| 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 | 39.8 | Very low | 44 | Very low | 228 Ų | 228 | 153.7 Ų | 153.7 | 100% | 1.123 | 82% | 0.821 | S | S | * | * | 0 | 101 | 0 | -81.5 | 177.2 | 169.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 37.3 | Very low | 43.8 | Very low | 97 Ų | 97 | 157.8 Ų | 157.8 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -118 | 113.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | Y | 40.7 | Very low | 43.7 | Very low | 205 Ų | 205 | 155 Ų | 155 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -94.7 | 111 | 175 | -82.7 | -87.4 | 0 | 0 | 0 | 108.3 | ||||
| 4 | L | 42.5 | Very low | 43.5 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -81.5 | 114.6 | 164 | -114.9 | 88.6 | 0 | 0 | 0 | 107.8 | ||||
| 5 | L | 45.6 | Very low | 43 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 112.9 | 170.5 | -98 | 145.3 | 0 | 0 | 0 | 108.9 | ||||
| 6 | F | 46.4 | Very low | 42.7 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -85 | 105.2 | 171.3 | -128 | -95.4 | 0 | 0 | 0 | 108.3 | ||||
| 7 | T | 48.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -85.3 | 108.7 | 170.2 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | L9 | T7-L9 PolarHBondContact O-N 3.37Š| ||
| 8 | C | 44.3 | Very low | 42.7 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 108.8 | 175.1 | -144.3 | 0 | 0 | 0 | 0 | 109.1 | V10 | C8-V10 PolarHBondContact O-N 3.31Š| ||
| 9 | L | 45.7 | Very low | 44.1 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -81.6 | 100.7 | 175.4 | -155.2 | 87.6 | 0 | 0 | 0 | 108.7 | T7 L11 | T7-L9 PolarHBondContact O-N 3.37Å; L9-L11 PolarHBondContact O-N 3.19Å | ||
| 10 | V | 48.1 | Very low | 46 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 102.4 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 108 | C8 Y12 | C8-V10 PolarHBondContact O-N 3.31Å; V10-Y12 HydrophobicContact CG1-CD2 4.04Å; V10-Y12 HydrophobicContact CG1-CE2 4.12Å; V10-Y12 PolarHBondContact O-N 3.3Å | ||
| 11 | L | 45.4 | Very low | 48.2 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -72.7 | 100.1 | 169.7 | -92.1 | 147.6 | 0 | 0 | 0 | 108.9 | L9 V13 | L9-L11 PolarHBondContact O-N 3.19Å; L11-V13 PolarHBondContact O-N 3.09Å; L11-V13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | Y | 41.7 | Very low | 50.9 | Low | 202 Ų | 202 | 126.4 Ų | 126.4 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -68.6 | 99.3 | 163.5 | -96 | -92.9 | 0 | 0 | 0 | 108.5 | V10 L14 | V10-Y12 HydrophobicContact CG1-CD2 4.04Å; V10-Y12 HydrophobicContact CG1-CE2 4.12Å; V10-Y12 PolarHBondContact O-N 3.3Å; Y12-L14 VanDerWaalsContact C-N 3.3Å; Y12-L14 PolarHBondContact O-N 2.98Å | ||
| 13 | V | 42.9 | Very low | 53.9 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | trans | -71.9 | 93.3 | 163.6 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | L11 S15 | L11-V13 PolarHBondContact O-N 3.09Å; L11-V13 VanDerWaalsContact O-N 3.09Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.02Å | ||
| 14 | L | 39.9 | Very low | 56.6 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | trans | -64.4 | 97.8 | 163 | -81 | 157.6 | 0 | 0 | 0 | 106.7 | Y12 I16 | Y12-L14 VanDerWaalsContact C-N 3.3Å; Y12-L14 PolarHBondContact O-N 2.98Å; L14-I16 PolarHBondContact O-N 2.86Å | ||
| 15 | S | 36.3 | Very low | 59.3 | Low | 109 Ų | 109 | 105.1 Ų | 105.1 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | trans | -59.8 | 96.5 | 159.8 | -87.4 | 0 | 0 | 0 | 0 | 107 | V13 C17 | V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.02Å; S15-C17 PolarHBondContact O-N 2.9Å | ||
| 16 | I | 39 | Very low | 61.9 | Low | 157 Ų | 157 | 97.7 Ų | 97.7 | 81% | 0.805 | 56% | 0.563 | S | S | * | * | trans | -61.7 | 98.9 | 159.2 | -58.7 | 171 | 0 | 0 | 0 | 103.9 | L14 S18 | L14-I16 PolarHBondContact O-N 2.86Å; I16-S18 PolarHBondContact O-N 2.79Å | ||
| 17 | C | 36.5 | Very low | 64.4 | Low | 121 Ų | 121 | 88.7 Ų | 88.7 | 82% | 0.818 | 52% | 0.523 | S | S | * | . | trans | -63.9 | 89.7 | 167.1 | -163.4 | 0 | 0 | 0 | 0 | 105 | S15 A19 | S15-C17 PolarHBondContact O-N 2.9Å; C17-A19 PolarHBondContact O-N 3.02Å | ||
| 18 | S | 47.9 | Very low | 66.8 | Low | 100 Ų | 100 | 82.6 Ų | 82.6 | 70% | 0.699 | 49% | 0.486 | S | S | * | . | trans | -57.8 | 113.4 | 170.2 | -176.2 | 0 | 0 | 0 | 0 | 105.3 | I16 S20 | I16-S18 PolarHBondContact O-N 2.79Å; S18-S20 PolarHBondContact O-N 3.25Å | ||
| 19 | A | 68.9 | Low | 69.4 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 131.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108 | C17 | C17-A19 PolarHBondContact O-N 3.02Š|
| 20 | S | 82.1 | Confident | 71.9 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 136.8 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | S18 | S18-S20 PolarHBondContact O-N 3.25Š|
| 21 | P | 92.6 | Very high | 74.3 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 141.8 | 175.9 | 21.6 | -31.7 | 0 | 0 | 0 | 110.3 | Y117 P219 N274 | P21-Y117 HydrophobicContact CB-CE2 4.35Å; P21-Y117 WeakPolarHBondContact CB-OH 3.32Å; P21-P219 HydrophobicContact CB-CB 4.34Å; P21-P219 HydrophobicContact CB-CG 4.49Å; P21-P219 HydrophobicContact CG-CB 3.97Å; P21-P219 HydrophobicContact CG-CG 3.82Å; P21-N274 PolarHBondContact O-ND2 2.78Å |
| 22 | P | 97.6 | Very high | 76.9 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 153.3 | -178.3 | 30.5 | -35.3 | 0 | 0 | 0 | 111.3 | F24 Y117 N274 W319 L344 | P22-F24 HydrophobicContact CG-CE1 4.09Å; P22-F24 HydrophobicContact CG-CE2 4.45Å; P22-F24 HydrophobicContact CG-CZ 3.73Å; P22-Y117 VanDerWaalsContact O-CE1 3.23Å; P22-Y117 WeakPolarHBondContact O-CE1 3.45Å; P22-Y117 PolarHBondContact O-OH 3.06Å; P22-N274 WeakPolarHBondContact CA-O 3.21Å; P22-W319 HydrophobicContact CB-CH2 3.39Å; P22-W319 HydrophobicContact CB-CZ2 3.72Å; P22-W319 HydrophobicContact CB-CZ3 4.28Å; P22-W319 HydrophobicContact CG-CH2 3.91Å; P22-L344 HydrophobicContact CG-CB 4.35Å |
| 23 | N | 98.9 | Very high | 79.6 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 157.1 | 167.4 | -49.5 | -61.5 | 0 | 0 | 0 | 110.4 | P219 F220 N274 T275 L276 | N23-P219 WeakPolarHBondContact OD1-CA 3.4Å; N23-F220 WeakPolarHBondContact CA-O 3.46Å; N23-F220 HydrophobicContact CB-CD1 4.03Å; N23-F220 HydrophobicContact CB-CD2 4.07Å; N23-F220 HydrophobicContact CB-CE1 3.71Å; N23-F220 HydrophobicContact CB-CE2 3.74Å; N23-F220 HydrophobicContact CB-CG 4.2Å; N23-F220 HydrophobicContact CB-CZ 3.54Å; N23-F220 VanDerWaalsContact OD1-CD1 3.22Å; N23-F220 WeakPolarHBondContact OD1-CD1 3.22Å; N23-F220 WeakPolarHBondContact OD1-CE1 3.44Å; N23-F220 PolarHBondContact OD1-N 2.94Å; N23-F220 VanDerWaalsContact OD1-N 3.17Å; N23-N274 PolarHBondContact N-O 2.81Å; N23-N274 PolarHBondContact ND2-O 3.47Å; N23-T275 HydrophobicContact CB-CG2 3.94Å; N23-T275 PolarHBondContact ND2-OG1 3.24Å; N23-T275 CarbonylContact O-C 3.41Å; N23-T275 WeakPolarHBondContact O-CA 3.48Å; N23-L276 PolarHBondContact O-N 2.86Å |
| 24 | F | 98.9 | Very high | 82.3 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.7 | 179.2 | -56.8 | -71.2 | 0 | 0 | 0 | 110.4 | P22 L112 Y117 F220 F221 L222 L276 I341 L344 A345 | P22-F24 HydrophobicContact CG-CE1 4.09Å; P22-F24 HydrophobicContact CG-CE2 4.45Å; P22-F24 HydrophobicContact CG-CZ 3.73Å; F24-L112 HydrophobicContact CD2-CD1 3.99Å; F24-L112 HydrophobicContact CD2-CD2 4.44Å; F24-L112 HydrophobicContact CE2-CD1 4.37Å; F24-L112 HydrophobicContact CE2-CD2 4Å; F24-Y117 HydrophobicContact CD2-CD1 4.33Å; F24-Y117 AromaticContact CD2-CE1 3.57Å; F24-Y117 HydrophobicContact CD2-CE1 3.57Å; F24-Y117 AromaticContact CE2-CE1 3.53Å; F24-Y117 HydrophobicContact CE2-CE1 3.53Å; F24-Y117 AromaticContact CE2-CZ 3.65Å; F24-Y117 WeakPolarHBondContact CE2-OH 3.42Å; F24-F220 PolarHBondContact N-O 3.24Å; F24-F221 HydrophobicContact CB-CB 4.46Å; F24-F221 HydrophobicContact CB-CD2 3.74Å; F24-F221 CarbonylContact O-C 3.59Å; F24-F221 WeakPolarHBondContact O-CA 3.49Å; F24-L222 PolarHBondContact O-N 3.05Å; F24-L276 HydrophobicContact CD1-CB 4.01Å; F24-L276 HydrophobicContact CD1-CD2 4.18Å; F24-L276 HydrophobicContact CE1-CB 4.42Å; F24-L276 HydrophobicContact CE1-CD2 4.34Å; F24-I341 HydrophobicContact CD1-CD1 4.47Å; F24-I341 HydrophobicContact CD1-CG1 3.97Å; F24-I341 HydrophobicContact CD1-CG2 4.36Å; F24-I341 HydrophobicContact CD2-CG2 3.94Å; F24-I341 HydrophobicContact CE1-CB 4.46Å; F24-I341 HydrophobicContact CE1-CG1 4.16Å; F24-I341 HydrophobicContact CE1-CG2 4.26Å; F24-I341 HydrophobicContact CE2-CG2 3.8Å; F24-I341 HydrophobicContact CG-CD1 4.48Å; F24-I341 HydrophobicContact CG-CG1 4.35Å; F24-I341 HydrophobicContact CG-CG2 4.21Å; F24-I341 HydrophobicContact CZ-CG2 3.97Å; F24-L344 HydrophobicContact CE1-CB 3.85Å; F24-L344 HydrophobicContact CE1-CD1 3.94Å; F24-L344 HydrophobicContact CZ-CB 3.75Å; F24-A345 HydrophobicContact CE2-CB 4.06Å; F24-A345 HydrophobicContact CZ-CB 4.21Å |
| 25 | V | 98.9 | Very high | 85.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118 | 170.8 | -180 | 0 | 0 | 0 | 0 | 108.5 | F27 F220 L222 L266 T275 L276 V277 F278 | V25-F27 HydrophobicContact CG1-CD2 4.14Å; V25-F27 HydrophobicContact CG1-CE1 4.12Å; V25-F27 HydrophobicContact CG1-CE2 3.59Å; V25-F27 HydrophobicContact CG1-CZ 3.57Å; V25-F220 HydrophobicContact CG2-CE2 3.89Å; V25-L222 WeakPolarHBondContact CA-O 3.44Å; V25-L222 HydrophobicContact CG1-CB 4.49Å; V25-L222 HydrophobicContact CG1-CD2 4.14Å; V25-L222 HydrophobicContact CG1-CG 4.49Å; V25-L222 HydrophobicContact CG2-CB 4.26Å; V25-L266 HydrophobicContact CG2-CD1 4.18Å; V25-T275 HydrophobicContact CG2-CG2 3.88Å; V25-L276 PolarHBondContact N-O 3.02Å; V25-V277 HydrophobicContact CB-CG2 4.35Å; V25-V277 CarbonylContact O-C 3.49Å; V25-V277 WeakPolarHBondContact O-CA 3.44Å; V25-F278 PolarHBondContact O-N 3.22Å |
| 26 | L | 98.9 | Very high | 88 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.4 | -179.8 | 176 | 60.2 | 0 | 0 | 0 | 109.8 | L77 F221 L222 Y223 Y224 F278 I337 | L26-L77 HydrophobicContact CD2-CD1 4.08Å; L26-L77 HydrophobicContact CD2-CD2 4.01Å; L26-L77 HydrophobicContact CD2-CG 4.32Å; L26-F221 HydrophobicContact CB-CE2 4.08Å; L26-L222 PolarHBondContact N-O 3.07Å; L26-Y223 HydrophobicContact CB-CD2 4.46Å; L26-Y223 HydrophobicContact CD2-CD2 3.93Å; L26-Y223 HydrophobicContact CD2-CE2 4.28Å; L26-Y223 HydrophobicContact CG-CD2 4.14Å; L26-Y224 PolarHBondContact O-N 3.1Å; L26-F278 CarbonylContact C-O 3.52Å; L26-F278 WeakPolarHBondContact CA-O 3.37Å; L26-F278 HydrophobicContact CD1-CB 4.02Å; L26-F278 HydrophobicContact CD1-CD1 4.17Å; L26-F278 HydrophobicContact CD1-CG 4.49Å; L26-I337 HydrophobicContact CD1-CD1 4.15Å; L26-I337 HydrophobicContact CD2-CG2 4.25Å |
| 27 | F | 98.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.3 | 169.8 | -64.6 | -65.4 | 0 | 0 | 0 | 109.9 | V25 Y224 F255 I259 L262 V277 F278 F279 T280 | V25-F27 HydrophobicContact CG1-CD2 4.14Å; V25-F27 HydrophobicContact CG1-CE1 4.12Å; V25-F27 HydrophobicContact CG1-CE2 3.59Å; V25-F27 HydrophobicContact CG1-CZ 3.57Å; F27-Y224 HydrophobicContact CD1-CD1 4Å; F27-Y224 AromaticContact CD1-CG 3.99Å; F27-Y224 HydrophobicContact CD1-CG 3.99Å; F27-Y224 HydrophobicContact CE1-CD1 4.4Å; F27-Y224 HydrophobicContact CE1-CG 4.14Å; F27-F255 HydrophobicContact CB-CZ 4.26Å; F27-F255 HydrophobicContact CD1-CE2 4.31Å; F27-I259 HydrophobicContact CB-CD1 4.35Å; F27-I259 HydrophobicContact CD1-CD1 4.35Å; F27-I259 HydrophobicContact CD1-CG1 3.84Å; F27-I259 HydrophobicContact CD2-CD1 4.44Å; F27-I259 HydrophobicContact CD2-CG1 4.25Å; F27-I259 HydrophobicContact CD2-CG2 4.37Å; F27-I259 HydrophobicContact CE1-CG1 3.95Å; F27-I259 HydrophobicContact CE2-CG1 4.32Å; F27-I259 HydrophobicContact CE2-CG2 4.04Å; F27-I259 HydrophobicContact CG-CD1 4.13Å; F27-I259 HydrophobicContact CG-CG1 4.01Å; F27-I259 HydrophobicContact CZ-CG1 4.17Å; F27-I259 HydrophobicContact CZ-CG2 4.35Å; F27-L262 HydrophobicContact CE1-CD1 3.59Å; F27-L262 HydrophobicContact CZ-CB 3.99Å; F27-L262 HydrophobicContact CZ-CD1 3.91Å; F27-V277 HydrophobicContact CD2-CG1 3.83Å; F27-V277 HydrophobicContact CE2-CG1 3.71Å; F27-F278 PolarHBondContact N-O 3.29Å; F27-F279 HydrophobicContact CB-CB 4.3Å; F27-F279 HydrophobicContact CB-CD2 3.75Å; F27-F279 HydrophobicContact CB-CG 4.49Å; F27-F279 WeakPolarHBondContact O-CA 3.06Å; F27-T280 PolarHBondContact O-N 3.48Å; F27-T280 VanDerWaalsContact O-N 3.09Å |
| 28 | F | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 106.8 | -176.9 | -158.9 | -128.9 | 0 | 0 | 0 | 110.2 | R74 L77 Y223 Y224 P225 S226 T280 A281 D282 T334 | F28-R74 HydrophobicContact CD1-CG 4.36Å; F28-R74 HydrophobicContact CE1-CG 3.7Å; F28-L77 HydrophobicContact CD1-CD2 3.74Å; F28-L77 HydrophobicContact CD2-CD2 3.92Å; F28-L77 HydrophobicContact CE1-CD2 3.59Å; F28-L77 HydrophobicContact CE2-CD2 3.81Å; F28-L77 HydrophobicContact CG-CD2 3.89Å; F28-L77 HydrophobicContact CZ-CB 4.39Å; F28-L77 HydrophobicContact CZ-CD2 3.64Å; F28-Y223 HydrophobicContact CB-CE2 3.84Å; F28-Y223 HydrophobicContact CD1-CE2 4.14Å; F28-Y223 HydrophobicContact CG-CE2 4.25Å; F28-Y224 PolarHBondContact N-O 2.81Å; F28-P225 CarbonylContact O-C 3.42Å; F28-P225 VanDerWaalsContact O-CA 3.31Å; F28-P225 WeakPolarHBondContact O-CA 3.45Å; F28-S226 PolarHBondContact O-N 2.99Å; F28-T280 CarbonylContact C-O 3.39Å; F28-T280 VanDerWaalsContact CA-O 3.31Å; F28-T280 WeakPolarHBondContact CA-O 3.4Å; F28-T280 HydrophobicContact CD2-CG2 3.64Å; F28-T280 HydrophobicContact CE2-CG2 3.73Å; F28-A281 VanDerWaalsContact CE2-C 3.44Å; F28-A281 WeakPolarHBondContact CE2-O 3.49Å; F28-D282 HydrophobicContact CD1-CB 4.22Å; F28-D282 HydrophobicContact CE1-CB 3.38Å; F28-D282 HydrophobicContact CE2-CB 4.26Å; F28-D282 HydrophobicContact CZ-CB 3.4Å; F28-D282 VanDerWaalsContact CZ-CB 3.4Å; F28-T334 HydrophobicContact CE2-CG2 4.18Å |
| 29 | A | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 161.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L32 F255 F279 T280 A281 D282 | A29-L32 HydrophobicContact CB-CB 3.69Å; A29-L32 HydrophobicContact CB-CD2 3.77Å; A29-L32 HydrophobicContact CB-CG 4.36Å; A29-F255 HydrophobicContact CB-CE1 3.85Å; A29-F279 HydrophobicContact CB-CZ 4.37Å; A29-T280 PolarHBondContact N-O 2.78Å; A29-A281 HydrophobicContact CB-CB 4Å; A29-D282 PolarHBondContact O-N 3.19Å; A29-D282 VanDerWaalsContact O-N 3.15Å |
| 30 | D | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -117.7 | 122.9 | 179.2 | -160.2 | 18.8 | 0 | 0 | 0 | 109.4 | L32 C70 R74 K124 H228 T229 H230 D282 | D30-L32 VanDerWaalsContact C-N 3.27Å; D30-L32 PolarHBondContact O-N 3.38Å; D30-C70 PolarHBondContact OD1-SG 3.17Å; D30-R74 VanDerWaalsContact CG-NH2 3.34Å; D30-R74 IonicContact OD1-NH2 3.68Å; D30-R74 PolarHBondContact OD1-NH2 3.07Å; D30-R74 VanDerWaalsContact OD1-NH2 3.12Å; D30-R74 IonicContact OD2-NH2 3.3Å; D30-K124 IonicContact OD1-NZ 3.21Å; D30-K124 PolarHBondContact OD1-NZ 3.36Å; D30-K124 WeakPolarHBondContact OD2-CD 3.47Å; D30-K124 WeakPolarHBondContact OD2-CE 3.41Å; D30-K124 IonicContact OD2-NZ 3.36Å; D30-K124 PolarHBondContact OD2-NZ 2.86Å; D30-H228 PolarHBondContact N-O 3.32Å; D30-T229 CarbonylContact O-C 3.52Å; D30-T229 WeakPolarHBondContact O-CA 3.37Å; D30-T229 PolarHBondContact O-N 2.8Å; D30-T229 PolarHBondContact O-OG1 3.4Å; D30-H230 HydrophobicContact CB-CB 3.92Å; D30-H230 VanDerWaalsContact CG-CB 3.5Å; D30-H230 PolarHBondContact O-N 3.16Å; D30-H230 IonicContact OD1-CD2 3.45Å; D30-H230 WeakPolarHBondContact OD2-CB 3.37Å; D30-H230 IonicContact OD2-CD2 2.71Å; D30-H230 PolarHBondContact OD2-CD2 3.01Å; D30-H230 IonicContact OD2-CG 2.67Å; D30-D282 WeakPolarHBondContact CA-OD1 3.27Å; D30-D282 VanDerWaalsContact OD1-OD2 3.09Å |
| 31 | D | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 54.8 | 33.1 | -178.5 | -67.9 | 0.3 | 0 | 0 | 0 | 115.5 | H230 D282 N283 K303 | D31-H230 IonicContact OD1-CD2 3.82Å; D31-H230 IonicContact OD2-CD2 2.81Å; D31-H230 PolarHBondContact OD2-CD2 3.14Å; D31-H230 IonicContact OD2-CG 3.49Å; D31-H230 IonicContact OD2-NE2 3.63Å; D31-H230 PolarHBondContact OD2-NE2 2.85Å; D31-D282 PolarHBondContact N-OD1 2.93Å; D31-D282 VanDerWaalsContact N-OD1 3.17Å; D31-N283 PolarHBondContact OD1-ND2 3.45Å; D31-K303 WeakPolarHBondContact OD1-CD 3.47Å; D31-K303 VanDerWaalsContact OD1-CE 3.31Å; D31-K303 WeakPolarHBondContact OD1-CE 3.37Å; D31-K303 IonicContact OD1-NZ 2.7Å; D31-K303 PolarHBondContact OD1-NZ 2.98Å; D31-K303 IonicContact OD2-NZ 3.97Å; D31-K303 PolarHBondContact OD2-NZ 3.02Å |
| 32 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -95 | 119.2 | 177.6 | -176 | 77.9 | 0 | 0 | 0 | 110.2 | A29 D30 D36 L37 T229 F248 L252 F279 A281 P314 | A29-L32 HydrophobicContact CB-CB 3.69Å; A29-L32 HydrophobicContact CB-CD2 3.77Å; A29-L32 HydrophobicContact CB-CG 4.36Å; D30-L32 VanDerWaalsContact C-N 3.27Å; D30-L32 PolarHBondContact O-N 3.38Å; L32-D36 HydrophobicContact CD1-CB 3.41Å; L32-D36 VanDerWaalsContact CD1-CB 3.41Å; L32-D36 HydrophobicContact CG-CB 4.02Å; L32-L37 HydrophobicContact CD2-CD2 4.06Å; L32-T229 HydrophobicContact CD1-CG2 4.15Å; L32-F248 HydrophobicContact CD1-CZ 4.12Å; L32-L252 HydrophobicContact CD1-CD1 3.79Å; L32-L252 HydrophobicContact CD1-CD2 4.43Å; L32-F279 HydrophobicContact CD2-CE1 4.14Å; L32-F279 HydrophobicContact CD2-CZ 3.58Å; L32-A281 HydrophobicContact CB-CB 3.89Å; L32-A281 VanDerWaalsContact O-CB 3.3Å; L32-A281 WeakPolarHBondContact O-CB 3.39Å; L32-P314 HydrophobicContact CD2-CG 4.11Å | ||
| 33 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -81.4 | 160.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G35 D36 N295 | G33-G35 PolarHBondContact O-N 3.39Å; G33-G35 VanDerWaalsContact O-N 3.1Å; G33-D36 WeakPolarHBondContact CA-OD2 3.07Å; G33-D36 PolarHBondContact N-OD2 3.02Å; G33-D36 WeakPolarHBondContact O-CB 3.38Å; G33-D36 PolarHBondContact O-N 3.05Å; G33-D36 VanDerWaalsContact O-N 3.08Å; G33-N295 CarbonylContact C-O 3.56Å; G33-N295 WeakPolarHBondContact CA-O 3.34Å | ||
| 34 | F | 98.9 | Very high | 98.8 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 10% | 0.096 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -34.5 | 176.9 | -169.9 | -94.6 | 0 | 0 | 0 | 114.1 | Y40 L299 R312 | F34-Y40 HydrophobicContact CD1-CD1 4.2Å; F34-Y40 HydrophobicContact CD2-CD1 4.27Å; F34-Y40 HydrophobicContact CD2-CE1 4.18Å; F34-Y40 AromaticContact CE1-CD1 3.93Å; F34-Y40 HydrophobicContact CE1-CD1 3.93Å; F34-Y40 HydrophobicContact CE1-CE1 4.42Å; F34-Y40 HydrophobicContact CE2-CD1 4Å; F34-Y40 AromaticContact CE2-CE1 3.71Å; F34-Y40 HydrophobicContact CE2-CE1 3.71Å; F34-Y40 HydrophobicContact CG-CD1 4.37Å; F34-Y40 AromaticContact CZ-CD1 3.82Å; F34-Y40 HydrophobicContact CZ-CD1 3.82Å; F34-Y40 AromaticContact CZ-CE1 3.84Å; F34-Y40 HydrophobicContact CZ-CE1 3.84Å; F34-Y40 WeakPolarHBondContact O-CB 3.41Å; F34-Y40 WeakPolarHBondContact O-CD1 3.23Å; F34-L299 HydrophobicContact CB-CD1 3.49Å; F34-L299 VanDerWaalsContact CB-CD1 3.49Å; F34-L299 HydrophobicContact CB-CG 4.37Å; F34-L299 HydrophobicContact CD1-CD1 3.85Å; F34-L299 HydrophobicContact CD1-CG 4.17Å; F34-L299 HydrophobicContact CD2-CD1 4Å; F34-L299 HydrophobicContact CG-CD1 3.51Å; F34-L299 HydrophobicContact CG-CG 4.32Å; F34-R312 HydrophobicContact CD2-CG 4.13Å; F34-R312 HydrophobicContact CE2-CG 4.24Å |
| 35 | G | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 10.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G33 H42 N295 | G33-G35 PolarHBondContact O-N 3.39Å; G33-G35 VanDerWaalsContact O-N 3.1Å; G35-H42 VanDerWaalsContact O-CB 3.23Å; G35-H42 WeakPolarHBondContact O-CB 3.35Å; G35-H42 PolarHBondContact O-CD2 3.29Å; G35-H42 VanDerWaalsContact O-CD2 3.25Å; G35-N295 CarbonylContact C-O 3.51Å; G35-N295 VanDerWaalsContact CA-O 3.32Å; G35-N295 WeakPolarHBondContact CA-O 3.5Å; G35-N295 PolarHBondContact N-O 3.43Å |
| 36 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -88.7 | -28 | -170.1 | -78.7 | -38 | 0 | 0 | 0 | 115.6 | L32 G33 H42 S45 R245 F248 G294 N295 | L32-D36 HydrophobicContact CD1-CB 3.41Å; L32-D36 VanDerWaalsContact CD1-CB 3.41Å; L32-D36 HydrophobicContact CG-CB 4.02Å; G33-D36 WeakPolarHBondContact CA-OD2 3.07Å; G33-D36 PolarHBondContact N-OD2 3.02Å; G33-D36 WeakPolarHBondContact O-CB 3.38Å; G33-D36 PolarHBondContact O-N 3.05Å; G33-D36 VanDerWaalsContact O-N 3.08Å; D36-H42 WeakPolarHBondContact O-CB 3.25Å; D36-S45 WeakPolarHBondContact O-CB 3.3Å; D36-S45 PolarHBondContact O-OG 3.2Å; D36-R245 IonicContact OD1-CZ 2.99Å; D36-R245 IonicContact OD1-NH1 3.57Å; D36-R245 PolarHBondContact OD1-NH1 3.41Å; D36-R245 IonicContact OD1-NH2 2.86Å; D36-R245 PolarHBondContact OD1-NH2 2.87Å; D36-F248 HydrophobicContact CB-CE1 4.47Å; D36-G294 WeakPolarHBondContact OD2-CA 3.4Å; D36-N295 VanDerWaalsContact CG-N 3.26Å; D36-N295 VanDerWaalsContact OD1-CB 3.32Å; D36-N295 WeakPolarHBondContact OD1-CB 3.34Å; D36-N295 PolarHBondContact OD1-N 2.91Å; D36-N295 PolarHBondContact OD2-N 3.27Å | ||
| 37 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -81.9 | 150.1 | -178.5 | -55.8 | -176 | 0 | 0 | 0 | 111.8 | L32 C39 Y40 G41 H42 T47 L50 L252 F279 P314 I316 | L32-L37 HydrophobicContact CD2-CD2 4.06Å; L37-C39 VanDerWaalsContact C-N 3.34Å; L37-C39 PolarHBondContact O-N 2.8Å; L37-Y40 HydrophobicContact CB-CD2 3.89Å; L37-Y40 HydrophobicContact CB-CG 4.45Å; L37-Y40 HydrophobicContact CD1-CD2 3.85Å; L37-Y40 HydrophobicContact CD1-CE2 3.99Å; L37-Y40 HydrophobicContact CG-CD2 4.3Å; L37-Y40 CarbonylContact O-C 3.43Å; L37-Y40 WeakPolarHBondContact O-CA 3.48Å; L37-Y40 PolarHBondContact O-N 3.32Å; L37-G41 PolarHBondContact O-N 3.26Å; L37-G41 VanDerWaalsContact O-N 3.14Å; L37-H42 PolarHBondContact O-N 3.41Å; L37-T47 HydrophobicContact CD2-CG2 3.95Å; L37-L50 HydrophobicContact CD2-CD1 3.66Å; L37-L252 HydrophobicContact CD2-CD1 4.3Å; L37-F279 HydrophobicContact CD1-CD1 4.49Å; L37-F279 HydrophobicContact CD1-CE1 3.78Å; L37-F279 HydrophobicContact CD1-CZ 4.37Å; L37-F279 HydrophobicContact CD2-CZ 4.43Å; L37-P314 HydrophobicContact CD1-CB 3.97Å; L37-P314 HydrophobicContact CD1-CG 4.46Å; L37-P314 HydrophobicContact CG-CB 4.43Å; L37-I316 HydrophobicContact CD1-CD1 4.28Å |
| 38 | G | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 25% | 0.247 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -56.9 | -47 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y40 G41 T47 | G38-Y40 PolarHBondContact O-N 2.89Å; G38-Y40 VanDerWaalsContact O-N 3.11Å; G38-G41 PolarHBondContact O-N 2.67Å; G38-T47 PolarHBondContact N-OG1 2.97Å |
| 39 | C | 98.8 | Very high | 98.7 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -67.3 | -5.9 | 174.7 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | L37 D51 A54 | L37-C39 VanDerWaalsContact C-N 3.34Å; L37-C39 PolarHBondContact O-N 2.8Å; C39-D51 HydrophobicContact CB-CB 4.24Å; C39-D51 VanDerWaalsContact CB-OD1 3.3Å; C39-D51 WeakPolarHBondContact CB-OD1 3.44Å; C39-D51 PolarHBondContact N-OD1 3.39Å; C39-D51 PolarHBondContact SG-OD1 2.82Å; C39-A54 HydrophobicContact CB-CB 3.89Å |
| 40 | Y | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 11% | 0.106 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -107.2 | 1.5 | 169.7 | -78.4 | -106.8 | 0 | 0 | 0 | 113.1 | F34 L37 G38 R59 F60 P314 A315 | F34-Y40 HydrophobicContact CD1-CD1 4.2Å; F34-Y40 HydrophobicContact CD2-CD1 4.27Å; F34-Y40 HydrophobicContact CD2-CE1 4.18Å; F34-Y40 AromaticContact CE1-CD1 3.93Å; F34-Y40 HydrophobicContact CE1-CD1 3.93Å; F34-Y40 HydrophobicContact CE1-CE1 4.42Å; F34-Y40 HydrophobicContact CE2-CD1 4Å; F34-Y40 AromaticContact CE2-CE1 3.71Å; F34-Y40 HydrophobicContact CE2-CE1 3.71Å; F34-Y40 HydrophobicContact CG-CD1 4.37Å; F34-Y40 AromaticContact CZ-CD1 3.82Å; F34-Y40 HydrophobicContact CZ-CD1 3.82Å; F34-Y40 AromaticContact CZ-CE1 3.84Å; F34-Y40 HydrophobicContact CZ-CE1 3.84Å; F34-Y40 WeakPolarHBondContact O-CB 3.41Å; F34-Y40 WeakPolarHBondContact O-CD1 3.23Å; L37-Y40 HydrophobicContact CB-CD2 3.89Å; L37-Y40 HydrophobicContact CB-CG 4.45Å; L37-Y40 HydrophobicContact CD1-CD2 3.85Å; L37-Y40 HydrophobicContact CD1-CE2 3.99Å; L37-Y40 HydrophobicContact CG-CD2 4.3Å; L37-Y40 CarbonylContact O-C 3.43Å; L37-Y40 WeakPolarHBondContact O-CA 3.48Å; L37-Y40 PolarHBondContact O-N 3.32Å; G38-Y40 PolarHBondContact O-N 2.89Å; G38-Y40 VanDerWaalsContact O-N 3.11Å; Y40-R59 HydrophobicContact CE1-CG 4.5Å; Y40-R59 HydrophobicContact CE2-CG 3.66Å; Y40-R59 WeakPolarHBondContact OH-CG 3.43Å; Y40-F60 WeakPolarHBondContact CE1-O 3.42Å; Y40-F60 PolarHBondContact OH-O 3.3Å; Y40-P314 HydrophobicContact CD1-CB 4.21Å; Y40-P314 HydrophobicContact CD2-CB 4.13Å; Y40-P314 HydrophobicContact CE1-CB 3.9Å; Y40-P314 HydrophobicContact CE2-CB 3.78Å; Y40-P314 HydrophobicContact CG-CB 4.32Å; Y40-A315 PolarHBondContact OH-N 3.39Å; Y40-A315 PolarHBondContact OH-O 2.96Å |
| 41 | G | 98.4 | Very high | 98.7 | Very high | 62 Ų | 62 | 28.4 Ų | 28.4 | 64% | 0.639 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 105.8 | 8.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L37 G38 | L37-G41 PolarHBondContact O-N 3.26Å; L37-G41 VanDerWaalsContact O-N 3.14Å; G38-G41 PolarHBondContact O-N 2.67Å |
| 42 | H | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | trans | -64.3 | 130.8 | 176.2 | -160.7 | -90.3 | 0 | 0 | 0 | 111 | G35 D36 L37 S44 S45 R245 | G35-H42 VanDerWaalsContact O-CB 3.23Å; G35-H42 WeakPolarHBondContact O-CB 3.35Å; G35-H42 PolarHBondContact O-CD2 3.29Å; G35-H42 VanDerWaalsContact O-CD2 3.25Å; D36-H42 WeakPolarHBondContact O-CB 3.25Å; L37-H42 PolarHBondContact O-N 3.41Å; H42-S44 VanDerWaalsContact C-N 3.33Å; H42-S44 PolarHBondContact CE1-OG 3.24Å; H42-S44 VanDerWaalsContact CE1-OG 3.29Å; H42-S44 PolarHBondContact ND1-N 3.5Å; H42-S44 PolarHBondContact O-N 3Å; H42-S45 WeakPolarHBondContact CB-OG 3.22Å; H42-S45 PolarHBondContact ND1-N 3.39Å; H42-S45 VanDerWaalsContact ND1-N 3.1Å; H42-S45 PolarHBondContact ND1-OG 3.34Å; H42-R245 PolarHBondContact CD2-NH1 3.06Å; H42-R245 VanDerWaalsContact CD2-NH1 3.3Å; H42-R245 WeakPolarHBondContact CE1-CD 3.35Å; H42-R245 VanDerWaalsContact CE1-CZ 3.49Å; H42-R245 PolarHBondContact CE1-NE 3.4Å; H42-R245 VanDerWaalsContact CE1-NE 3.28Å; H42-R245 PolarHBondContact NE2-NE 2.92Å; H42-R245 PolarHBondContact NE2-NH1 2.72Å | ||
| 43 | P | 98.4 | Very high | 98.7 | Very high | 125 Ų | 125 | 33.3 Ų | 33.3 | 81% | 0.812 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -72.9 | -20.1 | -171.6 | 27.7 | -36.9 | 0 | 0 | 0 | 114.9 | ||
| 44 | S | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -136.6 | 4.5 | -172.4 | 63 | 0 | 0 | 0 | 0 | 115 | H42 | H42-S44 VanDerWaalsContact C-N 3.33Å; H42-S44 PolarHBondContact CE1-OG 3.24Å; H42-S44 VanDerWaalsContact CE1-OG 3.29Å; H42-S44 PolarHBondContact ND1-N 3.5Å; H42-S44 PolarHBondContact O-N 3Å |
| 45 | S | 98.7 | Very high | 98.7 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | trans | -72.9 | 139.3 | 175.8 | -70.5 | 0 | 0 | 0 | 0 | 109.7 | D36 H42 R245 | D36-S45 WeakPolarHBondContact O-CB 3.3Å; D36-S45 PolarHBondContact O-OG 3.2Å; H42-S45 WeakPolarHBondContact CB-OG 3.22Å; H42-S45 PolarHBondContact ND1-N 3.39Å; H42-S45 VanDerWaalsContact ND1-N 3.1Å; H42-S45 PolarHBondContact ND1-OG 3.34Å; S45-R245 PolarHBondContact OG-NH1 3.43Å | ||
| 46 | L | 98.4 | Very high | 98.7 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | trans | -105 | 91.2 | 177.5 | -175.5 | 62.5 | 0 | 0 | 0 | 108.9 | F253 | L46-F253 HydrophobicContact CB-CB 4.48Å; L46-F253 HydrophobicContact CB-CD2 4.11Å; L46-F253 HydrophobicContact CB-CG 4.45Å; L46-F253 HydrophobicContact CD2-CD1 4.16Å; L46-F253 HydrophobicContact CD2-CD2 3.51Å; L46-F253 HydrophobicContact CD2-CE1 4.2Å; L46-F253 HydrophobicContact CD2-CE2 3.54Å; L46-F253 HydrophobicContact CD2-CG 3.83Å; L46-F253 HydrophobicContact CD2-CZ 3.9Å; L46-F253 HydrophobicContact CG-CD2 3.54Å; L46-F253 HydrophobicContact CG-CE2 3.78Å; L46-F253 HydrophobicContact CG-CG 4.19Å; L46-F253 WeakPolarHBondContact O-CD2 3.37Å | ||
| 47 | T | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | trans | -128.2 | 52 | -177.6 | 56 | 0 | 0 | 0 | 0 | 113.2 | L37 G38 N49 L50 D51 L252 D256 | L37-T47 HydrophobicContact CD2-CG2 3.95Å; G38-T47 PolarHBondContact N-OG1 2.97Å; T47-N49 VanDerWaalsContact C-N 3.28Å; T47-N49 PolarHBondContact O-N 3.17Å; T47-L50 HydrophobicContact CG2-CD1 4.46Å; T47-L50 PolarHBondContact O-N 3.34Å; T47-D51 VanDerWaalsContact O-CB 3.32Å; T47-D51 WeakPolarHBondContact O-CB 3.3Å; T47-D51 PolarHBondContact O-N 2.73Å; T47-D51 PolarHBondContact OG1-OD1 3.36Å; T47-L252 HydrophobicContact CG2-CD1 3.97Å; T47-L252 HydrophobicContact CG2-CD2 3.69Å; T47-L252 HydrophobicContact CG2-CG 3.62Å; T47-D256 VanDerWaalsContact C-CG 3.5Å; T47-D256 VanDerWaalsContact CA-CG 3.48Å; T47-D256 VanDerWaalsContact CA-OD1 3.27Å; T47-D256 WeakPolarHBondContact CA-OD1 3.44Å; T47-D256 HydrophobicContact CG2-CB 4.48Å | ||
| 48 | P | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -31.3 | -171.8 | 26.1 | -36.3 | 0 | 0 | 0 | 114.1 | R52 D256 | P48-R52 WeakPolarHBondContact O-CB 3.41Å; P48-R52 PolarHBondContact O-N 2.93Å; P48-D256 WeakPolarHBondContact CD-OD2 3.26Å; P48-D256 WeakPolarHBondContact CG-OD2 3.46Å |
| 49 | N | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.8 | -43.8 | -179.2 | -65.6 | -75.8 | 0 | 0 | 0 | 111.7 | T47 D51 R52 L53 D256 G260 | T47-N49 VanDerWaalsContact C-N 3.28Å; T47-N49 PolarHBondContact O-N 3.17Å; N49-D51 VanDerWaalsContact C-N 3.31Å; N49-R52 WeakPolarHBondContact O-CB 3.4Å; N49-R52 PolarHBondContact O-N 3.48Å; N49-L53 WeakPolarHBondContact O-CG 3.3Å; N49-L53 PolarHBondContact O-N 3Å; N49-D256 WeakPolarHBondContact CB-O 3.37Å; N49-D256 WeakPolarHBondContact CB-OD2 3.34Å; N49-D256 PolarHBondContact N-OD1 2.57Å; N49-D256 VanDerWaalsContact N-OD1 3.1Å; N49-D256 PolarHBondContact N-OD2 2.88Å; N49-D256 PolarHBondContact ND2-O 2.85Å; N49-D256 PolarHBondContact ND2-OD2 3.04Å; N49-G260 VanDerWaalsContact CG-CA 3.41Å; N49-G260 VanDerWaalsContact OD1-CA 3.26Å; N49-G260 WeakPolarHBondContact OD1-CA 3.32Å |
| 50 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 173.2 | -74.6 | 165.8 | 0 | 0 | 0 | 111.4 | L37 T47 R52 L53 A54 D256 I259 F279 I316 | L37-L50 HydrophobicContact CD2-CD1 3.66Å; T47-L50 HydrophobicContact CG2-CD1 4.46Å; T47-L50 PolarHBondContact O-N 3.34Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.96Å; L50-L53 HydrophobicContact CD2-CD1 4.48Å; L50-L53 PolarHBondContact O-N 2.8Å; L50-A54 WeakPolarHBondContact O-CB 3.22Å; L50-A54 PolarHBondContact O-N 3.2Å; L50-D256 WeakPolarHBondContact CB-OD1 3.25Å; L50-D256 HydrophobicContact CD1-CB 4.48Å; L50-D256 WeakPolarHBondContact CG-OD1 3.48Å; L50-D256 PolarHBondContact N-OD1 3.15Å; L50-I259 HydrophobicContact CD1-CD1 4.15Å; L50-I259 HydrophobicContact CD2-CD1 3.66Å; L50-I259 HydrophobicContact CG-CD1 3.97Å; L50-F279 HydrophobicContact CD1-CE2 3.87Å; L50-F279 HydrophobicContact CD1-CZ 3.9Å; L50-F279 HydrophobicContact CD2-CB 4.24Å; L50-F279 HydrophobicContact CD2-CD1 3.96Å; L50-F279 HydrophobicContact CD2-CD2 3.4Å; L50-F279 HydrophobicContact CD2-CE1 4.17Å; L50-F279 HydrophobicContact CD2-CE2 3.59Å; L50-F279 HydrophobicContact CD2-CG 3.58Å; L50-F279 HydrophobicContact CD2-CZ 3.97Å; L50-F279 HydrophobicContact CG-CE2 4.4Å; L50-I316 HydrophobicContact CD2-CD1 4.34Å |
| 51 | D | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175 | -67.5 | -0.4 | 0 | 0 | 0 | 111.2 | C39 T47 N49 A54 A55 | C39-D51 HydrophobicContact CB-CB 4.24Å; C39-D51 VanDerWaalsContact CB-OD1 3.3Å; C39-D51 WeakPolarHBondContact CB-OD1 3.44Å; C39-D51 PolarHBondContact N-OD1 3.39Å; C39-D51 PolarHBondContact SG-OD1 2.82Å; T47-D51 VanDerWaalsContact O-CB 3.32Å; T47-D51 WeakPolarHBondContact O-CB 3.3Å; T47-D51 PolarHBondContact O-N 2.73Å; T47-D51 PolarHBondContact OG1-OD1 3.36Å; N49-D51 VanDerWaalsContact C-N 3.31Å; D51-A54 PolarHBondContact O-N 3.17Å; D51-A55 WeakPolarHBondContact O-CB 3.05Å; D51-A55 PolarHBondContact O-N 2.96Å |
| 52 | R | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 35.6 Ų | 35.6 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.3 | -178.3 | 175.5 | 66.4 | 116.7 | -4.9 | 112 | P48 N49 L50 A55 G56 E267 | P48-R52 WeakPolarHBondContact O-CB 3.41Å; P48-R52 PolarHBondContact O-N 2.93Å; N49-R52 WeakPolarHBondContact O-CB 3.4Å; N49-R52 PolarHBondContact O-N 3.48Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.96Å; R52-A55 PolarHBondContact O-N 3.27Å; R52-G56 PolarHBondContact O-N 2.73Å; R52-E267 IonicContact NH1-OE1 2.74Å; R52-E267 PolarHBondContact NH1-OE1 2.9Å |
| 53 | L | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.7 | -69.6 | 179.9 | 0 | 0 | 0 | 111.5 | N49 L50 G56 G57 I259 I263 V277 I316 F318 | N49-L53 WeakPolarHBondContact O-CG 3.3Å; N49-L53 PolarHBondContact O-N 3Å; L50-L53 HydrophobicContact CD2-CD1 4.48Å; L50-L53 PolarHBondContact O-N 2.8Å; L53-G56 PolarHBondContact O-N 2.91Å; L53-G57 WeakPolarHBondContact O-CA 3.37Å; L53-G57 PolarHBondContact O-N 3.42Å; L53-I259 HydrophobicContact CD1-CG2 3.66Å; L53-I263 HydrophobicContact CD1-CD1 4.31Å; L53-I263 HydrophobicContact CD1-CG1 4.3Å; L53-I263 HydrophobicContact CD2-CD1 3.88Å; L53-I263 HydrophobicContact CD2-CG1 4.07Å; L53-V277 HydrophobicContact CD1-CG1 4.5Å; L53-I316 HydrophobicContact CB-CG2 4.13Å; L53-F318 HydrophobicContact CD2-CB 4.14Å; L53-F318 HydrophobicContact CD2-CD1 3.55Å; L53-F318 HydrophobicContact CD2-CD2 4.05Å; L53-F318 HydrophobicContact CD2-CE1 3.81Å; L53-F318 HydrophobicContact CD2-CE2 4.3Å; L53-F318 HydrophobicContact CD2-CG 3.66Å; L53-F318 HydrophobicContact CD2-CZ 4.15Å |
| 54 | A | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C39 L50 D51 G56 R59 I316 | C39-A54 HydrophobicContact CB-CB 3.89Å; L50-A54 WeakPolarHBondContact O-CB 3.22Å; L50-A54 PolarHBondContact O-N 3.2Å; D51-A54 PolarHBondContact O-N 3.17Å; A54-G56 VanDerWaalsContact C-N 3.34Å; A54-R59 HydrophobicContact CB-CB 4.49Å; A54-I316 HydrophobicContact CB-CD1 3.81Å; A54-I316 HydrophobicContact CB-CG1 4.19Å |
| 55 | A | 98.7 | Very high | 98.8 | Very high | 78 Ų | 78 | 26.5 Ų | 26.5 | 65% | 0.645 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -68.1 | -32.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D51 R52 | D51-A55 WeakPolarHBondContact O-CB 3.05Å; D51-A55 PolarHBondContact O-N 2.96Å; R52-A55 PolarHBondContact O-N 3.27Å |
| 56 | G | 98.3 | Very high | 98.7 | Very high | 27 Ų | 27 | 25.7 Ų | 25.7 | 28% | 0.278 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -94.9 | -3.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | R52 L53 A54 | R52-G56 PolarHBondContact O-N 2.73Å; L53-G56 PolarHBondContact O-N 2.91Å; A54-G56 VanDerWaalsContact C-N 3.34Å |
| 57 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -130.7 | -163.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | L53 A317 P325 G326 | L53-G57 WeakPolarHBondContact O-CA 3.37Å; L53-G57 PolarHBondContact O-N 3.42Å; G57-A317 CarbonylContact C-O 3.38Å; G57-A317 VanDerWaalsContact CA-O 3.31Å; G57-A317 WeakPolarHBondContact CA-O 3.35Å; G57-P325 CarbonylContact O-C 3.58Å; G57-P325 VanDerWaalsContact O-CA 3.25Å; G57-P325 WeakPolarHBondContact O-CA 3.49Å; G57-G326 PolarHBondContact O-N 3.01Å |
| 58 | L | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.4 | 175.4 | -169.2 | 67.3 | 0 | 0 | 0 | 109.6 | F60 I316 A317 I323 G326 T328 L363 | L58-F60 HydrophobicContact CD2-CE2 4.38Å; L58-F60 HydrophobicContact CD2-CZ 4.13Å; L58-F60 HydrophobicContact CG-CE2 4.44Å; L58-I316 WeakPolarHBondContact O-CA 3.36Å; L58-A317 PolarHBondContact N-O 3.26Å; L58-A317 PolarHBondContact O-N 2.94Å; L58-I323 HydrophobicContact CB-CG2 3.71Å; L58-G326 WeakPolarHBondContact CA-O 3.47Å; L58-T328 HydrophobicContact CD1-CG2 4.3Å; L58-T328 HydrophobicContact CD2-CG2 3.93Å; L58-T328 HydrophobicContact CG-CG2 3.95Å; L58-L363 HydrophobicContact CD2-CD2 4.21Å |
| 59 | R | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 19.8 Ų | 19.8 | 21% | 0.211 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.3 | 174.5 | -171.8 | 178.2 | 67.9 | 93 | -0.9 | 110.4 | Y40 A54 G326 V327 T328 | Y40-R59 HydrophobicContact CE1-CG 4.5Å; Y40-R59 HydrophobicContact CE2-CG 3.66Å; Y40-R59 WeakPolarHBondContact OH-CG 3.43Å; A54-R59 HydrophobicContact CB-CB 4.49Å; R59-G326 PolarHBondContact N-O 2.83Å; R59-V327 CarbonylContact O-C 3.51Å; R59-V327 VanDerWaalsContact O-CA 3.29Å; R59-V327 WeakPolarHBondContact O-CA 3.42Å; R59-T328 PolarHBondContact O-N 3.36Å |
| 60 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.1 | -178.9 | -64.2 | -108.5 | 0 | 0 | 0 | 110.8 | Y40 L58 F63 F278 A315 A317 T328 A332 L362 L363 | Y40-F60 WeakPolarHBondContact CE1-O 3.42Å; Y40-F60 PolarHBondContact OH-O 3.3Å; L58-F60 HydrophobicContact CD2-CE2 4.38Å; L58-F60 HydrophobicContact CD2-CZ 4.13Å; L58-F60 HydrophobicContact CG-CE2 4.44Å; F60-F63 HydrophobicContact CB-CB 3.93Å; F60-F63 HydrophobicContact CD1-CD2 4.29Å; F60-F63 HydrophobicContact CG-CB 4.48Å; F60-F63 HydrophobicContact CG-CD2 4.47Å; F60-F278 HydrophobicContact CE2-CE2 4.26Å; F60-F278 HydrophobicContact CE2-CZ 4.2Å; F60-F278 HydrophobicContact CZ-CE2 4.35Å; F60-F278 HydrophobicContact CZ-CZ 4.38Å; F60-A315 HydrophobicContact CB-CB 4.1Å; F60-A315 HydrophobicContact CD2-CB 4.04Å; F60-A315 HydrophobicContact CG-CB 4.24Å; F60-A315 PolarHBondContact N-O 3.14Å; F60-A317 HydrophobicContact CE2-CB 3.9Å; F60-A317 HydrophobicContact CZ-CB 4.45Å; F60-T328 HydrophobicContact CB-CG2 4.32Å; F60-T328 HydrophobicContact CD1-CG2 3.43Å; F60-T328 VanDerWaalsContact CD1-CG2 3.43Å; F60-T328 HydrophobicContact CD2-CG2 4.4Å; F60-T328 HydrophobicContact CE1-CG2 3.75Å; F60-T328 HydrophobicContact CG-CG2 3.8Å; F60-T328 HydrophobicContact CZ-CG2 4.35Å; F60-A332 HydrophobicContact CD1-CB 4.02Å; F60-A332 HydrophobicContact CE1-CB 3.95Å; F60-L362 HydrophobicContact CE1-CD2 3.85Å; F60-L363 HydrophobicContact CE2-CD2 4.5Å; F60-L363 HydrophobicContact CZ-CD2 3.86Å |
| 61 | T | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 13% | 0.129 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -9.5 | 170.6 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | R312 V327 T328 H329 | T61-R312 WeakPolarHBondContact O-CD 3.37Å; T61-R312 PolarHBondContact O-NH1 3.35Å; T61-R312 VanDerWaalsContact O-NH1 3.1Å; T61-V327 HydrophobicContact CG2-CG1 3.71Å; T61-T328 PolarHBondContact N-O 3.32Å; T61-T328 PolarHBondContact OG1-O 3.26Å; T61-H329 WeakPolarHBondContact OG1-CA 3.23Å; T61-H329 PolarHBondContact OG1-ND1 3.17Å |
| 62 | D | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 16 Ų | 16 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 52.9 | -170.1 | -68.5 | -93.6 | 0 | 0 | 0 | 110.7 | Y64 R312 M331 A332 R391 | D62-Y64 HydrophobicContact CB-CE2 4.32Å; D62-R312 IonicContact OD1-CZ 2.71Å; D62-R312 IonicContact OD1-NH1 2.68Å; D62-R312 PolarHBondContact OD1-NH1 3.24Å; D62-R312 VanDerWaalsContact OD1-NH1 3.08Å; D62-R312 IonicContact OD1-NH2 3.77Å; D62-M331 WeakPolarHBondContact O-CA 3.05Å; D62-A332 PolarHBondContact O-N 2.82Å; D62-R391 IonicContact OD1-CZ 3.72Å; D62-R391 IonicContact OD1-NH1 2.82Å; D62-R391 PolarHBondContact OD1-NH1 2.79Å; D62-R391 IonicContact OD1-NH2 3.81Å; D62-R391 PolarHBondContact OD1-NH2 2.79Å |
| 63 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.5 | 177 | -169.4 | -88.9 | 0 | 0 | 0 | 110.9 | F60 F278 T280 R312 E313 A315 A332 T334 I337 | F60-F63 HydrophobicContact CB-CB 3.93Å; F60-F63 HydrophobicContact CD1-CD2 4.29Å; F60-F63 HydrophobicContact CG-CB 4.48Å; F60-F63 HydrophobicContact CG-CD2 4.47Å; F63-F278 HydrophobicContact CD2-CZ 4.35Å; F63-F278 AromaticContact CE2-CE1 3.92Å; F63-F278 HydrophobicContact CE2-CE1 3.92Å; F63-F278 AromaticContact CE2-CZ 3.68Å; F63-F278 HydrophobicContact CE2-CZ 3.68Å; F63-F278 AromaticContact CZ-CE1 3.87Å; F63-F278 HydrophobicContact CZ-CE1 3.87Å; F63-F278 HydrophobicContact CZ-CZ 4.11Å; F63-T280 WeakPolarHBondContact CD1-OG1 3.36Å; F63-T280 HydrophobicContact CE1-CG2 3.91Å; F63-T280 WeakPolarHBondContact CE1-OG1 3.48Å; F63-T280 HydrophobicContact CZ-CG2 4.3Å; F63-R312 CarbonylContact O-C 3.56Å; F63-R312 WeakPolarHBondContact O-CA 3.35Å; F63-R312 WeakPolarHBondContact O-CG 3.14Å; F63-E313 HydrophobicContact CD1-CB 4.48Å; F63-E313 PolarHBondContact O-N 2.99Å; F63-A315 HydrophobicContact CB-CB 3.64Å; F63-A315 HydrophobicContact CD1-CB 3.63Å; F63-A315 HydrophobicContact CD2-CB 3.77Å; F63-A315 HydrophobicContact CE1-CB 4.19Å; F63-A315 HydrophobicContact CE2-CB 4.33Å; F63-A315 HydrophobicContact CG-CB 3.39Å; F63-A332 CarbonylContact C-O 3.6Å; F63-A332 WeakPolarHBondContact CA-O 3.34Å; F63-A332 HydrophobicContact CD2-CB 3.64Å; F63-A332 HydrophobicContact CE2-CB 4.11Å; F63-T334 HydrophobicContact CE1-CG2 3.67Å; F63-T334 HydrophobicContact CZ-CG2 4.1Å; F63-I337 HydrophobicContact CZ-CD1 4.11Å |
| 64 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | -169.8 | -69.4 | -95.9 | 0 | 0 | 0 | 114.4 | D62 D308 M311 R312 M331 A332 S333 T334 M374 F376 R391 | D62-Y64 HydrophobicContact CB-CE2 4.32Å; Y64-D308 PolarHBondContact OH-OD2 2.68Å; Y64-M311 CarbonylContact C-O 3.56Å; Y64-M311 WeakPolarHBondContact CA-O 3.24Å; Y64-M311 WeakPolarHBondContact CD1-O 3.31Å; Y64-R312 HydrophobicContact CD1-CB 4.01Å; Y64-R312 HydrophobicContact CD1-CG 4.38Å; Y64-R312 HydrophobicContact CE1-CB 3.7Å; Y64-R312 HydrophobicContact CE1-CG 3.98Å; Y64-R312 HydrophobicContact CE2-CG 4.16Å; Y64-R312 PolarHBondContact OH-NE 3.49Å; Y64-R312 PolarHBondContact OH-NH2 3.33Å; Y64-M331 HydrophobicContact CD2-CG 4.32Å; Y64-M331 HydrophobicContact CE2-CG 4.36Å; Y64-A332 PolarHBondContact N-O 2.94Å; Y64-S333 CarbonylContact O-C 3.36Å; Y64-S333 WeakPolarHBondContact O-CA 3.26Å; Y64-S333 VanDerWaalsContact O-CB 3.3Å; Y64-S333 WeakPolarHBondContact O-CB 3.34Å; Y64-S333 PolarHBondContact O-OG 3.43Å; Y64-T334 PolarHBondContact O-N 3.01Å; Y64-M374 HydrophobicContact CD1-CG 4.4Å; Y64-M374 HydrophobicContact CG-CG 4.1Å; Y64-F376 AromaticContact CD1-CE1 3.56Å; Y64-F376 HydrophobicContact CD1-CE1 3.56Å; Y64-F376 AromaticContact CD1-CZ 3.7Å; Y64-F376 HydrophobicContact CD1-CZ 3.7Å; Y64-F376 AromaticContact CE1-CE1 3.73Å; Y64-F376 HydrophobicContact CE1-CE1 3.73Å; Y64-F376 AromaticContact CE1-CZ 3.62Å; Y64-F376 HydrophobicContact CE1-CZ 3.62Å; Y64-R391 VanDerWaalsContact CZ-NH1 3.26Å; Y64-R391 PolarHBondContact OH-NH1 2.87Å |
| 65 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -85.2 | 170.1 | 161 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | S67 S73 D282 M311 E313 T334 M374 | C65-S67 PolarHBondContact SG-O 2.9Å; C65-S73 WeakPolarHBondContact CB-OG 3.34Å; C65-D282 WeakPolarHBondContact CB-O 3.21Å; C65-D282 PolarHBondContact SG-O 3.14Å; C65-M311 PolarHBondContact N-O 2.98Å; C65-M311 WeakPolarHBondContact O-CE 3.37Å; C65-M311 VanDerWaalsContact SG-CA 3.55Å; C65-E313 HydrophobicContact CB-CG 4.2Å; C65-T334 HydrophobicContact CB-CG2 4.32Å; C65-M374 WeakPolarHBondContact O-CE 3.38Å | ||
