å; R379-L383 WeakPolarHBondContact O-CB 3.17Å; R379-L383 PolarHBondContact O-N 2.81Å |
| 380 | M | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72 | -46.8 | -176.8 | -56.1 | -68.5 | -76.3 | 0 | 0 | 111 | G93 H378 L383 W384 F398 T402 L428 W430 | G93-M380 WeakPolarHBondContact O-CB 3.38Å; G93-M380 WeakPolarHBondContact O-CG 3.41Å; H378-M380 PolarHBondContact O-N 2.83Å; M380-L383 PolarHBondContact O-N 2.96Å; M380-W384 WeakPolarHBondContact O-CB 3.4Å; M380-W384 PolarHBondContact O-N 2.62Å; M380-F398 HydrophobicContact CB-CZ 4.1Å; M380-F398 HydrophobicContact CE-CE1 3.7Å; M380-F398 HydrophobicContact CE-CZ 3.66Å; M380-F398 WeakPolarHBondContact O-CE2 3.43Å; M380-F398 HydrophobicContact SD-CZ 4.32Å; M380-T402 HydrophobicContact CE-CG2 4.12Å; M380-T402 VanDerWaalsContact SD-CB 3.56Å; M380-T402 HydrophobicContact SD-CG2 3.71Å; M380-L428 HydrophobicContact CE-CD1 4.09Å; M380-W430 HydrophobicContact CB-CH2 4.13Å; M380-W430 HydrophobicContact CB-CZ3 4.11Å |
| 381 | V | 96.5 | Very high | 97 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | H378 W384 H385 W430 Y434 L439 Y456 | H378-V381 PolarHBondContact O-N 3.33Å; V381-W384 PolarHBondContact O-N 3.05Å; V381-H385 PolarHBondContact O-N 2.69Å; V381-W430 HydrophobicContact CG2-CH2 4.1Å; V381-Y434 HydrophobicContact CG1-CE1 4.32Å; V381-L439 HydrophobicContact CG1-CD1 4.15Å; V381-Y456 HydrophobicContact CG1-CD1 3.73Å; V381-Y456 HydrophobicContact CG1-CD2 4.13Å; V381-Y456 HydrophobicContact CG1-CE1 4.46Å; V381-Y456 HydrophobicContact CG1-CG 3.52Å |
| 382 | A | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I286 A290 H378 W384 H385 F386 F451 Y456 | I286-A382 HydrophobicContact CD1-CB 3.94Å; I286-A382 HydrophobicContact CG1-CB 3.75Å; A290-A382 HydrophobicContact CB-CB 3.88Å; H378-A382 VanDerWaalsContact O-CB 3.23Å; H378-A382 WeakPolarHBondContact O-CB 3.27Å; H378-A382 PolarHBondContact O-N 2.72Å; A382-W384 VanDerWaalsContact C-N 3.34Å; A382-H385 PolarHBondContact O-N 3.12Å; A382-F386 HydrophobicContact CB-CD2 4.43Å; A382-F386 WeakPolarHBondContact O-CB 3.5Å; A382-F386 VanDerWaalsContact O-CD2 3.27Å; A382-F386 WeakPolarHBondContact O-CD2 3.43Å; A382-F386 PolarHBondContact O-N 2.76Å; A382-F451 HydrophobicContact CB-CD1 4.16Å; A382-F451 HydrophobicContact CB-CE1 4.32Å; A382-Y456 HydrophobicContact CB-CE1 4.06Å |
| 383 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 176.4 | -175 | 65.1 | 0 | 0 | 0 | 111.8 | I286 I289 L335 L338 V346 R379 M380 G387 L393 F398 V401 T402 | I286-L383 HydrophobicContact CD1-CB 3.87Å; I286-L383 HydrophobicContact CD1-CD1 4.41Å; I289-L383 HydrophobicContact CD1-CD1 4.33Å; L335-L383 HydrophobicContact CD2-CD1 4.03Å; L338-L383 HydrophobicContact CD1-CD1 4.42Å; V346-L383 HydrophobicContact CB-CD2 4.13Å; V346-L383 HydrophobicContact CG1-CD2 4.44Å; V346-L383 HydrophobicContact CG2-CD1 4.33Å; V346-L383 HydrophobicContact CG2-CD2 3.92Å; R379-L383 VanDerWaalsContact O-CB 3.31Å; R379-L383 WeakPolarHBondContact O-CB 3.17Å; R379-L383 PolarHBondContact O-N 2.81Å; M380-L383 PolarHBondContact O-N 2.96Å; L383-G387 WeakPolarHBondContact O-CA 3.46Å; L383-G387 PolarHBondContact O-N 2.71Å; L383-L393 HydrophobicContact CD1-CD1 4.04Å; L383-L393 HydrophobicContact CG-CD1 4.14Å; L383-F398 HydrophobicContact CB-CD2 4.48Å; L383-F398 HydrophobicContact CB-CE2 4.07Å; L383-F398 HydrophobicContact CD2-CD2 4.09Å; L383-F398 HydrophobicContact CD2-CE2 4.18Å; L383-F398 HydrophobicContact CG-CD2 4.11Å; L383-F398 HydrophobicContact CG-CE2 4.18Å; L383-V401 HydrophobicContact CD2-CG2 3.87Å; L383-T402 HydrophobicContact CD2-CG2 3.42Å; L383-T402 VanDerWaalsContact CD2-CG2 3.42Å |
| 384 | W | 98.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 6% | 0.064 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -63.3 | -47.5 | 175.3 | -176.4 | -85.6 | 0 | 0 | 0 | 110.9 | L58 L60 M380 V381 A382 V388 E389 P395 F398 W430 S458 | L58-W384 HydrophobicContact CD1-CH2 3.35Å; L58-W384 HydrophobicContact CD1-CZ2 3.84Å; L58-W384 HydrophobicContact CD1-CZ3 4.34Å; L60-W384 HydrophobicContact CD1-CE3 4.45Å; L60-W384 HydrophobicContact CD1-CZ3 4.07Å; M380-W384 WeakPolarHBondContact O-CB 3.4Å; M380-W384 PolarHBondContact O-N 2.62Å; V381-W384 PolarHBondContact O-N 3.05Å; A382-W384 VanDerWaalsContact C-N 3.34Å; W384-V388 HydrophobicContact CD2-CB 3.99Å; W384-V388 HydrophobicContact CD2-CG1 4.32Å; W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CE3-CB 4.25Å; W384-V388 HydrophobicContact CE3-CG2 3.82Å; W384-V388 HydrophobicContact CG-CB 4.34Å; W384-V388 HydrophobicContact CH2-CG1 4.04Å; W384-V388 HydrophobicContact CZ2-CB 4.41Å; W384-V388 HydrophobicContact CZ2-CG1 3.84Å; W384-V388 HydrophobicContact CZ3-CG1 4.39Å; W384-V388 HydrophobicContact CZ3-CG2 4.1Å; W384-V388 WeakPolarHBondContact O-CA 3.33Å; W384-V388 WeakPolarHBondContact O-CB 3.38Å; W384-V388 PolarHBondContact O-N 3.16Å; W384-E389 VanDerWaalsContact CD1-OE1 3.31Å; W384-E389 PolarHBondContact NE1-OE1 2.9Å; W384-E389 PolarHBondContact O-N 2.83Å; W384-P395 HydrophobicContact CH2-CB 3.93Å; W384-P395 HydrophobicContact CH2-CG 3.95Å; W384-P395 HydrophobicContact CZ3-CB 4.19Å; W384-F398 HydrophobicContact CB-CD2 4.37Å; W384-F398 HydrophobicContact CB-CE2 3.83Å; W384-F398 HydrophobicContact CB-CZ 4.29Å; W384-F398 HydrophobicContact CE3-CB 4.42Å; W384-F398 AromaticContact CE3-CD1 3.73Å; W384-F398 HydrophobicContact CE3-CD1 3.73Å; W384-F398 AromaticContact CE3-CD2 3.92Å; W384-F398 HydrophobicContact CE3-CD2 3.92Å; W384-F398 AromaticContact CE3-CE1 3.86Å; W384-F398 HydrophobicContact CE3-CE1 3.86Å; W384-F398 HydrophobicContact CE3-CE2 4.03Å; W384-F398 AromaticContact CE3-CG 3.76Å; W384-F398 HydrophobicContact CE3-CG 3.76Å; W384-F398 AromaticContact CE3-CZ 3.99Å; W384-F398 HydrophobicContact CE3-CZ 3.99Å; W384-F398 HydrophobicContact CZ3-CB 4.45Å; W384-F398 AromaticContact CZ3-CD1 3.92Å; W384-F398 HydrophobicContact CZ3-CD1 3.92Å; W384-F398 HydrophobicContact CZ3-CE1 4.32Å; W384-F398 HydrophobicContact CZ3-CG 4.11Å; W384-W430 HydrophobicContact CB-CH2 3.94Å; W384-W430 HydrophobicContact CB-CZ2 3.39Å; W384-W430 AromaticContact CD1-CZ2 3.89Å; W384-W430 AromaticContact CD1-NE1 3.76Å; W384-W430 AromaticContact CD2-CE2 3.72Å; W384-W430 AromaticContact CD2-CZ2 3.78Å; W384-W430 HydrophobicContact CD2-CZ2 3.78Å; W384-W430 AromaticContact CD2-NE1 3.6Å; W384-W430 AromaticContact CE2-NE1 3.47Å; W384-W430 HydrophobicContact CE3-CZ2 4.24Å; W384-W430 AromaticContact CG-CE2 3.76Å; W384-W430 HydrophobicContact CG-CH2 4.32Å; W384-W430 AromaticContact CG-CZ2 3.37Å; W384-W430 HydrophobicContact CG-CZ2 3.37Å; W384-W430 AromaticContact CG-NE1 3.81Å; W384-W430 AromaticContact NE1-NE1 3.56Å; W384-S458 PolarHBondContact NE1-OG 3.34Å |
| 385 | H | 96.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -63.4 | -55.9 | 178.8 | -177.6 | 74.7 | 0 | 0 | 0 | 112.7 | V381 A382 G387 E389 S390 T454 Y456 | V381-H385 PolarHBondContact O-N 2.69Å; A382-H385 PolarHBondContact O-N 3.12Å; H385-G387 VanDerWaalsContact C-N 3.3Å; H385-G387 PolarHBondContact O-N 3.18Å; H385-E389 IonicContact CE1-OE2 3.16Å; H385-E389 IonicContact CG-OE2 2.77Å; H385-E389 IonicContact ND1-OE2 2.73Å; H385-E389 PolarHBondContact ND1-OE2 3.06Å; H385-S390 PolarHBondContact O-N 3.31Å; H385-T454 WeakPolarHBondContact NE2-CG2 3.09Å; H385-Y456 HydrophobicContact CB-CD1 3.73Å; H385-Y456 HydrophobicContact CB-CE1 4.05Å; H385-Y456 AromaticContact CG-CD1 3.97Å |
| 386 | F | 97.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -78.9 | -12.9 | -176.3 | -69.3 | -65.3 | 0 | 0 | 0 | 114.2 | I289 A290 L293 L335 A382 S390 T454 | I289-F386 HydrophobicContact CG2-CB 4.43Å; A290-F386 HydrophobicContact CB-CD2 3.51Å; A290-F386 HydrophobicContact CB-CE2 3.64Å; L293-F386 HydrophobicContact CB-CD1 3.6Å; L293-F386 HydrophobicContact CB-CE1 3.64Å; L293-F386 HydrophobicContact CB-CG 4.23Å; L293-F386 HydrophobicContact CB-CZ 4.29Å; L293-F386 HydrophobicContact CD1-CB 3.95Å; L293-F386 HydrophobicContact CD1-CD1 3.99Å; L293-F386 HydrophobicContact CD1-CG 4.13Å; L293-F386 HydrophobicContact CG-CD1 4.44Å; L335-F386 VanDerWaalsContact CD1-O 3.29Å; L335-F386 WeakPolarHBondContact CD1-O 3.49Å; A382-F386 HydrophobicContact CB-CD2 4.43Å; A382-F386 WeakPolarHBondContact O-CB 3.5Å; A382-F386 VanDerWaalsContact O-CD2 3.27Å; A382-F386 WeakPolarHBondContact O-CD2 3.43Å; A382-F386 PolarHBondContact O-N 2.76Å; F386-S390 PolarHBondContact O-OG 3.24Å; F386-T454 HydrophobicContact CE2-CG2 4.15Å; F386-T454 HydrophobicContact CZ-CG2 3.81Å; F386-T454 WeakPolarHBondContact CZ-OG1 3.43Å |
| 387 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -106.4 | -62.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L383 H385 S390 G391 F392 L393 | L383-G387 WeakPolarHBondContact O-CA 3.46Å; L383-G387 PolarHBondContact O-N 2.71Å; H385-G387 VanDerWaalsContact C-N 3.3Å; H385-G387 PolarHBondContact O-N 3.18Å; G387-S390 PolarHBondContact O-OG 2.88Å; G387-G391 PolarHBondContact O-N 3.44Å; G387-F392 CarbonylContact O-C 3.24Å; G387-F392 WeakPolarHBondContact O-CA 3.4Å; G387-F392 WeakPolarHBondContact O-CB 3.48Å; G387-F392 PolarHBondContact O-N 3.26Å; G387-L393 PolarHBondContact O-N 2.88Å |
| 388 | V | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -78.6 | -54 | -173.5 | -177.9 | 0 | 0 | 0 | 0 | 112 | W384 S390 G391 L393 P395 F398 | W384-V388 HydrophobicContact CD2-CB 3.99Å; W384-V388 HydrophobicContact CD2-CG1 4.32Å; W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CE3-CB 4.25Å; W384-V388 HydrophobicContact CE3-CG2 3.82Å; W384-V388 HydrophobicContact CG-CB 4.34Å; W384-V388 HydrophobicContact CH2-CG1 4.04Å; W384-V388 HydrophobicContact CZ2-CB 4.41Å; W384-V388 HydrophobicContact CZ2-CG1 3.84Å; W384-V388 HydrophobicContact CZ3-CG1 4.39Å; W384-V388 HydrophobicContact CZ3-CG2 4.1Å; W384-V388 WeakPolarHBondContact O-CA 3.33Å; W384-V388 WeakPolarHBondContact O-CB 3.38Å; W384-V388 PolarHBondContact O-N 3.16Å; V388-S390 PolarHBondContact O-N 3.11Å; V388-G391 PolarHBondContact O-N 3.47Å; V388-L393 VanDerWaalsContact CA-O 3.32Å; V388-L393 WeakPolarHBondContact CA-O 3.34Å; V388-L393 HydrophobicContact CG2-CB 3.95Å; V388-P395 HydrophobicContact CG1-CG 4.13Å; V388-F398 HydrophobicContact CG2-CB 3.72Å; V388-F398 HydrophobicContact CG2-CD2 4.15Å; V388-F398 HydrophobicContact CG2-CG 4.18Å |
| 389 | E | 96.8 | Very high | 97.8 | Very high | 66 Ų | 66 | 26 Ų | 26 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -66.3 | -29.3 | -176.3 | -63.8 | 176.1 | 171.1 | 0 | 0 | 112.1 | W384 H385 G391 S458 | W384-E389 VanDerWaalsContact CD1-OE1 3.31Å; W384-E389 PolarHBondContact NE1-OE1 2.9Å; W384-E389 PolarHBondContact O-N 2.83Å; H385-E389 IonicContact CE1-OE2 3.16Å; H385-E389 IonicContact CG-OE2 2.77Å; H385-E389 IonicContact ND1-OE2 2.73Å; H385-E389 PolarHBondContact ND1-OE2 3.06Å; E389-G391 VanDerWaalsContact C-N 3.33Å; E389-S458 WeakPolarHBondContact OE1-CB 3.27Å; E389-S458 PolarHBondContact OE1-OG 2.9Å |
| 390 | S | 95.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 27.5 Ų | 27.5 | 43% | 0.434 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.6 | 174.7 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | H385 F386 G387 V388 | H385-S390 PolarHBondContact O-N 3.31Å; F386-S390 PolarHBondContact O-OG 3.24Å; G387-S390 PolarHBondContact O-OG 2.88Å; V388-S390 PolarHBondContact O-N 3.11Å |
| 391 | G | 96.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 67% | 0.67 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 13.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G387 V388 E389 | G387-G391 PolarHBondContact O-N 3.44Å; V388-G391 PolarHBondContact O-N 3.47Å; E389-G391 VanDerWaalsContact C-N 3.33Å |
| 392 | F | 97.7 | Very high | 98 | Very high | 66 Ų | 66 | 27.5 Ų | 27.5 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -77.9 | -44.4 | 170.9 | -81.2 | -89.6 | 0 | 0 | 0 | 112.3 | Q332 L335 V339 G387 | Q332-F392 HydrophobicContact CB-CE1 4.03Å; Q332-F392 HydrophobicContact CB-CZ 3.74Å; Q332-F392 HydrophobicContact CG-CE1 4.41Å; Q332-F392 HydrophobicContact CG-CE2 4.24Å; Q332-F392 HydrophobicContact CG-CZ 3.63Å; L335-F392 HydrophobicContact CB-CB 4.09Å; L335-F392 HydrophobicContact CB-CD1 3.7Å; L335-F392 HydrophobicContact CB-CE1 4.32Å; L335-F392 HydrophobicContact CB-CG 3.92Å; L335-F392 HydrophobicContact CD1-CB 4.28Å; L335-F392 HydrophobicContact CD1-CD1 4.3Å; L335-F392 HydrophobicContact CD1-CD2 3.87Å; L335-F392 HydrophobicContact CD1-CE2 4.28Å; L335-F392 HydrophobicContact CD1-CG 3.89Å; L335-F392 HydrophobicContact CG-CG 4.48Å; V339-F392 WeakPolarHBondContact CG2-O 3.28Å; G387-F392 CarbonylContact O-C 3.24Å; G387-F392 WeakPolarHBondContact O-CA 3.4Å; G387-F392 WeakPolarHBondContact O-CB 3.48Å; G387-F392 PolarHBondContact O-N 3.26Å |
| 393 | L | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -109.7 | 144.8 | -178 | -59.7 | 172.5 | 0 | 0 | 0 | 109.7 | L335 L338 V339 L383 G387 V388 M397 | L335-L393 HydrophobicContact CD2-CD1 4.44Å; L338-L393 HydrophobicContact CB-CD2 4.35Å; V339-L393 HydrophobicContact CG2-CD2 3.58Å; L383-L393 HydrophobicContact CD1-CD1 4.04Å; L383-L393 HydrophobicContact CG-CD1 4.14Å; G387-L393 PolarHBondContact O-N 2.88Å; V388-L393 VanDerWaalsContact CA-O 3.32Å; V388-L393 WeakPolarHBondContact CA-O 3.34Å; V388-L393 HydrophobicContact CG2-CB 3.95Å; L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.13Å; L393-M397 HydrophobicContact CD2-CG 3.53Å |
