| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.6 | Very low | 46.7 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 100% | 1.153 | 80% | 0.802 | S | S | * | * | 0 | 135.2 | 0 | -72.9 | 159.6 | 57.8 | 0 | 0 | 107.2 | |||||
| 2 | S | 43.1 | Very low | 46.5 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 57 | 121.4 | 168.6 | -79 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | E | 50.6 | Low | 46.4 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | 54.9 | 149.2 | 18.7 | -63.9 | -145 | 129.5 | 0 | 0 | 116.7 | ||||
| 4 | M | 44.8 | Very low | 46.3 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 65.7 | 35 | 169.9 | -67.7 | 174.1 | 57.4 | 0 | 0 | 118.4 | ||||
| 5 | T | 48.1 | Very low | 46.4 | Very low | 146 Ų | 146 | 149 Ų | 149 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -112.3 | 2.6 | 137.9 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | L7 | T5-L7 PolarHBondContact O-N 3.28Š|
| 6 | S | 53.4 | Low | 46.7 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 108.5 | 157.4 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 7 | L | 50 | Low | 46.5 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 177.6 | -47.2 | 131.6 | -116.9 | 64.6 | 0 | 0 | 0 | 111.6 | T5 | T5-L7 PolarHBondContact O-N 3.28Š|
| 8 | Y | 41.8 | Very low | 46.6 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -17.1 | -155.9 | -97 | -79.9 | 0 | 0 | 0 | 117.9 | ||
| 9 | L | 41.7 | Very low | 47 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 5 | 174.8 | -102.2 | 160.4 | 0 | 0 | 0 | 114.1 | F11 C12 | L9-F11 PolarHBondContact O-N 3.19Å; L9-C12 HydrophobicContact CD2-CB 4.22Å |
| 10 | V | 51 | Low | 47.8 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -66.7 | -21.4 | 166.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | ||
| 11 | F | 47 | Very low | 49.3 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -80.8 | -10.6 | -176.4 | -128 | -89.1 | 0 | 0 | 0 | 115.6 | L9 | L9-F11 PolarHBondContact O-N 3.19Š|
| 12 | C | 44.2 | Very low | 51.4 | Low | 90 Ų | 90 | 129.4 Ų | 129.4 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -115.5 | 13.8 | -179.4 | -74.8 | 0 | 0 | 0 | 0 | 114.4 | L9 | L9-C12 HydrophobicContact CD2-CB 4.22Š|
| 13 | L | 44.4 | Very low | 53.7 | Low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -110.1 | 12.6 | 173.3 | -87.9 | 167 | 0 | 0 | 0 | 114.4 | V15 | L13-V15 PolarHBondContact O-N 3.32Š| ||
| 14 | M | 46.1 | Very low | 55.7 | Low | 175 Ų | 175 | 122.5 Ų | 122.5 | 86% | 0.862 | 68% | 0.68 | S | S | * | * | trans | -88.8 | 49.3 | 155.9 | -69 | -68.3 | -83.4 | 0 | 0 | 110.2 | T16 | M14-T16 VanDerWaalsContact C-N 3.31Å; M14-T16 PolarHBondContact O-N 3.33Å | ||
| 15 | V | 47.4 | Very low | 58 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | trans | -69.4 | 98.9 | 165.2 | 177.6 | 0 | 0 | 0 | 0 | 106.7 | L13 A17 | L13-V15 PolarHBondContact O-N 3.32Å; V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.17Å | ||
| 16 | T | 51 | Low | 60.2 | Low | 118 Ų | 118 | 115.5 Ų | 115.5 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | -22.5 | 110.7 | 169.8 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | M14 A18 | M14-T16 VanDerWaalsContact C-N 3.31Å; M14-T16 PolarHBondContact O-N 3.33Å; T16-A18 PolarHBondContact O-N 3.43Å | ||
| 17 | A | 43.9 | Very low | 62.3 | Low | 99 Ų | 99 | 114 Ų | 114 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -62.5 | 87.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | V15 T19 | V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.17Å; A17-T19 PolarHBondContact O-N 3.26Å | ||
| 18 | A | 47.3 | Very low | 64.5 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | trans | -64.4 | 97.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T16 K20 | T16-A18 PolarHBondContact O-N 3.43Å; A18-K20 PolarHBondContact O-N 3.42Å | ||
| 19 | T | 55.1 | Low | 67.1 | Low | 135 Ų | 135 | 105 Ų | 105 | 83% | 0.828 | 59% | 0.587 | S | S | * | * | trans | -55.6 | 104.2 | 169.8 | 47.6 | 0 | 0 | 0 | 0 | 107 | A17 A21 | A17-T19 PolarHBondContact O-N 3.26Å; T19-A21 PolarHBondContact O-N 2.91Å | ||
| 20 | K | 62.3 | Low | 69.7 | Low | 178 Ų | 178 | 104 Ų | 104 | 77% | 0.774 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 117.6 | 176.9 | -77.1 | -173.1 | 174.4 | -176.9 | 0 | 107.4 | A18 A22 | A18-K20 PolarHBondContact O-N 3.42Å; K20-A22 PolarHBondContact O-N 3.08Å |
| 21 | A | 79.1 | Confident | 71.9 | Confident | 84 Ų | 84 | 101.5 Ų | 101.5 | 69% | 0.694 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T19 Y23 | T19-A21 PolarHBondContact O-N 2.91Å; A21-Y23 PolarHBondContact O-N 3.33Å |
| 22 | A | 87.4 | Confident | 74.3 | Confident | 23 Ų | 23 | 97.2 Ų | 97.2 | 19% | 0.19 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -58.4 | 139.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K20 I45 V46 L108 | K20-A22 PolarHBondContact O-N 3.08Å; A22-I45 HydrophobicContact CB-CG2 4.28Å; A22-V46 WeakPolarHBondContact CA-O 3.34Å; A22-L108 HydrophobicContact CB-CD1 3.71Å; A22-L108 WeakPolarHBondContact O-CD1 3.4Å |
| 23 | Y | 90.4 | Very high | 76.8 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 45% | 0.451 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.1 | -177.1 | 71.1 | -81.7 | 0 | 0 | 0 | 111.1 | A21 S25 I45 V46 | A21-Y23 PolarHBondContact O-N 3.33Å; Y23-S25 PolarHBondContact O-N 3.25Å; Y23-I45 CarbonylContact O-C 3.45Å; Y23-I45 WeakPolarHBondContact O-CA 3.34Å; Y23-V46 HydrophobicContact CD1-CB 4.28Å; Y23-V46 HydrophobicContact CE1-CB 3.74Å; Y23-V46 HydrophobicContact CE1-CG1 3.7Å; Y23-V46 HydrophobicContact CE2-CB 4.37Å; Y23-V46 PolarHBondContact N-O 3.35Å; Y23-V46 PolarHBondContact O-N 3.42Å |
| 24 | F | 93.5 | Very high | 79.3 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 13% | 0.132 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.1 | 173 | -61.4 | -86 | 0 | 0 | 0 | 110.3 | Q27 V44 I45 L108 R109 S110 | F24-Q27 HydrophobicContact CB-CG 3.31Å; F24-Q27 HydrophobicContact CD1-CG 3.98Å; F24-Q27 HydrophobicContact CD2-CG 4.26Å; F24-Q27 HydrophobicContact CG-CG 3.62Å; F24-V44 CarbonylContact C-O 3.57Å; F24-V44 VanDerWaalsContact CA-O 3.32Å; F24-V44 WeakPolarHBondContact CA-O 3.44Å; F24-I45 HydrophobicContact CD1-CD1 4.16Å; F24-I45 HydrophobicContact CD1-CG1 3.71Å; F24-I45 HydrophobicContact CE1-CD1 3.59Å; F24-I45 HydrophobicContact CE1-CG1 3.69Å; F24-I45 HydrophobicContact CZ-CD1 4.18Å; F24-L108 HydrophobicContact CE2-CB 3.88Å; F24-L108 HydrophobicContact CZ-CB 4.03Å; F24-R109 VanDerWaalsContact CE2-C 3.47Å; F24-R109 WeakPolarHBondContact CE2-O 3.43Å; F24-R109 VanDerWaalsContact CZ-C 3.46Å; F24-S110 VanDerWaalsContact CZ-N 3.34Å |
| 25 | S | 93.5 | Very high | 81.7 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -28.7 | 165.8 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | Y23 V44 | Y23-S25 PolarHBondContact O-N 3.25Å; S25-V44 PolarHBondContact N-O 2.9Å; S25-V44 WeakPolarHBondContact OG-CB 3.49Å; S25-V44 WeakPolarHBondContact OG-CG1 3.45Å; S25-V44 PolarHBondContact OG-O 3.43Å |
| 26 | Q | 94.6 | Very high | 84 | Confident | 107 Ų | 107 | 80 Ų | 80 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.5 | 169 | -56.2 | -174.5 | 36.5 | 0 | 0 | 109.5 | P42 V44 | Q26-P42 HydrophobicContact CB-CB 4.44Å; Q26-V44 HydrophobicContact CB-CB 4.02Å; Q26-V44 HydrophobicContact CB-CG2 3.97Å; Q26-V44 HydrophobicContact CG-CB 4.27Å; Q26-V44 HydrophobicContact CG-CG2 4.15Å; Q26-V44 PolarHBondContact N-O 2.95Å; Q26-V44 PolarHBondContact O-N 3.3Å |
| 27 | Q | 95.7 | Very high | 86.1 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 27% | 0.271 | 46% | 0.455 | S | S | . | . | trans | -129.1 | 153.1 | 177 | -65.5 | -168.1 | 57.5 | 0 | 0 | 109 | F24 P42 S110 H111 | F24-Q27 HydrophobicContact CB-CG 3.31Å; F24-Q27 HydrophobicContact CD1-CG 3.98Å; F24-Q27 HydrophobicContact CD2-CG 4.26Å; F24-Q27 HydrophobicContact CG-CG 3.62Å; Q27-P42 CarbonylContact C-O 3.58Å; Q27-P42 VanDerWaalsContact C-O 3.25Å; Q27-S110 VanDerWaalsContact OE1-CA 3.3Å; Q27-H111 PolarHBondContact OE1-CD2 2.88Å | ||
| 28 | P | 96.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.019 | 44% | 0.437 | C | S | . | . | trans | -67.5 | 150.7 | 175.6 | 31 | -36 | 0 | 0 | 0 | 110.4 | L41 P42 W54 A113 | P28-L41 HydrophobicContact CB-CB 4.25Å; P28-P42 WeakPolarHBondContact CA-O 3.47Å; P28-P42 WeakPolarHBondContact CD-O 3.44Å; P28-W54 HydrophobicContact CB-CH2 3.85Å; P28-W54 HydrophobicContact CB-CZ3 4.21Å; P28-W54 HydrophobicContact CG-CH2 3.76Å; P28-W54 HydrophobicContact CG-CZ3 3.93Å; P28-A113 HydrophobicContact CB-CB 3.64Å; P28-A113 HydrophobicContact CG-CB 4.01Å | ||
| 29 | Q | 96.4 | Very high | 91 | Very high | 150 Ų | 150 | 74.6 Ų | 74.6 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | trans | -127.1 | 162.6 | 174.6 | -62.8 | -178.6 | -3.5 | 0 | 0 | 107.7 | Q31 | Q29-Q31 PolarHBondContact O-N 3.4Š| ||
| 30 | D | 97.6 | Very high | 93 | Very high | 117 Ų | 117 | 71.2 Ų | 71.2 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -56.6 | 130 | 176.2 | -67.4 | 1 | 0 | 0 | 0 | 110 | A113 K114 | D30-A113 WeakPolarHBondContact OD1-CA 3.29Å; D30-K114 VanDerWaalsContact CA-O 3.3Å; D30-K114 WeakPolarHBondContact CA-O 3.49Å; D30-K114 PolarHBondContact OD1-N 3.3Å | ||
| 31 | Q | 97.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.8 | -177.3 | -76.1 | -170.2 | 41.9 | 0 | 0 | 110.9 | Q29 T40 L41 K114 L115 T116 | Q29-Q31 PolarHBondContact O-N 3.4Å; Q31-T40 PolarHBondContact NE2-O 3.15Å; Q31-T40 PolarHBondContact OE1-O 2.71Å; Q31-L41 HydrophobicContact CB-CD2 4.29Å; Q31-L41 HydrophobicContact CG-CD2 4.28Å; Q31-K114 PolarHBondContact N-O 3.02Å; Q31-L115 HydrophobicContact CB-CD1 4.01Å; Q31-T116 PolarHBondContact O-N 2.83Å |
| 32 | V | 96.9 | Very high | 95.4 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.5 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | T116 L118 | V32-T116 WeakPolarHBondContact CA-O 3.34Å; V32-L118 HydrophobicContact CG1-CD1 3.42Å; V32-L118 VanDerWaalsContact CG1-CD1 3.42Å; V32-L118 HydrophobicContact CG1-CD2 3.8Å; V32-L118 HydrophobicContact CG1-CG 3.47Å; V32-L118 VanDerWaalsContact CG1-CG 3.47Å |
| 33 | V | 97.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.7 | -177 | 64.9 | 0 | 0 | 0 | 0 | 109.7 | Q37 V39 A91 L115 T116 V117 L118 | V33-Q37 HydrophobicContact CG2-CB 3.75Å; V33-V39 HydrophobicContact CB-CB 4.18Å; V33-V39 HydrophobicContact CB-CG1 4.44Å; V33-V39 HydrophobicContact CB-CG2 4.42Å; V33-V39 HydrophobicContact CG1-CG1 4.26Å; V33-V39 HydrophobicContact CG2-CB 3.97Å; V33-V39 HydrophobicContact CG2-CG1 4.35Å; V33-A91 HydrophobicContact CG1-CB 3.71Å; V33-A91 HydrophobicContact CG2-CB 4.11Å; V33-L115 HydrophobicContact CB-CD1 4.45Å; V33-L115 HydrophobicContact CG1-CD1 3.82Å; V33-L115 HydrophobicContact CG1-CG 4.29Å; V33-T116 PolarHBondContact N-O 3.44Å; V33-V117 HydrophobicContact CG1-CB 4.39Å; V33-V117 HydrophobicContact CG1-CG1 4.43Å; V33-V117 HydrophobicContact CG1-CG2 3.84Å; V33-V117 CarbonylContact O-C 3.54Å; V33-V117 WeakPolarHBondContact O-CA 3.27Å; V33-L118 PolarHBondContact O-N 3.41Å |
| 34 | V | 97 | Very high | 96 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.3 | 172 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | G36 Q37 L118 A207 | V34-G36 PolarHBondContact O-N 3.18Å; V34-Q37 HydrophobicContact CB-CG 4.22Å; V34-Q37 WeakPolarHBondContact O-CB 3.5Å; V34-Q37 PolarHBondContact O-N 3.41Å; V34-L118 HydrophobicContact CG2-CD1 4.36Å; V34-A207 HydrophobicContact CG1-CB 3.84Å; V34-A207 HydrophobicContact CG2-CB 4.39Å |
| 35 | Q | 95.8 | Very high | 96 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 131.4 | 177.4 | -174 | 179.6 | -1.6 | 0 | 0 | 111.6 | A91 V117 L118 | Q35-A91 CarbonylContact C-O 3.56Å; Q35-A91 WeakPolarHBondContact CA-O 3.5Å; Q35-A91 WeakPolarHBondContact CG-O 3.42Å; Q35-V117 HydrophobicContact CB-CG1 4.17Å; Q35-L118 PolarHBondContact N-O 2.91Å |
| 36 | G | 94.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -6.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | V34 A91 | V34-G36 PolarHBondContact O-N 3.18Å; G36-A91 PolarHBondContact N-O 3.08Å |
| 37 | Q | 96.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | trans | -89.9 | 148.5 | 169.6 | -62.5 | -179.5 | -26.7 | 0 | 0 | 111.3 | V33 V34 A91 | V33-Q37 HydrophobicContact CG2-CB 3.75Å; V34-Q37 HydrophobicContact CB-CG 4.22Å; V34-Q37 WeakPolarHBondContact O-CB 3.5Å; V34-Q37 PolarHBondContact O-N 3.41Å; Q37-A91 VanDerWaalsContact O-CB 3.27Å; Q37-A91 WeakPolarHBondContact O-CB 3.42Å; Q37-A91 PolarHBondContact O-N 2.89Å | ||
| 38 | S | 96.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | trans | -88.5 | 143.1 | 178.1 | -42.2 | 0 | 0 | 0 | 0 | 110.9 | I88 D89 S90 | S38-I88 CarbonylContact C-O 3.48Å; S38-I88 VanDerWaalsContact CA-O 3.24Å; S38-I88 WeakPolarHBondContact CA-O 3.49Å; S38-D89 WeakPolarHBondContact CB-OD1 3.06Å; S38-D89 PolarHBondContact OG-OD1 2.84Å; S38-S90 PolarHBondContact OG-N 2.95Å | ||
| 39 | V | 97.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.7 | -172.9 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | V33 I88 A91 L115 | V33-V39 HydrophobicContact CB-CB 4.18Å; V33-V39 HydrophobicContact CB-CG1 4.44Å; V33-V39 HydrophobicContact CB-CG2 4.42Å; V33-V39 HydrophobicContact CG1-CG1 4.26Å; V33-V39 HydrophobicContact CG2-CB 3.97Å; V33-V39 HydrophobicContact CG2-CG1 4.35Å; V39-I88 HydrophobicContact CG1-CB 3.92Å; V39-I88 HydrophobicContact CG1-CD1 4.4Å; V39-I88 HydrophobicContact CG1-CG1 4.42Å; V39-I88 PolarHBondContact N-O 3.49Å; V39-I88 PolarHBondContact O-N 3.3Å; V39-A91 HydrophobicContact CG1-CB 4.49Å; V39-L115 HydrophobicContact CG1-CD1 4.19Å; V39-L115 HydrophobicContact CG1-CD2 4Å; V39-L115 HydrophobicContact CG2-CD1 4.07Å |
| 40 | T | 96.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 52 Ų | 52 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.2 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | Q31 P42 L86 | Q31-T40 PolarHBondContact NE2-O 3.15Å; Q31-T40 PolarHBondContact OE1-O 2.71Å; T40-P42 WeakPolarHBondContact O-CD 3.35Å; T40-L86 CarbonylContact C-O 3.58Å; T40-L86 WeakPolarHBondContact CA-O 3.2Å |
| 41 | L | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.2 | 173.1 | -56.2 | -177.2 | 0 | 0 | 0 | 109 | P28 Q31 W54 S85 L86 Y99 | P28-L41 HydrophobicContact CB-CB 4.25Å; Q31-L41 HydrophobicContact CB-CD2 4.29Å; Q31-L41 HydrophobicContact CG-CD2 4.28Å; L41-W54 HydrophobicContact CB-CH2 3.61Å; L41-W54 HydrophobicContact CB-CZ2 4.3Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.21Å; L41-W54 WeakPolarHBondContact O-CZ2 3.47Å; L41-S85 CarbonylContact O-C 3.52Å; L41-S85 WeakPolarHBondContact O-CA 3.3Å; L41-S85 WeakPolarHBondContact O-CB 3.46Å; L41-L86 HydrophobicContact CB-CB 4.36Å; L41-L86 PolarHBondContact N-O 3.05Å; L41-L86 PolarHBondContact O-N 3.04Å; L41-Y99 HydrophobicContact CD1-CD1 4.1Å; L41-Y99 HydrophobicContact CD1-CD2 3.67Å; L41-Y99 HydrophobicContact CD1-CE2 4.36Å; L41-Y99 HydrophobicContact CD1-CG 3.52Å |
| 42 | P | 95.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 20% | 0.195 | 28% | 0.282 | C | S | . | . | trans | -72.3 | 137.1 | -173.2 | 28.3 | -34.7 | 0 | 0 | 0 | 111.9 | Q26 Q27 P28 T40 S85 | Q26-P42 HydrophobicContact CB-CB 4.44Å; Q27-P42 CarbonylContact C-O 3.58Å; Q27-P42 VanDerWaalsContact C-O 3.25Å; P28-P42 WeakPolarHBondContact CA-O 3.47Å; P28-P42 WeakPolarHBondContact CD-O 3.44Å; T40-P42 WeakPolarHBondContact O-CD 3.35Å; P42-S85 WeakPolarHBondContact CA-OG 3.45Å | ||
| 43 | C | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -146.8 | 118.8 | 166.4 | -176 | 0 | 0 | 0 | 0 | 109.6 | W54 H84 S85 C101 | C43-W54 HydrophobicContact CB-CH2 4.1Å; C43-W54 HydrophobicContact CB-CZ2 3.39Å; C43-H84 CarbonylContact O-C 3.6Å; C43-H84 PolarHBondContact O-N 2.81Å; C43-S85 PolarHBondContact N-OG 2.6Å; C43-S85 VanDerWaalsContact N-OG 3.16Å; C43-C101 HydrophobicContact CB-CB 3.77Å; C43-C101 WeakPolarHBondContact CB-SG 3.35Å; C43-C101 WeakPolarHBondContact SG-CB 3.41Å; C43-C101 CovalentContact SG-SG 2.04Å; C43-C101 PolarHBondContact SG-SG 3Å | ||
| 44 | V | 94.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 120.8 | -179.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | F24 S25 Q26 G82 E83 | F24-V44 CarbonylContact C-O 3.57Å; F24-V44 VanDerWaalsContact CA-O 3.32Å; F24-V44 WeakPolarHBondContact CA-O 3.44Å; S25-V44 PolarHBondContact N-O 2.9Å; S25-V44 WeakPolarHBondContact OG-CB 3.49Å; S25-V44 WeakPolarHBondContact OG-CG1 3.45Å; S25-V44 PolarHBondContact OG-O 3.43Å; Q26-V44 HydrophobicContact CB-CB 4.02Å; Q26-V44 HydrophobicContact CB-CG2 3.97Å; Q26-V44 HydrophobicContact CG-CB 4.27Å; Q26-V44 HydrophobicContact CG-CG2 4.15Å; Q26-V44 PolarHBondContact N-O 2.95Å; Q26-V44 PolarHBondContact O-N 3.3Å; V44-G82 CarbonylContact C-O 3.46Å; V44-G82 WeakPolarHBondContact CA-O 3.42Å; V44-E83 HydrophobicContact CG1-CG 3.94Å; V44-E83 HydrophobicContact CG2-CB 4.43Å; V44-E83 HydrophobicContact CG2-CG 3.94Å |
| 45 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 96.6 | -171.6 | -45.6 | -175.5 | 0 | 0 | 0 | 109.7 | A22 Y23 F24 G47 Y48 V52 G82 A103 L108 | A22-I45 HydrophobicContact CB-CG2 4.28Å; Y23-I45 CarbonylContact O-C 3.45Å; Y23-I45 WeakPolarHBondContact O-CA 3.34Å; F24-I45 HydrophobicContact CD1-CD1 4.16Å; F24-I45 HydrophobicContact CD1-CG1 3.71Å; F24-I45 HydrophobicContact CE1-CD1 3.59Å; F24-I45 HydrophobicContact CE1-CG1 3.69Å; F24-I45 HydrophobicContact CZ-CD1 4.18Å; I45-G47 PolarHBondContact O-N 3.2Å; I45-Y48 HydrophobicContact CG2-CG 4.38Å; I45-Y48 PolarHBondContact O-N 2.95Å; I45-V52 HydrophobicContact CD1-CG1 4.32Å; I45-V52 HydrophobicContact CD1-CG2 3.85Å; I45-G82 PolarHBondContact N-O 3.08Å; I45-A103 HydrophobicContact CD1-CB 3.71Å; I45-L108 HydrophobicContact CG2-CD1 3.85Å |
| 46 | V | 90.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 130.4 | -179.5 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | A22 Y23 | A22-V46 WeakPolarHBondContact CA-O 3.34Å; Y23-V46 HydrophobicContact CD1-CB 4.28Å; Y23-V46 HydrophobicContact CE1-CB 3.74Å; Y23-V46 HydrophobicContact CE1-CG1 3.7Å; Y23-V46 HydrophobicContact CE2-CB 4.37Å; Y23-V46 PolarHBondContact N-O 3.35Å; Y23-V46 PolarHBondContact O-N 3.42Å |
| 47 | G | 86.9 | Confident | 92.6 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I45 | I45-G47 PolarHBondContact O-N 3.2Š|
| 48 | Y | 87.6 | Confident | 92.3 | Very high | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | trans | -109.9 | 149.7 | 172.4 | -172.9 | -111 | 0 | 0 | 0 | 111.2 | I45 G50 M51 V52 A103 Q105 A106 | I45-Y48 HydrophobicContact CG2-CG 4.38Å; I45-Y48 PolarHBondContact O-N 2.95Å; Y48-G50 WeakPolarHBondContact CE1-O 3.08Å; Y48-G50 VanDerWaalsContact CZ-CA 3.43Å; Y48-M51 WeakPolarHBondContact CE1-O 3.25Å; Y48-M51 PolarHBondContact OH-O 3.25Å; Y48-V52 HydrophobicContact CD1-CG2 3.86Å; Y48-V52 HydrophobicContact CE1-CG2 3.56Å; Y48-A103 HydrophobicContact CD1-CB 4.01Å; Y48-A103 HydrophobicContact CE1-CB 3.57Å; Y48-A103 HydrophobicContact CE2-CB 4.22Å; Y48-A103 HydrophobicContact CG-CB 4.47Å; Y48-Q105 HydrophobicContact CE2-CB 4.36Å; Y48-A106 HydrophobicContact CD2-CB 3.75Å; Y48-A106 HydrophobicContact CE2-CB 3.65Å | ||
| 49 | R | 81.4 | Confident | 92.2 | Very high | 198 Ų | 198 | 44 Ų | 44 | 75% | 0.747 | 26% | 0.256 | S | S | * | . | trans | -144.3 | 15 | 177.4 | -71.5 | -173.8 | 169.2 | 166.2 | -2.7 | 113 | L80 | R49-L80 PolarHBondContact NE-O 3.41Š| ||
| 50 | G | 83.8 | Confident | 92 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -87.6 | -174.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y48 | Y48-G50 WeakPolarHBondContact CE1-O 3.08Å; Y48-G50 VanDerWaalsContact CZ-CA 3.43Å |
| 51 | M | 85.4 | Confident | 91.7 | Very high | 98 Ų | 98 | 43 Ų | 43 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | trans | -66.8 | 142.3 | 172.1 | 65.6 | -173.5 | -65.1 | 0 | 0 | 111.4 | Y48 | Y48-M51 WeakPolarHBondContact CE1-O 3.25Å; Y48-M51 PolarHBondContact OH-O 3.25Å | ||
| 52 | V | 91.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -120.9 | 132.1 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | I45 Y48 G63 H84 C101 A103 | I45-V52 HydrophobicContact CD1-CG1 4.32Å; I45-V52 HydrophobicContact CD1-CG2 3.85Å; Y48-V52 HydrophobicContact CD1-CG2 3.86Å; Y48-V52 HydrophobicContact CE1-CG2 3.56Å; V52-G63 VanDerWaalsContact O-CA 3.22Å; V52-G63 WeakPolarHBondContact O-CA 3.49Å; V52-H84 HydrophobicContact CB-CB 3.88Å; V52-H84 HydrophobicContact CG1-CB 3.88Å; V52-H84 HydrophobicContact CG2-CB 4.25Å; V52-H84 WeakPolarHBondContact CG2-CD2 3.33Å; V52-H84 WeakPolarHBondContact CG2-NE2 3.41Å; V52-C101 WeakPolarHBondContact CG1-SG 3.44Å; V52-A103 HydrophobicContact CG2-CB 4.22Å | ||
| 53 | Q | 92.8 | Very high | 90.6 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.2 | -178.6 | 175.2 | 177.4 | -86.3 | 0 | 0 | 109.8 | A60 G62 Q102 | Q53-A60 HydrophobicContact CG-CB 4.36Å; Q53-G62 WeakPolarHBondContact CA-O 3.32Å; Q53-Q102 PolarHBondContact N-O 2.98Å; Q53-Q102 PolarHBondContact O-N 2.62Å |