| 66 | T | 97.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -99.3 | -12.1 | -174 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | S76 Y82 Q83 M311 L335 M374 | T66-S76 WeakPolarHBondContact OG1-CB 3.38Å; T66-S76 PolarHBondContact OG1-OG 3.35Å; T66-Y82 HydrophobicContact CG2-CD1 3.98Å; T66-Y82 HydrophobicContact CG2-CE1 3.76Å; T66-Q83 PolarHBondContact O-NE2 3.46Å; T66-Q83 PolarHBondContact OG1-OE1 2.94Å; T66-M311 WeakPolarHBondContact O-CE 3.14Å; T66-L335 HydrophobicContact CG2-CD1 3.48Å; T66-L335 VanDerWaalsContact CG2-CD1 3.48Å; T66-L335 HydrophobicContact CG2-CD2 3.77Å; T66-L335 HydrophobicContact CG2-CG 3.37Å; T66-M374 HydrophobicContact CG2-CE 4.17Å |
| 67 | S | 98.3 | Very high | 98.7 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.014 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -150.3 | 141.8 | -178.2 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | C65 V69 P72 | C65-S67 PolarHBondContact SG-O 2.9Å; S67-V69 PolarHBondContact O-N 3.32Å; S67-P72 WeakPolarHBondContact OG-CB 3.42Å; S67-P72 WeakPolarHBondContact OG-CG 3.26Å |
| 68 | P | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -83.7 | 26 | -176.7 | 36.9 | -38.1 | 0 | 0 | 0 | 113.3 | K303 G304 T305 M311 I379 | P68-K303 WeakPolarHBondContact O-CG 3.36Å; P68-G304 PolarHBondContact O-N 3.02Å; P68-T305 WeakPolarHBondContact CB-O 3.33Å; P68-M311 HydrophobicContact CB-CG 3.8Å; P68-M311 HydrophobicContact CB-SD 4.25Å; P68-M311 HydrophobicContact CG-SD 4.36Å; P68-I379 HydrophobicContact CG-CG2 3.84Å |
| 69 | V | 98.6 | Very high | 98.7 | Very high | 5 Ų | 5 | 4.9 Ų | 4.9 | 3% | 0.03 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -150.1 | 158.9 | 177.1 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | S67 P72 S73 V92 N283 K303 I379 | S67-V69 PolarHBondContact O-N 3.32Å; V69-P72 HydrophobicContact CG2-CG 3.52Å; V69-P72 WeakPolarHBondContact O-CG 3.27Å; V69-S73 WeakPolarHBondContact O-CB 3.45Å; V69-S73 PolarHBondContact O-N 2.88Å; V69-V92 HydrophobicContact CB-CG1 3.97Å; V69-V92 HydrophobicContact CG2-CG1 4.11Å; V69-N283 VanDerWaalsContact CA-OD1 3.24Å; V69-N283 WeakPolarHBondContact CA-OD1 3.19Å; V69-K303 HydrophobicContact CG1-CG 4.38Å; V69-I379 HydrophobicContact CG1-CG2 3.71Å; V69-I379 HydrophobicContact CG2-CG2 4.22Å |
| 70 | C | 98.4 | Very high | 98.7 | Very high | 2 Ų | 2 | 2.2 Ų | 2.2 | 1% | 0.014 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -57.4 | -67.6 | -163.7 | -50.3 | 0 | 0 | 0 | 0 | 116 | D30 S73 R74 V92 K124 H126 D282 N283 | D30-C70 PolarHBondContact OD1-SG 3.17Å; C70-S73 PolarHBondContact O-N 2.89Å; C70-S73 VanDerWaalsContact O-N 3.15Å; C70-R74 WeakPolarHBondContact O-CB 3.49Å; C70-R74 WeakPolarHBondContact O-CG 3.45Å; C70-R74 PolarHBondContact O-N 2.87Å; C70-V92 HydrophobicContact CB-CG1 4.43Å; C70-K124 PolarHBondContact SG-NZ 2.87Å; C70-K124 VanDerWaalsContact SG-NZ 3.4Å; C70-H126 VanDerWaalsContact CB-ND1 3.31Å; C70-H126 WeakPolarHBondContact CB-ND1 3.35Å; C70-D282 WeakPolarHBondContact CA-OD2 3.41Å; C70-D282 WeakPolarHBondContact CB-OD2 3.46Å; C70-N283 PolarHBondContact N-OD1 2.81Å; C70-N283 VanDerWaalsContact N-OD1 3.12Å |
| 71 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -52.4 | -52.8 | -172.3 | -61.3 | 0 | 0 | 0 | 0 | 114 | S73 R74 A75 F93 H126 L127 | S71-S73 VanDerWaalsContact C-N 3.35Å; S71-S73 PolarHBondContact O-N 3.28Å; S71-R74 PolarHBondContact O-N 3.47Å; S71-A75 WeakPolarHBondContact O-CB 3.4Å; S71-A75 PolarHBondContact O-N 3.15Å; S71-F93 PolarHBondContact OG-N 3.06Å; S71-H126 VanDerWaalsContact CB-O 3.3Å; S71-H126 WeakPolarHBondContact CB-O 3.49Å; S71-H126 PolarHBondContact OG-CD2 3.21Å; S71-H126 PolarHBondContact OG-NE2 2.88Å; S71-H126 PolarHBondContact OG-O 2.89Å; S71-L127 VanDerWaalsContact O-CD2 3.26Å; S71-L127 WeakPolarHBondContact O-CD2 3.41Å |
| 72 | P | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 2.6 Ų | 2.6 | 1% | 0.013 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63 | -36.7 | 178 | 20.1 | -32.4 | 0 | 0 | 0 | 114 | S67 V69 A75 S76 Q83 I88 G91 | S67-P72 WeakPolarHBondContact OG-CB 3.42Å; S67-P72 WeakPolarHBondContact OG-CG 3.26Å; V69-P72 HydrophobicContact CG2-CG 3.52Å; V69-P72 WeakPolarHBondContact O-CG 3.27Å; P72-A75 PolarHBondContact O-N 3.04Å; P72-S76 PolarHBondContact O-N 2.64Å; P72-S76 PolarHBondContact O-OG 2.91Å; P72-Q83 HydrophobicContact CB-CB 3.39Å; P72-Q83 HydrophobicContact CB-CG 3.46Å; P72-Q83 VanDerWaalsContact CB-CG 3.46Å; P72-I88 HydrophobicContact CB-CG2 4.37Å; P72-I88 WeakPolarHBondContact CB-O 3.38Å; P72-G91 WeakPolarHBondContact CD-O 3.17Å |
| 73 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | C65 V69 C70 S71 A75 S76 L77 D282 | C65-S73 WeakPolarHBondContact CB-OG 3.34Å; V69-S73 WeakPolarHBondContact O-CB 3.45Å; V69-S73 PolarHBondContact O-N 2.88Å; C70-S73 PolarHBondContact O-N 2.89Å; C70-S73 VanDerWaalsContact O-N 3.15Å; S71-S73 VanDerWaalsContact C-N 3.35Å; S71-S73 PolarHBondContact O-N 3.28Å; S73-A75 VanDerWaalsContact C-N 3.32Å; S73-A75 PolarHBondContact O-N 3.41Å; S73-S76 PolarHBondContact O-N 3.49Å; S73-S76 VanDerWaalsContact O-N 3.16Å; S73-L77 PolarHBondContact O-N 2.89Å; S73-D282 WeakPolarHBondContact CB-O 3.3Å; S73-D282 PolarHBondContact OG-O 3.38Å |
| 74 | R | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 174.9 | -72.8 | 163.1 | -171.6 | -87.7 | -7.5 | 112.1 | F28 D30 C70 S71 S76 L78 K124 L127 P225 D282 | F28-R74 HydrophobicContact CD1-CG 4.36Å; F28-R74 HydrophobicContact CE1-CG 3.7Å; D30-R74 VanDerWaalsContact CG-NH2 3.34Å; D30-R74 IonicContact OD1-NH2 3.68Å; D30-R74 PolarHBondContact OD1-NH2 3.07Å; D30-R74 VanDerWaalsContact OD1-NH2 3.12Å; D30-R74 IonicContact OD2-NH2 3.3Å; C70-R74 WeakPolarHBondContact O-CB 3.49Å; C70-R74 WeakPolarHBondContact O-CG 3.45Å; C70-R74 PolarHBondContact O-N 2.87Å; S71-R74 PolarHBondContact O-N 3.47Å; R74-S76 VanDerWaalsContact C-N 3.34Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 2.92Å; R74-L78 VanDerWaalsContact O-N 3.16Å; R74-K124 PolarHBondContact NH1-O 3.29Å; R74-K124 VanDerWaalsContact NH1-O 3.09Å; R74-L127 HydrophobicContact CB-CD1 4.3Å; R74-L127 HydrophobicContact CB-CD2 4.16Å; R74-L127 HydrophobicContact CB-CG 4.24Å; R74-P225 VanDerWaalsContact NH1-CB 3.33Å; R74-D282 IonicContact CZ-OD2 2.87Å; R74-D282 IonicContact NE-OD2 3.53Å; R74-D282 PolarHBondContact NE-OD2 3.36Å; R74-D282 IonicContact NH2-OD2 3.62Å; R74-D282 PolarHBondContact NH2-OD2 2.97Å |
| 75 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S71 P72 S73 L77 L78 T79 I88 L101 L127 | S71-A75 WeakPolarHBondContact O-CB 3.4Å; S71-A75 PolarHBondContact O-N 3.15Å; P72-A75 PolarHBondContact O-N 3.04Å; S73-A75 VanDerWaalsContact C-N 3.32Å; S73-A75 PolarHBondContact O-N 3.41Å; A75-L77 VanDerWaalsContact C-N 3.35Å; A75-L77 PolarHBondContact O-N 3.31Å; A75-L78 PolarHBondContact O-N 3.33Å; A75-T79 WeakPolarHBondContact O-CG2 3.45Å; A75-T79 PolarHBondContact O-N 3.16Å; A75-T79 PolarHBondContact O-OG1 2.89Å; A75-I88 HydrophobicContact CB-CB 4.06Å; A75-I88 HydrophobicContact CB-CG1 3.67Å; A75-I88 HydrophobicContact CB-CG2 4.22Å; A75-L101 HydrophobicContact CB-CD1 4.34Å; A75-L127 HydrophobicContact CB-CD2 3.69Å |
| 76 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | -176.7 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | T66 P72 S73 R74 G80 R81 Q83 | T66-S76 WeakPolarHBondContact OG1-CB 3.38Å; T66-S76 PolarHBondContact OG1-OG 3.35Å; P72-S76 PolarHBondContact O-N 2.64Å; P72-S76 PolarHBondContact O-OG 2.91Å; S73-S76 PolarHBondContact O-N 3.49Å; S73-S76 VanDerWaalsContact O-N 3.16Å; R74-S76 VanDerWaalsContact C-N 3.34Å; S76-G80 WeakPolarHBondContact O-CA 3.3Å; S76-G80 PolarHBondContact O-N 2.83Å; S76-R81 WeakPolarHBondContact CA-O 3.26Å; S76-R81 VanDerWaalsContact CB-O 3.26Å; S76-R81 WeakPolarHBondContact CB-O 3.36Å; S76-R81 PolarHBondContact OG-O 2.99Å; S76-Q83 PolarHBondContact OG-N 2.86Å; S76-Q83 VanDerWaalsContact OG-N 3.17Å; S76-Q83 PolarHBondContact OG-OE1 3.14Å |
| 77 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -56.8 | -52.2 | 171.7 | 171.7 | 69.1 | 0 | 0 | 0 | 111.2 | L26 F28 S73 A75 Y223 T334 I337 | L26-L77 HydrophobicContact CD2-CD1 4.08Å; L26-L77 HydrophobicContact CD2-CD2 4.01Å; L26-L77 HydrophobicContact CD2-CG 4.32Å; F28-L77 HydrophobicContact CD1-CD2 3.74Å; F28-L77 HydrophobicContact CD2-CD2 3.92Å; F28-L77 HydrophobicContact CE1-CD2 3.59Å; F28-L77 HydrophobicContact CE2-CD2 3.81Å; F28-L77 HydrophobicContact CG-CD2 3.89Å; F28-L77 HydrophobicContact CZ-CB 4.39Å; F28-L77 HydrophobicContact CZ-CD2 3.64Å; S73-L77 PolarHBondContact O-N 2.89Å; A75-L77 VanDerWaalsContact C-N 3.35Å; A75-L77 PolarHBondContact O-N 3.31Å; L77-Y223 HydrophobicContact CD2-CE2 3.87Å; L77-T334 HydrophobicContact CD1-CG2 4.42Å; L77-I337 HydrophobicContact CD1-CB 4.06Å; L77-I337 HydrophobicContact CD1-CD1 3.34Å; L77-I337 HydrophobicContact CD1-CG1 4.21Å; L77-I337 HydrophobicContact CD1-CG2 4.25Å |
| 78 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -76.3 | -27.7 | -171.8 | -68.1 | -179.6 | 0 | 0 | 0 | 113.1 | R74 A75 T107 I108 W125 L127 F142 Y223 L338 | R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 2.92Å; R74-L78 VanDerWaalsContact O-N 3.16Å; A75-L78 PolarHBondContact O-N 3.33Å; L78-T107 HydrophobicContact CB-CG2 4.43Å; L78-T107 CarbonylContact O-C 3.57Å; L78-T107 WeakPolarHBondContact O-CA 3.43Å; L78-I108 HydrophobicContact CD2-CD1 4.34Å; L78-I108 PolarHBondContact O-N 3.37Å; L78-W125 HydrophobicContact CD1-CE3 4.38Å; L78-W125 HydrophobicContact CD1-CH2 3.65Å; L78-W125 HydrophobicContact CD1-CZ3 3.36Å; L78-L127 HydrophobicContact CD1-CD1 3.61Å; L78-F142 HydrophobicContact CD2-CZ 4.41Å; L78-Y223 HydrophobicContact CD1-CE1 4.19Å; L78-Y223 HydrophobicContact CD2-CD1 4.25Å; L78-Y223 HydrophobicContact CD2-CE1 4.09Å; L78-L338 WeakPolarHBondContact O-CD1 3.38Å |
| 79 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -103.4 | -11.3 | -176.8 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | A75 R81 L101 E105 L354 | A75-T79 WeakPolarHBondContact O-CG2 3.45Å; A75-T79 PolarHBondContact O-N 3.16Å; A75-T79 PolarHBondContact O-OG1 2.89Å; T79-R81 PolarHBondContact O-N 2.88Å; T79-R81 PolarHBondContact OG1-N 2.98Å; T79-L101 HydrophobicContact CG2-CD1 4.08Å; T79-L101 HydrophobicContact CG2-CD2 4.33Å; T79-E105 HydrophobicContact CG2-CB 3.95Å; T79-E105 HydrophobicContact CG2-CG 4.5Å; T79-L354 WeakPolarHBondContact O-CD2 3.32Å |
| 80 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 62.6 | 21.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S76 D355 G356 | S76-G80 WeakPolarHBondContact O-CA 3.3Å; S76-G80 PolarHBondContact O-N 2.83Å; G80-D355 PolarHBondContact O-N 2.7Å; G80-G356 PolarHBondContact O-N 3.42Å |
| 81 | R | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 7.2 Ų | 7.2 | 11% | 0.109 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -128.5 | 145.5 | -175.7 | -73.7 | 159.8 | 54.5 | 80.2 | -7.5 | 110.2 | S76 T79 Q83 E105 L335 I353 L354 D355 | S76-R81 WeakPolarHBondContact CA-O 3.26Å; S76-R81 VanDerWaalsContact CB-O 3.26Å; S76-R81 WeakPolarHBondContact CB-O 3.36Å; S76-R81 PolarHBondContact OG-O 2.99Å; T79-R81 PolarHBondContact O-N 2.88Å; T79-R81 PolarHBondContact OG1-N 2.98Å; R81-Q83 PolarHBondContact O-N 3.34Å; R81-E105 WeakPolarHBondContact CD-OE2 3.44Å; R81-E105 IonicContact CZ-OE1 2.65Å; R81-E105 IonicContact CZ-OE2 3.12Å; R81-E105 IonicContact NE-OE1 3.46Å; R81-E105 PolarHBondContact NE-OE1 3.31Å; R81-E105 IonicContact NE-OE2 2.63Å; R81-E105 PolarHBondContact NE-OE2 3.21Å; R81-E105 IonicContact NH2-OE1 3.21Å; R81-E105 PolarHBondContact NH2-OE1 2.88Å; R81-E105 IonicContact NH2-OE2 3.21Å; R81-L335 VanDerWaalsContact C-CD2 3.41Å; R81-I353 VanDerWaalsContact CG-O 3.24Å; R81-I353 WeakPolarHBondContact CG-O 3.32Å; R81-I353 PolarHBondContact NH1-O 2.69Å; R81-L354 HydrophobicContact CG-CD2 4.02Å; R81-D355 WeakPolarHBondContact CA-OD2 3.35Å |
| 82 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | trans | -57.4 | 140.6 | 171.4 | -85.9 | -82.5 | 0 | 0 | 0 | 110.9 | T66 T84 R85 S86 L335 D355 M374 M375 Y377 F464 | T66-Y82 HydrophobicContact CG2-CD1 3.98Å; T66-Y82 HydrophobicContact CG2-CE1 3.76Å; Y82-T84 PolarHBondContact O-N 3.44Å; Y82-R85 WeakPolarHBondContact O-CB 3.02Å; Y82-R85 PolarHBondContact O-N 3.26Å; Y82-S86 PolarHBondContact O-N 2.83Å; Y82-L335 HydrophobicContact CD2-CD1 4Å; Y82-L335 HydrophobicContact CE1-CD1 4.32Å; Y82-L335 HydrophobicContact CE2-CD1 3.53Å; Y82-D355 HydrophobicContact CD2-CB 3.56Å; Y82-D355 HydrophobicContact CE2-CB 3.91Å; Y82-D355 PolarHBondContact N-OD2 3.24Å; Y82-M374 HydrophobicContact CE1-CE 4.5Å; Y82-M374 WeakPolarHBondContact OH-CE 3.25Å; Y82-M375 HydrophobicContact CE1-CB 4.32Å; Y82-M375 WeakPolarHBondContact CE1-O 3.39Å; Y82-M375 HydrophobicContact CE2-CB 4.37Å; Y82-M375 HydrophobicContact CE2-SD 4.18Å; Y82-M375 VanDerWaalsContact OH-CB 3.32Å; Y82-M375 WeakPolarHBondContact OH-CB 3.32Å; Y82-M375 PolarHBondContact OH-N 3.33Å; Y82-M375 PolarHBondContact OH-O 2.93Å; Y82-M375 PolarHBondContact OH-SD 2.77Å; Y82-Y377 HydrophobicContact CD1-CD2 4.04Å; Y82-Y377 HydrophobicContact CD1-CE2 4.35Å; Y82-Y377 HydrophobicContact CE1-CD2 4.44Å; Y82-F464 AromaticContact CD2-CE2 3.86Å; Y82-F464 HydrophobicContact CD2-CE2 3.86Å; Y82-F464 AromaticContact CD2-CZ 3.57Å; Y82-F464 HydrophobicContact CD2-CZ 3.57Å; Y82-F464 AromaticContact CE2-CE2 3.76Å; Y82-F464 HydrophobicContact CE2-CE2 3.76Å; Y82-F464 AromaticContact CE2-CZ 3.69Å; Y82-F464 HydrophobicContact CE2-CZ 3.69Å; Y82-F464 HydrophobicContact CG-CZ 4.17Å | ||
| 83 | Q | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31.7 | 178.1 | 67.7 | -83.1 | 19.3 | 0 | 0 | 113.4 | T66 P72 S76 R81 R85 S86 G87 I88 | T66-Q83 PolarHBondContact O-NE2 3.46Å; T66-Q83 PolarHBondContact OG1-OE1 2.94Å; P72-Q83 HydrophobicContact CB-CB 3.39Å; P72-Q83 HydrophobicContact CB-CG 3.46Å; P72-Q83 VanDerWaalsContact CB-CG 3.46Å; S76-Q83 PolarHBondContact OG-N 2.86Å; S76-Q83 VanDerWaalsContact OG-N 3.17Å; S76-Q83 PolarHBondContact OG-OE1 3.14Å; R81-Q83 PolarHBondContact O-N 3.34Å; Q83-R85 VanDerWaalsContact C-N 3.31Å; Q83-R85 PolarHBondContact O-N 2.98Å; Q83-S86 CarbonylContact O-C 3.57Å; Q83-S86 PolarHBondContact O-N 2.97Å; Q83-G87 PolarHBondContact O-N 3.23Å; Q83-I88 HydrophobicContact CB-CB 4.32Å; Q83-I88 WeakPolarHBondContact CB-O 3.42Å; Q83-I88 PolarHBondContact O-N 3.31Å |
| 84 | T | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.7 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | Y82 F89 Y377 P381 M468 F470 G471 | Y82-T84 PolarHBondContact O-N 3.44Å; T84-F89 HydrophobicContact CG2-CD1 4.49Å; T84-F89 WeakPolarHBondContact O-CE1 3.48Å; T84-Y377 HydrophobicContact CG2-CD1 4.18Å; T84-Y377 HydrophobicContact CG2-CD2 3.99Å; T84-Y377 HydrophobicContact CG2-CE1 4.15Å; T84-Y377 HydrophobicContact CG2-CE2 3.95Å; T84-Y377 HydrophobicContact CG2-CG 4.11Å; T84-P381 HydrophobicContact CG2-CB 3.85Å; T84-P381 HydrophobicContact CG2-CG 3.73Å; T84-M468 PolarHBondContact OG1-SD 2.89Å; T84-M468 VanDerWaalsContact OG1-SD 3.33Å; T84-F470 HydrophobicContact CG2-CD2 4.22Å; T84-F470 HydrophobicContact CG2-CE2 3.69Å; T84-F470 HydrophobicContact CG2-CZ 3.89Å; T84-F470 CarbonylContact O-C 3.53Å; T84-F470 WeakPolarHBondContact O-CA 3.36Å; T84-G471 PolarHBondContact O-N 3.46Å |
| 85 | R | 98.4 | Very high | 98.5 | Very high | 20 Ų | 20 | 13.2 Ų | 13.2 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -38.3 | 174 | -57.7 | -172.4 | -173.5 | -78.1 | 4.7 | 111.9 | Y82 Q83 G87 D355 T467 M468 | Y82-R85 WeakPolarHBondContact O-CB 3.02Å; Y82-R85 PolarHBondContact O-N 3.26Å; Q83-R85 VanDerWaalsContact C-N 3.31Å; Q83-R85 PolarHBondContact O-N 2.98Å; R85-G87 PolarHBondContact O-N 3.1Å; R85-D355 VanDerWaalsContact CD-OD2 3.26Å; R85-D355 WeakPolarHBondContact CD-OD2 3.08Å; R85-D355 IonicContact CZ-OD1 2.93Å; R85-D355 IonicContact CZ-OD2 3.79Å; R85-D355 VanDerWaalsContact NE-CG 3.32Å; R85-D355 IonicContact NE-OD1 3.6Å; R85-D355 PolarHBondContact NE-OD1 3.03Å; R85-D355 IonicContact NE-OD2 3.81Å; R85-D355 PolarHBondContact NE-OD2 3.14Å; R85-D355 IonicContact NH2-OD1 3.1Å; R85-D355 PolarHBondContact NH2-OD1 3.25Å; R85-T467 PolarHBondContact NH1-O 3.38Å; R85-M468 HydrophobicContact CG-CE 3.97Å; R85-M468 HydrophobicContact CG-SD 3.57Å; R85-M468 VanDerWaalsContact CG-SD 3.57Å |
| 86 | S | 97.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | Y82 Q83 I88 P102 | Y82-S86 PolarHBondContact O-N 2.83Å; Q83-S86 CarbonylContact O-C 3.57Å; Q83-S86 PolarHBondContact O-N 2.97Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å; S86-P102 WeakPolarHBondContact O-CD 3.43Å |
| 87 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q83 R85 F89 E472 Q474 | Q83-G87 PolarHBondContact O-N 3.23Å; R85-G87 PolarHBondContact O-N 3.1Å; G87-F89 PolarHBondContact O-N 3.08Å; G87-E472 WeakPolarHBondContact CA-O 3.31Å; G87-Q474 WeakPolarHBondContact O-CB 3.41Å; G87-Q474 PolarHBondContact O-N 3.37Å |
| 88 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -93.8 | 76.7 | -175.6 | -46.4 | -53.4 | 0 | 0 | 0 | 109.4 | P72 A75 Q83 S86 F93 L101 Q474 | P72-I88 HydrophobicContact CB-CG2 4.37Å; P72-I88 WeakPolarHBondContact CB-O 3.38Å; A75-I88 HydrophobicContact CB-CB 4.06Å; A75-I88 HydrophobicContact CB-CG1 3.67Å; A75-I88 HydrophobicContact CB-CG2 4.22Å; Q83-I88 HydrophobicContact CB-CB 4.32Å; Q83-I88 WeakPolarHBondContact CB-O 3.42Å; Q83-I88 PolarHBondContact O-N 3.31Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å; I88-F93 HydrophobicContact CD1-CE2 4.04Å; I88-F93 HydrophobicContact CD1-CZ 3.86Å; I88-F93 HydrophobicContact CG2-CE2 3.84Å; I88-F93 HydrophobicContact CG2-CZ 4.31Å; I88-L101 HydrophobicContact CD1-CD1 4.32Å; I88-L101 HydrophobicContact CG1-CD1 4.32Å; I88-Q474 HydrophobicContact CD1-CB 4.25Å; I88-Q474 HydrophobicContact CD1-CG 4.07Å | ||
| 89 | F | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 10% | 0.101 | 9% | 0.089 | C | C | . | . | trans | -165.5 | 167.3 | 176.4 | 60.7 | -88.5 | 0 | 0 | 0 | 108.5 | T84 G87 P381 F470 G471 S473 | T84-F89 HydrophobicContact CG2-CD1 4.49Å; T84-F89 WeakPolarHBondContact O-CE1 3.48Å; G87-F89 PolarHBondContact O-N 3.08Å; F89-P381 HydrophobicContact CB-CG 3.62Å; F89-P381 HydrophobicContact CD2-CG 4.24Å; F89-P381 HydrophobicContact CG-CG 3.92Å; F89-F470 HydrophobicContact CE1-CD2 4.02Å; F89-F470 HydrophobicContact CE2-CD2 4Å; F89-F470 HydrophobicContact CZ-CB 4.16Å; F89-F470 AromaticContact CZ-CD2 3.6Å; F89-F470 HydrophobicContact CZ-CD2 3.6Å; F89-F470 HydrophobicContact CZ-CG 4.36Å; F89-G471 VanDerWaalsContact CZ-O 3.28Å; F89-G471 WeakPolarHBondContact CZ-O 3.38Å; F89-S473 PolarHBondContact O-OG 3.23Å | ||
| 90 | P | 98.1 | Very high | 98.3 | Very high | 46 Ų | 46 | 16.9 Ų | 16.9 | 30% | 0.299 | 9% | 0.089 | S | C | . | . | S | Bend | cis | -78.7 | 157.1 | -18.1 | 35.8 | -35.8 | 0 | 0 | 0 | 111.7 | I379 D380 I475 | P90-I379 WeakPolarHBondContact CA-O 3.32Å; P90-D380 HydrophobicContact CB-CB 3.88Å; P90-I475 WeakPolarHBondContact O-CD1 3.15Å; P90-I475 VanDerWaalsContact O-CG2 3.26Å; P90-I475 WeakPolarHBondContact O-CG2 3.43Å |
| 91 | G | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 16.9 Ų | 16.9 | 27% | 0.268 | 9% | 0.089 | S | C | . | . | S | Bend | trans | 73.4 | -139.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | P72 I379 I475 | P72-G91 WeakPolarHBondContact CD-O 3.17Å; G91-I379 PolarHBondContact N-O 2.61Å; G91-I475 WeakPolarHBondContact O-CD1 3.37Å |
| 92 | V | 98.7 | Very high | 98.3 | Very high | 28 Ų | 28 | 16.5 Ų | 16.5 | 17% | 0.17 | 9% | 0.09 | C | C | . | . | trans | -131.8 | 165.2 | -175.8 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | V69 C70 Y94 | V69-V92 HydrophobicContact CB-CG1 3.97Å; V69-V92 HydrophobicContact CG2-CG1 4.11Å; C70-V92 HydrophobicContact CB-CG1 4.43Å; V92-Y94 HydrophobicContact CG2-CE2 4.29Å | ||
| 93 | F | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | trans | -80.6 | 149.8 | 176.3 | -69.3 | -65.7 | 0 | 0 | 0 | 112.3 | S71 I88 G100 H126 Q154 Q474 I475 | S71-F93 PolarHBondContact OG-N 3.06Å; I88-F93 HydrophobicContact CD1-CE2 4.04Å; I88-F93 HydrophobicContact CD1-CZ 3.86Å; I88-F93 HydrophobicContact CG2-CE2 3.84Å; I88-F93 HydrophobicContact CG2-CZ 4.31Å; F93-G100 VanDerWaalsContact CZ-CA 3.47Å; F93-H126 PolarHBondContact O-NE2 3.06Å; F93-Q154 PolarHBondContact O-NE2 3.45Å; F93-Q474 HydrophobicContact CE1-CB 4.01Å; F93-Q474 HydrophobicContact CZ-CB 3.85Å; F93-I475 HydrophobicContact CD1-CG1 3.75Å; F93-I475 HydrophobicContact CE1-CB 4.49Å; F93-I475 HydrophobicContact CE1-CG1 3.51Å; F93-I475 HydrophobicContact CG-CG1 4.38Å; F93-I475 HydrophobicContact CZ-CG1 3.97Å | ||
| 94 | Y | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 26.6 Ų | 26.6 | 37% | 0.373 | 14% | 0.144 | S | C | . | . | trans | -114.1 | 164.9 | 174.8 | -75.5 | -87.2 | 0 | 0 | 0 | 112 | V92 G96 S97 Q154 | V92-Y94 HydrophobicContact CG2-CE2 4.29Å; Y94-G96 PolarHBondContact O-N 2.89Å; Y94-G96 VanDerWaalsContact O-N 3.13Å; Y94-S97 PolarHBondContact N-OG 2.8Å; Y94-S97 WeakPolarHBondContact O-CB 3.27Å; Y94-S97 PolarHBondContact O-N 2.74Å; Y94-S97 PolarHBondContact O-OG 3.45Å; Y94-Q154 HydrophobicContact CD1-CG 4.5Å; Y94-Q154 VanDerWaalsContact CD1-NE2 3.28Å | ||
| 95 | P | 96.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.3 | -177.8 | -28.2 | 36.1 | 0 | 0 | 0 | 114 | Y150 Q154 V178 E484 | P95-Y150 HydrophobicContact CB-CD1 4.3Å; P95-Y150 HydrophobicContact CB-CE1 3.69Å; P95-Y150 HydrophobicContact CB-CE2 4.27Å; P95-Y150 HydrophobicContact CG-CD1 4.25Å; P95-Y150 HydrophobicContact CG-CD2 4.06Å; P95-Y150 HydrophobicContact CG-CE1 3.92Å; P95-Y150 HydrophobicContact CG-CE2 3.68Å; P95-Y150 HydrophobicContact CG-CG 4.31Å; P95-Q154 HydrophobicContact CG-CB 4.13Å; P95-Q154 WeakPolarHBondContact CG-O 3.19Å; P95-V178 HydrophobicContact CB-CG2 4.47Å; P95-E484 HydrophobicContact CB-CG 4.16Å |
| 96 | G | 96.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y94 I98 E479 N480 | Y94-G96 PolarHBondContact O-N 2.89Å; Y94-G96 VanDerWaalsContact O-N 3.13Å; G96-I98 PolarHBondContact O-N 2.88Å; G96-E479 CarbonylContact O-C 3.59Å; G96-E479 VanDerWaalsContact O-CA 3.29Å; G96-E479 WeakPolarHBondContact O-CA 3.41Å; G96-N480 PolarHBondContact O-N 2.93Å |
| 97 | S | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 133.2 | -178.1 | -70.9 | 0 | 0 | 0 | 0 | 112.2 | Y94 | Y94-S97 PolarHBondContact N-OG 2.8Å; Y94-S97 WeakPolarHBondContact O-CB 3.27Å; Y94-S97 PolarHBondContact O-N 2.74Å; Y94-S97 PolarHBondContact O-OG 3.45Å |
| 98 | I | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -72.8 | -37.3 | 178.7 | -66.9 | 165.9 | 0 | 0 | 0 | 110.8 | G96 F135 K477 G478 N480 L483 | G96-I98 PolarHBondContact O-N 2.88Å; I98-F135 WeakPolarHBondContact O-CE2 3.29Å; I98-K477 HydrophobicContact CB-CB 4.14Å; I98-K477 VanDerWaalsContact CD1-O 3.32Å; I98-K477 WeakPolarHBondContact CD1-O 2.95Å; I98-K477 HydrophobicContact CG2-CB 4.12Å; I98-G478 WeakPolarHBondContact CB-O 2.96Å; I98-G478 WeakPolarHBondContact CG1-O 3.28Å; I98-G478 PolarHBondContact N-O 2.81Å; I98-N480 HydrophobicContact CD1-CB 4.26Å; I98-N480 HydrophobicContact CG1-CB 4.1Å; I98-L483 HydrophobicContact CB-CD1 4.29Å; I98-L483 HydrophobicContact CG1-CD1 3.75Å |
| 99 | G | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | trans | -84.5 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q474 | G99-Q474 WeakPolarHBondContact CA-O 3.49Š| ||
| 100 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -168 | -172.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F93 P102 L127 Q474 | F93-G100 VanDerWaalsContact CZ-CA 3.47Å; G100-P102 VanDerWaalsContact O-CD 3.23Å; G100-P102 WeakPolarHBondContact O-CD 3.31Å; G100-P102 VanDerWaalsContact O-N 3.17Å; G100-L127 CarbonylContact C-O 3.59Å; G100-L127 VanDerWaalsContact CA-O 3.28Å; G100-L127 WeakPolarHBondContact CA-O 3.39Å; G100-Q474 WeakPolarHBondContact O-CG 3.26Å | ||
| 101 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -60.1 | 118.3 | 171.4 | -178.3 | 68.7 | 0 | 0 | 0 | 109.1 | A75 T79 I88 L103 E105 T107 L127 F135 Q140 | A75-L101 HydrophobicContact CB-CD1 4.34Å; T79-L101 HydrophobicContact CG2-CD1 4.08Å; T79-L101 HydrophobicContact CG2-CD2 4.33Å; I88-L101 HydrophobicContact CD1-CD1 4.32Å; I88-L101 HydrophobicContact CG1-CD1 4.32Å; L101-L103 PolarHBondContact O-N 3.37Å; L101-E105 HydrophobicContact CD1-CB 4.12Å; L101-E105 HydrophobicContact CD1-CG 4.22Å; L101-E105 HydrophobicContact CG-CB 4.39Å; L101-T107 HydrophobicContact CD2-CG2 4Å; L101-L127 HydrophobicContact CB-CB 4.03Å; L101-L127 HydrophobicContact CD2-CD1 4.26Å; L101-L127 PolarHBondContact N-O 2.99Å; L101-F135 VanDerWaalsContact O-CD1 3.31Å; L101-F135 WeakPolarHBondContact O-CD1 3.43Å; L101-Q140 HydrophobicContact CD2-CG 4.45Å; L101-Q140 PolarHBondContact O-NE2 3.23Å; L101-Q140 VanDerWaalsContact O-NE2 3.08Å |
| 102 | P | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | trans | -55.1 | 136.3 | 179.5 | -28.9 | 38.3 | 0 | 0 | 0 | 111.5 | S86 G100 N104 E105 Q140 Q474 | S86-P102 WeakPolarHBondContact O-CD 3.43Å; G100-P102 VanDerWaalsContact O-CD 3.23Å; G100-P102 WeakPolarHBondContact O-CD 3.31Å; G100-P102 VanDerWaalsContact O-N 3.17Å; P102-N104 WeakPolarHBondContact CB-OD1 3.27Å; P102-N104 PolarHBondContact O-N 2.65Å; P102-N104 VanDerWaalsContact O-N 3.08Å; P102-E105 HydrophobicContact CB-CG 4.47Å; P102-E105 WeakPolarHBondContact O-CB 3.45Å; P102-E105 PolarHBondContact O-N 2.79Å; P102-Q140 PolarHBondContact O-NE2 3.01Å; P102-Q140 VanDerWaalsContact O-NE2 3.17Å; P102-Q474 HydrophobicContact CG-CG 3.95Å | ||
| 103 | L | 98.1 | Very high | 98.3 | Very high | 83 Ų | 83 | 30.4 Ų | 30.4 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3.6 | -178.4 | -57.8 | -176.9 | 0 | 0 | 0 | 113.7 | L101 T134 F135 Q139 Q140 | L101-L103 PolarHBondContact O-N 3.37Å; L103-T134 HydrophobicContact CD1-CG2 4.24Å; L103-F135 HydrophobicContact CD2-CD1 4.19Å; L103-F135 HydrophobicContact CG-CE1 4.46Å; L103-Q139 HydrophobicContact CD2-CB 4.1Å; L103-Q140 HydrophobicContact CD2-CG 4.26Å |
| 104 | N | 96.9 | Very high | 98.2 | Very high | 132 Ų | 132 | 35.7 Ų | 35.7 | 71% | 0.706 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.6 | 173.1 | 69 | -28 | 0 | 0 | 0 | 113.1 | P102 | P102-N104 WeakPolarHBondContact CB-OD1 3.27Å; P102-N104 PolarHBondContact O-N 2.65Å; P102-N104 VanDerWaalsContact O-N 3.08Å |
| 105 | E | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -73.7 | 143.5 | 164.5 | -72.9 | -67.2 | 159.3 | 0 | 0 | 108.7 | T79 R81 L101 P102 | T79-E105 HydrophobicContact CG2-CB 3.95Å; T79-E105 HydrophobicContact CG2-CG 4.5Å; R81-E105 WeakPolarHBondContact CD-OE2 3.44Å; R81-E105 IonicContact CZ-OE1 2.65Å; R81-E105 IonicContact CZ-OE2 3.12Å; R81-E105 IonicContact NE-OE1 3.46Å; R81-E105 PolarHBondContact NE-OE1 3.31Å; R81-E105 IonicContact NE-OE2 2.63Å; R81-E105 PolarHBondContact NE-OE2 3.21Å; R81-E105 IonicContact NH2-OE1 3.21Å; R81-E105 PolarHBondContact NH2-OE1 2.88Å; R81-E105 IonicContact NH2-OE2 3.21Å; L101-E105 HydrophobicContact CD1-CB 4.12Å; L101-E105 HydrophobicContact CD1-CG 4.22Å; L101-E105 HydrophobicContact CG-CB 4.39Å; P102-E105 HydrophobicContact CB-CG 4.47Å; P102-E105 WeakPolarHBondContact O-CB 3.45Å; P102-E105 PolarHBondContact O-N 2.79Å |
| 106 | T | 98.8 | Very high | 98.3 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -103.8 | 121.6 | -178.4 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | E110 V111 P350 | T106-E110 VanDerWaalsContact CA-OE2 3.3Å; T106-E110 WeakPolarHBondContact CA-OE2 3.47Å; T106-E110 HydrophobicContact CG2-CB 3.98Å; T106-V111 HydrophobicContact CG2-CG2 3.92Å; T106-P350 HydrophobicContact CG2-CB 4.13Å |
| 107 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 165.6 | 179.7 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | L78 L101 A109 E110 V111 Q140 | L78-T107 HydrophobicContact CB-CG2 4.43Å; L78-T107 CarbonylContact O-C 3.57Å; L78-T107 WeakPolarHBondContact O-CA 3.43Å; L101-T107 HydrophobicContact CD2-CG2 4Å; T107-A109 PolarHBondContact O-N 3.47Å; T107-A109 PolarHBondContact OG1-N 2.81Å; T107-E110 PolarHBondContact N-OE2 2.92Å; T107-E110 PolarHBondContact O-N 3.39Å; T107-E110 VanDerWaalsContact O-N 3.08Å; T107-E110 PolarHBondContact OG1-N 3.33Å; T107-V111 WeakPolarHBondContact O-CG2 3.25Å; T107-V111 PolarHBondContact O-N 3.33Å; T107-Q140 HydrophobicContact CG2-CB 4.08Å; T107-Q140 PolarHBondContact OG1-O 2.93Å |
| 108 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -49.7 | -43 | 169.4 | -61 | 169.6 | 0 | 0 | 0 | 111.3 | L78 E110 V111 L112 F221 I337 L338 I341 | L78-I108 HydrophobicContact CD2-CD1 4.34Å; L78-I108 PolarHBondContact O-N 3.37Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 3.03Å; I108-V111 PolarHBondContact O-N 2.64Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 2.96Å; I108-L112 VanDerWaalsContact O-N 3.14Å; I108-F221 HydrophobicContact CB-CE1 4.01Å; I108-F221 HydrophobicContact CB-CZ 4.17Å; I108-F221 HydrophobicContact CD1-CZ 4.46Å; I108-F221 HydrophobicContact CG2-CD1 4.15Å; I108-F221 HydrophobicContact CG2-CE1 3.65Å; I108-F221 HydrophobicContact CG2-CE2 4.26Å; I108-F221 HydrophobicContact CG2-CZ 3.71Å; I108-I337 HydrophobicContact CD1-CG2 3.85Å; I108-L338 HydrophobicContact CD1-CB 4.37Å; I108-L338 HydrophobicContact CG1-CB 3.74Å; I108-L338 HydrophobicContact CG1-CD1 4.04Å; I108-L338 HydrophobicContact CG1-CG 3.99Å; I108-I341 HydrophobicContact CD1-CD1 4.42Å; I108-I341 HydrophobicContact CG2-CB 4.44Å; I108-I341 HydrophobicContact CG2-CD1 3.95Å; I108-I341 HydrophobicContact CG2-CG2 3.89Å |
| 109 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T107 L112 K113 T119 F142 F221 | T107-A109 PolarHBondContact O-N 3.47Å; T107-A109 PolarHBondContact OG1-N 2.81Å; A109-L112 PolarHBondContact O-N 3.48Å; A109-K113 WeakPolarHBondContact O-CB 3.28Å; A109-K113 PolarHBondContact O-N 2.9Å; A109-T119 HydrophobicContact CB-CG2 4.12Å; A109-F142 HydrophobicContact CB-CD1 4Å; A109-F142 HydrophobicContact CB-CD2 4.06Å; A109-F142 HydrophobicContact CB-CE1 3.92Å; A109-F142 HydrophobicContact CB-CE2 3.98Å; A109-F142 HydrophobicContact CB-CG 4.09Å; A109-F142 HydrophobicContact CB-CZ 3.92Å; A109-F221 HydrophobicContact CB-CD1 4.33Å; A109-F221 HydrophobicContact CB-CE1 4.35Å |
| 110 | E | 98.8 | Very high | 98.4 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.7 | -31 | 177.5 | -63.1 | 176.9 | 122.1 | 0 | 0 | 113.1 | T106 T107 I108 L112 P114 G141 | T106-E110 VanDerWaalsContact CA-OE2 3.3Å; T106-E110 WeakPolarHBondContact CA-OE2 3.47Å; T106-E110 HydrophobicContact CG2-CB 3.98Å; T107-E110 PolarHBondContact N-OE2 2.92Å; T107-E110 PolarHBondContact O-N 3.39Å; T107-E110 VanDerWaalsContact O-N 3.08Å; T107-E110 PolarHBondContact OG1-N 3.33Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 3.03Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-P114 WeakPolarHBondContact O-CD 3.45Å; E110-G141 VanDerWaalsContact CG-CA 3.46Å |
| 111 | V | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 171.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | T106 T107 I108 L338 A342 A347 | T106-V111 HydrophobicContact CG2-CG2 3.92Å; T107-V111 WeakPolarHBondContact O-CG2 3.25Å; T107-V111 PolarHBondContact O-N 3.33Å; I108-V111 PolarHBondContact O-N 2.64Å; V111-L338 HydrophobicContact CG2-CD1 4.3Å; V111-L338 HydrophobicContact CG2-CD2 4.47Å; V111-L338 HydrophobicContact CG2-CG 4.5Å; V111-A342 HydrophobicContact CG1-CB 3.86Å; V111-A347 HydrophobicContact CG1-CB 3.44Å; V111-A347 VanDerWaalsContact CG1-CB 3.44Å |
| 112 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -84.1 | -29.3 | -176.9 | -68.1 | 177.1 | 0 | 0 | 0 | 113.8 | F24 I108 A109 E110 L115 Y117 F221 I341 A345 | F24-L112 HydrophobicContact CD2-CD1 3.99Å; F24-L112 HydrophobicContact CD2-CD2 4.44Å; F24-L112 HydrophobicContact CE2-CD1 4.37Å; F24-L112 HydrophobicContact CE2-CD2 4Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 2.96Å; I108-L112 VanDerWaalsContact O-N 3.14Å; A109-L112 PolarHBondContact O-N 3.48Å; E110-L112 VanDerWaalsContact C-N 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-Y117 HydrophobicContact CB-CD1 4.45Å; L112-Y117 HydrophobicContact CB-CD2 4.06Å; L112-Y117 HydrophobicContact CB-CG 3.87Å; L112-Y117 HydrophobicContact CD1-CD1 4.15Å; L112-Y117 HydrophobicContact CD1-CG 4.38Å; L112-Y117 HydrophobicContact CD2-CD1 4.41Å; L112-Y117 HydrophobicContact CD2-CD2 4.06Å; L112-Y117 HydrophobicContact CD2-CE1 4.32Å; L112-Y117 HydrophobicContact CD2-CE2 3.97Å; L112-Y117 HydrophobicContact CD2-CG 4.28Å; L112-Y117 HydrophobicContact CG-CG 4.43Å; L112-F221 HydrophobicContact CD1-CB 3.56Å; L112-F221 HydrophobicContact CD1-CD1 4.05Å; L112-F221 HydrophobicContact CD1-CG 3.81Å; L112-I341 HydrophobicContact CD1-CG2 3.83Å; L112-I341 HydrophobicContact CD2-CG2 3.85Å; L112-I341 HydrophobicContact CG-CG2 4.09Å; L112-A345 HydrophobicContact CD2-CB 3.44Å; L112-A345 VanDerWaalsContact CD2-CB 3.44Å |
| 113 | K | 97.1 | Very high | 98.5 | Very high | 97 Ų | 97 | 32.2 Ų | 32.2 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -56.3 | -43.3 | -173.6 | -171.7 | 167.4 | -171.4 | 138.8 | 0 | 114.3 | A109 L115 G116 D143 | A109-K113 WeakPolarHBondContact O-CB 3.28Å; A109-K113 PolarHBondContact O-N 2.9Å; K113-L115 PolarHBondContact O-N 3.11Å; K113-L115 VanDerWaalsContact O-N 3.14Å; K113-G116 PolarHBondContact O-N 3.31Å; K113-D143 IonicContact NZ-OD1 3.39Å; K113-D143 PolarHBondContact NZ-OD1 3.18Å |
| 114 | P | 97.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 28.3 Ų | 28.3 | 73% | 0.734 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -62.3 | -18.8 | 175.7 | -24.6 | 35 | 0 | 0 | 0 | 114.7 | E110 G116 | E110-P114 WeakPolarHBondContact O-CD 3.45Å; P114-G116 VanDerWaalsContact C-N 3.32Å |
| 115 | L | 98.1 | Very high | 98.6 | Very high | 77 Ų | 77 | 22.1 Ų | 22.1 | 40% | 0.403 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -90.4 | 4.3 | 176.8 | -57.9 | -179.7 | 0 | 0 | 0 | 113 | L112 K113 Y117 A345 A347 | L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 2.95Å; K113-L115 PolarHBondContact O-N 3.11Å; K113-L115 VanDerWaalsContact O-N 3.14Å; L115-Y117 HydrophobicContact CB-CD2 3.97Å; L115-Y117 HydrophobicContact CB-CE2 4.19Å; L115-Y117 HydrophobicContact CD1-CE2 4.48Å; L115-A345 HydrophobicContact CD1-CB 3.91Å; L115-A345 VanDerWaalsContact CD1-O 3.32Å; L115-A345 WeakPolarHBondContact CD1-O 3.04Å; L115-A347 HydrophobicContact CD1-CB 3.58Å; L115-A347 HydrophobicContact CG-CB 4.48Å |
| 116 | G | 97.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 39% | 0.392 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 17 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K113 P114 Q218 | K113-G116 PolarHBondContact O-N 3.31Å; P114-G116 VanDerWaalsContact C-N 3.32Å; G116-Q218 VanDerWaalsContact O-CG 3.22Å; G116-Q218 WeakPolarHBondContact O-CG 3.38Å; G116-Q218 PolarHBondContact O-NE2 2.75Å |
| 117 | Y | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | trans | -64.9 | 137.6 | 172 | -82.4 | -106.9 | 0 | 0 | 0 | 111.2 | P21 P22 F24 L112 L115 P219 A345 | P21-Y117 HydrophobicContact CB-CE2 4.35Å; P21-Y117 WeakPolarHBondContact CB-OH 3.32Å; P22-Y117 VanDerWaalsContact O-CE1 3.23Å; P22-Y117 WeakPolarHBondContact O-CE1 3.45Å; P22-Y117 PolarHBondContact O-OH 3.06Å; F24-Y117 HydrophobicContact CD2-CD1 4.33Å; F24-Y117 AromaticContact CD2-CE1 3.57Å; F24-Y117 HydrophobicContact CD2-CE1 3.57Å; F24-Y117 AromaticContact CE2-CE1 3.53Å; F24-Y117 HydrophobicContact CE2-CE1 3.53Å; F24-Y117 AromaticContact CE2-CZ 3.65Å; F24-Y117 WeakPolarHBondContact CE2-OH 3.42Å; L112-Y117 HydrophobicContact CB-CD1 4.45Å; L112-Y117 HydrophobicContact CB-CD2 4.06Å; L112-Y117 HydrophobicContact CB-CG 3.87Å; L112-Y117 HydrophobicContact CD1-CD1 4.15Å; L112-Y117 HydrophobicContact CD1-CG 4.38Å; L112-Y117 HydrophobicContact CD2-CD1 4.41Å; L112-Y117 HydrophobicContact CD2-CD2 4.06Å; L112-Y117 HydrophobicContact CD2-CE1 4.32Å; L112-Y117 HydrophobicContact CD2-CE2 3.97Å; L112-Y117 HydrophobicContact CD2-CG 4.28Å; L112-Y117 HydrophobicContact CG-CG 4.43Å; L115-Y117 HydrophobicContact CB-CD2 3.97Å; L115-Y117 HydrophobicContact CB-CE2 4.19Å; L115-Y117 HydrophobicContact CD1-CE2 4.48Å; Y117-P219 CarbonylContact C-O 3.55Å; Y117-P219 VanDerWaalsContact CA-O 3.3Å; Y117-P219 WeakPolarHBondContact CA-O 3.48Å; Y117-P219 HydrophobicContact CD1-CB 3.91Å; Y117-P219 HydrophobicContact CD1-CG 4.24Å; Y117-P219 HydrophobicContact CD2-CB 4.45Å; Y117-P219 HydrophobicContact CD2-CG 4.01Å; Y117-P219 HydrophobicContact CE1-CB 3.67Å; Y117-P219 HydrophobicContact CE1-CG 4.28Å; Y117-P219 HydrophobicContact CE2-CB 4.24Å; Y117-P219 HydrophobicContact CE2-CG 4.06Å; Y117-P219 HydrophobicContact CG-CB 4.29Å; Y117-P219 HydrophobicContact CG-CG 4.11Å; Y117-A345 HydrophobicContact CE2-CB 4.06Å | ||
| 118 | A | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | F209 Q218 P219 F220 F221 | A118-F209 HydrophobicContact CB-CE2 3.86Å; A118-F209 HydrophobicContact CB-CZ 3.98Å; A118-Q218 HydrophobicContact CB-CG 4.25Å; A118-P219 PolarHBondContact N-O 3.22Å; A118-F220 HydrophobicContact CB-CB 4.27Å; A118-F220 CarbonylContact O-C 3.54Å; A118-F220 VanDerWaalsContact O-CA 3.25Å; A118-F220 WeakPolarHBondContact O-CA 3.33Å; A118-F221 PolarHBondContact O-N 3.03Å |
| 119 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.5 | -177.9 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | A109 G141 F142 D143 Q144 F221 | A109-T119 HydrophobicContact CB-CG2 4.12Å; T119-G141 PolarHBondContact OG1-O 2.88Å; T119-F142 VanDerWaalsContact OG1-CA 3.26Å; T119-F142 WeakPolarHBondContact OG1-CA 3.45Å; T119-D143 PolarHBondContact N-OD2 3.41Å; T119-D143 VanDerWaalsContact N-OD2 3.1Å; T119-D143 WeakPolarHBondContact O-CB 3.38Å; T119-D143 PolarHBondContact O-N 2.69Å; T119-D143 PolarHBondContact OG1-N 2.84Å; T119-D143 PolarHBondContact OG1-OD2 3.38Å; T119-Q144 PolarHBondContact O-N 2.85Å; T119-Q144 VanDerWaalsContact O-N 3.14Å; T119-F221 WeakPolarHBondContact CA-O 3.41Å; T119-F221 HydrophobicContact CG2-CB 4.33Å; T119-F221 HydrophobicContact CG2-CD1 4.4Å |
| 120 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F142 Q144 F205 F209 F221 L222 Y223 | A120-F142 VanDerWaalsContact C-CD1 3.46Å; A120-Q144 VanDerWaalsContact CA-O 3.31Å; A120-Q144 WeakPolarHBondContact CA-O 3.36Å; A120-Q144 HydrophobicContact CB-CB 4.4Å; A120-F205 HydrophobicContact CB-CE1 4.42Å; A120-F209 HydrophobicContact CB-CD1 3.87Å; A120-F209 HydrophobicContact CB-CD2 3.64Å; A120-F209 HydrophobicContact CB-CE1 3.79Å; A120-F209 HydrophobicContact CB-CE2 3.55Å; A120-F209 HydrophobicContact CB-CG 3.79Å; A120-F209 HydrophobicContact CB-CZ 3.62Å; A120-F221 PolarHBondContact N-O 3.27Å; A120-L222 HydrophobicContact CB-CD1 4.23Å; A120-Y223 PolarHBondContact O-N 2.62Å |
| 121 | A | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P137 F142 Q144 Y145 L146 Y223 | A121-P137 HydrophobicContact CB-CB 4.08Å; A121-P137 HydrophobicContact CB-CG 4.38Å; A121-F142 HydrophobicContact CB-CB 4.49Å; A121-F142 HydrophobicContact CB-CD1 3.76Å; A121-F142 HydrophobicContact CB-CD2 4.24Å; A121-F142 HydrophobicContact CB-CE1 3.95Å; A121-F142 HydrophobicContact CB-CE2 4.41Å; A121-F142 HydrophobicContact CB-CG 3.9Å; A121-F142 HydrophobicContact CB-CZ 4.27Å; A121-Q144 PolarHBondContact N-O 2.75Å; A121-Y145 HydrophobicContact CB-CD2 3.95Å; A121-Y145 WeakPolarHBondContact O-CA 3.18Å; A121-Y145 WeakPolarHBondContact O-CD2 3.31Å; A121-L146 PolarHBondContact O-N 3.34Å; A121-L146 VanDerWaalsContact O-N 3.16Å; A121-Y223 CarbonylContact C-O 3.56Å; A121-Y223 WeakPolarHBondContact CA-O 3.4Å; A121-Y223 HydrophobicContact CB-CD1 4.19Å |
| 122 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 109.1 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | L146 Y202 F205 A206 L222 Y223 Y224 P225 | V122-L146 CarbonylContact C-O 3.57Å; V122-L146 WeakPolarHBondContact CA-O 3.24Å; V122-Y202 HydrophobicContact CG1-CD1 3.62Å; V122-Y202 HydrophobicContact CG1-CG 3.71Å; V122-F205 HydrophobicContact CG1-CD1 4.44Å; V122-F205 HydrophobicContact CG2-CD1 3.54Å; V122-F205 HydrophobicContact CG2-CE1 3.75Å; V122-A206 HydrophobicContact CG2-CB 4.38Å; V122-L222 HydrophobicContact CG2-CD1 3.71Å; V122-Y223 PolarHBondContact N-O 2.79Å; V122-Y224 HydrophobicContact CB-CD2 3.8Å; V122-Y224 HydrophobicContact CB-CE2 4.09Å; V122-Y224 HydrophobicContact CG1-CD2 3.99Å; V122-Y224 HydrophobicContact CG1-CE2 3.73Å; V122-Y224 WeakPolarHBondContact O-CA 3.08Å; V122-P225 WeakPolarHBondContact O-CD 3.29Å |
| 123 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 114.7 | -140.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L146 G147 I148 P225 | G123-L146 PolarHBondContact N-O 3.23Å; G123-G147 WeakPolarHBondContact O-CA 3.36Å; G123-I148 PolarHBondContact O-N 3.42Å; G123-P225 CarbonylContact C-O 3.54Å; G123-P225 VanDerWaalsContact CA-O 3.28Å; G123-P225 WeakPolarHBondContact CA-O 3.17Å |
| 124 | K | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -74 | 122.9 | -170.9 | 179.2 | 174.4 | 173.4 | -180 | 0 | 112.8 | D30 C70 R74 H126 I148 S151 P225 H227 | D30-K124 IonicContact OD1-NZ 3.21Å; D30-K124 PolarHBondContact OD1-NZ 3.36Å; D30-K124 WeakPolarHBondContact OD2-CD 3.47Å; D30-K124 WeakPolarHBondContact OD2-CE 3.41Å; D30-K124 IonicContact OD2-NZ 3.36Å; D30-K124 PolarHBondContact OD2-NZ 2.86Å; C70-K124 PolarHBondContact SG-NZ 2.87Å; C70-K124 VanDerWaalsContact SG-NZ 3.4Å; R74-K124 PolarHBondContact NH1-O 3.29Å; R74-K124 VanDerWaalsContact NH1-O 3.09Å; K124-H126 HydrophobicContact CD-CB 4.47Å; K124-H126 WeakPolarHBondContact CE-ND1 3.37Å; K124-H126 HydrophobicContact CG-CB 4.03Å; K124-I148 WeakPolarHBondContact CA-O 3.47Å; K124-S151 WeakPolarHBondContact CE-OG 3.49Å; K124-S151 PolarHBondContact NZ-OG 2.94Å; K124-P225 PolarHBondContact N-O 3.19Å; K124-P225 WeakPolarHBondContact O-CB 3.35Å; K124-P225 WeakPolarHBondContact O-CG 3.31Å; K124-H227 PolarHBondContact N-CE1 2.99Å | ||
| 125 | W | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | trans | -85.4 | -66.3 | 174.6 | 179.3 | -127.3 | 0 | 0 | 0 | 113.1 | L78 L127 G128 F135 P137 Q140 F142 I148 Y223 | L78-W125 HydrophobicContact CD1-CE3 4.38Å; L78-W125 HydrophobicContact CD1-CH2 3.65Å; L78-W125 HydrophobicContact CD1-CZ3 3.36Å; W125-L127 VanDerWaalsContact C-N 3.32Å; W125-L127 HydrophobicContact CD2-CB 4.09Å; W125-L127 HydrophobicContact CD2-CD1 4.37Å; W125-L127 HydrophobicContact CE3-CD1 4.23Å; W125-L127 HydrophobicContact CG-CB 4.49Å; W125-L127 HydrophobicContact CH2-CD1 3.76Å; W125-L127 HydrophobicContact CZ2-CB 3.79Å; W125-L127 HydrophobicContact CZ2-CD1 3.88Å; W125-L127 HydrophobicContact CZ2-CG 4.44Å; W125-L127 HydrophobicContact CZ3-CD1 3.95Å; W125-L127 PolarHBondContact O-N 3.05Å; W125-G128 PolarHBondContact NE1-O 3.49Å; W125-F135 PolarHBondContact NE1-O 2.96Å; W125-P137 HydrophobicContact CB-CG 4.15Å; W125-P137 HydrophobicContact CD2-CB 4.46Å; W125-P137 HydrophobicContact CD2-CG 3.56Å; W125-P137 HydrophobicContact CE3-CB 4.29Å; W125-P137 HydrophobicContact CE3-CG 3.66Å; W125-P137 HydrophobicContact CG-CG 3.79Å; W125-P137 HydrophobicContact CZ3-CB 4.35Å; W125-P137 HydrophobicContact CZ3-CG 4.21Å; W125-Q140 HydrophobicContact CH2-CB 4.05Å; W125-Q140 HydrophobicContact CH2-CG 4.43Å; W125-Q140 HydrophobicContact CZ2-CB 4.12Å; W125-Q140 HydrophobicContact CZ2-CG 4.07Å; W125-F142 HydrophobicContact CH2-CE2 4.33Å; W125-F142 AromaticContact CZ3-CE2 3.97Å; W125-F142 HydrophobicContact CZ3-CE2 3.97Å; W125-I148 PolarHBondContact N-O 3.46Å; W125-Y223 HydrophobicContact CZ3-CE1 4.49Å | ||