| 394 | D | 98.2 | Very high | 98.1 | Very high | 94 Ų | 94 | 27.5 Ų | 27.5 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | trans | -85.1 | 165.5 | 156.4 | 70 | 43.6 | 0 | 0 | 0 | 110.3 | C396 M397 F398 | D394-C396 VanDerWaalsContact C-N 3.27Å; D394-C396 PolarHBondContact O-N 3.48Å; D394-C396 WeakPolarHBondContact OD1-CA 3.26Å; D394-C396 VanDerWaalsContact OD1-CB 3.31Å; D394-C396 WeakPolarHBondContact OD1-CB 3.47Å; D394-C396 PolarHBondContact OD1-N 3.32Å; D394-M397 PolarHBondContact O-N 3.18Å; D394-M397 PolarHBondContact OD1-N 3.36Å; D394-F398 PolarHBondContact O-N 3.21Å | ||
| 395 | P | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 26.7 Ų | 26.7 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58 | -32.6 | 178.4 | -28.9 | 37.3 | 0 | 0 | 0 | 114.9 | V19 W384 V388 F398 V399 | V19-P395 HydrophobicContact CG1-CB 3.78Å; W384-P395 HydrophobicContact CH2-CB 3.93Å; W384-P395 HydrophobicContact CH2-CG 3.95Å; W384-P395 HydrophobicContact CZ3-CB 4.19Å; V388-P395 HydrophobicContact CG1-CG 4.13Å; P395-F398 WeakPolarHBondContact O-CB 3.31Å; P395-F398 PolarHBondContact O-N 3.12Å; P395-V399 WeakPolarHBondContact O-CG2 3.4Å; P395-V399 PolarHBondContact O-N 2.87Å; P395-V399 VanDerWaalsContact O-N 3.08Å |
| 396 | C | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.7 | -42.1 | 178 | -64.6 | 0 | 0 | 0 | 0 | 110.4 | N20 H21 D394 F398 V399 K400 | N20-C396 WeakPolarHBondContact O-CB 3.45Å; N20-C396 PolarHBondContact O-SG 2.83Å; H21-C396 WeakPolarHBondContact CA-O 3.42Å; D394-C396 VanDerWaalsContact C-N 3.27Å; D394-C396 PolarHBondContact O-N 3.48Å; D394-C396 WeakPolarHBondContact OD1-CA 3.26Å; D394-C396 VanDerWaalsContact OD1-CB 3.31Å; D394-C396 WeakPolarHBondContact OD1-CB 3.47Å; D394-C396 PolarHBondContact OD1-N 3.32Å; C396-F398 VanDerWaalsContact C-N 3.33Å; C396-F398 PolarHBondContact O-N 2.85Å; C396-V399 PolarHBondContact O-N 3.35Å; C396-K400 WeakPolarHBondContact O-CB 3.29Å; C396-K400 PolarHBondContact O-N 2.95Å |
| 397 | M | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 175.5 | -166 | 65.3 | -144.7 | 0 | 0 | 111.6 | L338 E341 L393 D394 K400 V401 | L338-M397 WeakPolarHBondContact O-CE 3.46Å; E341-M397 HydrophobicContact CG-CE 3.91Å; L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.13Å; L393-M397 HydrophobicContact CD2-CG 3.53Å; D394-M397 PolarHBondContact O-N 3.18Å; D394-M397 PolarHBondContact OD1-N 3.36Å; M397-K400 HydrophobicContact CE-CB 4.35Å; M397-K400 HydrophobicContact CE-CD 4.22Å; M397-K400 HydrophobicContact CE-CG 4.45Å; M397-K400 WeakPolarHBondContact O-CB 3.4Å; M397-K400 PolarHBondContact O-N 2.85Å; M397-K400 HydrophobicContact SD-CB 4.39Å; M397-K400 HydrophobicContact SD-CD 4.07Å; M397-V401 HydrophobicContact CE-CG1 3.3Å; M397-V401 PolarHBondContact O-N 3.43Å |
| 398 | F | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -50 | 170.9 | 173.9 | -90.5 | 0 | 0 | 0 | 111.7 | L60 M380 L383 W384 V388 D394 P395 C396 K400 V401 T402 W430 | L60-F398 HydrophobicContact CD1-CD1 4.22Å; L60-F398 HydrophobicContact CD1-CE1 3.82Å; M380-F398 HydrophobicContact CB-CZ 4.1Å; M380-F398 HydrophobicContact CE-CE1 3.7Å; M380-F398 HydrophobicContact CE-CZ 3.66Å; M380-F398 WeakPolarHBondContact O-CE2 3.43Å; M380-F398 HydrophobicContact SD-CZ 4.32Å; L383-F398 HydrophobicContact CB-CD2 4.48Å; L383-F398 HydrophobicContact CB-CE2 4.07Å; L383-F398 HydrophobicContact CD2-CD2 4.09Å; L383-F398 HydrophobicContact CD2-CE2 4.18Å; L383-F398 HydrophobicContact CG-CD2 4.11Å; L383-F398 HydrophobicContact CG-CE2 4.18Å; W384-F398 HydrophobicContact CB-CD2 4.37Å; W384-F398 HydrophobicContact CB-CE2 3.83Å; W384-F398 HydrophobicContact CB-CZ 4.29Å; W384-F398 HydrophobicContact CE3-CB 4.42Å; W384-F398 AromaticContact CE3-CD1 3.73Å; W384-F398 HydrophobicContact CE3-CD1 3.73Å; W384-F398 AromaticContact CE3-CD2 3.92Å; W384-F398 HydrophobicContact CE3-CD2 3.92Å; W384-F398 AromaticContact CE3-CE1 3.86Å; W384-F398 HydrophobicContact CE3-CE1 3.86Å; W384-F398 HydrophobicContact CE3-CE2 4.03Å; W384-F398 AromaticContact CE3-CG 3.76Å; W384-F398 HydrophobicContact CE3-CG 3.76Å; W384-F398 AromaticContact CE3-CZ 3.99Å; W384-F398 HydrophobicContact CE3-CZ 3.99Å; W384-F398 HydrophobicContact CZ3-CB 4.45Å; W384-F398 AromaticContact CZ3-CD1 3.92Å; W384-F398 HydrophobicContact CZ3-CD1 3.92Å; W384-F398 HydrophobicContact CZ3-CE1 4.32Å; W384-F398 HydrophobicContact CZ3-CG 4.11Å; V388-F398 HydrophobicContact CG2-CB 3.72Å; V388-F398 HydrophobicContact CG2-CD2 4.15Å; V388-F398 HydrophobicContact CG2-CG 4.18Å; D394-F398 PolarHBondContact O-N 3.21Å; P395-F398 WeakPolarHBondContact O-CB 3.31Å; P395-F398 PolarHBondContact O-N 3.12Å; C396-F398 VanDerWaalsContact C-N 3.33Å; C396-F398 PolarHBondContact O-N 2.85Å; F398-K400 VanDerWaalsContact C-N 3.28Å; F398-K400 PolarHBondContact O-N 3.31Å; F398-V401 PolarHBondContact O-N 3.47Å; F398-T402 HydrophobicContact CD2-CG2 4.28Å; F398-T402 HydrophobicContact CE2-CG2 4.08Å; F398-T402 HydrophobicContact CZ-CG2 4.22Å; F398-T402 WeakPolarHBondContact O-CB 3.24Å; F398-T402 WeakPolarHBondContact O-CG2 3.34Å; F398-T402 PolarHBondContact O-N 3Å; F398-T402 VanDerWaalsContact O-N 3.13Å; F398-T402 PolarHBondContact O-OG1 3.44Å; F398-W430 HydrophobicContact CZ-CH2 4.24Å; F398-W430 HydrophobicContact CZ-CZ3 4.38Å |
| 399 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | V19 H21 L60 P61 P395 C396 V401 S403 S404 | V19-V399 HydrophobicContact CB-CG2 4.35Å; V19-V399 HydrophobicContact CG1-CG2 3.95Å; H21-V399 HydrophobicContact CB-CG1 4.46Å; L60-V399 HydrophobicContact CB-CG2 4.37Å; L60-V399 HydrophobicContact CD2-CG2 4.14Å; P61-V399 HydrophobicContact CG-CG1 3.74Å; P395-V399 WeakPolarHBondContact O-CG2 3.4Å; P395-V399 PolarHBondContact O-N 2.87Å; P395-V399 VanDerWaalsContact O-N 3.08Å; C396-V399 PolarHBondContact O-N 3.35Å; V399-V401 PolarHBondContact O-N 3.37Å; V399-S403 WeakPolarHBondContact O-CA 3.49Å; V399-S403 WeakPolarHBondContact O-CB 3.31Å; V399-S403 PolarHBondContact O-N 3.06Å; V399-S404 PolarHBondContact O-N 3.08Å |
| 400 | K | 98.9 | Very high | 98.4 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 14% | 0.139 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -58.8 | -49.4 | 180 | -163 | 165.3 | -179.4 | 177.3 | 0 | 112.2 | H21 E341 C396 M397 F398 N405 | H21-K400 HydrophobicContact CB-CB 3.77Å; H21-K400 HydrophobicContact CB-CD 4.35Å; H21-K400 HydrophobicContact CB-CG 3.95Å; E341-K400 VanDerWaalsContact CD-CE 3.48Å; E341-K400 IonicContact OE1-NZ 2.72Å; E341-K400 PolarHBondContact OE1-NZ 3.49Å; E341-K400 WeakPolarHBondContact OE2-CE 3.42Å; E341-K400 IonicContact OE2-NZ 3.97Å; E341-K400 PolarHBondContact OE2-NZ 3.37Å; C396-K400 WeakPolarHBondContact O-CB 3.29Å; C396-K400 PolarHBondContact O-N 2.95Å; M397-K400 HydrophobicContact CE-CB 4.35Å; M397-K400 HydrophobicContact CE-CD 4.22Å; M397-K400 HydrophobicContact CE-CG 4.45Å; M397-K400 WeakPolarHBondContact O-CB 3.4Å; M397-K400 PolarHBondContact O-N 2.85Å; M397-K400 HydrophobicContact SD-CB 4.39Å; M397-K400 HydrophobicContact SD-CD 4.07Å; F398-K400 VanDerWaalsContact C-N 3.28Å; F398-K400 PolarHBondContact O-N 3.31Å; K400-N405 WeakPolarHBondContact O-CB 3.16Å; K400-N405 PolarHBondContact O-N 3.01Å |
| 401 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -83.8 | -20.5 | -174.9 | -56.7 | 0 | 0 | 0 | 0 | 114.5 | L338 C345 V346 L383 M397 F398 V399 | L338-V401 HydrophobicContact CB-CG1 4.28Å; L338-V401 HydrophobicContact CD2-CB 4.18Å; L338-V401 HydrophobicContact CD2-CG1 3.95Å; C345-V401 WeakPolarHBondContact CA-O 3.36Å; C345-V401 WeakPolarHBondContact CB-O 3.25Å; V346-V401 HydrophobicContact CG2-CB 4.46Å; V346-V401 HydrophobicContact CG2-CG2 4.21Å; V346-V401 PolarHBondContact N-O 2.78Å; L383-V401 HydrophobicContact CD2-CG2 3.87Å; M397-V401 HydrophobicContact CE-CG1 3.3Å; M397-V401 PolarHBondContact O-N 3.43Å; F398-V401 PolarHBondContact O-N 3.47Å; V399-V401 PolarHBondContact O-N 3.37Å |
| 402 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -99.4 | -23.7 | -178.1 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | I64 M380 L383 F398 | I64-T402 PolarHBondContact N-O 2.57Å; I64-T402 VanDerWaalsContact O-O 3.1Å; M380-T402 HydrophobicContact CE-CG2 4.12Å; M380-T402 VanDerWaalsContact SD-CB 3.56Å; M380-T402 HydrophobicContact SD-CG2 3.71Å; L383-T402 HydrophobicContact CD2-CG2 3.42Å; L383-T402 VanDerWaalsContact CD2-CG2 3.42Å; F398-T402 HydrophobicContact CD2-CG2 4.28Å; F398-T402 HydrophobicContact CE2-CG2 4.08Å; F398-T402 HydrophobicContact CZ-CG2 4.22Å; F398-T402 WeakPolarHBondContact O-CB 3.24Å; F398-T402 WeakPolarHBondContact O-CG2 3.34Å; F398-T402 PolarHBondContact O-N 3Å; F398-T402 VanDerWaalsContact O-N 3.13Å; F398-T402 PolarHBondContact O-OG1 3.44Å |
| 403 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -133.5 | -60.7 | -167.3 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | G62 V399 A407 | G62-S403 PolarHBondContact O-OG 3.33Å; V399-S403 WeakPolarHBondContact O-CA 3.49Å; V399-S403 WeakPolarHBondContact O-CB 3.31Å; V399-S403 PolarHBondContact O-N 3.06Å; S403-A407 WeakPolarHBondContact O-CB 3.33Å; S403-A407 PolarHBondContact O-N 3.13Å |
| 404 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -72.8 | -46.1 | -170.7 | -51.2 | 0 | 0 | 0 | 0 | 113.9 | H21 V399 A407 R408 G417 | H21-S404 WeakPolarHBondContact CB-OG 3.3Å; V399-S404 PolarHBondContact O-N 3.08Å; S404-A407 PolarHBondContact O-N 3.06Å; S404-R408 WeakPolarHBondContact O-CB 3.43Å; S404-R408 VanDerWaalsContact O-CG 3.25Å; S404-R408 WeakPolarHBondContact O-CG 3.47Å; S404-R408 PolarHBondContact O-N 3.33Å; S404-G417 PolarHBondContact OG-O 2.68Å |
| 405 | N | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 177.6 | -73.5 | -12.7 | 0 | 0 | 0 | 112.1 | V344 K400 A407 R408 L409 | V344-N405 HydrophobicContact CB-CB 4.45Å; V344-N405 WeakPolarHBondContact O-CB 3.25Å; V344-N405 PolarHBondContact O-ND2 3.49Å; K400-N405 WeakPolarHBondContact O-CB 3.16Å; K400-N405 PolarHBondContact O-N 3.01Å; N405-A407 VanDerWaalsContact C-N 3.34Å; N405-A407 PolarHBondContact O-N 3.26Å; N405-R408 WeakPolarHBondContact O-CB 3.2Å; N405-R408 PolarHBondContact O-N 3.44Å; N405-R408 VanDerWaalsContact O-N 3.14Å; N405-L409 WeakPolarHBondContact O-CG 3.42Å; N405-L409 PolarHBondContact O-N 3.17Å |
| 406 | P | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -51.8 | -48.6 | 169.8 | -32 | 38.2 | 0 | 0 | 0 | 113.6 | I64 L66 C345 R408 L409 I410 | I64-P406 HydrophobicContact CB-CB 3.79Å; I64-P406 HydrophobicContact CG2-CB 3.79Å; L66-P406 HydrophobicContact CD1-CB 4.12Å; L66-P406 HydrophobicContact CD2-CB 4.3Å; L66-P406 HydrophobicContact CG-CB 4.01Å; C345-P406 HydrophobicContact CB-CG 3.7Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 3.27Å; P406-L409 PolarHBondContact O-N 2.79Å; P406-I410 PolarHBondContact O-N 2.89Å |
| 407 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I64 S403 S404 N405 N411 V412 Y413 K416 | I64-A407 HydrophobicContact CD1-CB 3.65Å; S403-A407 WeakPolarHBondContact O-CB 3.33Å; S403-A407 PolarHBondContact O-N 3.13Å; S404-A407 PolarHBondContact O-N 3.06Å; N405-A407 VanDerWaalsContact C-N 3.34Å; N405-A407 PolarHBondContact O-N 3.26Å; A407-N411 PolarHBondContact O-N 3.42Å; A407-V412 HydrophobicContact CB-CG2 3.9Å; A407-V412 PolarHBondContact O-N 3.25Å; A407-Y413 HydrophobicContact CB-CD2 4.36Å; A407-Y413 PolarHBondContact O-N 3.45Å; A407-K416 VanDerWaalsContact CB-O 3.31Å; A407-K416 WeakPolarHBondContact CB-O 3.44Å |
| 408 | R | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 18.6 Ų | 18.6 | 19% | 0.185 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 177.5 | -75.1 | 172.6 | 177.6 | 176.8 | 0.4 | 112.3 | H21 S404 N405 P406 I410 N411 Y413 S493 Y495 | H21-R408 PolarHBondContact CE1-NH2 3.44Å; H21-R408 VanDerWaalsContact CE1-NH2 3.3Å; H21-R408 PolarHBondContact NE2-NH2 3.13Å; S404-R408 WeakPolarHBondContact O-CB 3.43Å; S404-R408 VanDerWaalsContact O-CG 3.25Å; S404-R408 WeakPolarHBondContact O-CG 3.47Å; S404-R408 PolarHBondContact O-N 3.33Å; N405-R408 WeakPolarHBondContact O-CB 3.2Å; N405-R408 PolarHBondContact O-N 3.44Å; N405-R408 VanDerWaalsContact O-N 3.14Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 3.27Å; R408-I410 VanDerWaalsContact C-N 3.31Å; R408-I410 PolarHBondContact O-N 3.06Å; R408-N411 PolarHBondContact O-N 2.68Å; R408-Y413 HydrophobicContact CG-CD1 4.02Å; R408-Y413 HydrophobicContact CG-CD2 4.17Å; R408-Y413 HydrophobicContact CG-CG 3.67Å; R408-Y413 PolarHBondContact NH2-OH 3.3Å; R408-S493 WeakPolarHBondContact O-CB 3.42Å; R408-S493 PolarHBondContact O-OG 3.44Å; R408-Y495 HydrophobicContact CB-CD1 3.85Å; R408-Y495 HydrophobicContact CB-CD2 4.17Å; R408-Y495 HydrophobicContact CB-CG 3.66Å; R408-Y495 HydrophobicContact CG-CD2 4.47Å; R408-Y495 HydrophobicContact CG-CG 4.36Å |