| 54 | W | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 151.1 | 166.6 | -78.6 | 85.1 | 0 | 0 | 0 | 111.7 | P28 L41 C43 L61 G62 L75 H84 L86 C101 | P28-W54 HydrophobicContact CB-CH2 3.85Å; P28-W54 HydrophobicContact CB-CZ3 4.21Å; P28-W54 HydrophobicContact CG-CH2 3.76Å; P28-W54 HydrophobicContact CG-CZ3 3.93Å; L41-W54 HydrophobicContact CB-CH2 3.61Å; L41-W54 HydrophobicContact CB-CZ2 4.3Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.21Å; L41-W54 WeakPolarHBondContact O-CZ2 3.47Å; C43-W54 HydrophobicContact CB-CH2 4.1Å; C43-W54 HydrophobicContact CB-CZ2 3.39Å; W54-L61 HydrophobicContact CB-CD1 4.01Å; W54-L61 PolarHBondContact O-N 3.47Å; W54-G62 PolarHBondContact N-O 3.35Å; W54-L75 VanDerWaalsContact CD1-CD2 3.48Å; W54-H84 PolarHBondContact NE1-O 3.07Å; W54-L86 HydrophobicContact CB-CD1 4.45Å; W54-L86 HydrophobicContact CB-CD2 4.18Å; W54-L86 HydrophobicContact CD2-CB 3.79Å; W54-L86 HydrophobicContact CD2-CD2 4.03Å; W54-L86 HydrophobicContact CD2-CG 4.44Å; W54-L86 HydrophobicContact CE3-CB 4.34Å; W54-L86 HydrophobicContact CE3-CD2 4.14Å; W54-L86 HydrophobicContact CG-CB 4.07Å; W54-L86 HydrophobicContact CG-CD1 4.27Å; W54-L86 HydrophobicContact CG-CD2 4.08Å; W54-L86 HydrophobicContact CG-CG 4.39Å; W54-L86 HydrophobicContact CH2-CB 4.38Å; W54-L86 HydrophobicContact CZ2-CB 3.85Å; W54-C101 HydrophobicContact CD2-CB 4.04Å; W54-C101 HydrophobicContact CE3-CB 4.1Å; W54-C101 HydrophobicContact CH2-CB 3.96Å; W54-C101 HydrophobicContact CZ2-CB 3.87Å; W54-C101 HydrophobicContact CZ3-CB 4.05Å |
| 55 | T | 95.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152.5 | 169.3 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | L59 Y99 E100 Q102 | T55-L59 CarbonylContact C-O 3.55Å; T55-L59 WeakPolarHBondContact CA-O 3.34Å; T55-L59 WeakPolarHBondContact CB-O 3.32Å; T55-Y99 VanDerWaalsContact O-CA 3.25Å; T55-Y99 WeakPolarHBondContact O-CA 3.37Å; T55-Y99 WeakPolarHBondContact O-CD1 3.47Å; T55-E100 PolarHBondContact N-O 3.11Å; T55-E100 PolarHBondContact O-N 2.9Å; T55-E100 WeakPolarHBondContact OG1-CB 3.4Å; T55-E100 PolarHBondContact OG1-O 3.29Å; T55-E100 VanDerWaalsContact OG1-O 3.13Å; T55-Q102 PolarHBondContact OG1-NE2 2.89Å |
| 56 | K | 95.7 | Very high | 89.4 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.2 | 177.7 | 178.7 | 179 | 179.7 | 175.8 | 0 | 108.1 | G58 L59 L61 W70 Y73 A94 D95 A97 Y99 | K56-G58 PolarHBondContact O-N 2.94Å; K56-G58 VanDerWaalsContact O-N 3.08Å; K56-L59 PolarHBondContact N-O 3.32Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 2.92Å; K56-L61 HydrophobicContact CB-CD1 4.34Å; K56-L61 HydrophobicContact CB-CD2 3.81Å; K56-L61 HydrophobicContact CB-CG 4.23Å; K56-L61 HydrophobicContact CD-CD2 4.36Å; K56-W70 HydrophobicContact CD-CH2 4.33Å; K56-W70 HydrophobicContact CD-CZ3 4.21Å; K56-Y73 WeakPolarHBondContact CE-OH 3.48Å; K56-Y73 PolarHBondContact NZ-OH 3.45Å; K56-A94 WeakPolarHBondContact CE-O 3.4Å; K56-A94 PolarHBondContact NZ-O 3.3Å; K56-D95 IonicContact NZ-OD1 2.75Å; K56-D95 PolarHBondContact NZ-OD1 3.15Å; K56-A97 HydrophobicContact CD-CB 4.4Å; K56-A97 HydrophobicContact CG-CB 3.61Å; K56-Y99 HydrophobicContact CB-CD1 4.08Å; K56-Y99 HydrophobicContact CB-CE1 3.68Å; K56-Y99 HydrophobicContact CD-CE1 3.98Å; K56-Y99 WeakPolarHBondContact CE-OH 3.45Å; K56-Y99 HydrophobicContact CG-CD1 4.41Å; K56-Y99 HydrophobicContact CG-CE1 3.65Å |
| 57 | D | 94.9 | Very high | 89.4 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 31.7 | -168.5 | -62.3 | -40.3 | 0 | 0 | 0 | 113.3 | A97 V98 | D57-A97 WeakPolarHBondContact OD1-CA 3.07Å; D57-A97 WeakPolarHBondContact OD2-CB 3.49Å; D57-V98 PolarHBondContact N-O 3.27Å; D57-V98 PolarHBondContact OD1-N 3.37Å |
| 58 | G | 90.8 | Very high | 89.4 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 62% | 0.619 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -14 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K56 | K56-G58 PolarHBondContact O-N 2.94Å; K56-G58 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 93.9 | Very high | 89.3 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 56% | 0.56 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.6 | 172.6 | 178.6 | 62.1 | 0 | 0 | 0 | 110.4 | T55 K56 W70 | T55-L59 CarbonylContact C-O 3.55Å; T55-L59 WeakPolarHBondContact CA-O 3.34Å; T55-L59 WeakPolarHBondContact CB-O 3.32Å; K56-L59 PolarHBondContact N-O 3.32Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 2.92Å; L59-W70 HydrophobicContact CD2-CH2 4.19Å; L59-W70 HydrophobicContact CD2-CZ2 3.84Å |
| 60 | A | 92.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q53 | Q53-A60 HydrophobicContact CG-CB 4.36Å |
| 61 | L | 91.8 | Very high | 90 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -20.5 | 173.5 | -58.3 | -178 | 0 | 0 | 0 | 112.5 | W54 K56 L67 W70 Y73 L86 Y99 | W54-L61 HydrophobicContact CB-CD1 4.01Å; W54-L61 PolarHBondContact O-N 3.47Å; K56-L61 HydrophobicContact CB-CD1 4.34Å; K56-L61 HydrophobicContact CB-CD2 3.81Å; K56-L61 HydrophobicContact CB-CG 4.23Å; K56-L61 HydrophobicContact CD-CD2 4.36Å; L61-L67 HydrophobicContact CB-CD2 4.39Å; L61-W70 HydrophobicContact CD2-CD2 3.78Å; L61-W70 VanDerWaalsContact CD2-CE2 3.42Å; L61-W70 HydrophobicContact CD2-CE3 4.26Å; L61-W70 HydrophobicContact CD2-CG 4.27Å; L61-W70 HydrophobicContact CD2-CH2 4.13Å; L61-W70 HydrophobicContact CD2-CZ2 3.62Å; L61-W70 HydrophobicContact CD2-CZ3 4.43Å; L61-Y73 HydrophobicContact CD1-CD1 3.92Å; L61-Y73 HydrophobicContact CD1-CE1 4.02Å; L61-L86 HydrophobicContact CD1-CD1 4.36Å; L61-L86 HydrophobicContact CD1-CD2 3.81Å; L61-Y99 HydrophobicContact CD1-CE1 4.35Å |
| 62 | G | 86.1 | Confident | 90.5 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.3 | 180 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q53 W54 | Q53-G62 WeakPolarHBondContact CA-O 3.32Å; W54-G62 PolarHBondContact N-O 3.35Å |
| 63 | G | 82.4 | Confident | 90.7 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -131.9 | 13.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | V52 | V52-G63 VanDerWaalsContact O-CA 3.22Å; V52-G63 WeakPolarHBondContact O-CA 3.49Å |
| 64 | E | 85.8 | Confident | 90.7 | Very high | 133 Ų | 133 | 59 Ų | 59 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -85.7 | 155.9 | 171.9 | -68.8 | 173.8 | -137.2 | 0 | 0 | 110.1 | D66 L67 L75 | E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3Å; E64-L67 VanDerWaalsContact O-CD2 3.27Å; E64-L67 WeakPolarHBondContact O-CD2 3.41Å; E64-L67 WeakPolarHBondContact O-CG 3.38Å; E64-L67 PolarHBondContact O-N 3.39Å; E64-L75 WeakPolarHBondContact O-CD1 3.38Å |
| 65 | R | 86.8 | Confident | 90.6 | Very high | 118 Ų | 118 | 59.6 Ų | 59.6 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -41.1 | -173.7 | -170.5 | 176.1 | -73.9 | -83.2 | 11.6 | 112.7 | S74 L75 G77 | R65-S74 CarbonylContact O-C 3.56Å; R65-S74 VanDerWaalsContact O-CA 3.27Å; R65-S74 WeakPolarHBondContact O-CA 3.39Å; R65-L75 WeakPolarHBondContact CG-O 3.27Å; R65-L75 PolarHBondContact NH1-O 2.94Å; R65-L75 PolarHBondContact O-N 3.38Å; R65-G77 PolarHBondContact NH1-O 3.29Å; R65-G77 PolarHBondContact NH2-O 2.87Å |
| 66 | D | 86.3 | Confident | 90.4 | Very high | 122 Ų | 122 | 63.9 Ų | 63.9 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 13.7 | -170.9 | -45.7 | -44.8 | 0 | 0 | 0 | 112.8 | E64 | E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3Å |
| 67 | L | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | 34.9 | 67.6 | 171.7 | -63 | 172.7 | 0 | 0 | 0 | 114.3 | L61 E64 G69 W70 L75 L86 | L61-L67 HydrophobicContact CB-CD2 4.39Å; E64-L67 VanDerWaalsContact O-CD2 3.27Å; E64-L67 WeakPolarHBondContact O-CD2 3.41Å; E64-L67 WeakPolarHBondContact O-CG 3.38Å; E64-L67 PolarHBondContact O-N 3.39Å; L67-G69 PolarHBondContact O-N 2.62Å; L67-W70 HydrophobicContact CB-CB 4.36Å; L67-W70 WeakPolarHBondContact O-CB 3.44Å; L67-W70 PolarHBondContact O-N 3.36Å; L67-L75 HydrophobicContact CD1-CD2 4.03Å; L67-L75 HydrophobicContact CD1-CG 4.22Å; L67-L75 HydrophobicContact CD2-CD1 4.4Å; L67-L75 HydrophobicContact CD2-CG 4.31Å; L67-L75 HydrophobicContact CG-CG 4.3Å; L67-L86 HydrophobicContact CD1-CD1 3.46Å; L67-L86 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 68 | P | 86.5 | Confident | 89.7 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 128.2 | -169.4 | 20.9 | -33 | 0 | 0 | 0 | 112.9 | ||
| 69 | G | 85.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 76% | 0.763 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -18.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | L67 | L67-G69 PolarHBondContact O-N 2.62Š|
| 70 | W | 89.9 | Confident | 88.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -114.7 | 71.1 | 178.5 | -60.5 | 95.1 | 0 | 0 | 0 | 110.8 | K56 L59 L61 L67 R72 Y73 | K56-W70 HydrophobicContact CD-CH2 4.33Å; K56-W70 HydrophobicContact CD-CZ3 4.21Å; L59-W70 HydrophobicContact CD2-CH2 4.19Å; L59-W70 HydrophobicContact CD2-CZ2 3.84Å; L61-W70 HydrophobicContact CD2-CD2 3.78Å; L61-W70 VanDerWaalsContact CD2-CE2 3.42Å; L61-W70 HydrophobicContact CD2-CE3 4.26Å; L61-W70 HydrophobicContact CD2-CG 4.27Å; L61-W70 HydrophobicContact CD2-CH2 4.13Å; L61-W70 HydrophobicContact CD2-CZ2 3.62Å; L61-W70 HydrophobicContact CD2-CZ3 4.43Å; L67-W70 HydrophobicContact CB-CB 4.36Å; L67-W70 WeakPolarHBondContact O-CB 3.44Å; L67-W70 PolarHBondContact O-N 3.36Å; W70-R72 PolarHBondContact O-N 3.31Å; W70-Y73 HydrophobicContact CB-CD2 3.85Å; W70-Y73 HydrophobicContact CB-CG 4.01Å; W70-Y73 HydrophobicContact CE3-CD2 4.14Å; W70-Y73 AromaticContact CE3-CE2 3.94Å; W70-Y73 HydrophobicContact CE3-CE2 3.94Å; W70-Y73 WeakPolarHBondContact O-CB 3.36Å; W70-Y73 PolarHBondContact O-N 2.99Å | ||
| 71 | T | 90.8 | Very high | 88.5 | Confident | 144 Ų | 144 | 63.1 Ų | 63.1 | 88% | 0.883 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.1 | -168.9 | 52.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 72 | R | 94.6 | Very high | 88.3 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -2.9 | 174.1 | -67.4 | -167 | -63.7 | 87.3 | 5.2 | 114.2 | W70 D89 S90 E92 D95 | W70-R72 PolarHBondContact O-N 3.31Å; R72-D89 WeakPolarHBondContact CB-O 3.49Å; R72-D89 WeakPolarHBondContact CD-O 3.4Å; R72-D89 PolarHBondContact NH1-O 3.19Å; R72-D89 PolarHBondContact O-N 2.79Å; R72-S90 PolarHBondContact NH1-O 3.23Å; R72-E92 IonicContact CZ-OE1 2.95Å; R72-E92 IonicContact CZ-OE2 2.74Å; R72-E92 IonicContact NE-OE1 3.18Å; R72-E92 PolarHBondContact NE-OE1 2.86Å; R72-E92 IonicContact NE-OE2 2.66Å; R72-E92 PolarHBondContact NE-OE2 3.47Å; R72-E92 IonicContact NH2-OE1 2.69Å; R72-E92 IonicContact NH2-OE2 2.69Å; R72-E92 PolarHBondContact NH2-OE2 2.76Å; R72-D95 IonicContact CZ-OD2 2.9Å; R72-D95 IonicContact NH1-OD2 3.19Å; R72-D95 PolarHBondContact NH1-OD2 2.85Å; R72-D95 VanDerWaalsContact NH2-CG 3.3Å; R72-D95 IonicContact NH2-OD1 3.66Å; R72-D95 PolarHBondContact NH2-OD1 3.34Å; R72-D95 IonicContact NH2-OD2 2.73Å; R72-D95 PolarHBondContact NH2-OD2 2.88Å |
| 73 | Y | 95.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139 | -173.8 | -73.4 | -108 | 0 | 0 | 0 | 110.7 | K56 L61 W70 L86 L87 I88 D95 Y99 | K56-Y73 WeakPolarHBondContact CE-OH 3.48Å; K56-Y73 PolarHBondContact NZ-OH 3.45Å; L61-Y73 HydrophobicContact CD1-CD1 3.92Å; L61-Y73 HydrophobicContact CD1-CE1 4.02Å; W70-Y73 HydrophobicContact CB-CD2 3.85Å; W70-Y73 HydrophobicContact CB-CG 4.01Å; W70-Y73 HydrophobicContact CE3-CD2 4.14Å; W70-Y73 AromaticContact CE3-CE2 3.94Å; W70-Y73 HydrophobicContact CE3-CE2 3.94Å; W70-Y73 WeakPolarHBondContact O-CB 3.36Å; W70-Y73 PolarHBondContact O-N 2.99Å; Y73-L86 HydrophobicContact CD1-CD1 4.09Å; Y73-L86 HydrophobicContact CD1-CD2 4.05Å; Y73-L86 HydrophobicContact CD1-CG 4.23Å; Y73-L86 HydrophobicContact CE1-CD2 4.2Å; Y73-L87 WeakPolarHBondContact CA-O 3.46Å; Y73-I88 HydrophobicContact CD1-CD1 4.15Å; Y73-I88 HydrophobicContact CD1-CG1 3.72Å; Y73-I88 HydrophobicContact CD2-CG2 4.49Å; Y73-I88 HydrophobicContact CE1-CB 4.44Å; Y73-I88 HydrophobicContact CE1-CD1 3.41Å; Y73-I88 VanDerWaalsContact CE1-CD1 3.41Å; Y73-I88 HydrophobicContact CE1-CG1 3.51Å; Y73-I88 HydrophobicContact CE1-CG2 4.23Å; Y73-I88 HydrophobicContact CE2-CG2 4.14Å; Y73-I88 HydrophobicContact CG-CG1 4.49Å; Y73-D95 VanDerWaalsContact OH-CG 3.23Å; Y73-D95 PolarHBondContact OH-OD1 3.26Å; Y73-Y99 AromaticContact CE1-CE1 3.95Å; Y73-Y99 HydrophobicContact CE1-CE1 3.95Å; Y73-Y99 PolarHBondContact OH-OH 2.99Å |
| 74 | S | 94.4 | Very high | 89.1 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.1 | 173.4 | 56 | 0 | 0 | 0 | 0 | 112.4 | R65 L87 | R65-S74 CarbonylContact O-C 3.56Å; R65-S74 VanDerWaalsContact O-CA 3.27Å; R65-S74 WeakPolarHBondContact O-CA 3.39Å; S74-L87 PolarHBondContact N-O 2.95Å; S74-L87 PolarHBondContact O-N 2.85Å |
| 75 | L | 92.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.2 | 174.4 | -56 | -178.1 | 0 | 0 | 0 | 110.3 | W54 E64 R65 L67 S85 L86 | W54-L75 VanDerWaalsContact CD1-CD2 3.48Å; E64-L75 WeakPolarHBondContact O-CD1 3.38Å; R65-L75 WeakPolarHBondContact CG-O 3.27Å; R65-L75 PolarHBondContact NH1-O 2.94Å; R65-L75 PolarHBondContact O-N 3.38Å; L67-L75 HydrophobicContact CD1-CD2 4.03Å; L67-L75 HydrophobicContact CD1-CG 4.22Å; L67-L75 HydrophobicContact CD2-CD1 4.4Å; L67-L75 HydrophobicContact CD2-CG 4.31Å; L67-L75 HydrophobicContact CG-CG 4.3Å; L75-S85 CarbonylContact C-O 3.56Å; L75-S85 WeakPolarHBondContact CA-O 3.49Å; L75-L86 HydrophobicContact CD2-CD1 3.74Å |
| 76 | M | 90.9 | Very high | 90 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 47% | 0.473 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147.5 | -177.9 | -68.6 | -66 | -84 | 0 | 0 | 111.6 | S85 L87 | M76-S85 PolarHBondContact N-O 2.82Å; M76-S85 PolarHBondContact O-N 3.2Å; M76-L87 HydrophobicContact CE-CD2 4.32Å; M76-L87 HydrophobicContact CG-CB 3.56Å; M76-L87 HydrophobicContact CG-CD2 3.86Å; M76-L87 HydrophobicContact CG-CG 4.36Å; M76-L87 HydrophobicContact SD-CD2 4.14Å |
| 77 | G | 87.3 | Confident | 90.4 | Very high | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 103.3 | -179.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | R65 E83 | R65-G77 PolarHBondContact NH1-O 3.29Å; R65-G77 PolarHBondContact NH2-O 2.87Å; G77-E83 VanDerWaalsContact CA-OE2 3.29Å; G77-E83 WeakPolarHBondContact CA-OE2 3.5Å |
| 78 | D | 88.1 | Confident | 90.8 | Very high | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | trans | -98.8 | 115.8 | 176.1 | 177.2 | 22.5 | 0 | 0 | 0 | 113.1 | L80 S81 G82 E83 | D78-L80 PolarHBondContact O-N 2.83Å; D78-L80 VanDerWaalsContact O-N 3.13Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.05Å; D78-L80 WeakPolarHBondContact OD2-CB 3.47Å; D78-S81 PolarHBondContact O-N 2.88Å; D78-S81 PolarHBondContact O-OG 3.16Å; D78-S81 PolarHBondContact OD2-N 2.98Å; D78-G82 PolarHBondContact O-N 2.76Å; D78-G82 VanDerWaalsContact O-N 3.09Å; D78-E83 CarbonylContact C-O 3.6Å; D78-E83 PolarHBondContact N-OE2 3.49Å; D78-E83 PolarHBondContact O-N 3.5Å | ||
| 79 | P | 84.4 | Confident | 91.2 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.8 | 171.6 | -27.8 | 37.2 | 0 | 0 | 0 | 115.5 | ||
| 80 | L | 83.6 | Confident | 91.7 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -26.9 | 178.8 | -57.8 | 174.8 | 0 | 0 | 0 | 113.2 | R49 D78 | R49-L80 PolarHBondContact NE-O 3.41Å; D78-L80 PolarHBondContact O-N 2.83Å; D78-L80 VanDerWaalsContact O-N 3.13Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.05Å; D78-L80 WeakPolarHBondContact OD2-CB 3.47Å |
| 81 | S | 85.2 | Confident | 92 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -18.8 | 166.6 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | D78 E83 | D78-S81 PolarHBondContact O-N 2.88Å; D78-S81 PolarHBondContact O-OG 3.16Å; D78-S81 PolarHBondContact OD2-N 2.98Å; S81-E83 WeakPolarHBondContact OG-CG 3.12Å; S81-E83 PolarHBondContact OG-OE1 3.21Å |
| 82 | G | 87.2 | Confident | 92.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 20.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V44 I45 D78 H84 | V44-G82 CarbonylContact C-O 3.46Å; V44-G82 WeakPolarHBondContact CA-O 3.42Å; I45-G82 PolarHBondContact N-O 3.08Å; D78-G82 PolarHBondContact O-N 2.76Å; D78-G82 VanDerWaalsContact O-N 3.09Å; G82-H84 VanDerWaalsContact C-CD2 3.47Å; G82-H84 PolarHBondContact O-CD2 2.96Å; G82-H84 VanDerWaalsContact O-CD2 3.23Å |
| 83 | E | 92 | Very high | 92.1 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -89.9 | 125.9 | 177.5 | -66.3 | 158 | -148.6 | 0 | 0 | 111.7 | V44 G77 D78 S81 | V44-E83 HydrophobicContact CG1-CG 3.94Å; V44-E83 HydrophobicContact CG2-CB 4.43Å; V44-E83 HydrophobicContact CG2-CG 3.94Å; G77-E83 VanDerWaalsContact CA-OE2 3.29Å; G77-E83 WeakPolarHBondContact CA-OE2 3.5Å; D78-E83 CarbonylContact C-O 3.6Å; D78-E83 PolarHBondContact N-OE2 3.49Å; D78-E83 PolarHBondContact O-N 3.5Å; S81-E83 WeakPolarHBondContact OG-CG 3.12Å; S81-E83 PolarHBondContact OG-OE1 3.21Å |
| 84 | H | 93.1 | Very high | 92 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | trans | -142.6 | 45.1 | -175.9 | -56 | -87 | 0 | 0 | 0 | 110.8 | C43 V52 W54 G82 | C43-H84 CarbonylContact O-C 3.6Å; C43-H84 PolarHBondContact O-N 2.81Å; V52-H84 HydrophobicContact CB-CB 3.88Å; V52-H84 HydrophobicContact CG1-CB 3.88Å; V52-H84 HydrophobicContact CG2-CB 4.25Å; V52-H84 WeakPolarHBondContact CG2-CD2 3.33Å; V52-H84 WeakPolarHBondContact CG2-NE2 3.41Å; W54-H84 PolarHBondContact NE1-O 3.07Å; G82-H84 VanDerWaalsContact C-CD2 3.47Å; G82-H84 PolarHBondContact O-CD2 2.96Å; G82-H84 VanDerWaalsContact O-CD2 3.23Å | ||
| 85 | S | 95.1 | Very high | 92 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.2 | -174.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | L41 P42 C43 L75 M76 | L41-S85 CarbonylContact O-C 3.52Å; L41-S85 WeakPolarHBondContact O-CA 3.3Å; L41-S85 WeakPolarHBondContact O-CB 3.46Å; P42-S85 WeakPolarHBondContact CA-OG 3.45Å; C43-S85 PolarHBondContact N-OG 2.6Å; C43-S85 VanDerWaalsContact N-OG 3.16Å; L75-S85 CarbonylContact C-O 3.56Å; L75-S85 WeakPolarHBondContact CA-O 3.49Å; M76-S85 PolarHBondContact N-O 2.82Å; M76-S85 PolarHBondContact O-N 3.2Å |
| 86 | L | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.9 | -179 | -173.4 | 68.1 | 0 | 0 | 0 | 110.5 | T40 L41 W54 L61 L67 Y73 L75 I88 Y99 | T40-L86 CarbonylContact C-O 3.58Å; T40-L86 WeakPolarHBondContact CA-O 3.2Å; L41-L86 HydrophobicContact CB-CB 4.36Å; L41-L86 PolarHBondContact N-O 3.05Å; L41-L86 PolarHBondContact O-N 3.04Å; W54-L86 HydrophobicContact CB-CD1 4.45Å; W54-L86 HydrophobicContact CB-CD2 4.18Å; W54-L86 HydrophobicContact CD2-CB 3.79Å; W54-L86 HydrophobicContact CD2-CD2 4.03Å; W54-L86 HydrophobicContact CD2-CG 4.44Å; W54-L86 HydrophobicContact CE3-CB 4.34Å; W54-L86 HydrophobicContact CE3-CD2 4.14Å; W54-L86 HydrophobicContact CG-CB 4.07Å; W54-L86 HydrophobicContact CG-CD1 4.27Å; W54-L86 HydrophobicContact CG-CD2 4.08Å; W54-L86 HydrophobicContact CG-CG 4.39Å; W54-L86 HydrophobicContact CH2-CB 4.38Å; W54-L86 HydrophobicContact CZ2-CB 3.85Å; L61-L86 HydrophobicContact CD1-CD1 4.36Å; L61-L86 HydrophobicContact CD1-CD2 3.81Å; L67-L86 HydrophobicContact CD1-CD1 3.46Å; L67-L86 VanDerWaalsContact CD1-CD1 3.46Å; Y73-L86 HydrophobicContact CD1-CD1 4.09Å; Y73-L86 HydrophobicContact CD1-CD2 4.05Å; Y73-L86 HydrophobicContact CD1-CG 4.23Å; Y73-L86 HydrophobicContact CE1-CD2 4.2Å; L75-L86 HydrophobicContact CD2-CD1 3.74Å; L86-I88 HydrophobicContact CD2-CD1 4.48Å; L86-I88 HydrophobicContact CD2-CG1 4.42Å; L86-I88 HydrophobicContact CG-CG1 4.34Å; L86-Y99 HydrophobicContact CD2-CD1 3.85Å; L86-Y99 HydrophobicContact CD2-CE1 4.05Å |
| 87 | L | 96 | Very high | 92.4 | Very high | 33 Ų | 33 | 37 Ų | 37 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.7 | 166.6 | 172.4 | 62.3 | 0 | 0 | 0 | 109.2 | Y73 S74 M76 | Y73-L87 WeakPolarHBondContact CA-O 3.46Å; S74-L87 PolarHBondContact N-O 2.95Å; S74-L87 PolarHBondContact O-N 2.85Å; M76-L87 HydrophobicContact CE-CD2 4.32Å; M76-L87 HydrophobicContact CG-CB 3.56Å; M76-L87 HydrophobicContact CG-CD2 3.86Å; M76-L87 HydrophobicContact CG-CG 4.36Å; M76-L87 HydrophobicContact SD-CD2 4.14Å |
| 88 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.3 | 168.2 | -49.8 | 179.8 | 0 | 0 | 0 | 106.3 | S38 V39 Y73 L86 Y99 L115 | S38-I88 CarbonylContact C-O 3.48Å; S38-I88 VanDerWaalsContact CA-O 3.24Å; S38-I88 WeakPolarHBondContact CA-O 3.49Å; V39-I88 HydrophobicContact CG1-CB 3.92Å; V39-I88 HydrophobicContact CG1-CD1 4.4Å; V39-I88 HydrophobicContact CG1-CG1 4.42Å; V39-I88 PolarHBondContact N-O 3.49Å; V39-I88 PolarHBondContact O-N 3.3Å; Y73-I88 HydrophobicContact CD1-CD1 4.15Å; Y73-I88 HydrophobicContact CD1-CG1 3.72Å; Y73-I88 HydrophobicContact CD2-CG2 4.49Å; Y73-I88 HydrophobicContact CE1-CB 4.44Å; Y73-I88 HydrophobicContact CE1-CD1 3.41Å; Y73-I88 VanDerWaalsContact CE1-CD1 3.41Å; Y73-I88 HydrophobicContact CE1-CG1 3.51Å; Y73-I88 HydrophobicContact CE1-CG2 4.23Å; Y73-I88 HydrophobicContact CE2-CG2 4.14Å; Y73-I88 HydrophobicContact CG-CG1 4.49Å; L86-I88 HydrophobicContact CD2-CD1 4.48Å; L86-I88 HydrophobicContact CD2-CG1 4.42Å; L86-I88 HydrophobicContact CG-CG1 4.34Å; I88-Y99 HydrophobicContact CD1-CE1 4.16Å; I88-Y99 HydrophobicContact CD1-CE2 4.49Å; I88-L115 HydrophobicContact CD1-CD2 3.75Å |
| 89 | D | 94.8 | Very high | 93.3 | Very high | 85 Ų | 85 | 34.6 Ų | 34.6 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -81 | 140.8 | 174.9 | -163.2 | 49.3 | 0 | 0 | 0 | 110.6 | S38 R72 | S38-D89 WeakPolarHBondContact CB-OD1 3.06Å; S38-D89 PolarHBondContact OG-OD1 2.84Å; R72-D89 WeakPolarHBondContact CB-O 3.49Å; R72-D89 WeakPolarHBondContact CD-O 3.4Å; R72-D89 PolarHBondContact NH1-O 3.19Å; R72-D89 PolarHBondContact O-N 2.79Å |
| 90 | S | 95.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 33 Ų | 33 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 42.3 | 72 | -179.4 | 173.5 | 0 | 0 | 0 | 0 | 113.7 | S38 R72 E92 | S38-S90 PolarHBondContact OG-N 2.95Å; R72-S90 PolarHBondContact NH1-O 3.23Å; S90-E92 PolarHBondContact O-N 3.11Å |
| 91 | A | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -56.4 | 135.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V33 Q35 G36 Q37 V39 V117 | V33-A91 HydrophobicContact CG1-CB 3.71Å; V33-A91 HydrophobicContact CG2-CB 4.11Å; Q35-A91 CarbonylContact C-O 3.56Å; Q35-A91 WeakPolarHBondContact CA-O 3.5Å; Q35-A91 WeakPolarHBondContact CG-O 3.42Å; G36-A91 PolarHBondContact N-O 3.08Å; Q37-A91 VanDerWaalsContact O-CB 3.27Å; Q37-A91 WeakPolarHBondContact O-CB 3.42Å; Q37-A91 PolarHBondContact O-N 2.89Å; V39-A91 HydrophobicContact CG1-CB 4.49Å; A91-V117 HydrophobicContact CB-CG1 4.49Å; A91-V117 HydrophobicContact CB-CG2 4.43Å | ||