| 126 | H | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | trans | 59.8 | 30.3 | 176 | -150.6 | -178.2 | 0 | 0 | 0 | 116.2 | C70 S71 F93 K124 P149 S151 Q154 | C70-H126 VanDerWaalsContact CB-ND1 3.31Å; C70-H126 WeakPolarHBondContact CB-ND1 3.35Å; S71-H126 VanDerWaalsContact CB-O 3.3Å; S71-H126 WeakPolarHBondContact CB-O 3.49Å; S71-H126 PolarHBondContact OG-CD2 3.21Å; S71-H126 PolarHBondContact OG-NE2 2.88Å; S71-H126 PolarHBondContact OG-O 2.89Å; F93-H126 PolarHBondContact O-NE2 3.06Å; K124-H126 HydrophobicContact CD-CB 4.47Å; K124-H126 WeakPolarHBondContact CE-ND1 3.37Å; K124-H126 HydrophobicContact CG-CB 4.03Å; H126-P149 VanDerWaalsContact CA-O 3.27Å; H126-P149 WeakPolarHBondContact CA-O 3.4Å; H126-P149 PolarHBondContact N-O 3.04Å; H126-S151 PolarHBondContact CE1-OG 2.91Å; H126-S151 PolarHBondContact ND1-OG 3.36Å; H126-Q154 PolarHBondContact CE1-OE1 3.26Å; H126-Q154 PolarHBondContact NE2-OE1 2.96Å | ||
| 127 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -122.3 | 34.1 | 177.1 | -66.8 | 172.5 | 0 | 0 | 0 | 112.1 | S71 R74 A75 L78 G100 L101 W125 | S71-L127 VanDerWaalsContact O-CD2 3.26Å; S71-L127 WeakPolarHBondContact O-CD2 3.41Å; R74-L127 HydrophobicContact CB-CD1 4.3Å; R74-L127 HydrophobicContact CB-CD2 4.16Å; R74-L127 HydrophobicContact CB-CG 4.24Å; A75-L127 HydrophobicContact CB-CD2 3.69Å; L78-L127 HydrophobicContact CD1-CD1 3.61Å; G100-L127 CarbonylContact C-O 3.59Å; G100-L127 VanDerWaalsContact CA-O 3.28Å; G100-L127 WeakPolarHBondContact CA-O 3.39Å; L101-L127 HydrophobicContact CB-CB 4.03Å; L101-L127 HydrophobicContact CD2-CD1 4.26Å; L101-L127 PolarHBondContact N-O 2.99Å; W125-L127 VanDerWaalsContact C-N 3.32Å; W125-L127 HydrophobicContact CD2-CB 4.09Å; W125-L127 HydrophobicContact CD2-CD1 4.37Å; W125-L127 HydrophobicContact CE3-CD1 4.23Å; W125-L127 HydrophobicContact CG-CB 4.49Å; W125-L127 HydrophobicContact CH2-CD1 3.76Å; W125-L127 HydrophobicContact CZ2-CB 3.79Å; W125-L127 HydrophobicContact CZ2-CD1 3.88Å; W125-L127 HydrophobicContact CZ2-CG 4.44Å; W125-L127 HydrophobicContact CZ3-CD1 3.95Å; W125-L127 PolarHBondContact O-N 3.05Å |
| 128 | G | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | trans | 94 | 146.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W125 F135 | W125-G128 PolarHBondContact NE1-O 3.49Å; G128-F135 WeakPolarHBondContact O-CB 3.37Å | ||
| 129 | Y | 97.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 9% | 0.09 | 13% | 0.126 | C | C | . | . | trans | -98 | -54.1 | 166.5 | -172.8 | -97.7 | 0 | 0 | 0 | 109.4 | G133 T134 F135 L136 P149 P485 | Y129-G133 CarbonylContact O-C 3.58Å; Y129-G133 VanDerWaalsContact O-CA 3.24Å; Y129-G133 WeakPolarHBondContact O-CA 3.38Å; Y129-T134 PolarHBondContact O-N 3.24Å; Y129-F135 PolarHBondContact O-N 2.91Å; Y129-L136 HydrophobicContact CD2-CD2 3.8Å; Y129-L136 HydrophobicContact CD2-CG 4.31Å; Y129-L136 HydrophobicContact CE2-CD1 4.16Å; Y129-L136 HydrophobicContact CE2-CD2 3.97Å; Y129-L136 HydrophobicContact CE2-CG 4.31Å; Y129-P149 HydrophobicContact CD2-CB 3.68Å; Y129-P149 HydrophobicContact CD2-CG 3.6Å; Y129-P149 HydrophobicContact CE2-CB 4.49Å; Y129-P149 HydrophobicContact CE2-CG 3.95Å; Y129-P485 HydrophobicContact CD1-CB 4.36Å; Y129-P485 HydrophobicContact CD2-CB 4.45Å; Y129-P485 HydrophobicContact CE1-CB 3.82Å; Y129-P485 HydrophobicContact CE2-CB 3.9Å; Y129-P485 HydrophobicContact CE2-CG 4.45Å | ||
| 130 | G | 94.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | 71.3 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N132 G133 | G130-N132 PolarHBondContact O-N 3.26Å; G130-G133 PolarHBondContact O-N 2.91Å | ||
| 131 | A | 91.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 22.8 Ų | 22.8 | 38% | 0.38 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -57.2 | 126.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G133 T134 L483 | A131-G133 PolarHBondContact O-N 3.17Å; A131-T134 WeakPolarHBondContact O-CB 3.05Å; A131-T134 PolarHBondContact O-N 2.95Å; A131-T134 PolarHBondContact O-OG1 2.98Å; A131-L483 HydrophobicContact CB-CD2 3.8Å |
| 132 | N | 87.1 | Confident | 97.2 | Very high | 169 Ų | 169 | 22.9 Ų | 22.9 | 90% | 0.904 | 13% | 0.129 | S | C | * | . | G | 310 helix | trans | 50.2 | 32.5 | 179 | -56.8 | -33.8 | 0 | 0 | 0 | 114.5 | G130 | G130-N132 PolarHBondContact O-N 3.26Š|
| 133 | G | 94.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 74.6 | 24.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y129 G130 A131 F135 L136 | Y129-G133 CarbonylContact O-C 3.58Å; Y129-G133 VanDerWaalsContact O-CA 3.24Å; Y129-G133 WeakPolarHBondContact O-CA 3.38Å; G130-G133 PolarHBondContact O-N 2.91Å; A131-G133 PolarHBondContact O-N 3.17Å; G133-F135 PolarHBondContact O-N 3.01Å; G133-L136 WeakPolarHBondContact O-CB 3.47Å; G133-L136 WeakPolarHBondContact O-CG 3.34Å; G133-L136 PolarHBondContact O-N 2.78Å |
| 134 | T | 97.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -28.8 | 179.4 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | L103 Y129 A131 Q139 | L103-T134 HydrophobicContact CD1-CG2 4.24Å; Y129-T134 PolarHBondContact O-N 3.24Å; A131-T134 WeakPolarHBondContact O-CB 3.05Å; A131-T134 PolarHBondContact O-N 2.95Å; A131-T134 PolarHBondContact O-OG1 2.98Å; T134-Q139 WeakPolarHBondContact O-CB 3.44Å; T134-Q139 WeakPolarHBondContact O-CG 3.49Å |
| 135 | F | 98.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 12% | 0.118 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 11.4 | -177.9 | -58 | -60.6 | 0 | 0 | 0 | 113.7 | I98 L101 L103 W125 G128 Y129 G133 | I98-F135 WeakPolarHBondContact O-CE2 3.29Å; L101-F135 VanDerWaalsContact O-CD1 3.31Å; L101-F135 WeakPolarHBondContact O-CD1 3.43Å; L103-F135 HydrophobicContact CD2-CD1 4.19Å; L103-F135 HydrophobicContact CG-CE1 4.46Å; W125-F135 PolarHBondContact NE1-O 2.96Å; G128-F135 WeakPolarHBondContact O-CB 3.37Å; Y129-F135 PolarHBondContact O-N 2.91Å; G133-F135 PolarHBondContact O-N 3.01Å |
| 136 | L | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -63.8 | 158.9 | 176.9 | -73.9 | 175.8 | 0 | 0 | 0 | 112.2 | Y129 G133 T138 Q139 Y145 P149 V183 | Y129-L136 HydrophobicContact CD2-CD2 3.8Å; Y129-L136 HydrophobicContact CD2-CG 4.31Å; Y129-L136 HydrophobicContact CE2-CD1 4.16Å; Y129-L136 HydrophobicContact CE2-CD2 3.97Å; Y129-L136 HydrophobicContact CE2-CG 4.31Å; G133-L136 WeakPolarHBondContact O-CB 3.47Å; G133-L136 WeakPolarHBondContact O-CG 3.34Å; G133-L136 PolarHBondContact O-N 2.78Å; L136-T138 PolarHBondContact O-N 3.3Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 2.83Å; L136-Y145 HydrophobicContact CD2-CE1 4.16Å; L136-P149 HydrophobicContact CD2-CB 4.09Å; L136-P149 HydrophobicContact CD2-CG 4.22Å; L136-V183 HydrophobicContact CD1-CG1 4.24Å |
| 137 | P | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -52.8 | -32.8 | -178.5 | -28.3 | 34.7 | 0 | 0 | 0 | 114.8 | A121 W125 Q139 Q140 F142 Y145 | A121-P137 HydrophobicContact CB-CB 4.08Å; A121-P137 HydrophobicContact CB-CG 4.38Å; W125-P137 HydrophobicContact CB-CG 4.15Å; W125-P137 HydrophobicContact CD2-CB 4.46Å; W125-P137 HydrophobicContact CD2-CG 3.56Å; W125-P137 HydrophobicContact CE3-CB 4.29Å; W125-P137 HydrophobicContact CE3-CG 3.66Å; W125-P137 HydrophobicContact CG-CG 3.79Å; W125-P137 HydrophobicContact CZ3-CB 4.35Å; W125-P137 HydrophobicContact CZ3-CG 4.21Å; P137-Q139 PolarHBondContact O-N 2.82Å; P137-Q140 CarbonylContact O-C 3.49Å; P137-Q140 WeakPolarHBondContact O-CA 3.39Å; P137-Q140 PolarHBondContact O-N 2.87Å; P137-F142 HydrophobicContact CB-CB 4.04Å; P137-F142 HydrophobicContact CB-CD2 3.76Å; P137-F142 HydrophobicContact CB-CG 4.14Å; P137-F142 WeakPolarHBondContact O-CB 3.48Å; P137-F142 PolarHBondContact O-N 3.45Å; P137-Y145 HydrophobicContact CB-CD2 4.2Å; P137-Y145 HydrophobicContact CB-CG 4.1Å; P137-Y145 HydrophobicContact CG-CD1 3.97Å; P137-Y145 HydrophobicContact CG-CD2 3.61Å; P137-Y145 HydrophobicContact CG-CE1 4.1Å; P137-Y145 HydrophobicContact CG-CE2 3.75Å; P137-Y145 HydrophobicContact CG-CG 3.72Å |
| 138 | T | 98.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -67 | -16.6 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | L136 F142 N185 | L136-T138 PolarHBondContact O-N 3.3Å; T138-F142 WeakPolarHBondContact CA-O 3.42Å; T138-N185 HydrophobicContact CG2-CB 4.1Å |
| 139 | Q | 98.4 | Very high | 97.3 | Very high | 100 Ų | 100 | 29.4 Ų | 29.4 | 47% | 0.467 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -91 | -2.2 | 172.2 | -52.2 | -54.7 | -48.2 | 0 | 0 | 112.7 | L103 T134 L136 P137 | L103-Q139 HydrophobicContact CD2-CB 4.1Å; T134-Q139 WeakPolarHBondContact O-CB 3.44Å; T134-Q139 WeakPolarHBondContact O-CG 3.49Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 2.83Å; P137-Q139 PolarHBondContact O-N 2.82Å |
| 140 | Q | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 36.8 | -172.4 | -72.9 | -75.4 | 8.2 | 0 | 0 | 111.1 | L101 P102 L103 T107 W125 P137 | L101-Q140 HydrophobicContact CD2-CG 4.45Å; L101-Q140 PolarHBondContact O-NE2 3.23Å; L101-Q140 VanDerWaalsContact O-NE2 3.08Å; P102-Q140 PolarHBondContact O-NE2 3.01Å; P102-Q140 VanDerWaalsContact O-NE2 3.17Å; L103-Q140 HydrophobicContact CD2-CG 4.26Å; T107-Q140 HydrophobicContact CG2-CB 4.08Å; T107-Q140 PolarHBondContact OG1-O 2.93Å; W125-Q140 HydrophobicContact CH2-CB 4.05Å; W125-Q140 HydrophobicContact CH2-CG 4.43Å; W125-Q140 HydrophobicContact CZ2-CB 4.12Å; W125-Q140 HydrophobicContact CZ2-CG 4.07Å; P137-Q140 CarbonylContact O-C 3.49Å; P137-Q140 WeakPolarHBondContact O-CA 3.39Å; P137-Q140 PolarHBondContact O-N 2.87Å |
| 141 | G | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -10 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | E110 T119 | E110-G141 VanDerWaalsContact CG-CA 3.46Å; T119-G141 PolarHBondContact OG1-O 2.88Å |
| 142 | F | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | trans | -79.1 | 127.9 | 178 | -66.6 | -83 | 0 | 0 | 0 | 111.6 | L78 A109 T119 A120 A121 W125 P137 T138 F221 Y223 | L78-F142 HydrophobicContact CD2-CZ 4.41Å; A109-F142 HydrophobicContact CB-CD1 4Å; A109-F142 HydrophobicContact CB-CD2 4.06Å; A109-F142 HydrophobicContact CB-CE1 3.92Å; A109-F142 HydrophobicContact CB-CE2 3.98Å; A109-F142 HydrophobicContact CB-CG 4.09Å; A109-F142 HydrophobicContact CB-CZ 3.92Å; T119-F142 VanDerWaalsContact OG1-CA 3.26Å; T119-F142 WeakPolarHBondContact OG1-CA 3.45Å; A120-F142 VanDerWaalsContact C-CD1 3.46Å; A121-F142 HydrophobicContact CB-CB 4.49Å; A121-F142 HydrophobicContact CB-CD1 3.76Å; A121-F142 HydrophobicContact CB-CD2 4.24Å; A121-F142 HydrophobicContact CB-CE1 3.95Å; A121-F142 HydrophobicContact CB-CE2 4.41Å; A121-F142 HydrophobicContact CB-CG 3.9Å; A121-F142 HydrophobicContact CB-CZ 4.27Å; W125-F142 HydrophobicContact CH2-CE2 4.33Å; W125-F142 AromaticContact CZ3-CE2 3.97Å; W125-F142 HydrophobicContact CZ3-CE2 3.97Å; P137-F142 HydrophobicContact CB-CB 4.04Å; P137-F142 HydrophobicContact CB-CD2 3.76Å; P137-F142 HydrophobicContact CB-CG 4.14Å; P137-F142 WeakPolarHBondContact O-CB 3.48Å; P137-F142 PolarHBondContact O-N 3.45Å; T138-F142 WeakPolarHBondContact CA-O 3.42Å; F142-F221 HydrophobicContact CE1-CD1 4.1Å; F142-F221 AromaticContact CE1-CE1 3.71Å; F142-F221 HydrophobicContact CE1-CE1 3.71Å; F142-F221 AromaticContact CZ-CE1 3.96Å; F142-F221 HydrophobicContact CZ-CE1 3.96Å; F142-Y223 HydrophobicContact CE1-CD1 4.23Å; F142-Y223 HydrophobicContact CE1-CG 4.47Å; F142-Y223 HydrophobicContact CE2-CD1 4.46Å; F142-Y223 AromaticContact CZ-CD1 3.71Å; F142-Y223 HydrophobicContact CZ-CD1 3.71Å; F142-Y223 HydrophobicContact CZ-CG 4.24Å | ||
| 143 | D | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 19.2 Ų | 19.2 | 35% | 0.353 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -75.3 | -31 | 177.7 | -59.7 | -41.7 | 0 | 0 | 0 | 112 | K113 T119 | K113-D143 IonicContact NZ-OD1 3.39Å; K113-D143 PolarHBondContact NZ-OD1 3.18Å; T119-D143 PolarHBondContact N-OD2 3.41Å; T119-D143 VanDerWaalsContact N-OD2 3.1Å; T119-D143 WeakPolarHBondContact O-CB 3.38Å; T119-D143 PolarHBondContact O-N 2.69Å; T119-D143 PolarHBondContact OG1-N 2.84Å; T119-D143 PolarHBondContact OG1-OD2 3.38Å |
| 144 | Q | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 19.4 Ų | 19.4 | 33% | 0.327 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.5 | -179.8 | -49.7 | -178.6 | 49.9 | 0 | 0 | 111.5 | T119 A120 A121 N185 F205 | T119-Q144 PolarHBondContact O-N 2.85Å; T119-Q144 VanDerWaalsContact O-N 3.14Å; A120-Q144 VanDerWaalsContact CA-O 3.31Å; A120-Q144 WeakPolarHBondContact CA-O 3.36Å; A120-Q144 HydrophobicContact CB-CB 4.4Å; A121-Q144 PolarHBondContact N-O 2.75Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.37Å; Q144-F205 HydrophobicContact CB-CE1 4.46Å; Q144-F205 HydrophobicContact CB-CZ 3.79Å |
| 145 | Y | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.9 | 178.1 | 171.4 | -126.6 | 0 | 0 | 0 | 111.4 | A121 L136 P137 G147 I148 V183 H184 N185 | A121-Y145 HydrophobicContact CB-CD2 3.95Å; A121-Y145 WeakPolarHBondContact O-CA 3.18Å; A121-Y145 WeakPolarHBondContact O-CD2 3.31Å; L136-Y145 HydrophobicContact CD2-CE1 4.16Å; P137-Y145 HydrophobicContact CB-CD2 4.2Å; P137-Y145 HydrophobicContact CB-CG 4.1Å; P137-Y145 HydrophobicContact CG-CD1 3.97Å; P137-Y145 HydrophobicContact CG-CD2 3.61Å; P137-Y145 HydrophobicContact CG-CE1 4.1Å; P137-Y145 HydrophobicContact CG-CE2 3.75Å; P137-Y145 HydrophobicContact CG-CG 3.72Å; Y145-G147 WeakPolarHBondContact OH-CA 3.26Å; Y145-G147 PolarHBondContact OH-O 3.08Å; Y145-I148 PolarHBondContact OH-N 3.17Å; Y145-I148 PolarHBondContact OH-O 3.08Å; Y145-I148 VanDerWaalsContact OH-O 3.09Å; Y145-V183 HydrophobicContact CD1-CB 4.46Å; Y145-V183 HydrophobicContact CD1-CG1 4.11Å; Y145-V183 HydrophobicContact CE1-CB 3.86Å; Y145-V183 HydrophobicContact CE1-CG1 3.89Å; Y145-H184 CarbonylContact O-C 3.59Å; Y145-H184 WeakPolarHBondContact O-CA 3.42Å; Y145-H184 PolarHBondContact O-CD2 2.76Å; Y145-N185 PolarHBondContact N-OD1 2.8Å; Y145-N185 PolarHBondContact O-N 3.06Å; Y145-N185 PolarHBondContact O-OD1 2.91Å |
| 146 | L | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 114.4 | 164.6 | -178.6 | 67.9 | 0 | 0 | 0 | 108.2 | A121 V122 G123 L182 V183 H184 Y202 F205 | A121-L146 PolarHBondContact O-N 3.34Å; A121-L146 VanDerWaalsContact O-N 3.16Å; V122-L146 CarbonylContact C-O 3.57Å; V122-L146 WeakPolarHBondContact CA-O 3.24Å; G123-L146 PolarHBondContact N-O 3.23Å; L146-L182 HydrophobicContact CD1-CD1 3.94Å; L146-L182 HydrophobicContact CD1-CD2 4.38Å; L146-L182 HydrophobicContact CD1-CG 4.15Å; L146-L182 HydrophobicContact CG-CD1 4.25Å; L146-V183 WeakPolarHBondContact CA-O 3.34Å; L146-H184 HydrophobicContact CD1-CB 4.04Å; L146-Y202 HydrophobicContact CD2-CD1 4.03Å; L146-Y202 HydrophobicContact CD2-CE1 4.46Å; L146-Y202 HydrophobicContact CG-CD1 4.02Å; L146-Y202 HydrophobicContact CG-CE1 4.02Å; L146-Y202 VanDerWaalsContact O-CE1 3.31Å; L146-Y202 WeakPolarHBondContact O-CE1 3.44Å; L146-F205 HydrophobicContact CB-CD1 4.09Å; L146-F205 HydrophobicContact CB-CD2 3.86Å; L146-F205 HydrophobicContact CB-CE1 4.18Å; L146-F205 HydrophobicContact CB-CE2 3.95Å; L146-F205 HydrophobicContact CB-CG 3.92Å; L146-F205 HydrophobicContact CB-CZ 4.08Å; L146-F205 HydrophobicContact CD2-CB 3.59Å; L146-F205 HydrophobicContact CD2-CD2 3.84Å; L146-F205 HydrophobicContact CD2-CG 3.79Å; L146-F205 HydrophobicContact CG-CD2 4.44Å |
| 147 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 179.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G123 Y145 V183 Y202 | G123-G147 WeakPolarHBondContact O-CA 3.36Å; Y145-G147 WeakPolarHBondContact OH-CA 3.26Å; Y145-G147 PolarHBondContact OH-O 3.08Å; G147-V183 PolarHBondContact N-O 3.33Å; G147-V183 PolarHBondContact O-N 3.32Å; G147-Y202 WeakPolarHBondContact CA-OH 3.24Å |
| 148 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -102.4 | 130.9 | 173.4 | -56.4 | 173.7 | 0 | 0 | 0 | 108.1 | G123 K124 W125 Y145 Y150 H152 V180 V193 L198 H227 | G123-I148 PolarHBondContact O-N 3.42Å; K124-I148 WeakPolarHBondContact CA-O 3.47Å; W125-I148 PolarHBondContact N-O 3.46Å; Y145-I148 PolarHBondContact OH-N 3.17Å; Y145-I148 PolarHBondContact OH-O 3.08Å; Y145-I148 VanDerWaalsContact OH-O 3.09Å; I148-Y150 HydrophobicContact CG2-CD2 4.3Å; I148-Y150 HydrophobicContact CG2-CE2 4.48Å; I148-Y150 VanDerWaalsContact CG2-O 3.23Å; I148-Y150 WeakPolarHBondContact CG2-O 3.22Å; I148-Y150 PolarHBondContact O-N 2.89Å; I148-Y150 VanDerWaalsContact O-N 3.1Å; I148-H152 HydrophobicContact CD1-CB 3.9Å; I148-V180 HydrophobicContact CB-CG1 4.29Å; I148-V180 HydrophobicContact CD1-CG1 3.81Å; I148-V180 HydrophobicContact CG1-CG1 4.15Å; I148-V180 HydrophobicContact CG2-CG1 3.19Å; I148-V193 HydrophobicContact CD1-CB 4.43Å; I148-V193 HydrophobicContact CD1-CG1 3.93Å; I148-V193 HydrophobicContact CD1-CG2 4.29Å; I148-L198 HydrophobicContact CD1-CD2 3.87Å; I148-H227 WeakPolarHBondContact CB-NE2 3.41Å; I148-H227 WeakPolarHBondContact CD1-NE2 3.28Å | ||
| 149 | P | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -68.9 | -10.9 | -172.6 | -13.8 | 26.3 | 0 | 0 | 0 | 115.3 | H126 Y129 L136 P181 V183 | H126-P149 VanDerWaalsContact CA-O 3.27Å; H126-P149 WeakPolarHBondContact CA-O 3.4Å; H126-P149 PolarHBondContact N-O 3.04Å; Y129-P149 HydrophobicContact CD2-CB 3.68Å; Y129-P149 HydrophobicContact CD2-CG 3.6Å; Y129-P149 HydrophobicContact CE2-CB 4.49Å; Y129-P149 HydrophobicContact CE2-CG 3.95Å; L136-P149 HydrophobicContact CD2-CB 4.09Å; L136-P149 HydrophobicContact CD2-CG 4.22Å; P149-P181 HydrophobicContact CG-CG 4.35Å; P149-V183 HydrophobicContact CG-CG2 3.82Å |
| 150 | Y | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -154.2 | -175.2 | -174.2 | 40.5 | -104.3 | 0 | 0 | 0 | 109.3 | P95 I148 Q154 V180 P181 P485 | P95-Y150 HydrophobicContact CB-CD1 4.3Å; P95-Y150 HydrophobicContact CB-CE1 3.69Å; P95-Y150 HydrophobicContact CB-CE2 4.27Å; P95-Y150 HydrophobicContact CG-CD1 4.25Å; P95-Y150 HydrophobicContact CG-CD2 4.06Å; P95-Y150 HydrophobicContact CG-CE1 3.92Å; P95-Y150 HydrophobicContact CG-CE2 3.68Å; P95-Y150 HydrophobicContact CG-CG 4.31Å; I148-Y150 HydrophobicContact CG2-CD2 4.3Å; I148-Y150 HydrophobicContact CG2-CE2 4.48Å; I148-Y150 VanDerWaalsContact CG2-O 3.23Å; I148-Y150 WeakPolarHBondContact CG2-O 3.22Å; I148-Y150 PolarHBondContact O-N 2.89Å; I148-Y150 VanDerWaalsContact O-N 3.1Å; Y150-Q154 HydrophobicContact CD2-CB 3.9Å; Y150-Q154 HydrophobicContact CE2-CB 4.36Å; Y150-V180 HydrophobicContact CE2-CG1 4.26Å; Y150-V180 HydrophobicContact CE2-CG2 4.38Å; Y150-P181 WeakPolarHBondContact OH-CD 3.43Å; Y150-P485 HydrophobicContact CE1-CG 3.9Å; Y150-P485 WeakPolarHBondContact OH-CG 3.48Å |
| 151 | S | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -65.7 | 144 | -178.8 | -39.2 | 0 | 0 | 0 | 0 | 111.2 | K124 H126 D153 Q154 | K124-S151 WeakPolarHBondContact CE-OG 3.49Å; K124-S151 PolarHBondContact NZ-OG 2.94Å; H126-S151 PolarHBondContact CE1-OG 2.91Å; H126-S151 PolarHBondContact ND1-OG 3.36Å; S151-D153 WeakPolarHBondContact CB-OD1 3.48Å; S151-D153 PolarHBondContact O-N 3.03Å; S151-Q154 WeakPolarHBondContact O-CB 3.31Å; S151-Q154 PolarHBondContact O-N 3.03Å; S151-Q154 PolarHBondContact OG-OE1 3.43Å | ||
| 152 | H | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.8 | -174.2 | 66.2 | -76 | 0 | 0 | 0 | 114.6 | I148 F195 H227 H230 Y231 P232 Y234 | I148-H152 HydrophobicContact CD1-CB 3.9Å; H152-F195 HydrophobicContact CB-CE1 3.77Å; H152-F195 HydrophobicContact CB-CZ 4Å; H152-F195 AromaticContact CD2-CE1 3.79Å; H152-F195 AromaticContact CD2-CZ 3.64Å; H152-H227 AromaticContact ND1-CD2 3.8Å; H152-H230 PolarHBondContact CE1-O 3.24Å; H152-H230 VanDerWaalsContact CE1-O 3.31Å; H152-Y231 PolarHBondContact CE1-O 3.15Å; H152-Y231 PolarHBondContact NE2-O 3.26Å; H152-P232 PolarHBondContact NE2-O 3.08Å; H152-Y234 AromaticContact CD2-CE1 3.99Å; H152-Y234 AromaticContact NE2-CD1 3.72Å; H152-Y234 AromaticContact NE2-CE1 3.78Å |
| 153 | D | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5 | 167.4 | 66.9 | -32.2 | 0 | 0 | 0 | 113.7 | S151 G155 C173 D174 H230 Y231 | S151-D153 WeakPolarHBondContact CB-OD1 3.48Å; S151-D153 PolarHBondContact O-N 3.03Å; D153-G155 PolarHBondContact O-N 3.16Å; D153-C173 HydrophobicContact CB-CB 4.23Å; D153-C173 VanDerWaalsContact O-CB 3.29Å; D153-C173 WeakPolarHBondContact O-CB 3.3Å; D153-D174 PolarHBondContact O-N 3.24Å; D153-H230 IonicContact OD1-CE1 2.7Å; D153-H230 PolarHBondContact OD1-CE1 3.24Å; D153-H230 IonicContact OD1-ND1 3.58Å; D153-H230 IonicContact OD2-CE1 2.81Å; D153-H230 PolarHBondContact OD2-CE1 3.3Å; D153-Y231 HydrophobicContact CB-CD1 3.86Å; D153-Y231 HydrophobicContact CB-CE1 4.11Å; D153-Y231 WeakPolarHBondContact CB-O 3.42Å |
| 154 | Q | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -83.2 | 49.9 | 176 | -62.1 | 175.9 | -107.6 | 0 | 0 | 111.1 | F93 Y94 P95 H126 Y150 S151 D174 | F93-Q154 PolarHBondContact O-NE2 3.45Å; Y94-Q154 HydrophobicContact CD1-CG 4.5Å; Y94-Q154 VanDerWaalsContact CD1-NE2 3.28Å; P95-Q154 HydrophobicContact CG-CB 4.13Å; P95-Q154 WeakPolarHBondContact CG-O 3.19Å; H126-Q154 PolarHBondContact CE1-OE1 3.26Å; H126-Q154 PolarHBondContact NE2-OE1 2.96Å; Y150-Q154 HydrophobicContact CD2-CB 3.9Å; Y150-Q154 HydrophobicContact CE2-CB 4.36Å; S151-Q154 WeakPolarHBondContact O-CB 3.31Å; S151-Q154 PolarHBondContact O-N 3.03Å; S151-Q154 PolarHBondContact OG-OE1 3.43Å; Q154-D174 WeakPolarHBondContact CA-OD2 3.09Å |
| 155 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -179.4 | 161.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D153 C157 C173 D174 | D153-G155 PolarHBondContact O-N 3.16Å; G155-C157 PolarHBondContact O-N 3.24Å; G155-C173 WeakPolarHBondContact O-CB 3.02Å; G155-D174 CarbonylContact C-O 3.54Å |
| 156 | P | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 28.3 Ų | 28.3 | 21% | 0.208 | 16% | 0.159 | C | C | . | . | trans | -61.6 | 122.8 | -173.7 | -24 | 32.4 | 0 | 0 | 0 | 112.5 | D174 V177 V178 | P156-D174 VanDerWaalsContact CA-O 3.24Å; P156-D174 WeakPolarHBondContact CA-O 3.4Å; P156-D174 WeakPolarHBondContact CD-O 3.46Å; P156-V177 WeakPolarHBondContact CD-O 3.26Å; P156-V178 WeakPolarHBondContact CD-O 3.16Å | ||
| 157 | C | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -117.1 | 0.9 | -178.1 | 75 | 0 | 0 | 0 | 0 | 114.7 | G155 N159 L160 C169 C173 | G155-C157 PolarHBondContact O-N 3.24Å; C157-N159 PolarHBondContact O-N 3.01Å; C157-N159 VanDerWaalsContact O-N 3.13Å; C157-L160 HydrophobicContact CB-CD1 4.06Å; C157-L160 HydrophobicContact CB-CG 4.43Å; C157-L160 WeakPolarHBondContact O-CB 3.37Å; C157-L160 PolarHBondContact O-N 2.91Å; C157-C169 HydrophobicContact CB-CB 4.12Å; C157-C173 HydrophobicContact CB-CB 3.6Å; C157-C173 WeakPolarHBondContact CB-SG 3.43Å; C157-C173 WeakPolarHBondContact SG-CB 3.47Å; C157-C173 PolarHBondContact SG-N 3.02Å; C157-C173 CovalentContact SG-SG 2.02Å; C157-C173 PolarHBondContact SG-SG 3.15Å | ||
| 158 | Q | 93.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.7 | -171.8 | -58 | 77.4 | 11.6 | 0 | 0 | 112.6 | L172 | Q158-L172 HydrophobicContact CG-CD2 3.88Š|
| 159 | N | 93.8 | Very high | 97.3 | Very high | 141 Ų | 141 | 35.9 Ų | 35.9 | 75% | 0.754 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.1 | 178.5 | -66.5 | -27 | 0 | 0 | 0 | 113.3 | C157 K168 | C157-N159 PolarHBondContact O-N 3.01Å; C157-N159 VanDerWaalsContact O-N 3.13Å; N159-K168 PolarHBondContact O-NZ 2.87Å |
| 160 | L | 96.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -77.2 | 147.1 | -178.8 | -57.8 | -176.4 | 0 | 0 | 0 | 110.8 | C157 K168 C169 P192 F195 | C157-L160 HydrophobicContact CB-CD1 4.06Å; C157-L160 HydrophobicContact CB-CG 4.43Å; C157-L160 WeakPolarHBondContact O-CB 3.37Å; C157-L160 PolarHBondContact O-N 2.91Å; L160-K168 WeakPolarHBondContact O-CA 3.26Å; L160-K168 VanDerWaalsContact O-CD 3.28Å; L160-K168 WeakPolarHBondContact O-CD 3.15Å; L160-C169 PolarHBondContact O-N 3.34Å; L160-C169 VanDerWaalsContact O-N 3.16Å; L160-P192 HydrophobicContact CD1-CB 4.4Å; L160-P192 HydrophobicContact CD2-CB 3.63Å; L160-P192 HydrophobicContact CD2-CG 3.77Å; L160-F195 HydrophobicContact CB-CD2 4.38Å; L160-F195 HydrophobicContact CB-CE2 4.26Å; L160-F195 HydrophobicContact CD1-CD2 4.38Å; L160-F195 HydrophobicContact CD1-CE2 3.68Å; L160-F195 HydrophobicContact CD1-CZ 4Å |
| 161 | T | 98 | Very high | 96.7 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.8 | 174.9 | -61 | 0 | 0 | 0 | 0 | 108.1 | F163 K168 L196 | T161-F163 WeakPolarHBondContact CG2-O 3.49Å; T161-K168 PolarHBondContact OG1-NZ 2.97Å; T161-L196 HydrophobicContact CG2-CD1 3.84Å; T161-L196 HydrophobicContact CG2-CD2 4.24Å; T161-L196 HydrophobicContact CG2-CG 4.24Å |
| 162 | C | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -26.8 | 179 | -89 | 0 | 0 | 0 | 0 | 112.1 | V167 C169 Q233 Y234 A235 | C162-V167 PolarHBondContact N-O 2.92Å; C162-C169 HydrophobicContact CB-CB 3.97Å; C162-C169 WeakPolarHBondContact CB-SG 3.32Å; C162-C169 WeakPolarHBondContact SG-CA 3.13Å; C162-C169 WeakPolarHBondContact SG-CB 3.24Å; C162-C169 CovalentContact SG-SG 2.04Å; C162-C169 PolarHBondContact SG-SG 2.92Å; C162-Q233 WeakPolarHBondContact CB-O 3.18Å; C162-Q233 PolarHBondContact SG-O 2.7Å; C162-Y234 CarbonylContact O-C 3.45Å; C162-Y234 WeakPolarHBondContact O-CA 3.31Å; C162-Y234 VanDerWaalsContact O-CB 3.25Å; C162-Y234 WeakPolarHBondContact O-CB 3.28Å; C162-A235 PolarHBondContact O-N 2.93Å |
| 163 | F | 98.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.4 | 173.9 | -56.3 | -93.6 | 0 | 0 | 0 | 110.6 | T161 V167 F170 Q233 A235 A240 P247 D250 | T161-F163 WeakPolarHBondContact CG2-O 3.49Å; F163-V167 HydrophobicContact CB-CB 3.96Å; F163-V167 HydrophobicContact CB-CG1 4.42Å; F163-V167 HydrophobicContact CB-CG2 4.43Å; F163-V167 HydrophobicContact CD2-CG1 4.43Å; F163-V167 PolarHBondContact N-O 2.84Å; F163-V167 VanDerWaalsContact N-O 3.17Å; F163-V167 WeakPolarHBondContact O-CA 3.26Å; F163-V167 WeakPolarHBondContact O-CB 3.4Å; F163-V167 PolarHBondContact O-N 3.2Å; F163-F170 AromaticContact CD2-CE2 3.9Å; F163-F170 HydrophobicContact CD2-CE2 3.9Å; F163-F170 HydrophobicContact CE2-CD2 4.12Å; F163-F170 AromaticContact CE2-CE2 3.73Å; F163-F170 HydrophobicContact CE2-CE2 3.73Å; F163-Q233 HydrophobicContact CE2-CB 4.39Å; F163-Q233 WeakPolarHBondContact CE2-O 3.39Å; F163-Q233 HydrophobicContact CZ-CB 3.9Å; F163-Q233 WeakPolarHBondContact CZ-O 3.28Å; F163-A235 HydrophobicContact CD1-CB 3.84Å; F163-A235 HydrophobicContact CE1-CB 3.65Å; F163-A240 HydrophobicContact CB-CB 4.47Å; F163-A240 HydrophobicContact CD1-CB 4Å; F163-P247 HydrophobicContact CE2-CB 4.07Å; F163-P247 HydrophobicContact CZ-CB 3.69Å; F163-D250 HydrophobicContact CE1-CB 4.02Å |
| 164 | P | 97.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 159.1 | 179.3 | 28.9 | -33 | 0 | 0 | 0 | 111.8 | L196 A235 A240 | P164-L196 HydrophobicContact CB-CD1 4.27Å; P164-A235 WeakPolarHBondContact CD-O 3.27Å; P164-A240 HydrophobicContact CG-CB 3.91Å |
| 165 | P | 95.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 75% | 0.747 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -74.7 | -28.5 | -7.3 | 29 | -32 | 0 | 0 | 0 | 113.1 | ||
| 166 | D | 96.1 | Very high | 96 | Very high | 112 Ų | 112 | 57.2 Ų | 57.2 | 60% | 0.599 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.3 | 17 | -169.8 | 65.7 | -20.6 | 0 | 0 | 0 | 114.6 | K168 | D166-K168 PolarHBondContact O-N 2.99Š|
| 167 | V | 97.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 116.1 | 179.1 | -178 | 0 | 0 | 0 | 0 | 110 | C162 F163 F170 | C162-V167 PolarHBondContact N-O 2.92Å; F163-V167 HydrophobicContact CB-CB 3.96Å; F163-V167 HydrophobicContact CB-CG1 4.42Å; F163-V167 HydrophobicContact CB-CG2 4.43Å; F163-V167 HydrophobicContact CD2-CG1 4.43Å; F163-V167 PolarHBondContact N-O 2.84Å; F163-V167 VanDerWaalsContact N-O 3.17Å; F163-V167 WeakPolarHBondContact O-CA 3.26Å; F163-V167 WeakPolarHBondContact O-CB 3.4Å; F163-V167 PolarHBondContact O-N 3.2Å; V167-F170 HydrophobicContact CG1-CE2 4.2Å; V167-F170 HydrophobicContact CG1-CZ 3.95Å |
| 168 | K | 97.8 | Very high | 95.9 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 152.5 | 179.7 | -58.6 | -56.4 | 176.3 | -173.8 | 0 | 112.3 | N159 L160 T161 D166 F170 | N159-K168 PolarHBondContact O-NZ 2.87Å; L160-K168 WeakPolarHBondContact O-CA 3.26Å; L160-K168 VanDerWaalsContact O-CD 3.28Å; L160-K168 WeakPolarHBondContact O-CD 3.15Å; T161-K168 PolarHBondContact OG1-NZ 2.97Å; D166-K168 PolarHBondContact O-N 2.99Å; K168-F170 PolarHBondContact O-N 2.98Å |
| 169 | C | 97.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 133.7 | 173 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | C157 L160 C162 P232 | C157-C169 HydrophobicContact CB-CB 4.12Å; L160-C169 PolarHBondContact O-N 3.34Å; L160-C169 VanDerWaalsContact O-N 3.16Å; C162-C169 HydrophobicContact CB-CB 3.97Å; C162-C169 WeakPolarHBondContact CB-SG 3.32Å; C162-C169 WeakPolarHBondContact SG-CA 3.13Å; C162-C169 WeakPolarHBondContact SG-CB 3.24Å; C162-C169 CovalentContact SG-SG 2.04Å; C162-C169 PolarHBondContact SG-SG 2.92Å; C169-P232 HydrophobicContact CB-CB 4.09Å; C169-P232 HydrophobicContact CB-CG 4.14Å |
| 170 | F | 93.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -80.3 | 139.3 | -176.3 | -63.4 | -86.6 | 0 | 0 | 0 | 110.6 | F163 V167 K168 Y231 P247 | F163-F170 AromaticContact CD2-CE2 3.9Å; F163-F170 HydrophobicContact CD2-CE2 3.9Å; F163-F170 HydrophobicContact CE2-CD2 4.12Å; F163-F170 AromaticContact CE2-CE2 3.73Å; F163-F170 HydrophobicContact CE2-CE2 3.73Å; V167-F170 HydrophobicContact CG1-CE2 4.2Å; V167-F170 HydrophobicContact CG1-CZ 3.95Å; K168-F170 PolarHBondContact O-N 2.98Å; F170-Y231 WeakPolarHBondContact O-CE2 3.2Å; F170-Y231 PolarHBondContact O-OH 3.49Å; F170-Y231 VanDerWaalsContact O-OH 3.13Å; F170-P247 HydrophobicContact CE2-CB 4.46Å; F170-P247 HydrophobicContact CE2-CG 4.13Å; F170-P247 HydrophobicContact CZ-CG 4.49Å |
| 171 | G | 90.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 81.4 | -156.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y231 | G171-Y231 VanDerWaalsContact C-OH 3.29Å; G171-Y231 WeakPolarHBondContact CA-OH 3.5Å |
| 172 | L | 90 | Very high | 96.4 | Very high | 129 Ų | 129 | 46.1 Ų | 46.1 | 68% | 0.675 | 28% | 0.283 | S | S | * | . | trans | -120.5 | 129.8 | 175.8 | -62.4 | 174.3 | 0 | 0 | 0 | 109.8 | Q158 Y231 | Q158-L172 HydrophobicContact CG-CD2 3.88Å; L172-Y231 PolarHBondContact N-OH 2.76Å; L172-Y231 WeakPolarHBondContact O-CE1 3.19Å; L172-Y231 PolarHBondContact O-OH 2.94Å | ||
| 173 | C | 97.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | trans | -90.5 | 176.6 | 164.3 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | D153 G155 C157 | D153-C173 HydrophobicContact CB-CB 4.23Å; D153-C173 VanDerWaalsContact O-CB 3.29Å; D153-C173 WeakPolarHBondContact O-CB 3.3Å; G155-C173 WeakPolarHBondContact O-CB 3.02Å; C157-C173 HydrophobicContact CB-CB 3.6Å; C157-C173 WeakPolarHBondContact CB-SG 3.43Å; C157-C173 WeakPolarHBondContact SG-CB 3.47Å; C157-C173 PolarHBondContact SG-N 3.02Å; C157-C173 CovalentContact SG-SG 2.02Å; C157-C173 PolarHBondContact SG-SG 3.15Å | ||
| 174 | D | 97.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | -56.7 | 141.6 | -179.5 | -69.7 | -9.6 | 0 | 0 | 0 | 111.4 | D153 Q154 G155 P156 V177 | D153-D174 PolarHBondContact O-N 3.24Å; Q154-D174 WeakPolarHBondContact CA-OD2 3.09Å; G155-D174 CarbonylContact C-O 3.54Å; P156-D174 VanDerWaalsContact CA-O 3.24Å; P156-D174 WeakPolarHBondContact CA-O 3.4Å; P156-D174 WeakPolarHBondContact CD-O 3.46Å; D174-V177 HydrophobicContact CB-CG2 4.19Å | ||
| 175 | V | 96.1 | Very high | 96.4 | Very high | 101 Ų | 101 | 50 Ų | 50 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | trans | -123.1 | 159.1 | -178.5 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | V177 | V175-V177 VanDerWaalsContact C-N 3.25Å; V175-V177 PolarHBondContact O-N 3.27Å | ||
| 176 | G | 95.2 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 68% | 0.68 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 77.9 | 9.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 177 | V | 96.1 | Very high | 96.5 | Very high | 32 Ų | 32 | 51 Ų | 51 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -122.4 | 167.4 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | P156 D174 V175 P495 | P156-V177 WeakPolarHBondContact CD-O 3.26Å; D174-V177 HydrophobicContact CB-CG2 4.19Å; V175-V177 VanDerWaalsContact C-N 3.25Å; V175-V177 PolarHBondContact O-N 3.27Å; V177-P495 VanDerWaalsContact C-CB 3.5Å |
| 178 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 151.3 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | P95 P156 E484 P485 P495 C498 | P95-V178 HydrophobicContact CB-CG2 4.47Å; P156-V178 WeakPolarHBondContact CD-O 3.16Å; V178-E484 HydrophobicContact CB-CB 4.4Å; V178-E484 HydrophobicContact CG1-CB 3.81Å; V178-E484 WeakPolarHBondContact CG1-OE2 3.46Å; V178-E484 HydrophobicContact CG2-CB 3.76Å; V178-E484 HydrophobicContact CG2-CG 4.36Å; V178-E484 PolarHBondContact N-OE2 3.33Å; V178-P485 HydrophobicContact CG2-CG 4.22Å; V178-P495 HydrophobicContact CB-CB 4.4Å; V178-P495 HydrophobicContact CG1-CB 3.79Å; V178-C498 HydrophobicContact CG1-CB 4.03Å |
| 179 | T | 97.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 153.8 | 168.3 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | P181 Q191 P192 | T179-P181 WeakPolarHBondContact O-CD 3.42Å; T179-Q191 WeakPolarHBondContact O-CG 3.08Å; T179-Q191 PolarHBondContact O-NE2 2.92Å; T179-Q191 VanDerWaalsContact OG1-CG 3.31Å; T179-Q191 WeakPolarHBondContact OG1-CG 3.31Å; T179-P192 HydrophobicContact CG2-CB 4.36Å |
| 180 | V | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 124.3 | -171.5 | -179 | 0 | 0 | 0 | 0 | 111 | I148 Y150 P192 V193 | I148-V180 HydrophobicContact CB-CG1 4.29Å; I148-V180 HydrophobicContact CD1-CG1 3.81Å; I148-V180 HydrophobicContact CG1-CG1 4.15Å; I148-V180 HydrophobicContact CG2-CG1 3.19Å; Y150-V180 HydrophobicContact CE2-CG1 4.26Å; Y150-V180 HydrophobicContact CE2-CG2 4.38Å; V180-P192 CarbonylContact O-C 3.56Å; V180-P192 WeakPolarHBondContact O-CA 3.33Å; V180-V193 HydrophobicContact CB-CG1 4.14Å; V180-V193 HydrophobicContact CG1-CG1 4.07Å; V180-V193 PolarHBondContact O-N 2.92Å |
| 181 | P | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 145.4 | 179.6 | 34.9 | -34.5 | 0 | 0 | 0 | 112.2 | P149 Y150 T179 V183 I188 Q190 Q191 P485 | P149-P181 HydrophobicContact CG-CG 4.35Å; Y150-P181 WeakPolarHBondContact OH-CD 3.43Å; T179-P181 WeakPolarHBondContact O-CD 3.42Å; P181-V183 HydrophobicContact CB-CG2 4.31Å; P181-V183 HydrophobicContact CG-CG2 4.32Å; P181-I188 HydrophobicContact CB-CB 4.48Å; P181-I188 HydrophobicContact CB-CD1 4.31Å; P181-I188 HydrophobicContact CB-CG1 4.07Å; P181-I188 HydrophobicContact CB-CG2 3.65Å; P181-Q190 CarbonylContact C-O 3.57Å; P181-Q190 WeakPolarHBondContact CA-O 3.36Å; P181-Q191 HydrophobicContact CB-CB 4.31Å; P181-Q191 HydrophobicContact CB-CG 4.27Å; P181-P485 HydrophobicContact CG-CB 4.05Å; P181-P485 HydrophobicContact CG-CG 3.74Å |
| 182 | L | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.1 | 156.9 | 178.1 | 61.5 | 0 | 0 | 0 | 108.7 | L146 K189 Q190 V193 L198 Y202 | L146-L182 HydrophobicContact CD1-CD1 3.94Å; L146-L182 HydrophobicContact CD1-CD2 4.38Å; L146-L182 HydrophobicContact CD1-CG 4.15Å; L146-L182 HydrophobicContact CG-CD1 4.25Å; L182-K189 HydrophobicContact CD2-CD 4.44Å; L182-K189 PolarHBondContact O-N 3.29Å; L182-Q190 HydrophobicContact CB-CB 4.23Å; L182-Q190 PolarHBondContact N-O 3.42Å; L182-Q190 PolarHBondContact O-N 2.95Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 HydrophobicContact CB-CG2 4.03Å; L182-L198 HydrophobicContact CD1-CD1 3.95Å; L182-L198 HydrophobicContact CD2-CD1 4.45Å; L182-Y202 HydrophobicContact CD1-CE1 3.82Å |
| 183 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.2 | -179 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | L136 Y145 L146 G147 P149 P181 N185 K187 I188 | L136-V183 HydrophobicContact CD1-CG1 4.24Å; Y145-V183 HydrophobicContact CD1-CB 4.46Å; Y145-V183 HydrophobicContact CD1-CG1 4.11Å; Y145-V183 HydrophobicContact CE1-CB 3.86Å; Y145-V183 HydrophobicContact CE1-CG1 3.89Å; L146-V183 WeakPolarHBondContact CA-O 3.34Å; G147-V183 PolarHBondContact N-O 3.33Å; G147-V183 PolarHBondContact O-N 3.32Å; P149-V183 HydrophobicContact CG-CG2 3.82Å; P181-V183 HydrophobicContact CB-CG2 4.31Å; P181-V183 HydrophobicContact CG-CG2 4.32Å; V183-N185 VanDerWaalsContact CG1-O 3.28Å; V183-N185 WeakPolarHBondContact CG1-O 3.31Å; V183-K187 CarbonylContact C-O 3.53Å; V183-K187 WeakPolarHBondContact CA-O 3.41Å; V183-I188 HydrophobicContact CG2-CG1 4.17Å |
| 184 | H | 98.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.9 | 167.8 | -176.8 | -167.8 | 0 | 0 | 0 | 108.2 | Y145 L146 D186 K187 K189 F205 | Y145-H184 CarbonylContact O-C 3.59Å; Y145-H184 WeakPolarHBondContact O-CA 3.42Å; Y145-H184 PolarHBondContact O-CD2 2.76Å; L146-H184 HydrophobicContact CD1-CB 4.04Å; H184-D186 PolarHBondContact O-N 3.16Å; H184-K187 PolarHBondContact N-O 2.85Å; H184-K187 PolarHBondContact O-N 2.94Å; H184-K189 HydrophobicContact CB-CB 4.48Å; H184-F205 AromaticContact NE2-CE2 3.92Å |
| 185 | N | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -100.2 | -169.4 | -57.9 | -31.2 | 0 | 0 | 0 | 111.5 | T138 Q144 Y145 V183 | T138-N185 HydrophobicContact CG2-CB 4.1Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.37Å; Y145-N185 PolarHBondContact N-OD1 2.8Å; Y145-N185 PolarHBondContact O-N 3.06Å; Y145-N185 PolarHBondContact O-OD1 2.91Å; V183-N185 VanDerWaalsContact CG1-O 3.28Å; V183-N185 WeakPolarHBondContact CG1-O 3.31Å |
| 186 | D | 95.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 40 Ų | 40 | 55% | 0.551 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 1.9 | -178.4 | 63.4 | -28.2 | 0 | 0 | 0 | 112.9 | H184 | H184-D186 PolarHBondContact O-N 3.16Š|
| 187 | K | 97 | Very high | 97.3 | Very high | 146 Ų | 146 | 41 Ų | 41 | 64% | 0.635 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.5 | -175.1 | -65.4 | -177 | -175.6 | -177.6 | 0 | 111.9 | V183 H184 K189 | V183-K187 CarbonylContact C-O 3.53Å; V183-K187 WeakPolarHBondContact CA-O 3.41Å; H184-K187 PolarHBondContact N-O 2.85Å; H184-K187 PolarHBondContact O-N 2.94Å; K187-K189 PolarHBondContact O-N 3.09Å |
| 188 | I | 97.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.1 | 170 | -58.3 | 165.8 | 0 | 0 | 0 | 108.1 | P181 V183 Q191 P485 C487 | P181-I188 HydrophobicContact CB-CB 4.48Å; P181-I188 HydrophobicContact CB-CD1 4.31Å; P181-I188 HydrophobicContact CB-CG1 4.07Å; P181-I188 HydrophobicContact CB-CG2 3.65Å; V183-I188 HydrophobicContact CG2-CG1 4.17Å; I188-Q191 HydrophobicContact CG2-CB 3.96Å; I188-P485 HydrophobicContact CD1-CB 3.82Å; I188-C487 HydrophobicContact CB-CB 3.83Å; I188-C487 HydrophobicContact CD1-CB 4.2Å; I188-C487 HydrophobicContact CG2-CB 3.62Å |
| 189 | K | 97.3 | Very high | 97.5 | Very high | 126 Ų | 126 | 39.7 Ų | 39.7 | 55% | 0.548 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -32.2 | -179.3 | -174.5 | -176.3 | 174.5 | -170.7 | 0 | 112.2 | L182 H184 K187 | L182-K189 HydrophobicContact CD2-CD 4.44Å; L182-K189 PolarHBondContact O-N 3.29Å; H184-K189 HydrophobicContact CB-CB 4.48Å; K187-K189 PolarHBondContact O-N 3.09Å |
| 190 | Q | 98 | Very high | 97.5 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 140.8 | -176.7 | 178.6 | -178.4 | 56.7 | 0 | 0 | 109.3 | P181 L182 P192 | P181-Q190 CarbonylContact C-O 3.57Å; P181-Q190 WeakPolarHBondContact CA-O 3.36Å; L182-Q190 HydrophobicContact CB-CB 4.23Å; L182-Q190 PolarHBondContact N-O 3.42Å; L182-Q190 PolarHBondContact O-N 2.95Å; Q190-P192 VanDerWaalsContact CG-O 3.27Å; Q190-P192 WeakPolarHBondContact CG-O 3.28Å |
| 191 | Q | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -160.3 | 105.4 | 179.9 | -175.1 | 173.6 | 32.9 | 0 | 0 | 110.9 | T179 P181 I188 P485 C498 H499 C500 | T179-Q191 WeakPolarHBondContact O-CG 3.08Å; T179-Q191 PolarHBondContact O-NE2 2.92Å; T179-Q191 VanDerWaalsContact OG1-CG 3.31Å; T179-Q191 WeakPolarHBondContact OG1-CG 3.31Å; P181-Q191 HydrophobicContact CB-CB 4.31Å; P181-Q191 HydrophobicContact CB-CG 4.27Å; I188-Q191 HydrophobicContact CG2-CB 3.96Å; Q191-P485 PolarHBondContact NE2-O 3.17Å; Q191-C498 WeakPolarHBondContact CG-O 3.44Å; Q191-H499 WeakPolarHBondContact O-CA 3.23Å; Q191-H499 PolarHBondContact O-ND1 3.06Å; Q191-C500 WeakPolarHBondContact CA-OXT 3.48Å; Q191-C500 PolarHBondContact N-OXT 2.81Å; Q191-C500 PolarHBondContact O-N 3.32Å |
| 192 | P | 97.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | S | Bend | cis | -73.7 | 147 | 7.5 | 29.5 | -36.2 | 0 | 0 | 0 | 112.5 | L160 T179 V180 Q190 H499 | L160-P192 HydrophobicContact CD1-CB 4.4Å; L160-P192 HydrophobicContact CD2-CB 3.63Å; L160-P192 HydrophobicContact CD2-CG 3.77Å; T179-P192 HydrophobicContact CG2-CB 4.36Å; V180-P192 CarbonylContact O-C 3.56Å; V180-P192 WeakPolarHBondContact O-CA 3.33Å; Q190-P192 VanDerWaalsContact CG-O 3.27Å; Q190-P192 WeakPolarHBondContact CG-O 3.28Å; P192-H499 WeakPolarHBondContact CD-ND1 3.36Å |
| 193 | V | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -55.6 | 140.5 | 167 | 65.7 | 0 | 0 | 0 | 0 | 112 | I148 V180 L182 F195 L198 | I148-V193 HydrophobicContact CD1-CB 4.43Å; I148-V193 HydrophobicContact CD1-CG1 3.93Å; I148-V193 HydrophobicContact CD1-CG2 4.29Å; V180-V193 HydrophobicContact CB-CG1 4.14Å; V180-V193 HydrophobicContact CG1-CG1 4.07Å; V180-V193 PolarHBondContact O-N 2.92Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 HydrophobicContact CB-CG2 4.03Å; V193-F195 HydrophobicContact CG1-CD1 3.95Å; V193-F195 HydrophobicContact CG1-CE1 3.48Å; V193-F195 VanDerWaalsContact CG1-CE1 3.48Å; V193-F195 HydrophobicContact CG1-CZ 4.2Å; V193-L198 HydrophobicContact CG2-CD1 3.5Å; V193-L198 VanDerWaalsContact CG2-CD1 3.5Å; V193-L198 HydrophobicContact CG2-CD2 3.89Å; V193-L198 HydrophobicContact CG2-CG 4.18Å | ||
| 194 | N | 97.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | trans | -90 | 106.1 | 171 | -178 | 9.9 | 0 | 0 | 0 | 110.8 | L196 D197 L198 | N194-L196 VanDerWaalsContact C-N 3.26Å; N194-L196 PolarHBondContact O-N 2.81Å; N194-L196 PolarHBondContact OD1-N 2.87Å; N194-D197 PolarHBondContact ND2-OD2 3.39Å; N194-D197 PolarHBondContact O-N 3.05Å; N194-L198 WeakPolarHBondContact O-CB 3.38Å; N194-L198 PolarHBondContact O-N 2.9Å | ||