| 409 | L | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 179.1 | -73.2 | 168.9 | 0 | 0 | 0 | 111.9 | L66 L195 L256 F281 V344 N405 P406 Y495 V496 | L66-L409 HydrophobicContact CD1-CB 4.05Å; L66-L409 HydrophobicContact CD1-CD1 3.83Å; L195-L409 HydrophobicContact CD2-CB 4.11Å; L195-L409 HydrophobicContact CD2-CD2 3.98Å; L256-L409 HydrophobicContact CD1-CD1 4.39Å; F281-L409 HydrophobicContact CB-CD2 4.17Å; F281-L409 HydrophobicContact CD1-CD2 3.67Å; F281-L409 HydrophobicContact CD2-CD2 4.43Å; F281-L409 HydrophobicContact CE1-CD2 4.17Å; F281-L409 HydrophobicContact CG-CD2 3.82Å; V344-L409 HydrophobicContact CG2-CD1 4.06Å; N405-L409 WeakPolarHBondContact O-CG 3.42Å; N405-L409 PolarHBondContact O-N 3.17Å; P406-L409 PolarHBondContact O-N 2.79Å; L409-Y495 HydrophobicContact CD2-CD1 4.19Å; L409-Y495 HydrophobicContact CD2-CE1 3.97Å; L409-Y495 HydrophobicContact CG-CE1 4.33Å; L409-V496 HydrophobicContact CD2-CG2 4.1Å |
| 410 | I | 98.5 | Very high | 98.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11.4 | 178.6 | 69.7 | 176.1 | 0 | 0 | 0 | 113.9 | I64 L66 V99 V156 P406 R408 V412 C489 | I64-I410 HydrophobicContact CG2-CD1 4.47Å; L66-I410 HydrophobicContact CD1-CG2 4.22Å; L66-I410 HydrophobicContact CD2-CD1 3.99Å; L66-I410 HydrophobicContact CD2-CG2 3.74Å; V99-I410 HydrophobicContact CG2-CD1 3.84Å; V156-I410 HydrophobicContact CG2-CB 4.16Å; P406-I410 PolarHBondContact O-N 2.89Å; R408-I410 VanDerWaalsContact C-N 3.31Å; R408-I410 PolarHBondContact O-N 3.06Å; I410-V412 HydrophobicContact CD1-CG1 4.44Å; I410-V412 HydrophobicContact CD1-CG2 3.94Å; I410-V412 HydrophobicContact CG1-CG1 4.24Å; I410-V412 HydrophobicContact CG1-CG2 3.77Å; I410-V412 PolarHBondContact O-N 3.39Å; I410-C489 VanDerWaalsContact O-CB 3.31Å; I410-C489 WeakPolarHBondContact O-CB 3.48Å |
| 411 | N | 98.5 | Very high | 98.7 | Very high | 46 Ų | 46 | 24.9 Ų | 24.9 | 25% | 0.246 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 38.6 | 175.2 | -152.7 | 23 | 0 | 0 | 0 | 116.4 | A407 R408 R490 P491 | A407-N411 PolarHBondContact O-N 3.42Å; R408-N411 PolarHBondContact O-N 2.68Å; N411-R490 WeakPolarHBondContact CB-O 3.29Å; N411-R490 PolarHBondContact ND2-O 3.42Å; N411-P491 PolarHBondContact ND2-O 3.19Å; N411-P491 VanDerWaalsContact ND2-O 3.13Å |
| 412 | V | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | trans | -110.1 | 9 | 172.2 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | A407 I410 Q415 K416 | A407-V412 HydrophobicContact CB-CG2 3.9Å; A407-V412 PolarHBondContact O-N 3.25Å; I410-V412 HydrophobicContact CD1-CG1 4.44Å; I410-V412 HydrophobicContact CD1-CG2 3.94Å; I410-V412 HydrophobicContact CG1-CG1 4.24Å; I410-V412 HydrophobicContact CG1-CG2 3.77Å; I410-V412 PolarHBondContact O-N 3.39Å; V412-Q415 CarbonylContact O-C 3.44Å; V412-Q415 WeakPolarHBondContact O-CA 3.18Å; V412-Q415 VanDerWaalsContact O-CB 3.26Å; V412-Q415 WeakPolarHBondContact O-CB 3.34Å; V412-Q415 PolarHBondContact O-N 3.05Å; V412-K416 HydrophobicContact CG2-CB 4.17Å; V412-K416 PolarHBondContact O-N 2.84Å | ||
| 413 | Y | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 27.4 Ų | 27.4 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 137.3 | 174.1 | -177.1 | -89.2 | 0 | 0 | 0 | 111 | A407 R408 R418 | A407-Y413 HydrophobicContact CB-CD2 4.36Å; A407-Y413 PolarHBondContact O-N 3.45Å; R408-Y413 HydrophobicContact CG-CD1 4.02Å; R408-Y413 HydrophobicContact CG-CD2 4.17Å; R408-Y413 HydrophobicContact CG-CG 3.67Å; R408-Y413 PolarHBondContact NH2-OH 3.3Å; Y413-R418 HydrophobicContact CE2-CB 3.9Å; Y413-R418 HydrophobicContact CE2-CG 4.37Å; Y413-R418 WeakPolarHBondContact OH-CD 3.24Å |
| 414 | P | 98.2 | Very high | 98.6 | Very high | 60 Ų | 60 | 28.7 Ų | 28.7 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92 | 9.7 | 1.4 | 37.6 | -36.2 | 0 | 0 | 0 | 114.1 | K416 S423 | P414-K416 PolarHBondContact O-N 3.4Å; P414-S423 WeakPolarHBondContact O-CB 3.39Å; P414-S423 PolarHBondContact O-OG 3.49Å |
| 415 | Q | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 28.7 Ų | 28.7 | 42% | 0.416 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -42.7 | 175.8 | -179.4 | -165.5 | -23.8 | 0 | 0 | 110.8 | V412 D424 | V412-Q415 CarbonylContact O-C 3.44Å; V412-Q415 WeakPolarHBondContact O-CA 3.18Å; V412-Q415 VanDerWaalsContact O-CB 3.26Å; V412-Q415 WeakPolarHBondContact O-CB 3.34Å; V412-Q415 PolarHBondContact O-N 3.05Å; Q415-D424 PolarHBondContact NE2-OD2 3.48Å; Q415-D424 VanDerWaalsContact NE2-OD2 3.12Å; Q415-D424 WeakPolarHBondContact O-CB 3.37Å; Q415-D424 PolarHBondContact O-N 3.44Å |
| 416 | K | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -123.8 | 164.1 | 167.9 | -63.1 | -166.7 | 178.5 | -61.7 | 0 | 111.4 | I64 T97 D128 A407 V412 P414 D424 D426 L487 | I64-K416 HydrophobicContact CD1-CB 3.89Å; T97-K416 VanDerWaalsContact OG1-CD 3.28Å; T97-K416 WeakPolarHBondContact OG1-CD 3.48Å; T97-K416 WeakPolarHBondContact OG1-CE 3.48Å; D128-K416 VanDerWaalsContact OD2-CE 3.28Å; D128-K416 WeakPolarHBondContact OD2-CE 3.45Å; D128-K416 IonicContact OD2-NZ 3.61Å; D128-K416 PolarHBondContact OD2-NZ 3.05Å; A407-K416 VanDerWaalsContact CB-O 3.31Å; A407-K416 WeakPolarHBondContact CB-O 3.44Å; V412-K416 HydrophobicContact CG2-CB 4.17Å; V412-K416 PolarHBondContact O-N 2.84Å; P414-K416 PolarHBondContact O-N 3.4Å; K416-D424 WeakPolarHBondContact CE-OD2 3.35Å; K416-D424 HydrophobicContact CG-CB 4.27Å; K416-D424 WeakPolarHBondContact CG-OD2 3.28Å; K416-D424 IonicContact NZ-OD2 3.29Å; K416-D424 PolarHBondContact NZ-OD2 3.34Å; K416-D426 IonicContact NZ-OD1 2.62Å; K416-D426 IonicContact NZ-OD2 3.68Å; K416-D426 PolarHBondContact NZ-OD2 2.8Å; K416-L487 HydrophobicContact CD-CD2 4.41Å |
| 417 | G | 98.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 80.5 | 14.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S404 | S404-G417 PolarHBondContact OG-O 2.68Š|
| 418 | R | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 29 Ų | 29 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -150.4 | 148.3 | 171.2 | -154.3 | -177.1 | -163.5 | -178.1 | 2.9 | 111.1 | N20 D22 Y413 E420 S423 | N20-R418 HydrophobicContact CB-CG 4.35Å; N20-R418 WeakPolarHBondContact OD1-CG 3.31Å; D22-R418 IonicContact OD1-NE 2.86Å; D22-R418 IonicContact OD1-NH2 2.57Å; D22-R418 PolarHBondContact OD1-NH2 3.01Å; D22-R418 IonicContact OD2-NH2 3.33Å; D22-R418 PolarHBondContact OD2-NH2 3.18Å; Y413-R418 HydrophobicContact CE2-CB 3.9Å; Y413-R418 HydrophobicContact CE2-CG 4.37Å; Y413-R418 WeakPolarHBondContact OH-CD 3.24Å; R418-E420 WeakPolarHBondContact CD-OE2 3.5Å; R418-E420 HydrophobicContact CG-CB 4.26Å; R418-E420 IonicContact CZ-OE2 2.8Å; R418-E420 IonicContact NE-OE2 3.62Å; R418-E420 IonicContact NH1-OE1 3.23Å; R418-E420 IonicContact NH1-OE2 3.79Å; R418-E420 PolarHBondContact NH1-OE2 3.22Å; R418-S423 WeakPolarHBondContact O-CB 3.49Å; R418-S423 PolarHBondContact O-OG 3.49Å |
| 419 | I | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -94.7 | 97.5 | 164.3 | -65.8 | 169.7 | 0 | 0 | 0 | 106.8 | V18 N20 V29 I36 V39 L59 P61 I427 | V18-I419 HydrophobicContact CG1-CB 3.84Å; V18-I419 HydrophobicContact CG1-CD1 4.22Å; V18-I419 HydrophobicContact CG1-CG2 3.7Å; V18-I419 HydrophobicContact CG2-CG2 4.21Å; N20-I419 PolarHBondContact ND2-O 2.85Å; N20-I419 PolarHBondContact OD1-N 3.06Å; V29-I419 HydrophobicContact CG1-CG2 4.37Å; V29-I419 HydrophobicContact CG2-CG2 4.05Å; I36-I419 HydrophobicContact CD1-CB 4.25Å; I36-I419 HydrophobicContact CD1-CG1 4.43Å; I36-I419 HydrophobicContact CD1-CG2 4Å; V39-I419 HydrophobicContact CG2-CG2 4.29Å; L59-I419 HydrophobicContact CB-CD1 3.9Å; L59-I419 VanDerWaalsContact O-CD1 3.31Å; L59-I419 WeakPolarHBondContact O-CD1 3.3Å; P61-I419 HydrophobicContact CG-CG1 4.14Å; I419-I427 HydrophobicContact CD1-CG1 4.46Å; I419-I427 HydrophobicContact CD1-CG2 4.16Å; I419-I427 HydrophobicContact CG1-CG1 4.29Å | ||
| 420 | E | 98.1 | Very high | 98.4 | Very high | 76 Ų | 76 | 26.8 Ų | 26.8 | 36% | 0.355 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -150.4 | 155.3 | 178.5 | 179.8 | 172.3 | -160.6 | 0 | 0 | 109.3 | I36 R418 G422 S423 | I36-E420 WeakPolarHBondContact CB-O 3.16Å; R418-E420 WeakPolarHBondContact CD-OE2 3.5Å; R418-E420 HydrophobicContact CG-CB 4.26Å; R418-E420 IonicContact CZ-OE2 2.8Å; R418-E420 IonicContact NE-OE2 3.62Å; R418-E420 IonicContact NH1-OE1 3.23Å; R418-E420 IonicContact NH1-OE2 3.79Å; R418-E420 PolarHBondContact NH1-OE2 3.22Å; E420-G422 PolarHBondContact O-N 2.88Å; E420-S423 VanDerWaalsContact O-CB 3.31Å; E420-S423 WeakPolarHBondContact O-CB 3.45Å; E420-S423 PolarHBondContact O-N 3.3Å; E420-S423 PolarHBondContact O-OG 3.16Å |
| 421 | V | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 27.2 Ų | 27.2 | 52% | 0.521 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.9 | 175.2 | 178 | 0 | 0 | 0 | 0 | 110.3 | I36 Q37 | I36-V421 WeakPolarHBondContact O-CA 3.31Å; Q37-V421 WeakPolarHBondContact O-CG1 3.27Å |
| 422 | G | 98.3 | Very high | 98 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 53% | 0.526 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -9.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I36 E420 | I36-G422 PolarHBondContact O-N 3.28Å; E420-G422 PolarHBondContact O-N 2.88Å |
| 423 | S | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.7 | 152 | 171.3 | -61 | 0 | 0 | 0 | 0 | 111.6 | V35 I36 P414 R418 E420 A425 | V35-S423 WeakPolarHBondContact CA-O 3.3Å; V35-S423 WeakPolarHBondContact CG1-O 3.18Å; I36-S423 PolarHBondContact N-O 2.87Å; P414-S423 WeakPolarHBondContact O-CB 3.39Å; P414-S423 PolarHBondContact O-OG 3.49Å; R418-S423 WeakPolarHBondContact O-CB 3.49Å; R418-S423 PolarHBondContact O-OG 3.49Å; E420-S423 VanDerWaalsContact O-CB 3.31Å; E420-S423 WeakPolarHBondContact O-CB 3.45Å; E420-S423 PolarHBondContact O-N 3.3Å; E420-S423 PolarHBondContact O-OG 3.16Å; S423-A425 PolarHBondContact O-N 3.49Å |
| 424 | D | 98.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -55.1 | 134.1 | 165.9 | -68.8 | -10.2 | 0 | 0 | 0 | 108.6 | Q415 K416 D426 | Q415-D424 PolarHBondContact NE2-OD2 3.48Å; Q415-D424 VanDerWaalsContact NE2-OD2 3.12Å; Q415-D424 WeakPolarHBondContact O-CB 3.37Å; Q415-D424 PolarHBondContact O-N 3.44Å; K416-D424 WeakPolarHBondContact CE-OD2 3.35Å; K416-D424 HydrophobicContact CG-CB 4.27Å; K416-D424 WeakPolarHBondContact CG-OD2 3.28Å; K416-D424 IonicContact NZ-OD2 3.29Å; K416-D424 PolarHBondContact NZ-OD2 3.34Å; D424-D426 PolarHBondContact O-N 3.29Å |
| 425 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -78.4 | 59.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | V31 G34 I36 S423 I427 I464 R466 G467 | V31-A425 HydrophobicContact CB-CB 4.16Å; V31-A425 HydrophobicContact CG1-CB 3.31Å; V31-A425 HydrophobicContact CG2-CB 3.72Å; G34-A425 PolarHBondContact O-N 2.89Å; I36-A425 HydrophobicContact CG1-CB 3.97Å; S423-A425 PolarHBondContact O-N 3.49Å; A425-I427 HydrophobicContact CB-CD1 4.47Å; A425-I464 WeakPolarHBondContact O-CG2 3.11Å; A425-R466 PolarHBondContact O-N 3.08Å; A425-G467 PolarHBondContact O-N 3.38Å | ||
| 426 | D | 98.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | trans | -91.9 | 92.1 | 170 | -74.2 | 11.2 | 0 | 0 | 0 | 108.4 | G62 T96 K416 D424 I464 R466 | G62-D426 PolarHBondContact N-O 2.85Å; T96-D426 HydrophobicContact CG2-CB 4.19Å; T96-D426 PolarHBondContact OG1-OD2 3.02Å; K416-D426 IonicContact NZ-OD1 2.62Å; K416-D426 IonicContact NZ-OD2 3.68Å; K416-D426 PolarHBondContact NZ-OD2 2.8Å; D424-D426 PolarHBondContact O-N 3.29Å; D426-I464 CarbonylContact C-O 3.44Å; D426-I464 VanDerWaalsContact CA-O 3.25Å; D426-I464 WeakPolarHBondContact CA-O 3.48Å; D426-R466 PolarHBondContact OD1-N 3.21Å | ||
| 427 | I | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.3 | -168.4 | -56.6 | 172 | 0 | 0 | 0 | 109.9 | L13 V29 V31 I36 L59 I419 A425 I464 | L13-I427 HydrophobicContact CD1-CB 4.45Å; L13-I427 HydrophobicContact CD1-CD1 3.98Å; L13-I427 HydrophobicContact CD1-CG2 3.83Å; V29-I427 HydrophobicContact CG1-CD1 3.9Å; V31-I427 HydrophobicContact CG2-CD1 4.05Å; I36-I427 HydrophobicContact CD1-CD1 4.11Å; I36-I427 HydrophobicContact CD1-CG1 4.47Å; I36-I427 HydrophobicContact CG1-CD1 4.29Å; L59-I427 HydrophobicContact CB-CG2 4.24Å; L59-I427 HydrophobicContact CD2-CG2 4.29Å; I419-I427 HydrophobicContact CD1-CG1 4.46Å; I419-I427 HydrophobicContact CD1-CG2 4.16Å; I419-I427 HydrophobicContact CG1-CG1 4.29Å; A425-I427 HydrophobicContact CB-CD1 4.47Å; I427-I464 HydrophobicContact CB-CB 4.37Å; I427-I464 HydrophobicContact CB-CD1 4.38Å; I427-I464 PolarHBondContact N-O 3.11Å; I427-I464 WeakPolarHBondContact O-CB 3.27Å; I427-I464 PolarHBondContact O-N 2.58Å |
| 428 | L | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.2 | 170.5 | -45.9 | -178.8 | 0 | 0 | 0 | 108.9 | L59 L60 G94 T96 M380 W430 V463 | L59-L428 WeakPolarHBondContact CA-O 3.5Å; L60-L428 HydrophobicContact CB-CB 4.2Å; L60-L428 HydrophobicContact CB-CD1 4.37Å; L60-L428 PolarHBondContact N-O 2.85Å; L60-L428 PolarHBondContact O-N 3.2Å; G94-L428 WeakPolarHBondContact O-CD1 3.38Å; G94-L428 WeakPolarHBondContact O-CD2 3.09Å; T96-L428 HydrophobicContact CG2-CD2 4.35Å; M380-L428 HydrophobicContact CE-CD1 4.09Å; L428-W430 HydrophobicContact CD1-CE3 4.39Å; L428-W430 HydrophobicContact CD1-CZ3 4.48Å; L428-V463 HydrophobicContact CD2-CB 4.3Å; L428-V463 HydrophobicContact CD2-CG1 3.84Å; L428-V463 HydrophobicContact CD2-CG2 3.87Å |