| 92 | E | 95.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 25.9 Ų | 25.9 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | trans | -111.4 | 163.4 | 179.7 | -71.9 | 169 | -174.9 | 0 | 0 | 112.2 | R72 S90 A94 D95 V117 | R72-E92 IonicContact CZ-OE1 2.95Å; R72-E92 IonicContact CZ-OE2 2.74Å; R72-E92 IonicContact NE-OE1 3.18Å; R72-E92 PolarHBondContact NE-OE1 2.86Å; R72-E92 IonicContact NE-OE2 2.66Å; R72-E92 PolarHBondContact NE-OE2 3.47Å; R72-E92 IonicContact NH2-OE1 2.69Å; R72-E92 IonicContact NH2-OE2 2.69Å; R72-E92 PolarHBondContact NH2-OE2 2.76Å; S90-E92 PolarHBondContact O-N 3.11Å; E92-A94 PolarHBondContact O-N 3.29Å; E92-D95 PolarHBondContact N-OD2 3.26Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.14Å; E92-V117 WeakPolarHBondContact O-CG2 3.29Å | ||
| 93 | L | 93.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 25.9 Ų | 25.9 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16 | 173.9 | -172.2 | 58.9 | 0 | 0 | 0 | 113.8 | D95 V119 K150 K178 R179 | L93-D95 VanDerWaalsContact C-N 3.32Å; L93-V119 HydrophobicContact CD1-CG2 3.96Å; L93-K150 HydrophobicContact CD1-CD 3.87Å; L93-K178 HydrophobicContact CD1-CB 4.04Å; L93-K178 HydrophobicContact CD1-CD 4.1Å; L93-K178 HydrophobicContact CD2-CB 4.06Å; L93-K178 HydrophobicContact CD2-CD 4.44Å; L93-K178 HydrophobicContact CG-CB 4.19Å; L93-K178 HydrophobicContact CG-CD 3.88Å; L93-K178 PolarHBondContact O-NZ 3.11Å; L93-R179 HydrophobicContact CD2-CG 3.75Å |
| 94 | A | 92.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 26.1 Ų | 26.1 | 46% | 0.463 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K56 E92 | K56-A94 WeakPolarHBondContact CE-O 3.4Å; K56-A94 PolarHBondContact NZ-O 3.3Å; E92-A94 PolarHBondContact O-N 3.29Å |
| 95 | D | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -96.2 | -8.1 | -175 | -53.2 | -23.2 | 0 | 0 | 0 | 113.2 | K56 R72 Y73 E92 L93 A97 Y99 L115 V117 | K56-D95 IonicContact NZ-OD1 2.75Å; K56-D95 PolarHBondContact NZ-OD1 3.15Å; R72-D95 IonicContact CZ-OD2 2.9Å; R72-D95 IonicContact NH1-OD2 3.19Å; R72-D95 PolarHBondContact NH1-OD2 2.85Å; R72-D95 VanDerWaalsContact NH2-CG 3.3Å; R72-D95 IonicContact NH2-OD1 3.66Å; R72-D95 PolarHBondContact NH2-OD1 3.34Å; R72-D95 IonicContact NH2-OD2 2.73Å; R72-D95 PolarHBondContact NH2-OD2 2.88Å; Y73-D95 VanDerWaalsContact OH-CG 3.23Å; Y73-D95 PolarHBondContact OH-OD1 3.26Å; E92-D95 PolarHBondContact N-OD2 3.26Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.14Å; L93-D95 VanDerWaalsContact C-N 3.32Å; D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 WeakPolarHBondContact O-CB 3.37Å; D95-A97 PolarHBondContact O-N 2.75Å; D95-Y99 WeakPolarHBondContact O-CE2 3.04Å; D95-Y99 PolarHBondContact O-OH 3.15Å; D95-L115 HydrophobicContact CB-CD2 4.37Å; D95-V117 HydrophobicContact CB-CG2 4.3Å | ||
| 96 | D | 95.2 | Very high | 94 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | trans | -64.5 | 81.1 | 171.3 | -167.9 | -80.5 | 0 | 0 | 0 | 110.6 | K114 L115 T116 V117 K150 | D96-K114 PolarHBondContact O-NZ 3.22Å; D96-K114 WeakPolarHBondContact OD1-CE 3.45Å; D96-K114 IonicContact OD1-NZ 2.91Å; D96-K114 PolarHBondContact OD1-NZ 3.35Å; D96-L115 CarbonylContact C-O 3.25Å; D96-L115 WeakPolarHBondContact CA-O 3.38Å; D96-T116 WeakPolarHBondContact OD2-CA 3.43Å; D96-V117 HydrophobicContact CB-CB 4.19Å; D96-V117 HydrophobicContact CB-CG2 4.08Å; D96-V117 PolarHBondContact OD2-N 2.92Å; D96-K150 IonicContact OD1-NZ 3.98Å; D96-K150 PolarHBondContact OD1-NZ 3.22Å; D96-K150 IonicContact OD2-NZ 2.73Å; D96-K150 PolarHBondContact OD2-NZ 2.87Å | ||
| 97 | A | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -147 | 167.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K56 D57 D95 Y99 L115 | K56-A97 HydrophobicContact CD-CB 4.4Å; K56-A97 HydrophobicContact CG-CB 3.61Å; D57-A97 WeakPolarHBondContact OD1-CA 3.07Å; D57-A97 WeakPolarHBondContact OD2-CB 3.49Å; D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 WeakPolarHBondContact O-CB 3.37Å; D95-A97 PolarHBondContact O-N 2.75Å; A97-Y99 HydrophobicContact CB-CD2 4.46Å; A97-Y99 HydrophobicContact CB-CE2 3.75Å; A97-Y99 WeakPolarHBondContact O-CD2 3.38Å; A97-Y99 WeakPolarHBondContact O-CE2 3.27Å; A97-L115 PolarHBondContact N-O 2.83Å; A97-L115 PolarHBondContact O-N 2.88Å |
| 98 | V | 97.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 30% | 0.297 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.6 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | D57 R112 A113 K114 | D57-V98 PolarHBondContact N-O 3.27Å; D57-V98 PolarHBondContact OD1-N 3.37Å; V98-R112 HydrophobicContact CG1-CB 3.72Å; V98-R112 HydrophobicContact CG1-CG 4.38Å; V98-A113 CarbonylContact C-O 3.56Å; V98-A113 WeakPolarHBondContact CA-O 3.43Å; V98-K114 HydrophobicContact CG2-CD 4.04Å |
| 99 | Y | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.8 | -177.6 | -64.5 | -94.1 | 0 | 0 | 0 | 112.1 | L41 T55 K56 L61 Y73 L86 I88 D95 A97 R112 A113 L115 | L41-Y99 HydrophobicContact CD1-CD1 4.1Å; L41-Y99 HydrophobicContact CD1-CD2 3.67Å; L41-Y99 HydrophobicContact CD1-CE2 4.36Å; L41-Y99 HydrophobicContact CD1-CG 3.52Å; T55-Y99 VanDerWaalsContact O-CA 3.25Å; T55-Y99 WeakPolarHBondContact O-CA 3.37Å; T55-Y99 WeakPolarHBondContact O-CD1 3.47Å; K56-Y99 HydrophobicContact CB-CD1 4.08Å; K56-Y99 HydrophobicContact CB-CE1 3.68Å; K56-Y99 HydrophobicContact CD-CE1 3.98Å; K56-Y99 WeakPolarHBondContact CE-OH 3.45Å; K56-Y99 HydrophobicContact CG-CD1 4.41Å; K56-Y99 HydrophobicContact CG-CE1 3.65Å; L61-Y99 HydrophobicContact CD1-CE1 4.35Å; Y73-Y99 AromaticContact CE1-CE1 3.95Å; Y73-Y99 HydrophobicContact CE1-CE1 3.95Å; Y73-Y99 PolarHBondContact OH-OH 2.99Å; L86-Y99 HydrophobicContact CD2-CD1 3.85Å; L86-Y99 HydrophobicContact CD2-CE1 4.05Å; I88-Y99 HydrophobicContact CD1-CE1 4.16Å; I88-Y99 HydrophobicContact CD1-CE2 4.49Å; D95-Y99 WeakPolarHBondContact O-CE2 3.04Å; D95-Y99 PolarHBondContact O-OH 3.15Å; A97-Y99 HydrophobicContact CB-CD2 4.46Å; A97-Y99 HydrophobicContact CB-CE2 3.75Å; A97-Y99 WeakPolarHBondContact O-CD2 3.38Å; A97-Y99 WeakPolarHBondContact O-CE2 3.27Å; Y99-R112 WeakPolarHBondContact O-CA 3.39Å; Y99-A113 PolarHBondContact N-O 3.3Å; Y99-A113 PolarHBondContact O-N 3.18Å; Y99-L115 HydrophobicContact CD2-CB 3.96Å; Y99-L115 HydrophobicContact CE2-CB 3.64Å; Y99-L115 HydrophobicContact CE2-CD2 4Å; Y99-L115 HydrophobicContact CE2-CG 4.48Å |
| 100 | E | 96.5 | Very high | 93.3 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.1 | 177 | -164.1 | -171 | -91.1 | 0 | 0 | 110.1 | T55 Q102 R109 R112 | T55-E100 PolarHBondContact N-O 3.11Å; T55-E100 PolarHBondContact O-N 2.9Å; T55-E100 WeakPolarHBondContact OG1-CB 3.4Å; T55-E100 PolarHBondContact OG1-O 3.29Å; T55-E100 VanDerWaalsContact OG1-O 3.13Å; E100-Q102 HydrophobicContact CG-CG 4.44Å; E100-Q102 PolarHBondContact OE2-NE2 2.9Å; E100-R109 IonicContact OE1-NH2 3.18Å; E100-R109 IonicContact OE2-CZ 3.94Å; E100-R109 IonicContact OE2-NE 3.78Å; E100-R109 PolarHBondContact OE2-NE 2.96Å; E100-R109 IonicContact OE2-NH2 3.98Å; E100-R109 PolarHBondContact OE2-NH2 2.71Å; E100-R112 HydrophobicContact CB-CG 4.16Å; E100-R112 HydrophobicContact CG-CG 3.98Å; E100-R112 WeakPolarHBondContact OE1-CD 3.3Å; E100-R112 WeakPolarHBondContact OE1-CG 3.44Å |
| 101 | C | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.6 | 177.7 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | C43 V52 W54 R109 S110 | C43-C101 HydrophobicContact CB-CB 3.77Å; C43-C101 WeakPolarHBondContact CB-SG 3.35Å; C43-C101 WeakPolarHBondContact SG-CB 3.41Å; C43-C101 CovalentContact SG-SG 2.04Å; C43-C101 PolarHBondContact SG-SG 3Å; V52-C101 WeakPolarHBondContact CG1-SG 3.44Å; W54-C101 HydrophobicContact CD2-CB 4.04Å; W54-C101 HydrophobicContact CE3-CB 4.1Å; W54-C101 HydrophobicContact CH2-CB 3.96Å; W54-C101 HydrophobicContact CZ2-CB 3.87Å; W54-C101 HydrophobicContact CZ3-CB 4.05Å; C101-R109 CarbonylContact O-C 3.55Å; C101-R109 WeakPolarHBondContact O-CA 3.2Å; C101-S110 PolarHBondContact N-OG 2.64Å; C101-S110 PolarHBondContact O-N 2.8Å |
| 102 | Q | 94.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.1 | -168.8 | -63.4 | 171.1 | 5 | 0 | 0 | 111.9 | Q53 T55 E100 R109 | Q53-Q102 PolarHBondContact N-O 2.98Å; Q53-Q102 PolarHBondContact O-N 2.62Å; T55-Q102 PolarHBondContact OG1-NE2 2.89Å; E100-Q102 HydrophobicContact CG-CG 4.44Å; E100-Q102 PolarHBondContact OE2-NE2 2.9Å; Q102-R109 HydrophobicContact CG-CG 4.34Å |
| 103 | A | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 83.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I45 Y48 V52 Q105 A106 A107 L108 | I45-A103 HydrophobicContact CD1-CB 3.71Å; Y48-A103 HydrophobicContact CD1-CB 4.01Å; Y48-A103 HydrophobicContact CE1-CB 3.57Å; Y48-A103 HydrophobicContact CE2-CB 4.22Å; Y48-A103 HydrophobicContact CG-CB 4.47Å; V52-A103 HydrophobicContact CG2-CB 4.22Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 3.42Å; A103-A106 HydrophobicContact CB-CB 4.37Å; A103-A106 CarbonylContact O-C 3.52Å; A103-A106 PolarHBondContact O-N 2.86Å; A103-A107 PolarHBondContact O-N 3.33Å; A103-A107 VanDerWaalsContact O-N 3.15Å; A103-L108 HydrophobicContact CB-CB 4.24Å; A103-L108 PolarHBondContact N-O 3.11Å; A103-L108 PolarHBondContact O-N 2.85Å |
| 104 | T | 84.5 | Confident | 93.5 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -57.3 | -40.5 | -169.4 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | A106 A107 | T104-A106 PolarHBondContact O-N 2.7Å; T104-A107 PolarHBondContact O-N 3.17Å; T104-A107 VanDerWaalsContact O-N 3.12Å |
| 105 | Q | 86.3 | Confident | 93.7 | Very high | 140 Ų | 140 | 49.6 Ų | 49.6 | 65% | 0.654 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -68.2 | -21.3 | 179.4 | -60.5 | 177.1 | -14.7 | 0 | 0 | 113.4 | Y48 A103 | Y48-Q105 HydrophobicContact CE2-CB 4.36Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 3.42Å |
| 106 | A | 85.6 | Confident | 93.8 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -101.1 | 2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y48 A103 T104 L108 | Y48-A106 HydrophobicContact CD2-CB 3.75Å; Y48-A106 HydrophobicContact CE2-CB 3.65Å; A103-A106 HydrophobicContact CB-CB 4.37Å; A103-A106 CarbonylContact O-C 3.52Å; A103-A106 PolarHBondContact O-N 2.86Å; T104-A106 PolarHBondContact O-N 2.7Å; A106-L108 HydrophobicContact CB-CD1 4.01Å; A106-L108 HydrophobicContact CB-CG 4.01Å; A106-L108 PolarHBondContact O-N 2.88Å; A106-L108 VanDerWaalsContact O-N 3.14Å |
| 107 | A | 87.9 | Confident | 93.9 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 74% | 0.736 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 21.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | A103 T104 | A103-A107 PolarHBondContact O-N 3.33Å; A103-A107 VanDerWaalsContact O-N 3.15Å; T104-A107 PolarHBondContact O-N 3.17Å; T104-A107 VanDerWaalsContact O-N 3.12Å |
| 108 | L | 92.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.7 | 179.8 | -64.4 | 172.9 | 0 | 0 | 0 | 111.4 | A22 F24 I45 A103 A106 | A22-L108 HydrophobicContact CB-CD1 3.71Å; A22-L108 WeakPolarHBondContact O-CD1 3.4Å; F24-L108 HydrophobicContact CE2-CB 3.88Å; F24-L108 HydrophobicContact CZ-CB 4.03Å; I45-L108 HydrophobicContact CG2-CD1 3.85Å; A103-L108 HydrophobicContact CB-CB 4.24Å; A103-L108 PolarHBondContact N-O 3.11Å; A103-L108 PolarHBondContact O-N 2.85Å; A106-L108 HydrophobicContact CB-CD1 4.01Å; A106-L108 HydrophobicContact CB-CG 4.01Å; A106-L108 PolarHBondContact O-N 2.88Å; A106-L108 VanDerWaalsContact O-N 3.14Å |
| 109 | R | 94.4 | Very high | 93.9 | Very high | 161 Ų | 161 | 49.7 Ų | 49.7 | 61% | 0.608 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.2 | 175.2 | -51.5 | 177.9 | 74 | 137.4 | -0.2 | 108 | F24 E100 C101 Q102 | F24-R109 VanDerWaalsContact CE2-C 3.47Å; F24-R109 WeakPolarHBondContact CE2-O 3.43Å; F24-R109 VanDerWaalsContact CZ-C 3.46Å; E100-R109 IonicContact OE1-NH2 3.18Å; E100-R109 IonicContact OE2-CZ 3.94Å; E100-R109 IonicContact OE2-NE 3.78Å; E100-R109 PolarHBondContact OE2-NE 2.96Å; E100-R109 IonicContact OE2-NH2 3.98Å; E100-R109 PolarHBondContact OE2-NH2 2.71Å; C101-R109 CarbonylContact O-C 3.55Å; C101-R109 WeakPolarHBondContact O-CA 3.2Å; Q102-R109 HydrophobicContact CG-CG 4.34Å |
| 110 | S | 95.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 173.1 | 177.5 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | F24 Q27 C101 | F24-S110 VanDerWaalsContact CZ-N 3.34Å; Q27-S110 VanDerWaalsContact OE1-CA 3.3Å; C101-S110 PolarHBondContact N-OG 2.64Å; C101-S110 PolarHBondContact O-N 2.8Å |
| 111 | H | 94.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 51 Ų | 51 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 146.4 | 154.4 | -67 | -64.1 | 0 | 0 | 0 | 110.3 | Q27 | Q27-H111 PolarHBondContact OE1-CD2 2.88Š|
| 112 | R | 95.9 | Very high | 93.7 | Very high | 183 Ų | 183 | 53.1 Ų | 53.1 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -82 | 124.3 | 171.7 | -66.9 | -169.8 | -59.9 | -144.5 | 1.4 | 108.6 | V98 Y99 E100 | V98-R112 HydrophobicContact CG1-CB 3.72Å; V98-R112 HydrophobicContact CG1-CG 4.38Å; Y99-R112 WeakPolarHBondContact O-CA 3.39Å; E100-R112 HydrophobicContact CB-CG 4.16Å; E100-R112 HydrophobicContact CG-CG 3.98Å; E100-R112 WeakPolarHBondContact OE1-CD 3.3Å; E100-R112 WeakPolarHBondContact OE1-CG 3.44Å |
| 113 | A | 97.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P28 D30 V98 Y99 | P28-A113 HydrophobicContact CB-CB 3.64Å; P28-A113 HydrophobicContact CG-CB 4.01Å; D30-A113 WeakPolarHBondContact OD1-CA 3.29Å; V98-A113 CarbonylContact C-O 3.56Å; V98-A113 WeakPolarHBondContact CA-O 3.43Å; Y99-A113 PolarHBondContact N-O 3.3Å; Y99-A113 PolarHBondContact O-N 3.18Å |
| 114 | K | 97.3 | Very high | 94 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.7 | 175 | 177.4 | 58.7 | -175.5 | 168.3 | 0 | 110.1 | D30 Q31 D96 V98 | D30-K114 VanDerWaalsContact CA-O 3.3Å; D30-K114 WeakPolarHBondContact CA-O 3.49Å; D30-K114 PolarHBondContact OD1-N 3.3Å; Q31-K114 PolarHBondContact N-O 3.02Å; D96-K114 PolarHBondContact O-NZ 3.22Å; D96-K114 WeakPolarHBondContact OD1-CE 3.45Å; D96-K114 IonicContact OD1-NZ 2.91Å; D96-K114 PolarHBondContact OD1-NZ 3.35Å; V98-K114 HydrophobicContact CG2-CD 4.04Å |
| 115 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.2 | 161 | -173.2 | 60.6 | 0 | 0 | 0 | 108.8 | Q31 V33 V39 I88 D95 D96 A97 Y99 V117 | Q31-L115 HydrophobicContact CB-CD1 4.01Å; V33-L115 HydrophobicContact CB-CD1 4.45Å; V33-L115 HydrophobicContact CG1-CD1 3.82Å; V33-L115 HydrophobicContact CG1-CG 4.29Å; V39-L115 HydrophobicContact CG1-CD1 4.19Å; V39-L115 HydrophobicContact CG1-CD2 4Å; V39-L115 HydrophobicContact CG2-CD1 4.07Å; I88-L115 HydrophobicContact CD1-CD2 3.75Å; D95-L115 HydrophobicContact CB-CD2 4.37Å; D96-L115 CarbonylContact C-O 3.25Å; D96-L115 WeakPolarHBondContact CA-O 3.38Å; A97-L115 PolarHBondContact N-O 2.83Å; A97-L115 PolarHBondContact O-N 2.88Å; Y99-L115 HydrophobicContact CD2-CB 3.96Å; Y99-L115 HydrophobicContact CE2-CB 3.64Å; Y99-L115 HydrophobicContact CE2-CD2 4Å; Y99-L115 HydrophobicContact CE2-CG 4.48Å; L115-V117 HydrophobicContact CD2-CG2 4.44Å; L115-V117 HydrophobicContact CG-CG2 4.31Å |
| 116 | T | 96.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.3 | 172.5 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | Q31 V32 V33 D96 L118 | Q31-T116 PolarHBondContact O-N 2.83Å; V32-T116 WeakPolarHBondContact CA-O 3.34Å; V33-T116 PolarHBondContact N-O 3.44Å; D96-T116 WeakPolarHBondContact OD2-CA 3.43Å; T116-L118 HydrophobicContact CG2-CD2 4.41Å |
| 117 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 112.4 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | V33 Q35 A91 E92 D95 D96 L115 | V33-V117 HydrophobicContact CG1-CB 4.39Å; V33-V117 HydrophobicContact CG1-CG1 4.43Å; V33-V117 HydrophobicContact CG1-CG2 3.84Å; V33-V117 CarbonylContact O-C 3.54Å; V33-V117 WeakPolarHBondContact O-CA 3.27Å; Q35-V117 HydrophobicContact CB-CG1 4.17Å; A91-V117 HydrophobicContact CB-CG1 4.49Å; A91-V117 HydrophobicContact CB-CG2 4.43Å; E92-V117 WeakPolarHBondContact O-CG2 3.29Å; D95-V117 HydrophobicContact CB-CG2 4.3Å; D96-V117 HydrophobicContact CB-CB 4.19Å; D96-V117 HydrophobicContact CB-CG2 4.08Å; D96-V117 PolarHBondContact OD2-N 2.92Å; L115-V117 HydrophobicContact CD2-CG2 4.44Å; L115-V117 HydrophobicContact CG-CG2 4.31Å |
| 118 | L | 97.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 140.6 | 178.6 | -53.3 | 173.9 | 0 | 0 | 0 | 110.4 | V32 V33 V34 Q35 T116 K150 P206 A207 | V32-L118 HydrophobicContact CG1-CD1 3.42Å; V32-L118 VanDerWaalsContact CG1-CD1 3.42Å; V32-L118 HydrophobicContact CG1-CD2 3.8Å; V32-L118 HydrophobicContact CG1-CG 3.47Å; V32-L118 VanDerWaalsContact CG1-CG 3.47Å; V33-L118 PolarHBondContact O-N 3.41Å; V34-L118 HydrophobicContact CG2-CD1 4.36Å; Q35-L118 PolarHBondContact N-O 2.91Å; T116-L118 HydrophobicContact CG2-CD2 4.41Å; L118-K150 VanDerWaalsContact CA-O 3.28Å; L118-K150 WeakPolarHBondContact CA-O 3.25Å; L118-P206 HydrophobicContact CD1-CB 3.82Å; L118-A207 HydrophobicContact CB-CB 3.83Å |
| 119 | V | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 126.6 | 179 | -175 | 0 | 0 | 0 | 0 | 108.9 | L93 G148 A149 K150 | L93-V119 HydrophobicContact CD1-CG2 3.96Å; V119-G148 WeakPolarHBondContact CG1-O 3.28Å; V119-A149 CarbonylContact O-C 3.54Å; V119-A149 WeakPolarHBondContact O-CA 3.4Å; V119-K150 HydrophobicContact CB-CB 3.95Å; V119-K150 HydrophobicContact CG2-CB 4.01Å; V119-K150 PolarHBondContact N-O 2.81Å; V119-K150 PolarHBondContact O-N 2.98Å |
| 120 | P | 95.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 149.9 | 179.1 | 30 | -34.9 | 0 | 0 | 0 | 111.5 | A207 A208 | P120-A207 HydrophobicContact CB-CB 3.94Å; P120-A208 HydrophobicContact CB-CB 4.14Å |
| 121 | P | 95.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 158.4 | 174.4 | 28.3 | -35.6 | 0 | 0 | 0 | 111.9 | A146 A149 A153 V203 N205 R212 | P121-A146 HydrophobicContact CB-CB 4.25Å; P121-A149 HydrophobicContact CB-CB 4Å; P121-A153 HydrophobicContact CB-CB 3.98Å; P121-A153 HydrophobicContact CG-CB 4Å; P121-V203 HydrophobicContact CB-CG1 4.44Å; P121-V203 HydrophobicContact CG-CG1 4.14Å; P121-N205 HydrophobicContact CG-CB 4.09Å; P121-R212 PolarHBondContact O-NH2 3.38Å |
| 122 | S | 94.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 163.8 | 156.7 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | S147 | S122-S147 PolarHBondContact N-O 2.78Å; S122-S147 PolarHBondContact OG-N 2.89Å |
| 123 | D | 95.7 | Very high | 95.6 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -58 | 138.6 | 165.1 | -63.2 | -68.9 | 0 | 0 | 0 | 110.5 | R212 | D123-R212 WeakPolarHBondContact OD1-CD 3.36Å; D123-R212 IonicContact OD1-CZ 2.81Å; D123-R212 IonicContact OD1-NE 3.03Å; D123-R212 IonicContact OD1-NH1 2.74Å; D123-R212 PolarHBondContact OD1-NH1 2.87Å; D123-R212 IonicContact OD2-NH1 3.2Å; D123-R212 PolarHBondContact OD2-NH1 3.02Å |
| 124 | P | 96.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 137.4 | 180 | 26.6 | -31.8 | 0 | 0 | 0 | 110.7 | R145 V203 R212 T214 | P124-R145 WeakPolarHBondContact CA-O 3.31Å; P124-V203 HydrophobicContact CB-CG2 3.65Å; P124-V203 HydrophobicContact CG-CG2 4.14Å; P124-R212 HydrophobicContact CG-CB 4.25Å; P124-T214 HydrophobicContact CB-CG2 3.96Å; P124-T214 HydrophobicContact CG-CG2 4.05Å; P124-T214 WeakPolarHBondContact O-CB 3.46Å; P124-T214 VanDerWaalsContact O-CG2 3.23Å; P124-T214 WeakPolarHBondContact O-CG2 3.31Å |
| 125 | V | 96.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | C144 R145 | V125-C144 WeakPolarHBondContact O-CA 3.31Å; V125-R145 PolarHBondContact N-O 3.16Å; V125-R145 PolarHBondContact O-N 3.26Å |
| 126 | V | 97.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128 | 169.1 | 173 | 0 | 0 | 0 | 0 | 109.2 | G128 G129 T143 C144 W157 C201 T214 V216 | V126-G128 PolarHBondContact O-N 2.84Å; V126-G129 PolarHBondContact O-N 2.03Å; V126-T143 VanDerWaalsContact CA-O 3.32Å; V126-T143 WeakPolarHBondContact CA-O 3.25Å; V126-C144 HydrophobicContact CG2-CB 3.88Å; V126-W157 HydrophobicContact CB-CH2 4.45Å; V126-W157 HydrophobicContact CG1-CH2 3.9Å; V126-W157 HydrophobicContact CG2-CH2 3.63Å; V126-W157 HydrophobicContact CG2-CZ2 4.5Å; V126-W157 HydrophobicContact CG2-CZ3 4.06Å; V126-C201 HydrophobicContact CG2-CB 3.75Å; V126-T214 HydrophobicContact CB-CG2 4.44Å; V126-T214 HydrophobicContact CG2-CG2 3.71Å; V126-V216 HydrophobicContact CB-CG1 3.73Å; V126-V216 HydrophobicContact CG1-CB 4.41Å; V126-V216 HydrophobicContact CG1-CG1 3.67Å; V126-V216 HydrophobicContact CG1-CG2 3.82Å |
| 127 | E | 95.2 | Very high | 94.8 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 129.1 | -177.3 | -66.8 | 172.9 | -176.3 | 0 | 0 | 110.1 | T143 R145 | E127-T143 HydrophobicContact CG-CG2 4.39Å; E127-T143 PolarHBondContact N-O 2.99Å; E127-T143 WeakPolarHBondContact OE2-CB 3.37Å; E127-T143 WeakPolarHBondContact OE2-CG2 3.37Å; E127-T143 PolarHBondContact OE2-OG1 2.72Å; E127-R145 IonicContact OE1-CZ 3.15Å; E127-R145 IonicContact OE1-NE 2.83Å; E127-R145 PolarHBondContact OE1-NE 2.83Å; E127-R145 VanDerWaalsContact OE1-NE 3.16Å; E127-R145 IonicContact OE1-NH2 3.84Å; E127-R145 PolarHBondContact OE1-NH2 2.85Å |
| 128 | G | 90.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 1.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V126 V131 | V126-G128 PolarHBondContact O-N 2.84Å; G128-V131 CarbonylContact O-C 3.53Å |
| 129 | G | 91.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -65.3 | 162.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V126 | V126-G129 PolarHBondContact O-N 2.03Š| ||