| 195 | F | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -30.1 | -179.6 | -66.2 | -36.1 | 0 | 0 | 0 | 114.4 | H152 L160 V193 D197 L198 Y234 | H152-F195 HydrophobicContact CB-CE1 3.77Å; H152-F195 HydrophobicContact CB-CZ 4Å; H152-F195 AromaticContact CD2-CE1 3.79Å; H152-F195 AromaticContact CD2-CZ 3.64Å; L160-F195 HydrophobicContact CB-CD2 4.38Å; L160-F195 HydrophobicContact CB-CE2 4.26Å; L160-F195 HydrophobicContact CD1-CD2 4.38Å; L160-F195 HydrophobicContact CD1-CE2 3.68Å; L160-F195 HydrophobicContact CD1-CZ 4Å; V193-F195 HydrophobicContact CG1-CD1 3.95Å; V193-F195 HydrophobicContact CG1-CE1 3.48Å; V193-F195 VanDerWaalsContact CG1-CE1 3.48Å; V193-F195 HydrophobicContact CG1-CZ 4.2Å; F195-D197 VanDerWaalsContact C-N 3.29Å; F195-D197 PolarHBondContact O-N 2.88Å; F195-L198 HydrophobicContact CD1-CD2 4.02Å; F195-L198 PolarHBondContact O-N 3.41Å; F195-Y234 HydrophobicContact CB-CD1 4.45Å; F195-Y234 HydrophobicContact CB-CD2 3.75Å; F195-Y234 HydrophobicContact CB-CE2 4.38Å; F195-Y234 HydrophobicContact CB-CG 3.79Å; F195-Y234 HydrophobicContact CD1-CD1 4.26Å; F195-Y234 HydrophobicContact CD1-CE1 4.34Å; F195-Y234 HydrophobicContact CD1-CG 4.41Å; F195-Y234 HydrophobicContact CG-CD1 4.25Å; F195-Y234 HydrophobicContact CG-CD2 4.39Å; F195-Y234 HydrophobicContact CG-CG 4.06Å; F195-Y234 WeakPolarHBondContact O-CD2 3.37Å |
| 196 | L | 96.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -26.3 | -177.3 | -58.7 | -169.8 | 0 | 0 | 0 | 113.7 | T161 P164 N194 | T161-L196 HydrophobicContact CG2-CD1 3.84Å; T161-L196 HydrophobicContact CG2-CD2 4.24Å; T161-L196 HydrophobicContact CG2-CG 4.24Å; P164-L196 HydrophobicContact CB-CD1 4.27Å; N194-L196 VanDerWaalsContact C-N 3.26Å; N194-L196 PolarHBondContact O-N 2.81Å; N194-L196 PolarHBondContact OD1-N 2.87Å |
| 197 | D | 95.2 | Very high | 97.7 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -106.9 | -4.2 | -179.1 | -66.4 | -39.3 | 0 | 0 | 0 | 112.7 | N194 F195 S201 | N194-D197 PolarHBondContact ND2-OD2 3.39Å; N194-D197 PolarHBondContact O-N 3.05Å; F195-D197 VanDerWaalsContact C-N 3.29Å; F195-D197 PolarHBondContact O-N 2.88Å; D197-S201 WeakPolarHBondContact O-CB 3.48Å; D197-S201 PolarHBondContact O-N 2.62Å; D197-S201 PolarHBondContact O-OG 3.34Å |
| 198 | L | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -53.8 | -168.3 | -173.8 | 56 | 0 | 0 | 0 | 111.7 | I148 L182 V193 N194 F195 K200 S201 Y202 Y234 | I148-L198 HydrophobicContact CD1-CD2 3.87Å; L182-L198 HydrophobicContact CD1-CD1 3.95Å; L182-L198 HydrophobicContact CD2-CD1 4.45Å; V193-L198 HydrophobicContact CG2-CD1 3.5Å; V193-L198 VanDerWaalsContact CG2-CD1 3.5Å; V193-L198 HydrophobicContact CG2-CD2 3.89Å; V193-L198 HydrophobicContact CG2-CG 4.18Å; N194-L198 WeakPolarHBondContact O-CB 3.38Å; N194-L198 PolarHBondContact O-N 2.9Å; F195-L198 HydrophobicContact CD1-CD2 4.02Å; F195-L198 PolarHBondContact O-N 3.41Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 2.99Å; L198-S201 WeakPolarHBondContact O-CB 3.41Å; L198-S201 PolarHBondContact O-N 3.3Å; L198-S201 VanDerWaalsContact O-N 3.08Å; L198-Y202 HydrophobicContact CD1-CD2 4.4Å; L198-Y202 HydrophobicContact CD1-CE1 3.88Å; L198-Y202 HydrophobicContact CD1-CE2 3.62Å; L198-Y202 VanDerWaalsContact CD1-OH 3.25Å; L198-Y202 WeakPolarHBondContact CD1-OH 3.13Å; L198-Y202 HydrophobicContact CD2-CE2 4.01Å; L198-Y202 HydrophobicContact CG-CD2 4.14Å; L198-Y202 HydrophobicContact CG-CE2 3.46Å; L198-Y202 VanDerWaalsContact CG-CE2 3.46Å; L198-Y202 PolarHBondContact O-N 2.84Å; L198-Y234 HydrophobicContact CB-CE2 4.4Å; L198-Y234 HydrophobicContact CD2-CE2 4.44Å |
| 199 | E | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | -177.9 | -172.1 | 59.3 | -166.3 | 0 | 0 | 111.9 | Y202 S203 Y224 E254 T258 | E199-Y202 PolarHBondContact O-N 3.18Å; E199-S203 WeakPolarHBondContact O-CB 3.32Å; E199-S203 PolarHBondContact O-N 2.84Å; E199-Y224 PolarHBondContact OE1-OH 3.41Å; E199-Y224 PolarHBondContact OE2-OH 2.81Å; E199-Y224 VanDerWaalsContact OE2-OH 3.05Å; E199-E254 HydrophobicContact CB-CG 4.3Å; E199-E254 WeakPolarHBondContact CB-OE2 3.14Å; E199-E254 HydrophobicContact CG-CG 3.88Å; E199-T258 VanDerWaalsContact CG-OG1 3.29Å; E199-T258 WeakPolarHBondContact CG-OG1 3.28Å; E199-T258 WeakPolarHBondContact OE1-CB 3.48Å; E199-T258 VanDerWaalsContact OE1-CG2 3.26Å; E199-T258 WeakPolarHBondContact OE1-CG2 3.44Å; E199-T258 PolarHBondContact OE1-OG1 2.92Å |
| 200 | K | 96.9 | Very high | 97.9 | Very high | 102 Ų | 102 | 30.8 Ų | 30.8 | 44% | 0.443 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 170.2 | -174.1 | -175 | -179.6 | -59.6 | 0 | 111.3 | L198 Y202 S203 D204 | L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 2.99Å; K200-Y202 VanDerWaalsContact C-N 3.29Å; K200-Y202 PolarHBondContact O-N 3.33Å; K200-S203 PolarHBondContact O-N 2.85Å; K200-D204 IonicContact NZ-OD1 3.46Å; K200-D204 IonicContact NZ-OD2 3.46Å; K200-D204 PolarHBondContact NZ-OD2 2.86Å; K200-D204 WeakPolarHBondContact O-CB 3.3Å; K200-D204 PolarHBondContact O-N 2.99Å |
| 201 | S | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | D197 L198 F205 | D197-S201 WeakPolarHBondContact O-CB 3.48Å; D197-S201 PolarHBondContact O-N 2.62Å; D197-S201 PolarHBondContact O-OG 3.34Å; L198-S201 WeakPolarHBondContact O-CB 3.41Å; L198-S201 PolarHBondContact O-N 3.3Å; L198-S201 VanDerWaalsContact O-N 3.08Å; S201-F205 VanDerWaalsContact O-CB 3.28Å; S201-F205 WeakPolarHBondContact O-CB 3.41Å; S201-F205 PolarHBondContact O-N 3.25Å |
| 202 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -49 | 174.5 | -67.1 | -25.5 | 0 | 0 | 0 | 112.8 | V122 L146 G147 L182 L198 E199 K200 D204 F205 A206 Y224 H227 | V122-Y202 HydrophobicContact CG1-CD1 3.62Å; V122-Y202 HydrophobicContact CG1-CG 3.71Å; L146-Y202 HydrophobicContact CD2-CD1 4.03Å; L146-Y202 HydrophobicContact CD2-CE1 4.46Å; L146-Y202 HydrophobicContact CG-CD1 4.02Å; L146-Y202 HydrophobicContact CG-CE1 4.02Å; L146-Y202 VanDerWaalsContact O-CE1 3.31Å; L146-Y202 WeakPolarHBondContact O-CE1 3.44Å; G147-Y202 WeakPolarHBondContact CA-OH 3.24Å; L182-Y202 HydrophobicContact CD1-CE1 3.82Å; L198-Y202 HydrophobicContact CD1-CD2 4.4Å; L198-Y202 HydrophobicContact CD1-CE1 3.88Å; L198-Y202 HydrophobicContact CD1-CE2 3.62Å; L198-Y202 VanDerWaalsContact CD1-OH 3.25Å; L198-Y202 WeakPolarHBondContact CD1-OH 3.13Å; L198-Y202 HydrophobicContact CD2-CE2 4.01Å; L198-Y202 HydrophobicContact CG-CD2 4.14Å; L198-Y202 HydrophobicContact CG-CE2 3.46Å; L198-Y202 VanDerWaalsContact CG-CE2 3.46Å; L198-Y202 PolarHBondContact O-N 2.84Å; E199-Y202 PolarHBondContact O-N 3.18Å; K200-Y202 VanDerWaalsContact C-N 3.29Å; K200-Y202 PolarHBondContact O-N 3.33Å; Y202-D204 VanDerWaalsContact C-N 3.32Å; Y202-D204 PolarHBondContact O-N 3.01Å; Y202-F205 PolarHBondContact O-N 3.44Å; Y202-A206 WeakPolarHBondContact O-CB 3.47Å; Y202-A206 PolarHBondContact O-N 3.21Å; Y202-Y224 VanDerWaalsContact CB-OH 3.24Å; Y202-Y224 WeakPolarHBondContact CB-OH 3.21Å; Y202-H227 AromaticContact CE2-CE1 3.53Å; Y202-H227 AromaticContact CE2-ND1 3.49Å; Y202-H227 WeakPolarHBondContact CE2-ND1 3.43Å; Y202-H227 AromaticContact CZ-CE1 3.69Å; Y202-H227 PolarHBondContact OH-CE1 2.81Å |
| 203 | S | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | E199 K200 T207 | E199-S203 WeakPolarHBondContact O-CB 3.32Å; E199-S203 PolarHBondContact O-N 2.84Å; K200-S203 PolarHBondContact O-N 2.85Å; S203-T207 VanDerWaalsContact O-CB 3.25Å; S203-T207 WeakPolarHBondContact O-CB 3.49Å; S203-T207 PolarHBondContact O-N 3.16Å; S203-T207 PolarHBondContact O-OG1 3.16Å |
| 204 | D | 98.8 | Very high | 98.2 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 178.6 | -71.6 | -13.2 | 0 | 0 | 0 | 111.3 | K200 Y202 T207 N208 | K200-D204 IonicContact NZ-OD1 3.46Å; K200-D204 IonicContact NZ-OD2 3.46Å; K200-D204 PolarHBondContact NZ-OD2 2.86Å; K200-D204 WeakPolarHBondContact O-CB 3.3Å; K200-D204 PolarHBondContact O-N 2.99Å; Y202-D204 VanDerWaalsContact C-N 3.32Å; Y202-D204 PolarHBondContact O-N 3.01Å; D204-T207 PolarHBondContact O-N 3.43Å; D204-N208 WeakPolarHBondContact O-CB 3.34Å; D204-N208 VanDerWaalsContact O-CG 3.28Å; D204-N208 PolarHBondContact O-N 3.04Å; D204-N208 PolarHBondContact O-ND2 2.93Å |
| 205 | F | 98.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 177.9 | -179.7 | -85.3 | 0 | 0 | 0 | 111.8 | A120 V122 Q144 L146 H184 S201 Y202 T207 N208 F209 | A120-F205 HydrophobicContact CB-CE1 4.42Å; V122-F205 HydrophobicContact CG1-CD1 4.44Å; V122-F205 HydrophobicContact CG2-CD1 3.54Å; V122-F205 HydrophobicContact CG2-CE1 3.75Å; Q144-F205 HydrophobicContact CB-CE1 4.46Å; Q144-F205 HydrophobicContact CB-CZ 3.79Å; L146-F205 HydrophobicContact CB-CD1 4.09Å; L146-F205 HydrophobicContact CB-CD2 3.86Å; L146-F205 HydrophobicContact CB-CE1 4.18Å; L146-F205 HydrophobicContact CB-CE2 3.95Å; L146-F205 HydrophobicContact CB-CG 3.92Å; L146-F205 HydrophobicContact CB-CZ 4.08Å; L146-F205 HydrophobicContact CD2-CB 3.59Å; L146-F205 HydrophobicContact CD2-CD2 3.84Å; L146-F205 HydrophobicContact CD2-CG 3.79Å; L146-F205 HydrophobicContact CG-CD2 4.44Å; H184-F205 AromaticContact NE2-CE2 3.92Å; S201-F205 VanDerWaalsContact O-CB 3.28Å; S201-F205 WeakPolarHBondContact O-CB 3.41Å; S201-F205 PolarHBondContact O-N 3.25Å; Y202-F205 PolarHBondContact O-N 3.44Å; F205-T207 PolarHBondContact O-N 2.93Å; F205-N208 PolarHBondContact O-N 3.36Å; F205-F209 WeakPolarHBondContact O-CB 3.46Å; F205-F209 PolarHBondContact O-N 2.91Å |
| 206 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V122 Y202 F209 I210 L222 Y224 L262 | V122-A206 HydrophobicContact CG2-CB 4.38Å; Y202-A206 WeakPolarHBondContact O-CB 3.47Å; Y202-A206 PolarHBondContact O-N 3.21Å; A206-F209 WeakPolarHBondContact O-CB 3.17Å; A206-F209 PolarHBondContact O-N 3.16Å; A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.11Å; A206-L222 HydrophobicContact CB-CD1 4.24Å; A206-L222 HydrophobicContact CB-CD2 3.95Å; A206-Y224 HydrophobicContact CB-CD2 4.38Å; A206-Y224 HydrophobicContact CB-CE2 4.4Å; A206-L262 HydrophobicContact CB-CD1 4Å; A206-L262 HydrophobicContact CB-CD2 3.71Å |
| 207 | T | 98.9 | Very high | 98.3 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | S203 D204 F205 F209 I210 I211 T265 | S203-T207 VanDerWaalsContact O-CB 3.25Å; S203-T207 WeakPolarHBondContact O-CB 3.49Å; S203-T207 PolarHBondContact O-N 3.16Å; S203-T207 PolarHBondContact O-OG1 3.16Å; D204-T207 PolarHBondContact O-N 3.43Å; F205-T207 PolarHBondContact O-N 2.93Å; T207-F209 VanDerWaalsContact C-N 3.33Å; T207-F209 PolarHBondContact O-N 3.22Å; T207-I210 PolarHBondContact O-N 2.93Å; T207-I211 HydrophobicContact CG2-CD1 3.69Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 VanDerWaalsContact O-CG1 3.27Å; T207-I211 WeakPolarHBondContact O-CG1 3.27Å; T207-I211 PolarHBondContact O-N 3.25Å; T207-T265 HydrophobicContact CG2-CG2 3.95Å |
| 208 | N | 98.9 | Very high | 98.4 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.8 | -75.6 | -36.6 | 0 | 0 | 0 | 112.5 | D204 F205 T212 | D204-N208 WeakPolarHBondContact O-CB 3.34Å; D204-N208 VanDerWaalsContact O-CG 3.28Å; D204-N208 PolarHBondContact O-N 3.04Å; D204-N208 PolarHBondContact O-ND2 2.93Å; F205-N208 PolarHBondContact O-N 3.36Å; N208-T212 VanDerWaalsContact O-CB 3.22Å; N208-T212 WeakPolarHBondContact O-CB 3.48Å; N208-T212 PolarHBondContact O-N 3.06Å; N208-T212 PolarHBondContact O-OG1 3.46Å |
| 209 | F | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 175.2 | 170.7 | -103.3 | 0 | 0 | 0 | 111.8 | A118 A120 F205 A206 T207 T212 S213 F220 L222 | A118-F209 HydrophobicContact CB-CE2 3.86Å; A118-F209 HydrophobicContact CB-CZ 3.98Å; A120-F209 HydrophobicContact CB-CD1 3.87Å; A120-F209 HydrophobicContact CB-CD2 3.64Å; A120-F209 HydrophobicContact CB-CE1 3.79Å; A120-F209 HydrophobicContact CB-CE2 3.55Å; A120-F209 HydrophobicContact CB-CG 3.79Å; A120-F209 HydrophobicContact CB-CZ 3.62Å; F205-F209 WeakPolarHBondContact O-CB 3.46Å; F205-F209 PolarHBondContact O-N 2.91Å; A206-F209 WeakPolarHBondContact O-CB 3.17Å; A206-F209 PolarHBondContact O-N 3.16Å; T207-F209 VanDerWaalsContact C-N 3.33Å; T207-F209 PolarHBondContact O-N 3.22Å; F209-T212 PolarHBondContact O-N 2.9Å; F209-S213 WeakPolarHBondContact O-CB 3.44Å; F209-S213 PolarHBondContact O-N 2.69Å; F209-S213 PolarHBondContact O-OG 2.93Å; F209-F220 HydrophobicContact CE1-CB 3.8Å; F209-F220 HydrophobicContact CE1-CD2 4.02Å; F209-F220 HydrophobicContact CE1-CG 4.17Å; F209-F220 HydrophobicContact CZ-CB 3.79Å; F209-L222 HydrophobicContact CD1-CB 4.38Å; F209-L222 HydrophobicContact CD1-CD1 4.23Å; F209-L222 HydrophobicContact CE1-CB 4.09Å |
| 210 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -54 | 176.7 | -67.8 | 165.1 | 0 | 0 | 0 | 110 | A206 T207 T212 S213 V214 F220 L222 L262 T265 L266 | A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.11Å; T207-I210 PolarHBondContact O-N 2.93Å; I210-T212 VanDerWaalsContact C-N 3.27Å; I210-T212 PolarHBondContact O-N 3.43Å; I210-S213 PolarHBondContact O-N 2.81Å; I210-V214 HydrophobicContact CG2-CG2 4.48Å; I210-V214 WeakPolarHBondContact O-CG2 3.46Å; I210-V214 PolarHBondContact O-N 3.41Å; I210-F220 HydrophobicContact CG1-CE2 4.07Å; I210-F220 HydrophobicContact CG1-CZ 4.22Å; I210-F220 HydrophobicContact CG2-CE1 4.33Å; I210-F220 HydrophobicContact CG2-CZ 4.06Å; I210-L222 HydrophobicContact CD1-CD2 4.13Å; I210-L222 HydrophobicContact CG1-CD2 4.47Å; I210-L262 HydrophobicContact CD1-CD2 4.29Å; I210-T265 HydrophobicContact CB-CG2 4.19Å; I210-T265 HydrophobicContact CD1-CG2 4.37Å; I210-T265 HydrophobicContact CG2-CG2 3.94Å; I210-L266 HydrophobicContact CD1-CD2 4.13Å; I210-L266 HydrophobicContact CD1-CG 4.4Å; I210-L266 HydrophobicContact CG2-CD2 3.93Å |
| 211 | I | 98.9 | Very high | 98.6 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 21% | 0.205 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.7 | -43.2 | -178.5 | -68.1 | 168.5 | 0 | 0 | 0 | 111 | T207 K215 T265 M269 | T207-I211 HydrophobicContact CG2-CD1 3.69Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 VanDerWaalsContact O-CG1 3.27Å; T207-I211 WeakPolarHBondContact O-CG1 3.27Å; T207-I211 PolarHBondContact O-N 3.25Å; I211-K215 HydrophobicContact CG2-CD 4.04Å; I211-K215 WeakPolarHBondContact O-CB 3.33Å; I211-K215 VanDerWaalsContact O-CG 3.3Å; I211-K215 WeakPolarHBondContact O-CG 3.25Å; I211-K215 PolarHBondContact O-N 3.4Å; I211-T265 HydrophobicContact CG1-CG2 4.22Å; I211-M269 HydrophobicContact CB-SD 4.47Å; I211-M269 HydrophobicContact CG1-CG 4.1Å; I211-M269 HydrophobicContact CG1-SD 3.85Å; I211-M269 HydrophobicContact CG2-CE 4.34Å; I211-M269 HydrophobicContact CG2-SD 4.44Å |
| 212 | T | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 36% | 0.362 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.7 | -42.6 | -179 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | N208 F209 I210 K215 K216 | N208-T212 VanDerWaalsContact O-CB 3.22Å; N208-T212 WeakPolarHBondContact O-CB 3.48Å; N208-T212 PolarHBondContact O-N 3.06Å; N208-T212 PolarHBondContact O-OG1 3.46Å; F209-T212 PolarHBondContact O-N 2.9Å; I210-T212 VanDerWaalsContact C-N 3.27Å; I210-T212 PolarHBondContact O-N 3.43Å; T212-K215 PolarHBondContact O-N 2.82Å; T212-K216 HydrophobicContact CG2-CD 4.26Å; T212-K216 WeakPolarHBondContact O-CG 3.5Å; T212-K216 PolarHBondContact O-N 3.02Å |
| 213 | S | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 179 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | F209 I210 K216 N217 Q218 | F209-S213 WeakPolarHBondContact O-CB 3.44Å; F209-S213 PolarHBondContact O-N 2.69Å; F209-S213 PolarHBondContact O-OG 2.93Å; I210-S213 PolarHBondContact O-N 2.81Å; S213-K216 CarbonylContact O-C 3.54Å; S213-K216 PolarHBondContact O-N 3.33Å; S213-N217 PolarHBondContact O-N 3.02Å; S213-N217 VanDerWaalsContact O-N 3.16Å; S213-Q218 PolarHBondContact O-N 3.03Å |
| 214 | V | 98.4 | Very high | 98.6 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | I210 K216 N217 F220 M269 V271 | I210-V214 HydrophobicContact CG2-CG2 4.48Å; I210-V214 WeakPolarHBondContact O-CG2 3.46Å; I210-V214 PolarHBondContact O-N 3.41Å; V214-K216 PolarHBondContact O-N 3.45Å; V214-N217 PolarHBondContact O-N 3.41Å; V214-F220 HydrophobicContact CG2-CE1 4.15Å; V214-M269 HydrophobicContact CB-CE 3.82Å; V214-M269 HydrophobicContact CG1-CB 4.46Å; V214-M269 HydrophobicContact CG1-CE 3.62Å; V214-M269 HydrophobicContact CG2-CB 4.29Å; V214-V271 HydrophobicContact CG1-CG1 4.13Å; V214-V271 HydrophobicContact CG2-CB 4.48Å; V214-V271 HydrophobicContact CG2-CG1 3.74Å; V214-V271 HydrophobicContact CG2-CG2 4.01Å |
| 215 | K | 98.4 | Very high | 98.6 | Very high | 167 Ų | 167 | 40 Ų | 40 | 73% | 0.726 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.3 | -30.1 | 176.2 | -77.5 | 175.9 | -179.8 | 176.5 | 0 | 113.2 | I211 T212 N217 | I211-K215 HydrophobicContact CG2-CD 4.04Å; I211-K215 WeakPolarHBondContact O-CB 3.33Å; I211-K215 VanDerWaalsContact O-CG 3.3Å; I211-K215 WeakPolarHBondContact O-CG 3.25Å; I211-K215 PolarHBondContact O-N 3.4Å; T212-K215 PolarHBondContact O-N 2.82Å; K215-N217 VanDerWaalsContact C-N 3.31Å |
| 216 | K | 98 | Very high | 98.6 | Very high | 144 Ų | 144 | 38.7 Ų | 38.7 | 63% | 0.626 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -0.9 | 175.8 | -70.5 | -179.5 | 178.7 | -178.1 | 0 | 113.5 | T212 S213 V214 Q218 | T212-K216 HydrophobicContact CG2-CD 4.26Å; T212-K216 WeakPolarHBondContact O-CG 3.5Å; T212-K216 PolarHBondContact O-N 3.02Å; S213-K216 CarbonylContact O-C 3.54Å; S213-K216 PolarHBondContact O-N 3.33Å; V214-K216 PolarHBondContact O-N 3.45Å; K216-Q218 HydrophobicContact CB-CB 4.23Å; K216-Q218 PolarHBondContact O-N 3.04Å |
| 217 | N | 96.8 | Very high | 98.6 | Very high | 148 Ų | 148 | 38.7 Ų | 38.7 | 79% | 0.791 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.1 | -172.6 | -164.4 | 45.1 | 0 | 0 | 0 | 112.3 | S213 V214 K215 | S213-N217 PolarHBondContact O-N 3.02Å; S213-N217 VanDerWaalsContact O-N 3.16Å; V214-N217 PolarHBondContact O-N 3.41Å; K215-N217 VanDerWaalsContact C-N 3.31Å |
| 218 | Q | 97.4 | Very high | 98.6 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.29 | 19% | 0.188 | S | C | . | . | trans | -110.1 | 129.2 | -177 | -167.4 | 177.2 | 10.7 | 0 | 0 | 109.3 | G116 A118 S213 K216 | G116-Q218 VanDerWaalsContact O-CG 3.22Å; G116-Q218 WeakPolarHBondContact O-CG 3.38Å; G116-Q218 PolarHBondContact O-NE2 2.75Å; A118-Q218 HydrophobicContact CB-CG 4.25Å; S213-Q218 PolarHBondContact O-N 3.03Å; K216-Q218 HydrophobicContact CB-CB 4.23Å; K216-Q218 PolarHBondContact O-N 3.04Å | ||
| 219 | P | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 14% | 0.143 | 16% | 0.164 | C | C | . | . | trans | -65.1 | 149.5 | 172.1 | 31.5 | -36.1 | 0 | 0 | 0 | 109.5 | P21 N23 Y117 A118 | P21-P219 HydrophobicContact CB-CB 4.34Å; P21-P219 HydrophobicContact CB-CG 4.49Å; P21-P219 HydrophobicContact CG-CB 3.97Å; P21-P219 HydrophobicContact CG-CG 3.82Å; N23-P219 WeakPolarHBondContact OD1-CA 3.4Å; Y117-P219 CarbonylContact C-O 3.55Å; Y117-P219 VanDerWaalsContact CA-O 3.3Å; Y117-P219 WeakPolarHBondContact CA-O 3.48Å; Y117-P219 HydrophobicContact CD1-CB 3.91Å; Y117-P219 HydrophobicContact CD1-CG 4.24Å; Y117-P219 HydrophobicContact CD2-CB 4.45Å; Y117-P219 HydrophobicContact CD2-CG 4.01Å; Y117-P219 HydrophobicContact CE1-CB 3.67Å; Y117-P219 HydrophobicContact CE1-CG 4.28Å; Y117-P219 HydrophobicContact CE2-CB 4.24Å; Y117-P219 HydrophobicContact CE2-CG 4.06Å; Y117-P219 HydrophobicContact CG-CB 4.29Å; Y117-P219 HydrophobicContact CG-CG 4.11Å; A118-P219 PolarHBondContact N-O 3.22Å | ||
| 220 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.7 | -175.5 | 63.1 | -95.9 | 0 | 0 | 0 | 113.7 | N23 F24 V25 A118 F209 I210 V214 L266 V271 | N23-F220 WeakPolarHBondContact CA-O 3.46Å; N23-F220 HydrophobicContact CB-CD1 4.03Å; N23-F220 HydrophobicContact CB-CD2 4.07Å; N23-F220 HydrophobicContact CB-CE1 3.71Å; N23-F220 HydrophobicContact CB-CE2 3.74Å; N23-F220 HydrophobicContact CB-CG 4.2Å; N23-F220 HydrophobicContact CB-CZ 3.54Å; N23-F220 VanDerWaalsContact OD1-CD1 3.22Å; N23-F220 WeakPolarHBondContact OD1-CD1 3.22Å; N23-F220 WeakPolarHBondContact OD1-CE1 3.44Å; N23-F220 PolarHBondContact OD1-N 2.94Å; N23-F220 VanDerWaalsContact OD1-N 3.17Å; F24-F220 PolarHBondContact N-O 3.24Å; V25-F220 HydrophobicContact CG2-CE2 3.89Å; A118-F220 HydrophobicContact CB-CB 4.27Å; A118-F220 CarbonylContact O-C 3.54Å; A118-F220 VanDerWaalsContact O-CA 3.25Å; A118-F220 WeakPolarHBondContact O-CA 3.33Å; F209-F220 HydrophobicContact CE1-CB 3.8Å; F209-F220 HydrophobicContact CE1-CD2 4.02Å; F209-F220 HydrophobicContact CE1-CG 4.17Å; F209-F220 HydrophobicContact CZ-CB 3.79Å; I210-F220 HydrophobicContact CG1-CE2 4.07Å; I210-F220 HydrophobicContact CG1-CZ 4.22Å; I210-F220 HydrophobicContact CG2-CE1 4.33Å; I210-F220 HydrophobicContact CG2-CZ 4.06Å; V214-F220 HydrophobicContact CG2-CE1 4.15Å; F220-L266 HydrophobicContact CE2-CD2 4.19Å; F220-L266 HydrophobicContact CZ-CD2 3.61Å; F220-V271 HydrophobicContact CE1-CG2 4.49Å |
| 221 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.7 | 167.2 | 170.8 | -130.8 | 0 | 0 | 0 | 109.6 | F24 L26 I108 A109 L112 A118 T119 A120 F142 I341 | F24-F221 HydrophobicContact CB-CB 4.46Å; F24-F221 HydrophobicContact CB-CD2 3.74Å; F24-F221 CarbonylContact O-C 3.59Å; F24-F221 WeakPolarHBondContact O-CA 3.49Å; L26-F221 HydrophobicContact CB-CE2 4.08Å; I108-F221 HydrophobicContact CB-CE1 4.01Å; I108-F221 HydrophobicContact CB-CZ 4.17Å; I108-F221 HydrophobicContact CD1-CZ 4.46Å; I108-F221 HydrophobicContact CG2-CD1 4.15Å; I108-F221 HydrophobicContact CG2-CE1 3.65Å; I108-F221 HydrophobicContact CG2-CE2 4.26Å; I108-F221 HydrophobicContact CG2-CZ 3.71Å; A109-F221 HydrophobicContact CB-CD1 4.33Å; A109-F221 HydrophobicContact CB-CE1 4.35Å; L112-F221 HydrophobicContact CD1-CB 3.56Å; L112-F221 HydrophobicContact CD1-CD1 4.05Å; L112-F221 HydrophobicContact CD1-CG 3.81Å; A118-F221 PolarHBondContact O-N 3.03Å; T119-F221 WeakPolarHBondContact CA-O 3.41Å; T119-F221 HydrophobicContact CG2-CB 4.33Å; T119-F221 HydrophobicContact CG2-CD1 4.4Å; A120-F221 PolarHBondContact N-O 3.27Å; F142-F221 HydrophobicContact CE1-CD1 4.1Å; F142-F221 AromaticContact CE1-CE1 3.71Å; F142-F221 HydrophobicContact CE1-CE1 3.71Å; F142-F221 AromaticContact CZ-CE1 3.96Å; F142-F221 HydrophobicContact CZ-CE1 3.96Å; F221-I341 HydrophobicContact CE2-CD1 4.39Å |
| 222 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.8 | 172.6 | 176.2 | 62.2 | 0 | 0 | 0 | 109.1 | F24 V25 L26 A120 V122 A206 F209 I210 L262 | F24-L222 PolarHBondContact O-N 3.05Å; V25-L222 WeakPolarHBondContact CA-O 3.44Å; V25-L222 HydrophobicContact CG1-CB 4.49Å; V25-L222 HydrophobicContact CG1-CD2 4.14Å; V25-L222 HydrophobicContact CG1-CG 4.49Å; V25-L222 HydrophobicContact CG2-CB 4.26Å; L26-L222 PolarHBondContact N-O 3.07Å; A120-L222 HydrophobicContact CB-CD1 4.23Å; V122-L222 HydrophobicContact CG2-CD1 3.71Å; A206-L222 HydrophobicContact CB-CD1 4.24Å; A206-L222 HydrophobicContact CB-CD2 3.95Å; F209-L222 HydrophobicContact CD1-CB 4.38Å; F209-L222 HydrophobicContact CD1-CD1 4.23Å; F209-L222 HydrophobicContact CE1-CB 4.09Å; I210-L222 HydrophobicContact CD1-CD2 4.13Å; I210-L222 HydrophobicContact CG1-CD2 4.47Å; L222-L262 HydrophobicContact CD2-CD1 4.37Å |
| 223 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.6 | 166.7 | 175.6 | -137.9 | 0 | 0 | 0 | 108.6 | L26 F28 L77 L78 A120 A121 V122 W125 F142 P225 | L26-Y223 HydrophobicContact CB-CD2 4.46Å; L26-Y223 HydrophobicContact CD2-CD2 3.93Å; L26-Y223 HydrophobicContact CD2-CE2 4.28Å; L26-Y223 HydrophobicContact CG-CD2 4.14Å; F28-Y223 HydrophobicContact CB-CE2 3.84Å; F28-Y223 HydrophobicContact CD1-CE2 4.14Å; F28-Y223 HydrophobicContact CG-CE2 4.25Å; L77-Y223 HydrophobicContact CD2-CE2 3.87Å; L78-Y223 HydrophobicContact CD1-CE1 4.19Å; L78-Y223 HydrophobicContact CD2-CD1 4.25Å; L78-Y223 HydrophobicContact CD2-CE1 4.09Å; A120-Y223 PolarHBondContact O-N 2.62Å; A121-Y223 CarbonylContact C-O 3.56Å; A121-Y223 WeakPolarHBondContact CA-O 3.4Å; A121-Y223 HydrophobicContact CB-CD1 4.19Å; V122-Y223 PolarHBondContact N-O 2.79Å; W125-Y223 HydrophobicContact CZ3-CE1 4.49Å; F142-Y223 HydrophobicContact CE1-CD1 4.23Å; F142-Y223 HydrophobicContact CE1-CG 4.47Å; F142-Y223 HydrophobicContact CE2-CD1 4.46Å; F142-Y223 AromaticContact CZ-CD1 3.71Å; F142-Y223 HydrophobicContact CZ-CD1 3.71Å; F142-Y223 HydrophobicContact CZ-CG 4.24Å; Y223-P225 HydrophobicContact CD1-CG 3.97Å; Y223-P225 HydrophobicContact CD2-CG 4.45Å; Y223-P225 HydrophobicContact CE1-CB 4.06Å; Y223-P225 HydrophobicContact CE1-CG 3.57Å; Y223-P225 HydrophobicContact CE2-CB 3.91Å; Y223-P225 HydrophobicContact CE2-CG 4.09Å; Y223-P225 HydrophobicContact CG-CG 4.4Å; Y223-P225 WeakPolarHBondContact O-CD 3.29Å |
| 224 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 76.8 | -179.8 | -164.1 | -81 | 0 | 0 | 0 | 110.2 | L26 F27 F28 V122 E199 Y202 A206 S226 F255 T258 L262 | L26-Y224 PolarHBondContact O-N 3.1Å; F27-Y224 HydrophobicContact CD1-CD1 4Å; F27-Y224 AromaticContact CD1-CG 3.99Å; F27-Y224 HydrophobicContact CD1-CG 3.99Å; F27-Y224 HydrophobicContact CE1-CD1 4.4Å; F27-Y224 HydrophobicContact CE1-CG 4.14Å; F28-Y224 PolarHBondContact N-O 2.81Å; V122-Y224 HydrophobicContact CB-CD2 3.8Å; V122-Y224 HydrophobicContact CB-CE2 4.09Å; V122-Y224 HydrophobicContact CG1-CD2 3.99Å; V122-Y224 HydrophobicContact CG1-CE2 3.73Å; V122-Y224 WeakPolarHBondContact O-CA 3.08Å; E199-Y224 PolarHBondContact OE1-OH 3.41Å; E199-Y224 PolarHBondContact OE2-OH 2.81Å; E199-Y224 VanDerWaalsContact OE2-OH 3.05Å; Y202-Y224 VanDerWaalsContact CB-OH 3.24Å; Y202-Y224 WeakPolarHBondContact CB-OH 3.21Å; A206-Y224 HydrophobicContact CB-CD2 4.38Å; A206-Y224 HydrophobicContact CB-CE2 4.4Å; Y224-S226 PolarHBondContact O-N 2.89Å; Y224-S226 VanDerWaalsContact O-N 3.17Å; Y224-F255 AromaticContact CD1-CE2 3.71Å; Y224-F255 HydrophobicContact CD1-CE2 3.71Å; Y224-F255 HydrophobicContact CD1-CZ 4.42Å; Y224-F255 HydrophobicContact CE1-CD2 4.11Å; Y224-F255 AromaticContact CE1-CE2 3.67Å; Y224-F255 HydrophobicContact CE1-CE2 3.67Å; Y224-T258 HydrophobicContact CE1-CG2 4.44Å; Y224-T258 HydrophobicContact CE2-CG2 4.34Å; Y224-T258 WeakPolarHBondContact OH-CG2 3.48Å; Y224-L262 HydrophobicContact CD2-CD1 4.07Å; Y224-L262 HydrophobicContact CE2-CD1 4.19Å |
| 225 | P | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 93.7 | 170.1 | 29.7 | -34.4 | 0 | 0 | 0 | 111 | F28 R74 V122 G123 K124 Y223 | F28-P225 CarbonylContact O-C 3.42Å; F28-P225 VanDerWaalsContact O-CA 3.31Å; F28-P225 WeakPolarHBondContact O-CA 3.45Å; R74-P225 VanDerWaalsContact NH1-CB 3.33Å; V122-P225 WeakPolarHBondContact O-CD 3.29Å; G123-P225 CarbonylContact C-O 3.54Å; G123-P225 VanDerWaalsContact CA-O 3.28Å; G123-P225 WeakPolarHBondContact CA-O 3.17Å; K124-P225 PolarHBondContact N-O 3.19Å; K124-P225 WeakPolarHBondContact O-CB 3.35Å; K124-P225 WeakPolarHBondContact O-CG 3.31Å; Y223-P225 HydrophobicContact CD1-CG 3.97Å; Y223-P225 HydrophobicContact CD2-CG 4.45Å; Y223-P225 HydrophobicContact CE1-CB 4.06Å; Y223-P225 HydrophobicContact CE1-CG 3.57Å; Y223-P225 HydrophobicContact CE2-CB 3.91Å; Y223-P225 HydrophobicContact CE2-CG 4.09Å; Y223-P225 HydrophobicContact CG-CG 4.4Å; Y223-P225 WeakPolarHBondContact O-CD 3.29Å |
| 226 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -64.2 | 158.5 | 177.5 | -166 | 0 | 0 | 0 | 0 | 111.5 | F28 Y224 H228 | F28-S226 PolarHBondContact O-N 2.99Å; Y224-S226 PolarHBondContact O-N 2.89Å; Y224-S226 VanDerWaalsContact O-N 3.17Å; S226-H228 VanDerWaalsContact C-N 3.33Å; S226-H228 WeakPolarHBondContact OG-CB 3.49Å; S226-H228 PolarHBondContact OG-N 3.03Å | ||
| 227 | H | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -84.3 | -18.8 | 163.7 | -56.9 | 80.8 | 0 | 0 | 0 | 110.9 | K124 I148 H152 Y202 T229 H230 Y234 | K124-H227 PolarHBondContact N-CE1 2.99Å; I148-H227 WeakPolarHBondContact CB-NE2 3.41Å; I148-H227 WeakPolarHBondContact CD1-NE2 3.28Å; H152-H227 AromaticContact ND1-CD2 3.8Å; Y202-H227 AromaticContact CE2-CE1 3.53Å; Y202-H227 AromaticContact CE2-ND1 3.49Å; Y202-H227 WeakPolarHBondContact CE2-ND1 3.43Å; Y202-H227 AromaticContact CZ-CE1 3.69Å; Y202-H227 PolarHBondContact OH-CE1 2.81Å; H227-T229 PolarHBondContact O-N 3.1Å; H227-H230 WeakPolarHBondContact O-CB 3.36Å; H227-H230 PolarHBondContact O-N 2.91Å; H227-Y234 HydrophobicContact CB-CE1 4Å; H227-Y234 WeakPolarHBondContact CB-OH 3.07Å | ||
| 228 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 127 | 174.4 | -66.3 | -39.9 | 0 | 0 | 0 | 108.4 | D30 S226 Y234 A251 E254 F255 | D30-H228 PolarHBondContact N-O 3.32Å; S226-H228 VanDerWaalsContact C-N 3.33Å; S226-H228 WeakPolarHBondContact OG-CB 3.49Å; S226-H228 PolarHBondContact OG-N 3.03Å; H228-Y234 AromaticContact CE1-CD2 3.71Å; H228-Y234 AromaticContact CE1-CE1 3.8Å; H228-Y234 AromaticContact CE1-CE2 3.39Å; H228-Y234 WeakPolarHBondContact CE1-CE2 3.42Å; H228-Y234 AromaticContact CE1-CZ 3.43Å; H228-Y234 VanDerWaalsContact CE1-CZ 3.43Å; H228-Y234 PolarHBondContact CE1-O 3.36Å; H228-Y234 AromaticContact NE2-CE2 3.74Å; H228-Y234 AromaticContact NE2-CZ 3.94Å; H228-A251 PolarHBondContact CD2-O 2.97Å; H228-E254 IonicContact CD2-OE2 3.76Å; H228-E254 IonicContact CE1-OE2 2.71Å; H228-E254 IonicContact NE2-OE2 3.07Å; H228-E254 PolarHBondContact NE2-OE2 3.47Å; H228-F255 HydrophobicContact CB-CB 3.69Å; H228-F255 HydrophobicContact CB-CD1 4.25Å; H228-F255 HydrophobicContact CB-CG 4.11Å |
| 229 | T | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -116.9 | 36.5 | 14.9 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | D30 L32 H227 Q233 F248 L252 | D30-T229 CarbonylContact O-C 3.52Å; D30-T229 WeakPolarHBondContact O-CA 3.37Å; D30-T229 PolarHBondContact O-N 2.8Å; D30-T229 PolarHBondContact O-OG1 3.4Å; L32-T229 HydrophobicContact CD1-CG2 4.15Å; H227-T229 PolarHBondContact O-N 3.1Å; T229-Q233 PolarHBondContact O-NE2 2.7Å; T229-Q233 PolarHBondContact O-OE1 3.45Å; T229-F248 HydrophobicContact CG2-CE1 4.39Å; T229-F248 HydrophobicContact CG2-CE2 4.12Å; T229-F248 HydrophobicContact CG2-CZ 3.93Å; T229-F248 VanDerWaalsContact OG1-CE2 3.24Å; T229-F248 WeakPolarHBondContact OG1-CE2 3.32Å; T229-F248 VanDerWaalsContact OG1-CZ 3.3Å; T229-F248 WeakPolarHBondContact OG1-CZ 3.49Å; T229-L252 HydrophobicContact CG2-CB 3.81Å; T229-L252 HydrophobicContact CG2-CD1 4.04Å; T229-L252 HydrophobicContact CG2-CG 4.49Å |
| 230 | H | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -70 | 152.8 | -178.3 | -165.9 | -76.5 | 0 | 0 | 0 | 112.1 | D30 D31 H152 D153 H227 P232 K303 | D30-H230 HydrophobicContact CB-CB 3.92Å; D30-H230 VanDerWaalsContact CG-CB 3.5Å; D30-H230 PolarHBondContact O-N 3.16Å; D30-H230 IonicContact OD1-CD2 3.45Å; D30-H230 WeakPolarHBondContact OD2-CB 3.37Å; D30-H230 IonicContact OD2-CD2 2.71Å; D30-H230 PolarHBondContact OD2-CD2 3.01Å; D30-H230 IonicContact OD2-CG 2.67Å; D31-H230 IonicContact OD1-CD2 3.82Å; D31-H230 IonicContact OD2-CD2 2.81Å; D31-H230 PolarHBondContact OD2-CD2 3.14Å; D31-H230 IonicContact OD2-CG 3.49Å; D31-H230 IonicContact OD2-NE2 3.63Å; D31-H230 PolarHBondContact OD2-NE2 2.85Å; H152-H230 PolarHBondContact CE1-O 3.24Å; H152-H230 VanDerWaalsContact CE1-O 3.31Å; D153-H230 IonicContact OD1-CE1 2.7Å; D153-H230 PolarHBondContact OD1-CE1 3.24Å; D153-H230 IonicContact OD1-ND1 3.58Å; D153-H230 IonicContact OD2-CE1 2.81Å; D153-H230 PolarHBondContact OD2-CE1 3.3Å; H227-H230 WeakPolarHBondContact O-CB 3.36Å; H227-H230 PolarHBondContact O-N 2.91Å; H230-P232 CarbonylContact O-C 3.48Å; H230-K303 PolarHBondContact NE2-NZ 3.46Å |
| 231 | Y | 98.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 6% | 0.059 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.3 | 149.7 | 174 | 168 | -92.3 | 0 | 0 | 0 | 112.3 | H152 D153 F170 G171 L172 | H152-Y231 PolarHBondContact CE1-O 3.15Å; H152-Y231 PolarHBondContact NE2-O 3.26Å; D153-Y231 HydrophobicContact CB-CD1 3.86Å; D153-Y231 HydrophobicContact CB-CE1 4.11Å; D153-Y231 WeakPolarHBondContact CB-O 3.42Å; F170-Y231 WeakPolarHBondContact O-CE2 3.2Å; F170-Y231 PolarHBondContact O-OH 3.49Å; F170-Y231 VanDerWaalsContact O-OH 3.13Å; G171-Y231 VanDerWaalsContact C-OH 3.29Å; G171-Y231 WeakPolarHBondContact CA-OH 3.5Å; L172-Y231 PolarHBondContact N-OH 2.76Å; L172-Y231 WeakPolarHBondContact O-CE1 3.19Å; L172-Y231 PolarHBondContact O-OH 2.94Å |
| 232 | P | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | S | Bend | cis | -67.1 | 142.7 | -18.4 | 31.4 | -37.4 | 0 | 0 | 0 | 110.6 | H152 C169 H230 Y234 | H152-P232 PolarHBondContact NE2-O 3.08Å; C169-P232 HydrophobicContact CB-CB 4.09Å; C169-P232 HydrophobicContact CB-CG 4.14Å; H230-P232 CarbonylContact O-C 3.48Å; P232-Y234 PolarHBondContact O-N 2.81Å |
| 233 | Q | 98.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 136 | 172.5 | -53.3 | -54.1 | -32.1 | 0 | 0 | 109.3 | C162 F163 T229 P247 F248 A251 R292 | C162-Q233 WeakPolarHBondContact CB-O 3.18Å; C162-Q233 PolarHBondContact SG-O 2.7Å; F163-Q233 HydrophobicContact CE2-CB 4.39Å; F163-Q233 WeakPolarHBondContact CE2-O 3.39Å; F163-Q233 HydrophobicContact CZ-CB 3.9Å; F163-Q233 WeakPolarHBondContact CZ-O 3.28Å; T229-Q233 PolarHBondContact O-NE2 2.7Å; T229-Q233 PolarHBondContact O-OE1 3.45Å; Q233-P247 HydrophobicContact CB-CB 4.07Å; Q233-P247 HydrophobicContact CG-CB 4.45Å; Q233-F248 HydrophobicContact CG-CB 4.36Å; Q233-A251 HydrophobicContact CB-CB 4.42Å; Q233-R292 HydrophobicContact CG-CB 4.44Å; Q233-R292 WeakPolarHBondContact CG-O 3.43Å; Q233-R292 PolarHBondContact NE2-O 3.08Å |
| 234 | Y | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -139 | 157.8 | 172.4 | 70.2 | -91.3 | 0 | 0 | 0 | 109.7 | H152 C162 F195 L198 H227 H228 P232 A251 | H152-Y234 AromaticContact CD2-CE1 3.99Å; H152-Y234 AromaticContact NE2-CD1 3.72Å; H152-Y234 AromaticContact NE2-CE1 3.78Å; C162-Y234 CarbonylContact O-C 3.45Å; C162-Y234 WeakPolarHBondContact O-CA 3.31Å; C162-Y234 VanDerWaalsContact O-CB 3.25Å; C162-Y234 WeakPolarHBondContact O-CB 3.28Å; F195-Y234 HydrophobicContact CB-CD1 4.45Å; F195-Y234 HydrophobicContact CB-CD2 3.75Å; F195-Y234 HydrophobicContact CB-CE2 4.38Å; F195-Y234 HydrophobicContact CB-CG 3.79Å; F195-Y234 HydrophobicContact CD1-CD1 4.26Å; F195-Y234 HydrophobicContact CD1-CE1 4.34Å; F195-Y234 HydrophobicContact CD1-CG 4.41Å; F195-Y234 HydrophobicContact CG-CD1 4.25Å; F195-Y234 HydrophobicContact CG-CD2 4.39Å; F195-Y234 HydrophobicContact CG-CG 4.06Å; F195-Y234 WeakPolarHBondContact O-CD2 3.37Å; L198-Y234 HydrophobicContact CB-CE2 4.4Å; L198-Y234 HydrophobicContact CD2-CE2 4.44Å; H227-Y234 HydrophobicContact CB-CE1 4Å; H227-Y234 WeakPolarHBondContact CB-OH 3.07Å; H228-Y234 AromaticContact CE1-CD2 3.71Å; H228-Y234 AromaticContact CE1-CE1 3.8Å; H228-Y234 AromaticContact CE1-CE2 3.39Å; H228-Y234 WeakPolarHBondContact CE1-CE2 3.42Å; H228-Y234 AromaticContact CE1-CZ 3.43Å; H228-Y234 VanDerWaalsContact CE1-CZ 3.43Å; H228-Y234 PolarHBondContact CE1-O 3.36Å; H228-Y234 AromaticContact NE2-CE2 3.74Å; H228-Y234 AromaticContact NE2-CZ 3.94Å; P232-Y234 PolarHBondContact O-N 2.81Å; Y234-A251 WeakPolarHBondContact O-CB 3.4Å | ||
| 235 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -159.5 | 145.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | C162 F163 P164 A239 A240 D250 | C162-A235 PolarHBondContact O-N 2.93Å; F163-A235 HydrophobicContact CD1-CB 3.84Å; F163-A235 HydrophobicContact CE1-CB 3.65Å; P164-A235 WeakPolarHBondContact CD-O 3.27Å; A235-A239 HydrophobicContact CB-CB 4.14Å; A235-A240 HydrophobicContact CB-CB 4.4Å; A235-D250 HydrophobicContact CB-CB 4Å | ||
| 236 | G | 96.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | trans | -76.8 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R238 A239 A240 E254 | G236-R238 PolarHBondContact O-N 2.97Å; G236-A239 PolarHBondContact O-N 3.15Å; G236-A240 PolarHBondContact O-N 2.82Å; G236-E254 VanDerWaalsContact CA-OE1 3.3Å; G236-E254 WeakPolarHBondContact CA-OE1 3.43Å; G236-E254 PolarHBondContact N-OE1 3.3Å | ||
| 237 | T | 92.9 | Very high | 97.5 | Very high | 111 Ų | 111 | 37.8 Ų | 37.8 | 68% | 0.681 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.1 | -171.4 | -46.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 238 | R | 92.4 | Very high | 97.5 | Very high | 170 Ų | 170 | 37.8 Ų | 37.8 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -14.5 | 179.6 | -68.4 | -173.3 | -70.4 | 169 | -0.8 | 113.7 | G236 | G236-R238 PolarHBondContact O-N 2.97Š|
| 239 | A | 96.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -32.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A235 G236 G241 H242 F253 E254 | A235-A239 HydrophobicContact CB-CB 4.14Å; G236-A239 PolarHBondContact O-N 3.15Å; A239-G241 PolarHBondContact O-N 2.92Å; A239-H242 WeakPolarHBondContact O-CB 3.45Å; A239-H242 PolarHBondContact O-N 3.25Å; A239-F253 HydrophobicContact CB-CD1 3.95Å; A239-E254 HydrophobicContact CB-CB 3.57Å; A239-E254 HydrophobicContact CB-CG 3.89Å |
| 240 | A | 97.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F163 P164 A235 G236 H242 | F163-A240 HydrophobicContact CB-CB 4.47Å; F163-A240 HydrophobicContact CD1-CB 4Å; P164-A240 HydrophobicContact CG-CB 3.91Å; A235-A240 HydrophobicContact CB-CB 4.4Å; G236-A240 PolarHBondContact O-N 2.82Å; A240-H242 VanDerWaalsContact C-N 3.33Å; A240-H242 PolarHBondContact O-CD2 3.35Å |
| 241 | G | 97.1 | Very high | 97.5 | Very high | 71 Ų | 71 | 38 Ų | 38 | 73% | 0.732 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A239 D250 | A239-G241 PolarHBondContact O-N 2.92Å; G241-D250 VanDerWaalsContact N-CG 3.26Å; G241-D250 PolarHBondContact N-OD1 2.69Å; G241-D250 PolarHBondContact N-OD2 2.67Å |
| 242 | H | 96.4 | Very high | 97.5 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | trans | -93.8 | -25.7 | -179.3 | -76.7 | -93.4 | 0 | 0 | 0 | 113.5 | A239 A240 D250 F253 | A239-H242 WeakPolarHBondContact O-CB 3.45Å; A239-H242 PolarHBondContact O-N 3.25Å; A240-H242 VanDerWaalsContact C-N 3.33Å; A240-H242 PolarHBondContact O-CD2 3.35Å; H242-D250 PolarHBondContact N-OD1 3.1Å; H242-F253 HydrophobicContact CB-CD1 3.99Å; H242-F253 HydrophobicContact CB-CE1 3.91Å | ||
| 243 | S | 97.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | trans | -90.8 | 135 | -176.8 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | R245 G246 G249 D250 | S243-R245 PolarHBondContact O-N 2.89Å; S243-R245 VanDerWaalsContact O-N 3.13Å; S243-R245 PolarHBondContact OG-N 3.42Å; S243-G246 PolarHBondContact O-N 2.99Å; S243-G249 WeakPolarHBondContact CB-O 3.38Å; S243-G249 VanDerWaalsContact OG-CA 3.25Å; S243-G249 WeakPolarHBondContact OG-CA 3.38Å; S243-G249 PolarHBondContact OG-O 3.42Å; S243-D250 VanDerWaalsContact CB-OD1 3.26Å; S243-D250 WeakPolarHBondContact CB-OD1 3.46Å; S243-D250 PolarHBondContact N-OD1 3.03Å | ||
| 244 | L | 97.9 | Very high | 97.6 | Very high | 162 Ų | 162 | 39.3 Ų | 39.3 | 85% | 0.848 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.4 | 171.5 | -63.3 | 179.9 | 0 | 0 | 0 | 112.6 | G246 | L244-G246 VanDerWaalsContact C-N 3.31Š|
| 245 | R | 98.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 14.3 | -179.5 | -160.5 | -171.1 | 172.1 | 175.3 | -7.5 | 112.9 | D36 H42 S45 S243 F248 G249 | D36-R245 IonicContact OD1-CZ 2.99Å; D36-R245 IonicContact OD1-NH1 3.57Å; D36-R245 PolarHBondContact OD1-NH1 3.41Å; D36-R245 IonicContact OD1-NH2 2.86Å; D36-R245 PolarHBondContact OD1-NH2 2.87Å; H42-R245 PolarHBondContact CD2-NH1 3.06Å; H42-R245 VanDerWaalsContact CD2-NH1 3.3Å; H42-R245 WeakPolarHBondContact CE1-CD 3.35Å; H42-R245 VanDerWaalsContact CE1-CZ 3.49Å; H42-R245 PolarHBondContact CE1-NE 3.4Å; H42-R245 VanDerWaalsContact CE1-NE 3.28Å; H42-R245 PolarHBondContact NE2-NE 2.92Å; H42-R245 PolarHBondContact NE2-NH1 2.72Å; S45-R245 PolarHBondContact OG-NH1 3.43Å; S243-R245 PolarHBondContact O-N 2.89Å; S243-R245 VanDerWaalsContact O-N 3.13Å; S243-R245 PolarHBondContact OG-N 3.42Å; R245-F248 VanDerWaalsContact CZ-CE1 3.47Å; R245-G249 PolarHBondContact O-N 2.91Å |
| 246 | G | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | 62.9 | -151.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S243 L244 F248 G249 D250 | S243-G246 PolarHBondContact O-N 2.99Å; L244-G246 VanDerWaalsContact C-N 3.31Å; G246-F248 PolarHBondContact O-N 3.13Å; G246-G249 CarbonylContact O-C 3.52Å; G246-G249 VanDerWaalsContact O-CA 3.3Å; G246-G249 WeakPolarHBondContact O-CA 3.17Å; G246-G249 PolarHBondContact O-N 2.87Å; G246-D250 PolarHBondContact O-N 2.86Å |
| 247 | P | 98.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.9 | -40.8 | -170.8 | -31.1 | 37.6 | 0 | 0 | 0 | 115.6 | F163 F170 Q233 G249 D250 A251 | F163-P247 HydrophobicContact CE2-CB 4.07Å; F163-P247 HydrophobicContact CZ-CB 3.69Å; F170-P247 HydrophobicContact CE2-CB 4.46Å; F170-P247 HydrophobicContact CE2-CG 4.13Å; F170-P247 HydrophobicContact CZ-CG 4.49Å; Q233-P247 HydrophobicContact CB-CB 4.07Å; Q233-P247 HydrophobicContact CG-CB 4.45Å; P247-G249 VanDerWaalsContact C-N 3.34Å; P247-D250 PolarHBondContact O-N 3.33Å; P247-A251 PolarHBondContact O-N 3.41Å |
| 248 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.5 | -179.3 | -84.2 | 0 | 0 | 0 | 111.1 | L32 D36 T229 Q233 R245 G246 D250 A251 L252 G293 G294 | L32-F248 HydrophobicContact CD1-CZ 4.12Å; D36-F248 HydrophobicContact CB-CE1 4.47Å; T229-F248 HydrophobicContact CG2-CE1 4.39Å; T229-F248 HydrophobicContact CG2-CE2 4.12Å; T229-F248 HydrophobicContact CG2-CZ 3.93Å; T229-F248 VanDerWaalsContact OG1-CE2 3.24Å; T229-F248 WeakPolarHBondContact OG1-CE2 3.32Å; T229-F248 VanDerWaalsContact OG1-CZ 3.3Å; T229-F248 WeakPolarHBondContact OG1-CZ 3.49Å; Q233-F248 HydrophobicContact CG-CB 4.36Å; R245-F248 VanDerWaalsContact CZ-CE1 3.47Å; G246-F248 PolarHBondContact O-N 3.13Å; F248-D250 VanDerWaalsContact C-N 3.34Å; F248-D250 PolarHBondContact O-N 2.91Å; F248-A251 PolarHBondContact O-N 2.77Å; F248-L252 HydrophobicContact CE1-CD2 4.16Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 PolarHBondContact O-N 3Å; F248-G293 WeakPolarHBondContact CD2-O 3.48Å; F248-G293 VanDerWaalsContact CE2-C 3.44Å; F248-G294 VanDerWaalsContact CE2-CA 3.41Å |
| 249 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S243 R245 G246 P247 F253 | S243-G249 WeakPolarHBondContact CB-O 3.38Å; S243-G249 VanDerWaalsContact OG-CA 3.25Å; S243-G249 WeakPolarHBondContact OG-CA 3.38Å; S243-G249 PolarHBondContact OG-O 3.42Å; R245-G249 PolarHBondContact O-N 2.91Å; G246-G249 CarbonylContact O-C 3.52Å; G246-G249 VanDerWaalsContact O-CA 3.3Å; G246-G249 WeakPolarHBondContact O-CA 3.17Å; G246-G249 PolarHBondContact O-N 2.87Å; P247-G249 VanDerWaalsContact C-N 3.34Å; G249-F253 VanDerWaalsContact O-CB 3.24Å; G249-F253 WeakPolarHBondContact O-CB 3.49Å; G249-F253 PolarHBondContact O-N 3.38Å |
| 250 | D | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -42.7 | 178.4 | -69.1 | -21.4 | 0 | 0 | 0 | 111.1 | F163 A235 G241 H242 S243 G246 P247 F248 F253 E254 | F163-D250 HydrophobicContact CE1-CB 4.02Å; A235-D250 HydrophobicContact CB-CB 4Å; G241-D250 VanDerWaalsContact N-CG 3.26Å; G241-D250 PolarHBondContact N-OD1 2.69Å; G241-D250 PolarHBondContact N-OD2 2.67Å; H242-D250 PolarHBondContact N-OD1 3.1Å; S243-D250 VanDerWaalsContact CB-OD1 3.26Å; S243-D250 WeakPolarHBondContact CB-OD1 3.46Å; S243-D250 PolarHBondContact N-OD1 3.03Å; G246-D250 PolarHBondContact O-N 2.86Å; P247-D250 PolarHBondContact O-N 3.33Å; F248-D250 VanDerWaalsContact C-N 3.34Å; F248-D250 PolarHBondContact O-N 2.91Å; D250-F253 PolarHBondContact O-N 3.49Å; D250-E254 PolarHBondContact O-N 3.28Å |