| 429 | I | 98.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 102.8 | 164.7 | -59.5 | 171.9 | 0 | 0 | 0 | 106.5 | L13 I52 V54 K57 L59 E461 M462 I464 | L13-I429 HydrophobicContact CD2-CD1 4.08Å; I52-I429 HydrophobicContact CG2-CD1 4.34Å; V54-I429 HydrophobicContact CG1-CD1 3.52Å; V54-I429 HydrophobicContact CG1-CG1 3.99Å; V54-I429 HydrophobicContact CG1-CG2 3.95Å; K57-I429 HydrophobicContact CB-CG2 3.95Å; K57-I429 HydrophobicContact CD-CG2 3.42Å; K57-I429 VanDerWaalsContact CD-CG2 3.42Å; K57-I429 HydrophobicContact CG-CG2 4.31Å; L59-I429 HydrophobicContact CD2-CB 4.5Å; L59-I429 HydrophobicContact CD2-CG1 3.78Å; I429-E461 PolarHBondContact O-N 2.82Å; I429-M462 HydrophobicContact CB-CB 4.07Å; I429-M462 HydrophobicContact CD1-CB 3.97Å; I429-M462 HydrophobicContact CD1-CE 4.49Å; I429-M462 HydrophobicContact CD1-CG 4.28Å; I429-M462 HydrophobicContact CD1-SD 3.68Å; I429-M462 HydrophobicContact CG1-CB 4.33Å; I429-M462 PolarHBondContact N-O 3.09Å; I429-M462 PolarHBondContact O-N 3.32Å; I429-I464 HydrophobicContact CD1-CD1 4.28Å |
| 430 | W | 97.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.2 | -174.8 | -164 | -77.6 | 0 | 0 | 0 | 111 | L58 L60 M380 V381 W384 F398 L428 S458 G459 P460 | L58-W430 HydrophobicContact CB-CB 4.2Å; L58-W430 PolarHBondContact N-O 3.42Å; L58-W430 PolarHBondContact O-N 3.07Å; L60-W430 HydrophobicContact CD1-CB 3.91Å; L60-W430 HydrophobicContact CD1-CD2 3.9Å; L60-W430 HydrophobicContact CD1-CE3 3.75Å; L60-W430 HydrophobicContact CD1-CG 4Å; L60-W430 HydrophobicContact CG-CB 4.17Å; M380-W430 HydrophobicContact CB-CH2 4.13Å; M380-W430 HydrophobicContact CB-CZ3 4.11Å; V381-W430 HydrophobicContact CG2-CH2 4.1Å; W384-W430 HydrophobicContact CB-CH2 3.94Å; W384-W430 HydrophobicContact CB-CZ2 3.39Å; W384-W430 AromaticContact CD1-CZ2 3.89Å; W384-W430 AromaticContact CD1-NE1 3.76Å; W384-W430 AromaticContact CD2-CE2 3.72Å; W384-W430 AromaticContact CD2-CZ2 3.78Å; W384-W430 HydrophobicContact CD2-CZ2 3.78Å; W384-W430 AromaticContact CD2-NE1 3.6Å; W384-W430 AromaticContact CE2-NE1 3.47Å; W384-W430 HydrophobicContact CE3-CZ2 4.24Å; W384-W430 AromaticContact CG-CE2 3.76Å; W384-W430 HydrophobicContact CG-CH2 4.32Å; W384-W430 AromaticContact CG-CZ2 3.37Å; W384-W430 HydrophobicContact CG-CZ2 3.37Å; W384-W430 AromaticContact CG-NE1 3.81Å; W384-W430 AromaticContact NE1-NE1 3.56Å; F398-W430 HydrophobicContact CZ-CH2 4.24Å; F398-W430 HydrophobicContact CZ-CZ3 4.38Å; L428-W430 HydrophobicContact CD1-CE3 4.39Å; L428-W430 HydrophobicContact CD1-CZ3 4.48Å; W430-S458 PolarHBondContact NE1-OG 3.31Å; W430-G459 WeakPolarHBondContact CA-O 3.47Å; W430-G459 VanDerWaalsContact CE2-CA 3.47Å; W430-P460 HydrophobicContact CE3-CB 4.37Å; W430-P460 HydrophobicContact CZ3-CG 4.45Å |
| 431 | S | 95.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164.2 | -177.2 | 83.6 | 0 | 0 | 0 | 0 | 113.2 | S433 Y434 S458 G459 E461 | S431-S433 PolarHBondContact O-N 3.25Å; S431-S433 PolarHBondContact OG-N 3.49Å; S431-Y434 WeakPolarHBondContact O-CB 3.44Å; S431-S458 WeakPolarHBondContact O-CA 3.28Å; S431-S458 WeakPolarHBondContact O-CB 3.32Å; S431-G459 PolarHBondContact N-O 3.39Å; S431-G459 PolarHBondContact O-N 3.21Å; S431-G459 VanDerWaalsContact O-N 3.13Å; S431-E461 WeakPolarHBondContact CB-OE2 3.36Å; S431-E461 PolarHBondContact OG-OE2 3.08Å |
| 432 | N | 91.6 | Very high | 88.8 | Confident | 127 Ų | 127 | 47.1 Ų | 47.1 | 68% | 0.679 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.9 | 173.3 | -61.9 | -3.5 | 0 | 0 | 0 | 112.9 | Y434 Q457 S458 | N432-Y434 PolarHBondContact O-N 3.25Å; N432-Q457 WeakPolarHBondContact CA-O 3.37Å; N432-S458 WeakPolarHBondContact OD1-CB 3.37Å |
| 433 | S | 83.7 | Confident | 88.5 | Confident | 91 Ų | 91 | 45.7 Ų | 45.7 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.8 | 173 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | S431 K435 | S431-S433 PolarHBondContact O-N 3.25Å; S431-S433 PolarHBondContact OG-N 3.49Å; S433-K435 PolarHBondContact O-N 3.41Å |
| 434 | Y | 82.9 | Confident | 88.2 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | trans | -56.7 | 132.5 | 176.8 | 175.6 | -109.7 | 0 | 0 | 0 | 112.3 | V381 S431 N432 Q436 I438 L439 G459 P460 | V381-Y434 HydrophobicContact CG1-CE1 4.32Å; S431-Y434 WeakPolarHBondContact O-CB 3.44Å; N432-Y434 PolarHBondContact O-N 3.25Å; Y434-Q436 HydrophobicContact CE1-CB 4.24Å; Y434-Q436 PolarHBondContact O-N 3.31Å; Y434-I438 HydrophobicContact CE2-CD1 3.94Å; Y434-L439 HydrophobicContact CE1-CD1 4.29Å; Y434-L439 WeakPolarHBondContact OH-CD2 3.32Å; Y434-L439 VanDerWaalsContact OH-CG 3.22Å; Y434-L439 WeakPolarHBondContact OH-CG 3.45Å; Y434-G459 VanDerWaalsContact CB-N 3.35Å; Y434-G459 VanDerWaalsContact CG-CA 3.45Å; Y434-P460 HydrophobicContact CE2-CG 4.37Å | ||
| 435 | K | 79.4 | Confident | 88 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | trans | -92.1 | 98.1 | 176.8 | -66 | -174.9 | -178.9 | 179.1 | 0 | 110.2 | S433 E437 I438 | S433-K435 PolarHBondContact O-N 3.41Å; K435-E437 PolarHBondContact O-N 3.24Å; K435-I438 HydrophobicContact CB-CD1 4.43Å; K435-I438 WeakPolarHBondContact O-CD1 3.3Å; K435-I438 VanDerWaalsContact O-CG1 3.26Å; K435-I438 WeakPolarHBondContact O-CG1 3.36Å; K435-I438 PolarHBondContact O-N 3.45Å | ||
| 436 | Q | 77.8 | Confident | 87.8 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -59.1 | -19.2 | 178.9 | 64.7 | 175.6 | -7.7 | 0 | 0 | 114.8 | Y434 I438 L439 S455 Y456 | Y434-Q436 HydrophobicContact CE1-CB 4.24Å; Y434-Q436 PolarHBondContact O-N 3.31Å; Q436-I438 PolarHBondContact O-N 3.07Å; Q436-I438 VanDerWaalsContact O-N 3.12Å; Q436-L439 WeakPolarHBondContact O-CB 3.47Å; Q436-L439 PolarHBondContact O-N 2.67Å; Q436-S455 VanDerWaalsContact OE1-CA 3.28Å; Q436-Y456 VanDerWaalsContact OE1-N 3.09Å |
| 437 | E | 78.8 | Confident | 87.7 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -56.5 | -26.5 | 177.2 | -65.5 | 175.8 | 178.3 | 0 | 0 | 112.8 | K435 L439 K440 | K435-E437 PolarHBondContact O-N 3.24Å; E437-L439 VanDerWaalsContact C-N 3.28Å; E437-L439 PolarHBondContact O-N 2.91Å; E437-K440 WeakPolarHBondContact O-CB 3.3Å; E437-K440 PolarHBondContact O-N 3.4Å; E437-K440 VanDerWaalsContact O-N 3.16Å |
| 438 | I | 74 | Confident | 87.5 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -53.6 | -47 | 174.4 | -62.4 | 163.4 | 0 | 0 | 0 | 110.7 | F92 Y434 K435 Q436 K440 N441 I442 S474 | F92-I438 HydrophobicContact CB-CG2 3.89Å; F92-I438 HydrophobicContact CD1-CG2 3.53Å; F92-I438 HydrophobicContact CD2-CG2 4.48Å; F92-I438 HydrophobicContact CE1-CG2 4.14Å; F92-I438 HydrophobicContact CG-CG2 3.74Å; Y434-I438 HydrophobicContact CE2-CD1 3.94Å; K435-I438 HydrophobicContact CB-CD1 4.43Å; K435-I438 WeakPolarHBondContact O-CD1 3.3Å; K435-I438 VanDerWaalsContact O-CG1 3.26Å; K435-I438 WeakPolarHBondContact O-CG1 3.36Å; K435-I438 PolarHBondContact O-N 3.45Å; Q436-I438 PolarHBondContact O-N 3.07Å; Q436-I438 VanDerWaalsContact O-N 3.12Å; I438-K440 PolarHBondContact O-N 3.49Å; I438-N441 PolarHBondContact O-N 2.62Å; I438-I442 HydrophobicContact CG2-CG2 3.81Å; I438-I442 VanDerWaalsContact O-CG2 3.31Å; I438-I442 WeakPolarHBondContact O-CG2 3.17Å; I438-I442 PolarHBondContact O-N 3.39Å; I438-S474 VanDerWaalsContact CD1-CA 3.49Å; I438-S474 VanDerWaalsContact CD1-OG 3.25Å; I438-S474 WeakPolarHBondContact CD1-OG 3.39Å; I438-S474 VanDerWaalsContact CG1-OG 3.22Å; I438-S474 WeakPolarHBondContact CG1-OG 3.48Å |
| 439 | L | 76.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -63.2 | -17.7 | -175.1 | -64.4 | 175.5 | 0 | 0 | 0 | 113.3 | V381 Y434 Q436 E437 N441 I442 N449 Y456 | V381-L439 HydrophobicContact CG1-CD1 4.15Å; Y434-L439 HydrophobicContact CE1-CD1 4.29Å; Y434-L439 WeakPolarHBondContact OH-CD2 3.32Å; Y434-L439 VanDerWaalsContact OH-CG 3.22Å; Y434-L439 WeakPolarHBondContact OH-CG 3.45Å; Q436-L439 WeakPolarHBondContact O-CB 3.47Å; Q436-L439 PolarHBondContact O-N 2.67Å; E437-L439 VanDerWaalsContact C-N 3.28Å; E437-L439 PolarHBondContact O-N 2.91Å; L439-N441 VanDerWaalsContact C-N 3.32Å; L439-I442 HydrophobicContact CD2-CD1 3.76Å; L439-N449 PolarHBondContact O-ND2 3.35Å; L439-N449 VanDerWaalsContact O-ND2 3.13Å; L439-Y456 HydrophobicContact CD1-CD2 3.44Å; L439-Y456 VanDerWaalsContact CD1-CD2 3.44Å; L439-Y456 HydrophobicContact CD1-CE2 3.83Å; L439-Y456 HydrophobicContact CD1-CG 4.29Å |
| 440 | K | 75 | Confident | 87 | Confident | 149 Ų | 149 | 61 Ų | 61 | 65% | 0.648 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -72.5 | -27.6 | 174.9 | -61.8 | -177.8 | 178 | 177.8 | 0 | 112.5 | E437 I438 | E437-K440 WeakPolarHBondContact O-CB 3.3Å; E437-K440 PolarHBondContact O-N 3.4Å; E437-K440 VanDerWaalsContact O-N 3.16Å; I438-K440 PolarHBondContact O-N 3.49Å |
| 441 | N | 76.7 | Confident | 86.8 | Confident | 143 Ų | 143 | 60.9 Ų | 60.9 | 77% | 0.765 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -115.2 | 6.3 | -171 | -61.2 | -17.7 | 0 | 0 | 0 | 113.5 | I438 L439 L443 | I438-N441 PolarHBondContact O-N 2.62Å; L439-N441 VanDerWaalsContact C-N 3.32Å; N441-L443 VanDerWaalsContact C-N 3.35Å |
| 442 | I | 87.7 | Confident | 86.4 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -78 | -18.7 | -179.9 | 61.3 | 170.2 | 0 | 0 | 0 | 113.7 | A89 F92 I438 L439 | A89-I442 HydrophobicContact CB-CB 4.22Å; F92-I442 HydrophobicContact CB-CG2 3.8Å; F92-I442 HydrophobicContact CD2-CG2 3.89Å; F92-I442 HydrophobicContact CG-CG2 4.05Å; I438-I442 HydrophobicContact CG2-CG2 3.81Å; I438-I442 VanDerWaalsContact O-CG2 3.31Å; I438-I442 WeakPolarHBondContact O-CG2 3.17Å; I438-I442 PolarHBondContact O-N 3.39Å; L439-I442 HydrophobicContact CD2-CD1 3.76Å |
| 443 | L | 93 | Very high | 86.1 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -97.5 | 149.9 | -177.6 | -58 | -175.3 | 0 | 0 | 0 | 110.3 | A374 N441 V447 N449 | A374-L443 HydrophobicContact CB-CD1 4.02Å; A374-L443 HydrophobicContact CB-CD2 3.71Å; A374-L443 HydrophobicContact CB-CG 4.48Å; N441-L443 VanDerWaalsContact C-N 3.35Å; L443-V447 HydrophobicContact CB-CB 4.33Å; L443-V447 HydrophobicContact CB-CG1 4.41Å; L443-V447 HydrophobicContact CD1-CG1 4.24Å; L443-N449 HydrophobicContact CD1-CB 3.84Å |
| 444 | P | 92.8 | Very high | 86.3 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -58 | 156.2 | 170.7 | -22.5 | 32.6 | 0 | 0 | 0 | 112.4 | A80 D81 V447 | A80-P444 HydrophobicContact CB-CG 4.5Å; D81-P444 HydrophobicContact CB-CG 4.36Å; D81-P444 VanDerWaalsContact CG-CG 3.48Å; D81-P444 WeakPolarHBondContact OD1-CD 3.3Å; D81-P444 WeakPolarHBondContact OD1-CG 3.4Å; P444-V447 HydrophobicContact CB-CG2 3.87Å; P444-V447 HydrophobicContact CG-CG2 4.11Å; P444-V447 WeakPolarHBondContact O-CB 3.42Å; P444-V447 PolarHBondContact O-N 3.41Å; P444-V447 VanDerWaalsContact O-N 3.17Å |
| 445 | D | 92.8 | Very high | 86.7 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 82% | 0.824 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 142.9 | 173.3 | -67.1 | -27.5 | 0 | 0 | 0 | 111.2 | V447 | D445-V447 PolarHBondContact O-N 3.08Š|
| 446 | D | 94.3 | Very high | 87.3 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 1.7 | -179.3 | -165.1 | 45.4 | 0 | 0 | 0 | 115.9 | T354 T355 A356 P448 | T354-D446 WeakPolarHBondContact CA-O 3.08Å; T354-D446 WeakPolarHBondContact CB-OD2 3.27Å; T354-D446 HydrophobicContact CG2-CB 4.34Å; T355-D446 VanDerWaalsContact CB-OD1 3.28Å; T355-D446 WeakPolarHBondContact CB-OD1 3.48Å; T355-D446 PolarHBondContact N-O 3.27Å; T355-D446 PolarHBondContact N-OD2 3.48Å; T355-D446 VanDerWaalsContact N-OD2 3.17Å; T355-D446 PolarHBondContact OG1-O 3.25Å; T355-D446 VanDerWaalsContact OG1-O 3.06Å; T355-D446 PolarHBondContact OG1-OD1 3.14Å; A356-D446 VanDerWaalsContact CB-OD2 3.29Å; A356-D446 WeakPolarHBondContact CB-OD2 3.48Å; A356-D446 PolarHBondContact N-OD2 2.96Å; D446-P448 WeakPolarHBondContact O-CD 3.36Å |
| 447 | V | 96.4 | Very high | 87.8 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -81.1 | 121.3 | 168.5 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | A80 A352 T354 A374 L443 P444 D445 N449 | A80-V447 HydrophobicContact CB-CG2 3.46Å; A80-V447 VanDerWaalsContact CB-CG2 3.46Å; A352-V447 HydrophobicContact CB-CG1 4.09Å; A352-V447 HydrophobicContact CB-CG2 4.32Å; T354-V447 HydrophobicContact CG2-CG2 3.93Å; A374-V447 HydrophobicContact CB-CG1 3.6Å; L443-V447 HydrophobicContact CB-CB 4.33Å; L443-V447 HydrophobicContact CB-CG1 4.41Å; L443-V447 HydrophobicContact CD1-CG1 4.24Å; P444-V447 HydrophobicContact CB-CG2 3.87Å; P444-V447 HydrophobicContact CG-CG2 4.11Å; P444-V447 WeakPolarHBondContact O-CB 3.42Å; P444-V447 PolarHBondContact O-N 3.41Å; P444-V447 VanDerWaalsContact O-N 3.17Å; D445-V447 PolarHBondContact O-N 3.08Å; V447-N449 PolarHBondContact O-N 3.48Å | ||
| 448 | P | 94.7 | Very high | 88.5 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -62.9 | 132.5 | -180 | -24.2 | 34.9 | 0 | 0 | 0 | 113 | D446 L450 | D446-P448 WeakPolarHBondContact O-CD 3.36Å; P448-L450 HydrophobicContact CB-CD2 4.13Å | ||
| 449 | N | 93.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | trans | -94.5 | 99 | 169.8 | -171.9 | -10.4 | 0 | 0 | 0 | 110.6 | H378 L439 L443 V447 F451 S452 | H378-N449 PolarHBondContact CE1-ND2 3.01Å; H378-N449 PolarHBondContact CE1-OD1 2.94Å; H378-N449 PolarHBondContact NE2-ND2 3.25Å; H378-N449 PolarHBondContact NE2-OD1 3.4Å; L439-N449 PolarHBondContact O-ND2 3.35Å; L439-N449 VanDerWaalsContact O-ND2 3.13Å; L443-N449 HydrophobicContact CD1-CB 3.84Å; V447-N449 PolarHBondContact O-N 3.48Å; N449-F451 PolarHBondContact O-N 3.46Å; N449-F451 WeakPolarHBondContact OD1-CB 3.48Å; N449-F451 PolarHBondContact OD1-N 3.22Å; N449-S452 PolarHBondContact O-OG 3.49Å | ||