| 130 | P | 92.4 | Very high | 94.6 | Very high | 102 Ų | 102 | 63 Ų | 63 | 66% | 0.662 | 36% | 0.359 | S | S | * | . | S | Bend | cis | -82.4 | -15.6 | 3.7 | 32.4 | -35.9 | 0 | 0 | 0 | 114.6 | V216 T217 | P130-V216 WeakPolarHBondContact O-CA 3.32Å; P130-T217 PolarHBondContact O-N 3.47Å |
| 131 | V | 95.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 105 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | G128 T217 | G128-V131 CarbonylContact O-C 3.53Å; V131-T217 CarbonylContact C-O 3.55Å; V131-T217 WeakPolarHBondContact CA-O 3.25Å |
| 132 | V | 95.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 118.2 | -179 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | L134 L142 V216 T217 I218 S219 | V132-L134 HydrophobicContact CG1-CD1 4.49Å; V132-L134 HydrophobicContact CG1-CD2 3.69Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; V132-L142 HydrophobicContact CB-CD2 4.46Å; V132-L142 HydrophobicContact CG1-CD2 4.17Å; V132-L142 HydrophobicContact CG2-CD2 4.15Å; V132-V216 HydrophobicContact CG2-CB 4.09Å; V132-V216 HydrophobicContact CG2-CG1 4.48Å; V132-V216 HydrophobicContact CG2-CG2 3.98Å; V132-T217 PolarHBondContact N-O 3.18Å; V132-I218 HydrophobicContact CB-CD1 3.97Å; V132-I218 HydrophobicContact CG2-CD1 4.34Å; V132-S219 PolarHBondContact O-N 3.08Å |
| 133 | R | 95.1 | Very high | 94.8 | Very high | 173 Ų | 173 | 63.3 Ų | 63.3 | 65% | 0.653 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.2 | 177.9 | -69.3 | 177.3 | 177.9 | 83.5 | -5.2 | 110 | S219 | R133-S219 WeakPolarHBondContact CA-O 3.42Å |
| 134 | L | 95.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 159.4 | -178.1 | -57.8 | -177.9 | 0 | 0 | 0 | 110.4 | V132 H140 I188 P190 I218 S219 Q221 | V132-L134 HydrophobicContact CG1-CD1 4.49Å; V132-L134 HydrophobicContact CG1-CD2 3.69Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; L134-H140 HydrophobicContact CD1-CB 4.14Å; L134-H140 HydrophobicContact CD2-CB 4.03Å; L134-H140 VanDerWaalsContact CD2-CD2 3.49Å; L134-H140 WeakPolarHBondContact CD2-CD2 3.11Å; L134-H140 VanDerWaalsContact CD2-CG 3.44Å; L134-I188 HydrophobicContact CD1-CD1 3.7Å; L134-P190 HydrophobicContact CB-CB 4.43Å; L134-P190 HydrophobicContact CB-CG 3.98Å; L134-P190 HydrophobicContact CD1-CB 4.19Å; L134-P190 HydrophobicContact CD1-CG 4.06Å; L134-I218 HydrophobicContact CD1-CD1 4.5Å; L134-I218 HydrophobicContact CD1-CG2 3.83Å; L134-I218 HydrophobicContact CG-CG2 4.19Å; L134-S219 PolarHBondContact N-O 2.94Å; L134-Q221 VanDerWaalsContact O-CB 3.32Å; L134-Q221 WeakPolarHBondContact O-CB 3.35Å; L134-Q221 PolarHBondContact O-N 2.97Å |
| 135 | K | 93.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.8 | 169.4 | -69.8 | -168.8 | 175.6 | -166.8 | 0 | 109.9 | T138 P190 | K135-T138 VanDerWaalsContact O-CB 3.31Å; K135-T138 WeakPolarHBondContact O-CB 3.29Å; K135-T138 PolarHBondContact O-N 2.86Å; K135-T138 PolarHBondContact O-OG1 2.87Å; K135-P190 WeakPolarHBondContact O-CG 3.32Å |
| 136 | A | 92.3 | Very high | 95 | Very high | 19 Ų | 19 | 59 Ų | 59 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 144.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T138 P190 D192 V220 Q221 | A136-T138 PolarHBondContact O-N 2.91Å; A136-T138 PolarHBondContact O-OG1 2.89Å; A136-P190 CarbonylContact C-O 3.47Å; A136-P190 WeakPolarHBondContact CA-O 3.48Å; A136-D192 VanDerWaalsContact CB-OD1 3.25Å; A136-D192 WeakPolarHBondContact CB-OD1 3.36Å; A136-V220 HydrophobicContact CB-CG1 3.77Å; A136-Q221 PolarHBondContact N-O 3.24Å |
| 137 | H | 91.5 | Very high | 94.9 | Very high | 131 Ų | 131 | 60.7 Ų | 60.7 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 11.1 | 177.8 | -47.8 | 89.4 | 0 | 0 | 0 | 115.3 | P190 | H137-P190 PolarHBondContact N-O 2.85Š|
| 138 | T | 94.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | trans | -103.1 | 112.1 | -178.2 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | K135 A136 H140 P190 | K135-T138 VanDerWaalsContact O-CB 3.31Å; K135-T138 WeakPolarHBondContact O-CB 3.29Å; K135-T138 PolarHBondContact O-N 2.86Å; K135-T138 PolarHBondContact O-OG1 2.87Å; A136-T138 PolarHBondContact O-N 2.91Å; A136-T138 PolarHBondContact O-OG1 2.89Å; T138-H140 PolarHBondContact O-N 2.86Å; T138-P190 WeakPolarHBondContact O-CD 3.19Å | ||
| 139 | P | 95.9 | Very high | 95.1 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | trans | -55.9 | 136.7 | -178 | -25.9 | 34.2 | 0 | 0 | 0 | 113.2 | I188 I189 | P139-I188 WeakPolarHBondContact CA-O 3.41Å; P139-I189 HydrophobicContact CB-CG1 4.3Å; P139-I189 HydrophobicContact CG-CD1 4.42Å; P139-I189 HydrophobicContact CG-CG1 4.19Å | ||
| 140 | H | 95.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.1 | -177.4 | -174.6 | 75.6 | 0 | 0 | 0 | 111.3 | L134 T138 I188 | L134-H140 HydrophobicContact CD1-CB 4.14Å; L134-H140 HydrophobicContact CD2-CB 4.03Å; L134-H140 VanDerWaalsContact CD2-CD2 3.49Å; L134-H140 WeakPolarHBondContact CD2-CD2 3.11Å; L134-H140 VanDerWaalsContact CD2-CG 3.44Å; T138-H140 PolarHBondContact O-N 2.86Å; H140-I188 HydrophobicContact CB-CG1 4.31Å; H140-I188 PolarHBondContact N-O 3.37Å; H140-I188 WeakPolarHBondContact O-CG1 3.12Å; H140-I188 PolarHBondContact O-N 2.96Å; H140-I188 VanDerWaalsContact O-O 3.14Å |
| 141 | N | 96.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 52.3 Ų | 52.3 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.7 | 176.6 | -66.9 | -8.6 | 0 | 0 | 0 | 109.3 | T143 L186 | N141-T143 PolarHBondContact O-N 3.42Å; N141-L186 WeakPolarHBondContact CA-O 3.45Å |
| 142 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.7 | 171 | -63.1 | 174.8 | 0 | 0 | 0 | 108.8 | V132 W157 M185 L186 I188 Y199 I218 | V132-L142 HydrophobicContact CB-CD2 4.46Å; V132-L142 HydrophobicContact CG1-CD2 4.17Å; V132-L142 HydrophobicContact CG2-CD2 4.15Å; L142-W157 HydrophobicContact CB-CH2 3.64Å; L142-W157 HydrophobicContact CB-CZ2 3.99Å; L142-W157 HydrophobicContact CB-CZ3 4.26Å; L142-W157 HydrophobicContact CD1-CZ3 4.38Å; L142-W157 WeakPolarHBondContact O-CZ2 3.2Å; L142-M185 CarbonylContact O-C 3.59Å; L142-M185 WeakPolarHBondContact O-CA 3.3Å; L142-L186 HydrophobicContact CB-CB 4.42Å; L142-L186 PolarHBondContact N-O 2.96Å; L142-L186 PolarHBondContact O-N 3.13Å; L142-I188 HydrophobicContact CD1-CD1 3.87Å; L142-I188 HydrophobicContact CD2-CD1 4.41Å; L142-I188 HydrophobicContact CG-CD1 3.91Å; L142-I188 HydrophobicContact CG-CG1 4.43Å; L142-Y199 HydrophobicContact CD1-CD1 3.81Å; L142-Y199 HydrophobicContact CD1-CD2 4.36Å; L142-Y199 HydrophobicContact CD1-CE1 4.34Å; L142-Y199 HydrophobicContact CD1-CG 3.8Å; L142-I218 HydrophobicContact CD1-CD1 4.1Å; L142-I218 HydrophobicContact CD2-CD1 4.02Å |
| 143 | T | 97.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.4 | 178 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | V126 E127 N141 V183 M185 | V126-T143 VanDerWaalsContact CA-O 3.32Å; V126-T143 WeakPolarHBondContact CA-O 3.25Å; E127-T143 HydrophobicContact CG-CG2 4.39Å; E127-T143 PolarHBondContact N-O 2.99Å; E127-T143 WeakPolarHBondContact OE2-CB 3.37Å; E127-T143 WeakPolarHBondContact OE2-CG2 3.37Å; E127-T143 PolarHBondContact OE2-OG1 2.72Å; N141-T143 PolarHBondContact O-N 3.42Å; T143-V183 HydrophobicContact CG2-CG1 3.59Å; T143-M185 HydrophobicContact CG2-CE 4.35Å; T143-M185 HydrophobicContact CG2-CG 4.29Å |
| 144 | C | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.4 | 166.2 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | V125 V126 I155 W157 V183 S184 C201 | V125-C144 WeakPolarHBondContact O-CA 3.31Å; V126-C144 HydrophobicContact CG2-CB 3.88Å; C144-I155 HydrophobicContact CB-CG2 4.37Å; C144-W157 HydrophobicContact CB-CH2 3.95Å; C144-W157 HydrophobicContact CB-CZ2 3.45Å; C144-W157 VanDerWaalsContact CB-CZ2 3.45Å; C144-V183 WeakPolarHBondContact O-CA 3.49Å; C144-S184 PolarHBondContact N-O 2.85Å; C144-S184 PolarHBondContact O-N 2.98Å; C144-C201 HydrophobicContact CB-CB 3.64Å; C144-C201 WeakPolarHBondContact CB-SG 3.42Å; C144-C201 WeakPolarHBondContact SG-CB 3.26Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 3.2Å |
| 145 | R | 96.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.8 | -174 | -172.7 | 177.7 | -56.4 | -85.7 | -1.4 | 110.8 | P124 V125 E127 V183 | P124-R145 WeakPolarHBondContact CA-O 3.31Å; V125-R145 PolarHBondContact N-O 3.16Å; V125-R145 PolarHBondContact O-N 3.26Å; E127-R145 IonicContact OE1-CZ 3.15Å; E127-R145 IonicContact OE1-NE 2.83Å; E127-R145 PolarHBondContact OE1-NE 2.83Å; E127-R145 VanDerWaalsContact OE1-NE 3.16Å; E127-R145 IonicContact OE1-NH2 3.84Å; E127-R145 PolarHBondContact OE1-NH2 2.85Å; R145-V183 HydrophobicContact CG-CG2 4.27Å |
| 146 | A | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 126.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P121 I155 A182 V203 | P121-A146 HydrophobicContact CB-CB 4.25Å; A146-I155 HydrophobicContact CB-CD1 4.47Å; A146-A182 PolarHBondContact N-O 2.78Å; A146-A182 PolarHBondContact O-N 2.88Å; A146-V203 HydrophobicContact CB-CG1 3.96Å; A146-V203 HydrophobicContact CB-CG2 4.25Å |
| 147 | S | 95.3 | Very high | 96 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 168.8 | -169.7 | 65.5 | 0 | 0 | 0 | 0 | 113 | S122 A149 | S122-S147 PolarHBondContact N-O 2.78Å; S122-S147 PolarHBondContact OG-N 2.89Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 2.62Å |
| 148 | G | 94.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.3 | 10.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V119 M174 R179 E180 | V119-G148 WeakPolarHBondContact CG1-O 3.28Å; G148-M174 VanDerWaalsContact CA-SD 3.54Å; G148-M174 PolarHBondContact N-SD 3.38Å; G148-R179 VanDerWaalsContact O-CD 3.23Å; G148-R179 WeakPolarHBondContact O-CD 3.49Å; G148-E180 PolarHBondContact N-O 2.94Å |
| 149 | A | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 154 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 P121 S147 P151 A153 R179 E180 | V119-A149 CarbonylContact O-C 3.54Å; V119-A149 WeakPolarHBondContact O-CA 3.4Å; P121-A149 HydrophobicContact CB-CB 4Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 2.62Å; A149-P151 CarbonylContact C-O 3.51Å; A149-P151 VanDerWaalsContact CB-O 3.23Å; A149-P151 WeakPolarHBondContact CB-O 3.46Å; A149-A153 HydrophobicContact CB-CB 4.23Å; A149-R179 CarbonylContact O-C 3.55Å; A149-R179 WeakPolarHBondContact O-CA 3.4Å; A149-E180 PolarHBondContact N-O 3Å; A149-E180 VanDerWaalsContact N-O 3.09Å; A149-E180 PolarHBondContact O-N 2.8Å |
| 150 | K | 95.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -141.6 | 116.1 | 163.7 | -167.1 | -176.6 | -175.4 | -166.8 | 0 | 110.4 | L93 D96 L118 V119 K178 | L93-K150 HydrophobicContact CD1-CD 3.87Å; D96-K150 IonicContact OD1-NZ 3.98Å; D96-K150 PolarHBondContact OD1-NZ 3.22Å; D96-K150 IonicContact OD2-NZ 2.73Å; D96-K150 PolarHBondContact OD2-NZ 2.87Å; L118-K150 VanDerWaalsContact CA-O 3.28Å; L118-K150 WeakPolarHBondContact CA-O 3.25Å; V119-K150 HydrophobicContact CB-CB 3.95Å; V119-K150 HydrophobicContact CG2-CB 4.01Å; V119-K150 PolarHBondContact N-O 2.81Å; V119-K150 PolarHBondContact O-N 2.98Å; K150-K178 VanDerWaalsContact CD-O 3.23Å; K150-K178 WeakPolarHBondContact CD-O 3.37Å; K150-K178 WeakPolarHBondContact CE-O 3.43Å; K150-K178 WeakPolarHBondContact CG-O 3.48Å |
| 151 | P | 95.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | S | Bend | cis | -62.8 | 177.9 | -10.6 | 31.8 | -38 | 0 | 0 | 0 | 111.7 | A149 A153 N205 P206 | A149-P151 CarbonylContact C-O 3.51Å; A149-P151 VanDerWaalsContact CB-O 3.23Å; A149-P151 WeakPolarHBondContact CB-O 3.46Å; P151-A153 PolarHBondContact O-N 2.86Å; P151-N205 PolarHBondContact O-ND2 3.35Å; P151-P206 HydrophobicContact CG-CG 4.28Å |
| 152 | A | 95.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -47.1 | 141.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K171 E180 | A152-K171 HydrophobicContact CB-CB 4.02Å; A152-K171 HydrophobicContact CB-CD 3.51Å; A152-K171 HydrophobicContact CB-CG 4.43Å; A152-E180 HydrophobicContact CB-CB 3.69Å; A152-E180 HydrophobicContact CB-CG 4.38Å; A152-E180 VanDerWaalsContact CB-OE2 3.27Å; A152-E180 WeakPolarHBondContact CB-OE2 3.38Å; A152-E180 PolarHBondContact N-OE2 2.84Å |
| 153 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 136.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | P121 A149 P151 Y169 A182 V203 L204 N205 | P121-A153 HydrophobicContact CB-CB 3.98Å; P121-A153 HydrophobicContact CG-CB 4Å; A149-A153 HydrophobicContact CB-CB 4.23Å; P151-A153 PolarHBondContact O-N 2.86Å; A153-Y169 PolarHBondContact O-OH 2.9Å; A153-A182 WeakPolarHBondContact O-CB 3.35Å; A153-V203 HydrophobicContact CB-CG1 3.39Å; A153-L204 CarbonylContact C-O 3.56Å; A153-L204 VanDerWaalsContact CA-O 3.32Å; A153-L204 WeakPolarHBondContact CA-O 3.4Å; A153-L204 WeakPolarHBondContact CB-O 3.36Å; A153-N205 HydrophobicContact CB-CB 4.03Å |
| 154 | E | 96.2 | Very high | 95 | Very high | 123 Ų | 123 | 45.7 Ų | 45.7 | 58% | 0.575 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.4 | 173.6 | 179.9 | 174.6 | -156.3 | 0 | 0 | 109.4 | V203 L204 | E154-V203 CarbonylContact O-C 3.57Å; E154-V203 VanDerWaalsContact O-CA 3.27Å; E154-V203 WeakPolarHBondContact O-CA 3.5Å; E154-L204 HydrophobicContact CB-CB 4.43Å; E154-L204 PolarHBondContact N-O 2.83Å; E154-L204 PolarHBondContact O-N 2.81Å |
| 155 | I | 97.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.4 | -177.6 | -53.7 | -176.5 | 0 | 0 | 0 | 110 | C144 A146 Y169 A182 C201 R202 V203 | C144-I155 HydrophobicContact CB-CG2 4.37Å; A146-I155 HydrophobicContact CB-CD1 4.47Å; I155-Y169 HydrophobicContact CB-CD2 4.35Å; I155-Y169 HydrophobicContact CG1-CE2 4.27Å; I155-A182 HydrophobicContact CD1-CB 3.71Å; I155-A182 HydrophobicContact CG1-CB 4.12Å; I155-C201 WeakPolarHBondContact CG2-SG 3.37Å; I155-R202 WeakPolarHBondContact CA-O 3.37Å; I155-V203 HydrophobicContact CG1-CG2 4Å; I155-V203 HydrophobicContact CG2-CG2 4.26Å |
| 156 | T | 96.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.3 | 177.4 | -44.7 | 0 | 0 | 0 | 0 | 109.7 | Y158 V163 R202 | T156-Y158 HydrophobicContact CG2-CD2 4.3Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; T156-V163 HydrophobicContact CG2-CG1 3.82Å; T156-V163 HydrophobicContact CG2-CG2 4.34Å; T156-R202 PolarHBondContact N-O 3.22Å; T156-R202 PolarHBondContact O-N 2.89Å |
| 157 | W | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.1 | 172.7 | -76.7 | 95.5 | 0 | 0 | 0 | 111.3 | V126 L142 C144 M164 A167 S184 L186 C201 | V126-W157 HydrophobicContact CB-CH2 4.45Å; V126-W157 HydrophobicContact CG1-CH2 3.9Å; V126-W157 HydrophobicContact CG2-CH2 3.63Å; V126-W157 HydrophobicContact CG2-CZ2 4.5Å; V126-W157 HydrophobicContact CG2-CZ3 4.06Å; L142-W157 HydrophobicContact CB-CH2 3.64Å; L142-W157 HydrophobicContact CB-CZ2 3.99Å; L142-W157 HydrophobicContact CB-CZ3 4.26Å; L142-W157 HydrophobicContact CD1-CZ3 4.38Å; L142-W157 WeakPolarHBondContact O-CZ2 3.2Å; C144-W157 HydrophobicContact CB-CH2 3.95Å; C144-W157 HydrophobicContact CB-CZ2 3.45Å; C144-W157 VanDerWaalsContact CB-CZ2 3.45Å; W157-M164 HydrophobicContact CB-CB 4.07Å; W157-M164 PolarHBondContact O-N 2.83Å; W157-A167 HydrophobicContact CG-CB 4.39Å; W157-S184 PolarHBondContact NE1-OG 2.8Å; W157-L186 HydrophobicContact CB-CD2 4.08Å; W157-L186 HydrophobicContact CD2-CB 3.93Å; W157-L186 HydrophobicContact CD2-CD2 4.06Å; W157-L186 HydrophobicContact CE3-CD2 4.18Å; W157-L186 HydrophobicContact CG-CB 3.95Å; W157-L186 HydrophobicContact CG-CD2 4.07Å; W157-L186 HydrophobicContact CG-CG 4.44Å; W157-L186 HydrophobicContact CZ2-CB 4.32Å; W157-C201 HydrophobicContact CD2-CB 4.49Å; W157-C201 HydrophobicContact CE3-CB 4.2Å; W157-C201 HydrophobicContact CH2-CB 4.33Å; W157-C201 HydrophobicContact CZ3-CB 4.11Å |
| 158 | Y | 96.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 58 Ų | 58 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.9 | 173.3 | -66.8 | -100.2 | 0 | 0 | 0 | 110.2 | T156 E162 V163 Y199 T200 R202 | T156-Y158 HydrophobicContact CG2-CD2 4.3Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; Y158-E162 CarbonylContact C-O 3.58Å; Y158-E162 WeakPolarHBondContact CA-O 3.43Å; Y158-V163 HydrophobicContact CD1-CG2 3.9Å; Y158-V163 HydrophobicContact CE1-CG2 3.4Å; Y158-Y199 CarbonylContact O-C 3.52Å; Y158-Y199 WeakPolarHBondContact O-CA 2.96Å; Y158-T200 PolarHBondContact N-O 2.75Å; Y158-T200 PolarHBondContact O-N 3.07Å; Y158-R202 HydrophobicContact CD2-CB 3.97Å; Y158-R202 HydrophobicContact CE2-CB 3.67Å; Y158-R202 HydrophobicContact CE2-CG 4.35Å |
| 159 | R | 94.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.8 | 168.5 | 179.7 | -175.6 | 65 | -177.6 | -4 | 108.1 | G161 E162 M164 Y199 | R159-G161 PolarHBondContact O-N 2.84Å; R159-E162 PolarHBondContact N-O 2.78Å; R159-E162 PolarHBondContact O-N 2.88Å; R159-M164 HydrophobicContact CB-CE 4.07Å; R159-M164 HydrophobicContact CB-CG 3.94Å; R159-M164 HydrophobicContact CB-SD 3.69Å; R159-Y199 HydrophobicContact CB-CD1 4.19Å; R159-Y199 HydrophobicContact CB-CE1 4.02Å; R159-Y199 WeakPolarHBondContact CD-OH 3.02Å; R159-Y199 HydrophobicContact CG-CD1 4.4Å; R159-Y199 HydrophobicContact CG-CE1 3.97Å; R159-Y199 HydrophobicContact CG-CE2 4.21Å |
| 160 | D | 85.3 | Confident | 94.6 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 19.3 | 178.7 | -50.3 | -42.1 | 0 | 0 | 0 | 115.3 | R197 T198 | D160-R197 WeakPolarHBondContact OD2-CD 3.42Å; D160-T198 PolarHBondContact N-O 2.91Å; D160-T198 PolarHBondContact OD1-N 3.05Å; D160-T198 VanDerWaalsContact OD1-N 3.11Å |
| 161 | G | 86.4 | Confident | 94.6 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.3 | -19 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R159 | R159-G161 PolarHBondContact O-N 2.84Š|
| 162 | E | 92.9 | Very high | 94.6 | Very high | 127 Ų | 127 | 68.7 Ų | 68.7 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.7 | 180 | -60.8 | -173.5 | 147.5 | 0 | 0 | 112.3 | Y158 R159 M164 | Y158-E162 CarbonylContact C-O 3.58Å; Y158-E162 WeakPolarHBondContact CA-O 3.43Å; R159-E162 PolarHBondContact N-O 2.78Å; R159-E162 PolarHBondContact O-N 2.88Å; E162-M164 HydrophobicContact CB-CE 4.02Å |
| 163 | V | 95.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.3 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | T156 Y158 | T156-V163 HydrophobicContact CG2-CG1 3.82Å; T156-V163 HydrophobicContact CG2-CG2 4.34Å; Y158-V163 HydrophobicContact CD1-CG2 3.9Å; Y158-V163 HydrophobicContact CE1-CG2 3.4Å |
| 164 | M | 95.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 76.1 Ų | 76.1 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | trans | -100 | 104.1 | 178.1 | -58.2 | -72.7 | 93.5 | 0 | 0 | 111 | W157 R159 E162 T166 L186 | W157-M164 HydrophobicContact CB-CB 4.07Å; W157-M164 PolarHBondContact O-N 2.83Å; R159-M164 HydrophobicContact CB-CE 4.07Å; R159-M164 HydrophobicContact CB-CG 3.94Å; R159-M164 HydrophobicContact CB-SD 3.69Å; E162-M164 HydrophobicContact CB-CE 4.02Å; M164-T166 VanDerWaalsContact C-N 3.34Å; M164-T166 PolarHBondContact O-N 2.72Å; M164-L186 HydrophobicContact CB-CD1 3.7Å; M164-L186 HydrophobicContact CB-CD2 4.27Å; M164-L186 HydrophobicContact CG-CD1 4.44Å; M164-L186 HydrophobicContact CG-CD2 4.23Å | ||
| 165 | E | 90.9 | Very high | 94.3 | Very high | 183 Ų | 183 | 80.2 Ų | 80.2 | 86% | 0.855 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.7 | -175.7 | -60.2 | -173.1 | 160.6 | 0 | 0 | 114.6 | A167 | E165-A167 PolarHBondContact O-N 2.78Š|
| 166 | T | 92.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 56% | 0.564 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.6 | -177.5 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | M164 L186 P187 | M164-T166 VanDerWaalsContact C-N 3.34Å; M164-T166 PolarHBondContact O-N 2.72Å; T166-L186 WeakPolarHBondContact OG1-CD1 3.44Å; T166-P187 VanDerWaalsContact O-CD 3.25Å; T166-P187 WeakPolarHBondContact O-CD 3.49Å |
| 167 | A | 95.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 83.5 Ų | 83.5 | 22% | 0.223 | 45% | 0.451 | C | S | . | . | trans | -76 | 132.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W157 E165 Y169 M185 L186 | W157-A167 HydrophobicContact CG-CB 4.39Å; E165-A167 PolarHBondContact O-N 2.78Å; A167-Y169 PolarHBondContact O-N 2.98Å; A167-M185 CarbonylContact C-O 3.49Å; A167-M185 WeakPolarHBondContact CA-O 3.39Å; A167-L186 HydrophobicContact CB-CB 4.41Å; A167-L186 HydrophobicContact CB-CD1 4.05Å | ||
| 168 | I | 96.2 | Very high | 93.1 | Very high | 112 Ų | 112 | 87.2 Ų | 87.2 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 103.8 | 178.7 | -55.7 | 175.9 | 0 | 0 | 0 | 108.8 | S184 M185 | I168-S184 WeakPolarHBondContact O-CA 3.43Å; I168-M185 PolarHBondContact N-O 3.35Å; I168-M185 PolarHBondContact O-N 2.85Å |
| 169 | Y | 96.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 88.9 Ų | 88.9 | 37% | 0.373 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.8 | 175.1 | 176.4 | -95.4 | 0 | 0 | 0 | 112.2 | A153 I155 A167 K171 A182 | A153-Y169 PolarHBondContact O-OH 2.9Å; I155-Y169 HydrophobicContact CB-CD2 4.35Å; I155-Y169 HydrophobicContact CG1-CE2 4.27Å; A167-Y169 PolarHBondContact O-N 2.98Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CG 4.49Å; Y169-A182 HydrophobicContact CE2-CB 3.91Å |
| 170 | S | 96.6 | Very high | 93.1 | Very high | 56 Ų | 56 | 86.7 Ų | 86.7 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.1 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | V183 | S170-V183 PolarHBondContact N-O 2.87Å; S170-V183 PolarHBondContact O-N 2.89Å; S170-V183 VanDerWaalsContact O-O 3.11Å; S170-V183 PolarHBondContact OG-O 2.82Å |