| 251 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H228 Q233 Y234 P247 F248 F253 E254 F255 | H228-A251 PolarHBondContact CD2-O 2.97Å; Q233-A251 HydrophobicContact CB-CB 4.42Å; Y234-A251 WeakPolarHBondContact O-CB 3.4Å; P247-A251 PolarHBondContact O-N 3.41Å; F248-A251 PolarHBondContact O-N 2.77Å; A251-F253 PolarHBondContact O-N 2.94Å; A251-E254 PolarHBondContact O-N 2.89Å; A251-F255 PolarHBondContact O-N 2.95Å; A251-F255 VanDerWaalsContact O-N 3.1Å |
| 252 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.7 | -179.8 | 56.3 | 0 | 0 | 0 | 112 | L32 L37 T47 T229 F248 E254 F255 D256 | L32-L252 HydrophobicContact CD1-CD1 3.79Å; L32-L252 HydrophobicContact CD1-CD2 4.43Å; L37-L252 HydrophobicContact CD2-CD1 4.3Å; T47-L252 HydrophobicContact CG2-CD1 3.97Å; T47-L252 HydrophobicContact CG2-CD2 3.69Å; T47-L252 HydrophobicContact CG2-CG 3.62Å; T229-L252 HydrophobicContact CG2-CB 3.81Å; T229-L252 HydrophobicContact CG2-CD1 4.04Å; T229-L252 HydrophobicContact CG2-CG 4.49Å; F248-L252 HydrophobicContact CE1-CD2 4.16Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 PolarHBondContact O-N 3Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-F255 PolarHBondContact O-N 2.88Å; L252-D256 WeakPolarHBondContact O-CB 3.25Å; L252-D256 PolarHBondContact O-N 3.18Å |
| 253 | F | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 21.1 Ų | 21.1 | 13% | 0.132 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 178.4 | 177 | -122.7 | 0 | 0 | 0 | 112.4 | L46 A239 H242 G249 D250 A251 S257 | L46-F253 HydrophobicContact CB-CB 4.48Å; L46-F253 HydrophobicContact CB-CD2 4.11Å; L46-F253 HydrophobicContact CB-CG 4.45Å; L46-F253 HydrophobicContact CD2-CD1 4.16Å; L46-F253 HydrophobicContact CD2-CD2 3.51Å; L46-F253 HydrophobicContact CD2-CE1 4.2Å; L46-F253 HydrophobicContact CD2-CE2 3.54Å; L46-F253 HydrophobicContact CD2-CG 3.83Å; L46-F253 HydrophobicContact CD2-CZ 3.9Å; L46-F253 HydrophobicContact CG-CD2 3.54Å; L46-F253 HydrophobicContact CG-CE2 3.78Å; L46-F253 HydrophobicContact CG-CG 4.19Å; L46-F253 WeakPolarHBondContact O-CD2 3.37Å; A239-F253 HydrophobicContact CB-CD1 3.95Å; H242-F253 HydrophobicContact CB-CD1 3.99Å; H242-F253 HydrophobicContact CB-CE1 3.91Å; G249-F253 VanDerWaalsContact O-CB 3.24Å; G249-F253 WeakPolarHBondContact O-CB 3.49Å; G249-F253 PolarHBondContact O-N 3.38Å; D250-F253 PolarHBondContact O-N 3.49Å; A251-F253 PolarHBondContact O-N 2.94Å; F253-S257 WeakPolarHBondContact O-CB 3.3Å; F253-S257 PolarHBondContact O-N 2.76Å; F253-S257 PolarHBondContact O-OG 3.43Å |
| 254 | E | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.8 | -160.9 | 178.6 | -132.7 | 0 | 0 | 111.1 | E199 H228 G236 A239 D250 A251 L252 S257 T258 | E199-E254 HydrophobicContact CB-CG 4.3Å; E199-E254 WeakPolarHBondContact CB-OE2 3.14Å; E199-E254 HydrophobicContact CG-CG 3.88Å; H228-E254 IonicContact CD2-OE2 3.76Å; H228-E254 IonicContact CE1-OE2 2.71Å; H228-E254 IonicContact NE2-OE2 3.07Å; H228-E254 PolarHBondContact NE2-OE2 3.47Å; G236-E254 VanDerWaalsContact CA-OE1 3.3Å; G236-E254 WeakPolarHBondContact CA-OE1 3.43Å; G236-E254 PolarHBondContact N-OE1 3.3Å; A239-E254 HydrophobicContact CB-CB 3.57Å; A239-E254 HydrophobicContact CB-CG 3.89Å; D250-E254 PolarHBondContact O-N 3.28Å; A251-E254 PolarHBondContact O-N 2.89Å; L252-E254 VanDerWaalsContact C-N 3.34Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 3.08Å; E254-T258 PolarHBondContact O-N 3.21Å; E254-T258 PolarHBondContact O-OG1 3.42Å |
| 255 | F | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.5 | -174.2 | -152.2 | 0 | 0 | 0 | 112.4 | F27 A29 Y224 H228 A251 L252 S257 T258 I259 F279 | F27-F255 HydrophobicContact CB-CZ 4.26Å; F27-F255 HydrophobicContact CD1-CE2 4.31Å; A29-F255 HydrophobicContact CB-CE1 3.85Å; Y224-F255 AromaticContact CD1-CE2 3.71Å; Y224-F255 HydrophobicContact CD1-CE2 3.71Å; Y224-F255 HydrophobicContact CD1-CZ 4.42Å; Y224-F255 HydrophobicContact CE1-CD2 4.11Å; Y224-F255 AromaticContact CE1-CE2 3.67Å; Y224-F255 HydrophobicContact CE1-CE2 3.67Å; H228-F255 HydrophobicContact CB-CB 3.69Å; H228-F255 HydrophobicContact CB-CD1 4.25Å; H228-F255 HydrophobicContact CB-CG 4.11Å; A251-F255 PolarHBondContact O-N 2.95Å; A251-F255 VanDerWaalsContact O-N 3.1Å; L252-F255 PolarHBondContact O-N 2.88Å; F255-S257 VanDerWaalsContact C-N 3.26Å; F255-S257 PolarHBondContact O-N 2.94Å; F255-T258 PolarHBondContact O-N 2.84Å; F255-T258 VanDerWaalsContact O-N 3.15Å; F255-I259 HydrophobicContact CD2-CD1 4.19Å; F255-I259 HydrophobicContact CD2-CG1 4.14Å; F255-I259 HydrophobicContact CE1-CD1 4.22Å; F255-I259 HydrophobicContact CE2-CD1 3.83Å; F255-I259 HydrophobicContact CE2-CG1 3.85Å; F255-I259 HydrophobicContact CZ-CD1 3.86Å; F255-I259 HydrophobicContact CZ-CG1 4.36Å; F255-I259 WeakPolarHBondContact O-CG1 3.2Å; F255-I259 PolarHBondContact O-N 2.96Å; F255-F279 AromaticContact CE1-CE2 3.73Å; F255-F279 HydrophobicContact CE1-CE2 3.73Å; F255-F279 HydrophobicContact CZ-CE2 4.19Å |
| 256 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 174.4 | -179.1 | 87.4 | 0 | 0 | 0 | 111.6 | T47 P48 N49 L50 L252 I259 G260 | T47-D256 VanDerWaalsContact C-CG 3.5Å; T47-D256 VanDerWaalsContact CA-CG 3.48Å; T47-D256 VanDerWaalsContact CA-OD1 3.27Å; T47-D256 WeakPolarHBondContact CA-OD1 3.44Å; T47-D256 HydrophobicContact CG2-CB 4.48Å; P48-D256 WeakPolarHBondContact CD-OD2 3.26Å; P48-D256 WeakPolarHBondContact CG-OD2 3.46Å; N49-D256 WeakPolarHBondContact CB-O 3.37Å; N49-D256 WeakPolarHBondContact CB-OD2 3.34Å; N49-D256 PolarHBondContact N-OD1 2.57Å; N49-D256 VanDerWaalsContact N-OD1 3.1Å; N49-D256 PolarHBondContact N-OD2 2.88Å; N49-D256 PolarHBondContact ND2-O 2.85Å; N49-D256 PolarHBondContact ND2-OD2 3.04Å; L50-D256 WeakPolarHBondContact CB-OD1 3.25Å; L50-D256 HydrophobicContact CD1-CB 4.48Å; L50-D256 WeakPolarHBondContact CG-OD1 3.48Å; L50-D256 PolarHBondContact N-OD1 3.15Å; L252-D256 WeakPolarHBondContact O-CB 3.25Å; L252-D256 PolarHBondContact O-N 3.18Å; D256-I259 WeakPolarHBondContact O-CB 3.49Å; D256-I259 PolarHBondContact O-N 3.3Å; D256-G260 PolarHBondContact O-N 3.26Å |
| 257 | S | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 16.2 Ų | 16.2 | 25% | 0.245 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | F253 E254 F255 G260 N261 | F253-S257 WeakPolarHBondContact O-CB 3.3Å; F253-S257 PolarHBondContact O-N 2.76Å; F253-S257 PolarHBondContact O-OG 3.43Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 3.08Å; F255-S257 VanDerWaalsContact C-N 3.26Å; F255-S257 PolarHBondContact O-N 2.94Å; S257-G260 PolarHBondContact O-N 2.72Å; S257-N261 VanDerWaalsContact O-CG 3.29Å; S257-N261 PolarHBondContact O-N 2.82Å; S257-N261 PolarHBondContact O-ND2 3.39Å |
| 258 | T | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 174 | -63.6 | 0 | 0 | 0 | 0 | 112 | E199 Y224 E254 F255 G260 N261 L262 | E199-T258 VanDerWaalsContact CG-OG1 3.29Å; E199-T258 WeakPolarHBondContact CG-OG1 3.28Å; E199-T258 WeakPolarHBondContact OE1-CB 3.48Å; E199-T258 VanDerWaalsContact OE1-CG2 3.26Å; E199-T258 WeakPolarHBondContact OE1-CG2 3.44Å; E199-T258 PolarHBondContact OE1-OG1 2.92Å; Y224-T258 HydrophobicContact CE1-CG2 4.44Å; Y224-T258 HydrophobicContact CE2-CG2 4.34Å; Y224-T258 WeakPolarHBondContact OH-CG2 3.48Å; E254-T258 PolarHBondContact O-N 3.21Å; E254-T258 PolarHBondContact O-OG1 3.42Å; F255-T258 PolarHBondContact O-N 2.84Å; F255-T258 VanDerWaalsContact O-N 3.15Å; T258-G260 VanDerWaalsContact C-N 3.29Å; T258-G260 PolarHBondContact O-N 3.17Å; T258-N261 WeakPolarHBondContact O-CB 3.37Å; T258-N261 PolarHBondContact O-N 3.42Å; T258-N261 VanDerWaalsContact O-N 3.15Å; T258-L262 HydrophobicContact CG2-CD1 4.18Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CG 2.8Å; T258-L262 PolarHBondContact O-N 3.4Å |
| 259 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 173 | -68.4 | 175.1 | 0 | 0 | 0 | 109.6 | F27 L50 L53 F255 D256 N261 L262 I263 F279 | F27-I259 HydrophobicContact CB-CD1 4.35Å; F27-I259 HydrophobicContact CD1-CD1 4.35Å; F27-I259 HydrophobicContact CD1-CG1 3.84Å; F27-I259 HydrophobicContact CD2-CD1 4.44Å; F27-I259 HydrophobicContact CD2-CG1 4.25Å; F27-I259 HydrophobicContact CD2-CG2 4.37Å; F27-I259 HydrophobicContact CE1-CG1 3.95Å; F27-I259 HydrophobicContact CE2-CG1 4.32Å; F27-I259 HydrophobicContact CE2-CG2 4.04Å; F27-I259 HydrophobicContact CG-CD1 4.13Å; F27-I259 HydrophobicContact CG-CG1 4.01Å; F27-I259 HydrophobicContact CZ-CG1 4.17Å; F27-I259 HydrophobicContact CZ-CG2 4.35Å; L50-I259 HydrophobicContact CD1-CD1 4.15Å; L50-I259 HydrophobicContact CD2-CD1 3.66Å; L50-I259 HydrophobicContact CG-CD1 3.97Å; L53-I259 HydrophobicContact CD1-CG2 3.66Å; F255-I259 HydrophobicContact CD2-CD1 4.19Å; F255-I259 HydrophobicContact CD2-CG1 4.14Å; F255-I259 HydrophobicContact CE1-CD1 4.22Å; F255-I259 HydrophobicContact CE2-CD1 3.83Å; F255-I259 HydrophobicContact CE2-CG1 3.85Å; F255-I259 HydrophobicContact CZ-CD1 3.86Å; F255-I259 HydrophobicContact CZ-CG1 4.36Å; F255-I259 WeakPolarHBondContact O-CG1 3.2Å; F255-I259 PolarHBondContact O-N 2.96Å; D256-I259 WeakPolarHBondContact O-CB 3.49Å; D256-I259 PolarHBondContact O-N 3.3Å; I259-N261 VanDerWaalsContact C-N 3.32Å; I259-N261 PolarHBondContact O-N 3.46Å; I259-L262 PolarHBondContact O-N 3.43Å; I259-I263 HydrophobicContact CG2-CG1 4.21Å; I259-I263 VanDerWaalsContact O-CG1 3.27Å; I259-I263 WeakPolarHBondContact O-CG1 3.35Å; I259-I263 PolarHBondContact O-N 3.15Å; I259-F279 HydrophobicContact CD1-CD2 3.81Å; I259-F279 HydrophobicContact CD1-CE2 3.92Å |
| 260 | G | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.8 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | N49 D256 S257 T258 I263 A264 | N49-G260 VanDerWaalsContact CG-CA 3.41Å; N49-G260 VanDerWaalsContact OD1-CA 3.26Å; N49-G260 WeakPolarHBondContact OD1-CA 3.32Å; D256-G260 PolarHBondContact O-N 3.26Å; S257-G260 PolarHBondContact O-N 2.72Å; T258-G260 VanDerWaalsContact C-N 3.29Å; T258-G260 PolarHBondContact O-N 3.17Å; G260-I263 PolarHBondContact O-N 2.98Å; G260-A264 WeakPolarHBondContact O-CB 3.06Å; G260-A264 PolarHBondContact O-N 2.91Å |
| 261 | N | 98.8 | Very high | 98.8 | Very high | 62 Ų | 62 | 27.9 Ų | 27.9 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.7 | -65.2 | -29.6 | 0 | 0 | 0 | 112.2 | S257 T258 I259 A264 T265 | S257-N261 VanDerWaalsContact O-CG 3.29Å; S257-N261 PolarHBondContact O-N 2.82Å; S257-N261 PolarHBondContact O-ND2 3.39Å; T258-N261 WeakPolarHBondContact O-CB 3.37Å; T258-N261 PolarHBondContact O-N 3.42Å; T258-N261 VanDerWaalsContact O-N 3.15Å; I259-N261 VanDerWaalsContact C-N 3.32Å; I259-N261 PolarHBondContact O-N 3.46Å; N261-A264 PolarHBondContact O-N 3.4Å; N261-T265 PolarHBondContact O-N 3.09Å; N261-T265 PolarHBondContact O-OG1 2.94Å; N261-T265 VanDerWaalsContact O-OG1 3.11Å |
| 262 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | -179 | -66.7 | -179.4 | 0 | 0 | 0 | 112.3 | F27 A206 I210 L222 Y224 T258 I259 T265 L266 | F27-L262 HydrophobicContact CE1-CD1 3.59Å; F27-L262 HydrophobicContact CZ-CB 3.99Å; F27-L262 HydrophobicContact CZ-CD1 3.91Å; A206-L262 HydrophobicContact CB-CD1 4Å; A206-L262 HydrophobicContact CB-CD2 3.71Å; I210-L262 HydrophobicContact CD1-CD2 4.29Å; L222-L262 HydrophobicContact CD2-CD1 4.37Å; Y224-L262 HydrophobicContact CD2-CD1 4.07Å; Y224-L262 HydrophobicContact CE2-CD1 4.19Å; T258-L262 HydrophobicContact CG2-CD1 4.18Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CG 2.8Å; T258-L262 PolarHBondContact O-N 3.4Å; I259-L262 PolarHBondContact O-N 3.43Å; L262-T265 WeakPolarHBondContact O-CB 3.28Å; L262-T265 PolarHBondContact O-N 2.94Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.14Å |
| 263 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 170.4 | -63.4 | -62.2 | 0 | 0 | 0 | 110.7 | L53 I259 G260 T265 L266 E267 V277 | L53-I263 HydrophobicContact CD1-CD1 4.31Å; L53-I263 HydrophobicContact CD1-CG1 4.3Å; L53-I263 HydrophobicContact CD2-CD1 3.88Å; L53-I263 HydrophobicContact CD2-CG1 4.07Å; I259-I263 HydrophobicContact CG2-CG1 4.21Å; I259-I263 VanDerWaalsContact O-CG1 3.27Å; I259-I263 WeakPolarHBondContact O-CG1 3.35Å; I259-I263 PolarHBondContact O-N 3.15Å; G260-I263 PolarHBondContact O-N 2.98Å; I263-T265 VanDerWaalsContact C-N 3.3Å; I263-T265 PolarHBondContact O-N 3.47Å; I263-L266 HydrophobicContact CD1-CD1 4.29Å; I263-L266 WeakPolarHBondContact O-CB 3.22Å; I263-L266 PolarHBondContact O-N 3.2Å; I263-L266 VanDerWaalsContact O-N 3.15Å; I263-E267 HydrophobicContact CG2-CG 4.49Å; I263-E267 WeakPolarHBondContact O-CG 3.32Å; I263-E267 PolarHBondContact O-N 3.33Å; I263-V277 HydrophobicContact CD1-CB 4.45Å; I263-V277 HydrophobicContact CD1-CG1 4.05Å; I263-V277 HydrophobicContact CD1-CG2 3.82Å |
| 264 | A | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 24% | 0.24 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G260 N261 E267 Q268 | G260-A264 WeakPolarHBondContact O-CB 3.06Å; G260-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact O-N 3.4Å; A264-E267 PolarHBondContact O-N 3.44Å; A264-Q268 WeakPolarHBondContact O-CB 3.5Å; A264-Q268 WeakPolarHBondContact O-CG 3.45Å; A264-Q268 PolarHBondContact O-N 2.78Å |
| 265 | T | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 173.3 | -65 | 0 | 0 | 0 | 0 | 111.5 | T207 I210 I211 N261 L262 I263 E267 Q268 M269 | T207-T265 HydrophobicContact CG2-CG2 3.95Å; I210-T265 HydrophobicContact CB-CG2 4.19Å; I210-T265 HydrophobicContact CD1-CG2 4.37Å; I210-T265 HydrophobicContact CG2-CG2 3.94Å; I211-T265 HydrophobicContact CG1-CG2 4.22Å; N261-T265 PolarHBondContact O-N 3.09Å; N261-T265 PolarHBondContact O-OG1 2.94Å; N261-T265 VanDerWaalsContact O-OG1 3.11Å; L262-T265 WeakPolarHBondContact O-CB 3.28Å; L262-T265 PolarHBondContact O-N 2.94Å; I263-T265 VanDerWaalsContact C-N 3.3Å; I263-T265 PolarHBondContact O-N 3.47Å; T265-E267 VanDerWaalsContact C-N 3.34Å; T265-E267 PolarHBondContact O-N 2.92Å; T265-Q268 PolarHBondContact O-N 2.79Å; T265-M269 HydrophobicContact CG2-CG 4.32Å; T265-M269 WeakPolarHBondContact O-CB 3.41Å; T265-M269 VanDerWaalsContact O-CG 3.24Å; T265-M269 WeakPolarHBondContact O-CG 3.42Å; T265-M269 PolarHBondContact O-N 3.01Å |
| 266 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 177 | -66.6 | 168.1 | 0 | 0 | 0 | 112.4 | V25 I210 F220 L262 I263 G270 V271 I272 T275 V277 | V25-L266 HydrophobicContact CG2-CD1 4.18Å; I210-L266 HydrophobicContact CD1-CD2 4.13Å; I210-L266 HydrophobicContact CD1-CG 4.4Å; I210-L266 HydrophobicContact CG2-CD2 3.93Å; F220-L266 HydrophobicContact CE2-CD2 4.19Å; F220-L266 HydrophobicContact CZ-CD2 3.61Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.14Å; I263-L266 HydrophobicContact CD1-CD1 4.29Å; I263-L266 WeakPolarHBondContact O-CB 3.22Å; I263-L266 PolarHBondContact O-N 3.2Å; I263-L266 VanDerWaalsContact O-N 3.15Å; L266-G270 PolarHBondContact O-N 3.09Å; L266-V271 HydrophobicContact CB-CG2 4.49Å; L266-V271 HydrophobicContact CD2-CG2 3.88Å; L266-V271 PolarHBondContact O-N 3.23Å; L266-I272 HydrophobicContact CB-CB 4.12Å; L266-I272 HydrophobicContact CB-CD1 3.87Å; L266-I272 HydrophobicContact CD1-CD1 3.89Å; L266-I272 PolarHBondContact O-N 2.78Å; L266-T275 HydrophobicContact CD1-CG2 4.07Å; L266-T275 HydrophobicContact CD2-CG2 4.18Å; L266-V277 HydrophobicContact CD1-CG2 4.07Å |
| 267 | E | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 34.2 Ų | 34.2 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 175 | -71.6 | 169.8 | 173.5 | 0 | 0 | 111 | R52 I263 A264 T265 M269 G270 I272 | R52-E267 IonicContact NH1-OE1 2.74Å; R52-E267 PolarHBondContact NH1-OE1 2.9Å; I263-E267 HydrophobicContact CG2-CG 4.49Å; I263-E267 WeakPolarHBondContact O-CG 3.32Å; I263-E267 PolarHBondContact O-N 3.33Å; A264-E267 PolarHBondContact O-N 3.44Å; T265-E267 VanDerWaalsContact C-N 3.34Å; T265-E267 PolarHBondContact O-N 2.92Å; E267-M269 VanDerWaalsContact C-N 3.33Å; E267-M269 PolarHBondContact O-N 3.06Å; E267-G270 PolarHBondContact O-N 3.37Å; E267-I272 HydrophobicContact CG-CB 4.2Å; E267-I272 HydrophobicContact CG-CG1 4.22Å; E267-I272 HydrophobicContact CG-CG2 4.04Å |
| 268 | Q | 98.7 | Very high | 98.6 | Very high | 161 Ų | 161 | 33 Ų | 33 | 75% | 0.752 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.2 | -36.6 | 179.3 | -73.7 | 172.6 | 11.4 | 0 | 0 | 112.9 | A264 T265 G270 | A264-Q268 WeakPolarHBondContact O-CB 3.5Å; A264-Q268 WeakPolarHBondContact O-CG 3.45Å; A264-Q268 PolarHBondContact O-N 2.78Å; T265-Q268 PolarHBondContact O-N 2.79Å; Q268-G270 PolarHBondContact O-N 3.1Å |
| 269 | M | 98.5 | Very high | 98.6 | Very high | 56 Ų | 56 | 32.8 Ų | 32.8 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.7 | 175.9 | -65.6 | -53.4 | -59.7 | 0 | 0 | 113.1 | I211 V214 T265 E267 V271 | I211-M269 HydrophobicContact CB-SD 4.47Å; I211-M269 HydrophobicContact CG1-CG 4.1Å; I211-M269 HydrophobicContact CG1-SD 3.85Å; I211-M269 HydrophobicContact CG2-CE 4.34Å; I211-M269 HydrophobicContact CG2-SD 4.44Å; V214-M269 HydrophobicContact CB-CE 3.82Å; V214-M269 HydrophobicContact CG1-CB 4.46Å; V214-M269 HydrophobicContact CG1-CE 3.62Å; V214-M269 HydrophobicContact CG2-CB 4.29Å; T265-M269 HydrophobicContact CG2-CG 4.32Å; T265-M269 WeakPolarHBondContact O-CB 3.41Å; T265-M269 VanDerWaalsContact O-CG 3.24Å; T265-M269 WeakPolarHBondContact O-CG 3.42Å; T265-M269 PolarHBondContact O-N 3.01Å; E267-M269 VanDerWaalsContact C-N 3.33Å; E267-M269 PolarHBondContact O-N 3.06Å; M269-V271 VanDerWaalsContact C-N 3.29Å; M269-V271 HydrophobicContact CB-CG2 4.17Å; M269-V271 PolarHBondContact O-N 3.34Å |
| 270 | G | 97.9 | Very high | 98.6 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 54% | 0.536 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L266 E267 Q268 | L266-G270 PolarHBondContact O-N 3.09Å; E267-G270 PolarHBondContact O-N 3.37Å; Q268-G270 PolarHBondContact O-N 3.1Å |
| 271 | V | 98.4 | Very high | 98.6 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | trans | -112.8 | -2.4 | -175.1 | -64.3 | 0 | 0 | 0 | 0 | 114.2 | V214 F220 L266 M269 N273 N274 T275 | V214-V271 HydrophobicContact CG1-CG1 4.13Å; V214-V271 HydrophobicContact CG2-CB 4.48Å; V214-V271 HydrophobicContact CG2-CG1 3.74Å; V214-V271 HydrophobicContact CG2-CG2 4.01Å; F220-V271 HydrophobicContact CE1-CG2 4.49Å; L266-V271 HydrophobicContact CB-CG2 4.49Å; L266-V271 HydrophobicContact CD2-CG2 3.88Å; L266-V271 PolarHBondContact O-N 3.23Å; M269-V271 VanDerWaalsContact C-N 3.29Å; M269-V271 HydrophobicContact CB-CG2 4.17Å; M269-V271 PolarHBondContact O-N 3.34Å; V271-N273 PolarHBondContact O-N 2.79Å; V271-N274 CarbonylContact O-C 3.56Å; V271-N274 PolarHBondContact O-N 3.22Å; V271-T275 WeakPolarHBondContact O-CB 3.34Å; V271-T275 PolarHBondContact O-N 2.03Å; V271-T275 PolarHBondContact O-OG1 2.81Å | ||
| 272 | I | 98.4 | Very high | 98.6 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.7 | -32.9 | -179.2 | -169.8 | 59.8 | 0 | 0 | 0 | 113.6 | L266 E267 N274 T275 V277 F318 P320 | L266-I272 HydrophobicContact CB-CB 4.12Å; L266-I272 HydrophobicContact CB-CD1 3.87Å; L266-I272 HydrophobicContact CD1-CD1 3.89Å; L266-I272 PolarHBondContact O-N 2.78Å; E267-I272 HydrophobicContact CG-CB 4.2Å; E267-I272 HydrophobicContact CG-CG1 4.22Å; E267-I272 HydrophobicContact CG-CG2 4.04Å; I272-N274 VanDerWaalsContact C-N 3.25Å; I272-N274 PolarHBondContact O-N 3.2Å; I272-T275 PolarHBondContact O-N 2.8Å; I272-V277 HydrophobicContact CD1-CG2 4.38Å; I272-F318 HydrophobicContact CD1-CE1 4.04Å; I272-F318 HydrophobicContact CG1-CE1 4.27Å; I272-P320 HydrophobicContact CG1-CG 4.03Å |
| 273 | N | 97.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 29.5 Ų | 29.5 | 56% | 0.556 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -76.6 | -8.2 | 177.4 | 64.1 | -6.2 | 0 | 0 | 0 | 113.8 | V271 W319 | V271-N273 PolarHBondContact O-N 2.79Å; N273-W319 PolarHBondContact O-NE1 3.12Å |
| 274 | N | 98 | Very high | 98.6 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -120.9 | 30.6 | 172.4 | -167.8 | 45.3 | 0 | 0 | 0 | 111 | P21 P22 N23 V271 I272 | P21-N274 PolarHBondContact O-ND2 2.78Å; P22-N274 WeakPolarHBondContact CA-O 3.21Å; N23-N274 PolarHBondContact N-O 2.81Å; N23-N274 PolarHBondContact ND2-O 3.47Å; V271-N274 CarbonylContact O-C 3.56Å; V271-N274 PolarHBondContact O-N 3.22Å; I272-N274 VanDerWaalsContact C-N 3.25Å; I272-N274 PolarHBondContact O-N 3.2Å |
| 275 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.9 | -178 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | N23 V25 L266 V271 I272 V277 | N23-T275 HydrophobicContact CB-CG2 3.94Å; N23-T275 PolarHBondContact ND2-OG1 3.24Å; N23-T275 CarbonylContact O-C 3.41Å; N23-T275 WeakPolarHBondContact O-CA 3.48Å; V25-T275 HydrophobicContact CG2-CG2 3.88Å; L266-T275 HydrophobicContact CD1-CG2 4.07Å; L266-T275 HydrophobicContact CD2-CG2 4.18Å; V271-T275 WeakPolarHBondContact O-CB 3.34Å; V271-T275 PolarHBondContact O-N 2.03Å; V271-T275 PolarHBondContact O-OG1 2.81Å; I272-T275 PolarHBondContact O-N 2.8Å; T275-V277 HydrophobicContact CG2-CG2 4.2Å |
| 276 | L | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116.4 | 165.5 | 174.2 | 61.7 | 0 | 0 | 0 | 108.8 | N23 F24 V25 W319 I323 L344 | N23-L276 PolarHBondContact O-N 2.86Å; F24-L276 HydrophobicContact CD1-CB 4.01Å; F24-L276 HydrophobicContact CD1-CD2 4.18Å; F24-L276 HydrophobicContact CE1-CB 4.42Å; F24-L276 HydrophobicContact CE1-CD2 4.34Å; V25-L276 PolarHBondContact N-O 3.02Å; L276-W319 HydrophobicContact CB-CD2 4.35Å; L276-W319 HydrophobicContact CB-CE3 3.74Å; L276-W319 HydrophobicContact CB-CZ3 4.1Å; L276-W319 HydrophobicContact CD1-CB 4.44Å; L276-W319 HydrophobicContact CD1-CE3 4.21Å; L276-W319 HydrophobicContact CG-CE3 4.47Å; L276-I323 HydrophobicContact CD1-CD1 3.82Å; L276-L344 HydrophobicContact CD2-CD1 3.64Å |
| 277 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.1 | 168.9 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | V25 F27 L53 I263 L266 I272 T275 F318 | V25-V277 HydrophobicContact CB-CG2 4.35Å; V25-V277 CarbonylContact O-C 3.49Å; V25-V277 WeakPolarHBondContact O-CA 3.44Å; F27-V277 HydrophobicContact CD2-CG1 3.83Å; F27-V277 HydrophobicContact CE2-CG1 3.71Å; L53-V277 HydrophobicContact CD1-CG1 4.5Å; I263-V277 HydrophobicContact CD1-CB 4.45Å; I263-V277 HydrophobicContact CD1-CG1 4.05Å; I263-V277 HydrophobicContact CD1-CG2 3.82Å; L266-V277 HydrophobicContact CD1-CG2 4.07Å; I272-V277 HydrophobicContact CD1-CG2 4.38Å; T275-V277 HydrophobicContact CG2-CG2 4.2Å; V277-F318 HydrophobicContact CB-CB 4.26Å; V277-F318 HydrophobicContact CB-CD1 4.36Å; V277-F318 HydrophobicContact CG2-CD1 4.4Å; V277-F318 PolarHBondContact N-O 3.04Å; V277-F318 PolarHBondContact O-N 3.23Å |
| 278 | F | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.044 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.3 | 175.2 | -153 | -78.6 | 0 | 0 | 0 | 109.7 | V25 L26 F27 F60 F63 T280 A315 I316 A317 I337 M359 | V25-F278 PolarHBondContact O-N 3.22Å; L26-F278 CarbonylContact C-O 3.52Å; L26-F278 WeakPolarHBondContact CA-O 3.37Å; L26-F278 HydrophobicContact CD1-CB 4.02Å; L26-F278 HydrophobicContact CD1-CD1 4.17Å; L26-F278 HydrophobicContact CD1-CG 4.49Å; F27-F278 PolarHBondContact N-O 3.29Å; F60-F278 HydrophobicContact CE2-CE2 4.26Å; F60-F278 HydrophobicContact CE2-CZ 4.2Å; F60-F278 HydrophobicContact CZ-CE2 4.35Å; F60-F278 HydrophobicContact CZ-CZ 4.38Å; F63-F278 HydrophobicContact CD2-CZ 4.35Å; F63-F278 AromaticContact CE2-CE1 3.92Å; F63-F278 HydrophobicContact CE2-CE1 3.92Å; F63-F278 AromaticContact CE2-CZ 3.68Å; F63-F278 HydrophobicContact CE2-CZ 3.68Å; F63-F278 AromaticContact CZ-CE1 3.87Å; F63-F278 HydrophobicContact CZ-CE1 3.87Å; F63-F278 HydrophobicContact CZ-CZ 4.11Å; F278-T280 HydrophobicContact CD1-CG2 4.36Å; F278-T280 HydrophobicContact CE1-CG2 4.26Å; F278-A315 HydrophobicContact CE1-CB 4.18Å; F278-A315 HydrophobicContact CZ-CB 4.46Å; F278-I316 CarbonylContact C-O 3.59Å; F278-I316 WeakPolarHBondContact CA-O 3.49Å; F278-A317 HydrophobicContact CD2-CB 3.77Å; F278-A317 HydrophobicContact CE2-CB 3.78Å; F278-I337 HydrophobicContact CD1-CD1 4.11Å; F278-I337 HydrophobicContact CE1-CD1 4.05Å; F278-M359 HydrophobicContact CE2-CE 4.19Å; F278-M359 HydrophobicContact CZ-CE 4.4Å |
| 279 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.3 | 175.6 | 171.4 | -86.6 | 0 | 0 | 0 | 109.7 | F27 A29 L32 L37 L50 F255 I259 P314 A315 I316 | F27-F279 HydrophobicContact CB-CB 4.3Å; F27-F279 HydrophobicContact CB-CD2 3.75Å; F27-F279 HydrophobicContact CB-CG 4.49Å; F27-F279 WeakPolarHBondContact O-CA 3.06Å; A29-F279 HydrophobicContact CB-CZ 4.37Å; L32-F279 HydrophobicContact CD2-CE1 4.14Å; L32-F279 HydrophobicContact CD2-CZ 3.58Å; L37-F279 HydrophobicContact CD1-CD1 4.49Å; L37-F279 HydrophobicContact CD1-CE1 3.78Å; L37-F279 HydrophobicContact CD1-CZ 4.37Å; L37-F279 HydrophobicContact CD2-CZ 4.43Å; L50-F279 HydrophobicContact CD1-CE2 3.87Å; L50-F279 HydrophobicContact CD1-CZ 3.9Å; L50-F279 HydrophobicContact CD2-CB 4.24Å; L50-F279 HydrophobicContact CD2-CD1 3.96Å; L50-F279 HydrophobicContact CD2-CD2 3.4Å; L50-F279 HydrophobicContact CD2-CE1 4.17Å; L50-F279 HydrophobicContact CD2-CE2 3.59Å; L50-F279 HydrophobicContact CD2-CG 3.58Å; L50-F279 HydrophobicContact CD2-CZ 3.97Å; L50-F279 HydrophobicContact CG-CE2 4.4Å; F255-F279 AromaticContact CE1-CE2 3.73Å; F255-F279 HydrophobicContact CE1-CE2 3.73Å; F255-F279 HydrophobicContact CZ-CE2 4.19Å; I259-F279 HydrophobicContact CD1-CD2 3.81Å; I259-F279 HydrophobicContact CD1-CE2 3.92Å; F279-P314 HydrophobicContact CE1-CG 4.35Å; F279-A315 CarbonylContact O-C 3.39Å; F279-A315 VanDerWaalsContact O-CA 3.22Å; F279-A315 WeakPolarHBondContact O-CA 3.44Å; F279-I316 HydrophobicContact CB-CB 4.35Å; F279-I316 HydrophobicContact CD1-CD1 4.32Å; F279-I316 PolarHBondContact N-O 3.01Å; F279-I316 PolarHBondContact O-N 2.75Å |
| 280 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 179.1 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | F27 F28 A29 F63 F278 P314 T334 I337 | F27-T280 PolarHBondContact O-N 3.48Å; F27-T280 VanDerWaalsContact O-N 3.09Å; F28-T280 CarbonylContact C-O 3.39Å; F28-T280 VanDerWaalsContact CA-O 3.31Å; F28-T280 WeakPolarHBondContact CA-O 3.4Å; F28-T280 HydrophobicContact CD2-CG2 3.64Å; F28-T280 HydrophobicContact CE2-CG2 3.73Å; A29-T280 PolarHBondContact N-O 2.78Å; F63-T280 WeakPolarHBondContact CD1-OG1 3.36Å; F63-T280 HydrophobicContact CE1-CG2 3.91Å; F63-T280 WeakPolarHBondContact CE1-OG1 3.48Å; F63-T280 HydrophobicContact CZ-CG2 4.3Å; F278-T280 HydrophobicContact CD1-CG2 4.36Å; F278-T280 HydrophobicContact CE1-CG2 4.26Å; T280-P314 VanDerWaalsContact CA-O 3.25Å; T280-P314 WeakPolarHBondContact CA-O 3.47Å; T280-P314 PolarHBondContact OG1-O 3.48Å; T280-T334 HydrophobicContact CG2-CG2 4.44Å; T280-I337 HydrophobicContact CG2-CD1 4.4Å |
| 281 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 165.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F28 A29 L32 E313 | F28-A281 VanDerWaalsContact CE2-C 3.44Å; F28-A281 WeakPolarHBondContact CE2-O 3.49Å; A29-A281 HydrophobicContact CB-CB 4Å; L32-A281 HydrophobicContact CB-CB 3.89Å; L32-A281 VanDerWaalsContact O-CB 3.3Å; L32-A281 WeakPolarHBondContact O-CB 3.39Å; A281-E313 HydrophobicContact CB-CB 4.32Å; A281-E313 HydrophobicContact CB-CG 4.45Å |
| 282 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -84 | -35.8 | 179.5 | 67.4 | -15.4 | 0 | 0 | 0 | 114.2 | F28 A29 D30 D31 C65 C70 S73 R74 | F28-D282 HydrophobicContact CD1-CB 4.22Å; F28-D282 HydrophobicContact CE1-CB 3.38Å; F28-D282 HydrophobicContact CE2-CB 4.26Å; F28-D282 HydrophobicContact CZ-CB 3.4Å; F28-D282 VanDerWaalsContact CZ-CB 3.4Å; A29-D282 PolarHBondContact O-N 3.19Å; A29-D282 VanDerWaalsContact O-N 3.15Å; D30-D282 WeakPolarHBondContact CA-OD1 3.27Å; D30-D282 VanDerWaalsContact OD1-OD2 3.09Å; D31-D282 PolarHBondContact N-OD1 2.93Å; D31-D282 VanDerWaalsContact N-OD1 3.17Å; C65-D282 WeakPolarHBondContact CB-O 3.21Å; C65-D282 PolarHBondContact SG-O 3.14Å; C70-D282 WeakPolarHBondContact CA-OD2 3.41Å; C70-D282 WeakPolarHBondContact CB-OD2 3.46Å; S73-D282 WeakPolarHBondContact CB-O 3.3Å; S73-D282 PolarHBondContact OG-O 3.38Å; R74-D282 IonicContact CZ-OD2 2.87Å; R74-D282 IonicContact NE-OD2 3.53Å; R74-D282 PolarHBondContact NE-OD2 3.36Å; R74-D282 IonicContact NH2-OD2 3.62Å; R74-D282 PolarHBondContact NH2-OD2 2.97Å |
| 283 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -158.5 | 169.3 | 174 | 52.2 | -118.4 | 0 | 0 | 0 | 110.7 | D31 V69 C70 E313 | D31-N283 PolarHBondContact OD1-ND2 3.45Å; V69-N283 VanDerWaalsContact CA-OD1 3.24Å; V69-N283 WeakPolarHBondContact CA-OD1 3.19Å; C70-N283 PolarHBondContact N-OD1 2.81Å; C70-N283 VanDerWaalsContact N-OD1 3.12Å; N283-E313 VanDerWaalsContact C-OE2 3.27Å; N283-E313 WeakPolarHBondContact CA-OE1 3.05Å |
| 284 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -59.1 | 175 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K303 G309 G310 E313 | G284-K303 WeakPolarHBondContact O-CB 3.15Å; G284-G309 VanDerWaalsContact CA-O 3.31Å; G284-G309 WeakPolarHBondContact CA-O 3.42Å; G284-G310 PolarHBondContact N-O 3.11Å; G284-G310 VanDerWaalsContact N-O 3.09Å; G284-E313 PolarHBondContact N-OE1 2.85Å; G284-E313 PolarHBondContact N-OE2 3.23Å | ||
| 285 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -73.6 | 145.3 | -170 | 32.4 | -34.6 | 0 | 0 | 0 | 112 | L287 G294 K303 G309 | P285-L287 HydrophobicContact CB-CD2 4.21Å; P285-L287 HydrophobicContact CG-CD2 3.73Å; P285-L287 HydrophobicContact CG-CG 4.15Å; P285-L287 PolarHBondContact O-N 3.4Å; P285-G294 VanDerWaalsContact CB-CA 3.47Å; P285-K303 WeakPolarHBondContact O-CB 3.38Å; P285-K303 PolarHBondContact O-N 3.13Å; P285-G309 VanDerWaalsContact CD-O 3.25Å; P285-G309 WeakPolarHBondContact CD-O 3.07Å | ||
| 286 | E | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -78.2 | 85.5 | 169.9 | -169.1 | 175.4 | -129.7 | 0 | 0 | 110.8 | M288 R289 K303 H406 | E286-M288 HydrophobicContact CG-CG 3.63Å; E286-M288 HydrophobicContact CG-SD 4.33Å; E286-M288 PolarHBondContact O-N 2.72Å; E286-R289 HydrophobicContact CB-CG 4.27Å; E286-R289 HydrophobicContact CG-CG 3.99Å; E286-R289 WeakPolarHBondContact O-CB 3.38Å; E286-R289 PolarHBondContact O-N 3.3Å; E286-R289 VanDerWaalsContact O-N 3.1Å; E286-R289 IonicContact OE1-NH2 3.1Å; E286-R289 VanDerWaalsContact OE2-CG 3.26Å; E286-R289 WeakPolarHBondContact OE2-CG 3.24Å; E286-R289 IonicContact OE2-CZ 2.67Å; E286-R289 IonicContact OE2-NE 2.98Å; E286-R289 PolarHBondContact OE2-NE 3.01Å; E286-R289 IonicContact OE2-NH2 3.02Å; E286-R289 PolarHBondContact OE2-NH2 3.2Å; E286-K303 HydrophobicContact CB-CB 4.44Å; E286-K303 HydrophobicContact CB-CD 3.9Å; E286-K303 HydrophobicContact CG-CD 4.18Å; E286-H406 CarbonylContact C-O 3.49Å; E286-H406 HydrophobicContact CG-CB 4.2Å; E286-H406 IonicContact OE1-CE1 3.74Å; E286-H406 PolarHBondContact OE1-CE1 3.34Å; E286-H406 IonicContact OE1-CG 3.6Å; E286-H406 IonicContact OE1-ND1 2.78Å; E286-H406 PolarHBondContact OE1-ND1 3.2Å | ||
| 287 | L | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -64.5 | -24.2 | -173.3 | -60.7 | 171.5 | 0 | 0 | 0 | 113.6 | P285 R289 M290 C301 H406 A408 T409 T410 | P285-L287 HydrophobicContact CB-CD2 4.21Å; P285-L287 HydrophobicContact CG-CD2 3.73Å; P285-L287 HydrophobicContact CG-CG 4.15Å; P285-L287 PolarHBondContact O-N 3.4Å; L287-R289 PolarHBondContact O-N 3.18Å; L287-R289 VanDerWaalsContact O-N 3.09Å; L287-M290 PolarHBondContact O-N 3.28Å; L287-C301 VanDerWaalsContact CD1-C 3.43Å; L287-H406 PolarHBondContact N-O 2.84Å; L287-A408 CarbonylContact C-O 3.54Å; L287-T409 PolarHBondContact O-OG1 3.24Å; L287-T409 VanDerWaalsContact O-OG1 3.09Å; L287-T410 HydrophobicContact CB-CG2 3.84Å; L287-T410 HydrophobicContact CD1-CG2 3.68Å; L287-T410 HydrophobicContact CG-CG2 4.23Å |
| 288 | M | 97.9 | Very high | 98.5 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 28% | 0.281 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -62.3 | -15.2 | 174.1 | 68.1 | 174.3 | -61.6 | 0 | 0 | 113.8 | E286 M290 T405 H406 A408 T409 | E286-M288 HydrophobicContact CG-CG 3.63Å; E286-M288 HydrophobicContact CG-SD 4.33Å; E286-M288 PolarHBondContact O-N 2.72Å; M288-M290 PolarHBondContact O-N 2.94Å; M288-T405 WeakPolarHBondContact CB-O 3.14Å; M288-T405 HydrophobicContact CE-CG2 4.22Å; M288-T405 HydrophobicContact SD-CG2 4.2Å; M288-H406 PolarHBondContact N-O 3.43Å; M288-H406 VanDerWaalsContact N-O 3.09Å; M288-A408 HydrophobicContact CB-CB 4.5Å; M288-A408 PolarHBondContact N-O 2.85Å; M288-T409 HydrophobicContact CB-CG2 4.49Å |
| 289 | R | 98.3 | Very high | 98.5 | Very high | 60 Ų | 60 | 32 Ų | 32 | 23% | 0.226 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -80.2 | 1.8 | 172.9 | -55.5 | -55.3 | 177.8 | -179.2 | -3.4 | 113.3 | E286 L287 S291 R292 | E286-R289 HydrophobicContact CB-CG 4.27Å; E286-R289 HydrophobicContact CG-CG 3.99Å; E286-R289 WeakPolarHBondContact O-CB 3.38Å; E286-R289 PolarHBondContact O-N 3.3Å; E286-R289 VanDerWaalsContact O-N 3.1Å; E286-R289 IonicContact OE1-NH2 3.1Å; E286-R289 VanDerWaalsContact OE2-CG 3.26Å; E286-R289 WeakPolarHBondContact OE2-CG 3.24Å; E286-R289 IonicContact OE2-CZ 2.67Å; E286-R289 IonicContact OE2-NE 2.98Å; E286-R289 PolarHBondContact OE2-NE 3.01Å; E286-R289 IonicContact OE2-NH2 3.02Å; E286-R289 PolarHBondContact OE2-NH2 3.2Å; L287-R289 PolarHBondContact O-N 3.18Å; L287-R289 VanDerWaalsContact O-N 3.09Å; R289-S291 PolarHBondContact O-N 2.57Å; R289-R292 HydrophobicContact CB-CB 4.48Å; R289-R292 WeakPolarHBondContact O-CA 3.32Å; R289-R292 WeakPolarHBondContact O-CB 3.44Å; R289-R292 PolarHBondContact O-N 3.01Å |
| 290 | M | 98.1 | Very high | 98.5 | Very high | 134 Ų | 134 | 33.5 Ų | 33.5 | 66% | 0.66 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | 53.5 | -128.1 | 175.1 | -52 | 175.4 | 77.6 | 0 | 0 | 110.6 | L287 M288 R292 G293 T409 | L287-M290 PolarHBondContact O-N 3.28Å; M288-M290 PolarHBondContact O-N 2.94Å; M290-R292 PolarHBondContact O-N 3.18Å; M290-G293 PolarHBondContact O-N 3.31Å; M290-T409 HydrophobicContact CG-CG2 4.36Å |
| 291 | S | 97.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 33.7 Ų | 33.7 | 71% | 0.706 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66.7 | -5.6 | 179.1 | 59.7 | 0 | 0 | 0 | 0 | 115 | R289 | R289-S291 PolarHBondContact O-N 2.57Š|
| 292 | R | 98.1 | Very high | 98.5 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -105.4 | 5.6 | 175.5 | -57.7 | 166.6 | -177.4 | -89.5 | 6.5 | 112.4 | Q233 R289 M290 | Q233-R292 HydrophobicContact CG-CB 4.44Å; Q233-R292 WeakPolarHBondContact CG-O 3.43Å; Q233-R292 PolarHBondContact NE2-O 3.08Å; R289-R292 HydrophobicContact CB-CB 4.48Å; R289-R292 WeakPolarHBondContact O-CA 3.32Å; R289-R292 WeakPolarHBondContact O-CB 3.44Å; R289-R292 PolarHBondContact O-N 3.01Å; M290-R292 PolarHBondContact O-N 3.18Å |
| 293 | G | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -106.2 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | F248 M290 | F248-G293 WeakPolarHBondContact CD2-O 3.48Å; F248-G293 VanDerWaalsContact CE2-C 3.44Å; M290-G293 PolarHBondContact O-N 3.31Å |
| 294 | G | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | trans | -75.3 | -171.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D36 F248 P285 | D36-G294 WeakPolarHBondContact OD2-CA 3.4Å; F248-G294 VanDerWaalsContact CE2-CA 3.41Å; P285-G294 VanDerWaalsContact CB-CA 3.47Å | ||
| 295 | N | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 35% | 0.348 | 19% | 0.192 | S | C | . | . | trans | -137.1 | 128.2 | -175.2 | -167.6 | -73.5 | 0 | 0 | 0 | 110.5 | G33 G35 D36 G297 | G33-N295 CarbonylContact C-O 3.56Å; G33-N295 WeakPolarHBondContact CA-O 3.34Å; G35-N295 CarbonylContact C-O 3.51Å; G35-N295 VanDerWaalsContact CA-O 3.32Å; G35-N295 WeakPolarHBondContact CA-O 3.5Å; G35-N295 PolarHBondContact N-O 3.43Å; D36-N295 VanDerWaalsContact CG-N 3.26Å; D36-N295 VanDerWaalsContact OD1-CB 3.32Å; D36-N295 WeakPolarHBondContact OD1-CB 3.34Å; D36-N295 PolarHBondContact OD1-N 2.91Å; D36-N295 PolarHBondContact OD2-N 3.27Å; N295-G297 PolarHBondContact O-N 3Å; N295-G297 WeakPolarHBondContact OD1-CA 3.4Å; N295-G297 PolarHBondContact OD1-N 2.8Å | ||
| 296 | S | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -80 | -2.8 | 179.8 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | L299 C301 | S296-L299 WeakPolarHBondContact CB-O 3.42Å; S296-L299 WeakPolarHBondContact O-CB 3.3Å; S296-L299 WeakPolarHBondContact O-CG 3.24Å; S296-L299 PolarHBondContact O-N 3Å; S296-L299 VanDerWaalsContact O-N 3.13Å; S296-L299 PolarHBondContact OG-O 2.92Å; S296-C301 VanDerWaalsContact CB-O 3.27Å; S296-C301 WeakPolarHBondContact CB-O 3.36Å; S296-C301 PolarHBondContact OG-O 2.99Å | ||
| 297 | G | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -126.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N295 L299 | N295-G297 PolarHBondContact O-N 3Å; N295-G297 WeakPolarHBondContact OD1-CA 3.4Å; N295-G297 PolarHBondContact OD1-N 2.8Å; G297-L299 PolarHBondContact O-N 2.63Å |
| 298 | P | 97.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 33.5 Ų | 33.5 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.2 | 176.5 | 33.6 | -35.5 | 0 | 0 | 0 | 113.1 | S437 | P298-S437 WeakPolarHBondContact O-CA 3.5Å; P298-S437 VanDerWaalsContact O-CB 3.31Å; P298-S437 WeakPolarHBondContact O-CB 3.3Å; P298-S437 PolarHBondContact O-OG 2.9Å |
| 299 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -84.6 | 151 | -171.7 | -48.9 | 179.8 | 0 | 0 | 0 | 111.7 | F34 S296 G297 D308 R312 P436 | F34-L299 HydrophobicContact CB-CD1 3.49Å; F34-L299 VanDerWaalsContact CB-CD1 3.49Å; F34-L299 HydrophobicContact CB-CG 4.37Å; F34-L299 HydrophobicContact CD1-CD1 3.85Å; F34-L299 HydrophobicContact CD1-CG 4.17Å; F34-L299 HydrophobicContact CD2-CD1 4Å; F34-L299 HydrophobicContact CG-CD1 3.51Å; F34-L299 HydrophobicContact CG-CG 4.32Å; S296-L299 WeakPolarHBondContact CB-O 3.42Å; S296-L299 WeakPolarHBondContact O-CB 3.3Å; S296-L299 WeakPolarHBondContact O-CG 3.24Å; S296-L299 PolarHBondContact O-N 3Å; S296-L299 VanDerWaalsContact O-N 3.13Å; S296-L299 PolarHBondContact OG-O 2.92Å; G297-L299 PolarHBondContact O-N 2.63Å; L299-D308 HydrophobicContact CB-CB 4.33Å; L299-D308 HydrophobicContact CD1-CB 4.37Å; L299-D308 HydrophobicContact CD2-CB 4.32Å; L299-R312 HydrophobicContact CD1-CB 3.87Å; L299-R312 HydrophobicContact CD1-CG 4.23Å; L299-P436 HydrophobicContact CD2-CB 4.24Å |
| 300 | R | 98.7 | Very high | 98.6 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -81.6 | 136.2 | -173.6 | -156.8 | 175.3 | -173.5 | -172.4 | -8.2 | 112.6 | Y307 G309 D412 D414 S437 E438 | R300-Y307 HydrophobicContact CB-CD1 4.43Å; R300-Y307 HydrophobicContact CB-CG 4.42Å; R300-Y307 HydrophobicContact CG-CD1 4.46Å; R300-Y307 WeakPolarHBondContact O-CB 3.4Å; R300-G309 WeakPolarHBondContact O-CA 3.4Å; R300-G309 PolarHBondContact O-N 2.95Å; R300-D412 IonicContact CZ-OD1 3.3Å; R300-D412 IonicContact CZ-OD2 3.17Å; R300-D412 IonicContact NE-OD2 3.08Å; R300-D412 PolarHBondContact NE-OD2 3.17Å; R300-D412 IonicContact NH2-OD1 3Å; R300-D412 PolarHBondContact NH2-OD1 3.08Å; R300-D412 IonicContact NH2-OD2 2.68Å; R300-D412 PolarHBondContact NH2-OD2 3.1Å; R300-D412 VanDerWaalsContact NH2-OD2 3.1Å; R300-D414 IonicContact CZ-OD2 2.72Å; R300-D414 IonicContact NH1-OD2 3.72Å; R300-D414 IonicContact NH2-OD2 2.63Å; R300-D414 PolarHBondContact NH2-OD2 3.35Å; R300-S437 WeakPolarHBondContact CB-O 3.37Å; R300-S437 WeakPolarHBondContact CD-O 3.37Å; R300-E438 PolarHBondContact NH1-O 3.32Å |
| 301 | C | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.034 | 13% | 0.132 | C | C | . | . | trans | 55.3 | -161 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 114.2 | L287 S296 T305 Y307 G309 C415 | L287-C301 VanDerWaalsContact CD1-C 3.43Å; S296-C301 VanDerWaalsContact CB-O 3.27Å; S296-C301 WeakPolarHBondContact CB-O 3.36Å; S296-C301 PolarHBondContact OG-O 2.99Å; C301-T305 HydrophobicContact CB-CG2 4.09Å; C301-T305 WeakPolarHBondContact CB-OG1 3.45Å; C301-Y307 HydrophobicContact CB-CD2 3.92Å; C301-Y307 HydrophobicContact CB-CG 4.38Å; C301-Y307 WeakPolarHBondContact SG-CD2 3.37Å; C301-G309 CarbonylContact O-C 3.3Å; C301-G309 WeakPolarHBondContact O-CA 3.35Å; C301-C415 WeakPolarHBondContact CA-SG 3.48Å; C301-C415 HydrophobicContact CB-CB 3.74Å; C301-C415 WeakPolarHBondContact CB-SG 3.5Å; C301-C415 WeakPolarHBondContact SG-CA 3.3Å; C301-C415 WeakPolarHBondContact SG-CB 3.48Å; C301-C415 CovalentContact SG-SG 2.04Å; C301-C415 PolarHBondContact SG-SG 2.91Å | ||
| 302 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -153.7 | -149.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T305 G309 G310 S407 | G302-T305 PolarHBondContact O-N 3.04Å; G302-T305 PolarHBondContact O-OG1 3.34Å; G302-G309 WeakPolarHBondContact CA-O 3.5Å; G302-G310 VanDerWaalsContact C-CA 3.4Å; G302-G310 WeakPolarHBondContact O-CA 3.45Å; G302-S407 VanDerWaalsContact CA-OG 3.26Å; G302-S407 WeakPolarHBondContact CA-OG 3.39Å; G302-S407 PolarHBondContact N-OG 3.29Å; G302-S407 PolarHBondContact O-OG 2.89Å | ||
| 303 | K | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 13.4 Ų | 13.4 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 139.9 | 178.1 | -173.1 | 176.4 | -173.8 | 168.9 | 0 | 111.9 | D31 P68 V69 H230 G284 P285 E286 T305 H406 S407 | D31-K303 WeakPolarHBondContact OD1-CD 3.47Å; D31-K303 VanDerWaalsContact OD1-CE 3.31Å; D31-K303 WeakPolarHBondContact OD1-CE 3.37Å; D31-K303 IonicContact OD1-NZ 2.7Å; D31-K303 PolarHBondContact OD1-NZ 2.98Å; D31-K303 IonicContact OD2-NZ 3.97Å; D31-K303 PolarHBondContact OD2-NZ 3.02Å; P68-K303 WeakPolarHBondContact O-CG 3.36Å; V69-K303 HydrophobicContact CG1-CG 4.38Å; H230-K303 PolarHBondContact NE2-NZ 3.46Å; G284-K303 WeakPolarHBondContact O-CB 3.15Å; P285-K303 WeakPolarHBondContact O-CB 3.38Å; P285-K303 PolarHBondContact O-N 3.13Å; E286-K303 HydrophobicContact CB-CB 4.44Å; E286-K303 HydrophobicContact CB-CD 3.9Å; E286-K303 HydrophobicContact CG-CD 4.18Å; K303-T305 VanDerWaalsContact C-N 3.34Å; K303-T305 PolarHBondContact O-N 3.34Å; K303-H406 HydrophobicContact CB-CB 3.85Å; K303-H406 HydrophobicContact CD-CB 4.18Å; K303-H406 HydrophobicContact CG-CB 3.87Å; K303-H406 WeakPolarHBondContact O-CB 3.24Å; K303-S407 PolarHBondContact O-N 2.96Å; K303-S407 PolarHBondContact O-OG 2.68Å |
| 304 | G | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 13 Ų | 13 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -8.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P68 | P68-G304 PolarHBondContact O-N 3.02Š|
| 305 | T | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -111.7 | 156.4 | -178.4 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | P68 C301 G302 K303 Y307 A404 S407 | P68-T305 WeakPolarHBondContact CB-O 3.33Å; C301-T305 HydrophobicContact CB-CG2 4.09Å; C301-T305 WeakPolarHBondContact CB-OG1 3.45Å; G302-T305 PolarHBondContact O-N 3.04Å; G302-T305 PolarHBondContact O-OG1 3.34Å; K303-T305 VanDerWaalsContact C-N 3.34Å; K303-T305 PolarHBondContact O-N 3.34Å; T305-Y307 VanDerWaalsContact C-N 3.33Å; T305-A404 HydrophobicContact CG2-CB 3.82Å; T305-S407 WeakPolarHBondContact CG2-OG 3.45Å |