| 450 | L | 92.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1 | -179.6 | -52 | -173.4 | 0 | 0 | 0 | 114.2 | V291 S317 Y318 I373 P448 | V291-L450 HydrophobicContact CG2-CB 4.1Å; S317-L450 VanDerWaalsContact OG-CD2 3.25Å; S317-L450 WeakPolarHBondContact OG-CD2 3.38Å; Y318-L450 HydrophobicContact CD1-CD1 3.7Å; Y318-L450 HydrophobicContact CD1-CD2 4.17Å; Y318-L450 HydrophobicContact CD1-CG 4.45Å; Y318-L450 HydrophobicContact CE1-CB 4.29Å; Y318-L450 HydrophobicContact CE1-CD1 3.95Å; Y318-L450 HydrophobicContact CE1-CD2 3.85Å; Y318-L450 HydrophobicContact CE1-CG 4.25Å; Y318-L450 HydrophobicContact CG-CD1 4.5Å; I373-L450 HydrophobicContact CB-CD1 4.42Å; I373-L450 HydrophobicContact CD1-CD1 3.91Å; I373-L450 HydrophobicContact CG1-CD1 3.81Å; I373-L450 HydrophobicContact CG2-CD1 3.82Å; I373-L450 HydrophobicContact CG2-CG 4.5Å; P448-L450 HydrophobicContact CB-CD2 4.13Å |
| 451 | F | 91.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 4 | -177.8 | -59.8 | -88.3 | 0 | 0 | 0 | 111.8 | I286 P287 A290 V291 I373 H378 A382 N449 N453 T454 Y456 | I286-F451 HydrophobicContact CG1-CE1 4.32Å; I286-F451 HydrophobicContact CG2-CE1 4.42Å; I286-F451 HydrophobicContact CG2-CZ 4.17Å; P287-F451 HydrophobicContact CG-CZ 4.32Å; A290-F451 HydrophobicContact CB-CD1 4.2Å; A290-F451 HydrophobicContact CB-CE1 3.85Å; V291-F451 HydrophobicContact CG2-CE1 4.28Å; V291-F451 HydrophobicContact CG2-CZ 4.3Å; I373-F451 HydrophobicContact CG2-CE2 4.31Å; H378-F451 HydrophobicContact CB-CB 4.31Å; H378-F451 HydrophobicContact CB-CD1 3.97Å; H378-F451 HydrophobicContact CB-CD2 3.78Å; H378-F451 HydrophobicContact CB-CE1 4.21Å; H378-F451 HydrophobicContact CB-CE2 4.06Å; H378-F451 HydrophobicContact CB-CG 3.75Å; H378-F451 HydrophobicContact CB-CZ 4.27Å; H378-F451 VanDerWaalsContact CD2-CB 3.4Å; H378-F451 WeakPolarHBondContact CD2-CB 3.37Å; H378-F451 AromaticContact CD2-CG 3.81Å; H378-F451 AromaticContact CG-CD2 3.57Å; H378-F451 AromaticContact CG-CG 3.64Å; H378-F451 AromaticContact ND1-CD2 3.65Å; A382-F451 HydrophobicContact CB-CD1 4.16Å; A382-F451 HydrophobicContact CB-CE1 4.32Å; N449-F451 PolarHBondContact O-N 3.46Å; N449-F451 WeakPolarHBondContact OD1-CB 3.48Å; N449-F451 PolarHBondContact OD1-N 3.22Å; F451-N453 VanDerWaalsContact C-N 3.28Å; F451-N453 PolarHBondContact O-N 3.15Å; F451-T454 PolarHBondContact O-N 3.18Å; F451-Y456 WeakPolarHBondContact CB-OH 3.48Å; F451-Y456 PolarHBondContact O-OH 2.93Å |
| 452 | S | 87.8 | Confident | 92.2 | Very high | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.1 | -173.9 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | N449 T454 | N449-S452 PolarHBondContact O-OG 3.49Å; S452-T454 PolarHBondContact O-N 3.15Å |
| 453 | N | 85.1 | Confident | 92.6 | Very high | 101 Ų | 101 | 40.5 Ų | 40.5 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.5 | -177 | -65.4 | -12 | 0 | 0 | 0 | 113 | F451 | F451-N453 VanDerWaalsContact C-N 3.28Å; F451-N453 PolarHBondContact O-N 3.15Å |
| 454 | T | 89 | Confident | 92.8 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -115.1 | 132.7 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 110 | S294 H385 F386 F451 S452 Y456 | S294-T454 VanDerWaalsContact CB-OG1 3.31Å; S294-T454 WeakPolarHBondContact CB-OG1 3.2Å; H385-T454 WeakPolarHBondContact NE2-CG2 3.09Å; F386-T454 HydrophobicContact CE2-CG2 4.15Å; F386-T454 HydrophobicContact CZ-CG2 3.81Å; F386-T454 WeakPolarHBondContact CZ-OG1 3.43Å; F451-T454 PolarHBondContact O-N 3.18Å; S452-T454 PolarHBondContact O-N 3.15Å; T454-Y456 HydrophobicContact CG2-CD1 3.99Å; T454-Y456 HydrophobicContact CG2-CE1 3.55Å |
| 455 | S | 90.3 | Very high | 93 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 59% | 0.594 | 21% | 0.212 | S | C | * | . | trans | -91.9 | 120.2 | 169.9 | -66 | 0 | 0 | 0 | 0 | 109.5 | Q436 | Q436-S455 VanDerWaalsContact OE1-CA 3.28Š| ||
| 456 | Y | 91.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | trans | -94.7 | 120.3 | -176.5 | -60.4 | -70.2 | 0 | 0 | 0 | 110.1 | V381 A382 H385 Q436 L439 F451 T454 | V381-Y456 HydrophobicContact CG1-CD1 3.73Å; V381-Y456 HydrophobicContact CG1-CD2 4.13Å; V381-Y456 HydrophobicContact CG1-CE1 4.46Å; V381-Y456 HydrophobicContact CG1-CG 3.52Å; A382-Y456 HydrophobicContact CB-CE1 4.06Å; H385-Y456 HydrophobicContact CB-CD1 3.73Å; H385-Y456 HydrophobicContact CB-CE1 4.05Å; H385-Y456 AromaticContact CG-CD1 3.97Å; Q436-Y456 VanDerWaalsContact OE1-N 3.09Å; L439-Y456 HydrophobicContact CD1-CD2 3.44Å; L439-Y456 VanDerWaalsContact CD1-CD2 3.44Å; L439-Y456 HydrophobicContact CD1-CE2 3.83Å; L439-Y456 HydrophobicContact CD1-CG 4.29Å; F451-Y456 WeakPolarHBondContact CB-OH 3.48Å; F451-Y456 PolarHBondContact O-OH 2.93Å; T454-Y456 HydrophobicContact CG2-CD1 3.99Å; T454-Y456 HydrophobicContact CG2-CE1 3.55Å | ||
| 457 | Q | 89.4 | Confident | 93.2 | Very high | 132 Ų | 132 | 27.9 Ų | 27.9 | 62% | 0.617 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -81.2 | -24.9 | -173.6 | -63.9 | -173.8 | -11.8 | 0 | 0 | 113.3 | N432 | N432-Q457 WeakPolarHBondContact CA-O 3.37Š|
| 458 | S | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | trans | -143.2 | 160.1 | -178 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | W384 E389 W430 S431 N432 | W384-S458 PolarHBondContact NE1-OG 3.34Å; E389-S458 WeakPolarHBondContact OE1-CB 3.27Å; E389-S458 PolarHBondContact OE1-OG 2.9Å; W430-S458 PolarHBondContact NE1-OG 3.31Å; S431-S458 WeakPolarHBondContact O-CA 3.28Å; S431-S458 WeakPolarHBondContact O-CB 3.32Å; N432-S458 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 459 | G | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -177.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W430 S431 Y434 E461 | W430-G459 WeakPolarHBondContact CA-O 3.47Å; W430-G459 VanDerWaalsContact CE2-CA 3.47Å; S431-G459 PolarHBondContact N-O 3.39Å; S431-G459 PolarHBondContact O-N 3.21Å; S431-G459 VanDerWaalsContact O-N 3.13Å; Y434-G459 VanDerWaalsContact CB-N 3.35Å; Y434-G459 VanDerWaalsContact CG-CA 3.45Å; G459-E461 PolarHBondContact O-N 3.2Å; G459-E461 VanDerWaalsContact O-N 3.13Å |
| 460 | P | 95.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 103.8 | 176.9 | 30.3 | -33.3 | 0 | 0 | 0 | 110.5 | F92 W430 Y434 M462 V463 | F92-P460 WeakPolarHBondContact O-CG 3.12Å; W430-P460 HydrophobicContact CE3-CB 4.37Å; W430-P460 HydrophobicContact CZ3-CG 4.45Å; Y434-P460 HydrophobicContact CE2-CG 4.37Å; P460-M462 VanDerWaalsContact C-N 3.32Å; P460-V463 HydrophobicContact CB-CG2 3.73Å; P460-V463 HydrophobicContact CG-CG2 4.42Å |
| 461 | E | 94.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 27.6 Ų | 27.6 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -35.8 | 173.5 | -174.6 | -169.2 | 136 | 0 | 0 | 111.2 | K57 I429 S431 G459 N473 | K57-E461 VanDerWaalsContact CE-OE2 3.27Å; K57-E461 WeakPolarHBondContact CE-OE2 2.98Å; K57-E461 IonicContact NZ-OE1 3.69Å; K57-E461 PolarHBondContact NZ-OE1 3.42Å; K57-E461 IonicContact NZ-OE2 3.56Å; K57-E461 PolarHBondContact NZ-OE2 3.31Å; I429-E461 PolarHBondContact O-N 2.82Å; S431-E461 WeakPolarHBondContact CB-OE2 3.36Å; S431-E461 PolarHBondContact OG-OE2 3.08Å; G459-E461 PolarHBondContact O-N 3.2Å; G459-E461 VanDerWaalsContact O-N 3.13Å; E461-N473 PolarHBondContact O-N 3.33Å |
| 462 | M | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 141.1 | 175.4 | -172.1 | -175.6 | -66.5 | 0 | 0 | 109.9 | I52 I429 P460 I464 I469 V471 K472 | I52-M462 HydrophobicContact CD1-CE 4Å; I52-M462 HydrophobicContact CD1-SD 3.82Å; I52-M462 HydrophobicContact CG2-CE 4.46Å; I429-M462 HydrophobicContact CB-CB 4.07Å; I429-M462 HydrophobicContact CD1-CB 3.97Å; I429-M462 HydrophobicContact CD1-CE 4.49Å; I429-M462 HydrophobicContact CD1-CG 4.28Å; I429-M462 HydrophobicContact CD1-SD 3.68Å; I429-M462 HydrophobicContact CG1-CB 4.33Å; I429-M462 PolarHBondContact N-O 3.09Å; I429-M462 PolarHBondContact O-N 3.32Å; P460-M462 VanDerWaalsContact C-N 3.32Å; M462-I464 HydrophobicContact CG-CG1 4.38Å; M462-I464 HydrophobicContact SD-CD1 4.41Å; M462-I464 HydrophobicContact SD-CG1 4.27Å; M462-I469 HydrophobicContact CE-CD1 4.36Å; M462-I469 HydrophobicContact CG-CG2 3.86Å; M462-I469 HydrophobicContact SD-CD1 3.96Å; M462-I469 HydrophobicContact SD-CG1 3.96Å; M462-I469 HydrophobicContact SD-CG2 4.02Å; M462-V471 CarbonylContact C-O 3.59Å; M462-V471 VanDerWaalsContact CA-O 3.24Å; M462-V471 WeakPolarHBondContact CA-O 3.36Å; M462-V471 WeakPolarHBondContact CG-O 3.24Å; M462-K472 HydrophobicContact CE-CB 4.46Å; M462-K472 HydrophobicContact CE-CD 3.89Å; M462-K472 HydrophobicContact CE-CG 3.85Å |
| 463 | V | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.4 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | L91 T96 L428 P460 A470 V471 | L91-V463 HydrophobicContact CD2-CG1 3.98Å; L91-V463 VanDerWaalsContact O-CG2 3.29Å; L91-V463 WeakPolarHBondContact O-CG2 3.38Å; T96-V463 HydrophobicContact CG2-CG1 3.82Å; L428-V463 HydrophobicContact CD2-CB 4.3Å; L428-V463 HydrophobicContact CD2-CG1 3.84Å; L428-V463 HydrophobicContact CD2-CG2 3.87Å; P460-V463 HydrophobicContact CB-CG2 3.73Å; P460-V463 HydrophobicContact CG-CG2 4.42Å; V463-A470 PolarHBondContact O-N 3.43Å; V463-V471 HydrophobicContact CB-CB 4.03Å; V463-V471 HydrophobicContact CB-CG2 4.37Å; V463-V471 HydrophobicContact CG2-CB 4.26Å; V463-V471 PolarHBondContact N-O 2.9Å; V463-V471 PolarHBondContact O-N 3.37Å |
| 464 | I | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.7 | 177.6 | -57.4 | 165.3 | 0 | 0 | 0 | 106.6 | L11 L13 A425 D426 I427 I429 M462 G467 H468 I469 | L11-I464 HydrophobicContact CD2-CD1 3.78Å; L11-I464 HydrophobicContact CD2-CG1 4.47Å; L11-I464 HydrophobicContact CD2-CG2 4.43Å; L13-I464 HydrophobicContact CD1-CD1 3.84Å; L13-I464 HydrophobicContact CD2-CD1 3.89Å; L13-I464 HydrophobicContact CG-CD1 4.4Å; A425-I464 WeakPolarHBondContact O-CG2 3.11Å; D426-I464 CarbonylContact C-O 3.44Å; D426-I464 VanDerWaalsContact CA-O 3.25Å; D426-I464 WeakPolarHBondContact CA-O 3.48Å; I427-I464 HydrophobicContact CB-CB 4.37Å; I427-I464 HydrophobicContact CB-CD1 4.38Å; I427-I464 PolarHBondContact N-O 3.11Å; I427-I464 WeakPolarHBondContact O-CB 3.27Å; I427-I464 PolarHBondContact O-N 2.58Å; I429-I464 HydrophobicContact CD1-CD1 4.28Å; M462-I464 HydrophobicContact CG-CG1 4.38Å; M462-I464 HydrophobicContact SD-CD1 4.41Å; M462-I464 HydrophobicContact SD-CG1 4.27Å; I464-G467 VanDerWaalsContact CG2-C 3.49Å; I464-G467 VanDerWaalsContact CG2-CA 3.42Å; I464-H468 CarbonylContact C-O 3.52Å; I464-H468 WeakPolarHBondContact CA-O 3.31Å; I464-I469 HydrophobicContact CG1-CG1 4.47Å |
| 465 | L | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.1 | 176.8 | 177.4 | 69 | 0 | 0 | 0 | 107.9 | L91 T96 A126 G467 H468 A470 | L91-L465 HydrophobicContact CD2-CD2 4.47Å; T96-L465 HydrophobicContact CG2-CD1 4.36Å; A126-L465 VanDerWaalsContact O-CD2 3.27Å; A126-L465 WeakPolarHBondContact O-CD2 3.48Å; L465-G467 PolarHBondContact O-N 3.02Å; L465-H468 PolarHBondContact N-O 2.9Å; L465-H468 PolarHBondContact O-N 3.27Å; L465-A470 HydrophobicContact CB-CB 4.17Å |
| 466 | R | 95.9 | Very high | 92.4 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 50.3 | -175 | -53.2 | 178.9 | -53.4 | -82.5 | -5.5 | 111.8 | G34 D128 A425 D426 H468 S481 C483 | G34-R466 WeakPolarHBondContact CA-O 3.45Å; D128-R466 VanDerWaalsContact CG-NH1 3.25Å; D128-R466 IonicContact OD1-CZ 2.73Å; D128-R466 IonicContact OD1-NH1 3.68Å; D128-R466 PolarHBondContact OD1-NH1 3.24Å; D128-R466 IonicContact OD2-NH1 3.53Å; D128-R466 PolarHBondContact OD2-NH1 3.4Å; A425-R466 PolarHBondContact O-N 3.08Å; D426-R466 PolarHBondContact OD1-N 3.21Å; R466-H468 PolarHBondContact O-CD2 2.98Å; R466-H468 VanDerWaalsContact O-CD2 3.25Å; R466-H468 PolarHBondContact O-N 3.16Å; R466-S481 PolarHBondContact NH2-O 2.93Å; R466-C483 PolarHBondContact NH2-O 3.27Å |
| 467 | G | 94.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A425 I464 L465 | A425-G467 PolarHBondContact O-N 3.38Å; I464-G467 VanDerWaalsContact CG2-C 3.49Å; I464-G467 VanDerWaalsContact CG2-CA 3.42Å; L465-G467 PolarHBondContact O-N 3.02Å |
| 468 | H | 94.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 19% | 0.19 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.8 | 173.8 | -60.8 | -83 | 0 | 0 | 0 | 110.8 | I464 L465 R466 A470 S481 T482 | I464-H468 CarbonylContact C-O 3.52Å; I464-H468 WeakPolarHBondContact CA-O 3.31Å; L465-H468 PolarHBondContact N-O 2.9Å; L465-H468 PolarHBondContact O-N 3.27Å; R466-H468 PolarHBondContact O-CD2 2.98Å; R466-H468 VanDerWaalsContact O-CD2 3.25Å; R466-H468 PolarHBondContact O-N 3.16Å; H468-A470 PolarHBondContact O-N 2.67Å; H468-S481 PolarHBondContact CE1-OG 3.39Å; H468-S481 PolarHBondContact ND1-OG 2.92Å; H468-S481 VanDerWaalsContact ND1-OG 3.08Å; H468-T482 HydrophobicContact CB-CG2 3.75Å |