| 171 | K | 95.6 | Very high | 93.7 | Very high | 117 Ų | 117 | 82.9 Ų | 82.9 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.7 | 173 | 65.8 | 167.4 | -172.5 | 156.2 | 0 | 112.3 | A152 Y169 E180 A181 | A152-K171 HydrophobicContact CB-CB 4.02Å; A152-K171 HydrophobicContact CB-CD 3.51Å; A152-K171 HydrophobicContact CB-CG 4.43Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CG 4.49Å; K171-E180 WeakPolarHBondContact CD-OE1 3.43Å; K171-E180 WeakPolarHBondContact CE-OE1 3.38Å; K171-E180 IonicContact NZ-OE1 2.77Å; K171-E180 PolarHBondContact NZ-OE1 2.92Å; K171-E180 IonicContact NZ-OE2 2.71Å; K171-E180 PolarHBondContact NZ-OE2 2.6Å; K171-A181 CarbonylContact C-O 3.59Å; K171-A181 VanDerWaalsContact CA-O 3.23Å; K171-A181 WeakPolarHBondContact CA-O 3.38Å |
| 172 | A | 95.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 80 Ų | 80 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E180 A181 | A172-E180 CarbonylContact O-C 3.54Å; A172-E180 VanDerWaalsContact O-CA 3.29Å; A172-E180 WeakPolarHBondContact O-CA 3.42Å; A172-A181 PolarHBondContact N-O 2.95Å; A172-A181 PolarHBondContact O-N 2.92Å |
| 173 | L | 95.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141.1 | 172.2 | -164.6 | 68.9 | 0 | 0 | 0 | 109.7 | E180 | L173-E180 HydrophobicContact CD1-CG 4.11Å |
| 174 | M | 94.2 | Very high | 94.5 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 30% | 0.296 | 38% | 0.376 | S | S | . | . | trans | -84.5 | 167.4 | 177.1 | -63.2 | -173.4 | 66.4 | 0 | 0 | 111.8 | G148 D176 G177 R179 A181 | G148-M174 VanDerWaalsContact CA-SD 3.54Å; G148-M174 PolarHBondContact N-SD 3.38Å; M174-D176 PolarHBondContact O-N 2.87Å; M174-D176 VanDerWaalsContact O-N 3.08Å; M174-G177 PolarHBondContact O-N 2.94Å; M174-R179 HydrophobicContact CB-CB 4.43Å; M174-R179 WeakPolarHBondContact CB-O 3.48Å; M174-R179 HydrophobicContact CG-CB 4.41Å; M174-R179 PolarHBondContact N-O 3.13Å; M174-R179 HydrophobicContact SD-CB 3.94Å; M174-A181 HydrophobicContact CG-CB 4.38Å | ||
| 175 | E | 91.6 | Very high | 94.6 | Very high | 210 Ų | 210 | 73.2 Ų | 73.2 | 98% | 0.981 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.2 | -176.6 | -60.7 | -179.2 | 159 | 0 | 0 | 114.2 | G177 | E175-G177 PolarHBondContact O-N 2.87Š|
| 176 | D | 88.9 | Confident | 94.9 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.7 | 175.4 | 60.3 | 51.5 | 0 | 0 | 0 | 114.7 | M174 K178 R179 | M174-D176 PolarHBondContact O-N 2.87Å; M174-D176 VanDerWaalsContact O-N 3.08Å; D176-K178 PolarHBondContact O-N 3.43Å; D176-K178 VanDerWaalsContact O-N 3.11Å; D176-K178 WeakPolarHBondContact OD1-CA 3.39Å; D176-K178 PolarHBondContact OD1-N 3.2Å; D176-R179 PolarHBondContact OD1-N 3.32Å; D176-R179 IonicContact OD2-CZ 2.67Å; D176-R179 IonicContact OD2-NE 3.74Å; D176-R179 PolarHBondContact OD2-NE 2.87Å; D176-R179 IonicContact OD2-NH2 3.94Å; D176-R179 PolarHBondContact OD2-NH2 3.19Å |
| 177 | G | 89 | Confident | 95.1 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 66.4 | 7.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M174 E175 | M174-G177 PolarHBondContact O-N 2.94Å; E175-G177 PolarHBondContact O-N 2.87Å |
| 178 | K | 89.8 | Confident | 95.1 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -127.2 | -33.5 | -173.3 | -74.9 | -172.7 | 168.2 | -173.5 | 0 | 114.2 | L93 K150 D176 | L93-K178 HydrophobicContact CD1-CB 4.04Å; L93-K178 HydrophobicContact CD1-CD 4.1Å; L93-K178 HydrophobicContact CD2-CB 4.06Å; L93-K178 HydrophobicContact CD2-CD 4.44Å; L93-K178 HydrophobicContact CG-CB 4.19Å; L93-K178 HydrophobicContact CG-CD 3.88Å; L93-K178 PolarHBondContact O-NZ 3.11Å; K150-K178 VanDerWaalsContact CD-O 3.23Å; K150-K178 WeakPolarHBondContact CD-O 3.37Å; K150-K178 WeakPolarHBondContact CE-O 3.43Å; K150-K178 WeakPolarHBondContact CG-O 3.48Å; D176-K178 PolarHBondContact O-N 3.43Å; D176-K178 VanDerWaalsContact O-N 3.11Å; D176-K178 WeakPolarHBondContact OD1-CA 3.39Å; D176-K178 PolarHBondContact OD1-N 3.2Å |
| 179 | R | 95.4 | Very high | 95.1 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | trans | -97.8 | 154.1 | 175.6 | -69.4 | 176.9 | -62.8 | 174 | 3.2 | 110.9 | L93 G148 A149 M174 D176 | L93-R179 HydrophobicContact CD2-CG 3.75Å; G148-R179 VanDerWaalsContact O-CD 3.23Å; G148-R179 WeakPolarHBondContact O-CD 3.49Å; A149-R179 CarbonylContact O-C 3.55Å; A149-R179 WeakPolarHBondContact O-CA 3.4Å; M174-R179 HydrophobicContact CB-CB 4.43Å; M174-R179 WeakPolarHBondContact CB-O 3.48Å; M174-R179 HydrophobicContact CG-CB 4.41Å; M174-R179 PolarHBondContact N-O 3.13Å; M174-R179 HydrophobicContact SD-CB 3.94Å; D176-R179 PolarHBondContact OD1-N 3.32Å; D176-R179 IonicContact OD2-CZ 2.67Å; D176-R179 IonicContact OD2-NE 3.74Å; D176-R179 PolarHBondContact OD2-NE 2.87Å; D176-R179 IonicContact OD2-NH2 3.94Å; D176-R179 PolarHBondContact OD2-NH2 3.19Å | ||
| 180 | E | 96.1 | Very high | 95 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.8 | 177.6 | -56.8 | -170.6 | 111 | 0 | 0 | 110.5 | G148 A149 A152 K171 A172 L173 | G148-E180 PolarHBondContact N-O 2.94Å; A149-E180 PolarHBondContact N-O 3Å; A149-E180 VanDerWaalsContact N-O 3.09Å; A149-E180 PolarHBondContact O-N 2.8Å; A152-E180 HydrophobicContact CB-CB 3.69Å; A152-E180 HydrophobicContact CB-CG 4.38Å; A152-E180 VanDerWaalsContact CB-OE2 3.27Å; A152-E180 WeakPolarHBondContact CB-OE2 3.38Å; A152-E180 PolarHBondContact N-OE2 2.84Å; K171-E180 WeakPolarHBondContact CD-OE1 3.43Å; K171-E180 WeakPolarHBondContact CE-OE1 3.38Å; K171-E180 IonicContact NZ-OE1 2.77Å; K171-E180 PolarHBondContact NZ-OE1 2.92Å; K171-E180 IonicContact NZ-OE2 2.71Å; K171-E180 PolarHBondContact NZ-OE2 2.6Å; A172-E180 CarbonylContact O-C 3.54Å; A172-E180 VanDerWaalsContact O-CA 3.29Å; A172-E180 WeakPolarHBondContact O-CA 3.42Å; L173-E180 HydrophobicContact CD1-CG 4.11Å |
| 181 | A | 96.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K171 A172 M174 | K171-A181 CarbonylContact C-O 3.59Å; K171-A181 VanDerWaalsContact CA-O 3.23Å; K171-A181 WeakPolarHBondContact CA-O 3.38Å; A172-A181 PolarHBondContact N-O 2.95Å; A172-A181 PolarHBondContact O-N 2.92Å; M174-A181 HydrophobicContact CG-CB 4.38Å |
| 182 | A | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A146 A153 I155 Y169 | A146-A182 PolarHBondContact N-O 2.78Å; A146-A182 PolarHBondContact O-N 2.88Å; A153-A182 WeakPolarHBondContact O-CB 3.35Å; I155-A182 HydrophobicContact CD1-CB 3.71Å; I155-A182 HydrophobicContact CG1-CB 4.12Å; Y169-A182 HydrophobicContact CE2-CB 3.91Å |
| 183 | V | 97.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.6 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | T143 C144 R145 S170 M185 | T143-V183 HydrophobicContact CG2-CG1 3.59Å; C144-V183 WeakPolarHBondContact O-CA 3.49Å; R145-V183 HydrophobicContact CG-CG2 4.27Å; S170-V183 PolarHBondContact N-O 2.87Å; S170-V183 PolarHBondContact O-N 2.89Å; S170-V183 VanDerWaalsContact O-O 3.11Å; S170-V183 PolarHBondContact OG-O 2.82Å; V183-M185 HydrophobicContact CG1-CE 4.3Å |
| 184 | S | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.9 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | C144 W157 I168 | C144-S184 PolarHBondContact N-O 2.85Å; C144-S184 PolarHBondContact O-N 2.98Å; W157-S184 PolarHBondContact NE1-OG 2.8Å; I168-S184 WeakPolarHBondContact O-CA 3.43Å |
| 185 | M | 97.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 53 Ų | 53 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.5 | -179.2 | -65.9 | 178.5 | -179.4 | 0 | 0 | 110 | L142 T143 A167 I168 V183 P187 | L142-M185 CarbonylContact O-C 3.59Å; L142-M185 WeakPolarHBondContact O-CA 3.3Å; T143-M185 HydrophobicContact CG2-CE 4.35Å; T143-M185 HydrophobicContact CG2-CG 4.29Å; A167-M185 CarbonylContact C-O 3.49Å; A167-M185 WeakPolarHBondContact CA-O 3.39Å; I168-M185 PolarHBondContact N-O 3.35Å; I168-M185 PolarHBondContact O-N 2.85Å; V183-M185 HydrophobicContact CG1-CE 4.3Å; M185-P187 WeakPolarHBondContact O-CD 3.38Å |
| 186 | L | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.2 | 174.8 | 179.3 | 69 | 0 | 0 | 0 | 110 | N141 L142 W157 M164 T166 A167 I188 Y199 | N141-L186 WeakPolarHBondContact CA-O 3.45Å; L142-L186 HydrophobicContact CB-CB 4.42Å; L142-L186 PolarHBondContact N-O 2.96Å; L142-L186 PolarHBondContact O-N 3.13Å; W157-L186 HydrophobicContact CB-CD2 4.08Å; W157-L186 HydrophobicContact CD2-CB 3.93Å; W157-L186 HydrophobicContact CD2-CD2 4.06Å; W157-L186 HydrophobicContact CE3-CD2 4.18Å; W157-L186 HydrophobicContact CG-CB 3.95Å; W157-L186 HydrophobicContact CG-CD2 4.07Å; W157-L186 HydrophobicContact CG-CG 4.44Å; W157-L186 HydrophobicContact CZ2-CB 4.32Å; M164-L186 HydrophobicContact CB-CD1 3.7Å; M164-L186 HydrophobicContact CB-CD2 4.27Å; M164-L186 HydrophobicContact CG-CD1 4.44Å; M164-L186 HydrophobicContact CG-CD2 4.23Å; T166-L186 WeakPolarHBondContact OG1-CD1 3.44Å; A167-L186 HydrophobicContact CB-CB 4.41Å; A167-L186 HydrophobicContact CB-CD1 4.05Å; L186-I188 HydrophobicContact CD2-CG2 4.13Å; L186-I188 HydrophobicContact CG-CG2 4.05Å; L186-Y199 HydrophobicContact CD2-CD1 3.64Å; L186-Y199 HydrophobicContact CD2-CE1 3.83Å |
| 187 | P | 96.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.5 | 173 | 30.8 | -33.3 | 0 | 0 | 0 | 110.6 | T166 M185 | T166-P187 VanDerWaalsContact O-CD 3.25Å; T166-P187 WeakPolarHBondContact O-CD 3.49Å; M185-P187 WeakPolarHBondContact O-CD 3.38Å |
| 188 | I | 95.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.6 | 176.6 | 59.2 | 168.1 | 0 | 0 | 0 | 110.9 | L134 P139 H140 L142 L186 Y199 | L134-I188 HydrophobicContact CD1-CD1 3.7Å; P139-I188 WeakPolarHBondContact CA-O 3.41Å; H140-I188 HydrophobicContact CB-CG1 4.31Å; H140-I188 PolarHBondContact N-O 3.37Å; H140-I188 WeakPolarHBondContact O-CG1 3.12Å; H140-I188 PolarHBondContact O-N 2.96Å; H140-I188 VanDerWaalsContact O-O 3.14Å; L142-I188 HydrophobicContact CD1-CD1 3.87Å; L142-I188 HydrophobicContact CD2-CD1 4.41Å; L142-I188 HydrophobicContact CG-CD1 3.91Å; L142-I188 HydrophobicContact CG-CG1 4.43Å; L186-I188 HydrophobicContact CD2-CG2 4.13Å; L186-I188 HydrophobicContact CG-CG2 4.05Å; I188-Y199 HydrophobicContact CG2-CE1 4.01Å |
| 189 | I | 95.8 | Very high | 95.1 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | trans | -120.7 | 104.6 | 165.3 | -55.6 | 179.6 | 0 | 0 | 0 | 105.2 | P139 | P139-I189 HydrophobicContact CB-CG1 4.3Å; P139-I189 HydrophobicContact CG-CD1 4.42Å; P139-I189 HydrophobicContact CG-CG1 4.19Å | ||
| 190 | P | 94.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | trans | -77.2 | 127.4 | -171.2 | 30.3 | -33.9 | 0 | 0 | 0 | 111.3 | L134 K135 A136 H137 T138 V220 | L134-P190 HydrophobicContact CB-CB 4.43Å; L134-P190 HydrophobicContact CB-CG 3.98Å; L134-P190 HydrophobicContact CD1-CB 4.19Å; L134-P190 HydrophobicContact CD1-CG 4.06Å; K135-P190 WeakPolarHBondContact O-CG 3.32Å; A136-P190 CarbonylContact C-O 3.47Å; A136-P190 WeakPolarHBondContact CA-O 3.48Å; H137-P190 PolarHBondContact N-O 2.85Å; T138-P190 WeakPolarHBondContact O-CD 3.19Å; P190-V220 HydrophobicContact CB-CG1 4.37Å; P190-V220 HydrophobicContact CB-CG2 3.88Å | ||
| 191 | E | 93.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 37.6 Ų | 37.6 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | trans | -90.7 | 163.2 | 168.3 | -62.9 | 179.2 | 173.8 | 0 | 0 | 110.7 | S193 D194 V220 | E191-S193 PolarHBondContact O-N 2.6Å; E191-S193 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact OE2-OG 2.98Å; E191-D194 PolarHBondContact N-OD2 2.78Å; E191-D194 WeakPolarHBondContact O-CB 3.44Å; E191-D194 PolarHBondContact O-N 2.83Å; E191-V220 WeakPolarHBondContact O-CG2 3.36Å | ||
| 192 | D | 90.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 40% | 0.401 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -57.8 | -25 | 168.9 | -57.5 | -43.5 | 0 | 0 | 0 | 111.7 | A136 D194 S195 H222 | A136-D192 VanDerWaalsContact CB-OD1 3.25Å; A136-D192 WeakPolarHBondContact CB-OD1 3.36Å; D192-D194 VanDerWaalsContact C-N 3.3Å; D192-D194 PolarHBondContact O-N 2.79Å; D192-S195 WeakPolarHBondContact O-CB 3.49Å; D192-S195 PolarHBondContact O-N 2.91Å; D192-H222 WeakPolarHBondContact OD1-CB 3.41Å; D192-H222 IonicContact OD1-CD2 2.62Å; D192-H222 IonicContact OD1-CG 3.38Å |
| 193 | S | 91.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -68.1 | -21.6 | 173.7 | 90.6 | 0 | 0 | 0 | 0 | 114.2 | E191 S195 R197 | E191-S193 PolarHBondContact O-N 2.6Å; E191-S193 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact OE2-OG 2.98Å; S193-S195 VanDerWaalsContact C-N 3.32Å; S193-R197 VanDerWaalsContact C-CZ 3.5Å; S193-R197 PolarHBondContact O-NE 2.85Å; S193-R197 PolarHBondContact O-NH1 3.08Å; S193-R197 PolarHBondContact O-NH2 2.81Å; S193-R197 PolarHBondContact OG-NH1 3.36Å; S193-R197 PolarHBondContact OG-NH2 3.38Å |
| 194 | D | 92.5 | Very high | 95.2 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -79.6 | -10.4 | 176.6 | -72 | -64.1 | 0 | 0 | 0 | 113.4 | E191 D192 G196 R197 Y199 V220 | E191-D194 PolarHBondContact N-OD2 2.78Å; E191-D194 WeakPolarHBondContact O-CB 3.44Å; E191-D194 PolarHBondContact O-N 2.83Å; D192-D194 VanDerWaalsContact C-N 3.3Å; D192-D194 PolarHBondContact O-N 2.79Å; D194-G196 PolarHBondContact O-N 2.66Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-R197 WeakPolarHBondContact O-CB 3.08Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 WeakPolarHBondContact OD1-CD 3.43Å; D194-R197 IonicContact OD1-CZ 3.58Å; D194-R197 IonicContact OD1-NE 3.78Å; D194-R197 IonicContact OD1-NH1 2.75Å; D194-R197 PolarHBondContact OD1-NH1 2.85Å; D194-R197 IonicContact OD2-NH1 3.66Å; D194-Y199 PolarHBondContact OD1-OH 3.23Å; D194-V220 HydrophobicContact CB-CG2 4.01Å |
| 195 | S | 93.3 | Very high | 95.1 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 116.4 | -178.2 | -148.3 | 0 | 0 | 0 | 0 | 110.7 | D192 S193 V220 | D192-S195 WeakPolarHBondContact O-CB 3.49Å; D192-S195 PolarHBondContact O-N 2.91Å; S193-S195 VanDerWaalsContact C-N 3.32Å; S195-V220 PolarHBondContact OG-N 3.01Å; S195-V220 VanDerWaalsContact OG-N 3.07Å |
| 196 | G | 92.4 | Very high | 95 | Very high | 49 Ų | 49 | 43 Ų | 43 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -10.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D194 I218 | D194-G196 PolarHBondContact O-N 2.66Å; D194-G196 VanDerWaalsContact O-N 3.15Å; G196-I218 PolarHBondContact N-O 3.15Å |
| 197 | R | 93.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | trans | -67 | 148.9 | 174.4 | -67.9 | -169.9 | -174.3 | 126.3 | 9.5 | 111.3 | D160 S193 D194 Y199 T217 I218 | D160-R197 WeakPolarHBondContact OD2-CD 3.42Å; S193-R197 VanDerWaalsContact C-CZ 3.5Å; S193-R197 PolarHBondContact O-NE 2.85Å; S193-R197 PolarHBondContact O-NH1 3.08Å; S193-R197 PolarHBondContact O-NH2 2.81Å; S193-R197 PolarHBondContact OG-NH1 3.36Å; S193-R197 PolarHBondContact OG-NH2 3.38Å; D194-R197 WeakPolarHBondContact O-CB 3.08Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 WeakPolarHBondContact OD1-CD 3.43Å; D194-R197 IonicContact OD1-CZ 3.58Å; D194-R197 IonicContact OD1-NE 3.78Å; D194-R197 IonicContact OD1-NH1 2.75Å; D194-R197 PolarHBondContact OD1-NH1 2.85Å; D194-R197 IonicContact OD2-NH1 3.66Å; R197-Y199 HydrophobicContact CB-CE2 4.32Å; R197-T217 WeakPolarHBondContact O-CA 3.32Å; R197-I218 PolarHBondContact O-N 3.49Å | ||
| 198 | T | 95.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119 | -173 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | D160 V216 T217 | D160-T198 PolarHBondContact N-O 2.91Å; D160-T198 PolarHBondContact OD1-N 3.05Å; D160-T198 VanDerWaalsContact OD1-N 3.11Å; T198-V216 WeakPolarHBondContact CA-O 3.34Å; T198-T217 PolarHBondContact OG1-OG1 3.45Å |
| 199 | Y | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122 | 178.4 | -71.9 | -105 | 0 | 0 | 0 | 109.3 | L142 Y158 R159 L186 I188 D194 R197 S215 V216 I218 | L142-Y199 HydrophobicContact CD1-CD1 3.81Å; L142-Y199 HydrophobicContact CD1-CD2 4.36Å; L142-Y199 HydrophobicContact CD1-CE1 4.34Å; L142-Y199 HydrophobicContact CD1-CG 3.8Å; Y158-Y199 CarbonylContact O-C 3.52Å; Y158-Y199 WeakPolarHBondContact O-CA 2.96Å; R159-Y199 HydrophobicContact CB-CD1 4.19Å; R159-Y199 HydrophobicContact CB-CE1 4.02Å; R159-Y199 WeakPolarHBondContact CD-OH 3.02Å; R159-Y199 HydrophobicContact CG-CD1 4.4Å; R159-Y199 HydrophobicContact CG-CE1 3.97Å; R159-Y199 HydrophobicContact CG-CE2 4.21Å; L186-Y199 HydrophobicContact CD2-CD1 3.64Å; L186-Y199 HydrophobicContact CD2-CE1 3.83Å; I188-Y199 HydrophobicContact CG2-CE1 4.01Å; D194-Y199 PolarHBondContact OD1-OH 3.23Å; R197-Y199 HydrophobicContact CB-CE2 4.32Å; Y199-S215 CarbonylContact O-C 3.55Å; Y199-S215 WeakPolarHBondContact O-CA 3.31Å; Y199-V216 PolarHBondContact N-O 2.89Å; Y199-V216 PolarHBondContact O-N 3.05Å; Y199-I218 HydrophobicContact CD2-CD1 4.05Å; Y199-I218 HydrophobicContact CD2-CG1 3.53Å; Y199-I218 HydrophobicContact CE2-CD1 4.42Å; Y199-I218 HydrophobicContact CE2-CG1 3.59Å |
| 200 | T | 97.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.2 | -177.6 | -62 | 0 | 0 | 0 | 0 | 110.2 | Y158 Q213 T214 S215 | Y158-T200 PolarHBondContact N-O 2.75Å; Y158-T200 PolarHBondContact O-N 3.07Å; T200-Q213 HydrophobicContact CG2-CB 4.09Å; T200-Q213 HydrophobicContact CG2-CG 4.46Å; T200-T214 CarbonylContact C-O 3.57Å; T200-T214 WeakPolarHBondContact CA-O 3.3Å; T200-S215 WeakPolarHBondContact CG2-OG 3.25Å; T200-S215 PolarHBondContact OG1-OG 2.82Å |
| 201 | C | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.1 | 168 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | V126 C144 I155 W157 Q213 T214 | V126-C201 HydrophobicContact CG2-CB 3.75Å; C144-C201 HydrophobicContact CB-CB 3.64Å; C144-C201 WeakPolarHBondContact CB-SG 3.42Å; C144-C201 WeakPolarHBondContact SG-CB 3.26Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 3.2Å; I155-C201 WeakPolarHBondContact CG2-SG 3.37Å; W157-C201 HydrophobicContact CD2-CB 4.49Å; W157-C201 HydrophobicContact CE3-CB 4.2Å; W157-C201 HydrophobicContact CH2-CB 4.33Å; W157-C201 HydrophobicContact CZ3-CB 4.11Å; C201-Q213 CarbonylContact O-C 3.51Å; C201-Q213 WeakPolarHBondContact O-CA 3.39Å; C201-Q213 WeakPolarHBondContact O-CB 3.17Å; C201-T214 HydrophobicContact CB-CG2 4.11Å; C201-T214 PolarHBondContact N-O 2.93Å; C201-T214 PolarHBondContact O-N 2.92Å |
| 202 | R | 96.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139.4 | 173.1 | -171.1 | 178.1 | -175.7 | -176.2 | 2.4 | 109.7 | I155 T156 Y158 Q213 | I155-R202 WeakPolarHBondContact CA-O 3.37Å; T156-R202 PolarHBondContact N-O 3.22Å; T156-R202 PolarHBondContact O-N 2.89Å; Y158-R202 HydrophobicContact CD2-CB 3.97Å; Y158-R202 HydrophobicContact CE2-CB 3.67Å; Y158-R202 HydrophobicContact CE2-CG 4.35Å; R202-Q213 HydrophobicContact CB-CB 4.35Å; R202-Q213 HydrophobicContact CG-CB 4.38Å |
| 203 | V | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.6 | -175.8 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | P121 P124 A146 A153 E154 I155 G211 R212 | P121-V203 HydrophobicContact CB-CG1 4.44Å; P121-V203 HydrophobicContact CG-CG1 4.14Å; P124-V203 HydrophobicContact CB-CG2 3.65Å; P124-V203 HydrophobicContact CG-CG2 4.14Å; A146-V203 HydrophobicContact CB-CG1 3.96Å; A146-V203 HydrophobicContact CB-CG2 4.25Å; A153-V203 HydrophobicContact CB-CG1 3.39Å; E154-V203 CarbonylContact O-C 3.57Å; E154-V203 VanDerWaalsContact O-CA 3.27Å; E154-V203 WeakPolarHBondContact O-CA 3.5Å; I155-V203 HydrophobicContact CG1-CG2 4Å; I155-V203 HydrophobicContact CG2-CG2 4.26Å; V203-G211 CarbonylContact O-C 3.6Å; V203-G211 WeakPolarHBondContact O-CA 3.23Å; V203-R212 PolarHBondContact N-O 2.85Å; V203-R212 PolarHBondContact O-N 3.47Å |
| 204 | L | 96.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140 | -178.2 | -66 | 174 | 0 | 0 | 0 | 110.4 | A153 E154 | A153-L204 CarbonylContact C-O 3.56Å; A153-L204 VanDerWaalsContact CA-O 3.32Å; A153-L204 WeakPolarHBondContact CA-O 3.4Å; A153-L204 WeakPolarHBondContact CB-O 3.36Å; E154-L204 HydrophobicContact CB-CB 4.43Å; E154-L204 PolarHBondContact N-O 2.83Å; E154-L204 PolarHBondContact O-N 2.81Å |
| 205 | N | 96.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 142.9 | 178 | -170.4 | -89 | 0 | 0 | 0 | 111.3 | P121 P151 A153 A207 A208 | P121-N205 HydrophobicContact CG-CB 4.09Å; P151-N205 PolarHBondContact O-ND2 3.35Å; A153-N205 HydrophobicContact CB-CB 4.03Å; N205-A207 PolarHBondContact O-N 2.62Å; N205-A207 WeakPolarHBondContact OD1-CB 3.27Å; N205-A207 PolarHBondContact OD1-N 3.26Å; N205-A208 CarbonylContact O-C 3.57Å; N205-A208 PolarHBondContact O-N 2.03Å |
| 206 | P | 95.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.8 | 177.3 | -29 | 37.7 | 0 | 0 | 0 | 115.4 | L118 P151 A208 | L118-P206 HydrophobicContact CD1-CB 3.82Å; P151-P206 HydrophobicContact CG-CG 4.28Å; P206-A208 VanDerWaalsContact C-N 3.32Å |
| 207 | A | 94.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V34 L118 P120 N205 | V34-A207 HydrophobicContact CG1-CB 3.84Å; V34-A207 HydrophobicContact CG2-CB 4.39Å; L118-A207 HydrophobicContact CB-CB 3.83Å; P120-A207 HydrophobicContact CB-CB 3.94Å; N205-A207 PolarHBondContact O-N 2.62Å; N205-A207 WeakPolarHBondContact OD1-CB 3.27Å; N205-A207 PolarHBondContact OD1-N 3.26Å |
| 208 | A | 93.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 68.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P120 N205 P206 A210 G211 | P120-A208 HydrophobicContact CB-CB 4.14Å; N205-A208 CarbonylContact O-C 3.57Å; N205-A208 PolarHBondContact O-N 2.03Å; P206-A208 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.16Å; A208-A210 VanDerWaalsContact O-N 3.15Å; A208-G211 WeakPolarHBondContact O-CA 3.39Å; A208-G211 PolarHBondContact O-N 3.07Å |
| 209 | P | 90.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 42 Ų | 42 | 76% | 0.76 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -17.3 | -167.7 | 25.5 | -35.5 | 0 | 0 | 0 | 115 | G211 | P209-G211 PolarHBondContact O-N 2.91Å |
| 210 | A | 92.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 73% | 0.727 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -22.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A208 | A208-A210 PolarHBondContact O-N 3.16Å; A208-A210 VanDerWaalsContact O-N 3.15Å |