| 306 | T | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.018 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -94.1 | 10.9 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | M311 F376 Y377 F388 K396 | T306-M311 HydrophobicContact CG2-SD 4.04Å; T306-F376 HydrophobicContact CG2-CB 4.17Å; T306-Y377 WeakPolarHBondContact CG2-O 3.39Å; T306-F388 HydrophobicContact CG2-CB 4.02Å; T306-K396 WeakPolarHBondContact O-CE 3.46Å; T306-K396 PolarHBondContact O-NZ 2.71Å |
| 307 | Y | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 9 Ų | 9 | 2% | 0.024 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -69.8 | 159.9 | 163.7 | -66.7 | -70.5 | 0 | 0 | 0 | 110.3 | R300 C301 T305 G309 G310 H398 D414 E438 | R300-Y307 HydrophobicContact CB-CD1 4.43Å; R300-Y307 HydrophobicContact CB-CG 4.42Å; R300-Y307 HydrophobicContact CG-CD1 4.46Å; R300-Y307 WeakPolarHBondContact O-CB 3.4Å; C301-Y307 HydrophobicContact CB-CD2 3.92Å; C301-Y307 HydrophobicContact CB-CG 4.38Å; C301-Y307 WeakPolarHBondContact SG-CD2 3.37Å; T305-Y307 VanDerWaalsContact C-N 3.33Å; Y307-G309 PolarHBondContact O-N 2.83Å; Y307-G310 PolarHBondContact O-N 2.93Å; Y307-H398 AromaticContact CD1-CE1 3.74Å; Y307-H398 AromaticContact CE1-CE1 3.95Å; Y307-D414 HydrophobicContact CE2-CB 4.48Å; Y307-E438 WeakPolarHBondContact CA-OE2 3.34Å |
| 308 | D | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63 | -29.7 | -174.2 | -87.6 | 15.8 | 0 | 0 | 0 | 112.9 | Y64 L299 G310 M311 R312 K396 E438 | Y64-D308 PolarHBondContact OH-OD2 2.68Å; L299-D308 HydrophobicContact CB-CB 4.33Å; L299-D308 HydrophobicContact CD1-CB 4.37Å; L299-D308 HydrophobicContact CD2-CB 4.32Å; D308-G310 PolarHBondContact O-N 2.85Å; D308-M311 PolarHBondContact O-N 3.28Å; D308-R312 HydrophobicContact CB-CB 4.28Å; D308-R312 WeakPolarHBondContact O-CA 3.08Å; D308-R312 WeakPolarHBondContact O-CB 3.39Å; D308-R312 PolarHBondContact O-N 3.09Å; D308-R312 IonicContact OD2-CZ 2.62Å; D308-R312 IonicContact OD2-NE 2.84Å; D308-R312 PolarHBondContact OD2-NE 3.24Å; D308-R312 IonicContact OD2-NH2 3.92Å; D308-R312 PolarHBondContact OD2-NH2 2.77Å; D308-K396 IonicContact OD1-NZ 3.49Å; D308-K396 PolarHBondContact OD1-NZ 2.87Å; D308-E438 PolarHBondContact N-OE2 3.29Å |
| 309 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67 | -16.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G284 P285 R300 C301 G302 Y307 | G284-G309 VanDerWaalsContact CA-O 3.31Å; G284-G309 WeakPolarHBondContact CA-O 3.42Å; P285-G309 VanDerWaalsContact CD-O 3.25Å; P285-G309 WeakPolarHBondContact CD-O 3.07Å; R300-G309 WeakPolarHBondContact O-CA 3.4Å; R300-G309 PolarHBondContact O-N 2.95Å; C301-G309 CarbonylContact O-C 3.3Å; C301-G309 WeakPolarHBondContact O-CA 3.35Å; G302-G309 WeakPolarHBondContact CA-O 3.5Å; Y307-G309 PolarHBondContact O-N 2.83Å |
| 310 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -94 | -16.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G284 G302 Y307 D308 | G284-G310 PolarHBondContact N-O 3.11Å; G284-G310 VanDerWaalsContact N-O 3.09Å; G302-G310 VanDerWaalsContact C-CA 3.4Å; G302-G310 WeakPolarHBondContact O-CA 3.45Å; Y307-G310 PolarHBondContact O-N 2.93Å; D308-G310 PolarHBondContact O-N 2.85Å |
| 311 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -140.7 | -5 | -170.5 | -63.5 | -176.4 | 58.2 | 0 | 0 | 115.9 | Y64 C65 T66 P68 T306 D308 E313 F376 | Y64-M311 CarbonylContact C-O 3.56Å; Y64-M311 WeakPolarHBondContact CA-O 3.24Å; Y64-M311 WeakPolarHBondContact CD1-O 3.31Å; C65-M311 PolarHBondContact N-O 2.98Å; C65-M311 WeakPolarHBondContact O-CE 3.37Å; C65-M311 VanDerWaalsContact SG-CA 3.55Å; T66-M311 WeakPolarHBondContact O-CE 3.14Å; P68-M311 HydrophobicContact CB-CG 3.8Å; P68-M311 HydrophobicContact CB-SD 4.25Å; P68-M311 HydrophobicContact CG-SD 4.36Å; T306-M311 HydrophobicContact CG2-SD 4.04Å; D308-M311 PolarHBondContact O-N 3.28Å; M311-E313 VanDerWaalsContact C-OE1 3.25Å; M311-E313 WeakPolarHBondContact CA-OE1 3.44Å; M311-F376 HydrophobicContact CB-CD1 4.21Å; M311-F376 HydrophobicContact CB-CE1 4.21Å; M311-F376 HydrophobicContact CE-CB 4.32Å; M311-F376 HydrophobicContact CE-CD1 3.62Å; M311-F376 HydrophobicContact CE-CE1 4.37Å; M311-F376 HydrophobicContact CE-CG 4.33Å; M311-F376 HydrophobicContact SD-CB 4.26Å; M311-F376 HydrophobicContact SD-CD1 3.65Å; M311-F376 HydrophobicContact SD-CG 4.44Å |
| 312 | R | 98.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.3 | 172.6 | -169.6 | -164.7 | -69.7 | -145.2 | 4.9 | 108.2 | F34 T61 D62 F63 Y64 L299 D308 | F34-R312 HydrophobicContact CD2-CG 4.13Å; F34-R312 HydrophobicContact CE2-CG 4.24Å; T61-R312 WeakPolarHBondContact O-CD 3.37Å; T61-R312 PolarHBondContact O-NH1 3.35Å; T61-R312 VanDerWaalsContact O-NH1 3.1Å; D62-R312 IonicContact OD1-CZ 2.71Å; D62-R312 IonicContact OD1-NH1 2.68Å; D62-R312 PolarHBondContact OD1-NH1 3.24Å; D62-R312 VanDerWaalsContact OD1-NH1 3.08Å; D62-R312 IonicContact OD1-NH2 3.77Å; F63-R312 CarbonylContact O-C 3.56Å; F63-R312 WeakPolarHBondContact O-CA 3.35Å; F63-R312 WeakPolarHBondContact O-CG 3.14Å; Y64-R312 HydrophobicContact CD1-CB 4.01Å; Y64-R312 HydrophobicContact CD1-CG 4.38Å; Y64-R312 HydrophobicContact CE1-CB 3.7Å; Y64-R312 HydrophobicContact CE1-CG 3.98Å; Y64-R312 HydrophobicContact CE2-CG 4.16Å; Y64-R312 PolarHBondContact OH-NE 3.49Å; Y64-R312 PolarHBondContact OH-NH2 3.33Å; L299-R312 HydrophobicContact CD1-CB 3.87Å; L299-R312 HydrophobicContact CD1-CG 4.23Å; D308-R312 HydrophobicContact CB-CB 4.28Å; D308-R312 WeakPolarHBondContact O-CA 3.08Å; D308-R312 WeakPolarHBondContact O-CB 3.39Å; D308-R312 PolarHBondContact O-N 3.09Å; D308-R312 IonicContact OD2-CZ 2.62Å; D308-R312 IonicContact OD2-NE 2.84Å; D308-R312 PolarHBondContact OD2-NE 3.24Å; D308-R312 IonicContact OD2-NH2 3.92Å; D308-R312 PolarHBondContact OD2-NH2 2.77Å |
| 313 | E | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 153.6 | -167.5 | -53.2 | -48.3 | 141.5 | 0 | 0 | 111.6 | F63 C65 A281 N283 G284 M311 A315 | F63-E313 HydrophobicContact CD1-CB 4.48Å; F63-E313 PolarHBondContact O-N 2.99Å; C65-E313 HydrophobicContact CB-CG 4.2Å; A281-E313 HydrophobicContact CB-CB 4.32Å; A281-E313 HydrophobicContact CB-CG 4.45Å; N283-E313 VanDerWaalsContact C-OE2 3.27Å; N283-E313 WeakPolarHBondContact CA-OE1 3.05Å; G284-E313 PolarHBondContact N-OE1 2.85Å; G284-E313 PolarHBondContact N-OE2 3.23Å; M311-E313 VanDerWaalsContact C-OE1 3.25Å; M311-E313 WeakPolarHBondContact CA-OE1 3.44Å; E313-A315 PolarHBondContact O-N 3.48Å |
| 314 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.2 | 168.5 | 29.7 | -30.6 | 0 | 0 | 0 | 108.6 | L32 L37 Y40 F279 T280 | L32-P314 HydrophobicContact CD2-CG 4.11Å; L37-P314 HydrophobicContact CD1-CB 3.97Å; L37-P314 HydrophobicContact CD1-CG 4.46Å; L37-P314 HydrophobicContact CG-CB 4.43Å; Y40-P314 HydrophobicContact CD1-CB 4.21Å; Y40-P314 HydrophobicContact CD2-CB 4.13Å; Y40-P314 HydrophobicContact CE1-CB 3.9Å; Y40-P314 HydrophobicContact CE2-CB 3.78Å; Y40-P314 HydrophobicContact CG-CB 4.32Å; F279-P314 HydrophobicContact CE1-CG 4.35Å; T280-P314 VanDerWaalsContact CA-O 3.25Å; T280-P314 WeakPolarHBondContact CA-O 3.47Å; T280-P314 PolarHBondContact OG1-O 3.48Å |
| 315 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y40 F60 F63 F278 F279 E313 | Y40-A315 PolarHBondContact OH-N 3.39Å; Y40-A315 PolarHBondContact OH-O 2.96Å; F60-A315 HydrophobicContact CB-CB 4.1Å; F60-A315 HydrophobicContact CD2-CB 4.04Å; F60-A315 HydrophobicContact CG-CB 4.24Å; F60-A315 PolarHBondContact N-O 3.14Å; F63-A315 HydrophobicContact CB-CB 3.64Å; F63-A315 HydrophobicContact CD1-CB 3.63Å; F63-A315 HydrophobicContact CD2-CB 3.77Å; F63-A315 HydrophobicContact CE1-CB 4.19Å; F63-A315 HydrophobicContact CE2-CB 4.33Å; F63-A315 HydrophobicContact CG-CB 3.39Å; F278-A315 HydrophobicContact CE1-CB 4.18Å; F278-A315 HydrophobicContact CZ-CB 4.46Å; F279-A315 CarbonylContact O-C 3.39Å; F279-A315 VanDerWaalsContact O-CA 3.22Å; F279-A315 WeakPolarHBondContact O-CA 3.44Å; E313-A315 PolarHBondContact O-N 3.48Å |
| 316 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.3 | -179.1 | -56.7 | 165 | 0 | 0 | 0 | 108.7 | L37 L50 L53 A54 L58 F278 F279 | L37-I316 HydrophobicContact CD1-CD1 4.28Å; L50-I316 HydrophobicContact CD2-CD1 4.34Å; L53-I316 HydrophobicContact CB-CG2 4.13Å; A54-I316 HydrophobicContact CB-CD1 3.81Å; A54-I316 HydrophobicContact CB-CG1 4.19Å; L58-I316 WeakPolarHBondContact O-CA 3.36Å; F278-I316 CarbonylContact C-O 3.59Å; F278-I316 WeakPolarHBondContact CA-O 3.49Å; F279-I316 HydrophobicContact CB-CB 4.35Å; F279-I316 HydrophobicContact CD1-CD1 4.32Å; F279-I316 PolarHBondContact N-O 3.01Å; F279-I316 PolarHBondContact O-N 2.75Å |
| 317 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G57 L58 F60 F278 I323 L363 | G57-A317 CarbonylContact C-O 3.38Å; G57-A317 VanDerWaalsContact CA-O 3.31Å; G57-A317 WeakPolarHBondContact CA-O 3.35Å; L58-A317 PolarHBondContact N-O 3.26Å; L58-A317 PolarHBondContact O-N 2.94Å; F60-A317 HydrophobicContact CE2-CB 3.9Å; F60-A317 HydrophobicContact CZ-CB 4.45Å; F278-A317 HydrophobicContact CD2-CB 3.77Å; F278-A317 HydrophobicContact CE2-CB 3.78Å; A317-I323 HydrophobicContact CB-CD1 3.82Å; A317-L363 HydrophobicContact CB-CD2 3.64Å |
| 318 | F | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 29 Ų | 29 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.8 | -175.3 | 178.7 | -101 | 0 | 0 | 0 | 110.7 | L53 I272 V277 P320 | L53-F318 HydrophobicContact CD2-CB 4.14Å; L53-F318 HydrophobicContact CD2-CD1 3.55Å; L53-F318 HydrophobicContact CD2-CD2 4.05Å; L53-F318 HydrophobicContact CD2-CE1 3.81Å; L53-F318 HydrophobicContact CD2-CE2 4.3Å; L53-F318 HydrophobicContact CD2-CG 3.66Å; L53-F318 HydrophobicContact CD2-CZ 4.15Å; I272-F318 HydrophobicContact CD1-CE1 4.04Å; I272-F318 HydrophobicContact CG1-CE1 4.27Å; V277-F318 HydrophobicContact CB-CB 4.26Å; V277-F318 HydrophobicContact CB-CD1 4.36Å; V277-F318 HydrophobicContact CG2-CD1 4.4Å; V277-F318 PolarHBondContact N-O 3.04Å; V277-F318 PolarHBondContact O-N 3.23Å; F318-P320 HydrophobicContact CD1-CG 4.21Å; F318-P320 HydrophobicContact CE1-CG 3.42Å; F318-P320 VanDerWaalsContact CE1-CG 3.42Å; F318-P320 HydrophobicContact CE2-CG 4.04Å; F318-P320 HydrophobicContact CZ-CG 3.33Å |
| 319 | W | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 8% | 0.076 | 21% | 0.207 | C | C | . | . | trans | -154 | 96.5 | 173.7 | -168.7 | -14.8 | 0 | 0 | 0 | 108.6 | P22 N273 L276 G321 V322 I323 L344 F364 | P22-W319 HydrophobicContact CB-CH2 3.39Å; P22-W319 HydrophobicContact CB-CZ2 3.72Å; P22-W319 HydrophobicContact CB-CZ3 4.28Å; P22-W319 HydrophobicContact CG-CH2 3.91Å; N273-W319 PolarHBondContact O-NE1 3.12Å; L276-W319 HydrophobicContact CB-CD2 4.35Å; L276-W319 HydrophobicContact CB-CE3 3.74Å; L276-W319 HydrophobicContact CB-CZ3 4.1Å; L276-W319 HydrophobicContact CD1-CB 4.44Å; L276-W319 HydrophobicContact CD1-CE3 4.21Å; L276-W319 HydrophobicContact CG-CE3 4.47Å; W319-G321 PolarHBondContact O-N 3.17Å; W319-V322 HydrophobicContact CB-CB 4.17Å; W319-V322 HydrophobicContact CD2-CB 3.9Å; W319-V322 HydrophobicContact CD2-CG1 4.04Å; W319-V322 HydrophobicContact CD2-CG2 4.02Å; W319-V322 HydrophobicContact CE3-CB 4.48Å; W319-V322 HydrophobicContact CE3-CG1 4.14Å; W319-V322 HydrophobicContact CG-CB 3.73Å; W319-V322 HydrophobicContact CG-CG1 4.34Å; W319-V322 HydrophobicContact CG-CG2 3.97Å; W319-V322 HydrophobicContact CZ2-CG2 4.38Å; W319-V322 PolarHBondContact O-N 2.83Å; W319-I323 HydrophobicContact CB-CB 4.34Å; W319-I323 HydrophobicContact CB-CD1 3.86Å; W319-I323 HydrophobicContact CB-CG1 3.93Å; W319-I323 PolarHBondContact O-N 3.43Å; W319-L344 HydrophobicContact CH2-CD2 4.48Å; W319-L344 HydrophobicContact CZ3-CD1 4.22Å; W319-L344 HydrophobicContact CZ3-CD2 4.05Å; W319-F364 AromaticContact CE3-CE1 3.91Å; W319-F364 HydrophobicContact CE3-CE1 3.91Å; W319-F364 AromaticContact CE3-CZ 3.87Å; W319-F364 HydrophobicContact CE3-CZ 3.87Å; W319-F364 HydrophobicContact CZ3-CE1 4.27Å; W319-F364 AromaticContact CZ3-CZ 3.77Å; W319-F364 HydrophobicContact CZ3-CZ 3.77Å | ||
| 320 | P | 96.8 | Very high | 98 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.7 | -173.9 | -30.2 | 38.4 | 0 | 0 | 0 | 113.2 | I272 F318 V322 | I272-P320 HydrophobicContact CG1-CG 4.03Å; F318-P320 HydrophobicContact CD1-CG 4.21Å; F318-P320 HydrophobicContact CE1-CG 3.42Å; F318-P320 VanDerWaalsContact CE1-CG 3.42Å; F318-P320 HydrophobicContact CE2-CG 4.04Å; F318-P320 HydrophobicContact CZ-CG 3.33Å; P320-V322 PolarHBondContact O-N 3.12Å |
| 321 | G | 92.8 | Very high | 98 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 93% | 0.928 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W319 | W319-G321 PolarHBondContact O-N 3.17Š|
| 322 | V | 96.4 | Very high | 98 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 33% | 0.333 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -56.8 | 179.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | W319 P320 F364 | W319-V322 HydrophobicContact CB-CB 4.17Å; W319-V322 HydrophobicContact CD2-CB 3.9Å; W319-V322 HydrophobicContact CD2-CG1 4.04Å; W319-V322 HydrophobicContact CD2-CG2 4.02Å; W319-V322 HydrophobicContact CE3-CB 4.48Å; W319-V322 HydrophobicContact CE3-CG1 4.14Å; W319-V322 HydrophobicContact CG-CB 3.73Å; W319-V322 HydrophobicContact CG-CG1 4.34Å; W319-V322 HydrophobicContact CG-CG2 3.97Å; W319-V322 HydrophobicContact CZ2-CG2 4.38Å; W319-V322 PolarHBondContact O-N 2.83Å; P320-V322 PolarHBondContact O-N 3.12Å; V322-F364 HydrophobicContact CG1-CD1 3.59Å; V322-F364 HydrophobicContact CG1-CE1 3.7Å; V322-F364 HydrophobicContact CG1-CG 4.19Å; V322-F364 HydrophobicContact CG1-CZ 4.36Å |
| 323 | I | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -82.1 | 126.8 | 174 | -67.7 | 174.4 | 0 | 0 | 0 | 108.6 | L58 L276 A317 W319 L363 F364 | L58-I323 HydrophobicContact CB-CG2 3.71Å; L276-I323 HydrophobicContact CD1-CD1 3.82Å; A317-I323 HydrophobicContact CB-CD1 3.82Å; W319-I323 HydrophobicContact CB-CB 4.34Å; W319-I323 HydrophobicContact CB-CD1 3.86Å; W319-I323 HydrophobicContact CB-CG1 3.93Å; W319-I323 PolarHBondContact O-N 3.43Å; I323-L363 HydrophobicContact CD1-CD2 4.34Å; I323-F364 HydrophobicContact CD1-CE1 4.08Å; I323-F364 HydrophobicContact CG1-CD1 3.75Å; I323-F364 HydrophobicContact CG1-CE1 3.6Å |
| 324 | R | 96.9 | Very high | 98 | Very high | 167 Ų | 167 | 37.2 Ų | 37.2 | 63% | 0.63 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -77.8 | 130.4 | 174.7 | -66.3 | -178.6 | -176.6 | -179.1 | 2.6 | 109.4 | G326 | R324-G326 PolarHBondContact O-N 3.27Š|
| 325 | P | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -54 | 137.4 | 174.4 | -26.5 | 33.4 | 0 | 0 | 0 | 112.5 | G57 | G57-P325 CarbonylContact O-C 3.58Å; G57-P325 VanDerWaalsContact O-CA 3.25Å; G57-P325 WeakPolarHBondContact O-CA 3.49Å |
| 326 | G | 97.9 | Very high | 98 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -171.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | G57 L58 R59 R324 | G57-G326 PolarHBondContact O-N 3.01Å; L58-G326 WeakPolarHBondContact CA-O 3.47Å; R59-G326 PolarHBondContact N-O 2.83Å; R324-G326 PolarHBondContact O-N 3.27Å |
| 327 | V | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.8 | 174.6 | -179 | 0 | 0 | 0 | 0 | 108.1 | R59 T61 | R59-V327 CarbonylContact O-C 3.51Å; R59-V327 VanDerWaalsContact O-CA 3.29Å; R59-V327 WeakPolarHBondContact O-CA 3.42Å; T61-V327 HydrophobicContact CG2-CG1 3.71Å |
| 328 | T | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.2 | 171.3 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | L58 R59 F60 T61 E330 L362 | L58-T328 HydrophobicContact CD1-CG2 4.3Å; L58-T328 HydrophobicContact CD2-CG2 3.93Å; L58-T328 HydrophobicContact CG-CG2 3.95Å; R59-T328 PolarHBondContact O-N 3.36Å; F60-T328 HydrophobicContact CB-CG2 4.32Å; F60-T328 HydrophobicContact CD1-CG2 3.43Å; F60-T328 VanDerWaalsContact CD1-CG2 3.43Å; F60-T328 HydrophobicContact CD2-CG2 4.4Å; F60-T328 HydrophobicContact CE1-CG2 3.75Å; F60-T328 HydrophobicContact CG-CG2 3.8Å; F60-T328 HydrophobicContact CZ-CG2 4.35Å; T61-T328 PolarHBondContact N-O 3.32Å; T61-T328 PolarHBondContact OG1-O 3.26Å; T328-E330 WeakPolarHBondContact OG1-CB 3.42Å; T328-E330 WeakPolarHBondContact OG1-CG 3.27Å; T328-E330 PolarHBondContact OG1-N 3.21Å; T328-E330 VanDerWaalsContact OG1-N 3.16Å; T328-L362 HydrophobicContact CG2-CD1 4.47Å |
| 329 | H | 97.9 | Very high | 98 | Very high | 130 Ų | 130 | 36.8 Ų | 36.8 | 60% | 0.602 | 22% | 0.217 | S | C | * | . | trans | -106.1 | 2.5 | 173.2 | -52.1 | -56.9 | 0 | 0 | 0 | 111.8 | T61 | T61-H329 WeakPolarHBondContact OG1-CA 3.23Å; T61-H329 PolarHBondContact OG1-ND1 3.17Å | ||
| 330 | E | 98.3 | Very high | 98 | Very high | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -65.7 | 138.8 | 174.4 | -62.6 | -69.3 | 146.6 | 0 | 0 | 109.6 | T328 L362 K368 S369 | T328-E330 WeakPolarHBondContact OG1-CB 3.42Å; T328-E330 WeakPolarHBondContact OG1-CG 3.27Å; T328-E330 PolarHBondContact OG1-N 3.21Å; T328-E330 VanDerWaalsContact OG1-N 3.16Å; E330-L362 HydrophobicContact CB-CD1 3.69Å; E330-L362 HydrophobicContact CB-CD2 4.21Å; E330-L362 HydrophobicContact CG-CD1 3.72Å; E330-K368 WeakPolarHBondContact OE1-CD 3.29Å; E330-K368 WeakPolarHBondContact OE1-CE 3.26Å; E330-K368 IonicContact OE1-NZ 3.79Å; E330-K368 PolarHBondContact OE1-NZ 3.4Å; E330-K368 WeakPolarHBondContact OE2-CD 3.25Å; E330-S369 PolarHBondContact OE2-N 2.63Å |
| 331 | M | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | trans | -71.4 | 132.6 | -178.5 | -164.3 | -175.4 | -47.7 | 0 | 0 | 110.5 | D62 Y64 S369 R371 M374 R391 G393 | D62-M331 WeakPolarHBondContact O-CA 3.05Å; Y64-M331 HydrophobicContact CD2-CG 4.32Å; Y64-M331 HydrophobicContact CE2-CG 4.36Å; M331-S369 WeakPolarHBondContact O-CB 3.38Å; M331-S369 PolarHBondContact O-OG 3.1Å; M331-R371 HydrophobicContact CB-CG 4.28Å; M331-R371 HydrophobicContact CG-CG 4.04Å; M331-R371 HydrophobicContact SD-CG 3.92Å; M331-M374 HydrophobicContact SD-CB 3.69Å; M331-R391 HydrophobicContact CE-CG 3.84Å; M331-G393 WeakPolarHBondContact CE-O 3.33Å | ||
| 332 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 166.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | F60 D62 F63 Y64 D336 M359 | F60-A332 HydrophobicContact CD1-CB 4.02Å; F60-A332 HydrophobicContact CE1-CB 3.95Å; D62-A332 PolarHBondContact O-N 2.82Å; F63-A332 CarbonylContact C-O 3.6Å; F63-A332 WeakPolarHBondContact CA-O 3.34Å; F63-A332 HydrophobicContact CD2-CB 3.64Å; F63-A332 HydrophobicContact CE2-CB 4.11Å; Y64-A332 PolarHBondContact N-O 2.94Å; A332-D336 WeakPolarHBondContact CA-OD2 3.45Å; A332-M359 HydrophobicContact CB-SD 3.79Å |
| 333 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.8 | -177.7 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | Y64 L335 D336 | Y64-S333 CarbonylContact O-C 3.36Å; Y64-S333 WeakPolarHBondContact O-CA 3.26Å; Y64-S333 VanDerWaalsContact O-CB 3.3Å; Y64-S333 WeakPolarHBondContact O-CB 3.34Å; Y64-S333 PolarHBondContact O-OG 3.43Å; S333-L335 PolarHBondContact O-N 3.5Å; S333-L335 VanDerWaalsContact O-N 3.16Å; S333-L335 PolarHBondContact OG-N 2.93Å; S333-D336 PolarHBondContact N-OD2 2.62Å; S333-D336 VanDerWaalsContact O-CB 3.27Å; S333-D336 WeakPolarHBondContact O-CB 3.2Å; S333-D336 PolarHBondContact O-N 2.93Å |
| 334 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -53.4 | -29.9 | 167.2 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | F28 F63 Y64 C65 L77 T280 D336 I337 | F28-T334 HydrophobicContact CE2-CG2 4.18Å; F63-T334 HydrophobicContact CE1-CG2 3.67Å; F63-T334 HydrophobicContact CZ-CG2 4.1Å; Y64-T334 PolarHBondContact O-N 3.01Å; C65-T334 HydrophobicContact CB-CG2 4.32Å; L77-T334 HydrophobicContact CD1-CG2 4.42Å; T280-T334 HydrophobicContact CG2-CG2 4.44Å; T334-D336 PolarHBondContact O-N 2.88Å; T334-I337 PolarHBondContact O-N 3.46Å |
| 335 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -57.4 | -31.4 | 173.6 | -70.7 | 168.8 | 0 | 0 | 0 | 113.2 | T66 R81 Y82 S333 I337 P339 D355 G356 | T66-L335 HydrophobicContact CG2-CD1 3.48Å; T66-L335 VanDerWaalsContact CG2-CD1 3.48Å; T66-L335 HydrophobicContact CG2-CD2 3.77Å; T66-L335 HydrophobicContact CG2-CG 3.37Å; R81-L335 VanDerWaalsContact C-CD2 3.41Å; Y82-L335 HydrophobicContact CD2-CD1 4Å; Y82-L335 HydrophobicContact CE1-CD1 4.32Å; Y82-L335 HydrophobicContact CE2-CD1 3.53Å; S333-L335 PolarHBondContact O-N 3.5Å; S333-L335 VanDerWaalsContact O-N 3.16Å; S333-L335 PolarHBondContact OG-N 2.93Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 PolarHBondContact O-N 3.4Å; L335-P339 VanDerWaalsContact O-CD 3.28Å; L335-P339 WeakPolarHBondContact O-CD 3.49Å; L335-D355 HydrophobicContact CD1-CB 4.05Å; L335-D355 HydrophobicContact CD2-CB 4.24Å; L335-G356 WeakPolarHBondContact O-CA 3.28Å |
| 336 | D | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -79.1 | -12.8 | -172.3 | -58.8 | -32.8 | 0 | 0 | 0 | 112.3 | A332 S333 T334 P339 T340 G356 F357 M359 R371 | A332-D336 WeakPolarHBondContact CA-OD2 3.45Å; S333-D336 PolarHBondContact N-OD2 2.62Å; S333-D336 VanDerWaalsContact O-CB 3.27Å; S333-D336 WeakPolarHBondContact O-CB 3.2Å; S333-D336 PolarHBondContact O-N 2.93Å; T334-D336 PolarHBondContact O-N 2.88Å; D336-P339 WeakPolarHBondContact O-CD 3.2Å; D336-P339 WeakPolarHBondContact O-CG 3.31Å; D336-T340 VanDerWaalsContact O-CB 3.26Å; D336-T340 WeakPolarHBondContact O-CB 3.4Å; D336-T340 PolarHBondContact O-N 2.78Å; D336-T340 VanDerWaalsContact O-N 3.16Å; D336-T340 PolarHBondContact O-OG1 3.31Å; D336-G356 VanDerWaalsContact OD1-CA 3.31Å; D336-G356 WeakPolarHBondContact OD1-CA 3.12Å; D336-F357 WeakPolarHBondContact CA-O 3.03Å; D336-F357 VanDerWaalsContact CB-O 3.26Å; D336-F357 WeakPolarHBondContact CB-O 3.38Å; D336-F357 PolarHBondContact OD1-N 2.81Å; D336-M359 HydrophobicContact CB-CE 3.82Å; D336-M359 HydrophobicContact CB-CG 3.71Å; D336-M359 HydrophobicContact CB-SD 3.66Å; D336-R371 IonicContact OD1-CZ 3.54Å; D336-R371 IonicContact OD1-NE 3.57Å; D336-R371 PolarHBondContact OD1-NE 3.05Å; D336-R371 IonicContact OD1-NH2 2.83Å; D336-R371 PolarHBondContact OD1-NH2 3.25Å; D336-R371 IonicContact OD2-CZ 3.41Å; D336-R371 IonicContact OD2-NE 2.69Å; D336-R371 PolarHBondContact OD2-NE 3.31Å; D336-R371 IonicContact OD2-NH2 2.62Å |
| 337 | I | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | -175.6 | -69.1 | 173.2 | 0 | 0 | 0 | 111.3 | L26 F63 L77 I108 F278 T280 T334 L335 T340 I341 M359 | L26-I337 HydrophobicContact CD1-CD1 4.15Å; L26-I337 HydrophobicContact CD2-CG2 4.25Å; F63-I337 HydrophobicContact CZ-CD1 4.11Å; L77-I337 HydrophobicContact CD1-CB 4.06Å; L77-I337 HydrophobicContact CD1-CD1 3.34Å; L77-I337 HydrophobicContact CD1-CG1 4.21Å; L77-I337 HydrophobicContact CD1-CG2 4.25Å; I108-I337 HydrophobicContact CD1-CG2 3.85Å; F278-I337 HydrophobicContact CD1-CD1 4.11Å; F278-I337 HydrophobicContact CE1-CD1 4.05Å; T280-I337 HydrophobicContact CG2-CD1 4.4Å; T334-I337 PolarHBondContact O-N 3.46Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 PolarHBondContact O-N 3.4Å; I337-T340 PolarHBondContact O-N 2.89Å; I337-I341 HydrophobicContact CG2-CD1 3.67Å; I337-I341 HydrophobicContact CG2-CG1 4.34Å; I337-I341 WeakPolarHBondContact O-CB 3.06Å; I337-I341 WeakPolarHBondContact O-CG1 3.48Å; I337-I341 PolarHBondContact O-N 3.15Å; I337-M359 HydrophobicContact CG1-CE 4.34Å |
| 338 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -56 | 178 | -178.4 | 154.6 | 0 | 0 | 0 | 112.9 | L78 I108 V111 T340 I341 A342 L349 L354 | L78-L338 WeakPolarHBondContact O-CD1 3.38Å; I108-L338 HydrophobicContact CD1-CB 4.37Å; I108-L338 HydrophobicContact CG1-CB 3.74Å; I108-L338 HydrophobicContact CG1-CD1 4.04Å; I108-L338 HydrophobicContact CG1-CG 3.99Å; V111-L338 HydrophobicContact CG2-CD1 4.3Å; V111-L338 HydrophobicContact CG2-CD2 4.47Å; V111-L338 HydrophobicContact CG2-CG 4.5Å; L338-T340 VanDerWaalsContact C-N 3.26Å; L338-T340 PolarHBondContact O-N 3.36Å; L338-I341 PolarHBondContact O-N 3.17Å; L338-A342 WeakPolarHBondContact O-CB 3.45Å; L338-A342 PolarHBondContact O-N 2.98Å; L338-L349 HydrophobicContact CD2-CD2 4.04Å; L338-L354 HydrophobicContact CD2-CD1 4.06Å; L338-L354 HydrophobicContact CD2-CD2 4.42Å |
| 339 | P | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | -178.4 | 22.4 | -32.2 | 0 | 0 | 0 | 112.9 | L335 D336 S343 L349 | L335-P339 VanDerWaalsContact O-CD 3.28Å; L335-P339 WeakPolarHBondContact O-CD 3.49Å; D336-P339 WeakPolarHBondContact O-CD 3.2Å; D336-P339 WeakPolarHBondContact O-CG 3.31Å; P339-S343 VanDerWaalsContact O-CB 3.3Å; P339-S343 WeakPolarHBondContact O-CB 3.29Å; P339-S343 PolarHBondContact O-N 3.4Å; P339-L349 HydrophobicContact CB-CD2 4.1Å |
| 340 | T | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 175 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | D336 I337 L338 A342 S343 L344 M359 L363 | D336-T340 VanDerWaalsContact O-CB 3.26Å; D336-T340 WeakPolarHBondContact O-CB 3.4Å; D336-T340 PolarHBondContact O-N 2.78Å; D336-T340 VanDerWaalsContact O-N 3.16Å; D336-T340 PolarHBondContact O-OG1 3.31Å; I337-T340 PolarHBondContact O-N 2.89Å; L338-T340 VanDerWaalsContact C-N 3.26Å; L338-T340 PolarHBondContact O-N 3.36Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 3.19Å; T340-S343 PolarHBondContact O-N 3.18Å; T340-L344 HydrophobicContact CG2-CD1 4.17Å; T340-L344 WeakPolarHBondContact O-CB 3.34Å; T340-L344 WeakPolarHBondContact O-CG 3Å; T340-L344 PolarHBondContact O-N 2.95Å; T340-M359 HydrophobicContact CG2-CB 4.12Å; T340-M359 HydrophobicContact CG2-CE 4.48Å; T340-M359 WeakPolarHBondContact OG1-CB 3.01Å; T340-M359 PolarHBondContact OG1-N 3.38Å; T340-L363 HydrophobicContact CG2-CD1 3.84Å |
| 341 | I | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.3 | -73.9 | 177 | 0 | 0 | 0 | 110.7 | F24 I108 L112 F221 I337 L338 S343 L344 A345 | F24-I341 HydrophobicContact CD1-CD1 4.47Å; F24-I341 HydrophobicContact CD1-CG1 3.97Å; F24-I341 HydrophobicContact CD1-CG2 4.36Å; F24-I341 HydrophobicContact CD2-CG2 3.94Å; F24-I341 HydrophobicContact CE1-CB 4.46Å; F24-I341 HydrophobicContact CE1-CG1 4.16Å; F24-I341 HydrophobicContact CE1-CG2 4.26Å; F24-I341 HydrophobicContact CE2-CG2 3.8Å; F24-I341 HydrophobicContact CG-CD1 4.48Å; F24-I341 HydrophobicContact CG-CG1 4.35Å; F24-I341 HydrophobicContact CG-CG2 4.21Å; F24-I341 HydrophobicContact CZ-CG2 3.97Å; I108-I341 HydrophobicContact CD1-CD1 4.42Å; I108-I341 HydrophobicContact CG2-CB 4.44Å; I108-I341 HydrophobicContact CG2-CD1 3.95Å; I108-I341 HydrophobicContact CG2-CG2 3.89Å; L112-I341 HydrophobicContact CD1-CG2 3.83Å; L112-I341 HydrophobicContact CD2-CG2 3.85Å; L112-I341 HydrophobicContact CG-CG2 4.09Å; F221-I341 HydrophobicContact CE2-CD1 4.39Å; I337-I341 HydrophobicContact CG2-CD1 3.67Å; I337-I341 HydrophobicContact CG2-CG1 4.34Å; I337-I341 WeakPolarHBondContact O-CB 3.06Å; I337-I341 WeakPolarHBondContact O-CG1 3.48Å; I337-I341 PolarHBondContact O-N 3.15Å; L338-I341 PolarHBondContact O-N 3.17Å; I341-S343 PolarHBondContact O-N 3.05Å; I341-L344 PolarHBondContact O-N 3.13Å; I341-A345 WeakPolarHBondContact O-CB 3.41Å; I341-A345 PolarHBondContact O-N 2.84Å |
| 342 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V111 L338 T340 L344 A345 G346 A347 L349 | V111-A342 HydrophobicContact CG1-CB 3.86Å; L338-A342 WeakPolarHBondContact O-CB 3.45Å; L338-A342 PolarHBondContact O-N 2.98Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 3.19Å; A342-L344 PolarHBondContact O-N 3.28Å; A342-A345 PolarHBondContact O-N 2.79Å; A342-G346 PolarHBondContact O-N 2.83Å; A342-A347 HydrophobicContact CB-CB 4.19Å; A342-A347 PolarHBondContact O-N 3.26Å; A342-L349 HydrophobicContact CB-CD2 3.48Å; A342-L349 VanDerWaalsContact CB-CD2 3.48Å |
| 343 | S | 98.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | P339 T340 I341 A345 G346 D358 | P339-S343 VanDerWaalsContact O-CB 3.3Å; P339-S343 WeakPolarHBondContact O-CB 3.29Å; P339-S343 PolarHBondContact O-N 3.4Å; T340-S343 PolarHBondContact O-N 3.18Å; I341-S343 PolarHBondContact O-N 3.05Å; S343-A345 PolarHBondContact O-N 2.88Å; S343-G346 PolarHBondContact O-N 2.75Å; S343-D358 VanDerWaalsContact CB-OD2 3.25Å; S343-D358 WeakPolarHBondContact CB-OD2 3.38Å; S343-D358 PolarHBondContact OG-OD2 2.93Å |
| 344 | L | 98.1 | Very high | 98.1 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 179.2 | -79.4 | 173.5 | 0 | 0 | 0 | 114.3 | P22 F24 L276 W319 T340 I341 A342 G346 T360 F364 | P22-L344 HydrophobicContact CG-CB 4.35Å; F24-L344 HydrophobicContact CE1-CB 3.85Å; F24-L344 HydrophobicContact CE1-CD1 3.94Å; F24-L344 HydrophobicContact CZ-CB 3.75Å; L276-L344 HydrophobicContact CD2-CD1 3.64Å; W319-L344 HydrophobicContact CH2-CD2 4.48Å; W319-L344 HydrophobicContact CZ3-CD1 4.22Å; W319-L344 HydrophobicContact CZ3-CD2 4.05Å; T340-L344 HydrophobicContact CG2-CD1 4.17Å; T340-L344 WeakPolarHBondContact O-CB 3.34Å; T340-L344 WeakPolarHBondContact O-CG 3Å; T340-L344 PolarHBondContact O-N 2.95Å; I341-L344 PolarHBondContact O-N 3.13Å; A342-L344 PolarHBondContact O-N 3.28Å; L344-G346 VanDerWaalsContact C-N 3.32Å; L344-T360 HydrophobicContact CD2-CG2 4.13Å; L344-T360 HydrophobicContact CG-CG2 4.03Å; L344-F364 HydrophobicContact CD1-CE2 4.45Å; L344-F364 HydrophobicContact CD1-CZ 4.11Å; L344-F364 HydrophobicContact CD2-CE2 3.5Å; L344-F364 VanDerWaalsContact CD2-CE2 3.5Å; L344-F364 HydrophobicContact CD2-CZ 3.79Å; L344-F364 HydrophobicContact CG-CE2 4.39Å |
| 345 | A | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.6 | -12 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F24 L112 L115 Y117 I341 A342 S343 A347 | F24-A345 HydrophobicContact CE2-CB 4.06Å; F24-A345 HydrophobicContact CZ-CB 4.21Å; L112-A345 HydrophobicContact CD2-CB 3.44Å; L112-A345 VanDerWaalsContact CD2-CB 3.44Å; L115-A345 HydrophobicContact CD1-CB 3.91Å; L115-A345 VanDerWaalsContact CD1-O 3.32Å; L115-A345 WeakPolarHBondContact CD1-O 3.04Å; Y117-A345 HydrophobicContact CE2-CB 4.06Å; I341-A345 WeakPolarHBondContact O-CB 3.41Å; I341-A345 PolarHBondContact O-N 2.84Å; A342-A345 PolarHBondContact O-N 2.79Å; S343-A345 PolarHBondContact O-N 2.88Å; A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 HydrophobicContact CB-CB 4.35Å |
| 346 | G | 97.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 63% | 0.629 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 25.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A342 S343 L344 | A342-G346 PolarHBondContact O-N 2.83Å; S343-G346 PolarHBondContact O-N 2.75Å; L344-G346 VanDerWaalsContact C-N 3.32Å |
| 347 | A | 97.7 | Very high | 98 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -80 | 151.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V111 L115 A342 A345 | V111-A347 HydrophobicContact CG1-CB 3.44Å; V111-A347 VanDerWaalsContact CG1-CB 3.44Å; L115-A347 HydrophobicContact CD1-CB 3.58Å; L115-A347 HydrophobicContact CG-CB 4.48Å; A342-A347 HydrophobicContact CB-CB 4.19Å; A342-A347 PolarHBondContact O-N 3.26Å; A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 HydrophobicContact CB-CB 4.35Å |
| 348 | K | 97.6 | Very high | 98 | Very high | 197 Ų | 197 | 47 Ų | 47 | 86% | 0.857 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 133.5 | 170.8 | -64.1 | -174.9 | -178.9 | 178.5 | 0 | 109.2 | ||
| 349 | L | 98.2 | Very high | 98 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 146.5 | 170.3 | -63.9 | 175 | 0 | 0 | 0 | 110.3 | L338 P339 A342 L354 | L338-L349 HydrophobicContact CD2-CD2 4.04Å; P339-L349 HydrophobicContact CB-CD2 4.1Å; A342-L349 HydrophobicContact CB-CD2 3.48Å; A342-L349 VanDerWaalsContact CB-CD2 3.48Å; L349-L354 HydrophobicContact CB-CD1 4.13Å; L349-L354 HydrophobicContact CD1-CD1 4.12Å; L349-L354 HydrophobicContact CD2-CD1 3.84Å; L349-L354 HydrophobicContact CG-CD1 4.25Å |
| 350 | P | 96.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 147.5 | 175.1 | 27.4 | -35.8 | 0 | 0 | 0 | 110.7 | T106 V352 L354 | T106-P350 HydrophobicContact CG2-CB 4.13Å; P350-V352 HydrophobicContact CB-CG2 3.97Å; P350-V352 HydrophobicContact CG-CG2 3.88Å; P350-V352 PolarHBondContact O-N 2.99Å; P350-L354 HydrophobicContact CG-CD1 4.45Å; P350-L354 HydrophobicContact CG-CD2 4.03Å |
| 351 | P | 96.7 | Very high | 97.8 | Very high | 138 Ų | 138 | 51.5 Ų | 51.5 | 90% | 0.896 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -79.2 | 50.6 | -177.6 | 35.4 | -37.6 | 0 | 0 | 0 | 111.9 | ||
| 352 | V | 96.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -127.6 | 164.1 | 179 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | P350 L354 | P350-V352 HydrophobicContact CB-CG2 3.97Å; P350-V352 HydrophobicContact CG-CG2 3.88Å; P350-V352 PolarHBondContact O-N 2.99Å; V352-L354 HydrophobicContact CG2-CD2 4.11Å; V352-L354 PolarHBondContact O-N 3.34Å |
| 353 | I | 96.5 | Very high | 97.6 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | -66.2 | 117.1 | 169.1 | -62.1 | 172.4 | 0 | 0 | 0 | 107.5 | R81 | R81-I353 VanDerWaalsContact CG-O 3.24Å; R81-I353 WeakPolarHBondContact CG-O 3.32Å; R81-I353 PolarHBondContact NH1-O 2.69Å | ||
| 354 | L | 98.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | trans | -94.7 | 144.8 | 167 | -65.4 | 179.1 | 0 | 0 | 0 | 109.1 | T79 R81 L338 L349 P350 V352 | T79-L354 WeakPolarHBondContact O-CD2 3.32Å; R81-L354 HydrophobicContact CG-CD2 4.02Å; L338-L354 HydrophobicContact CD2-CD1 4.06Å; L338-L354 HydrophobicContact CD2-CD2 4.42Å; L349-L354 HydrophobicContact CB-CD1 4.13Å; L349-L354 HydrophobicContact CD1-CD1 4.12Å; L349-L354 HydrophobicContact CD2-CD1 3.84Å; L349-L354 HydrophobicContact CG-CD1 4.25Å; P350-L354 HydrophobicContact CG-CD1 4.45Å; P350-L354 HydrophobicContact CG-CD2 4.03Å; V352-L354 HydrophobicContact CG2-CD2 4.11Å; V352-L354 PolarHBondContact O-N 3.34Å | ||
| 355 | D | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | trans | -105.1 | -0.1 | 176.7 | -55.6 | -69.6 | 0 | 0 | 0 | 112 | G80 R81 Y82 R85 L335 R371 | G80-D355 PolarHBondContact O-N 2.7Å; R81-D355 WeakPolarHBondContact CA-OD2 3.35Å; Y82-D355 HydrophobicContact CD2-CB 3.56Å; Y82-D355 HydrophobicContact CE2-CB 3.91Å; Y82-D355 PolarHBondContact N-OD2 3.24Å; R85-D355 VanDerWaalsContact CD-OD2 3.26Å; R85-D355 WeakPolarHBondContact CD-OD2 3.08Å; R85-D355 IonicContact CZ-OD1 2.93Å; R85-D355 IonicContact CZ-OD2 3.79Å; R85-D355 VanDerWaalsContact NE-CG 3.32Å; R85-D355 IonicContact NE-OD1 3.6Å; R85-D355 PolarHBondContact NE-OD1 3.03Å; R85-D355 IonicContact NE-OD2 3.81Å; R85-D355 PolarHBondContact NE-OD2 3.14Å; R85-D355 IonicContact NH2-OD1 3.1Å; R85-D355 PolarHBondContact NH2-OD1 3.25Å; L335-D355 HydrophobicContact CD1-CB 4.05Å; L335-D355 HydrophobicContact CD2-CB 4.24Å; D355-R371 PolarHBondContact O-NH2 3Å | ||
| 356 | G | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | trans | -95 | 160.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G80 L335 D336 | G80-G356 PolarHBondContact O-N 3.42Å; L335-G356 WeakPolarHBondContact O-CA 3.28Å; D336-G356 VanDerWaalsContact OD1-CA 3.31Å; D336-G356 WeakPolarHBondContact OD1-CA 3.12Å | ||
| 357 | F | 98.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 59 Ų | 59 | 37% | 0.373 | 31% | 0.307 | S | S | . | . | trans | -122.9 | 151 | 176.4 | -56.1 | -81.5 | 0 | 0 | 0 | 111.3 | D336 M359 K370 R371 | D336-F357 WeakPolarHBondContact CA-O 3.03Å; D336-F357 VanDerWaalsContact CB-O 3.26Å; D336-F357 WeakPolarHBondContact CB-O 3.38Å; D336-F357 PolarHBondContact OD1-N 2.81Å; F357-M359 PolarHBondContact O-N 2.8Å; F357-K370 HydrophobicContact CB-CB 3.95Å; F357-K370 HydrophobicContact CD1-CB 4.03Å; F357-K370 HydrophobicContact CG-CB 4.03Å; F357-R371 HydrophobicContact CD2-CB 3.96Å; F357-R371 HydrophobicContact CE2-CB 4.28Å | ||
| 358 | D | 98.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -70.1 | 122.1 | 172.3 | 178.8 | 9 | 0 | 0 | 0 | 111.3 | S343 T360 | S343-D358 VanDerWaalsContact CB-OD2 3.25Å; S343-D358 WeakPolarHBondContact CB-OD2 3.38Å; S343-D358 PolarHBondContact OG-OD2 2.93Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.31Å; D358-T360 PolarHBondContact OD1-N 2.82Å; D358-T360 PolarHBondContact OD1-OG1 3.43Å; D358-T360 PolarHBondContact OD2-OG1 3.17Å | ||
| 359 | M | 98.4 | Very high | 96 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | trans | -92.2 | 4.2 | 179.2 | -60 | -174.9 | -71.5 | 0 | 0 | 114.3 | F278 A332 D336 I337 T340 F357 D361 L362 L363 | F278-M359 HydrophobicContact CE2-CE 4.19Å; F278-M359 HydrophobicContact CZ-CE 4.4Å; A332-M359 HydrophobicContact CB-SD 3.79Å; D336-M359 HydrophobicContact CB-CE 3.82Å; D336-M359 HydrophobicContact CB-CG 3.71Å; D336-M359 HydrophobicContact CB-SD 3.66Å; I337-M359 HydrophobicContact CG1-CE 4.34Å; T340-M359 HydrophobicContact CG2-CB 4.12Å; T340-M359 HydrophobicContact CG2-CE 4.48Å; T340-M359 WeakPolarHBondContact OG1-CB 3.01Å; T340-M359 PolarHBondContact OG1-N 3.38Å; F357-M359 PolarHBondContact O-N 2.8Å; M359-D361 VanDerWaalsContact C-N 3.29Å; M359-D361 PolarHBondContact O-N 2.04Å; M359-L362 HydrophobicContact CB-CB 4.5Å; M359-L362 WeakPolarHBondContact O-CB 3.39Å; M359-L362 PolarHBondContact O-N 2.96Å; M359-L363 HydrophobicContact CB-CD1 4.18Å; M359-L363 HydrophobicContact CB-CG 4.14Å; M359-L363 WeakPolarHBondContact O-CG 3.41Å; M359-L363 PolarHBondContact O-N 2.9Å | ||
| 360 | T | 96.9 | Very high | 96 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -50.5 | -44.9 | -177.7 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | L344 D358 L363 F364 | L344-T360 HydrophobicContact CD2-CG2 4.13Å; L344-T360 HydrophobicContact CG-CG2 4.03Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.31Å; D358-T360 PolarHBondContact OD1-N 2.82Å; D358-T360 PolarHBondContact OD1-OG1 3.43Å; D358-T360 PolarHBondContact OD2-OG1 3.17Å; T360-L363 PolarHBondContact O-N 3.05Å; T360-F364 HydrophobicContact CG2-CE2 4.09Å; T360-F364 WeakPolarHBondContact O-CD2 3.19Å; T360-F364 PolarHBondContact O-N 3.08Å |
| 361 | D | 96 | Very high | 96 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.4 | -168.7 | 48.2 | 0 | 0 | 0 | 112.4 | M359 H365 K366 G367 | M359-D361 VanDerWaalsContact C-N 3.29Å; M359-D361 PolarHBondContact O-N 2.04Å; D361-H365 CarbonylContact O-C 3.46Å; D361-H365 WeakPolarHBondContact O-CA 3.23Å; D361-H365 WeakPolarHBondContact O-CB 3.32Å; D361-H365 PolarHBondContact O-N 2.73Å; D361-H365 WeakPolarHBondContact OD1-CB 3.48Å; D361-H365 IonicContact OD1-CD2 2.85Å; D361-H365 PolarHBondContact OD1-CD2 2.96Å; D361-H365 IonicContact OD1-CG 3.98Å; D361-K366 PolarHBondContact O-N 3.43Å; D361-G367 PolarHBondContact O-N 3.37Å; D361-G367 WeakPolarHBondContact OD2-CA 3.45Å |
| 362 | L | 96.8 | Very high | 96 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 174.1 | 171.7 | 60.4 | 0 | 0 | 0 | 111.4 | F60 T328 E330 M359 | F60-L362 HydrophobicContact CE1-CD2 3.85Å; T328-L362 HydrophobicContact CG2-CD1 4.47Å; E330-L362 HydrophobicContact CB-CD1 3.69Å; E330-L362 HydrophobicContact CB-CD2 4.21Å; E330-L362 HydrophobicContact CG-CD1 3.72Å; M359-L362 HydrophobicContact CB-CB 4.5Å; M359-L362 WeakPolarHBondContact O-CB 3.39Å; M359-L362 PolarHBondContact O-N 2.96Å |
| 363 | L | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | -173.8 | -69.3 | 175.8 | 0 | 0 | 0 | 112.9 | L58 F60 A317 I323 T340 M359 T360 | L58-L363 HydrophobicContact CD2-CD2 4.21Å; F60-L363 HydrophobicContact CE2-CD2 4.5Å; F60-L363 HydrophobicContact CZ-CD2 3.86Å; A317-L363 HydrophobicContact CB-CD2 3.64Å; I323-L363 HydrophobicContact CD1-CD2 4.34Å; T340-L363 HydrophobicContact CG2-CD1 3.84Å; M359-L363 HydrophobicContact CB-CD1 4.18Å; M359-L363 HydrophobicContact CB-CG 4.14Å; M359-L363 WeakPolarHBondContact O-CG 3.41Å; M359-L363 PolarHBondContact O-N 2.9Å; T360-L363 PolarHBondContact O-N 3.05Å |
| 364 | F | 94.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -110.6 | -22 | -167.7 | -50.8 | -37.9 | 0 | 0 | 0 | 114.3 | W319 V322 I323 L344 T360 | W319-F364 AromaticContact CE3-CE1 3.91Å; W319-F364 HydrophobicContact CE3-CE1 3.91Å; W319-F364 AromaticContact CE3-CZ 3.87Å; W319-F364 HydrophobicContact CE3-CZ 3.87Å; W319-F364 HydrophobicContact CZ3-CE1 4.27Å; W319-F364 AromaticContact CZ3-CZ 3.77Å; W319-F364 HydrophobicContact CZ3-CZ 3.77Å; V322-F364 HydrophobicContact CG1-CD1 3.59Å; V322-F364 HydrophobicContact CG1-CE1 3.7Å; V322-F364 HydrophobicContact CG1-CG 4.19Å; V322-F364 HydrophobicContact CG1-CZ 4.36Å; I323-F364 HydrophobicContact CD1-CE1 4.08Å; I323-F364 HydrophobicContact CG1-CD1 3.75Å; I323-F364 HydrophobicContact CG1-CE1 3.6Å; L344-F364 HydrophobicContact CD1-CE2 4.45Å; L344-F364 HydrophobicContact CD1-CZ 4.11Å; L344-F364 HydrophobicContact CD2-CE2 3.5Å; L344-F364 VanDerWaalsContact CD2-CE2 3.5Å; L344-F364 HydrophobicContact CD2-CZ 3.79Å; L344-F364 HydrophobicContact CG-CE2 4.39Å; T360-F364 HydrophobicContact CG2-CE2 4.09Å; T360-F364 WeakPolarHBondContact O-CD2 3.19Å; T360-F364 PolarHBondContact O-N 3.08Å |
| 365 | H | 91.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.616 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -115.7 | 1.8 | -172.8 | -52.5 | -41 | 0 | 0 | 0 | 113 | D361 G367 | D361-H365 CarbonylContact O-C 3.46Å; D361-H365 WeakPolarHBondContact O-CA 3.23Å; D361-H365 WeakPolarHBondContact O-CB 3.32Å; D361-H365 PolarHBondContact O-N 2.73Å; D361-H365 WeakPolarHBondContact OD1-CB 3.48Å; D361-H365 IonicContact OD1-CD2 2.85Å; D361-H365 PolarHBondContact OD1-CD2 2.96Å; D361-H365 IonicContact OD1-CG 3.98Å; H365-G367 PolarHBondContact O-N 3.28Å |
| 366 | K | 85.9 | Confident | 96.3 | Very high | 143 Ų | 143 | 50.4 Ų | 50.4 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | trans | 52.1 | 32.2 | -167.8 | -58.7 | -171.4 | 172.2 | -166.9 | 0 | 111.1 | D361 | D361-K366 PolarHBondContact O-N 3.43Š| ||
| 367 | G | 89.6 | Confident | 96.3 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | trans | -72.6 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D361 H365 | D361-G367 PolarHBondContact O-N 3.37Å; D361-G367 WeakPolarHBondContact OD2-CA 3.45Å; H365-G367 PolarHBondContact O-N 3.28Å | ||
| 368 | K | 94.4 | Very high | 96.3 | Very high | 152 Ų | 152 | 46 Ų | 46 | 66% | 0.661 | 22% | 0.222 | S | C | * | . | trans | -80.3 | 144.3 | 177 | -70.3 | -61.6 | -172.6 | 174.7 | 0 | 110.2 | E330 | E330-K368 WeakPolarHBondContact OE1-CD 3.29Å; E330-K368 WeakPolarHBondContact OE1-CE 3.26Å; E330-K368 IonicContact OE1-NZ 3.79Å; E330-K368 PolarHBondContact OE1-NZ 3.4Å; E330-K368 WeakPolarHBondContact OE2-CD 3.25Å | ||
| 369 | S | 96.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | trans | -65.8 | 142.2 | 167.8 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | E330 M331 R371 | E330-S369 PolarHBondContact OE2-N 2.63Å; M331-S369 WeakPolarHBondContact O-CB 3.38Å; M331-S369 PolarHBondContact O-OG 3.1Å; S369-R371 PolarHBondContact O-N 2.03Å; S369-R371 WeakPolarHBondContact OG-CB 3.42Å; S369-R371 PolarHBondContact OG-N 3.34Å | ||