| 469 | I | 94.4 | Very high | 90.3 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.195 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 106.1 | 172.8 | -57.2 | 173.2 | 0 | 0 | 0 | 108.4 | I52 M462 I464 K472 S477 | I52-I469 HydrophobicContact CD1-CD1 3.83Å; M462-I469 HydrophobicContact CE-CD1 4.36Å; M462-I469 HydrophobicContact CG-CG2 3.86Å; M462-I469 HydrophobicContact SD-CD1 3.96Å; M462-I469 HydrophobicContact SD-CG1 3.96Å; M462-I469 HydrophobicContact SD-CG2 4.02Å; I464-I469 HydrophobicContact CG1-CG1 4.47Å; I469-K472 HydrophobicContact CG2-CB 3.91Å; I469-S477 WeakPolarHBondContact O-CB 3.01Å; I469-S477 PolarHBondContact O-OG 3.23Å |
| 470 | A | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -36.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L91 V463 L465 H468 S477 T482 | L91-A470 HydrophobicContact CD1-CB 4.17Å; L91-A470 HydrophobicContact CD2-CB 4.5Å; V463-A470 PolarHBondContact O-N 3.43Å; L465-A470 HydrophobicContact CB-CB 4.17Å; H468-A470 PolarHBondContact O-N 2.67Å; A470-S477 PolarHBondContact O-N 3.15Å; A470-T482 HydrophobicContact CB-CG2 4.17Å |
| 471 | V | 92.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.5 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | L91 F92 M462 V463 E475 F476 | L91-V471 HydrophobicContact CB-CG2 3.98Å; F92-V471 HydrophobicContact CD1-CG1 3.74Å; F92-V471 HydrophobicContact CD1-CG2 4.09Å; F92-V471 HydrophobicContact CE1-CG1 3.91Å; F92-V471 HydrophobicContact CE1-CG2 4.32Å; M462-V471 CarbonylContact C-O 3.59Å; M462-V471 VanDerWaalsContact CA-O 3.24Å; M462-V471 WeakPolarHBondContact CA-O 3.36Å; M462-V471 WeakPolarHBondContact CG-O 3.24Å; V463-V471 HydrophobicContact CB-CB 4.03Å; V463-V471 HydrophobicContact CB-CG2 4.37Å; V463-V471 HydrophobicContact CG2-CB 4.26Å; V463-V471 PolarHBondContact N-O 2.9Å; V463-V471 PolarHBondContact O-N 3.37Å; V471-E475 WeakPolarHBondContact CA-O 3.35Å; V471-F476 HydrophobicContact CG2-CD2 4.29Å |
| 472 | K | 91.6 | Very high | 86 | Confident | 93 Ų | 93 | 45.8 Ų | 45.8 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 125 | 172.1 | -178.8 | 176.7 | -174.7 | 174.3 | 0 | 110.2 | M462 I469 S474 E475 | M462-K472 HydrophobicContact CE-CB 4.46Å; M462-K472 HydrophobicContact CE-CD 3.89Å; M462-K472 HydrophobicContact CE-CG 3.85Å; I469-K472 HydrophobicContact CG2-CB 3.91Å; K472-S474 PolarHBondContact O-N 3.24Å; K472-S474 VanDerWaalsContact O-N 3.11Å; K472-E475 PolarHBondContact N-O 3.05Å; K472-E475 PolarHBondContact O-N 2.85Å |
| 473 | N | 82.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.6 | 172.1 | -69.8 | -30.5 | 0 | 0 | 0 | 115.1 | E461 | E461-N473 PolarHBondContact O-N 3.33Š|
| 474 | S | 77.1 | Confident | 85.3 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -4.2 | -174.8 | -37.7 | 0 | 0 | 0 | 0 | 116.4 | F92 I438 K472 | F92-S474 WeakPolarHBondContact CE1-O 3.38Å; I438-S474 VanDerWaalsContact CD1-CA 3.49Å; I438-S474 VanDerWaalsContact CD1-OG 3.25Å; I438-S474 WeakPolarHBondContact CD1-OG 3.39Å; I438-S474 VanDerWaalsContact CG1-OG 3.22Å; I438-S474 WeakPolarHBondContact CG1-OG 3.48Å; K472-S474 PolarHBondContact O-N 3.24Å; K472-S474 VanDerWaalsContact O-N 3.11Å |
| 475 | E | 88.3 | Confident | 85.3 | Confident | 153 Ų | 153 | 53.8 Ų | 53.8 | 72% | 0.715 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132 | -179.6 | -64.8 | 179.1 | -178.2 | 0 | 0 | 110.4 | V471 K472 | V471-E475 WeakPolarHBondContact CA-O 3.35Å; K472-E475 PolarHBondContact N-O 3.05Å; K472-E475 PolarHBondContact O-N 2.85Å |
| 476 | F | 89.4 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.8 | 170.5 | -175 | -94.2 | 0 | 0 | 0 | 109.6 | K88 L91 F92 A126 V471 | K88-F476 HydrophobicContact CD-CD1 4.35Å; K88-F476 HydrophobicContact CD-CD2 4.48Å; K88-F476 HydrophobicContact CD-CG 4.32Å; K88-F476 HydrophobicContact CG-CD1 4.41Å; K88-F476 HydrophobicContact CG-CD2 3.86Å; K88-F476 HydrophobicContact CG-CE1 4.33Å; K88-F476 HydrophobicContact CG-CE2 3.76Å; K88-F476 HydrophobicContact CG-CG 4.19Å; K88-F476 HydrophobicContact CG-CZ 4.01Å; L91-F476 HydrophobicContact CD1-CE2 3.73Å; L91-F476 HydrophobicContact CD1-CZ 4.48Å; F92-F476 HydrophobicContact CE2-CB 4.47Å; F92-F476 HydrophobicContact CZ-CB 3.86Å; A126-F476 HydrophobicContact CB-CE2 4.03Å; A126-F476 HydrophobicContact CB-CZ 3.75Å; V471-F476 HydrophobicContact CG2-CD2 4.29Å |
| 477 | S | 86.5 | Confident | 85.4 | Confident | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 128.1 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | I469 A470 N479 | I469-S477 WeakPolarHBondContact O-CB 3.01Å; I469-S477 PolarHBondContact O-OG 3.23Å; A470-S477 PolarHBondContact O-N 3.15Å; S477-N479 PolarHBondContact O-N 3.29Å |
| 478 | N | 74.2 | Confident | 85.5 | Confident | 155 Ų | 155 | 60.5 Ų | 60.5 | 83% | 0.829 | 33% | 0.326 | S | S | * | . | trans | -81.1 | 13 | 176.1 | -70.8 | -25.6 | 0 | 0 | 0 | 113.4 | ||||
| 479 | N | 70.3 | Confident | 85.7 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | trans | -79.3 | 130.2 | -176 | -166.7 | -16.5 | 0 | 0 | 0 | 111.1 | S477 S481 T482 | S477-N479 PolarHBondContact O-N 3.29Å; N479-S481 PolarHBondContact ND2-OG 3.03Å; N479-S481 VanDerWaalsContact ND2-OG 3.15Å; N479-S481 PolarHBondContact O-N 2.92Å; N479-S481 VanDerWaalsContact O-N 3.15Å; N479-S481 PolarHBondContact OD1-N 3.41Å; N479-S481 VanDerWaalsContact OD1-N 3.09Å; N479-S481 PolarHBondContact OD1-OG 3.42Å; N479-T482 PolarHBondContact O-N 3.19Å; N479-T482 VanDerWaalsContact O-N 3.12Å; N479-T482 PolarHBondContact O-OG1 2.69Å | ||
| 480 | T | 63.1 | Low | 85.7 | Confident | 121 Ų | 121 | 66 Ų | 66 | 74% | 0.742 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -62.1 | -21.4 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | T482 C483 | T480-T482 PolarHBondContact O-N 3.27Å; T480-T482 VanDerWaalsContact O-N 3.13Å; T480-C483 PolarHBondContact O-N 3.17Å; T480-C483 VanDerWaalsContact O-N 3.14Å; T480-C483 PolarHBondContact O-SG 2.91Å; T480-C483 VanDerWaalsContact O-SG 3.33Å |
| 481 | S | 64.5 | Low | 85.9 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -64.9 | -14.5 | 175.8 | 73.2 | 0 | 0 | 0 | 0 | 114 | R466 H468 N479 | R466-S481 PolarHBondContact NH2-O 2.93Å; H468-S481 PolarHBondContact CE1-OG 3.39Å; H468-S481 PolarHBondContact ND1-OG 2.92Å; H468-S481 VanDerWaalsContact ND1-OG 3.08Å; N479-S481 PolarHBondContact ND2-OG 3.03Å; N479-S481 VanDerWaalsContact ND2-OG 3.15Å; N479-S481 PolarHBondContact O-N 2.92Å; N479-S481 VanDerWaalsContact O-N 3.15Å; N479-S481 PolarHBondContact OD1-N 3.41Å; N479-S481 VanDerWaalsContact OD1-N 3.09Å; N479-S481 PolarHBondContact OD1-OG 3.42Å |
| 482 | T | 67.1 | Low | 86.2 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -94 | 11.4 | 175.9 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | H468 A470 N479 T480 | H468-T482 HydrophobicContact CB-CG2 3.75Å; A470-T482 HydrophobicContact CB-CG2 4.17Å; N479-T482 PolarHBondContact O-N 3.19Å; N479-T482 VanDerWaalsContact O-N 3.12Å; N479-T482 PolarHBondContact O-OG1 2.69Å; T480-T482 PolarHBondContact O-N 3.27Å; T480-T482 VanDerWaalsContact O-N 3.13Å |
| 483 | C | 84.8 | Confident | 86.5 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | trans | -61.5 | 140.2 | 169.1 | -70.3 | 0 | 0 | 0 | 0 | 110.6 | R466 T480 | R466-C483 PolarHBondContact NH2-O 3.27Å; T480-C483 PolarHBondContact O-N 3.17Å; T480-C483 VanDerWaalsContact O-N 3.14Å; T480-C483 PolarHBondContact O-SG 2.91Å; T480-C483 VanDerWaalsContact O-SG 3.33Å | ||
| 484 | G | 93.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | trans | -63.1 | 146.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L125 C127 | L125-G484 WeakPolarHBondContact O-CA 3.37Å; L125-G484 PolarHBondContact O-N 3.03Å; C127-G484 WeakPolarHBondContact O-CA 3.46Å | ||
| 485 | K | 95.5 | Very high | 88.2 | Confident | 127 Ų | 127 | 72.7 Ų | 72.7 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | trans | -107.7 | 141.6 | 172.6 | -64.8 | -175.3 | 179 | -179.9 | 0 | 110.3 | D128 Y129 L487 | D128-K485 WeakPolarHBondContact CA-O 3.36Å; D128-K485 WeakPolarHBondContact OD1-CA 3.21Å; D128-K485 WeakPolarHBondContact OD1-CB 3.23Å; D128-K485 PolarHBondContact OD1-N 3.03Å; Y129-K485 PolarHBondContact N-O 3.17Å; K485-L487 PolarHBondContact O-N 2.8Å | ||
| 486 | L | 97.8 | Very high | 88.7 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 129.6 | 168.8 | 176.7 | 67 | 0 | 0 | 0 | 109.7 | Y114 V118 Y129 V131 | Y114-L486 WeakPolarHBondContact OH-CD2 3.5Å; V118-L486 HydrophobicContact CG1-CD2 3.94Å; V118-L486 HydrophobicContact CG2-CD1 4.11Å; V118-L486 HydrophobicContact CG2-CD2 4.04Å; Y129-L486 HydrophobicContact CD2-CD1 3.9Å; Y129-L486 HydrophobicContact CE2-CB 4.01Å; Y129-L486 HydrophobicContact CE2-CD1 3.74Å; Y129-L486 HydrophobicContact CE2-CG 4.46Å; Y129-L486 CarbonylContact O-C 3.54Å; Y129-L486 WeakPolarHBondContact O-CA 3.49Å; V131-L486 HydrophobicContact CG2-CD1 4.19Å |
| 487 | L | 97.3 | Very high | 89 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | trans | -82.7 | 141.3 | 175.3 | -63.3 | -176.7 | 0 | 0 | 0 | 111.5 | T97 D128 Y129 K416 K485 | T97-L487 HydrophobicContact CG2-CD1 3.38Å; D128-L487 HydrophobicContact CB-CD2 4.33Å; Y129-L487 PolarHBondContact O-N 3.4Å; K416-L487 HydrophobicContact CD-CD2 4.41Å; K485-L487 PolarHBondContact O-N 2.8Å | ||
| 488 | V | 97 | Very high | 89.5 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | trans | -106.2 | 98.5 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 489 | C | 97.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 125.8 | 178.9 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | G154 V156 I410 | G154-C489 CarbonylContact C-O 3.49Å; G154-C489 WeakPolarHBondContact CA-O 3.46Å; G154-C489 WeakPolarHBondContact O-CA 3.49Å; G154-C489 VanDerWaalsContact O-CB 3.3Å; G154-C489 WeakPolarHBondContact O-CB 3.31Å; G154-C489 PolarHBondContact O-N 2.61Å; V156-C489 HydrophobicContact CB-CB 4.28Å; V156-C489 HydrophobicContact CG1-CB 3.92Å; V156-C489 VanDerWaalsContact CG1-O 3.27Å; V156-C489 WeakPolarHBondContact CG1-O 3.3Å; V156-C489 HydrophobicContact CG2-CB 3.47Å; V156-C489 VanDerWaalsContact CG2-CB 3.47Å; I410-C489 VanDerWaalsContact O-CB 3.31Å; I410-C489 WeakPolarHBondContact O-CB 3.48Å |
| 490 | R | 96.3 | Very high | 91.5 | Very high | 189 Ų | 189 | 56.1 Ų | 56.1 | 71% | 0.713 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 141.2 | 179.9 | -66.4 | -177.2 | -177 | 174 | 2.3 | 110.8 | N411 | N411-R490 WeakPolarHBondContact CB-O 3.29Å; N411-R490 PolarHBondContact ND2-O 3.42Å |
| 491 | P | 98.2 | Very high | 93 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -65.3 | 172 | 175 | 27.9 | -34.7 | 0 | 0 | 0 | 112.3 | V150 L192 N411 | V150-P491 HydrophobicContact CG1-CB 3.81Å; V150-P491 HydrophobicContact CG1-CG 4.01Å; L192-P491 WeakPolarHBondContact O-CB 3.39Å; N411-P491 PolarHBondContact ND2-O 3.19Å; N411-P491 VanDerWaalsContact ND2-O 3.13Å |
| 492 | F | 97.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 56 Ų | 56 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 59.1 | 53.3 | 176.6 | -56.6 | -78.3 | 0 | 0 | 0 | 113 | Q191 G193 H494 Y497 | Q191-F492 WeakPolarHBondContact O-CZ 3.41Å; G193-F492 VanDerWaalsContact CA-CD1 3.48Å; G193-F492 VanDerWaalsContact CA-CE1 3.48Å; G193-F492 PolarHBondContact O-N 3.02Å; F492-H494 PolarHBondContact O-N 2.88Å; F492-H494 VanDerWaalsContact O-N 3.08Å; F492-Y497 HydrophobicContact CD1-CD1 4.04Å; F492-Y497 HydrophobicContact CD1-CE1 4.34Å; F492-Y497 HydrophobicContact CD1-CG 4.18Å |
| 493 | S | 98.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | trans | -50.7 | 121 | 169.5 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | R408 Y495 V496 Y497 | R408-S493 WeakPolarHBondContact O-CB 3.42Å; R408-S493 PolarHBondContact O-OG 3.44Å; S493-Y495 PolarHBondContact O-N 3.17Å; S493-Y495 PolarHBondContact OG-N 3.14Å; S493-V496 CarbonylContact O-C 3.5Å; S493-V496 PolarHBondContact O-N 3.42Å; S493-Y497 PolarHBondContact O-N 3.45Å | ||
| 494 | H | 97.9 | Very high | 95.7 | Very high | 156 Ų | 156 | 56.5 Ų | 56.5 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.7 | -35.2 | 177.2 | 179.9 | -84.9 | 0 | 0 | 0 | 111.4 | F492 V496 A498 | F492-H494 PolarHBondContact O-N 2.88Å; F492-H494 VanDerWaalsContact O-N 3.08Å; H494-V496 PolarHBondContact O-N 3.4Å; H494-A498 WeakPolarHBondContact O-CB 3.09Å; H494-A498 PolarHBondContact O-N 3.26Å |
| 495 | Y | 97.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 176.7 | 179.1 | -102.2 | 0 | 0 | 0 | 112.9 | F281 R408 L409 S493 | F281-Y495 AromaticContact CD1-CE1 3.98Å; F281-Y495 HydrophobicContact CD1-CE1 3.98Å; F281-Y495 HydrophobicContact CE1-CD1 4.05Å; F281-Y495 AromaticContact CE1-CE1 3.57Å; F281-Y495 HydrophobicContact CE1-CE1 3.57Å; R408-Y495 HydrophobicContact CB-CD1 3.85Å; R408-Y495 HydrophobicContact CB-CD2 4.17Å; R408-Y495 HydrophobicContact CB-CG 3.66Å; R408-Y495 HydrophobicContact CG-CD2 4.47Å; R408-Y495 HydrophobicContact CG-CG 4.36Å; L409-Y495 HydrophobicContact CD2-CD1 4.19Å; L409-Y495 HydrophobicContact CD2-CE1 3.97Å; L409-Y495 HydrophobicContact CG-CE1 4.33Å; S493-Y495 PolarHBondContact O-N 3.17Å; S493-Y495 PolarHBondContact OG-N 3.14Å |