| 211 | G | 92.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V203 A208 P209 | V203-G211 CarbonylContact O-C 3.6Å; V203-G211 WeakPolarHBondContact O-CA 3.23Å; A208-G211 WeakPolarHBondContact O-CA 3.39Å; A208-G211 PolarHBondContact O-N 3.07Å; P209-G211 PolarHBondContact O-N 2.91Å |
| 212 | R | 94.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.306 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 159.1 | 165 | -57.7 | -168.8 | -171.5 | -152.8 | 11.1 | 108.4 | P121 D123 P124 V203 | P121-R212 PolarHBondContact O-NH2 3.38Å; D123-R212 WeakPolarHBondContact OD1-CD 3.36Å; D123-R212 IonicContact OD1-CZ 2.81Å; D123-R212 IonicContact OD1-NE 3.03Å; D123-R212 IonicContact OD1-NH1 2.74Å; D123-R212 PolarHBondContact OD1-NH1 2.87Å; D123-R212 IonicContact OD2-NH1 3.2Å; D123-R212 PolarHBondContact OD2-NH1 3.02Å; P124-R212 HydrophobicContact CG-CB 4.25Å; V203-R212 PolarHBondContact N-O 2.85Å; V203-R212 PolarHBondContact O-N 3.47Å |
| 213 | Q | 95.6 | Very high | 95.1 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.2 | 174.4 | 66 | -175.3 | 51.5 | 0 | 0 | 112.2 | T200 C201 R202 | T200-Q213 HydrophobicContact CG2-CB 4.09Å; T200-Q213 HydrophobicContact CG2-CG 4.46Å; C201-Q213 CarbonylContact O-C 3.51Å; C201-Q213 WeakPolarHBondContact O-CA 3.39Å; C201-Q213 WeakPolarHBondContact O-CB 3.17Å; R202-Q213 HydrophobicContact CB-CB 4.35Å; R202-Q213 HydrophobicContact CG-CB 4.38Å |
| 214 | T | 96.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 153.9 | 171.4 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | P124 V126 T200 C201 | P124-T214 HydrophobicContact CB-CG2 3.96Å; P124-T214 HydrophobicContact CG-CG2 4.05Å; P124-T214 WeakPolarHBondContact O-CB 3.46Å; P124-T214 VanDerWaalsContact O-CG2 3.23Å; P124-T214 WeakPolarHBondContact O-CG2 3.31Å; V126-T214 HydrophobicContact CB-CG2 4.44Å; V126-T214 HydrophobicContact CG2-CG2 3.71Å; T200-T214 CarbonylContact C-O 3.57Å; T200-T214 WeakPolarHBondContact CA-O 3.3Å; C201-T214 HydrophobicContact CB-CG2 4.11Å; C201-T214 PolarHBondContact N-O 2.93Å; C201-T214 PolarHBondContact O-N 2.92Å |
| 215 | S | 95.4 | Very high | 95 | Very high | 52 Ų | 52 | 43 Ų | 43 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.3 | -174 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | Y199 T200 | Y199-S215 CarbonylContact O-C 3.55Å; Y199-S215 WeakPolarHBondContact O-CA 3.31Å; T200-S215 WeakPolarHBondContact CG2-OG 3.25Å; T200-S215 PolarHBondContact OG1-OG 2.82Å |
| 216 | V | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.9 | 172.2 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | V126 P130 V132 T198 Y199 I218 | V126-V216 HydrophobicContact CB-CG1 3.73Å; V126-V216 HydrophobicContact CG1-CB 4.41Å; V126-V216 HydrophobicContact CG1-CG1 3.67Å; V126-V216 HydrophobicContact CG1-CG2 3.82Å; P130-V216 WeakPolarHBondContact O-CA 3.32Å; V132-V216 HydrophobicContact CG2-CB 4.09Å; V132-V216 HydrophobicContact CG2-CG1 4.48Å; V132-V216 HydrophobicContact CG2-CG2 3.98Å; T198-V216 WeakPolarHBondContact CA-O 3.34Å; Y199-V216 PolarHBondContact N-O 2.89Å; Y199-V216 PolarHBondContact O-N 3.05Å; V216-I218 HydrophobicContact CG2-CD1 4.48Å |
| 217 | T | 96.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.5 | 173.4 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | P130 V131 V132 R197 T198 | P130-T217 PolarHBondContact O-N 3.47Å; V131-T217 CarbonylContact C-O 3.55Å; V131-T217 WeakPolarHBondContact CA-O 3.25Å; V132-T217 PolarHBondContact N-O 3.18Å; R197-T217 WeakPolarHBondContact O-CA 3.32Å; T198-T217 PolarHBondContact OG1-OG1 3.45Å |
| 218 | I | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.3 | 175.8 | -50.4 | -54.9 | 0 | 0 | 0 | 109.7 | V132 L134 L142 G196 R197 Y199 V216 V220 | V132-I218 HydrophobicContact CB-CD1 3.97Å; V132-I218 HydrophobicContact CG2-CD1 4.34Å; L134-I218 HydrophobicContact CD1-CD1 4.5Å; L134-I218 HydrophobicContact CD1-CG2 3.83Å; L134-I218 HydrophobicContact CG-CG2 4.19Å; L142-I218 HydrophobicContact CD1-CD1 4.1Å; L142-I218 HydrophobicContact CD2-CD1 4.02Å; G196-I218 PolarHBondContact N-O 3.15Å; R197-I218 PolarHBondContact O-N 3.49Å; Y199-I218 HydrophobicContact CD2-CD1 4.05Å; Y199-I218 HydrophobicContact CD2-CG1 3.53Å; Y199-I218 HydrophobicContact CE2-CD1 4.42Å; Y199-I218 HydrophobicContact CE2-CG1 3.59Å; V216-I218 HydrophobicContact CG2-CD1 4.48Å; I218-V220 HydrophobicContact CG2-CG2 3.64Å |
| 219 | S | 95.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 106.1 | 168.8 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | V132 R133 L134 N250 | V132-S219 PolarHBondContact O-N 3.08Å; R133-S219 WeakPolarHBondContact CA-O 3.42Å; L134-S219 PolarHBondContact N-O 2.94Å; S219-N250 PolarHBondContact OG-ND2 3.22Å |
| 220 | V | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.2 | -175.7 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | A136 P190 E191 D194 S195 I218 N250 | A136-V220 HydrophobicContact CB-CG1 3.77Å; P190-V220 HydrophobicContact CB-CG1 4.37Å; P190-V220 HydrophobicContact CB-CG2 3.88Å; E191-V220 WeakPolarHBondContact O-CG2 3.36Å; D194-V220 HydrophobicContact CB-CG2 4.01Å; S195-V220 PolarHBondContact OG-N 3.01Å; S195-V220 VanDerWaalsContact OG-N 3.07Å; I218-V220 HydrophobicContact CG2-CG2 3.64Å; V220-N250 PolarHBondContact O-ND2 2.9Å |
| 221 | Q | 95.5 | Very high | 95.8 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.6 | -176.7 | -63.7 | -173.5 | -9.8 | 0 | 0 | 111.4 | L134 A136 N250 P251 V294 | L134-Q221 VanDerWaalsContact O-CB 3.32Å; L134-Q221 WeakPolarHBondContact O-CB 3.35Å; L134-Q221 PolarHBondContact O-N 2.97Å; A136-Q221 PolarHBondContact N-O 3.24Å; Q221-N250 CarbonylContact C-O 3.37Å; Q221-N250 WeakPolarHBondContact CA-O 3.49Å; Q221-N250 WeakPolarHBondContact CB-O 3.34Å; Q221-P251 HydrophobicContact CG-CG 4.31Å; Q221-V294 HydrophobicContact CB-CG2 3.91Å |
| 222 | H | 93.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155.2 | -177 | 62 | 87.4 | 0 | 0 | 0 | 110.7 | D192 N250 N292 | D192-H222 WeakPolarHBondContact OD1-CB 3.41Å; D192-H222 IonicContact OD1-CD2 2.62Å; D192-H222 IonicContact OD1-CG 3.38Å; H222-N250 PolarHBondContact N-O 2.82Å; H222-N292 PolarHBondContact O-ND2 3.33Å |
| 223 | P | 95.1 | Very high | 95.5 | Very high | 57 Ų | 57 | 48 Ų | 48 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 164.5 | 169.6 | 30.4 | -36.3 | 0 | 0 | 0 | 111.1 | A225 | P223-A225 PolarHBondContact O-N 2.85Å |
| 224 | P | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 124.5 | 179.9 | -22.6 | 34.9 | 0 | 0 | 0 | 112.5 | V226 A247 S248 A249 V290 N292 T297 | P224-V226 HydrophobicContact CB-CG2 4.06Å; P224-V226 PolarHBondContact O-N 2.8Å; P224-A247 HydrophobicContact CB-CB 4.36Å; P224-S248 CarbonylContact C-O 3.46Å; P224-S248 WeakPolarHBondContact CA-O 3.4Å; P224-A249 HydrophobicContact CB-CB 4.02Å; P224-A249 HydrophobicContact CG-CB 3.98Å; P224-V290 HydrophobicContact CB-CB 4.02Å; P224-V290 HydrophobicContact CB-CG1 3.86Å; P224-V290 HydrophobicContact CG-CB 4.34Å; P224-V290 HydrophobicContact CG-CG1 4.04Å; P224-N292 HydrophobicContact CG-CB 4.21Å; P224-T297 WeakPolarHBondContact O-CB 3.4Å; P224-T297 PolarHBondContact O-OG1 2.9Å |
| 225 | A | 94.9 | Very high | 95.4 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 107.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | P223 A247 S248 | P223-A225 PolarHBondContact O-N 2.85Å; A225-A247 WeakPolarHBondContact O-CA 3.26Å; A225-S248 PolarHBondContact N-O 3Å; A225-S248 PolarHBondContact O-N 3.1Å |
| 226 | V | 97.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.7 | -167.9 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | P224 C245 A247 V290 T297 V299 | P224-V226 HydrophobicContact CB-CG2 4.06Å; P224-V226 PolarHBondContact O-N 2.8Å; V226-C245 VanDerWaalsContact CG1-SG 3.59Å; V226-A247 HydrophobicContact CB-CB 4.43Å; V226-A247 HydrophobicContact CG2-CB 4Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.84Å; V226-V290 HydrophobicContact CG2-CB 3.66Å; V226-V290 HydrophobicContact CG2-CG2 3.54Å; V226-T297 HydrophobicContact CB-CG2 4.15Å; V226-T297 HydrophobicContact CG2-CG2 3.81Å; V226-V299 HydrophobicContact CB-CG2 3.83Å; V226-V299 HydrophobicContact CG1-CB 4.2Å; V226-V299 HydrophobicContact CG1-CG2 3.96Å |
| 227 | T | 97.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 48 Ų | 48 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.9 | 171.1 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | C245 S246 | T227-C245 CarbonylContact O-C 3.58Å; T227-C245 WeakPolarHBondContact O-CA 3.48Å; T227-S246 PolarHBondContact N-O 2.78Å; T227-S246 PolarHBondContact O-N 2.75Å; T227-S246 PolarHBondContact OG1-O 3.08Å |
| 228 | L | 97.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.1 | 179.5 | 179.8 | 58.4 | 0 | 0 | 0 | 109.5 | F243 C245 W258 C288 V299 T301 | L228-F243 HydrophobicContact CD1-CB 4.31Å; L228-F243 HydrophobicContact CD1-CD1 4.29Å; L228-C245 HydrophobicContact CD1-CB 4.18Å; L228-W258 HydrophobicContact CD1-CH2 3.55Å; L228-W258 HydrophobicContact CD1-CZ3 3.67Å; L228-C288 HydrophobicContact CD1-CB 4.35Å; L228-V299 HydrophobicContact CB-CB 4.34Å; L228-V299 HydrophobicContact CB-CG1 3.85Å; L228-V299 WeakPolarHBondContact CD2-O 3.21Å; L228-T301 HydrophobicContact CD2-CG2 3.82Å; L228-T301 HydrophobicContact CG-CG2 4.01Å |
| 229 | S | 95.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 161.4 | 177.5 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | F243 I244 | S229-F243 WeakPolarHBondContact O-CA 3.24Å; S229-I244 PolarHBondContact N-O 2.82Å; S229-I244 PolarHBondContact O-N 2.92Å; S229-I244 PolarHBondContact OG-O 3.42Å |
| 230 | V | 96.6 | Very high | 95.3 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.1 | -171 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | V241 F243 V303 | V230-V241 HydrophobicContact CG2-CG1 3.29Å; V230-F243 HydrophobicContact CB-CD1 4.07Å; V230-F243 HydrophobicContact CB-CE1 4.12Å; V230-F243 HydrophobicContact CG2-CD1 4.09Å; V230-F243 HydrophobicContact CG2-CE1 3.85Å; V230-F243 HydrophobicContact CG2-CZ 4.22Å; V230-V303 HydrophobicContact CG2-CG2 4.22Å |
| 231 | Q | 95.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 121.3 | -172 | -60.9 | -171.4 | 34.1 | 0 | 0 | 111.6 | L242 | Q231-L242 PolarHBondContact N-O 3.35Å; Q231-L242 PolarHBondContact O-N 2.73Å |
| 232 | P | 95.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | S | Bend | cis | -65.2 | 155.4 | -8.7 | -12.7 | 28.5 | 0 | 0 | 0 | 111.7 | V235 | P232-V235 HydrophobicContact CB-CG1 3.7Å; P232-V235 HydrophobicContact CG-CG1 3.72Å |
| 233 | Q | 86.3 | Confident | 95.5 | Very high | 141 Ų | 141 | 53.7 Ų | 53.7 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -69.9 | -41 | 179.4 | -178.8 | 177.5 | -6 | 0 | 0 | 112.5 | D304 | Q233-D304 PolarHBondContact O-N 2.95Š|
| 234 | T | 94.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.6 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | D304 Q306 | T234-D304 WeakPolarHBondContact CA-O 3.38Å; T234-D304 WeakPolarHBondContact CB-OD2 3.47Å; T234-D304 HydrophobicContact CG2-CB 4.4Å; T234-D304 WeakPolarHBondContact CG2-OD2 3.39Å; T234-D304 PolarHBondContact OG1-OD2 2.84Å; T234-Q306 HydrophobicContact CG2-CG 4.09Å |
| 235 | V | 95.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.6 | -177 | -66 | 0 | 0 | 0 | 0 | 111.6 | P232 A239 V241 V277 V303 D304 V305 Q306 | P232-V235 HydrophobicContact CB-CG1 3.7Å; P232-V235 HydrophobicContact CG-CG1 3.72Å; V235-A239 HydrophobicContact CB-CB 3.81Å; V235-A239 HydrophobicContact CG1-CB 4.35Å; V235-A239 HydrophobicContact CG2-CB 4.24Å; V235-V241 HydrophobicContact CB-CG2 4.37Å; V235-V241 HydrophobicContact CG1-CG2 3.99Å; V235-V241 HydrophobicContact CG2-CG2 3.57Å; V235-V277 HydrophobicContact CG2-CG2 3.53Å; V235-V303 HydrophobicContact CG2-CG1 4.09Å; V235-D304 PolarHBondContact N-O 2.88Å; V235-D304 VanDerWaalsContact N-O 3.07Å; V235-V305 CarbonylContact O-C 3.59Å; V235-V305 WeakPolarHBondContact O-CA 3.34Å; V235-Q306 PolarHBondContact O-N 3.3Å |
| 236 | T | 95.1 | Very high | 95.7 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 153.1 | 170 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | G238 A239 Q306 | T236-G238 PolarHBondContact O-N 2.86Å; T236-A239 WeakPolarHBondContact O-CB 3.37Å; T236-A239 PolarHBondContact O-N 3.42Å; T236-Q306 HydrophobicContact CG2-CB 4.43Å |
| 237 | E | 94.8 | Very high | 95.7 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 134.4 | 166.7 | 177 | 157.9 | -131.9 | 0 | 0 | 111.3 | Y279 V305 Q306 F307 R310 | E237-Y279 WeakPolarHBondContact OE1-CB 3.31Å; E237-Y279 PolarHBondContact OE1-N 2.85Å; E237-V305 HydrophobicContact CB-CG1 4Å; E237-Q306 PolarHBondContact N-O 2.66Å; E237-F307 HydrophobicContact CB-CB 4.38Å; E237-R310 IonicContact OE1-CZ 3.72Å; E237-R310 IonicContact OE1-NH2 2.72Å; E237-R310 PolarHBondContact OE1-NH2 3.18Å; E237-R310 IonicContact OE2-CZ 3.66Å; E237-R310 IonicContact OE2-NE 2.98Å; E237-R310 IonicContact OE2-NH2 3.76Å; E237-R310 PolarHBondContact OE2-NH2 2.86Å |
| 238 | G | 94.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T236 T276 V277 | T236-G238 PolarHBondContact O-N 2.86Å; G238-T276 WeakPolarHBondContact O-CG2 3.42Å; G238-V277 PolarHBondContact N-O 2.83Å |
| 239 | A | 95.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | trans | -77.4 | 160.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V235 T236 T276 V277 | V235-A239 HydrophobicContact CB-CB 3.81Å; V235-A239 HydrophobicContact CG1-CB 4.35Å; V235-A239 HydrophobicContact CG2-CB 4.24Å; T236-A239 WeakPolarHBondContact O-CB 3.37Å; T236-A239 PolarHBondContact O-N 3.42Å; A239-T276 CarbonylContact O-C 3.54Å; A239-T276 WeakPolarHBondContact O-CA 3.23Å; A239-V277 PolarHBondContact O-N 2.84Å | ||
| 240 | K | 96.2 | Very high | 95.3 | Very high | 117 Ų | 117 | 53 Ų | 53 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.2 | 169 | -78.1 | -174.5 | 158.2 | -150.7 | 0 | 111.9 | E274 V275 | K240-E274 WeakPolarHBondContact CD-OE1 3.49Å; K240-E274 IonicContact NZ-OE1 2.75Å; K240-E274 PolarHBondContact NZ-OE1 2.85Å; K240-E274 IonicContact NZ-OE2 2.7Å; K240-E274 PolarHBondContact NZ-OE2 2.89Å; K240-V275 CarbonylContact C-O 3.57Å; K240-V275 WeakPolarHBondContact CA-O 3.4Å |
| 241 | V | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | V230 V235 E274 V275 V277 V303 | V230-V241 HydrophobicContact CG2-CG1 3.29Å; V235-V241 HydrophobicContact CB-CG2 4.37Å; V235-V241 HydrophobicContact CG1-CG2 3.99Å; V235-V241 HydrophobicContact CG2-CG2 3.57Å; V241-E274 WeakPolarHBondContact O-CA 3.36Å; V241-V275 PolarHBondContact N-O 2.88Å; V241-V275 PolarHBondContact O-N 2.67Å; V241-V277 HydrophobicContact CB-CG1 4.01Å; V241-V277 HydrophobicContact CG2-CB 4.42Å; V241-V277 HydrophobicContact CG2-CG1 3.64Å; V241-V277 HydrophobicContact CG2-CG2 3.88Å; V241-V303 HydrophobicContact CG2-CG1 4.35Å |
| 242 | L | 96.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.3 | 172.6 | -178.9 | 65.3 | 0 | 0 | 0 | 109.9 | Q231 I244 E274 | Q231-L242 PolarHBondContact N-O 3.35Å; Q231-L242 PolarHBondContact O-N 2.73Å; L242-I244 HydrophobicContact CD2-CD1 4.03Å; L242-I244 HydrophobicContact CD2-CG1 4.03Å; L242-I244 HydrophobicContact CG-CD1 4.46Å; L242-I244 HydrophobicContact CG-CG1 3.95Å; L242-E274 HydrophobicContact CD1-CB 4.26Å |
| 243 | F | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.2 | 163.2 | -65.4 | -92.7 | 0 | 0 | 0 | 110.1 | L228 S229 V230 W258 S272 L273 V275 Y281 V286 T301 V303 | L228-F243 HydrophobicContact CD1-CB 4.31Å; L228-F243 HydrophobicContact CD1-CD1 4.29Å; S229-F243 WeakPolarHBondContact O-CA 3.24Å; V230-F243 HydrophobicContact CB-CD1 4.07Å; V230-F243 HydrophobicContact CB-CE1 4.12Å; V230-F243 HydrophobicContact CG2-CD1 4.09Å; V230-F243 HydrophobicContact CG2-CE1 3.85Å; V230-F243 HydrophobicContact CG2-CZ 4.22Å; F243-W258 HydrophobicContact CB-CH2 3.49Å; F243-W258 VanDerWaalsContact CB-CH2 3.49Å; F243-W258 HydrophobicContact CB-CZ3 3.57Å; F243-W258 HydrophobicContact CD1-CZ3 4.48Å; F243-W258 HydrophobicContact CG-CH2 4.49Å; F243-W258 HydrophobicContact CG-CZ3 4.11Å; F243-S272 VanDerWaalsContact O-CA 3.3Å; F243-S272 WeakPolarHBondContact O-CA 3.42Å; F243-L273 HydrophobicContact CB-CB 4.31Å; F243-L273 HydrophobicContact CD2-CG 4.48Å; F243-L273 PolarHBondContact N-O 2.92Å; F243-L273 PolarHBondContact O-N 2.78Å; F243-V275 HydrophobicContact CD2-CG2 4.13Å; F243-V275 HydrophobicContact CE2-CG2 3.69Å; F243-Y281 HydrophobicContact CZ-CD1 4.5Å; F243-V286 HydrophobicContact CD1-CB 4.37Å; F243-V286 HydrophobicContact CD1-CG1 4.14Å; F243-V286 HydrophobicContact CD2-CG1 4.29Å; F243-V286 HydrophobicContact CE1-CB 3.73Å; F243-V286 HydrophobicContact CE1-CG1 3.98Å; F243-V286 HydrophobicContact CE1-CG2 4.15Å; F243-V286 HydrophobicContact CE2-CB 4.25Å; F243-V286 HydrophobicContact CE2-CG1 4.14Å; F243-V286 HydrophobicContact CE2-CG2 3.96Å; F243-V286 HydrophobicContact CG-CG1 4.28Å; F243-V286 HydrophobicContact CZ-CB 3.65Å; F243-V286 HydrophobicContact CZ-CG1 3.97Å; F243-V286 HydrophobicContact CZ-CG2 3.53Å; F243-T301 HydrophobicContact CD1-CG2 4.22Å; F243-T301 HydrophobicContact CE1-CG2 3.84Å; F243-V303 HydrophobicContact CE1-CG2 4.08Å; F243-V303 HydrophobicContact CE2-CG2 4.31Å; F243-V303 HydrophobicContact CZ-CG2 3.43Å; F243-V303 VanDerWaalsContact CZ-CG2 3.43Å |
| 244 | I | 97.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.1 | 176.5 | -51.6 | 177.6 | 0 | 0 | 0 | 108.4 | S229 L242 | S229-I244 PolarHBondContact N-O 2.82Å; S229-I244 PolarHBondContact O-N 2.92Å; S229-I244 PolarHBondContact OG-O 3.42Å; L242-I244 HydrophobicContact CD2-CD1 4.03Å; L242-I244 HydrophobicContact CD2-CG1 4.03Å; L242-I244 HydrophobicContact CG-CD1 4.46Å; L242-I244 HydrophobicContact CG-CG1 3.95Å |
| 245 | C | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 87 | -178.1 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | V226 T227 L228 Y256 W258 D271 C288 V290 | V226-C245 VanDerWaalsContact CG1-SG 3.59Å; T227-C245 CarbonylContact O-C 3.58Å; T227-C245 WeakPolarHBondContact O-CA 3.48Å; L228-C245 HydrophobicContact CD1-CB 4.18Å; C245-Y256 HydrophobicContact CB-CD1 4.48Å; C245-Y256 WeakPolarHBondContact O-CE1 3.24Å; C245-W258 HydrophobicContact CB-CH2 3.67Å; C245-W258 HydrophobicContact CB-CZ2 3.53Å; C245-D271 WeakPolarHBondContact CA-O 3.47Å; C245-D271 WeakPolarHBondContact CB-O 3.4Å; C245-D271 PolarHBondContact N-O 3.26Å; C245-C288 HydrophobicContact CB-CB 3.77Å; C245-C288 WeakPolarHBondContact CB-SG 3.41Å; C245-C288 WeakPolarHBondContact SG-CB 3.43Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 2.83Å; C245-V290 VanDerWaalsContact SG-CG2 3.54Å |
| 246 | S | 96.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 53 Ų | 53 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.6 | 179 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | T227 | T227-S246 PolarHBondContact N-O 2.78Å; T227-S246 PolarHBondContact O-N 2.75Å; T227-S246 PolarHBondContact OG1-O 3.08Å |
| 247 | A | 96.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P224 A225 V226 I253 V290 | P224-A247 HydrophobicContact CB-CB 4.36Å; A225-A247 WeakPolarHBondContact O-CA 3.26Å; V226-A247 HydrophobicContact CB-CB 4.43Å; V226-A247 HydrophobicContact CG2-CB 4Å; A247-I253 HydrophobicContact CB-CD1 3.97Å; A247-V290 HydrophobicContact CB-CB 4.44Å; A247-V290 HydrophobicContact CB-CG1 4.05Å; A247-V290 HydrophobicContact CB-CG2 4.21Å |
| 248 | S | 94.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.8 | 170.3 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | P224 A225 | P224-S248 CarbonylContact C-O 3.46Å; P224-S248 WeakPolarHBondContact CA-O 3.4Å; A225-S248 PolarHBondContact N-O 3Å; A225-S248 PolarHBondContact O-N 3.1Å |
| 249 | A | 94.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.4 | -173 | 0 | 0 | 0 | 0 | 0 | 111.6 | P224 P251 I253 | P224-A249 HydrophobicContact CB-CB 4.02Å; P224-A249 HydrophobicContact CG-CB 3.98Å; A249-P251 CarbonylContact C-O 3.57Å; A249-P251 WeakPolarHBondContact CB-O 3.44Å; A249-I253 HydrophobicContact CB-CG1 3.83Å |
| 250 | N | 94.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119.1 | 165.3 | -178.5 | 20.2 | 0 | 0 | 0 | 109.9 | S219 V220 Q221 H222 | S219-N250 PolarHBondContact OG-ND2 3.22Å; V220-N250 PolarHBondContact O-ND2 2.9Å; Q221-N250 CarbonylContact C-O 3.37Å; Q221-N250 WeakPolarHBondContact CA-O 3.49Å; Q221-N250 WeakPolarHBondContact CB-O 3.34Å; H222-N250 PolarHBondContact N-O 2.82Å |
| 251 | P | 93.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | S | Bend | cis | -66.1 | 178.4 | -2.4 | -22.8 | 38.3 | 0 | 0 | 0 | 114 | Q221 A249 N292 S293 | Q221-P251 HydrophobicContact CG-CG 4.31Å; A249-P251 CarbonylContact C-O 3.57Å; A249-P251 WeakPolarHBondContact CB-O 3.44Å; P251-N292 WeakPolarHBondContact O-CB 3.25Å; P251-N292 PolarHBondContact O-ND2 2.95Å; P251-S293 WeakPolarHBondContact CG-OG 3.43Å |
| 252 | E | 94.9 | Very high | 95.5 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | trans | -51.6 | 153.4 | 179.9 | -63.7 | 173.6 | -176.2 | 0 | 0 | 113.5 | T254 N292 | E252-T254 PolarHBondContact O-N 2.79Å; E252-N292 WeakPolarHBondContact O-CB 3.31Å | ||
| 253 | I | 96.5 | Very high | 95.4 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | trans | -67.3 | 126.6 | -176.7 | -65.4 | 169.4 | 0 | 0 | 0 | 110 | A247 A249 Y256 V290 S291 | A247-I253 HydrophobicContact CB-CD1 3.97Å; A249-I253 HydrophobicContact CB-CG1 3.83Å; I253-Y256 WeakPolarHBondContact CD1-OH 3.42Å; I253-Y256 HydrophobicContact CG2-CD2 4.28Å; I253-Y256 HydrophobicContact CG2-CE2 3.85Å; I253-V290 HydrophobicContact CB-CG1 4.44Å; I253-V290 HydrophobicContact CD1-CG1 3.92Å; I253-V290 HydrophobicContact CG1-CG1 4.02Å; I253-V290 HydrophobicContact CG2-CG1 3.59Å; I253-S291 CarbonylContact C-O 3.52Å; I253-S291 WeakPolarHBondContact CA-O 3.23Å | ||