| 370 | K | 97.6 | Very high | 96.2 | Very high | 128 Ų | 128 | 49.1 Ų | 49.1 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -73.8 | -13.9 | 168.7 | -68.2 | 175.6 | -177.9 | 166.6 | 0 | 112 | F357 E372 | F357-K370 HydrophobicContact CB-CB 3.95Å; F357-K370 HydrophobicContact CD1-CB 4.03Å; F357-K370 HydrophobicContact CG-CB 4.03Å; K370-E372 PolarHBondContact O-N 3.32Å |
| 371 | R | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | trans | -81.7 | 103.3 | 178.5 | -179.7 | 174.1 | -69 | -73.1 | -3.8 | 109.9 | M331 D336 D355 F357 S369 A373 | M331-R371 HydrophobicContact CB-CG 4.28Å; M331-R371 HydrophobicContact CG-CG 4.04Å; M331-R371 HydrophobicContact SD-CG 3.92Å; D336-R371 IonicContact OD1-CZ 3.54Å; D336-R371 IonicContact OD1-NE 3.57Å; D336-R371 PolarHBondContact OD1-NE 3.05Å; D336-R371 IonicContact OD1-NH2 2.83Å; D336-R371 PolarHBondContact OD1-NH2 3.25Å; D336-R371 IonicContact OD2-CZ 3.41Å; D336-R371 IonicContact OD2-NE 2.69Å; D336-R371 PolarHBondContact OD2-NE 3.31Å; D336-R371 IonicContact OD2-NH2 2.62Å; D355-R371 PolarHBondContact O-NH2 3Å; F357-R371 HydrophobicContact CD2-CB 3.96Å; F357-R371 HydrophobicContact CE2-CB 4.28Å; S369-R371 PolarHBondContact O-N 2.03Å; S369-R371 WeakPolarHBondContact OG-CB 3.42Å; S369-R371 PolarHBondContact OG-N 3.34Å; R371-A373 VanDerWaalsContact CG-O 3.31Å; R371-A373 WeakPolarHBondContact CG-O 3.34Å; R371-A373 PolarHBondContact NH1-O 3.06Å | ||
| 372 | E | 97.2 | Very high | 96.2 | Very high | 147 Ų | 147 | 47.3 Ų | 47.3 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | trans | -90.7 | -23.6 | 174.5 | -62.2 | -177.3 | 173.4 | 0 | 0 | 112.7 | K370 L392 G393 | K370-E372 PolarHBondContact O-N 3.32Å; E372-L392 HydrophobicContact CB-CD1 4.45Å; E372-G393 PolarHBondContact O-N 3.13Å | ||
| 373 | A | 98.6 | Very high | 96 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R371 M375 R391 L392 V460 | R371-A373 VanDerWaalsContact CG-O 3.31Å; R371-A373 WeakPolarHBondContact CG-O 3.34Å; R371-A373 PolarHBondContact NH1-O 3.06Å; A373-M375 HydrophobicContact CB-CE 4.16Å; A373-R391 CarbonylContact C-O 3.52Å; A373-R391 WeakPolarHBondContact CA-O 3.15Å; A373-R391 VanDerWaalsContact CB-O 3.29Å; A373-R391 WeakPolarHBondContact CB-O 3.14Å; A373-L392 HydrophobicContact CB-CD1 4.11Å; A373-V460 HydrophobicContact CB-CG1 3.91Å |
| 374 | M | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.4 | 172.5 | -171.5 | 61.1 | -168.1 | 0 | 0 | 110.5 | Y64 C65 T66 Y82 M331 F376 V390 R391 | Y64-M374 HydrophobicContact CD1-CG 4.4Å; Y64-M374 HydrophobicContact CG-CG 4.1Å; C65-M374 WeakPolarHBondContact O-CE 3.38Å; T66-M374 HydrophobicContact CG2-CE 4.17Å; Y82-M374 HydrophobicContact CE1-CE 4.5Å; Y82-M374 WeakPolarHBondContact OH-CE 3.25Å; M331-M374 HydrophobicContact SD-CB 3.69Å; M374-F376 HydrophobicContact CB-CE2 3.78Å; M374-F376 HydrophobicContact CB-CZ 3.94Å; M374-F376 HydrophobicContact CG-CD2 4.42Å; M374-F376 HydrophobicContact CG-CE1 4.2Å; M374-F376 HydrophobicContact CG-CE2 3.74Å; M374-F376 HydrophobicContact CG-CZ 3.6Å; M374-F376 WeakPolarHBondContact O-CD2 3.42Å; M374-F376 WeakPolarHBondContact O-CE2 3.27Å; M374-V390 WeakPolarHBondContact O-CA 3.43Å; M374-R391 HydrophobicContact CB-CB 4.24Å; M374-R391 PolarHBondContact N-O 2.88Å; M374-R391 PolarHBondContact O-N 3.32Å |
| 375 | M | 98.8 | Very high | 95.9 | Very high | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.9 | -176.4 | -50.5 | 73.6 | 179.7 | 0 | 0 | 109.1 | Y82 A373 L387 V460 F464 | Y82-M375 HydrophobicContact CE1-CB 4.32Å; Y82-M375 WeakPolarHBondContact CE1-O 3.39Å; Y82-M375 HydrophobicContact CE2-CB 4.37Å; Y82-M375 HydrophobicContact CE2-SD 4.18Å; Y82-M375 VanDerWaalsContact OH-CB 3.32Å; Y82-M375 WeakPolarHBondContact OH-CB 3.32Å; Y82-M375 PolarHBondContact OH-N 3.33Å; Y82-M375 PolarHBondContact OH-O 2.93Å; Y82-M375 PolarHBondContact OH-SD 2.77Å; A373-M375 HydrophobicContact CB-CE 4.16Å; M375-L387 HydrophobicContact CB-CD1 3.73Å; M375-L387 HydrophobicContact CB-CD2 3.63Å; M375-L387 HydrophobicContact CB-CG 4.34Å; M375-L387 HydrophobicContact CG-CD1 3.89Å; M375-V460 HydrophobicContact CE-CG1 4.48Å; M375-F464 HydrophobicContact CB-CE1 4.28Å; M375-F464 HydrophobicContact CB-CZ 4.26Å; M375-F464 HydrophobicContact CE-CD2 3.78Å; M375-F464 HydrophobicContact CE-CE2 4.31Å; M375-F464 HydrophobicContact CE-CG 4.33Å; M375-F464 HydrophobicContact CG-CD1 4.13Å; M375-F464 HydrophobicContact CG-CD2 3.89Å; M375-F464 HydrophobicContact CG-CE1 4.2Å; M375-F464 HydrophobicContact CG-CE2 3.98Å; M375-F464 HydrophobicContact CG-CG 3.94Å; M375-F464 HydrophobicContact CG-CZ 4.11Å; M375-F464 HydrophobicContact SD-CD2 4.16Å; M375-F464 HydrophobicContact SD-CE2 4.16Å |
| 376 | F | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.3 | -172.7 | -58.7 | -100.6 | 0 | 0 | 0 | 110.1 | Y64 T306 M311 M374 F388 A389 R391 K396 | Y64-F376 AromaticContact CD1-CE1 3.56Å; Y64-F376 HydrophobicContact CD1-CE1 3.56Å; Y64-F376 AromaticContact CD1-CZ 3.7Å; Y64-F376 HydrophobicContact CD1-CZ 3.7Å; Y64-F376 AromaticContact CE1-CE1 3.73Å; Y64-F376 HydrophobicContact CE1-CE1 3.73Å; Y64-F376 AromaticContact CE1-CZ 3.62Å; Y64-F376 HydrophobicContact CE1-CZ 3.62Å; T306-F376 HydrophobicContact CG2-CB 4.17Å; M311-F376 HydrophobicContact CB-CD1 4.21Å; M311-F376 HydrophobicContact CB-CE1 4.21Å; M311-F376 HydrophobicContact CE-CB 4.32Å; M311-F376 HydrophobicContact CE-CD1 3.62Å; M311-F376 HydrophobicContact CE-CE1 4.37Å; M311-F376 HydrophobicContact CE-CG 4.33Å; M311-F376 HydrophobicContact SD-CB 4.26Å; M311-F376 HydrophobicContact SD-CD1 3.65Å; M311-F376 HydrophobicContact SD-CG 4.44Å; M374-F376 HydrophobicContact CB-CE2 3.78Å; M374-F376 HydrophobicContact CB-CZ 3.94Å; M374-F376 HydrophobicContact CG-CD2 4.42Å; M374-F376 HydrophobicContact CG-CE1 4.2Å; M374-F376 HydrophobicContact CG-CE2 3.74Å; M374-F376 HydrophobicContact CG-CZ 3.6Å; M374-F376 WeakPolarHBondContact O-CD2 3.42Å; M374-F376 WeakPolarHBondContact O-CE2 3.27Å; F376-F388 PolarHBondContact O-N 3.22Å; F376-A389 HydrophobicContact CB-CB 3.99Å; F376-A389 HydrophobicContact CD2-CB 4.05Å; F376-A389 WeakPolarHBondContact CD2-O 3.31Å; F376-A389 HydrophobicContact CG-CB 4.2Å; F376-A389 PolarHBondContact N-O 3.42Å; F376-A389 PolarHBondContact O-N 3.3Å; F376-R391 HydrophobicContact CE2-CB 3.78Å; F376-R391 HydrophobicContact CZ-CB 4.29Å; F376-K396 HydrophobicContact CE2-CD 4.48Å; F376-K396 HydrophobicContact CZ-CD 4.49Å |
| 377 | Y | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | trans | -96.6 | 145.7 | 172 | -82.8 | -69.9 | 0 | 0 | 0 | 110.7 | Y82 T84 T306 P381 L387 F464 M468 F470 | Y82-Y377 HydrophobicContact CD1-CD2 4.04Å; Y82-Y377 HydrophobicContact CD1-CE2 4.35Å; Y82-Y377 HydrophobicContact CE1-CD2 4.44Å; T84-Y377 HydrophobicContact CG2-CD1 4.18Å; T84-Y377 HydrophobicContact CG2-CD2 3.99Å; T84-Y377 HydrophobicContact CG2-CE1 4.15Å; T84-Y377 HydrophobicContact CG2-CE2 3.95Å; T84-Y377 HydrophobicContact CG2-CG 4.11Å; T306-Y377 WeakPolarHBondContact CG2-O 3.39Å; Y377-P381 HydrophobicContact CD1-CB 3.51Å; Y377-P381 HydrophobicContact CE1-CB 4.2Å; Y377-P381 HydrophobicContact CG-CB 4.06Å; Y377-L387 HydrophobicContact CD1-CD2 3.98Å; Y377-L387 HydrophobicContact CD2-CD2 3.62Å; Y377-L387 HydrophobicContact CE1-CD2 3.74Å; Y377-L387 HydrophobicContact CE1-CG 4.35Å; Y377-L387 HydrophobicContact CE2-CD2 3.34Å; Y377-L387 HydrophobicContact CE2-CG 4.47Å; Y377-L387 HydrophobicContact CG-CD2 3.93Å; Y377-F464 AromaticContact CE2-CE1 3.91Å; Y377-F464 HydrophobicContact CE2-CE1 3.91Å; Y377-F464 HydrophobicContact CE2-CZ 4.35Å; Y377-M468 HydrophobicContact CE2-CE 4.38Å; Y377-F470 AromaticContact CE1-CZ 3.85Å; Y377-F470 HydrophobicContact CE1-CZ 3.85Å | ||
| 378 | P | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | trans | -73.1 | 178.6 | 172.1 | 36.3 | -38.8 | 0 | 0 | 0 | 111.1 | D380 P381 F388 | P378-D380 PolarHBondContact O-N 3.16Å; P378-P381 HydrophobicContact CG-CB 4.49Å; P378-P381 WeakPolarHBondContact O-CD 3.42Å; P378-F388 HydrophobicContact CB-CD1 4.15Å; P378-F388 HydrophobicContact CB-CD2 3.98Å; P378-F388 HydrophobicContact CB-CE1 4.07Å; P378-F388 HydrophobicContact CB-CE2 3.86Å; P378-F388 HydrophobicContact CB-CG 4.1Å; P378-F388 HydrophobicContact CB-CZ 3.89Å; P378-F388 HydrophobicContact CG-CD1 3.7Å; P378-F388 HydrophobicContact CG-CD2 4.43Å; P378-F388 HydrophobicContact CG-CE1 3.59Å; P378-F388 HydrophobicContact CG-CE2 4.31Å; P378-F388 HydrophobicContact CG-CG 4.13Å; P378-F388 HydrophobicContact CG-CZ 3.88Å | ||
| 379 | I | 97.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 26% | 0.256 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -59.5 | -26 | 174.3 | 60.5 | 171.9 | 0 | 0 | 0 | 114.2 | P68 V69 P90 G91 P381 | P68-I379 HydrophobicContact CG-CG2 3.84Å; V69-I379 HydrophobicContact CG1-CG2 3.71Å; V69-I379 HydrophobicContact CG2-CG2 4.22Å; P90-I379 WeakPolarHBondContact CA-O 3.32Å; G91-I379 PolarHBondContact N-O 2.61Å; I379-P381 VanDerWaalsContact C-CD 3.46Å; I379-P381 WeakPolarHBondContact O-CD 3.16Å |
| 380 | D | 97.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -128.3 | 57.4 | -173.2 | 61.9 | -17.3 | 0 | 0 | 0 | 111.1 | P90 P378 N382 R402 | P90-D380 HydrophobicContact CB-CB 3.88Å; P378-D380 PolarHBondContact O-N 3.16Å; D380-N382 PolarHBondContact O-ND2 3.33Å; D380-R402 IonicContact OD1-CZ 3.87Å; D380-R402 VanDerWaalsContact OD1-CZ 3.31Å; D380-R402 IonicContact OD1-NH1 3.35Å; D380-R402 PolarHBondContact OD1-NH1 3.25Å; D380-R402 VanDerWaalsContact OD1-NH1 3.12Å; D380-R402 IonicContact OD1-NH2 2.8Å; D380-R402 PolarHBondContact OD1-NH2 3.24Å; D380-R402 IonicContact OD2-CZ 3.38Å; D380-R402 IonicContact OD2-NH1 3.43Å; D380-R402 PolarHBondContact OD2-NH1 2.81Å; D380-R402 IonicContact OD2-NH2 2.94Å |
| 381 | P | 97.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | -60.9 | 144.3 | -176.2 | 31.7 | -36.4 | 0 | 0 | 0 | 110.5 | T84 F89 Y377 P378 I379 F470 | T84-P381 HydrophobicContact CG2-CB 3.85Å; T84-P381 HydrophobicContact CG2-CG 3.73Å; F89-P381 HydrophobicContact CB-CG 3.62Å; F89-P381 HydrophobicContact CD2-CG 4.24Å; F89-P381 HydrophobicContact CG-CG 3.92Å; Y377-P381 HydrophobicContact CD1-CB 3.51Å; Y377-P381 HydrophobicContact CE1-CB 4.2Å; Y377-P381 HydrophobicContact CG-CB 4.06Å; P378-P381 HydrophobicContact CG-CB 4.49Å; P378-P381 WeakPolarHBondContact O-CD 3.42Å; I379-P381 VanDerWaalsContact C-CD 3.46Å; I379-P381 WeakPolarHBondContact O-CD 3.16Å; P381-F470 HydrophobicContact CB-CE2 4.05Å; P381-F470 HydrophobicContact CB-CZ 4.45Å; P381-F470 HydrophobicContact CG-CE2 4.5Å | ||
| 382 | N | 95.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | trans | -151.1 | 159 | 174.3 | 59.1 | 76.4 | 0 | 0 | 0 | 110.3 | D380 K384 Y385 G386 | D380-N382 PolarHBondContact O-ND2 3.33Å; N382-K384 PolarHBondContact O-N 2.95Å; N382-K384 WeakPolarHBondContact OD1-CB 3.39Å; N382-K384 PolarHBondContact OD1-N 3.36Å; N382-Y385 WeakPolarHBondContact ND2-CD2 3.3Å; N382-Y385 PolarHBondContact O-N 2.9Å; N382-Y385 VanDerWaalsContact OD1-CD2 3.28Å; N382-Y385 WeakPolarHBondContact OD1-CD2 3.32Å; N382-Y385 PolarHBondContact OD1-N 3.28Å; N382-G386 PolarHBondContact O-N 3.29Å | ||
| 383 | E | 94 | Very high | 97.6 | Very high | 152 Ų | 152 | 32.2 Ų | 32.2 | 71% | 0.71 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.5 | -175.4 | -62.8 | -175.3 | 160.3 | 0 | 0 | 113.6 | F470 | E383-F470 HydrophobicContact CG-CD1 3.85Å; E383-F470 HydrophobicContact CG-CD2 4.46Å; E383-F470 HydrophobicContact CG-CE1 4.14Å; E383-F470 HydrophobicContact CG-CG 4.05Å |
| 384 | K | 94.1 | Very high | 97.6 | Very high | 159 Ų | 159 | 34.5 Ų | 34.5 | 69% | 0.691 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -42.5 | 179.3 | -179.4 | -172.4 | 176 | -168.8 | 0 | 112.2 | N382 | N382-K384 PolarHBondContact O-N 2.95Å; N382-K384 WeakPolarHBondContact OD1-CB 3.39Å; N382-K384 PolarHBondContact OD1-N 3.36Å |
| 385 | Y | 94.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -30.1 | -179.1 | -56.5 | -59 | 0 | 0 | 0 | 112.7 | N382 L387 Y400 L421 | N382-Y385 WeakPolarHBondContact ND2-CD2 3.3Å; N382-Y385 PolarHBondContact O-N 2.9Å; N382-Y385 VanDerWaalsContact OD1-CD2 3.28Å; N382-Y385 WeakPolarHBondContact OD1-CD2 3.32Å; N382-Y385 PolarHBondContact OD1-N 3.28Å; Y385-L387 PolarHBondContact O-N 3.1Å; Y385-Y400 HydrophobicContact CD1-CD1 4.24Å; Y385-Y400 AromaticContact CD1-CE1 3.59Å; Y385-Y400 HydrophobicContact CD1-CE1 3.59Å; Y385-Y400 AromaticContact CD1-CZ 3.85Å; Y385-Y400 HydrophobicContact CE1-CE1 4.31Å; Y385-Y400 HydrophobicContact CG-CE1 4.38Å; Y385-Y400 VanDerWaalsContact O-CE2 3.26Å; Y385-Y400 WeakPolarHBondContact O-CE2 3.39Å; Y385-L421 HydrophobicContact CD2-CD2 4.29Å; Y385-L421 HydrophobicContact CE1-CD2 4.06Å; Y385-L421 HydrophobicContact CE2-CD2 3.8Å |
| 386 | G | 96.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | trans | 59 | -135.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N382 E465 | N382-G386 PolarHBondContact O-N 3.29Å; G386-E465 WeakPolarHBondContact CA-OE1 3.33Å | ||
| 387 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -68.4 | 131.6 | 178.2 | -62.9 | 176.4 | 0 | 0 | 0 | 112.3 | M375 Y377 Y385 V390 K461 F464 E465 | M375-L387 HydrophobicContact CB-CD1 3.73Å; M375-L387 HydrophobicContact CB-CD2 3.63Å; M375-L387 HydrophobicContact CB-CG 4.34Å; M375-L387 HydrophobicContact CG-CD1 3.89Å; Y377-L387 HydrophobicContact CD1-CD2 3.98Å; Y377-L387 HydrophobicContact CD2-CD2 3.62Å; Y377-L387 HydrophobicContact CE1-CD2 3.74Å; Y377-L387 HydrophobicContact CE1-CG 4.35Å; Y377-L387 HydrophobicContact CE2-CD2 3.34Å; Y377-L387 HydrophobicContact CE2-CG 4.47Å; Y377-L387 HydrophobicContact CG-CD2 3.93Å; Y385-L387 PolarHBondContact O-N 3.1Å; L387-V390 HydrophobicContact CB-CG2 4.44Å; L387-V390 HydrophobicContact CD1-CG2 3.75Å; L387-K461 HydrophobicContact CD1-CG 4.3Å; L387-K461 PolarHBondContact O-NZ 2.83Å; L387-F464 HydrophobicContact CD1-CD1 3.62Å; L387-F464 HydrophobicContact CD1-CE1 4.07Å; L387-F464 HydrophobicContact CD1-CG 4.37Å; L387-F464 HydrophobicContact CD2-CD1 4.39Å; L387-F464 HydrophobicContact CD2-CE1 4.01Å; L387-F464 HydrophobicContact CG-CD1 4.21Å; L387-F464 HydrophobicContact CG-CE1 4.3Å; L387-E465 HydrophobicContact CD1-CG 4.38Å; L387-E465 HydrophobicContact CG-CG 4.34Å; L387-E465 PolarHBondContact N-OE1 3.24Å | ||
| 388 | F | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77.7 | -42 | 174 | -94.1 | 38.3 | 0 | 0 | 0 | 112 | T306 F376 P378 F399 Y400 R402 L421 | T306-F388 HydrophobicContact CG2-CB 4.02Å; F376-F388 PolarHBondContact O-N 3.22Å; P378-F388 HydrophobicContact CB-CD1 4.15Å; P378-F388 HydrophobicContact CB-CD2 3.98Å; P378-F388 HydrophobicContact CB-CE1 4.07Å; P378-F388 HydrophobicContact CB-CE2 3.86Å; P378-F388 HydrophobicContact CB-CG 4.1Å; P378-F388 HydrophobicContact CB-CZ 3.89Å; P378-F388 HydrophobicContact CG-CD1 3.7Å; P378-F388 HydrophobicContact CG-CD2 4.43Å; P378-F388 HydrophobicContact CG-CE1 3.59Å; P378-F388 HydrophobicContact CG-CE2 4.31Å; P378-F388 HydrophobicContact CG-CG 4.13Å; P378-F388 HydrophobicContact CG-CZ 3.88Å; F388-F399 PolarHBondContact O-N 2.88Å; F388-Y400 HydrophobicContact CD1-CD2 4Å; F388-Y400 HydrophobicContact CD1-CG 4.1Å; F388-Y400 HydrophobicContact CE1-CD2 4.35Å; F388-Y400 HydrophobicContact CE1-CG 4.14Å; F388-Y400 HydrophobicContact CG-CG 4.5Å; F388-Y400 PolarHBondContact O-N 2.96Å; F388-R402 HydrophobicContact CE2-CB 4.07Å; F388-L421 HydrophobicContact CE1-CD1 4.23Å; F388-L421 HydrophobicContact CE2-CD1 3.66Å; F388-L421 HydrophobicContact CZ-CD1 3.33Å |
| 389 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 158.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F376 A397 | F376-A389 HydrophobicContact CB-CB 3.99Å; F376-A389 HydrophobicContact CD2-CB 4.05Å; F376-A389 WeakPolarHBondContact CD2-O 3.31Å; F376-A389 HydrophobicContact CG-CB 4.2Å; F376-A389 PolarHBondContact N-O 3.42Å; F376-A389 PolarHBondContact O-N 3.3Å; A389-A397 CarbonylContact C-O 3.58Å; A389-A397 WeakPolarHBondContact CA-O 3.25Å; A389-A397 WeakPolarHBondContact CB-O 3.37Å |
| 390 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 130 | 170.1 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | M374 L387 K396 A397 F399 I457 V460 K461 | M374-V390 WeakPolarHBondContact O-CA 3.43Å; L387-V390 HydrophobicContact CB-CG2 4.44Å; L387-V390 HydrophobicContact CD1-CG2 3.75Å; V390-K396 WeakPolarHBondContact O-CA 3.11Å; V390-A397 PolarHBondContact N-O 3.46Å; V390-A397 PolarHBondContact O-N 2.71Å; V390-F399 HydrophobicContact CB-CE2 4.37Å; V390-F399 HydrophobicContact CG2-CE2 4.26Å; V390-I457 HydrophobicContact CB-CG2 3.82Å; V390-I457 HydrophobicContact CG1-CG2 3.92Å; V390-V460 HydrophobicContact CG1-CG1 4.22Å; V390-K461 HydrophobicContact CG2-CB 3.99Å; V390-K461 HydrophobicContact CG2-CG 4.43Å |
| 391 | R | 98.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 4% | 0.038 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.7 | 166.5 | -176.4 | -175.9 | 173.7 | 179.7 | 1.5 | 109.1 | D62 Y64 M331 A373 M374 F376 G393 Y395 K396 L432 | D62-R391 IonicContact OD1-CZ 3.72Å; D62-R391 IonicContact OD1-NH1 2.82Å; D62-R391 PolarHBondContact OD1-NH1 2.79Å; D62-R391 IonicContact OD1-NH2 3.81Å; D62-R391 PolarHBondContact OD1-NH2 2.79Å; Y64-R391 VanDerWaalsContact CZ-NH1 3.26Å; Y64-R391 PolarHBondContact OH-NH1 2.87Å; M331-R391 HydrophobicContact CE-CG 3.84Å; A373-R391 CarbonylContact C-O 3.52Å; A373-R391 WeakPolarHBondContact CA-O 3.15Å; A373-R391 VanDerWaalsContact CB-O 3.29Å; A373-R391 WeakPolarHBondContact CB-O 3.14Å; M374-R391 HydrophobicContact CB-CB 4.24Å; M374-R391 PolarHBondContact N-O 2.88Å; M374-R391 PolarHBondContact O-N 3.32Å; F376-R391 HydrophobicContact CE2-CB 3.78Å; F376-R391 HydrophobicContact CZ-CB 4.29Å; R391-G393 WeakPolarHBondContact CG-O 3.34Å; R391-G393 PolarHBondContact NE-O 2.75Å; R391-G393 PolarHBondContact NH2-O 3.37Å; R391-Y395 CarbonylContact C-O 3.59Å; R391-Y395 VanDerWaalsContact CA-O 3.3Å; R391-Y395 WeakPolarHBondContact CA-O 3.18Å; R391-K396 HydrophobicContact CB-CB 4.2Å; R391-K396 HydrophobicContact CB-CG 4.32Å; R391-K396 HydrophobicContact CG-CB 4.35Å; R391-L432 HydrophobicContact CG-CD1 4.13Å |
| 392 | L | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 113.6 | 171 | 179.9 | 65 | 0 | 0 | 0 | 108.6 | E372 A373 K394 Y395 Q456 I457 V460 | E372-L392 HydrophobicContact CB-CD1 4.45Å; A373-L392 HydrophobicContact CB-CD1 4.11Å; L392-K394 PolarHBondContact O-N 2.93Å; L392-Y395 PolarHBondContact N-O 2.8Å; L392-Y395 PolarHBondContact O-N 2.82Å; L392-Y395 VanDerWaalsContact O-N 3.08Å; L392-Q456 HydrophobicContact CD2-CB 3.76Å; L392-I457 HydrophobicContact CB-CD1 4.38Å; L392-I457 HydrophobicContact CB-CG1 3.69Å; L392-I457 HydrophobicContact CD2-CG1 4.03Å; L392-V460 HydrophobicContact CD1-CG2 4.31Å; L392-V460 HydrophobicContact CD2-CG2 4.37Å |
| 393 | G | 98 | Very high | 97.9 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -124.4 | -169 | 0 | 0 | 0 | 0 | 0 | 110.7 | M331 E372 R391 | M331-G393 WeakPolarHBondContact CE-O 3.33Å; E372-G393 PolarHBondContact O-N 3.13Å; R391-G393 WeakPolarHBondContact CG-O 3.34Å; R391-G393 PolarHBondContact NE-O 2.75Å; R391-G393 PolarHBondContact NH2-O 3.37Å |
| 394 | K | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 26% | 0.261 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.2 | 177.8 | 67.3 | -177.8 | -169.7 | 149.4 | 0 | 115.5 | L392 D431 L432 E433 | L392-K394 PolarHBondContact O-N 2.93Å; K394-D431 WeakPolarHBondContact CD-OD1 3.35Å; K394-D431 WeakPolarHBondContact CE-OD2 3.39Å; K394-D431 IonicContact NZ-OD1 3.86Å; K394-D431 IonicContact NZ-OD2 3.54Å; K394-D431 PolarHBondContact NZ-OD2 3.06Å; K394-L432 WeakPolarHBondContact O-CB 3.42Å; K394-L432 PolarHBondContact O-N 3.31Å; K394-E433 HydrophobicContact CB-CB 4.49Å; K394-E433 HydrophobicContact CB-CG 3.76Å; K394-E433 HydrophobicContact CD-CB 4.39Å; K394-E433 VanDerWaalsContact CD-CD 3.41Å; K394-E433 HydrophobicContact CD-CG 4.1Å; K394-E433 WeakPolarHBondContact CD-OE2 3.47Å; K394-E433 IonicContact NZ-OE2 2.63Å |
| 395 | Y | 98.9 | Very high | 98.3 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 15% | 0.153 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.7 | -175.7 | -65.1 | -74.5 | 0 | 0 | 0 | 111.4 | R391 L392 I429 F430 D431 L442 I450 V453 | R391-Y395 CarbonylContact C-O 3.59Å; R391-Y395 VanDerWaalsContact CA-O 3.3Å; R391-Y395 WeakPolarHBondContact CA-O 3.18Å; L392-Y395 PolarHBondContact N-O 2.8Å; L392-Y395 PolarHBondContact O-N 2.82Å; L392-Y395 VanDerWaalsContact O-N 3.08Å; Y395-I429 HydrophobicContact CD1-CD1 4.47Å; Y395-I429 HydrophobicContact CD1-CG1 4.45Å; Y395-F430 VanDerWaalsContact CA-O 3.27Å; Y395-F430 WeakPolarHBondContact CA-O 3.5Å; Y395-D431 HydrophobicContact CD1-CB 4.16Å; Y395-D431 HydrophobicContact CE1-CB 3.83Å; Y395-L442 HydrophobicContact CD1-CD1 3.99Å; Y395-L442 HydrophobicContact CE1-CD1 3.73Å; Y395-I450 HydrophobicContact CE1-CD1 3.84Å; Y395-V453 HydrophobicContact CD2-CB 4.41Å; Y395-V453 HydrophobicContact CD2-CG1 3.56Å; Y395-V453 HydrophobicContact CD2-CG2 4.08Å; Y395-V453 HydrophobicContact CE2-CG1 4.28Å; Y395-V453 HydrophobicContact CE2-CG2 3.99Å; Y395-V453 HydrophobicContact CG-CG1 3.74Å |
| 396 | K | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.1 | 173 | -178.9 | 179 | 174.6 | -162.7 | 0 | 110.3 | T306 D308 F376 V390 R391 H398 I429 F430 L432 E438 | T306-K396 WeakPolarHBondContact O-CE 3.46Å; T306-K396 PolarHBondContact O-NZ 2.71Å; D308-K396 IonicContact OD1-NZ 3.49Å; D308-K396 PolarHBondContact OD1-NZ 2.87Å; F376-K396 HydrophobicContact CE2-CD 4.48Å; F376-K396 HydrophobicContact CZ-CD 4.49Å; V390-K396 WeakPolarHBondContact O-CA 3.11Å; R391-K396 HydrophobicContact CB-CB 4.2Å; R391-K396 HydrophobicContact CB-CG 4.32Å; R391-K396 HydrophobicContact CG-CB 4.35Å; K396-H398 WeakPolarHBondContact CE-NE2 3.18Å; K396-I429 CarbonylContact O-C 3.44Å; K396-I429 WeakPolarHBondContact O-CA 3.49Å; K396-F430 PolarHBondContact N-O 2.63Å; K396-F430 PolarHBondContact O-N 2.71Å; K396-L432 HydrophobicContact CB-CD1 3.64Å; K396-L432 HydrophobicContact CB-CD2 4.24Å; K396-L432 HydrophobicContact CB-CG 3.97Å; K396-L432 HydrophobicContact CD-CD1 4.05Å; K396-L432 HydrophobicContact CG-CD1 4.49Å; K396-E438 WeakPolarHBondContact CD-OE1 3.31Å; K396-E438 WeakPolarHBondContact CE-OE1 3.42Å; K396-E438 IonicContact NZ-OE1 3.46Å; K396-E438 PolarHBondContact NZ-OE1 3.33Å; K396-E438 IonicContact NZ-OE2 3.31Å |
| 397 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A389 V390 F399 P427 L428 L454 I457 | A389-A397 CarbonylContact C-O 3.58Å; A389-A397 WeakPolarHBondContact CA-O 3.25Å; A389-A397 WeakPolarHBondContact CB-O 3.37Å; V390-A397 PolarHBondContact N-O 3.46Å; V390-A397 PolarHBondContact O-N 2.71Å; A397-F399 HydrophobicContact CB-CE2 4.32Å; A397-P427 HydrophobicContact CB-CB 4.13Å; A397-L428 CarbonylContact C-O 3.57Å; A397-L428 WeakPolarHBondContact CA-O 3.28Å; A397-L454 HydrophobicContact CB-CD1 4.26Å; A397-I457 HydrophobicContact CB-CD1 4.06Å; A397-I457 HydrophobicContact CB-CG2 3.84Å |
| 398 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.8 | 172 | -69.6 | -102.3 | 0 | 0 | 0 | 110.1 | Y307 K396 T401 P427 L428 F430 E438 | Y307-H398 AromaticContact CD1-CE1 3.74Å; Y307-H398 AromaticContact CE1-CE1 3.95Å; K396-H398 WeakPolarHBondContact CE-NE2 3.18Å; H398-T401 HydrophobicContact CB-CG2 3.87Å; H398-P427 VanDerWaalsContact O-CA 3.31Å; H398-P427 WeakPolarHBondContact O-CA 3.39Å; H398-P427 WeakPolarHBondContact O-CB 3.46Å; H398-L428 HydrophobicContact CB-CB 4.35Å; H398-L428 PolarHBondContact N-O 3.49Å; H398-L428 PolarHBondContact O-N 2.78Å; H398-F430 AromaticContact CD2-CD2 3.81Å; H398-F430 AromaticContact CD2-CE2 3.6Å; H398-E438 IonicContact CD2-OE1 3.22Å; H398-E438 IonicContact CE1-OE1 2.63Å; H398-E438 PolarHBondContact CE1-OE1 3.22Å; H398-E438 IonicContact NE2-OE1 3.6Å; H398-E438 PolarHBondContact NE2-OE1 3.22Å |
| 399 | F | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -32.6 | 172.2 | -62.1 | -93.6 | 0 | 0 | 0 | 110.9 | F388 V390 A397 H424 P427 I457 K458 K461 | F388-F399 PolarHBondContact O-N 2.88Å; V390-F399 HydrophobicContact CB-CE2 4.37Å; V390-F399 HydrophobicContact CG2-CE2 4.26Å; A397-F399 HydrophobicContact CB-CE2 4.32Å; F399-H424 PolarHBondContact O-N 2.82Å; F399-P427 HydrophobicContact CD1-CB 4.19Å; F399-P427 HydrophobicContact CD1-CG 3.37Å; F399-P427 HydrophobicContact CE1-CB 4.33Å; F399-P427 HydrophobicContact CE1-CG 3.41Å; F399-P427 VanDerWaalsContact CE1-CG 3.41Å; F399-P427 HydrophobicContact CG-CB 4.42Å; F399-P427 HydrophobicContact CG-CG 4.07Å; F399-P427 HydrophobicContact CZ-CG 4.12Å; F399-I457 HydrophobicContact CE2-CG2 4.23Å; F399-I457 HydrophobicContact CZ-CG2 4.11Å; F399-K458 HydrophobicContact CE1-CG 4.04Å; F399-K458 HydrophobicContact CZ-CG 4.25Å; F399-K461 HydrophobicContact CD1-CD 4Å; F399-K461 HydrophobicContact CD2-CD 3.77Å; F399-K461 HydrophobicContact CE1-CD 3.71Å; F399-K461 HydrophobicContact CE2-CD 3.48Å; F399-K461 VanDerWaalsContact CE2-CD 3.48Å; F399-K461 HydrophobicContact CG-CD 4.04Å; F399-K461 HydrophobicContact CZ-CB 4.36Å; F399-K461 HydrophobicContact CZ-CD 3.45Å; F399-K461 VanDerWaalsContact CZ-CD 3.45Å |
| 400 | Y | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141 | 177.2 | -56.1 | -87.4 | 0 | 0 | 0 | 109.1 | Y385 F388 L421 K422 V423 | Y385-Y400 HydrophobicContact CD1-CD1 4.24Å; Y385-Y400 AromaticContact CD1-CE1 3.59Å; Y385-Y400 HydrophobicContact CD1-CE1 3.59Å; Y385-Y400 AromaticContact CD1-CZ 3.85Å; Y385-Y400 HydrophobicContact CE1-CE1 4.31Å; Y385-Y400 HydrophobicContact CG-CE1 4.38Å; Y385-Y400 VanDerWaalsContact O-CE2 3.26Å; Y385-Y400 WeakPolarHBondContact O-CE2 3.39Å; F388-Y400 HydrophobicContact CD1-CD2 4Å; F388-Y400 HydrophobicContact CD1-CG 4.1Å; F388-Y400 HydrophobicContact CE1-CD2 4.35Å; F388-Y400 HydrophobicContact CE1-CG 4.14Å; F388-Y400 HydrophobicContact CG-CG 4.5Å; F388-Y400 PolarHBondContact O-N 2.96Å; Y400-L421 HydrophobicContact CD1-CD1 4.21Å; Y400-L421 HydrophobicContact CG-CD1 4.48Å; Y400-K422 VanDerWaalsContact CA-O 3.25Å; Y400-K422 WeakPolarHBondContact CA-O 3.44Å; Y400-V423 HydrophobicContact CD1-CB 4.28Å; Y400-V423 HydrophobicContact CD1-CG1 4.24Å; Y400-V423 HydrophobicContact CD1-CG2 3.89Å; Y400-V423 HydrophobicContact CE1-CB 4.21Å; Y400-V423 HydrophobicContact CE1-CG1 3.82Å; Y400-V423 HydrophobicContact CE1-CG2 3.73Å |
| 401 | T | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.4 | 170.5 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | H398 K422 H424 L428 | H398-T401 HydrophobicContact CB-CG2 3.87Å; T401-K422 PolarHBondContact N-O 3.44Å; T401-K422 PolarHBondContact O-N 3.47Å; T401-H424 VanDerWaalsContact CG2-NE2 3.32Å; T401-H424 WeakPolarHBondContact CG2-NE2 3.34Å; T401-H424 PolarHBondContact OG1-NE2 2.78Å; T401-L428 HydrophobicContact CG2-CD1 4.36Å |
| 402 | R | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | trans | -157.4 | 138.6 | 173.6 | -166.5 | 176.4 | 61.9 | -164.9 | -8.2 | 108.6 | D380 F388 A419 L421 | D380-R402 IonicContact OD1-CZ 3.87Å; D380-R402 VanDerWaalsContact OD1-CZ 3.31Å; D380-R402 IonicContact OD1-NH1 3.35Å; D380-R402 PolarHBondContact OD1-NH1 3.25Å; D380-R402 VanDerWaalsContact OD1-NH1 3.12Å; D380-R402 IonicContact OD1-NH2 2.8Å; D380-R402 PolarHBondContact OD1-NH2 3.24Å; D380-R402 IonicContact OD2-CZ 3.38Å; D380-R402 IonicContact OD2-NH1 3.43Å; D380-R402 PolarHBondContact OD2-NH1 2.81Å; D380-R402 IonicContact OD2-NH2 2.94Å; F388-R402 HydrophobicContact CE2-CB 4.07Å; R402-A419 WeakPolarHBondContact CA-O 3.37Å; R402-A419 WeakPolarHBondContact CG-O 3.19Å; R402-L421 HydrophobicContact CB-CD1 4.43Å; R402-L421 HydrophobicContact CG-CB 4.5Å | ||
| 403 | G | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | trans | -77.7 | -172.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D414 C415 S416 A419 | G403-D414 WeakPolarHBondContact CA-O 3.31Å; G403-C415 WeakPolarHBondContact CA-O 3.34Å; G403-S416 WeakPolarHBondContact CA-O 3.38Å; G403-A419 PolarHBondContact N-O 3.37Å | ||
| 404 | A | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | trans | -151.6 | 149.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T305 H406 S407 A408 C415 D417 | T305-A404 HydrophobicContact CG2-CB 3.82Å; A404-H406 PolarHBondContact O-N 3.47Å; A404-S407 CarbonylContact O-C 3.51Å; A404-S407 WeakPolarHBondContact O-CA 3.35Å; A404-S407 PolarHBondContact O-N 2.78Å; A404-A408 PolarHBondContact O-N 3.49Å; A404-C415 PolarHBondContact N-O 2.89Å; A404-C415 VanDerWaalsContact O-O 3.11Å; A404-D417 PolarHBondContact O-N 3.49Å | ||
| 405 | T | 97.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 45% | 0.448 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -57.5 | -39.8 | 174.1 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | M288 S407 A408 D417 | M288-T405 WeakPolarHBondContact CB-O 3.14Å; M288-T405 HydrophobicContact CE-CG2 4.22Å; M288-T405 HydrophobicContact SD-CG2 4.2Å; T405-S407 PolarHBondContact O-N 2.98Å; T405-A408 WeakPolarHBondContact O-CB 3.49Å; T405-A408 PolarHBondContact O-N 2.82Å; T405-D417 WeakPolarHBondContact OG1-CB 3.04Å |
| 406 | H | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 28% | 0.282 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61.4 | -23.8 | 175.9 | -61 | -73.3 | 0 | 0 | 0 | 113.9 | E286 L287 M288 K303 A404 | E286-H406 CarbonylContact C-O 3.49Å; E286-H406 HydrophobicContact CG-CB 4.2Å; E286-H406 IonicContact OE1-CE1 3.74Å; E286-H406 PolarHBondContact OE1-CE1 3.34Å; E286-H406 IonicContact OE1-CG 3.6Å; E286-H406 IonicContact OE1-ND1 2.78Å; E286-H406 PolarHBondContact OE1-ND1 3.2Å; L287-H406 PolarHBondContact N-O 2.84Å; M288-H406 PolarHBondContact N-O 3.43Å; M288-H406 VanDerWaalsContact N-O 3.09Å; K303-H406 HydrophobicContact CB-CB 3.85Å; K303-H406 HydrophobicContact CD-CB 4.18Å; K303-H406 HydrophobicContact CG-CB 3.87Å; K303-H406 WeakPolarHBondContact O-CB 3.24Å; A404-H406 PolarHBondContact O-N 3.47Å |
| 407 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -100.8 | 7.1 | 177.7 | -75.9 | 0 | 0 | 0 | 0 | 113.8 | G302 K303 T305 A404 T405 T410 C415 | G302-S407 VanDerWaalsContact CA-OG 3.26Å; G302-S407 WeakPolarHBondContact CA-OG 3.39Å; G302-S407 PolarHBondContact N-OG 3.29Å; G302-S407 PolarHBondContact O-OG 2.89Å; K303-S407 PolarHBondContact O-N 2.96Å; K303-S407 PolarHBondContact O-OG 2.68Å; T305-S407 WeakPolarHBondContact CG2-OG 3.45Å; A404-S407 CarbonylContact O-C 3.51Å; A404-S407 WeakPolarHBondContact O-CA 3.35Å; A404-S407 PolarHBondContact O-N 2.78Å; T405-S407 PolarHBondContact O-N 2.98Å; S407-T410 PolarHBondContact O-OG1 3.2Å; S407-C415 WeakPolarHBondContact CB-O 3.42Å; S407-C415 WeakPolarHBondContact O-CB 3.15Å |
| 408 | A | 96 | Very high | 97.3 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L287 M288 A404 T405 T410 | L287-A408 CarbonylContact C-O 3.54Å; M288-A408 HydrophobicContact CB-CB 4.5Å; M288-A408 PolarHBondContact N-O 2.85Å; A404-A408 PolarHBondContact O-N 3.49Å; T405-A408 WeakPolarHBondContact O-CB 3.49Å; T405-A408 PolarHBondContact O-N 2.82Å; A408-T410 PolarHBondContact O-N 2.91Å; A408-T410 VanDerWaalsContact O-N 3.14Å |
| 409 | T | 95.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -8.4 | 179.9 | 78.3 | 0 | 0 | 0 | 0 | 116.3 | L287 M288 M290 | L287-T409 PolarHBondContact O-OG1 3.24Å; L287-T409 VanDerWaalsContact O-OG1 3.09Å; M288-T409 HydrophobicContact CB-CG2 4.49Å; M290-T409 HydrophobicContact CG-CG2 4.36Å |
| 410 | T | 97.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 54 Ų | 54 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.9 | 156.7 | 169.7 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | L287 S407 A408 D412 C415 | L287-T410 HydrophobicContact CB-CG2 3.84Å; L287-T410 HydrophobicContact CD1-CG2 3.68Å; L287-T410 HydrophobicContact CG-CG2 4.23Å; S407-T410 PolarHBondContact O-OG1 3.2Å; A408-T410 PolarHBondContact O-N 2.91Å; A408-T410 VanDerWaalsContact O-N 3.14Å; T410-D412 VanDerWaalsContact C-N 3.26Å; T410-D412 PolarHBondContact O-N 2.88Å; T410-C415 WeakPolarHBondContact OG1-CB 3.25Å |
| 411 | P | 96.5 | Very high | 97 | Very high | 125 Ų | 125 | 54.4 Ų | 54.4 | 81% | 0.812 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -69.6 | -23 | 177.6 | 27.1 | -34.7 | 0 | 0 | 0 | 113.3 | Q413 | P411-Q413 PolarHBondContact O-N 3Å; P411-Q413 PolarHBondContact O-NE2 3.28Å; P411-Q413 VanDerWaalsContact O-NE2 3.09Å |
| 412 | D | 97.6 | Very high | 97 | Very high | 44 Ų | 44 | 60 Ų | 60 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | trans | -73.4 | 113.2 | 178.1 | -173.4 | -8.2 | 0 | 0 | 0 | 110.7 | R300 T410 D414 C415 | R300-D412 IonicContact CZ-OD1 3.3Å; R300-D412 IonicContact CZ-OD2 3.17Å; R300-D412 IonicContact NE-OD2 3.08Å; R300-D412 PolarHBondContact NE-OD2 3.17Å; R300-D412 IonicContact NH2-OD1 3Å; R300-D412 PolarHBondContact NH2-OD1 3.08Å; R300-D412 IonicContact NH2-OD2 2.68Å; R300-D412 PolarHBondContact NH2-OD2 3.1Å; R300-D412 VanDerWaalsContact NH2-OD2 3.1Å; T410-D412 VanDerWaalsContact C-N 3.26Å; T410-D412 PolarHBondContact O-N 2.88Å; D412-D414 PolarHBondContact O-N 2.77Å; D412-D414 PolarHBondContact OD1-N 3.19Å; D412-C415 WeakPolarHBondContact O-CB 3.16Å; D412-C415 PolarHBondContact O-N 2.93Å | ||
| 413 | Q | 96.2 | Very high | 97 | Very high | 131 Ų | 131 | 61.9 Ų | 61.9 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.7 | -174.9 | -60.6 | -56.9 | -57.8 | 0 | 0 | 112.9 | P411 C415 A419 | P411-Q413 PolarHBondContact O-N 3Å; P411-Q413 PolarHBondContact O-NE2 3.28Å; P411-Q413 VanDerWaalsContact O-NE2 3.09Å; Q413-C415 PolarHBondContact O-N 3.16Å; Q413-A419 WeakPolarHBondContact O-CB 3.2Å |
| 414 | D | 97 | Very high | 97 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10.4 | 178.4 | -70.8 | -26.9 | 0 | 0 | 0 | 112.7 | R300 Y307 G403 D412 | R300-D414 IonicContact CZ-OD2 2.72Å; R300-D414 IonicContact NH1-OD2 3.72Å; R300-D414 IonicContact NH2-OD2 2.63Å; R300-D414 PolarHBondContact NH2-OD2 3.35Å; Y307-D414 HydrophobicContact CE2-CB 4.48Å; G403-D414 WeakPolarHBondContact CA-O 3.31Å; D412-D414 PolarHBondContact O-N 2.77Å; D412-D414 PolarHBondContact OD1-N 3.19Å |
| 415 | C | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -29 | 180 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | C301 G403 A404 S407 T410 D412 Q413 | C301-C415 WeakPolarHBondContact CA-SG 3.48Å; C301-C415 HydrophobicContact CB-CB 3.74Å; C301-C415 WeakPolarHBondContact CB-SG 3.5Å; C301-C415 WeakPolarHBondContact SG-CA 3.3Å; C301-C415 WeakPolarHBondContact SG-CB 3.48Å; C301-C415 CovalentContact SG-SG 2.04Å; C301-C415 PolarHBondContact SG-SG 2.91Å; G403-C415 WeakPolarHBondContact CA-O 3.34Å; A404-C415 PolarHBondContact N-O 2.89Å; A404-C415 VanDerWaalsContact O-O 3.11Å; S407-C415 WeakPolarHBondContact CB-O 3.42Å; S407-C415 WeakPolarHBondContact O-CB 3.15Å; T410-C415 WeakPolarHBondContact OG1-CB 3.25Å; D412-C415 WeakPolarHBondContact O-CB 3.16Å; D412-C415 PolarHBondContact O-N 2.93Å; Q413-C415 PolarHBondContact O-N 3.16Å |
| 416 | S | 96.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -70.4 | 153.4 | -179.3 | 161.9 | 0 | 0 | 0 | 0 | 112 | G403 F418 A419 | G403-S416 WeakPolarHBondContact CA-O 3.38Å; S416-F418 PolarHBondContact O-N 3.18Å; S416-F418 VanDerWaalsContact O-N 3.1Å; S416-F418 WeakPolarHBondContact OG-CD2 3.44Å; S416-F418 PolarHBondContact OG-N 3.42Å; S416-F418 VanDerWaalsContact OG-N 3.12Å; S416-A419 WeakPolarHBondContact O-CB 3.26Å; S416-A419 PolarHBondContact O-N 2.82Å |
| 417 | D | 92.3 | Very high | 96.8 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -21.1 | 166.5 | 54.7 | -35.7 | 0 | 0 | 0 | 115.5 | A404 T405 A419 | A404-D417 PolarHBondContact O-N 3.49Å; T405-D417 WeakPolarHBondContact OG1-CB 3.04Å; D417-A419 VanDerWaalsContact C-N 3.25Å; D417-A419 PolarHBondContact O-N 3.23Å |
| 418 | F | 95.4 | Very high | 96.8 | Very high | 166 Ų | 166 | 69.1 Ų | 69.1 | 73% | 0.728 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.6 | 171.7 | -59.5 | -56.8 | 0 | 0 | 0 | 113.4 | S416 V420 | S416-F418 PolarHBondContact O-N 3.18Å; S416-F418 VanDerWaalsContact O-N 3.1Å; S416-F418 WeakPolarHBondContact OG-CD2 3.44Å; S416-F418 PolarHBondContact OG-N 3.42Å; S416-F418 VanDerWaalsContact OG-N 3.12Å; F418-V420 VanDerWaalsContact C-N 3.26Å; F418-V420 PolarHBondContact O-N 2.83Å |
| 419 | A | 96.4 | Very high | 97 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -75.7 | 80.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R402 G403 Q413 S416 D417 | R402-A419 WeakPolarHBondContact CA-O 3.37Å; R402-A419 WeakPolarHBondContact CG-O 3.19Å; G403-A419 PolarHBondContact N-O 3.37Å; Q413-A419 WeakPolarHBondContact O-CB 3.2Å; S416-A419 WeakPolarHBondContact O-CB 3.26Å; S416-A419 PolarHBondContact O-N 2.82Å; D417-A419 VanDerWaalsContact C-N 3.25Å; D417-A419 PolarHBondContact O-N 3.23Å |
| 420 | V | 96.6 | Very high | 97.1 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 66% | 0.655 | 35% | 0.349 | S | S | * | . | trans | -60.8 | 162.5 | 178.6 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | F418 K422 | F418-V420 VanDerWaalsContact C-N 3.26Å; F418-V420 PolarHBondContact O-N 2.83Å; V420-K422 PolarHBondContact O-N 3.01Å; V420-K422 VanDerWaalsContact O-N 3.11Å | ||
| 421 | L | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | trans | -53.3 | 118.2 | -179.8 | -179.9 | 59.8 | 0 | 0 | 0 | 111.6 | Y385 F388 Y400 R402 | Y385-L421 HydrophobicContact CD2-CD2 4.29Å; Y385-L421 HydrophobicContact CE1-CD2 4.06Å; Y385-L421 HydrophobicContact CE2-CD2 3.8Å; F388-L421 HydrophobicContact CE1-CD1 4.23Å; F388-L421 HydrophobicContact CE2-CD1 3.66Å; F388-L421 HydrophobicContact CZ-CD1 3.33Å; Y400-L421 HydrophobicContact CD1-CD1 4.21Å; Y400-L421 HydrophobicContact CG-CD1 4.48Å; R402-L421 HydrophobicContact CB-CD1 4.43Å; R402-L421 HydrophobicContact CG-CB 4.5Å | ||
| 422 | K | 98.2 | Very high | 97.3 | Very high | 128 Ų | 128 | 58.2 Ų | 58.2 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.9 | 176 | -175.8 | 173.8 | 176.2 | -178.8 | 0 | 110.5 | Y400 T401 V420 | Y400-K422 VanDerWaalsContact CA-O 3.25Å; Y400-K422 WeakPolarHBondContact CA-O 3.44Å; T401-K422 PolarHBondContact N-O 3.44Å; T401-K422 PolarHBondContact O-N 3.47Å; V420-K422 PolarHBondContact O-N 3.01Å; V420-K422 VanDerWaalsContact O-N 3.11Å |
| 423 | V | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 63 Ų | 63 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.4 | 174.3 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | Y400 | Y400-V423 HydrophobicContact CD1-CB 4.28Å; Y400-V423 HydrophobicContact CD1-CG1 4.24Å; Y400-V423 HydrophobicContact CD1-CG2 3.89Å; Y400-V423 HydrophobicContact CE1-CB 4.21Å; Y400-V423 HydrophobicContact CE1-CG1 3.82Å; Y400-V423 HydrophobicContact CE1-CG2 3.73Å |
| 424 | H | 98.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.3 | 177.4 | -60 | -75.6 | 0 | 0 | 0 | 110.8 | F399 T401 P426 L428 | F399-H424 PolarHBondContact O-N 2.82Å; T401-H424 VanDerWaalsContact CG2-NE2 3.32Å; T401-H424 WeakPolarHBondContact CG2-NE2 3.34Å; T401-H424 PolarHBondContact OG1-NE2 2.78Å; H424-P426 CarbonylContact C-O 3.21Å; H424-P426 VanDerWaalsContact C-O 3.3Å; H424-P426 CarbonylContact O-C 3.08Å; H424-L428 HydrophobicContact CB-CG 4.37Å |
| 425 | N | 96 | Very high | 97.4 | Very high | 148 Ų | 148 | 58.1 Ų | 58.1 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 105.9 | 172.9 | -173.2 | 20 | 0 | 0 | 0 | 110.2 | ||
| 426 | P | 96.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 60 Ų | 60 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -67.3 | 158.6 | 0.1 | 28.8 | -34 | 0 | 0 | 0 | 113.2 | H424 L444 L454 | H424-P426 CarbonylContact C-O 3.21Å; H424-P426 VanDerWaalsContact C-O 3.3Å; H424-P426 CarbonylContact O-C 3.08Å; P426-L444 HydrophobicContact CB-CD1 3.46Å; P426-L444 VanDerWaalsContact CB-CD1 3.46Å; P426-L444 HydrophobicContact CG-CD1 3.43Å; P426-L444 VanDerWaalsContact CG-CD1 3.43Å; P426-L454 HydrophobicContact CB-CD2 4.25Å |
| 427 | P | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 147.4 | 174.2 | -27.9 | 37 | 0 | 0 | 0 | 112.7 | A397 H398 F399 L454 | A397-P427 HydrophobicContact CB-CB 4.13Å; H398-P427 VanDerWaalsContact O-CA 3.31Å; H398-P427 WeakPolarHBondContact O-CA 3.39Å; H398-P427 WeakPolarHBondContact O-CB 3.46Å; F399-P427 HydrophobicContact CD1-CB 4.19Å; F399-P427 HydrophobicContact CD1-CG 3.37Å; F399-P427 HydrophobicContact CE1-CB 4.33Å; F399-P427 HydrophobicContact CE1-CG 3.41Å; F399-P427 VanDerWaalsContact CE1-CG 3.41Å; F399-P427 HydrophobicContact CG-CB 4.42Å; F399-P427 HydrophobicContact CG-CG 4.07Å; F399-P427 HydrophobicContact CZ-CG 4.12Å; P427-L454 HydrophobicContact CB-CD1 4.18Å; P427-L454 HydrophobicContact CG-CD1 4.07Å |
| 428 | L | 98.7 | Very high | 97.8 | Very high | 52 Ų | 52 | 57 Ų | 57 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.1 | 166.7 | -56.6 | 179.2 | 0 | 0 | 0 | 108.2 | A397 H398 T401 H424 F430 P441 | A397-L428 CarbonylContact C-O 3.57Å; A397-L428 WeakPolarHBondContact CA-O 3.28Å; H398-L428 HydrophobicContact CB-CB 4.35Å; H398-L428 PolarHBondContact N-O 3.49Å; H398-L428 PolarHBondContact O-N 2.78Å; T401-L428 HydrophobicContact CG2-CD1 4.36Å; H424-L428 HydrophobicContact CB-CG 4.37Å; L428-F430 HydrophobicContact CB-CE2 3.75Å; L428-F430 HydrophobicContact CB-CZ 4.13Å; L428-F430 HydrophobicContact CD1-CZ 4.36Å; L428-P441 HydrophobicContact CB-CB 4.36Å; L428-P441 HydrophobicContact CD2-CB 4.23Å |
| 429 | I | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.1 | 179.7 | -172.5 | 168.4 | 0 | 0 | 0 | 110.5 | Y395 K396 P441 L442 L444 I450 V453 L454 I457 | Y395-I429 HydrophobicContact CD1-CD1 4.47Å; Y395-I429 HydrophobicContact CD1-CG1 4.45Å; K396-I429 CarbonylContact O-C 3.44Å; K396-I429 WeakPolarHBondContact O-CA 3.49Å; I429-P441 CarbonylContact O-C 3.53Å; I429-P441 WeakPolarHBondContact O-CA 3.46Å; I429-L442 HydrophobicContact CG2-CB 4.04Å; I429-L442 HydrophobicContact CG2-CD1 4.5Å; I429-L442 PolarHBondContact O-N 3.07Å; I429-L444 HydrophobicContact CG2-CD2 4.05Å; I429-I450 HydrophobicContact CD1-CG2 4.04Å; I429-I450 HydrophobicContact CG2-CG2 3.78Å; I429-V453 HydrophobicContact CD1-CG1 4.1Å; I429-L454 HydrophobicContact CD1-CB 4.43Å; I429-I457 HydrophobicContact CD1-CD1 3.95Å |
| 430 | F | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145 | -177.3 | -57.9 | -88.8 | 0 | 0 | 0 | 110.2 | Y395 K396 H398 L428 L432 E438 P441 | Y395-F430 VanDerWaalsContact CA-O 3.27Å; Y395-F430 WeakPolarHBondContact CA-O 3.5Å; K396-F430 PolarHBondContact N-O 2.63Å; K396-F430 PolarHBondContact O-N 2.71Å; H398-F430 AromaticContact CD2-CD2 3.81Å; H398-F430 AromaticContact CD2-CE2 3.6Å; L428-F430 HydrophobicContact CB-CE2 3.75Å; L428-F430 HydrophobicContact CB-CZ 4.13Å; L428-F430 HydrophobicContact CD1-CZ 4.36Å; F430-L432 HydrophobicContact CB-CD2 4.27Å; F430-E438 HydrophobicContact CD1-CB 4.05Å; F430-E438 HydrophobicContact CD2-CB 4.38Å; F430-E438 HydrophobicContact CE1-CB 4.12Å; F430-E438 WeakPolarHBondContact CE1-O 3.5Å; F430-E438 HydrophobicContact CE2-CB 4.46Å; F430-E438 HydrophobicContact CG-CB 4.18Å; F430-E438 HydrophobicContact CG-CG 4.38Å; F430-E438 HydrophobicContact CZ-CB 4.33Å; F430-P441 HydrophobicContact CD1-CB 4.43Å; F430-P441 HydrophobicContact CE1-CB 3.82Å; F430-P441 HydrophobicContact CE1-CG 4.31Å; F430-P441 HydrophobicContact CZ-CB 3.96Å |