| 496 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.9 | -58.9 | -179.2 | 177 | 0 | 0 | 0 | 0 | 110.9 | L195 P254 F281 L409 S493 H494 R499 | L195-V496 HydrophobicContact CD1-CG1 4.32Å; P254-V496 HydrophobicContact CB-CG1 3.46Å; P254-V496 VanDerWaalsContact CB-CG1 3.46Å; P254-V496 HydrophobicContact CG-CG1 3.5Å; F281-V496 HydrophobicContact CE2-CB 4.42Å; F281-V496 HydrophobicContact CE2-CG1 3.91Å; F281-V496 HydrophobicContact CE2-CG2 4.27Å; F281-V496 HydrophobicContact CZ-CB 4.26Å; F281-V496 HydrophobicContact CZ-CG1 4.22Å; F281-V496 HydrophobicContact CZ-CG2 4.07Å; L409-V496 HydrophobicContact CD2-CG2 4.1Å; S493-V496 CarbonylContact O-C 3.5Å; S493-V496 PolarHBondContact O-N 3.42Å; H494-V496 PolarHBondContact O-N 3.4Å; V496-R499 PolarHBondContact O-N 2.79Å |
| 497 | Y | 97 | Very high | 94.4 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.5 | -25.4 | -167.1 | -82.2 | -92 | 0 | 0 | 0 | 114.2 | C189 R190 G193 A194 P254 F492 S493 R499 V500 D501 | C189-Y497 PolarHBondContact O-OH 3.44Å; C189-Y497 VanDerWaalsContact O-OH 3.12Å; R190-Y497 WeakPolarHBondContact CA-OH 3.46Å; G193-Y497 VanDerWaalsContact C-CE2 3.41Å; G193-Y497 VanDerWaalsContact C-OH 3.31Å; G193-Y497 WeakPolarHBondContact CA-OH 3.38Å; G193-Y497 VanDerWaalsContact O-CE2 3.31Å; G193-Y497 WeakPolarHBondContact O-CE2 3.2Å; A194-Y497 PolarHBondContact N-OH 3.02Å; A194-Y497 PolarHBondContact O-OH 3.44Å; P254-Y497 HydrophobicContact CG-CE1 4.36Å; P254-Y497 HydrophobicContact CG-CE2 4.1Å; F492-Y497 HydrophobicContact CD1-CD1 4.04Å; F492-Y497 HydrophobicContact CD1-CE1 4.34Å; F492-Y497 HydrophobicContact CD1-CG 4.18Å; S493-Y497 PolarHBondContact O-N 3.45Å; Y497-R499 PolarHBondContact O-N 3.24Å; Y497-V500 HydrophobicContact CD1-CB 4.41Å; Y497-V500 HydrophobicContact CD1-CG2 4.48Å; Y497-V500 WeakPolarHBondContact O-CB 3.29Å; Y497-V500 PolarHBondContact O-N 3.27Å; Y497-D501 VanDerWaalsContact O-CG 3.3Å; Y497-D501 PolarHBondContact O-N 2.99Å |
| 498 | A | 96.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -31.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H494 A502 | H494-A498 WeakPolarHBondContact O-CB 3.09Å; H494-A498 PolarHBondContact O-N 3.26Å; A498-A502 WeakPolarHBondContact O-CB 3.1Å; A498-A502 PolarHBondContact O-N 3.05Å; A498-A502 VanDerWaalsContact O-N 3.14Å |
| 499 | R | 93.5 | Very high | 93.1 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.4 | -40.2 | 173.2 | -62.5 | -177.2 | -172.5 | 175.8 | 3.3 | 111.5 | G278 V496 Y497 A502 V503 | G278-R499 PolarHBondContact O-NH1 3.16Å; V496-R499 PolarHBondContact O-N 2.79Å; Y497-R499 PolarHBondContact O-N 3.24Å; R499-A502 PolarHBondContact O-N 3.07Å; R499-V503 WeakPolarHBondContact O-CG2 3.42Å; R499-V503 PolarHBondContact O-N 2.85Å |
| 500 | V | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | R252 P254 I279 Y497 A502 V503 E504 | R252-V500 VanDerWaalsContact O-CG1 3.31Å; R252-V500 WeakPolarHBondContact O-CG1 3.5Å; P254-V500 HydrophobicContact CB-CG2 3.89Å; P254-V500 HydrophobicContact CG-CG2 3.84Å; I279-V500 HydrophobicContact CG2-CG2 4.14Å; Y497-V500 HydrophobicContact CD1-CB 4.41Å; Y497-V500 HydrophobicContact CD1-CG2 4.48Å; Y497-V500 WeakPolarHBondContact O-CB 3.29Å; Y497-V500 PolarHBondContact O-N 3.27Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.99Å; V500-V503 PolarHBondContact O-N 3.03Å; V500-E504 WeakPolarHBondContact O-CB 3.36Å; V500-E504 PolarHBondContact O-N 3.31Å |
| 501 | D | 93.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 65.9 Ų | 65.9 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.3 | -62.3 | -17.6 | 0 | 0 | 0 | 111.7 | Y497 E504 K505 | Y497-D501 VanDerWaalsContact O-CG 3.3Å; Y497-D501 PolarHBondContact O-N 2.99Å; D501-E504 PolarHBondContact O-N 2.97Å; D501-K505 VanDerWaalsContact O-CB 3.32Å; D501-K505 WeakPolarHBondContact O-CB 3.48Å; D501-K505 PolarHBondContact O-N 3.34Å |
| 502 | A | 92.9 | Very high | 90.4 | Very high | 57 Ų | 57 | 72.7 Ų | 72.7 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A498 R499 V500 S506 | A498-A502 WeakPolarHBondContact O-CB 3.1Å; A498-A502 PolarHBondContact O-N 3.05Å; A498-A502 VanDerWaalsContact O-N 3.14Å; R499-A502 PolarHBondContact O-N 3.07Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.99Å; A502-S506 PolarHBondContact O-N 3.07Å |
| 503 | V | 91.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | R252 R277 I279 R499 V500 S506 V507 | R252-V503 HydrophobicContact CG-CG1 4.11Å; R277-V503 HydrophobicContact CB-CG2 3.63Å; I279-V503 HydrophobicContact CG2-CB 4.38Å; I279-V503 HydrophobicContact CG2-CG2 4Å; R499-V503 WeakPolarHBondContact O-CG2 3.42Å; R499-V503 PolarHBondContact O-N 2.85Å; V500-V503 PolarHBondContact O-N 3.03Å; V503-S506 PolarHBondContact O-N 3.01Å; V503-V507 HydrophobicContact CG1-CG2 4.28Å; V503-V507 VanDerWaalsContact O-CG2 3.31Å; V503-V507 WeakPolarHBondContact O-CG2 3.31Å; V503-V507 PolarHBondContact O-N 3.2Å |
| 504 | E | 88.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.8 | 178.3 | 171.7 | -156.8 | 0 | 0 | 112.2 | R190 V500 D501 S506 V507 N508 | R190-E504 IonicContact CZ-OE2 2.81Å; R190-E504 IonicContact NH1-OE2 3.32Å; R190-E504 IonicContact NH2-OE1 2.75Å; R190-E504 PolarHBondContact NH2-OE1 3.23Å; R190-E504 VanDerWaalsContact NH2-OE1 3.16Å; R190-E504 IonicContact NH2-OE2 2.81Å; R190-E504 PolarHBondContact NH2-OE2 2.9Å; V500-E504 WeakPolarHBondContact O-CB 3.36Å; V500-E504 PolarHBondContact O-N 3.31Å; D501-E504 PolarHBondContact O-N 2.97Å; E504-S506 PolarHBondContact O-N 2.98Å; E504-V507 PolarHBondContact O-N 3.41Å; E504-N508 VanDerWaalsContact CG-ND2 3.34Å; E504-N508 WeakPolarHBondContact CG-ND2 3.31Å; E504-N508 WeakPolarHBondContact O-CB 3.4Å; E504-N508 VanDerWaalsContact O-CG 3.31Å; E504-N508 PolarHBondContact O-N 3.42Å |
| 505 | K | 89.3 | Confident | 88.6 | Confident | 168 Ų | 168 | 79.2 Ų | 79.2 | 73% | 0.73 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.1 | -41.4 | 176.8 | -177 | 177.3 | 179.8 | 178.5 | 0 | 112.1 | D501 S509 | D501-K505 VanDerWaalsContact O-CB 3.32Å; D501-K505 WeakPolarHBondContact O-CB 3.48Å; D501-K505 PolarHBondContact O-N 3.34Å; K505-S509 PolarHBondContact O-N 2.85Å |
| 506 | S | 86.5 | Confident | 88.3 | Confident | 32 Ų | 32 | 86.2 Ų | 86.2 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.7 | -44.5 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | R277 A502 V503 E504 S509 | R277-S506 PolarHBondContact NH1-OG 3.13Å; A502-S506 PolarHBondContact O-N 3.07Å; V503-S506 PolarHBondContact O-N 3.01Å; E504-S506 PolarHBondContact O-N 2.98Å; S506-S509 PolarHBondContact O-N 2.97Å; S506-S509 PolarHBondContact O-OG 3.02Å |
| 507 | V | 83.5 | Confident | 87.9 | Confident | 17 Ų | 17 | 94.8 Ų | 94.8 | 10% | 0.103 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | -179.8 | 173 | 0 | 0 | 0 | 0 | 110.6 | V503 E504 S509 E510 F511 | V503-V507 HydrophobicContact CG1-CG2 4.28Å; V503-V507 VanDerWaalsContact O-CG2 3.31Å; V503-V507 WeakPolarHBondContact O-CG2 3.31Å; V503-V507 PolarHBondContact O-N 3.2Å; E504-V507 PolarHBondContact O-N 3.41Å; V507-S509 PolarHBondContact O-N 3.42Å; V507-S509 VanDerWaalsContact O-N 3.16Å; V507-E510 WeakPolarHBondContact O-CB 3.42Å; V507-E510 PolarHBondContact O-N 3.21Å; V507-F511 HydrophobicContact CG1-CD2 4.06Å; V507-F511 HydrophobicContact CG1-CE2 3.73Å; V507-F511 WeakPolarHBondContact O-CD2 3.29Å |
| 508 | N | 83.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -22.4 | 178.3 | -70.1 | -13.9 | 0 | 0 | 0 | 112.8 | E504 E510 | E504-N508 VanDerWaalsContact CG-ND2 3.34Å; E504-N508 WeakPolarHBondContact CG-ND2 3.31Å; E504-N508 WeakPolarHBondContact O-CB 3.4Å; E504-N508 VanDerWaalsContact O-CG 3.31Å; E504-N508 PolarHBondContact O-N 3.42Å; N508-E510 VanDerWaalsContact C-N 3.3Å |
| 509 | S | 84.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14 | 172.8 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | K505 S506 V507 | K505-S509 PolarHBondContact O-N 2.85Å; S506-S509 PolarHBondContact O-N 2.97Å; S506-S509 PolarHBondContact O-OG 3.02Å; V507-S509 PolarHBondContact O-N 3.42Å; V507-S509 VanDerWaalsContact O-N 3.16Å |
| 510 | E | 81 | Confident | 86.9 | Confident | 135 Ų | 135 | 109.5 Ų | 109.5 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.7 | 177.7 | -64.4 | 171.1 | -171.9 | 0 | 0 | 112.6 | V507 N508 | V507-E510 WeakPolarHBondContact O-CB 3.42Å; V507-E510 PolarHBondContact O-N 3.21Å; N508-E510 VanDerWaalsContact C-N 3.3Å |
| 511 | F | 77.4 | Confident | 86.6 | Confident | 154 Ų | 154 | 111.2 Ų | 111.2 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | trans | -101 | 107 | -177.8 | -73.3 | -80.2 | 0 | 0 | 0 | 111.7 | V507 | V507-F511 HydrophobicContact CG1-CD2 4.06Å; V507-F511 HydrophobicContact CG1-CE2 3.73Å; V507-F511 WeakPolarHBondContact O-CD2 3.29Å | ||
| 512 | E | 77.5 | Confident | 86.2 | Confident | 187 Ų | 187 | 114.5 Ų | 114.5 | 87% | 0.874 | 58% | 0.583 | S | S | * | * | trans | -93.1 | 119.3 | 164.1 | -71.4 | -171 | 166.1 | 0 | 0 | 110.1 | L514 | E512-L514 PolarHBondContact O-N 2.97Š| ||
| 513 | M | 81.1 | Confident | 85.6 | Confident | 148 Ų | 148 | 115.5 Ų | 115.5 | 73% | 0.729 | 59% | 0.592 | S | S | * | * | trans | -65.9 | 104.3 | 171 | -174.7 | 175.8 | 76.9 | 0 | 0 | 108.8 | Q515 | M513-Q515 PolarHBondContact O-N 3.31Š| ||
| 514 | L | 86.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 119.5 Ų | 119.5 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | trans | -65.6 | 108.4 | 176.1 | -175 | 79.7 | 0 | 0 | 0 | 109.4 | E512 R516 | E512-L514 PolarHBondContact O-N 2.97Å; L514-R516 HydrophobicContact CD2-CG 4.47Å; L514-R516 VanDerWaalsContact CD2-CZ 3.4Å; L514-R516 VanDerWaalsContact CD2-NH2 3.3Å; L514-R516 PolarHBondContact O-N 3.08Å; L514-R516 PolarHBondContact O-NH1 2.72Å | ||
| 515 | Q | 87.7 | Confident | 84.5 | Confident | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | trans | -62.7 | 126.3 | 172.9 | -62.2 | -66.6 | -16.9 | 0 | 0 | 108.8 | M513 | M513-Q515 PolarHBondContact O-N 3.31Š| ||
| 516 | R | 90.6 | Very high | 83.5 | Confident | 183 Ų | 183 | 120.6 Ų | 120.6 | 69% | 0.691 | 64% | 0.638 | S | S | * | * | trans | -120.1 | 143 | 175.2 | -71 | 174.9 | -177.4 | 71.2 | -4.3 | 108.2 | L514 | L514-R516 HydrophobicContact CD2-CG 4.47Å; L514-R516 VanDerWaalsContact CD2-CZ 3.4Å; L514-R516 VanDerWaalsContact CD2-NH2 3.3Å; L514-R516 PolarHBondContact O-N 3.08Å; L514-R516 PolarHBondContact O-NH1 2.72Å | ||
| 517 | E | 90.9 | Very high | 82.1 | Confident | 182 Ų | 182 | 124 Ų | 124 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.5 | 167 | -65.8 | -169.1 | 165.3 | 0 | 0 | 109.5 | Y519 | E517-Y519 PolarHBondContact O-N 2.97Š|
| 518 | P | 88 | Confident | 80.5 | Confident | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.1 | 171.7 | -24.4 | 33.8 | 0 | 0 | 0 | 110.5 | V520 | P518-V520 PolarHBondContact O-N 3Å; P518-V520 VanDerWaalsContact O-N 3.16Å |
| 519 | Y | 89.1 | Confident | 78.8 | Confident | 176 Ų | 176 | 132.7 Ų | 132.7 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.2 | 175.8 | 178 | -101.9 | 0 | 0 | 0 | 110.2 | E517 G521 A523 | E517-Y519 PolarHBondContact O-N 2.97Å; Y519-G521 VanDerWaalsContact CE1-CA 3.46Å; Y519-G521 WeakPolarHBondContact CE1-O 3.48Å; Y519-G521 VanDerWaalsContact CZ-CA 3.42Å; Y519-A523 HydrophobicContact CE1-CB 4.27Å |
| 520 | V | 88 | Confident | 76.9 | Confident | 141 Ų | 141 | 132.9 Ų | 132.9 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -101.3 | 2.7 | -179.7 | -68 | 0 | 0 | 0 | 0 | 113.8 | P518 | P518-V520 PolarHBondContact O-N 3Å; P518-V520 VanDerWaalsContact O-N 3.16Å | ||
| 521 | G | 88 | Confident | 75.1 | Confident | 35 Ų | 35 | 130.7 Ų | 130.7 | 36% | 0.361 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -78.6 | 172.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Y519 A523 | Y519-G521 VanDerWaalsContact CE1-CA 3.46Å; Y519-G521 WeakPolarHBondContact CE1-O 3.48Å; Y519-G521 VanDerWaalsContact CZ-CA 3.42Å; G521-A523 PolarHBondContact O-N 2.93Å |
| 522 | N | 84.3 | Confident | 73.5 | Confident | 164 Ų | 164 | 131 Ų | 131 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -61.8 | 107.6 | 172.8 | -72.6 | -14.9 | 0 | 0 | 0 | 109.7 | ||||
| 523 | A | 79.7 | Confident | 71.9 | Confident | 79 Ų | 79 | 128.4 Ų | 128.4 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 134.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | Y519 G521 | Y519-A523 HydrophobicContact CE1-CB 4.27Å; G521-A523 PolarHBondContact O-N 2.93Å |
| 524 | V | 81.5 | Confident | 70.2 | Confident | 91 Ų | 91 | 129.4 Ų | 129.4 | 55% | 0.552 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.2 | 168 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | N526 Y539 | V524-N526 PolarHBondContact O-N 3.16Å; V524-Y539 WeakPolarHBondContact CB-OH 3.06Å; V524-Y539 WeakPolarHBondContact CG2-OH 3.47Å |
| 525 | S | 76.8 | Confident | 68 | Low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 110 | T527 | S525-T527 PolarHBondContact O-N 3.04Š|
| 526 | N | 67.6 | Low | 65.9 | Low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -75 | -1.5 | 171.2 | -81.7 | -3.5 | 0 | 0 | 0 | 113.1 | V524 T528 | V524-N526 PolarHBondContact O-N 3.16Å; N526-T528 VanDerWaalsContact C-N 3.27Å; N526-T528 PolarHBondContact O-N 3.15Å | ||
| 527 | T | 57.5 | Low | 63.5 | Low | 103 Ų | 103 | 127.9 Ų | 127.9 | 63% | 0.632 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 91.4 | 164.9 | 47.5 | 0 | 0 | 0 | 0 | 107.7 | S525 E529 | S525-T527 PolarHBondContact O-N 3.04Å; T527-E529 PolarHBondContact O-N 2.84Å | ||