| 254 | T | 95.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 57.3 Ų | 57.3 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | trans | -89.9 | -14.4 | 179.5 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | E252 S291 N292 | E252-T254 PolarHBondContact O-N 2.79Å; T254-S291 PolarHBondContact N-O 2.91Å; T254-S291 VanDerWaalsContact OG1-C 3.3Å; T254-S291 PolarHBondContact OG1-O 3.36Å; T254-S291 PolarHBondContact OG1-OG 3.18Å; T254-N292 WeakPolarHBondContact OG1-CA 3.44Å; T254-N292 PolarHBondContact OG1-N 3.39Å | ||
| 255 | G | 93.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | 156.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | S291 | G255-S291 PolarHBondContact N-OG 2.84Å; G255-S291 PolarHBondContact O-N 3.06Å; G255-S291 PolarHBondContact O-OG 2.94Å |
| 256 | Y | 96.2 | Very high | 94.6 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 148.6 | 173.4 | -62.7 | -98.2 | 0 | 0 | 0 | 110.1 | C245 I253 G270 D271 E289 V290 | C245-Y256 HydrophobicContact CB-CD1 4.48Å; C245-Y256 WeakPolarHBondContact O-CE1 3.24Å; I253-Y256 WeakPolarHBondContact CD1-OH 3.42Å; I253-Y256 HydrophobicContact CG2-CD2 4.28Å; I253-Y256 HydrophobicContact CG2-CE2 3.85Å; Y256-G270 WeakPolarHBondContact CB-O 3.3Å; Y256-D271 HydrophobicContact CE1-CB 4.01Å; Y256-D271 HydrophobicContact CE2-CB 4.08Å; Y256-E289 CarbonylContact C-O 3.34Å; Y256-E289 WeakPolarHBondContact CA-O 3.44Å; Y256-V290 HydrophobicContact CD1-CB 4.42Å; Y256-V290 HydrophobicContact CD1-CG1 4.17Å; Y256-V290 HydrophobicContact CD1-CG2 3.63Å; Y256-V290 HydrophobicContact CE1-CB 4.49Å; Y256-V290 HydrophobicContact CE1-CG1 3.94Å; Y256-V290 HydrophobicContact CE1-CG2 3.72Å |
| 257 | R | 96.1 | Very high | 94 | Very high | 142 Ų | 142 | 67.4 Ų | 67.4 | 54% | 0.536 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 120 | 174.8 | -59 | 176.6 | 69.1 | -155.7 | 7.4 | 109.8 | E289 | R257-E289 HydrophobicContact CB-CB 4.31Å; R257-E289 IonicContact CZ-OE2 3.17Å; R257-E289 PolarHBondContact N-O 2.86Å; R257-E289 IonicContact NE-OE2 2.62Å; R257-E289 IonicContact NH1-OE2 3.47Å; R257-E289 PolarHBondContact NH1-OE2 3.08Å; R257-E289 PolarHBondContact O-N 2.89Å |
| 258 | W | 97.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.015 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 150.4 | 178.2 | -67.8 | 85.4 | 0 | 0 | 0 | 112 | L228 F243 C245 P264 I265 A268 G270 L273 V286 S287 C288 | L228-W258 HydrophobicContact CD1-CH2 3.55Å; L228-W258 HydrophobicContact CD1-CZ3 3.67Å; F243-W258 HydrophobicContact CB-CH2 3.49Å; F243-W258 VanDerWaalsContact CB-CH2 3.49Å; F243-W258 HydrophobicContact CB-CZ3 3.57Å; F243-W258 HydrophobicContact CD1-CZ3 4.48Å; F243-W258 HydrophobicContact CG-CH2 4.49Å; F243-W258 HydrophobicContact CG-CZ3 4.11Å; C245-W258 HydrophobicContact CB-CH2 3.67Å; C245-W258 HydrophobicContact CB-CZ2 3.53Å; W258-P264 WeakPolarHBondContact O-CA 3.35Å; W258-I265 HydrophobicContact CB-CB 4.21Å; W258-I265 HydrophobicContact CB-CD1 4.36Å; W258-I265 PolarHBondContact O-N 3.07Å; W258-A268 HydrophobicContact CB-CB 3.95Å; W258-A268 HydrophobicContact CG-CB 3.96Å; W258-G270 PolarHBondContact NE1-O 3.41Å; W258-L273 HydrophobicContact CB-CD2 4.08Å; W258-L273 HydrophobicContact CD2-CB 3.88Å; W258-L273 HydrophobicContact CD2-CD2 3.75Å; W258-L273 HydrophobicContact CD2-CG 4.46Å; W258-L273 HydrophobicContact CE3-CB 4.08Å; W258-L273 HydrophobicContact CE3-CD2 3.57Å; W258-L273 HydrophobicContact CE3-CG 4.47Å; W258-L273 HydrophobicContact CG-CB 4.42Å; W258-L273 HydrophobicContact CG-CD2 3.99Å; W258-L273 HydrophobicContact CH2-CB 4.21Å; W258-L273 HydrophobicContact CZ2-CB 4.03Å; W258-L273 HydrophobicContact CZ3-CB 4.23Å; W258-L273 HydrophobicContact CZ3-CD2 4.24Å; W258-V286 HydrophobicContact CE3-CG1 3.78Å; W258-V286 HydrophobicContact CZ3-CG1 3.92Å; W258-S287 CarbonylContact C-O 3.57Å; W258-S287 WeakPolarHBondContact CA-O 3.39Å; W258-C288 HydrophobicContact CD2-CB 4.32Å; W258-C288 HydrophobicContact CE3-CB 4.06Å; W258-C288 HydrophobicContact CH2-CB 4.07Å; W258-C288 HydrophobicContact CZ2-CB 4.3Å; W258-C288 HydrophobicContact CZ3-CB 3.94Å |
| 259 | S | 96.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 68.3 Ų | 68.3 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.6 | 173.1 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | V263 V286 S287 | S259-V263 CarbonylContact C-O 3.56Å; S259-V263 WeakPolarHBondContact CA-O 3.4Å; S259-V263 WeakPolarHBondContact CB-O 3.27Å; S259-V286 CarbonylContact O-C 3.5Å; S259-V286 WeakPolarHBondContact O-CA 3.11Å; S259-S287 PolarHBondContact N-O 2.88Å; S259-S287 PolarHBondContact O-N 3.05Å; S259-S287 PolarHBondContact OG-O 2.04Å |
| 260 | K | 95.8 | Very high | 93.1 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 14% | 0.143 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.4 | 172.5 | 178.3 | -178.2 | 173.4 | -179.8 | 0 | 109.1 | G262 V263 I265 D278 S280 Y281 D284 P285 V286 | K260-G262 PolarHBondContact O-N 2.74Å; K260-G262 VanDerWaalsContact O-N 3.08Å; K260-V263 PolarHBondContact N-O 2.83Å; K260-V263 WeakPolarHBondContact O-CB 3.38Å; K260-V263 PolarHBondContact O-N 3.24Å; K260-I265 HydrophobicContact CB-CD1 4.28Å; K260-D278 IonicContact NZ-OD1 2.89Å; K260-S280 PolarHBondContact NZ-OG 2.81Å; K260-Y281 HydrophobicContact CD-CD1 4.13Å; K260-Y281 HydrophobicContact CD-CE1 3.75Å; K260-Y281 HydrophobicContact CD-CE2 4.4Å; K260-D284 HydrophobicContact CG-CB 4.25Å; K260-P285 WeakPolarHBondContact CA-O 3.4Å; K260-V286 HydrophobicContact CB-CG2 4.38Å; K260-V286 HydrophobicContact CG-CG2 4.28Å |
| 261 | G | 93.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 23.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P285 | G261-P285 PolarHBondContact N-O 2.54Š|
| 262 | G | 92.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -6.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K260 | K260-G262 PolarHBondContact O-N 2.74Å; K260-G262 VanDerWaalsContact O-N 3.08Å |
| 263 | V | 94.9 | Very high | 93.3 | Very high | 102 Ų | 102 | 64.2 Ų | 64.2 | 62% | 0.618 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.4 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | S259 K260 | S259-V263 CarbonylContact C-O 3.56Å; S259-V263 WeakPolarHBondContact CA-O 3.4Å; S259-V263 WeakPolarHBondContact CB-O 3.27Å; K260-V263 PolarHBondContact N-O 2.83Å; K260-V263 WeakPolarHBondContact O-CB 3.38Å; K260-V263 PolarHBondContact O-N 3.24Å |
| 264 | P | 94.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 140.9 | -177.8 | 29.7 | -35.1 | 0 | 0 | 0 | 112.7 | W258 | W258-P264 WeakPolarHBondContact O-CA 3.35Å |
| 265 | I | 94.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 89.1 | 177.5 | -56.8 | 171.1 | 0 | 0 | 0 | 107.6 | W258 K260 E267 A268 L273 | W258-I265 HydrophobicContact CB-CB 4.21Å; W258-I265 HydrophobicContact CB-CD1 4.36Å; W258-I265 PolarHBondContact O-N 3.07Å; K260-I265 HydrophobicContact CB-CD1 4.28Å; I265-E267 PolarHBondContact O-N 3.3Å; I265-E267 VanDerWaalsContact O-N 3.15Å; I265-A268 HydrophobicContact CB-CB 4.39Å; I265-A268 HydrophobicContact CG2-CB 3.84Å; I265-A268 PolarHBondContact O-N 3.04Å; I265-A268 VanDerWaalsContact O-N 3.12Å; I265-L273 HydrophobicContact CD1-CD2 3.9Å |
| 266 | S | 84.8 | Confident | 93.4 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.9 | -169.2 | 48.4 | 0 | 0 | 0 | 0 | 115.5 | N269 | S266-N269 PolarHBondContact O-ND2 3Š|
| 267 | E | 84 | Confident | 93.4 | Very high | 182 Ų | 182 | 64.4 Ų | 64.4 | 85% | 0.85 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -21.2 | 179.6 | -61.3 | -178.5 | 178.3 | 0 | 0 | 112.2 | I265 N269 | I265-E267 PolarHBondContact O-N 3.3Å; I265-E267 VanDerWaalsContact O-N 3.15Å; E267-N269 PolarHBondContact O-ND2 3.44Å |
| 268 | A | 87.3 | Confident | 93.3 | Very high | 13 Ų | 13 | 61 Ų | 61 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | trans | -98.7 | 104.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W258 I265 L273 | W258-A268 HydrophobicContact CB-CB 3.95Å; W258-A268 HydrophobicContact CG-CB 3.96Å; I265-A268 HydrophobicContact CB-CB 4.39Å; I265-A268 HydrophobicContact CG2-CB 3.84Å; I265-A268 PolarHBondContact O-N 3.04Å; I265-A268 VanDerWaalsContact O-N 3.12Å; A268-L273 HydrophobicContact CB-CD1 3.93Å | ||
| 269 | N | 85.8 | Confident | 93.1 | Very high | 102 Ų | 102 | 63.4 Ų | 63.4 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -127.7 | 8 | -177.1 | -59 | -90 | 0 | 0 | 0 | 113.1 | S266 E267 | S266-N269 PolarHBondContact O-ND2 3Å; E267-N269 PolarHBondContact O-ND2 3.44Å | ||
| 270 | G | 93.1 | Very high | 93 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -98.6 | -178.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y256 W258 S272 | Y256-G270 WeakPolarHBondContact CB-O 3.3Å; W258-G270 PolarHBondContact NE1-O 3.41Å; G270-S272 PolarHBondContact O-N 3.02Å |
| 271 | D | 95.1 | Very high | 93 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -69.3 | -8.4 | 175.5 | 67.3 | -15.1 | 0 | 0 | 0 | 114.1 | C245 Y256 | C245-D271 WeakPolarHBondContact CA-O 3.47Å; C245-D271 WeakPolarHBondContact CB-O 3.4Å; C245-D271 PolarHBondContact N-O 3.26Å; Y256-D271 HydrophobicContact CE1-CB 4.01Å; Y256-D271 HydrophobicContact CE2-CB 4.08Å |
| 272 | S | 95.8 | Very high | 93 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.1 | -168.8 | 46 | 0 | 0 | 0 | 0 | 112 | F243 G270 | F243-S272 VanDerWaalsContact O-CA 3.3Å; F243-S272 WeakPolarHBondContact O-CA 3.42Å; G270-S272 PolarHBondContact O-N 3.02Å |
| 273 | L | 96.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 110.1 | -176.5 | 168.8 | 59.8 | 0 | 0 | 0 | 109.8 | F243 W258 I265 A268 V275 V286 | F243-L273 HydrophobicContact CB-CB 4.31Å; F243-L273 HydrophobicContact CD2-CG 4.48Å; F243-L273 PolarHBondContact N-O 2.92Å; F243-L273 PolarHBondContact O-N 2.78Å; W258-L273 HydrophobicContact CB-CD2 4.08Å; W258-L273 HydrophobicContact CD2-CB 3.88Å; W258-L273 HydrophobicContact CD2-CD2 3.75Å; W258-L273 HydrophobicContact CD2-CG 4.46Å; W258-L273 HydrophobicContact CE3-CB 4.08Å; W258-L273 HydrophobicContact CE3-CD2 3.57Å; W258-L273 HydrophobicContact CE3-CG 4.47Å; W258-L273 HydrophobicContact CG-CB 4.42Å; W258-L273 HydrophobicContact CG-CD2 3.99Å; W258-L273 HydrophobicContact CH2-CB 4.21Å; W258-L273 HydrophobicContact CZ2-CB 4.03Å; W258-L273 HydrophobicContact CZ3-CB 4.23Å; W258-L273 HydrophobicContact CZ3-CD2 4.24Å; I265-L273 HydrophobicContact CD1-CD2 3.9Å; A268-L273 HydrophobicContact CB-CD1 3.93Å; L273-V275 HydrophobicContact CD1-CG1 3.73Å; L273-V275 HydrophobicContact CD2-CG1 4.36Å; L273-V275 HydrophobicContact CG-CG1 3.93Å; L273-V286 HydrophobicContact CD2-CG1 4.25Å |
| 274 | E | 95.6 | Very high | 93.1 | Very high | 115 Ų | 115 | 62.8 Ų | 62.8 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.8 | 168.2 | -166.5 | -162.8 | -133.5 | 0 | 0 | 109.7 | K240 V241 L242 | K240-E274 WeakPolarHBondContact CD-OE1 3.49Å; K240-E274 IonicContact NZ-OE1 2.75Å; K240-E274 PolarHBondContact NZ-OE1 2.85Å; K240-E274 IonicContact NZ-OE2 2.7Å; K240-E274 PolarHBondContact NZ-OE2 2.89Å; V241-E274 WeakPolarHBondContact O-CA 3.36Å; L242-E274 HydrophobicContact CD1-CB 4.26Å |
| 275 | V | 94.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.9 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | K240 V241 F243 L273 V277 Y281 | K240-V275 CarbonylContact C-O 3.57Å; K240-V275 WeakPolarHBondContact CA-O 3.4Å; V241-V275 PolarHBondContact N-O 2.88Å; V241-V275 PolarHBondContact O-N 2.67Å; F243-V275 HydrophobicContact CD2-CG2 4.13Å; F243-V275 HydrophobicContact CE2-CG2 3.69Å; L273-V275 HydrophobicContact CD1-CG1 3.73Å; L273-V275 HydrophobicContact CD2-CG1 4.36Å; L273-V275 HydrophobicContact CG-CG1 3.93Å; V275-V277 HydrophobicContact CG2-CG1 4.06Å; V275-Y281 HydrophobicContact CG2-CE1 3.84Å |
| 276 | T | 96.1 | Very high | 93.3 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.5 | 160.6 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | G238 A239 | G238-T276 WeakPolarHBondContact O-CG2 3.42Å; A239-T276 CarbonylContact O-C 3.54Å; A239-T276 WeakPolarHBondContact O-CA 3.23Å |
| 277 | V | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | trans | -96.7 | 136.7 | -175.5 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | V235 G238 A239 V241 V275 Y281 V303 V305 | V235-V277 HydrophobicContact CG2-CG2 3.53Å; G238-V277 PolarHBondContact N-O 2.83Å; A239-V277 PolarHBondContact O-N 2.84Å; V241-V277 HydrophobicContact CB-CG1 4.01Å; V241-V277 HydrophobicContact CG2-CB 4.42Å; V241-V277 HydrophobicContact CG2-CG1 3.64Å; V241-V277 HydrophobicContact CG2-CG2 3.88Å; V275-V277 HydrophobicContact CG2-CG1 4.06Å; V277-Y281 HydrophobicContact CB-CD2 3.77Å; V277-Y281 HydrophobicContact CB-CE2 4.25Å; V277-Y281 HydrophobicContact CB-CG 4.03Å; V277-Y281 HydrophobicContact CG1-CD1 4.12Å; V277-Y281 HydrophobicContact CG1-CD2 3.93Å; V277-Y281 HydrophobicContact CG1-CE1 4.42Å; V277-Y281 HydrophobicContact CG1-CE2 4.22Å; V277-Y281 HydrophobicContact CG1-CG 3.85Å; V277-V303 HydrophobicContact CG1-CG1 4.48Å; V277-V303 HydrophobicContact CG1-CG2 4.39Å; V277-V305 HydrophobicContact CB-CG2 4.21Å; V277-V305 HydrophobicContact CG2-CG1 4.31Å; V277-V305 HydrophobicContact CG2-CG2 4.04Å | ||
| 278 | D | 94.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | trans | -109.8 | 176.3 | 166.8 | 62.4 | 32.6 | 0 | 0 | 0 | 110.8 | K260 S280 Y281 | K260-D278 IonicContact NZ-OD1 2.89Å; D278-S280 PolarHBondContact O-N 2.89Å; D278-S280 VanDerWaalsContact O-N 3.07Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.17Å; D278-S280 PolarHBondContact OD1-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 3.34Å; D278-Y281 PolarHBondContact O-N 3.43Å; D278-Y281 WeakPolarHBondContact OD1-CD2 3.42Å | ||
| 279 | Y | 93.2 | Very high | 95 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -31.7 | 172.8 | 166.2 | -92.1 | 0 | 0 | 0 | 114.9 | E237 Y281 F282 T283 F307 R310 T333 | E237-Y279 WeakPolarHBondContact OE1-CB 3.31Å; E237-Y279 PolarHBondContact OE1-N 2.85Å; Y279-Y281 PolarHBondContact O-N 2.9Å; Y279-F282 VanDerWaalsContact O-CB 3.27Å; Y279-F282 WeakPolarHBondContact O-CB 3.2Å; Y279-F282 PolarHBondContact O-N 3.12Å; Y279-T283 HydrophobicContact CE1-CG2 4.07Å; Y279-F307 AromaticContact CD2-CD1 3.94Å; Y279-F307 HydrophobicContact CD2-CD1 3.94Å; Y279-F307 AromaticContact CD2-CD2 3.79Å; Y279-F307 HydrophobicContact CD2-CD2 3.79Å; Y279-F307 AromaticContact CD2-CE1 3.76Å; Y279-F307 HydrophobicContact CD2-CE1 3.76Å; Y279-F307 AromaticContact CD2-CE2 3.59Å; Y279-F307 HydrophobicContact CD2-CE2 3.59Å; Y279-F307 AromaticContact CD2-CG 3.98Å; Y279-F307 HydrophobicContact CD2-CG 3.98Å; Y279-F307 AromaticContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CE2-CD2 4.21Å; Y279-F307 HydrophobicContact CE2-CE1 4.08Å; Y279-F307 AromaticContact CE2-CE2 3.56Å; Y279-F307 HydrophobicContact CE2-CE2 3.56Å; Y279-F307 AromaticContact CE2-CZ 3.51Å; Y279-F307 HydrophobicContact CE2-CZ 3.51Å; Y279-R310 VanDerWaalsContact CG-NH1 3.28Å; Y279-T333 HydrophobicContact CE2-CG2 4.26Å |
| 280 | S | 94.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.4 | -11.5 | -178.3 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | K260 D278 F282 T283 D284 | K260-S280 PolarHBondContact NZ-OG 2.81Å; D278-S280 PolarHBondContact O-N 2.89Å; D278-S280 VanDerWaalsContact O-N 3.07Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.17Å; D278-S280 PolarHBondContact OD1-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 3.34Å; S280-F282 VanDerWaalsContact C-N 3.27Å; S280-T283 PolarHBondContact O-N 3.15Å; S280-T283 PolarHBondContact O-OG1 2.85Å; S280-D284 WeakPolarHBondContact O-CA 3.49Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 2.85Å |
| 281 | Y | 95.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77.3 | -10.5 | 167.4 | -68.8 | -94.1 | 0 | 0 | 0 | 113.8 | F243 K260 V275 V277 D278 Y279 V286 V303 | F243-Y281 HydrophobicContact CZ-CD1 4.5Å; K260-Y281 HydrophobicContact CD-CD1 4.13Å; K260-Y281 HydrophobicContact CD-CE1 3.75Å; K260-Y281 HydrophobicContact CD-CE2 4.4Å; V275-Y281 HydrophobicContact CG2-CE1 3.84Å; V277-Y281 HydrophobicContact CB-CD2 3.77Å; V277-Y281 HydrophobicContact CB-CE2 4.25Å; V277-Y281 HydrophobicContact CB-CG 4.03Å; V277-Y281 HydrophobicContact CG1-CD1 4.12Å; V277-Y281 HydrophobicContact CG1-CD2 3.93Å; V277-Y281 HydrophobicContact CG1-CE1 4.42Å; V277-Y281 HydrophobicContact CG1-CE2 4.22Å; V277-Y281 HydrophobicContact CG1-CG 3.85Å; D278-Y281 PolarHBondContact O-N 3.43Å; D278-Y281 WeakPolarHBondContact OD1-CD2 3.42Å; Y279-Y281 PolarHBondContact O-N 2.9Å; Y281-V286 HydrophobicContact CD1-CG2 3.62Å; Y281-V286 HydrophobicContact CE1-CG2 3.67Å; Y281-V303 HydrophobicContact CD1-CG2 4.3Å; Y281-V303 PolarHBondContact O-N 2.92Å |
| 282 | F | 94.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 31% | 0.307 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -85.2 | -22.2 | 170.2 | -175.6 | -98.2 | 0 | 0 | 0 | 112.3 | Y279 S280 V305 F307 N335 | Y279-F282 VanDerWaalsContact O-CB 3.27Å; Y279-F282 WeakPolarHBondContact O-CB 3.2Å; Y279-F282 PolarHBondContact O-N 3.12Å; S280-F282 VanDerWaalsContact C-N 3.27Å; F282-V305 HydrophobicContact CB-CB 4.31Å; F282-V305 HydrophobicContact CB-CG2 4.47Å; F282-F307 HydrophobicContact CB-CE1 4.23Å; F282-F307 AromaticContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CZ 4.04Å; F282-F307 HydrophobicContact CD2-CE1 4.18Å; F282-F307 HydrophobicContact CE1-CE1 4.15Å; F282-F307 HydrophobicContact CE1-CZ 4.14Å; F282-F307 HydrophobicContact CE2-CE1 4.49Å; F282-F307 AromaticContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CZ-CE1 4.48Å; F282-N335 HydrophobicContact CE2-CB 4.05Å; F282-N335 WeakPolarHBondContact CE2-ND2 3.38Å; F282-N335 HydrophobicContact CZ-CB 4.24Å |
| 283 | T | 93.5 | Very high | 95.8 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 39% | 0.387 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -105.1 | -37.4 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | Y279 S280 | Y279-T283 HydrophobicContact CE1-CG2 4.07Å; S280-T283 PolarHBondContact O-N 3.15Å; S280-T283 PolarHBondContact O-OG1 2.85Å |
| 284 | D | 95.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -110.1 | 112 | -167.5 | -50 | -5.6 | 0 | 0 | 0 | 109.3 | K260 S280 | K260-D284 HydrophobicContact CG-CB 4.25Å; S280-D284 WeakPolarHBondContact O-CA 3.49Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 2.85Å |
| 285 | P | 96.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 31% | 0.305 | 22% | 0.22 | S | C | . | . | trans | -70.6 | 140.9 | -173.3 | 28.3 | -35 | 0 | 0 | 0 | 111.9 | K260 G261 T301 L302 | K260-P285 WeakPolarHBondContact CA-O 3.4Å; G261-P285 PolarHBondContact N-O 2.54Å; P285-T301 CarbonylContact C-O 3.16Å; P285-T301 VanDerWaalsContact CA-O 3.31Å; P285-T301 WeakPolarHBondContact CA-O 3.4Å; P285-L302 HydrophobicContact CB-CD2 4.04Å; P285-L302 HydrophobicContact CB-CG 4.32Å | ||
| 286 | V | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.9 | 167.7 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | F243 W258 S259 K260 L273 Y281 S300 T301 | F243-V286 HydrophobicContact CD1-CB 4.37Å; F243-V286 HydrophobicContact CD1-CG1 4.14Å; F243-V286 HydrophobicContact CD2-CG1 4.29Å; F243-V286 HydrophobicContact CE1-CB 3.73Å; F243-V286 HydrophobicContact CE1-CG1 3.98Å; F243-V286 HydrophobicContact CE1-CG2 4.15Å; F243-V286 HydrophobicContact CE2-CB 4.25Å; F243-V286 HydrophobicContact CE2-CG1 4.14Å; F243-V286 HydrophobicContact CE2-CG2 3.96Å; F243-V286 HydrophobicContact CG-CG1 4.28Å; F243-V286 HydrophobicContact CZ-CB 3.65Å; F243-V286 HydrophobicContact CZ-CG1 3.97Å; F243-V286 HydrophobicContact CZ-CG2 3.53Å; W258-V286 HydrophobicContact CE3-CG1 3.78Å; W258-V286 HydrophobicContact CZ3-CG1 3.92Å; S259-V286 CarbonylContact O-C 3.5Å; S259-V286 WeakPolarHBondContact O-CA 3.11Å; K260-V286 HydrophobicContact CB-CG2 4.38Å; K260-V286 HydrophobicContact CG-CG2 4.28Å; L273-V286 HydrophobicContact CD2-CG1 4.25Å; Y281-V286 HydrophobicContact CD1-CG2 3.62Å; Y281-V286 HydrophobicContact CE1-CG2 3.67Å; V286-S300 CarbonylContact O-C 3.58Å; V286-S300 VanDerWaalsContact O-CA 3.25Å; V286-S300 WeakPolarHBondContact O-CA 3.49Å; V286-T301 PolarHBondContact N-O 2.82Å; V286-T301 PolarHBondContact O-N 2.88Å |
| 287 | S | 97.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.7 | -173.9 | -35.7 | 0 | 0 | 0 | 0 | 110.8 | W258 S259 N298 V299 S300 | W258-S287 CarbonylContact C-O 3.57Å; W258-S287 WeakPolarHBondContact CA-O 3.39Å; S259-S287 PolarHBondContact N-O 2.88Å; S259-S287 PolarHBondContact O-N 3.05Å; S259-S287 PolarHBondContact OG-O 2.04Å; S287-N298 WeakPolarHBondContact CB-OD1 3.43Å; S287-V299 CarbonylContact C-O 3.57Å; S287-V299 VanDerWaalsContact CA-O 3.31Å; S287-V299 WeakPolarHBondContact CA-O 3.43Å; S287-S300 WeakPolarHBondContact OG-CB 3.4Å |
| 288 | C | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 115.5 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | L228 C245 W258 N298 V299 | L228-C288 HydrophobicContact CD1-CB 4.35Å; C245-C288 HydrophobicContact CB-CB 3.77Å; C245-C288 WeakPolarHBondContact CB-SG 3.41Å; C245-C288 WeakPolarHBondContact SG-CB 3.43Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 2.83Å; W258-C288 HydrophobicContact CD2-CB 4.32Å; W258-C288 HydrophobicContact CE3-CB 4.06Å; W258-C288 HydrophobicContact CH2-CB 4.07Å; W258-C288 HydrophobicContact CZ2-CB 4.3Å; W258-C288 HydrophobicContact CZ3-CB 3.94Å; C288-N298 WeakPolarHBondContact O-CA 3.02Å; C288-N298 PolarHBondContact O-OD1 3.49Å; C288-V299 PolarHBondContact N-O 2.88Å; C288-V299 PolarHBondContact O-N 2.89Å; C288-V299 VanDerWaalsContact O-N 3.07Å |