| 431 | D | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 101.8 | 167.3 | -174.4 | -21.5 | 0 | 0 | 0 | 108.2 | K394 Y395 E433 A434 D435 L442 | K394-D431 WeakPolarHBondContact CD-OD1 3.35Å; K394-D431 WeakPolarHBondContact CE-OD2 3.39Å; K394-D431 IonicContact NZ-OD1 3.86Å; K394-D431 IonicContact NZ-OD2 3.54Å; K394-D431 PolarHBondContact NZ-OD2 3.06Å; Y395-D431 HydrophobicContact CD1-CB 4.16Å; Y395-D431 HydrophobicContact CE1-CB 3.83Å; D431-E433 PolarHBondContact O-N 3.5Å; D431-E433 PolarHBondContact OD1-N 3.43Å; D431-A434 HydrophobicContact CB-CB 4.4Å; D431-A434 PolarHBondContact O-N 2.04Å; D431-D435 WeakPolarHBondContact O-CA 3.29Å; D431-D435 PolarHBondContact O-N 2.86Å; D431-L442 HydrophobicContact CB-CD1 4.19Å |
| 432 | L | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.5 | -172.4 | -61.1 | 179.6 | 0 | 0 | 0 | 113.9 | R391 K394 K396 F430 E438 | R391-L432 HydrophobicContact CG-CD1 4.13Å; K394-L432 WeakPolarHBondContact O-CB 3.42Å; K394-L432 PolarHBondContact O-N 3.31Å; K396-L432 HydrophobicContact CB-CD1 3.64Å; K396-L432 HydrophobicContact CB-CD2 4.24Å; K396-L432 HydrophobicContact CB-CG 3.97Å; K396-L432 HydrophobicContact CD-CD1 4.05Å; K396-L432 HydrophobicContact CG-CD1 4.49Å; F430-L432 HydrophobicContact CB-CD2 4.27Å; L432-E438 HydrophobicContact CD2-CG 3.79Å |
| 433 | E | 97.4 | Very high | 98 | Very high | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -36.2 | 171.4 | -74.2 | 174.6 | -175.8 | 0 | 0 | 111.3 | K394 D431 | K394-E433 HydrophobicContact CB-CB 4.49Å; K394-E433 HydrophobicContact CB-CG 3.76Å; K394-E433 HydrophobicContact CD-CB 4.39Å; K394-E433 VanDerWaalsContact CD-CD 3.41Å; K394-E433 HydrophobicContact CD-CG 4.1Å; K394-E433 WeakPolarHBondContact CD-OE2 3.47Å; K394-E433 IonicContact NZ-OE2 2.63Å; D431-E433 PolarHBondContact O-N 3.5Å; D431-E433 PolarHBondContact OD1-N 3.43Å |
| 434 | A | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 69% | 0.694 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -30.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | D431 | D431-A434 HydrophobicContact CB-CB 4.4Å; D431-A434 PolarHBondContact O-N 2.04Å |
| 435 | D | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | trans | -138.2 | 70.9 | -175.9 | 179.6 | 30.4 | 0 | 0 | 0 | 110.4 | D431 S437 E438 H439 Y440 | D431-D435 WeakPolarHBondContact O-CA 3.29Å; D431-D435 PolarHBondContact O-N 2.86Å; D435-S437 PolarHBondContact O-N 3.17Å; D435-S437 VanDerWaalsContact O-N 3.16Å; D435-E438 PolarHBondContact O-N 3.24Å; D435-E438 PolarHBondContact OD1-N 3.25Å; D435-H439 PolarHBondContact OD1-N 3.45Å; D435-H439 PolarHBondContact OD2-N 3.21Å; D435-Y440 PolarHBondContact OD2-N 2.8Å | ||
| 436 | P | 98.1 | Very high | 97.4 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.3 | 176.1 | 28.4 | -36.1 | 0 | 0 | 0 | 113 | L299 | L299-P436 HydrophobicContact CD2-CB 4.24Š|
| 437 | S | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.9 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | P298 R300 D435 H439 | P298-S437 WeakPolarHBondContact O-CA 3.5Å; P298-S437 VanDerWaalsContact O-CB 3.31Å; P298-S437 WeakPolarHBondContact O-CB 3.3Å; P298-S437 PolarHBondContact O-OG 2.9Å; R300-S437 WeakPolarHBondContact CB-O 3.37Å; R300-S437 WeakPolarHBondContact CD-O 3.37Å; D435-S437 PolarHBondContact O-N 3.17Å; D435-S437 VanDerWaalsContact O-N 3.16Å; S437-H439 VanDerWaalsContact CB-CE1 3.48Å; S437-H439 WeakPolarHBondContact CB-CE1 3.36Å; S437-H439 PolarHBondContact O-CD2 2.87Å; S437-H439 PolarHBondContact O-N 3.12Å; S437-H439 VanDerWaalsContact O-N 3.16Å |
| 438 | E | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | 52.9 | 39.4 | 176.9 | -55.6 | 174.7 | 101 | 0 | 0 | 112.9 | R300 Y307 D308 K396 H398 F430 L432 D435 | R300-E438 PolarHBondContact NH1-O 3.32Å; Y307-E438 WeakPolarHBondContact CA-OE2 3.34Å; D308-E438 PolarHBondContact N-OE2 3.29Å; K396-E438 WeakPolarHBondContact CD-OE1 3.31Å; K396-E438 WeakPolarHBondContact CE-OE1 3.42Å; K396-E438 IonicContact NZ-OE1 3.46Å; K396-E438 PolarHBondContact NZ-OE1 3.33Å; K396-E438 IonicContact NZ-OE2 3.31Å; H398-E438 IonicContact CD2-OE1 3.22Å; H398-E438 IonicContact CE1-OE1 2.63Å; H398-E438 PolarHBondContact CE1-OE1 3.22Å; H398-E438 IonicContact NE2-OE1 3.6Å; H398-E438 PolarHBondContact NE2-OE1 3.22Å; F430-E438 HydrophobicContact CD1-CB 4.05Å; F430-E438 HydrophobicContact CD2-CB 4.38Å; F430-E438 HydrophobicContact CE1-CB 4.12Å; F430-E438 WeakPolarHBondContact CE1-O 3.5Å; F430-E438 HydrophobicContact CE2-CB 4.46Å; F430-E438 HydrophobicContact CG-CB 4.18Å; F430-E438 HydrophobicContact CG-CG 4.38Å; F430-E438 HydrophobicContact CZ-CB 4.33Å; L432-E438 HydrophobicContact CD2-CG 3.79Å; D435-E438 PolarHBondContact O-N 3.24Å; D435-E438 PolarHBondContact OD1-N 3.25Å | ||
| 439 | H | 97.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | trans | -89.3 | -32 | -178.8 | -70.9 | 163 | 0 | 0 | 0 | 113.1 | D435 S437 P441 | D435-H439 PolarHBondContact OD1-N 3.45Å; D435-H439 PolarHBondContact OD2-N 3.21Å; S437-H439 VanDerWaalsContact CB-CE1 3.48Å; S437-H439 WeakPolarHBondContact CB-CE1 3.36Å; S437-H439 PolarHBondContact O-CD2 2.87Å; S437-H439 PolarHBondContact O-N 3.12Å; S437-H439 VanDerWaalsContact O-N 3.16Å; H439-P441 WeakPolarHBondContact O-CD 3.48Å | ||
| 440 | Y | 98.1 | Very high | 97.1 | Very high | 167 Ų | 167 | 65.1 Ų | 65.1 | 66% | 0.655 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -121.3 | 84.8 | -166.8 | -52.5 | -65.8 | 0 | 0 | 0 | 110.9 | D435 L442 | D435-Y440 PolarHBondContact OD2-N 2.8Å; Y440-L442 PolarHBondContact O-N 2.93Å |
| 441 | P | 98 | Very high | 97 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.3 | 176.6 | 26.9 | -33.3 | 0 | 0 | 0 | 110 | L428 I429 F430 H439 | L428-P441 HydrophobicContact CB-CB 4.36Å; L428-P441 HydrophobicContact CD2-CB 4.23Å; I429-P441 CarbonylContact O-C 3.53Å; I429-P441 WeakPolarHBondContact O-CA 3.46Å; F430-P441 HydrophobicContact CD1-CB 4.43Å; F430-P441 HydrophobicContact CE1-CB 3.82Å; F430-P441 HydrophobicContact CE1-CG 4.31Å; F430-P441 HydrophobicContact CZ-CB 3.96Å; H439-P441 WeakPolarHBondContact O-CD 3.48Å |
| 442 | L | 98.1 | Very high | 97 | Very high | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 134.5 | -175.9 | -55.7 | 166.6 | 0 | 0 | 0 | 110.3 | Y395 I429 D431 Y440 I450 | Y395-L442 HydrophobicContact CD1-CD1 3.99Å; Y395-L442 HydrophobicContact CE1-CD1 3.73Å; I429-L442 HydrophobicContact CG2-CB 4.04Å; I429-L442 HydrophobicContact CG2-CD1 4.5Å; I429-L442 PolarHBondContact O-N 3.07Å; D431-L442 HydrophobicContact CB-CD1 4.19Å; Y440-L442 PolarHBondContact O-N 2.93Å; L442-I450 HydrophobicContact CB-CG2 4.38Å; L442-I450 HydrophobicContact CD1-CD1 3.96Å; L442-I450 HydrophobicContact CD1-CG1 4.39Å; L442-I450 HydrophobicContact CD1-CG2 4.33Å |
| 443 | P | 95.8 | Very high | 97 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 139.4 | 174 | 28.5 | -33.8 | 0 | 0 | 0 | 110 | R447 | P443-R447 WeakPolarHBondContact O-CG 3.39Š|
| 444 | L | 93.9 | Very high | 97 | Very high | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | trans | -90.4 | -23.8 | 174.4 | -61.8 | 179.6 | 0 | 0 | 0 | 112.6 | P426 I429 K446 R447 I450 Q451 L454 | P426-L444 HydrophobicContact CB-CD1 3.46Å; P426-L444 VanDerWaalsContact CB-CD1 3.46Å; P426-L444 HydrophobicContact CG-CD1 3.43Å; P426-L444 VanDerWaalsContact CG-CD1 3.43Å; I429-L444 HydrophobicContact CG2-CD2 4.05Å; L444-K446 PolarHBondContact O-N 2.94Å; L444-R447 PolarHBondContact O-N 3.24Å; L444-I450 HydrophobicContact CD2-CB 4.38Å; L444-I450 HydrophobicContact CD2-CG2 3.62Å; L444-Q451 PolarHBondContact O-NE2 3.45Å; L444-L454 HydrophobicContact CD1-CD2 3.7Å; L444-L454 HydrophobicContact CD2-CD2 4.19Å | ||
| 445 | D | 93.6 | Very high | 97 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 133.8 | 178.5 | -174.3 | 31.9 | 0 | 0 | 0 | 110.6 | R447 | D445-R447 PolarHBondContact O-N 2.86Š|
| 446 | K | 91.7 | Very high | 97 | Very high | 177 Ų | 177 | 70 Ų | 70 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 22.4 | -177.9 | -56.7 | 172.6 | -170.8 | 174.4 | 0 | 115 | L444 P448 | L444-K446 PolarHBondContact O-N 2.94Å; K446-P448 WeakPolarHBondContact O-CD 3.37Å |
| 447 | R | 95.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 31% | 0.306 | 36% | 0.355 | S | S | . | . | trans | -120.1 | 71.5 | 177.9 | -69.9 | -63.3 | -59 | -83.2 | 4.7 | 111.9 | P443 L444 D445 D449 I450 Q451 | P443-R447 WeakPolarHBondContact O-CG 3.39Å; L444-R447 PolarHBondContact O-N 3.24Å; D445-R447 PolarHBondContact O-N 2.86Å; R447-D449 VanDerWaalsContact C-OD1 3.25Å; R447-D449 WeakPolarHBondContact CA-OD1 3.35Å; R447-D449 IonicContact CZ-OD1 3.39Å; R447-D449 IonicContact CZ-OD2 2.82Å; R447-D449 IonicContact NE-OD1 3.63Å; R447-D449 PolarHBondContact NE-OD1 3.11Å; R447-D449 IonicContact NE-OD2 3.66Å; R447-D449 PolarHBondContact NE-OD2 3.38Å; R447-D449 IonicContact NH2-OD1 3.21Å; R447-D449 IonicContact NH2-OD2 2.78Å; R447-D449 PolarHBondContact NH2-OD2 3.36Å; R447-D449 PolarHBondContact O-N 3.25Å; R447-I450 HydrophobicContact CB-CB 4.11Å; R447-I450 HydrophobicContact CB-CG1 4.1Å; R447-I450 VanDerWaalsContact NH2-CG1 3.32Å; R447-I450 PolarHBondContact O-N 3.03Å; R447-I450 VanDerWaalsContact O-N 3.13Å; R447-Q451 WeakPolarHBondContact O-CG 3.16Å; R447-Q451 PolarHBondContact O-N 3.27Å | ||
| 448 | P | 96.6 | Very high | 97.1 | Very high | 93 Ų | 93 | 71.1 Ų | 71.1 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.5 | -27.5 | -178.4 | 26.1 | -34.6 | 0 | 0 | 0 | 112.9 | K446 A452 | K446-P448 WeakPolarHBondContact O-CD 3.37Å; P448-A452 WeakPolarHBondContact O-CB 3.06Å; P448-A452 PolarHBondContact O-N 3.26Å |
| 449 | D | 96.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 76.5 Ų | 76.5 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 172.7 | 60.3 | -44.9 | 0 | 0 | 0 | 112 | R447 A452 V453 | R447-D449 VanDerWaalsContact C-OD1 3.25Å; R447-D449 WeakPolarHBondContact CA-OD1 3.35Å; R447-D449 IonicContact CZ-OD1 3.39Å; R447-D449 IonicContact CZ-OD2 2.82Å; R447-D449 IonicContact NE-OD1 3.63Å; R447-D449 PolarHBondContact NE-OD1 3.11Å; R447-D449 IonicContact NE-OD2 3.66Å; R447-D449 PolarHBondContact NE-OD2 3.38Å; R447-D449 IonicContact NH2-OD1 3.21Å; R447-D449 IonicContact NH2-OD2 2.78Å; R447-D449 PolarHBondContact NH2-OD2 3.36Å; R447-D449 PolarHBondContact O-N 3.25Å; D449-A452 PolarHBondContact O-N 3.03Å; D449-V453 WeakPolarHBondContact O-CG2 3.38Å; D449-V453 PolarHBondContact O-N 3.43Å |
| 450 | I | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.9 | -35.5 | 179.6 | -56 | -54 | 0 | 0 | 0 | 111.3 | Y395 I429 L442 L444 R447 A452 V453 L454 | Y395-I450 HydrophobicContact CE1-CD1 3.84Å; I429-I450 HydrophobicContact CD1-CG2 4.04Å; I429-I450 HydrophobicContact CG2-CG2 3.78Å; L442-I450 HydrophobicContact CB-CG2 4.38Å; L442-I450 HydrophobicContact CD1-CD1 3.96Å; L442-I450 HydrophobicContact CD1-CG1 4.39Å; L442-I450 HydrophobicContact CD1-CG2 4.33Å; L444-I450 HydrophobicContact CD2-CB 4.38Å; L444-I450 HydrophobicContact CD2-CG2 3.62Å; R447-I450 HydrophobicContact CB-CB 4.11Å; R447-I450 HydrophobicContact CB-CG1 4.1Å; R447-I450 VanDerWaalsContact NH2-CG1 3.32Å; R447-I450 PolarHBondContact O-N 3.03Å; R447-I450 VanDerWaalsContact O-N 3.13Å; I450-A452 VanDerWaalsContact C-N 3.3Å; I450-A452 PolarHBondContact O-N 3.35Å; I450-V453 PolarHBondContact O-N 3.23Å; I450-L454 WeakPolarHBondContact O-CB 3.05Å; I450-L454 PolarHBondContact O-N 3.3Å |
| 451 | Q | 97.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 66.4 Ų | 66.4 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 173.1 | -68.9 | 176 | 26.4 | 0 | 0 | 111.3 | L444 R447 L454 V455 | L444-Q451 PolarHBondContact O-NE2 3.45Å; R447-Q451 WeakPolarHBondContact O-CG 3.16Å; R447-Q451 PolarHBondContact O-N 3.27Å; Q451-L454 PolarHBondContact O-N 3.39Å; Q451-V455 WeakPolarHBondContact O-CG2 3.31Å; Q451-V455 PolarHBondContact O-N 3.24Å |
| 452 | A | 97.9 | Very high | 97.1 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | P448 D449 I450 V455 Q456 | P448-A452 WeakPolarHBondContact O-CB 3.06Å; P448-A452 PolarHBondContact O-N 3.26Å; D449-A452 PolarHBondContact O-N 3.03Å; I450-A452 VanDerWaalsContact C-N 3.3Å; I450-A452 PolarHBondContact O-N 3.35Å; A452-V455 WeakPolarHBondContact O-CB 3.35Å; A452-V455 PolarHBondContact O-N 2.79Å; A452-Q456 PolarHBondContact O-N 2.89Å; A452-Q456 VanDerWaalsContact O-N 3.15Å |
| 453 | V | 98.1 | Very high | 97.1 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | Y395 I429 D449 I450 V455 Q456 I457 | Y395-V453 HydrophobicContact CD2-CB 4.41Å; Y395-V453 HydrophobicContact CD2-CG1 3.56Å; Y395-V453 HydrophobicContact CD2-CG2 4.08Å; Y395-V453 HydrophobicContact CE2-CG1 4.28Å; Y395-V453 HydrophobicContact CE2-CG2 3.99Å; Y395-V453 HydrophobicContact CG-CG1 3.74Å; I429-V453 HydrophobicContact CD1-CG1 4.1Å; D449-V453 WeakPolarHBondContact O-CG2 3.38Å; D449-V453 PolarHBondContact O-N 3.43Å; I450-V453 PolarHBondContact O-N 3.23Å; V453-V455 VanDerWaalsContact C-N 3.28Å; V453-V455 PolarHBondContact O-N 3.25Å; V453-Q456 WeakPolarHBondContact O-CB 3.45Å; V453-Q456 PolarHBondContact O-N 2.99Å; V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 HydrophobicContact CG1-CG1 4.36Å; V453-I457 PolarHBondContact O-N 3.21Å |
| 454 | L | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 179.2 | -178.9 | 60.4 | 0 | 0 | 0 | 112.2 | A397 P426 P427 I429 L444 I450 Q451 Q456 I457 K458 | A397-L454 HydrophobicContact CB-CD1 4.26Å; P426-L454 HydrophobicContact CB-CD2 4.25Å; P427-L454 HydrophobicContact CB-CD1 4.18Å; P427-L454 HydrophobicContact CG-CD1 4.07Å; I429-L454 HydrophobicContact CD1-CB 4.43Å; L444-L454 HydrophobicContact CD1-CD2 3.7Å; L444-L454 HydrophobicContact CD2-CD2 4.19Å; I450-L454 WeakPolarHBondContact O-CB 3.05Å; I450-L454 PolarHBondContact O-N 3.3Å; Q451-L454 PolarHBondContact O-N 3.39Å; L454-Q456 VanDerWaalsContact C-N 3.34Å; L454-I457 PolarHBondContact O-N 3.07Å; L454-K458 HydrophobicContact CD1-CG 4.47Å; L454-K458 HydrophobicContact CG-CD 4.41Å; L454-K458 WeakPolarHBondContact O-CB 3.26Å; L454-K458 VanDerWaalsContact O-CG 3.32Å; L454-K458 WeakPolarHBondContact O-CG 3.31Å; L454-K458 PolarHBondContact O-N 3.13Å |
| 455 | V | 98.4 | Very high | 97.4 | Very high | 91 Ų | 91 | 67.4 Ų | 67.4 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 172 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | Q451 A452 V453 K458 K459 | Q451-V455 WeakPolarHBondContact O-CG2 3.31Å; Q451-V455 PolarHBondContact O-N 3.24Å; A452-V455 WeakPolarHBondContact O-CB 3.35Å; A452-V455 PolarHBondContact O-N 2.79Å; V453-V455 VanDerWaalsContact C-N 3.28Å; V453-V455 PolarHBondContact O-N 3.25Å; V455-K458 PolarHBondContact O-N 3.2Å; V455-K459 PolarHBondContact O-N 3.16Å |
| 456 | Q | 98.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 176.3 | -60.7 | -53.4 | -22.5 | 0 | 0 | 112.3 | L392 A452 V453 L454 K458 K459 V460 | L392-Q456 HydrophobicContact CD2-CB 3.76Å; A452-Q456 PolarHBondContact O-N 2.89Å; A452-Q456 VanDerWaalsContact O-N 3.15Å; V453-Q456 WeakPolarHBondContact O-CB 3.45Å; V453-Q456 PolarHBondContact O-N 2.99Å; L454-Q456 VanDerWaalsContact C-N 3.34Å; Q456-K458 VanDerWaalsContact C-N 3.33Å; Q456-K458 PolarHBondContact O-N 2.71Å; Q456-K459 WeakPolarHBondContact O-CB 3.48Å; Q456-K459 PolarHBondContact O-N 2.77Å; Q456-K459 VanDerWaalsContact O-N 3.13Å; Q456-V460 WeakPolarHBondContact O-CG2 3.47Å; Q456-V460 PolarHBondContact O-N 3.36Å |
| 457 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176 | -69.5 | 171.1 | 0 | 0 | 0 | 110.9 | V390 L392 A397 F399 I429 V453 L454 K459 V460 K461 | V390-I457 HydrophobicContact CB-CG2 3.82Å; V390-I457 HydrophobicContact CG1-CG2 3.92Å; L392-I457 HydrophobicContact CB-CD1 4.38Å; L392-I457 HydrophobicContact CB-CG1 3.69Å; L392-I457 HydrophobicContact CD2-CG1 4.03Å; A397-I457 HydrophobicContact CB-CD1 4.06Å; A397-I457 HydrophobicContact CB-CG2 3.84Å; F399-I457 HydrophobicContact CE2-CG2 4.23Å; F399-I457 HydrophobicContact CZ-CG2 4.11Å; I429-I457 HydrophobicContact CD1-CD1 3.95Å; V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 HydrophobicContact CG1-CG1 4.36Å; V453-I457 PolarHBondContact O-N 3.21Å; L454-I457 PolarHBondContact O-N 3.07Å; I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 2.97Å; I457-V460 PolarHBondContact O-N 2.89Å; I457-K461 WeakPolarHBondContact O-CB 3.44Å; I457-K461 PolarHBondContact O-N 2.89Å |
| 458 | K | 98.7 | Very high | 97.9 | Very high | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.6 | -75.9 | 176.4 | 176.8 | -175.9 | 0 | 112.1 | F399 L454 V455 Q456 A462 | F399-K458 HydrophobicContact CE1-CG 4.04Å; F399-K458 HydrophobicContact CZ-CG 4.25Å; L454-K458 HydrophobicContact CD1-CG 4.47Å; L454-K458 HydrophobicContact CG-CD 4.41Å; L454-K458 WeakPolarHBondContact O-CB 3.26Å; L454-K458 VanDerWaalsContact O-CG 3.32Å; L454-K458 WeakPolarHBondContact O-CG 3.31Å; L454-K458 PolarHBondContact O-N 3.13Å; V455-K458 PolarHBondContact O-N 3.2Å; Q456-K458 VanDerWaalsContact C-N 3.33Å; Q456-K458 PolarHBondContact O-N 2.71Å; K458-A462 WeakPolarHBondContact O-CB 3.5Å; K458-A462 PolarHBondContact O-N 2.04Å |
| 459 | K | 98.7 | Very high | 97.8 | Very high | 113 Ų | 113 | 60 Ų | 60 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 174.9 | -176.3 | -176.5 | 175.5 | -172.8 | 0 | 111.5 | V455 Q456 I457 A462 Q463 | V455-K459 PolarHBondContact O-N 3.16Å; Q456-K459 WeakPolarHBondContact O-CB 3.48Å; Q456-K459 PolarHBondContact O-N 2.77Å; Q456-K459 VanDerWaalsContact O-N 3.13Å; I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 2.97Å; K459-A462 PolarHBondContact O-N 3.04Å; K459-Q463 HydrophobicContact CG-CG 4.42Å; K459-Q463 WeakPolarHBondContact O-CB 3.05Å; K459-Q463 VanDerWaalsContact O-CG 3.28Å; K459-Q463 WeakPolarHBondContact O-CG 3.32Å; K459-Q463 PolarHBondContact O-N 2.93Å |
| 460 | V | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | A373 M375 V390 L392 Q456 I457 A462 Q463 F464 | A373-V460 HydrophobicContact CB-CG1 3.91Å; M375-V460 HydrophobicContact CE-CG1 4.48Å; V390-V460 HydrophobicContact CG1-CG1 4.22Å; L392-V460 HydrophobicContact CD1-CG2 4.31Å; L392-V460 HydrophobicContact CD2-CG2 4.37Å; Q456-V460 WeakPolarHBondContact O-CG2 3.47Å; Q456-V460 PolarHBondContact O-N 3.36Å; I457-V460 PolarHBondContact O-N 2.89Å; V460-A462 PolarHBondContact O-N 3.04Å; V460-Q463 PolarHBondContact O-N 3.05Å; V460-F464 WeakPolarHBondContact O-CB 3.25Å; V460-F464 PolarHBondContact O-N 2.96Å |
| 461 | K | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55 | -53.4 | 174.1 | 175.6 | 171.3 | 162.3 | 72.5 | 0 | 111.2 | L387 V390 F399 I457 Q463 F464 E465 | L387-K461 HydrophobicContact CD1-CG 4.3Å; L387-K461 PolarHBondContact O-NZ 2.83Å; V390-K461 HydrophobicContact CG2-CB 3.99Å; V390-K461 HydrophobicContact CG2-CG 4.43Å; F399-K461 HydrophobicContact CD1-CD 4Å; F399-K461 HydrophobicContact CD2-CD 3.77Å; F399-K461 HydrophobicContact CE1-CD 3.71Å; F399-K461 HydrophobicContact CE2-CD 3.48Å; F399-K461 VanDerWaalsContact CE2-CD 3.48Å; F399-K461 HydrophobicContact CG-CD 4.04Å; F399-K461 HydrophobicContact CZ-CB 4.36Å; F399-K461 HydrophobicContact CZ-CD 3.45Å; F399-K461 VanDerWaalsContact CZ-CD 3.45Å; I457-K461 WeakPolarHBondContact O-CB 3.44Å; I457-K461 PolarHBondContact O-N 2.89Å; K461-Q463 VanDerWaalsContact C-N 3.35Å; K461-Q463 PolarHBondContact O-N 2.88Å; K461-F464 PolarHBondContact O-N 2.71Å; K461-E465 WeakPolarHBondContact CE-OE2 3.26Å; K461-E465 HydrophobicContact CG-CG 4.43Å; K461-E465 WeakPolarHBondContact CG-OE2 3.46Å; K461-E465 VanDerWaalsContact NZ-CD 3.27Å; K461-E465 IonicContact NZ-OE1 3.68Å; K461-E465 PolarHBondContact NZ-OE1 3.1Å; K461-E465 IonicContact NZ-OE2 3.12Å; K461-E465 PolarHBondContact NZ-OE2 2.67Å; K461-E465 WeakPolarHBondContact O-CB 3.47Å; K461-E465 WeakPolarHBondContact O-CG 3.19Å; K461-E465 PolarHBondContact O-N 3.09Å |
| 462 | A | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 61 Ų | 61 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K458 K459 V460 A466 | K458-A462 WeakPolarHBondContact O-CB 3.5Å; K458-A462 PolarHBondContact O-N 2.04Å; K459-A462 PolarHBondContact O-N 3.04Å; V460-A462 PolarHBondContact O-N 3.04Å; A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3Å |
| 463 | Q | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 59.5 Ų | 59.5 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 176.8 | -75 | 176.3 | -38.7 | 0 | 0 | 112 | K459 V460 K461 | K459-Q463 HydrophobicContact CG-CG 4.42Å; K459-Q463 WeakPolarHBondContact O-CB 3.05Å; K459-Q463 VanDerWaalsContact O-CG 3.28Å; K459-Q463 WeakPolarHBondContact O-CG 3.32Å; K459-Q463 PolarHBondContact O-N 2.93Å; V460-Q463 PolarHBondContact O-N 3.05Å; K461-Q463 VanDerWaalsContact C-N 3.35Å; K461-Q463 PolarHBondContact O-N 2.88Å |
| 464 | F | 98.1 | Very high | 98 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -51 | 176.3 | 178.9 | -93.1 | 0 | 0 | 0 | 111 | Y82 M375 Y377 L387 V460 K461 A466 T467 M468 | Y82-F464 AromaticContact CD2-CE2 3.86Å; Y82-F464 HydrophobicContact CD2-CE2 3.86Å; Y82-F464 AromaticContact CD2-CZ 3.57Å; Y82-F464 HydrophobicContact CD2-CZ 3.57Å; Y82-F464 AromaticContact CE2-CE2 3.76Å; Y82-F464 HydrophobicContact CE2-CE2 3.76Å; Y82-F464 AromaticContact CE2-CZ 3.69Å; Y82-F464 HydrophobicContact CE2-CZ 3.69Å; Y82-F464 HydrophobicContact CG-CZ 4.17Å; M375-F464 HydrophobicContact CB-CE1 4.28Å; M375-F464 HydrophobicContact CB-CZ 4.26Å; M375-F464 HydrophobicContact CE-CD2 3.78Å; M375-F464 HydrophobicContact CE-CE2 4.31Å; M375-F464 HydrophobicContact CE-CG 4.33Å; M375-F464 HydrophobicContact CG-CD1 4.13Å; M375-F464 HydrophobicContact CG-CD2 3.89Å; M375-F464 HydrophobicContact CG-CE1 4.2Å; M375-F464 HydrophobicContact CG-CE2 3.98Å; M375-F464 HydrophobicContact CG-CG 3.94Å; M375-F464 HydrophobicContact CG-CZ 4.11Å; M375-F464 HydrophobicContact SD-CD2 4.16Å; M375-F464 HydrophobicContact SD-CE2 4.16Å; Y377-F464 AromaticContact CE2-CE1 3.91Å; Y377-F464 HydrophobicContact CE2-CE1 3.91Å; Y377-F464 HydrophobicContact CE2-CZ 4.35Å; L387-F464 HydrophobicContact CD1-CD1 3.62Å; L387-F464 HydrophobicContact CD1-CE1 4.07Å; L387-F464 HydrophobicContact CD1-CG 4.37Å; L387-F464 HydrophobicContact CD2-CD1 4.39Å; L387-F464 HydrophobicContact CD2-CE1 4.01Å; L387-F464 HydrophobicContact CG-CD1 4.21Å; L387-F464 HydrophobicContact CG-CE1 4.3Å; V460-F464 WeakPolarHBondContact O-CB 3.25Å; V460-F464 PolarHBondContact O-N 2.96Å; K461-F464 PolarHBondContact O-N 2.71Å; F464-A466 VanDerWaalsContact C-N 3.3Å; F464-A466 PolarHBondContact O-N 3.49Å; F464-T467 PolarHBondContact O-N 2.94Å; F464-T467 PolarHBondContact O-OG1 3.19Å; F464-M468 HydrophobicContact CD1-CE 4.47Å; F464-M468 HydrophobicContact CE1-CE 3.45Å; F464-M468 VanDerWaalsContact CE1-CE 3.45Å; F464-M468 HydrophobicContact CE2-CE 4.1Å; F464-M468 HydrophobicContact CZ-CE 3.23Å; F464-M468 PolarHBondContact O-N 3.19Å |
| 465 | E | 97.4 | Very high | 98 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | -178.2 | -71.3 | -179.3 | 153.4 | 0 | 0 | 112.7 | G386 L387 K461 T467 M468 | G386-E465 WeakPolarHBondContact CA-OE1 3.33Å; L387-E465 HydrophobicContact CD1-CG 4.38Å; L387-E465 HydrophobicContact CG-CG 4.34Å; L387-E465 PolarHBondContact N-OE1 3.24Å; K461-E465 WeakPolarHBondContact CE-OE2 3.26Å; K461-E465 HydrophobicContact CG-CG 4.43Å; K461-E465 WeakPolarHBondContact CG-OE2 3.46Å; K461-E465 VanDerWaalsContact NZ-CD 3.27Å; K461-E465 IonicContact NZ-OE1 3.68Å; K461-E465 PolarHBondContact NZ-OE1 3.1Å; K461-E465 IonicContact NZ-OE2 3.12Å; K461-E465 PolarHBondContact NZ-OE2 2.67Å; K461-E465 WeakPolarHBondContact O-CB 3.47Å; K461-E465 WeakPolarHBondContact O-CG 3.19Å; K461-E465 PolarHBondContact O-N 3.09Å; E465-T467 PolarHBondContact O-N 3.21Å; E465-M468 PolarHBondContact O-N 2.91Å; E465-M468 VanDerWaalsContact O-N 3.11Å |
| 466 | A | 96.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 59 Ų | 59 | 72% | 0.719 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.5 | -22.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A462 F464 | A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3Å; F464-A466 VanDerWaalsContact C-N 3.3Å; F464-A466 PolarHBondContact O-N 3.49Å |
| 467 | T | 95.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -2 | 176.5 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | R85 F464 E465 | R85-T467 PolarHBondContact NH1-O 3.38Å; F464-T467 PolarHBondContact O-N 2.94Å; F464-T467 PolarHBondContact O-OG1 3.19Å; E465-T467 PolarHBondContact O-N 3.21Å |
| 468 | M | 97.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -85.7 | 119.8 | -178.4 | -176.2 | 55.5 | 65.6 | 0 | 0 | 109.8 | T84 R85 Y377 F464 E465 F470 | T84-M468 PolarHBondContact OG1-SD 2.89Å; T84-M468 VanDerWaalsContact OG1-SD 3.33Å; R85-M468 HydrophobicContact CG-CE 3.97Å; R85-M468 HydrophobicContact CG-SD 3.57Å; R85-M468 VanDerWaalsContact CG-SD 3.57Å; Y377-M468 HydrophobicContact CE2-CE 4.38Å; F464-M468 HydrophobicContact CD1-CE 4.47Å; F464-M468 HydrophobicContact CE1-CE 3.45Å; F464-M468 VanDerWaalsContact CE1-CE 3.45Å; F464-M468 HydrophobicContact CE2-CE 4.1Å; F464-M468 HydrophobicContact CZ-CE 3.23Å; F464-M468 PolarHBondContact O-N 3.19Å; E465-M468 PolarHBondContact O-N 2.91Å; E465-M468 VanDerWaalsContact O-N 3.11Å; M468-F470 HydrophobicContact CG-CD1 3.79Å; M468-F470 HydrophobicContact CG-CE1 3.64Å | ||
| 469 | I | 96.5 | Very high | 97.8 | Very high | 135 Ų | 135 | 61.2 Ų | 61.2 | 69% | 0.692 | 34% | 0.344 | S | S | * | . | trans | -115.7 | 117.5 | 169.8 | -57.3 | 174.6 | 0 | 0 | 0 | 105.7 | G471 | I469-G471 PolarHBondContact O-N 2.63Š| ||
| 470 | F | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 125.5 | 177.9 | -81.2 | 57.1 | 0 | 0 | 0 | 108.7 | T84 F89 Y377 P381 E383 M468 | T84-F470 HydrophobicContact CG2-CD2 4.22Å; T84-F470 HydrophobicContact CG2-CE2 3.69Å; T84-F470 HydrophobicContact CG2-CZ 3.89Å; T84-F470 CarbonylContact O-C 3.53Å; T84-F470 WeakPolarHBondContact O-CA 3.36Å; F89-F470 HydrophobicContact CE1-CD2 4.02Å; F89-F470 HydrophobicContact CE2-CD2 4Å; F89-F470 HydrophobicContact CZ-CB 4.16Å; F89-F470 AromaticContact CZ-CD2 3.6Å; F89-F470 HydrophobicContact CZ-CD2 3.6Å; F89-F470 HydrophobicContact CZ-CG 4.36Å; Y377-F470 AromaticContact CE1-CZ 3.85Å; Y377-F470 HydrophobicContact CE1-CZ 3.85Å; P381-F470 HydrophobicContact CB-CE2 4.05Å; P381-F470 HydrophobicContact CB-CZ 4.45Å; P381-F470 HydrophobicContact CG-CE2 4.5Å; E383-F470 HydrophobicContact CG-CD1 3.85Å; E383-F470 HydrophobicContact CG-CD2 4.46Å; E383-F470 HydrophobicContact CG-CE1 4.14Å; E383-F470 HydrophobicContact CG-CG 4.05Å; M468-F470 HydrophobicContact CG-CD1 3.79Å; M468-F470 HydrophobicContact CG-CE1 3.64Å |
| 471 | G | 97.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 61 Ų | 61 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 160.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T84 F89 I469 S473 | T84-G471 PolarHBondContact O-N 3.46Å; F89-G471 VanDerWaalsContact CZ-O 3.28Å; F89-G471 WeakPolarHBondContact CZ-O 3.38Å; I469-G471 PolarHBondContact O-N 2.63Å; G471-S473 PolarHBondContact O-N 2.7Å |
| 472 | E | 97.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 66.1 Ų | 66.1 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 125.3 | 171.8 | -176.6 | -162.5 | -160.5 | 0 | 0 | 109.7 | G87 Q474 K477 | G87-E472 WeakPolarHBondContact CA-O 3.31Å; E472-Q474 PolarHBondContact O-N 2.66Å; E472-Q474 PolarHBondContact O-NE2 2.85Å; E472-Q474 PolarHBondContact OE2-NE2 3.13Å; E472-K477 WeakPolarHBondContact OE1-CE 3.5Å; E472-K477 IonicContact OE1-NZ 2.85Å; E472-K477 WeakPolarHBondContact OE2-CE 3.16Å; E472-K477 IonicContact OE2-NZ 3.49Å; E472-K477 PolarHBondContact OE2-NZ 2.02Å |
| 473 | S | 98.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | trans | -59.6 | 108 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | F89 G471 I475 S476 | F89-S473 PolarHBondContact O-OG 3.23Å; G471-S473 PolarHBondContact O-N 2.7Å; S473-I475 VanDerWaalsContact C-N 3.35Å; S473-S476 WeakPolarHBondContact OG-CB 3.5Å; S473-S476 PolarHBondContact OG-N 3.47Å; S473-S476 PolarHBondContact OG-OG 3.16Å | ||
| 474 | Q | 98.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -73 | -30.8 | 178.8 | -61.6 | -53.8 | -60.8 | 0 | 0 | 111.6 | G87 I88 F93 G99 G100 P102 E472 K477 | G87-Q474 WeakPolarHBondContact O-CB 3.41Å; G87-Q474 PolarHBondContact O-N 3.37Å; I88-Q474 HydrophobicContact CD1-CB 4.25Å; I88-Q474 HydrophobicContact CD1-CG 4.07Å; F93-Q474 HydrophobicContact CE1-CB 4.01Å; F93-Q474 HydrophobicContact CZ-CB 3.85Å; G99-Q474 WeakPolarHBondContact CA-O 3.49Å; G100-Q474 WeakPolarHBondContact O-CG 3.26Å; P102-Q474 HydrophobicContact CG-CG 3.95Å; E472-Q474 PolarHBondContact O-N 2.66Å; E472-Q474 PolarHBondContact O-NE2 2.85Å; E472-Q474 PolarHBondContact OE2-NE2 3.13Å; Q474-K477 WeakPolarHBondContact O-CB 3.38Å; Q474-K477 PolarHBondContact O-N 2.97Å; Q474-K477 VanDerWaalsContact OE1-CE 3.31Å |
| 475 | I | 97.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -74.3 | -35.3 | 177.8 | -60.7 | 169.8 | 0 | 0 | 0 | 110.1 | P90 G91 F93 S473 K477 G478 | P90-I475 WeakPolarHBondContact O-CD1 3.15Å; P90-I475 VanDerWaalsContact O-CG2 3.26Å; P90-I475 WeakPolarHBondContact O-CG2 3.43Å; G91-I475 WeakPolarHBondContact O-CD1 3.37Å; F93-I475 HydrophobicContact CD1-CG1 3.75Å; F93-I475 HydrophobicContact CE1-CB 4.49Å; F93-I475 HydrophobicContact CE1-CG1 3.51Å; F93-I475 HydrophobicContact CG-CG1 4.38Å; F93-I475 HydrophobicContact CZ-CG1 3.97Å; S473-I475 VanDerWaalsContact C-N 3.35Å; I475-K477 PolarHBondContact O-N 3.13Å; I475-K477 VanDerWaalsContact O-N 3.14Å; I475-G478 PolarHBondContact O-N 3.23Å |
| 476 | S | 98.1 | Very high | 96.6 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -72.1 | -1.1 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | S473 G478 | S473-S476 WeakPolarHBondContact OG-CB 3.5Å; S473-S476 PolarHBondContact OG-N 3.47Å; S473-S476 PolarHBondContact OG-OG 3.16Å; S476-G478 PolarHBondContact O-N 2.92Å |
| 477 | K | 98.2 | Very high | 96.5 | Very high | 79 Ų | 79 | 55.4 Ų | 55.4 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -65.8 | -14.4 | 168.1 | -66.9 | -174.9 | 173.9 | 178 | 0 | 112.6 | I98 E472 Q474 I475 | I98-K477 HydrophobicContact CB-CB 4.14Å; I98-K477 VanDerWaalsContact CD1-O 3.32Å; I98-K477 WeakPolarHBondContact CD1-O 2.95Å; I98-K477 HydrophobicContact CG2-CB 4.12Å; E472-K477 WeakPolarHBondContact OE1-CE 3.5Å; E472-K477 IonicContact OE1-NZ 2.85Å; E472-K477 WeakPolarHBondContact OE2-CE 3.16Å; E472-K477 IonicContact OE2-NZ 3.49Å; E472-K477 PolarHBondContact OE2-NZ 2.02Å; Q474-K477 WeakPolarHBondContact O-CB 3.38Å; Q474-K477 PolarHBondContact O-N 2.97Å; Q474-K477 VanDerWaalsContact OE1-CE 3.31Å; I475-K477 PolarHBondContact O-N 3.13Å; I475-K477 VanDerWaalsContact O-N 3.14Å |
| 478 | G | 97.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | trans | 88.8 | -171.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I98 I475 S476 | I98-G478 WeakPolarHBondContact CB-O 2.96Å; I98-G478 WeakPolarHBondContact CG1-O 3.28Å; I98-G478 PolarHBondContact N-O 2.81Å; I475-G478 PolarHBondContact O-N 3.23Å; S476-G478 PolarHBondContact O-N 2.92Å | ||
| 479 | E | 96.9 | Very high | 95.9 | Very high | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -122.9 | 147.5 | -177.3 | -66.2 | 177.2 | -148.5 | 0 | 0 | 110.2 | G96 | G96-E479 CarbonylContact O-C 3.59Å; G96-E479 VanDerWaalsContact O-CA 3.29Å; G96-E479 WeakPolarHBondContact O-CA 3.41Å |
| 480 | N | 96.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | trans | -133.8 | 113.8 | 171.4 | 177.3 | -1.2 | 0 | 0 | 0 | 108.4 | G96 I98 D482 L483 | G96-N480 PolarHBondContact O-N 2.93Å; I98-N480 HydrophobicContact CD1-CB 4.26Å; I98-N480 HydrophobicContact CG1-CB 4.1Å; N480-D482 PolarHBondContact O-N 3.22Å; N480-D482 WeakPolarHBondContact OD1-CB 3.12Å; N480-D482 PolarHBondContact OD1-N 3.32Å; N480-L483 HydrophobicContact CB-CD1 3.97Å; N480-L483 HydrophobicContact CB-CG 3.92Å; N480-L483 WeakPolarHBondContact O-CB 3.48Å; N480-L483 PolarHBondContact O-N 3.45Å | ||
| 481 | P | 93.9 | Very high | 95 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -54.9 | -25 | 178 | -27.9 | 36 | 0 | 0 | 0 | 114 | L483 E484 K494 | P481-L483 PolarHBondContact O-N 2.67Å; P481-E484 WeakPolarHBondContact O-CB 3.39Å; P481-E484 WeakPolarHBondContact O-CG 3.45Å; P481-E484 PolarHBondContact O-N 3.02Å; P481-E484 VanDerWaalsContact O-N 3.17Å; P481-K494 WeakPolarHBondContact O-CE 3.24Å; P481-K494 PolarHBondContact O-NZ 3.41Å |
| 482 | D | 92.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 60.5 Ų | 60.5 | 68% | 0.684 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.3 | 175.9 | -67.1 | -28.4 | 0 | 0 | 0 | 112.6 | N480 E484 K494 | N480-D482 PolarHBondContact O-N 3.22Å; N480-D482 WeakPolarHBondContact OD1-CB 3.12Å; N480-D482 PolarHBondContact OD1-N 3.32Å; D482-E484 VanDerWaalsContact C-N 3.32Å; D482-K494 PolarHBondContact O-NZ 2.91Å; D482-K494 VanDerWaalsContact O-NZ 3.08Å |
| 483 | L | 94.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -79.4 | -14.2 | 177.2 | -57.3 | -178.9 | 0 | 0 | 0 | 113.4 | I98 A131 N480 P481 | I98-L483 HydrophobicContact CB-CD1 4.29Å; I98-L483 HydrophobicContact CG1-CD1 3.75Å; A131-L483 HydrophobicContact CB-CD2 3.8Å; N480-L483 HydrophobicContact CB-CD1 3.97Å; N480-L483 HydrophobicContact CB-CG 3.92Å; N480-L483 WeakPolarHBondContact O-CB 3.48Å; N480-L483 PolarHBondContact O-N 3.45Å; P481-L483 PolarHBondContact O-N 2.67Å |
| 484 | E | 95.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -57.5 | 128.7 | 177.2 | -68.6 | 179.4 | -156.4 | 0 | 0 | 110.5 | P95 V178 P481 D482 C486 K494 | P95-E484 HydrophobicContact CB-CG 4.16Å; V178-E484 HydrophobicContact CB-CB 4.4Å; V178-E484 HydrophobicContact CG1-CB 3.81Å; V178-E484 WeakPolarHBondContact CG1-OE2 3.46Å; V178-E484 HydrophobicContact CG2-CB 3.76Å; V178-E484 HydrophobicContact CG2-CG 4.36Å; V178-E484 PolarHBondContact N-OE2 3.33Å; P481-E484 WeakPolarHBondContact O-CB 3.39Å; P481-E484 WeakPolarHBondContact O-CG 3.45Å; P481-E484 PolarHBondContact O-N 3.02Å; P481-E484 VanDerWaalsContact O-N 3.17Å; D482-E484 VanDerWaalsContact C-N 3.32Å; E484-C486 PolarHBondContact O-N 3.1Å; E484-K494 PolarHBondContact O-NZ 3.18Å |
| 485 | P | 95.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | trans | -61.7 | 133.5 | -175.9 | 23.1 | -33.3 | 0 | 0 | 0 | 111.6 | Y129 Y150 V178 P181 I188 Q191 | Y129-P485 HydrophobicContact CD1-CB 4.36Å; Y129-P485 HydrophobicContact CD2-CB 4.45Å; Y129-P485 HydrophobicContact CE1-CB 3.82Å; Y129-P485 HydrophobicContact CE2-CB 3.9Å; Y129-P485 HydrophobicContact CE2-CG 4.45Å; Y150-P485 HydrophobicContact CE1-CG 3.9Å; Y150-P485 WeakPolarHBondContact OH-CG 3.48Å; V178-P485 HydrophobicContact CG2-CG 4.22Å; P181-P485 HydrophobicContact CG-CB 4.05Å; P181-P485 HydrophobicContact CG-CG 3.74Å; I188-P485 HydrophobicContact CD1-CB 3.82Å; Q191-P485 PolarHBondContact NE2-O 3.17Å | ||
| 486 | C | 95.7 | Very high | 93.7 | Very high | 23 Ų | 23 | 65 Ų | 65 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | trans | -139.2 | 120.8 | -178.7 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | E484 S488 C491 C498 | E484-C486 PolarHBondContact O-N 3.1Å; C486-S488 PolarHBondContact O-N 3.06Å; C486-S488 PolarHBondContact SG-O 3.27Å; C486-S488 VanDerWaalsContact SG-O 3.37Å; C486-C491 PolarHBondContact SG-SG 3.44Å; C486-C498 HydrophobicContact CB-CB 3.92Å; C486-C498 WeakPolarHBondContact CB-SG 3.15Å; C486-C498 VanDerWaalsContact SG-CA 3.51Å; C486-C498 WeakPolarHBondContact SG-CB 3.47Å; C486-C498 CovalentContact SG-SG 2.04Å; C486-C498 PolarHBondContact SG-SG 2.92Å | ||
| 487 | C | 94.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 20% | 0.203 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -74.6 | -8.9 | -179.4 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | I188 P489 C500 | I188-C487 HydrophobicContact CB-CB 3.83Å; I188-C487 HydrophobicContact CD1-CB 4.2Å; I188-C487 HydrophobicContact CG2-CB 3.62Å; C487-P489 WeakPolarHBondContact O-CD 3.47Å; C487-C500 HydrophobicContact CB-CB 4.11Å; C487-C500 WeakPolarHBondContact CB-SG 3.13Å; C487-C500 WeakPolarHBondContact SG-CB 3.47Å; C487-C500 PolarHBondContact SG-N 3.43Å; C487-C500 CovalentContact SG-SG 2.03Å; C487-C500 PolarHBondContact SG-SG 3.12Å |
| 488 | S | 92.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -115.2 | 82.9 | 167.8 | -69 | 0 | 0 | 0 | 0 | 109.8 | C486 G490 C491 | C486-S488 PolarHBondContact O-N 3.06Å; C486-S488 PolarHBondContact SG-O 3.27Å; C486-S488 VanDerWaalsContact SG-O 3.37Å; S488-G490 PolarHBondContact O-N 3.14Å; S488-C491 VanDerWaalsContact O-CB 3.28Å; S488-C491 WeakPolarHBondContact O-CB 3.32Å; S488-C491 PolarHBondContact O-N 3.09Å; S488-C491 VanDerWaalsContact O-N 3.1Å; S488-C491 PolarHBondContact O-SG 3.09Å; S488-C491 VanDerWaalsContact O-SG 3.4Å |
| 489 | P | 86.4 | Confident | 93.1 | Very high | 122 Ų | 122 | 61.5 Ų | 61.5 | 79% | 0.792 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 131.5 | -178.7 | -24.6 | 33.9 | 0 | 0 | 0 | 111.8 | C487 C491 | C487-P489 WeakPolarHBondContact O-CD 3.47Å; P489-C491 VanDerWaalsContact C-N 3.31Å; P489-C491 PolarHBondContact O-N 3.49Å |
| 490 | G | 84.9 | Confident | 93 | Very high | 83 Ų | 83 | 60 Ų | 60 | 86% | 0.856 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S488 | S488-G490 PolarHBondContact O-N 3.14Š|
| 491 | C | 90.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | trans | -63.8 | 152.7 | 173.4 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | C486 S488 P489 C497 | C486-C491 PolarHBondContact SG-SG 3.44Å; S488-C491 VanDerWaalsContact O-CB 3.28Å; S488-C491 WeakPolarHBondContact O-CB 3.32Å; S488-C491 PolarHBondContact O-N 3.09Å; S488-C491 VanDerWaalsContact O-N 3.1Å; S488-C491 PolarHBondContact O-SG 3.09Å; S488-C491 VanDerWaalsContact O-SG 3.4Å; P489-C491 VanDerWaalsContact C-N 3.31Å; P489-C491 PolarHBondContact O-N 3.49Å; C491-C497 HydrophobicContact CB-CB 3.65Å; C491-C497 WeakPolarHBondContact CB-SG 3.47Å; C491-C497 PolarHBondContact O-SG 3.07Å; C491-C497 VanDerWaalsContact O-SG 3.36Å; C491-C497 WeakPolarHBondContact SG-CB 3.34Å; C491-C497 PolarHBondContact SG-O 3.23Å; C491-C497 CovalentContact SG-SG 2.03Å; C491-C497 PolarHBondContact SG-SG 2.94Å | ||
| 492 | S | 91.8 | Very high | 92.8 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -143.8 | 136.4 | 176 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | C497 | S492-C497 PolarHBondContact N-SG 3.29Å; S492-C497 VanDerWaalsContact N-SG 3.38Å |
| 493 | P | 92.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | S | Bend | cis | -83.9 | 133.1 | 3.2 | 32 | -33.4 | 0 | 0 | 0 | 113.9 | T496 C497 | P493-T496 PolarHBondContact O-N 2.9Å; P493-T496 PolarHBondContact O-OG1 3.34Å; P493-C497 WeakPolarHBondContact O-CB 3.38Å; P493-C497 PolarHBondContact O-N 3.5Å; P493-C497 PolarHBondContact O-SG 3.11Å |
| 494 | K | 92.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 56.6 Ų | 56.6 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 142.5 | 167.5 | -169.2 | 177 | -173.6 | -177.1 | 0 | 109 | P481 D482 E484 | P481-K494 WeakPolarHBondContact O-CE 3.24Å; P481-K494 PolarHBondContact O-NZ 3.41Å; D482-K494 PolarHBondContact O-NZ 2.91Å; D482-K494 VanDerWaalsContact O-NZ 3.08Å; E484-K494 PolarHBondContact O-NZ 3.18Å |
| 495 | P | 93.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 59 Ų | 59 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -9.3 | 4.9 | 33.2 | -34.9 | 0 | 0 | 0 | 116.1 | V177 V178 C497 C498 | V177-P495 VanDerWaalsContact C-CB 3.5Å; V178-P495 HydrophobicContact CB-CB 4.4Å; V178-P495 HydrophobicContact CG1-CB 3.79Å; P495-C497 VanDerWaalsContact C-N 3.29Å; P495-C497 PolarHBondContact O-N 3.1Å; P495-C498 PolarHBondContact O-N 2.94Å |
| 496 | T | 92.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 59% | 0.589 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -14 | -168 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | P493 H499 | P493-T496 PolarHBondContact O-N 2.9Å; P493-T496 PolarHBondContact O-OG1 3.34Å; T496-H499 PolarHBondContact O-CD2 3.3Å; T496-H499 PolarHBondContact O-NE2 3.43Å |
| 497 | C | 93.5 | Very high | 92 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 20% | 0.203 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.1 | 175.2 | 64 | 0 | 0 | 0 | 0 | 114.2 | C491 S492 P493 P495 H499 | C491-C497 HydrophobicContact CB-CB 3.65Å; C491-C497 WeakPolarHBondContact CB-SG 3.47Å; C491-C497 PolarHBondContact O-SG 3.07Å; C491-C497 VanDerWaalsContact O-SG 3.36Å; C491-C497 WeakPolarHBondContact SG-CB 3.34Å; C491-C497 PolarHBondContact SG-O 3.23Å; C491-C497 CovalentContact SG-SG 2.03Å; C491-C497 PolarHBondContact SG-SG 2.94Å; S492-C497 PolarHBondContact N-SG 3.29Å; S492-C497 VanDerWaalsContact N-SG 3.38Å; P493-C497 WeakPolarHBondContact O-CB 3.38Å; P493-C497 PolarHBondContact O-N 3.5Å; P493-C497 PolarHBondContact O-SG 3.11Å; P495-C497 VanDerWaalsContact C-N 3.29Å; P495-C497 PolarHBondContact O-N 3.1Å; C497-H499 VanDerWaalsContact C-N 3.34Å; C497-H499 PolarHBondContact O-N 3.09Å |
| 498 | C | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 45% | 0.449 | C | S | . | . | trans | -80.1 | 79.5 | -176.5 | -62.9 | 0 | 0 | 0 | 0 | 111 | V178 Q191 C486 P495 | V178-C498 HydrophobicContact CG1-CB 4.03Å; Q191-C498 WeakPolarHBondContact CG-O 3.44Å; C486-C498 HydrophobicContact CB-CB 3.92Å; C486-C498 WeakPolarHBondContact CB-SG 3.15Å; C486-C498 VanDerWaalsContact SG-CA 3.51Å; C486-C498 WeakPolarHBondContact SG-CB 3.47Å; C486-C498 CovalentContact SG-SG 2.04Å; C486-C498 PolarHBondContact SG-SG 2.92Å; P495-C498 PolarHBondContact O-N 2.94Å | ||
| 499 | H | 93.6 | Very high | 91.8 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | trans | -137.6 | 137 | -177 | -70.5 | -59.8 | 0 | 0 | 0 | 115.4 | Q191 P192 T496 C497 | Q191-H499 WeakPolarHBondContact O-CA 3.23Å; Q191-H499 PolarHBondContact O-ND1 3.06Å; P192-H499 WeakPolarHBondContact CD-ND1 3.36Å; T496-H499 PolarHBondContact O-CD2 3.3Å; T496-H499 PolarHBondContact O-NE2 3.43Å; C497-H499 VanDerWaalsContact C-N 3.34Å; C497-H499 PolarHBondContact O-N 3.09Å | ||
| 500 | C | 94.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 57% | 0.568 | 43% | 0.428 | S | S | * | . | trans | -172.7 | 0 | 174.7 | 56.3 | 0 | 0 | 0 | 0 | 108.1 | Q191 C487 | Q191-C500 WeakPolarHBondContact CA-OXT 3.48Å; Q191-C500 PolarHBondContact N-OXT 2.81Å; Q191-C500 PolarHBondContact O-N 3.32Å; C487-C500 HydrophobicContact CB-CB 4.11Å; C487-C500 WeakPolarHBondContact CB-SG 3.13Å; C487-C500 WeakPolarHBondContact SG-CB 3.47Å; C487-C500 PolarHBondContact SG-N 3.43Å; C487-C500 CovalentContact SG-SG 2.03Å; C487-C500 PolarHBondContact SG-SG 3.12Å |
Retrieved 500 of 500 residues in 124.1 ms
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