| 528 | T | 50.8 | Low | 61.4 | Low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -60.1 | 80.8 | 148.1 | 26.6 | 0 | 0 | 0 | 0 | 107.1 | N526 A530 | N526-T528 VanDerWaalsContact C-N 3.27Å; N526-T528 PolarHBondContact O-N 3.15Å; T528-A530 VanDerWaalsContact C-N 3.32Å; T528-A530 PolarHBondContact O-N 3.38Å; T528-A530 VanDerWaalsContact O-N 3.13Å | ||
| 529 | E | 46 | Very low | 59.6 | Low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -55.2 | 115.1 | 137.8 | -75.4 | -172.9 | 171.9 | 0 | 0 | 104.1 | T527 S531 | T527-E529 PolarHBondContact O-N 2.84Å; E529-S531 PolarHBondContact O-N 3.33Å | ||
| 530 | A | 44.7 | Very low | 57.5 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -66.6 | 68.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T528 | T528-A530 VanDerWaalsContact C-N 3.32Å; T528-A530 PolarHBondContact O-N 3.38Å; T528-A530 VanDerWaalsContact O-N 3.13Å | ||
| 531 | S | 42.6 | Very low | 55.5 | Low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -88.8 | 113.3 | 166.4 | 62 | 0 | 0 | 0 | 0 | 107.2 | E529 D533 | E529-S531 PolarHBondContact O-N 3.33Å; S531-D533 PolarHBondContact O-N 3.38Å | ||
| 532 | N | 45.2 | Very low | 53.7 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -62.2 | 28.7 | -174.1 | -93.9 | -20.8 | 0 | 0 | 0 | 116.6 | N534 | N532-N534 PolarHBondContact O-N 3.47Š| ||
| 533 | D | 43.8 | Very low | 52.1 | Low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -93 | 106.2 | 176.1 | -80.7 | -9.7 | 0 | 0 | 0 | 110.5 | S531 K535 | S531-D533 PolarHBondContact O-N 3.38Å; D533-K535 PolarHBondContact O-N 3.47Å | ||
| 534 | N | 44.2 | Very low | 50.6 | Low | 169 Ų | 169 | 140 Ų | 140 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | trans | -57.8 | 63.7 | 170.1 | -80 | -33.1 | 0 | 0 | 0 | 112.6 | N532 | N532-N534 PolarHBondContact O-N 3.47Š| ||
| 535 | K | 42.2 | Very low | 49.2 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -90.8 | 102.6 | 163.5 | -74.6 | -173.9 | -179.7 | 173.8 | 0 | 107.8 | D533 G537 | D533-K535 PolarHBondContact O-N 3.47Å; K535-G537 PolarHBondContact O-N 2.8Å | ||
| 536 | E | 43 | Very low | 47.9 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | trans | -38.4 | 124.7 | 170.1 | -69.7 | 179.3 | 146.6 | 0 | 0 | 110.4 | Y538 | E536-Y538 PolarHBondContact O-N 3.45Å; E536-Y538 VanDerWaalsContact O-N 3.08Å | ||
| 537 | G | 40.4 | Very low | 46.7 | Very low | 63 Ų | 63 | 145.8 Ų | 145.8 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -55 | 117 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K535 Y539 | K535-G537 PolarHBondContact O-N 2.8Å; G537-Y539 PolarHBondContact O-N 2.71Å | ||
| 538 | Y | 46.9 | Very low | 46.2 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 3.4 | -178.5 | -93.5 | -102.2 | 0 | 0 | 0 | 115 | E536 | E536-Y538 PolarHBondContact O-N 3.45Å; E536-Y538 VanDerWaalsContact O-N 3.08Å |
| 539 | Y | 49.7 | Very low | 45.9 | Very low | 162 Ų | 162 | 145 Ų | 145 | 64% | 0.635 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -23.1 | -169.9 | -77.2 | -80.1 | 0 | 0 | 0 | 114.8 | V524 G537 | V524-Y539 WeakPolarHBondContact CB-OH 3.06Å; V524-Y539 WeakPolarHBondContact CG2-OH 3.47Å; G537-Y539 PolarHBondContact O-N 2.71Å |
| 540 | F | 45.3 | Very low | 46 | Very low | 185 Ų | 185 | 147 Ų | 147 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -124.3 | 74 | -176.7 | -58.2 | -78 | 0 | 0 | 0 | 110.9 | K542 | F540-K542 PolarHBondContact O-N 3.17Å; F540-K542 VanDerWaalsContact O-N 3.08Å | ||
| 541 | R | 45.3 | Very low | 46.2 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 49% | 0.487 | 73% | 0.727 | S | S | . | * | trans | -70.6 | 107.3 | 168 | -77 | -167.9 | -176.3 | 179.5 | 2.3 | 109.6 | E543 Y544 | R541-E543 PolarHBondContact O-N 3.33Å; R541-Y544 HydrophobicContact CB-CD2 4.24Å; R541-Y544 PolarHBondContact O-N 3.12Å | ||
| 542 | K | 51 | Low | 46.6 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -49.6 | -24.8 | 173.8 | -159.4 | 175.5 | -176 | 178.5 | 0 | 113.6 | F540 Y544 Y545 | F540-K542 PolarHBondContact O-N 3.17Å; F540-K542 VanDerWaalsContact O-N 3.08Å; K542-Y544 PolarHBondContact O-N 3.16Å; K542-Y545 PolarHBondContact O-N 3.46Å; K542-Y545 VanDerWaalsContact O-N 3.15Å |
| 543 | E | 49.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -57.4 | -27.1 | -179.6 | -54.1 | 177.8 | -125.9 | 0 | 0 | 113.9 | R541 Y545 | R541-E543 PolarHBondContact O-N 3.33Å; E543-Y545 VanDerWaalsContact C-N 3.34Å; E543-Y545 PolarHBondContact O-N 2.92Å |
| 544 | Y | 48.7 | Very low | 46.6 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -77.6 | -15.5 | 179.9 | -76.7 | -80.8 | 0 | 0 | 0 | 114.4 | R541 K542 | R541-Y544 HydrophobicContact CB-CD2 4.24Å; R541-Y544 PolarHBondContact O-N 3.12Å; K542-Y544 PolarHBondContact O-N 3.16Å |
| 545 | Y | 52.1 | Low | 46.8 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -11.9 | -175.1 | -72.4 | -84.1 | 0 | 0 | 0 | 114.4 | K542 E543 N547 | K542-Y545 PolarHBondContact O-N 3.46Å; K542-Y545 VanDerWaalsContact O-N 3.15Å; E543-Y545 VanDerWaalsContact C-N 3.34Å; E543-Y545 PolarHBondContact O-N 2.92Å; Y545-N547 VanDerWaalsContact C-N 3.34Å; Y545-N547 PolarHBondContact O-N 3.01Å |
| 546 | D | 48.4 | Very low | 47 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | -89.9 | 15.3 | -175.7 | -89.1 | -9.2 | 0 | 0 | 0 | 114.5 | V548 | D546-V548 PolarHBondContact O-N 2.81Š| ||
| 547 | N | 43.1 | Very low | 47 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | -75.8 | 33.4 | 175 | -73.7 | -29.1 | 0 | 0 | 0 | 114 | Y545 | Y545-N547 VanDerWaalsContact C-N 3.34Å; Y545-N547 PolarHBondContact O-N 3.01Å | ||
| 548 | V | 47 | Very low | 47 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -83.2 | 121.5 | 168.9 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | D546 K550 | D546-V548 PolarHBondContact O-N 2.81Å; V548-K550 PolarHBondContact O-N 3.3Å; V548-K550 VanDerWaalsContact O-N 3.15Å |
| 549 | P | 43.9 | Very low | 46.8 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -56.3 | 121.4 | -177.6 | -23.3 | 32.1 | 0 | 0 | 0 | 111.5 | V551 | P549-V551 VanDerWaalsContact C-N 3.27Å; P549-V551 PolarHBondContact O-N 3.5Å | ||
| 550 | K | 49.4 | Very low | 46.3 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -68.8 | 81.3 | 174.9 | -67.7 | 176.2 | -178.2 | 170.5 | 0 | 109.6 | V548 A552 | V548-K550 PolarHBondContact O-N 3.3Å; V548-K550 VanDerWaalsContact O-N 3.15Å; K550-A552 PolarHBondContact O-N 3.26Å | ||
| 551 | V | 49.3 | Very low | 45.8 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -67 | 116.4 | 163.3 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | P549 L553 | P549-V551 VanDerWaalsContact C-N 3.27Å; P549-V551 PolarHBondContact O-N 3.5Å; V551-L553 PolarHBondContact O-N 3.16Å |
| 552 | A | 49.5 | Very low | 45.4 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 116.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K550 | K550-A552 PolarHBondContact O-N 3.26Š|
| 553 | L | 47.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 60% | 0.602 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.7 | 171 | -73.8 | 169.6 | 0 | 0 | 0 | 109.8 | V551 | V551-L553 PolarHBondContact O-N 3.16Š|
| 554 | P | 42.8 | Very low | 44.1 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61 | 160.1 | -180 | -9.3 | 15.1 | 0 | 0 | 0 | 113.7 | G556 | P554-G556 PolarHBondContact O-N 2.77Š|
| 555 | P | 47.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 126.6 | -173.8 | -17.5 | 29.6 | 0 | 0 | 0 | 112.1 | ||
| 556 | G | 46.6 | Very low | 42.6 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.1 | -11 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116 | P554 | P554-G556 PolarHBondContact O-N 2.77Š|
| 557 | Q | 41.8 | Very low | 42 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -97.9 | 121.8 | 176.3 | -72.1 | -170.9 | -15 | 0 | 0 | 112.3 | ||||
| 558 | R | 41.5 | Very low | 41.7 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 132.5 | 172 | -76.9 | -176.4 | 174.5 | -171.8 | -1 | 110 | I560 | R558-I560 PolarHBondContact O-N 2.77Š| ||
| 559 | K | 43.2 | Very low | 41.3 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -62.2 | 114.4 | 169.3 | -79.3 | -177.5 | 173.5 | -177.2 | 0 | 109.7 | H561 | K559-H561 PolarHBondContact O-N 3.38Š| ||
| 560 | I | 38.3 | Very low | 41 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 110.8 | 166.5 | -61.5 | 175.3 | 0 | 0 | 0 | 106.6 | R558 T562 | R558-I560 PolarHBondContact O-N 2.77Å; I560-T562 PolarHBondContact O-N 3.12Å; I560-T562 VanDerWaalsContact O-N 3.12Å | ||
| 561 | H | 34.8 | Very low | 40.4 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 101.2 | 166.5 | -92.2 | -87.2 | 0 | 0 | 0 | 108 | K559 S563 | K559-H561 PolarHBondContact O-N 3.38Å; H561-S563 VanDerWaalsContact C-N 3.34Å; H561-S563 PolarHBondContact O-N 3.36Å | ||
| 562 | T | 36.3 | Very low | 39.9 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -72.6 | 93.8 | 164.5 | 24.6 | 0 | 0 | 0 | 0 | 108.3 | I560 V564 | I560-T562 PolarHBondContact O-N 3.12Å; I560-T562 VanDerWaalsContact O-N 3.12Å; T562-V564 PolarHBondContact O-N 3.23Å; T562-V564 VanDerWaalsContact O-N 3.16Å | ||
| 563 | S | 37.9 | Very low | 39.3 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 105.4 | 158.9 | 62 | 0 | 0 | 0 | 0 | 107.2 | H561 K565 | H561-S563 VanDerWaalsContact C-N 3.34Å; H561-S563 PolarHBondContact O-N 3.36Å; S563-K565 VanDerWaalsContact C-N 3.3Å; S563-K565 PolarHBondContact O-N 3.22Å | ||
| 564 | V | 35.8 | Very low | 38.9 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 91.6 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | T562 T566 | T562-V564 PolarHBondContact O-N 3.23Å; T562-V564 VanDerWaalsContact O-N 3.16Å; V564-T566 HydrophobicContact CG1-CG2 3.86Å | ||
| 565 | K | 37.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -101.4 | 97.2 | 150.3 | -85.4 | -171.9 | 174.3 | -177.1 | 0 | 106.2 | S563 A567 | S563-K565 VanDerWaalsContact C-N 3.3Å; S563-K565 PolarHBondContact O-N 3.22Å; K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.21Å | ||
| 566 | T | 32.5 | Very low | 38 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 90.6 | 170.9 | 27.7 | 0 | 0 | 0 | 0 | 109.1 | V564 | V564-T566 HydrophobicContact CG1-CG2 3.86Š| ||
| 567 | A | 36.3 | Very low | 37.5 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 103.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | K565 | K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.21Å | ||
| 568 | Q | 36.8 | Very low | 37.2 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 88 | 121.9 | 172.2 | -54.5 | -166.3 | -18.8 | 0 | 0 | 118.1 | ||
| 569 | P | 38.3 | Very low | 37.1 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 157.5 | -174.8 | 33.4 | -34.3 | 0 | 0 | 0 | 113.2 | G571 | P569-G571 PolarHBondContact O-N 3.47Š| ||
| 570 | P | 37.5 | Very low | 36.8 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -85.3 | 108.8 | -175.7 | 23 | -10.7 | 0 | 0 | 0 | 111.3 | ||||
| 571 | G | 37.1 | Very low | 36.7 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -144.2 | 82.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P569 | P569-G571 PolarHBondContact O-N 3.47Š| ||
| 572 | G | 37.6 | Very low | 36.8 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -68.8 | 146.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S574 | G572-S574 PolarHBondContact O-N 3.46Š| ||
| 573 | S | 37.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -58.4 | 122.6 | 179.1 | 52.8 | 0 | 0 | 0 | 0 | 113 | N575 | S573-N575 PolarHBondContact O-N 3.33Š| ||
| 574 | S | 38.9 | Very low | 36.8 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | -76.2 | 110.8 | 166.4 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | G572 | G572-S574 PolarHBondContact O-N 3.46Š| ||
| 575 | N | 33.3 | Very low | 36.9 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 86% | 0.861 | 85% | 0.85 | S | S | * | * | trans | -157.3 | 100.9 | 160.5 | -91.8 | -28.2 | 0 | 0 | 0 | 108.7 | S573 | S573-N575 PolarHBondContact O-N 3.33Š| ||
| 576 | A | 38.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 142 Ų | 142 | 88% | 0.884 | 85% | 0.85 | S | S | * | * | trans | 160.8 | 115.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 577 | F | 34.9 | Very low | 37.1 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | -127.1 | 142 | 174.1 | -135.7 | -72.5 | 0 | 0 | 0 | 106.6 | ||||
| 578 | W | 35.3 | Very low | 37.1 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 87% | 0.867 | 86% | 0.862 | S | S | * | * | trans | 77.3 | 135.6 | 172.9 | -48.2 | 101.2 | 0 | 0 | 0 | 117.2 | ||||
| 579 | S | 39.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 86% | 0.859 | S | S | * | * | cis | -158.5 | 149.5 | 8.9 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 580 | N | 36.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 89% | 0.893 | 87% | 0.865 | S | S | * | * | trans | -79 | 140.9 | 171.3 | -75.3 | -23.3 | 0 | 0 | 0 | 111.4 | ||||
| 581 | E | 37.5 | Very low | 37 | Very low | 270 Ų | 270 | 145.3 Ų | 145.3 | 100% | 1.262 | 86% | 0.861 | S | S | * | * | trans | -62.7 | 0 | 166 | -69.1 | -179.1 | 154.6 | 0 | 0 | 113.2 |
Retrieved 581 of 581 residues in 149.6 ms
(Link to these results)