| 289 | E | 96.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.7 | 166.1 | 177.8 | -176.8 | -150.6 | 0 | 0 | 109.4 | Y256 R257 S296 T297 N298 | Y256-E289 CarbonylContact C-O 3.34Å; Y256-E289 WeakPolarHBondContact CA-O 3.44Å; R257-E289 HydrophobicContact CB-CB 4.31Å; R257-E289 IonicContact CZ-OE2 3.17Å; R257-E289 PolarHBondContact N-O 2.86Å; R257-E289 IonicContact NE-OE2 2.62Å; R257-E289 IonicContact NH1-OE2 3.47Å; R257-E289 PolarHBondContact NH1-OE2 3.08Å; R257-E289 PolarHBondContact O-N 2.89Å; E289-S296 VanDerWaalsContact OE1-CB 3.26Å; E289-S296 WeakPolarHBondContact OE1-CB 3.44Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; E289-T297 WeakPolarHBondContact CA-O 3.02Å; E289-N298 HydrophobicContact CB-CB 4.15Å; E289-N298 HydrophobicContact CG-CB 4.49Å |
| 290 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.9 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 109 | P224 V226 C245 A247 I253 Y256 S296 T297 | P224-V290 HydrophobicContact CB-CB 4.02Å; P224-V290 HydrophobicContact CB-CG1 3.86Å; P224-V290 HydrophobicContact CG-CB 4.34Å; P224-V290 HydrophobicContact CG-CG1 4.04Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.84Å; V226-V290 HydrophobicContact CG2-CB 3.66Å; V226-V290 HydrophobicContact CG2-CG2 3.54Å; C245-V290 VanDerWaalsContact SG-CG2 3.54Å; A247-V290 HydrophobicContact CB-CB 4.44Å; A247-V290 HydrophobicContact CB-CG1 4.05Å; A247-V290 HydrophobicContact CB-CG2 4.21Å; I253-V290 HydrophobicContact CB-CG1 4.44Å; I253-V290 HydrophobicContact CD1-CG1 3.92Å; I253-V290 HydrophobicContact CG1-CG1 4.02Å; I253-V290 HydrophobicContact CG2-CG1 3.59Å; Y256-V290 HydrophobicContact CD1-CB 4.42Å; Y256-V290 HydrophobicContact CD1-CG1 4.17Å; Y256-V290 HydrophobicContact CD1-CG2 3.63Å; Y256-V290 HydrophobicContact CE1-CB 4.49Å; Y256-V290 HydrophobicContact CE1-CG1 3.94Å; Y256-V290 HydrophobicContact CE1-CG2 3.72Å; V290-S296 CarbonylContact O-C 3.58Å; V290-S296 WeakPolarHBondContact O-CA 3.47Å; V290-S296 VanDerWaalsContact O-CB 3.27Å; V290-S296 WeakPolarHBondContact O-CB 3.21Å; V290-T297 PolarHBondContact N-O 2.98Å; V290-T297 PolarHBondContact O-N 2.89Å |
| 291 | S | 96.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.2 | -175.4 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | I253 T254 G255 | I253-S291 CarbonylContact C-O 3.52Å; I253-S291 WeakPolarHBondContact CA-O 3.23Å; T254-S291 PolarHBondContact N-O 2.91Å; T254-S291 VanDerWaalsContact OG1-C 3.3Å; T254-S291 PolarHBondContact OG1-O 3.36Å; T254-S291 PolarHBondContact OG1-OG 3.18Å; G255-S291 PolarHBondContact N-OG 2.84Å; G255-S291 PolarHBondContact O-N 3.06Å; G255-S291 PolarHBondContact O-OG 2.94Å |
| 292 | N | 96.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -140.1 | -174.8 | 159.3 | 77.2 | -4.4 | 0 | 0 | 0 | 110.4 | H222 P224 P251 E252 T254 V294 G295 | H222-N292 PolarHBondContact O-ND2 3.33Å; P224-N292 HydrophobicContact CG-CB 4.21Å; P251-N292 WeakPolarHBondContact O-CB 3.25Å; P251-N292 PolarHBondContact O-ND2 2.95Å; E252-N292 WeakPolarHBondContact O-CB 3.31Å; T254-N292 WeakPolarHBondContact OG1-CA 3.44Å; T254-N292 PolarHBondContact OG1-N 3.39Å; N292-V294 PolarHBondContact O-N 2.89Å; N292-V294 VanDerWaalsContact O-N 3.09Å; N292-V294 WeakPolarHBondContact OD1-CA 3.37Å; N292-V294 VanDerWaalsContact OD1-CB 3.3Å; N292-V294 WeakPolarHBondContact OD1-CB 3.15Å; N292-V294 PolarHBondContact OD1-N 3.32Å; N292-G295 PolarHBondContact N-O 2.77Å; N292-G295 PolarHBondContact O-N 3.07Å; N292-G295 PolarHBondContact OD1-N 2.8Å; N292-G295 VanDerWaalsContact OD1-N 3.16Å; N292-G295 PolarHBondContact OD1-O 2.99Å | ||
| 293 | S | 95.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70.3 | 0.8 | 179.2 | 68 | 0 | 0 | 0 | 0 | 115.4 | P251 | P251-S293 WeakPolarHBondContact CG-OG 3.43Š|
| 294 | V | 93.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 24% | 0.242 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -101.8 | -38.1 | 177 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | Q221 N292 | Q221-V294 HydrophobicContact CB-CG2 3.91Å; N292-V294 PolarHBondContact O-N 2.89Å; N292-V294 VanDerWaalsContact O-N 3.09Å; N292-V294 WeakPolarHBondContact OD1-CA 3.37Å; N292-V294 VanDerWaalsContact OD1-CB 3.3Å; N292-V294 WeakPolarHBondContact OD1-CB 3.15Å; N292-V294 PolarHBondContact OD1-N 3.32Å |
| 295 | G | 94.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | trans | 174.6 | -170 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N292 | N292-G295 PolarHBondContact N-O 2.77Å; N292-G295 PolarHBondContact O-N 3.07Å; N292-G295 PolarHBondContact OD1-N 2.8Å; N292-G295 VanDerWaalsContact OD1-N 3.16Å; N292-G295 PolarHBondContact OD1-O 2.99Å | ||
| 296 | S | 96.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 166 | 170.2 | 65 | 0 | 0 | 0 | 0 | 111.6 | E289 V290 | E289-S296 VanDerWaalsContact OE1-CB 3.26Å; E289-S296 WeakPolarHBondContact OE1-CB 3.44Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; V290-S296 CarbonylContact O-C 3.58Å; V290-S296 WeakPolarHBondContact O-CA 3.47Å; V290-S296 VanDerWaalsContact O-CB 3.27Å; V290-S296 WeakPolarHBondContact O-CB 3.21Å |
| 297 | T | 97.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 137.5 | 173.8 | -75.4 | 0 | 0 | 0 | 0 | 108.5 | P224 V226 E289 V290 | P224-T297 WeakPolarHBondContact O-CB 3.4Å; P224-T297 PolarHBondContact O-OG1 2.9Å; V226-T297 HydrophobicContact CB-CG2 4.15Å; V226-T297 HydrophobicContact CG2-CG2 3.81Å; E289-T297 WeakPolarHBondContact CA-O 3.02Å; V290-T297 PolarHBondContact N-O 2.98Å; V290-T297 PolarHBondContact O-N 2.89Å |
| 298 | N | 97 | Very high | 96.3 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.7 | -173.2 | -174.4 | -2.9 | 0 | 0 | 0 | 109.7 | S287 C288 E289 | S287-N298 WeakPolarHBondContact CB-OD1 3.43Å; C288-N298 WeakPolarHBondContact O-CA 3.02Å; C288-N298 PolarHBondContact O-OD1 3.49Å; E289-N298 HydrophobicContact CB-CB 4.15Å; E289-N298 HydrophobicContact CG-CB 4.49Å |
| 299 | V | 97.7 | Very high | 96.3 | Very high | 49 Ų | 49 | 40 Ų | 40 | 30% | 0.297 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.1 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | V226 L228 S287 C288 | V226-V299 HydrophobicContact CB-CG2 3.83Å; V226-V299 HydrophobicContact CG1-CB 4.2Å; V226-V299 HydrophobicContact CG1-CG2 3.96Å; L228-V299 HydrophobicContact CB-CB 4.34Å; L228-V299 HydrophobicContact CB-CG1 3.85Å; L228-V299 WeakPolarHBondContact CD2-O 3.21Å; S287-V299 CarbonylContact C-O 3.57Å; S287-V299 VanDerWaalsContact CA-O 3.31Å; S287-V299 WeakPolarHBondContact CA-O 3.43Å; C288-V299 PolarHBondContact N-O 2.88Å; C288-V299 PolarHBondContact O-N 2.89Å; C288-V299 VanDerWaalsContact O-N 3.07Å |
| 300 | S | 97.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 49% | 0.49 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.9 | -176.7 | 67 | 0 | 0 | 0 | 0 | 113.1 | V286 S287 | V286-S300 CarbonylContact O-C 3.58Å; V286-S300 VanDerWaalsContact O-CA 3.25Å; V286-S300 WeakPolarHBondContact O-CA 3.49Å; S287-S300 WeakPolarHBondContact OG-CB 3.4Å |
| 301 | T | 95.9 | Very high | 96 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.7 | 176.8 | -166 | 0 | 0 | 0 | 0 | 111.5 | L228 F243 P285 V286 | L228-T301 HydrophobicContact CD2-CG2 3.82Å; L228-T301 HydrophobicContact CG-CG2 4.01Å; F243-T301 HydrophobicContact CD1-CG2 4.22Å; F243-T301 HydrophobicContact CE1-CG2 3.84Å; P285-T301 CarbonylContact C-O 3.16Å; P285-T301 VanDerWaalsContact CA-O 3.31Å; P285-T301 WeakPolarHBondContact CA-O 3.4Å; V286-T301 PolarHBondContact N-O 2.82Å; V286-T301 PolarHBondContact O-N 2.88Å |
| 302 | L | 94.9 | Very high | 96 | Very high | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | trans | -96.6 | 167.6 | 168.1 | -69.2 | 166.2 | 0 | 0 | 0 | 110.4 | P285 | P285-L302 HydrophobicContact CB-CD2 4.04Å; P285-L302 HydrophobicContact CB-CG 4.32Å | ||
| 303 | V | 95.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | trans | -107.2 | 138.1 | 170.7 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | V230 V235 V241 F243 V277 Y281 V305 | V230-V303 HydrophobicContact CG2-CG2 4.22Å; V235-V303 HydrophobicContact CG2-CG1 4.09Å; V241-V303 HydrophobicContact CG2-CG1 4.35Å; F243-V303 HydrophobicContact CE1-CG2 4.08Å; F243-V303 HydrophobicContact CE2-CG2 4.31Å; F243-V303 HydrophobicContact CZ-CG2 3.43Å; F243-V303 VanDerWaalsContact CZ-CG2 3.43Å; V277-V303 HydrophobicContact CG1-CG1 4.48Å; V277-V303 HydrophobicContact CG1-CG2 4.39Å; Y281-V303 HydrophobicContact CD1-CG2 4.3Å; Y281-V303 PolarHBondContact O-N 2.92Å; V303-V305 HydrophobicContact CB-CG2 3.79Å; V303-V305 HydrophobicContact CG1-CG2 3.8Å; V303-V305 PolarHBondContact O-N 3.33Å | ||
| 304 | D | 95.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 52 Ų | 52 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 73.3 | 172 | -178.2 | 28.5 | 0 | 0 | 0 | 110 | Q233 T234 V235 N335 | Q233-D304 PolarHBondContact O-N 2.95Å; T234-D304 WeakPolarHBondContact CA-O 3.38Å; T234-D304 WeakPolarHBondContact CB-OD2 3.47Å; T234-D304 HydrophobicContact CG2-CB 4.4Å; T234-D304 WeakPolarHBondContact CG2-OD2 3.39Å; T234-D304 PolarHBondContact OG1-OD2 2.84Å; V235-D304 PolarHBondContact N-O 2.88Å; V235-D304 VanDerWaalsContact N-O 3.07Å; D304-N335 PolarHBondContact OD1-ND2 2.83Å |
| 305 | V | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.3 | 178.4 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | V235 E237 V277 F282 V303 F307 N335 | V235-V305 CarbonylContact O-C 3.59Å; V235-V305 WeakPolarHBondContact O-CA 3.34Å; E237-V305 HydrophobicContact CB-CG1 4Å; V277-V305 HydrophobicContact CB-CG2 4.21Å; V277-V305 HydrophobicContact CG2-CG1 4.31Å; V277-V305 HydrophobicContact CG2-CG2 4.04Å; F282-V305 HydrophobicContact CB-CB 4.31Å; F282-V305 HydrophobicContact CB-CG2 4.47Å; V303-V305 HydrophobicContact CB-CG2 3.79Å; V303-V305 HydrophobicContact CG1-CG2 3.8Å; V303-V305 PolarHBondContact O-N 3.33Å; V305-F307 VanDerWaalsContact O-CD1 3.23Å; V305-F307 WeakPolarHBondContact O-CD1 3.27Å; V305-N335 WeakPolarHBondContact O-CB 3.37Å; V305-N335 PolarHBondContact O-ND2 3.46Å |
| 306 | Q | 96.4 | Very high | 96 | Very high | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129 | 173.9 | -61.5 | -176.5 | -4.9 | 0 | 0 | 110.5 | T234 V235 T236 E237 N335 I379 | T234-Q306 HydrophobicContact CG2-CG 4.09Å; V235-Q306 PolarHBondContact O-N 3.3Å; T236-Q306 HydrophobicContact CG2-CB 4.43Å; E237-Q306 PolarHBondContact N-O 2.66Å; Q306-N335 CarbonylContact C-O 3.51Å; Q306-N335 WeakPolarHBondContact CA-O 3.19Å; Q306-N335 WeakPolarHBondContact CB-O 3.13Å; Q306-I379 HydrophobicContact CB-CD1 4.21Å |
| 307 | F | 96.4 | Very high | 96 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148.7 | -176.1 | 59.3 | -87.8 | 0 | 0 | 0 | 111.1 | E237 Y279 F282 V305 R310 T333 N335 | E237-F307 HydrophobicContact CB-CB 4.38Å; Y279-F307 AromaticContact CD2-CD1 3.94Å; Y279-F307 HydrophobicContact CD2-CD1 3.94Å; Y279-F307 AromaticContact CD2-CD2 3.79Å; Y279-F307 HydrophobicContact CD2-CD2 3.79Å; Y279-F307 AromaticContact CD2-CE1 3.76Å; Y279-F307 HydrophobicContact CD2-CE1 3.76Å; Y279-F307 AromaticContact CD2-CE2 3.59Å; Y279-F307 HydrophobicContact CD2-CE2 3.59Å; Y279-F307 AromaticContact CD2-CG 3.98Å; Y279-F307 HydrophobicContact CD2-CG 3.98Å; Y279-F307 AromaticContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CE2-CD2 4.21Å; Y279-F307 HydrophobicContact CE2-CE1 4.08Å; Y279-F307 AromaticContact CE2-CE2 3.56Å; Y279-F307 HydrophobicContact CE2-CE2 3.56Å; Y279-F307 AromaticContact CE2-CZ 3.51Å; Y279-F307 HydrophobicContact CE2-CZ 3.51Å; F282-F307 HydrophobicContact CB-CE1 4.23Å; F282-F307 AromaticContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CZ 4.04Å; F282-F307 HydrophobicContact CD2-CE1 4.18Å; F282-F307 HydrophobicContact CE1-CE1 4.15Å; F282-F307 HydrophobicContact CE1-CZ 4.14Å; F282-F307 HydrophobicContact CE2-CE1 4.49Å; F282-F307 AromaticContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CZ-CE1 4.48Å; V305-F307 VanDerWaalsContact O-CD1 3.23Å; V305-F307 WeakPolarHBondContact O-CD1 3.27Å; F307-R310 HydrophobicContact CD2-CG 4.21Å; F307-T333 HydrophobicContact CE2-CG2 4.22Å; F307-N335 HydrophobicContact CD1-CB 3.98Å; F307-N335 HydrophobicContact CE1-CB 3.53Å; F307-N335 HydrophobicContact CZ-CB 4Å; F307-N335 PolarHBondContact N-O 3.43Å; F307-N335 PolarHBondContact O-N 2.82Å |
| 308 | G | 96.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R310 | G308-R310 PolarHBondContact O-N 3.5Å |
| 309 | P | 96.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 123.2 | -174 | -13.1 | 22.4 | 0 | 0 | 0 | 112.7 | W332 T333 A374 V376 A382 | P309-W332 HydrophobicContact CB-CD2 4.41Å; P309-W332 HydrophobicContact CB-CE3 3.76Å; P309-W332 HydrophobicContact CB-CZ3 4.26Å; P309-T333 CarbonylContact C-O 3.1Å; P309-T333 WeakPolarHBondContact CA-O 3.33Å; P309-A374 HydrophobicContact CB-CB 3.72Å; P309-A374 HydrophobicContact CG-CB 4.14Å; P309-A374 WeakPolarHBondContact CG-O 3.47Å; P309-V376 HydrophobicContact CB-CG2 4.5Å; P309-V376 HydrophobicContact CG-CB 4.45Å; P309-V376 HydrophobicContact CG-CG2 3.91Å; P309-A382 HydrophobicContact CB-CB 4.05Å; P309-A382 HydrophobicContact CG-CB 4.24Å |
| 310 | R | 94.8 | Very high | 95.7 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.1 | 174.8 | -68.3 | 178.3 | 173.7 | -132.9 | -4.4 | 110.2 | E237 Y279 F307 G308 W332 T333 | E237-R310 IonicContact OE1-CZ 3.72Å; E237-R310 IonicContact OE1-NH2 2.72Å; E237-R310 PolarHBondContact OE1-NH2 3.18Å; E237-R310 IonicContact OE2-CZ 3.66Å; E237-R310 IonicContact OE2-NE 2.98Å; E237-R310 IonicContact OE2-NH2 3.76Å; E237-R310 PolarHBondContact OE2-NH2 2.86Å; Y279-R310 VanDerWaalsContact CG-NH1 3.28Å; F307-R310 HydrophobicContact CD2-CG 4.21Å; G308-R310 PolarHBondContact O-N 3.5Å; R310-W332 CarbonylContact O-C 3.58Å; R310-W332 VanDerWaalsContact O-CA 3.24Å; R310-W332 WeakPolarHBondContact O-CA 3.5Å; R310-T333 HydrophobicContact CB-CG2 3.93Å; R310-T333 PolarHBondContact N-O 3.02Å; R310-T333 PolarHBondContact O-N 3.15Å |
| 311 | L | 95.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.2 | -175.6 | -170.4 | 69.2 | 0 | 0 | 0 | 110.8 | S313 E314 W332 R384 | L311-S313 WeakPolarHBondContact CD1-O 3.39Å; L311-E314 HydrophobicContact CD2-CB 3.78Å; L311-E314 HydrophobicContact CD2-CG 3.92Å; L311-W332 HydrophobicContact CB-CD2 4.5Å; L311-W332 HydrophobicContact CB-CE3 4.01Å; L311-W332 HydrophobicContact CB-CH2 4.36Å; L311-W332 HydrophobicContact CB-CZ3 3.93Å; L311-W332 HydrophobicContact CD1-CD2 3.85Å; L311-W332 HydrophobicContact CD1-CE3 4.18Å; L311-W332 HydrophobicContact CD1-CG 4.42Å; L311-W332 HydrophobicContact CD1-CH2 4.07Å; L311-W332 HydrophobicContact CD1-CZ2 3.74Å; L311-W332 HydrophobicContact CD1-CZ3 4.27Å; L311-R384 HydrophobicContact CD1-CG 4.28Å; L311-R384 HydrophobicContact CD2-CG 3.92Å |
| 312 | L | 94.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 60% | 0.602 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -32.6 | 174.7 | -66.8 | -177.8 | 0 | 0 | 0 | 112.8 | A331 T333 | L312-A331 HydrophobicContact CB-CB 4.14Å; L312-A331 PolarHBondContact N-O 2.9Å; L312-T333 HydrophobicContact CD1-CG2 4.28Å; L312-T333 HydrophobicContact CD2-CG2 3.78Å; L312-T333 HydrophobicContact CG-CG2 3.94Å |
| 313 | S | 94.7 | Very high | 95.3 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 120.4 | 178.8 | -169.9 | 0 | 0 | 0 | 0 | 109.6 | L311 C330 A331 | L311-S313 WeakPolarHBondContact CD1-O 3.39Å; S313-C330 WeakPolarHBondContact O-CA 3.44Å; S313-A331 PolarHBondContact N-O 2.9Å; S313-A331 VanDerWaalsContact N-O 3.1Å; S313-A331 PolarHBondContact O-N 3.27Å |
| 314 | E | 94.3 | Very high | 95.3 | Very high | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | trans | -86.4 | 131 | -176.4 | -169 | 160.2 | -119 | 0 | 0 | 111.2 | L311 R384 | L311-E314 HydrophobicContact CD2-CB 3.78Å; L311-E314 HydrophobicContact CD2-CG 3.92Å; E314-R384 WeakPolarHBondContact OE1-CD 3.2Å; E314-R384 IonicContact OE1-CZ 3.61Å; E314-R384 IonicContact OE1-NE 3.78Å; E314-R384 PolarHBondContact OE1-NE 2.9Å; E314-R384 IonicContact OE1-NH2 3.74Å | ||
| 315 | P | 95.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | trans | -68.8 | 134.8 | 177.6 | 29.6 | -35.4 | 0 | 0 | 0 | 111.1 | T329 C330 W342 R384 V386 | P315-T329 VanDerWaalsContact CA-O 3.26Å; P315-T329 WeakPolarHBondContact CA-O 3.36Å; P315-C330 HydrophobicContact CB-CB 4.18Å; P315-C330 HydrophobicContact CG-CB 4.15Å; P315-W342 HydrophobicContact CB-CH2 4.02Å; P315-R384 HydrophobicContact CG-CB 4.18Å; P315-V386 HydrophobicContact CB-CB 3.87Å; P315-V386 HydrophobicContact CB-CG1 4.03Å; P315-V386 HydrophobicContact CB-CG2 4.05Å; P315-V386 HydrophobicContact CG-CB 4.08Å; P315-V386 HydrophobicContact CG-CG1 4.43Å | ||
| 316 | K | 96.1 | Very high | 95.2 | Very high | 167 Ų | 167 | 63.8 Ų | 63.8 | 73% | 0.726 | 35% | 0.347 | S | S | * | . | trans | -104.6 | 136.4 | -175.1 | -62.4 | -175.2 | -179.8 | -178.2 | 0 | 111 | F328 V386 | K316-F328 WeakPolarHBondContact O-CD1 3.26Å; K316-F328 WeakPolarHBondContact O-CE1 3.42Å; K316-V386 VanDerWaalsContact O-CG2 3.26Å; K316-V386 WeakPolarHBondContact O-CG2 3.36Å | ||
| 317 | P | 96.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | trans | -51.9 | 141.4 | 174.1 | -29.8 | 36.9 | 0 | 0 | 0 | 112.4 | V386 T387 | P317-V386 HydrophobicContact CG-CG2 4.45Å; P317-T387 WeakPolarHBondContact CA-O 3.25Å | ||
| 318 | M | 95.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.8 | -175.7 | -162 | -178.3 | -174.5 | 0 | 0 | 110.5 | V320 A326 F328 T387 L388 T389 | M318-V320 HydrophobicContact CB-CG2 4.49Å; M318-V320 HydrophobicContact CE-CG2 3.79Å; M318-V320 HydrophobicContact CG-CG2 3.66Å; M318-V320 HydrophobicContact SD-CG2 3.67Å; M318-A326 HydrophobicContact SD-CB 4.18Å; M318-F328 HydrophobicContact CB-CD1 4.48Å; M318-F328 HydrophobicContact CB-CE1 3.62Å; M318-F328 HydrophobicContact CB-CZ 4.07Å; M318-T387 PolarHBondContact N-O 3.45Å; M318-T387 VanDerWaalsContact N-O 3.07Å; M318-L388 HydrophobicContact CB-CD1 4.44Å; M318-T389 PolarHBondContact O-N 2.91Å |
| 319 | T | 94.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.8 | 170.7 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | T389 N391 | T319-T389 CarbonylContact C-O 3.54Å; T319-T389 VanDerWaalsContact CA-O 3.27Å; T319-T389 WeakPolarHBondContact CA-O 3.17Å; T319-T389 HydrophobicContact CG2-CG2 4.02Å; T319-N391 WeakPolarHBondContact CG2-ND2 3.13Å; T319-N391 WeakPolarHBondContact CG2-OD1 3.43Å |
| 320 | V | 95.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.6 | -170.8 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | M318 M324 A326 L388 T389 V390 N391 | M318-V320 HydrophobicContact CB-CG2 4.49Å; M318-V320 HydrophobicContact CE-CG2 3.79Å; M318-V320 HydrophobicContact CG-CG2 3.66Å; M318-V320 HydrophobicContact SD-CG2 3.67Å; V320-M324 HydrophobicContact CG1-CB 3.77Å; V320-A326 HydrophobicContact CG1-CB 4.49Å; V320-A326 HydrophobicContact CG2-CB 3.9Å; V320-L388 HydrophobicContact CB-CD1 4.45Å; V320-L388 HydrophobicContact CG2-CD1 4Å; V320-T389 PolarHBondContact N-O 2.72Å; V320-V390 CarbonylContact O-C 3.52Å; V320-V390 WeakPolarHBondContact O-CA 3.32Å; V320-N391 PolarHBondContact O-N 2.91Å |
| 321 | D | 94 | Very high | 95.3 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 136.2 | 176.9 | -76 | 17.2 | 0 | 0 | 0 | 110.5 | G323 M324 N391 R478 F479 | D321-G323 PolarHBondContact O-N 2.67Å; D321-M324 HydrophobicContact CB-CG 4.26Å; D321-M324 VanDerWaalsContact O-CB 3.25Å; D321-M324 WeakPolarHBondContact O-CB 3.3Å; D321-M324 WeakPolarHBondContact O-CG 3.44Å; D321-M324 PolarHBondContact O-N 3.06Å; D321-M324 VanDerWaalsContact O-N 3.08Å; D321-N391 PolarHBondContact OD1-ND2 2.88Å; D321-R478 IonicContact OD1-NH1 3.95Å; D321-R478 IonicContact OD2-CZ 2.7Å; D321-R478 IonicContact OD2-NH1 3.92Å; D321-R478 PolarHBondContact OD2-NH1 2.95Å; D321-F479 HydrophobicContact CB-CE1 3.85Å; D321-F479 HydrophobicContact CB-CZ 4.15Å; D321-F479 WeakPolarHBondContact OD1-CZ 3.47Å; D321-F479 WeakPolarHBondContact OD2-CE1 3.44Å; D321-F479 VanDerWaalsContact OD2-CZ 3.24Å; D321-F479 WeakPolarHBondContact OD2-CZ 3.32Å |
| 322 | I | 92.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133 | -176.5 | -170.5 | 171 | 0 | 0 | 0 | 112.7 | V362 V390 N391 F479 | I322-V362 WeakPolarHBondContact CG1-O 3.23Å; I322-V390 HydrophobicContact CB-CG1 4.23Å; I322-N391 WeakPolarHBondContact CB-O 3.33Å; I322-N391 PolarHBondContact N-O 3.21Å; I322-F479 HydrophobicContact CG2-CD1 4.32Å |
| 323 | G | 92.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -2.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | D321 V362 | D321-G323 PolarHBondContact O-N 2.67Å; G323-V362 PolarHBondContact N-O 2.7Å |
| 324 | M | 95.4 | Very high | 95.4 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -89.8 | 162.6 | 170.8 | -60.4 | -67.3 | -67.4 | 0 | 0 | 111.8 | V320 D321 V362 | V320-M324 HydrophobicContact CG1-CB 3.77Å; D321-M324 HydrophobicContact CB-CG 4.26Å; D321-M324 VanDerWaalsContact O-CB 3.25Å; D321-M324 WeakPolarHBondContact O-CB 3.3Å; D321-M324 WeakPolarHBondContact O-CG 3.44Å; D321-M324 PolarHBondContact O-N 3.06Å; D321-M324 VanDerWaalsContact O-N 3.08Å; M324-V362 VanDerWaalsContact O-CB 3.31Å; M324-V362 WeakPolarHBondContact O-CB 3.15Å; M324-V362 VanDerWaalsContact O-CG2 3.31Å; M324-V362 WeakPolarHBondContact O-CG2 3.37Å; M324-V362 PolarHBondContact O-N 2.99Å |
| 325 | D | 96.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | trans | -84.1 | 143.3 | 174.2 | -72.8 | 8.4 | 0 | 0 | 0 | 111.3 | L359 K360 A361 | D325-L359 CarbonylContact C-O 3.51Å; D325-L359 WeakPolarHBondContact CA-O 3.37Å; D325-K360 WeakPolarHBondContact OD1-CA 3.48Å; D325-A361 PolarHBondContact OD1-N 2.96Å | ||
| 326 | A | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M318 V320 Q358 L359 V362 L388 | M318-A326 HydrophobicContact SD-CB 4.18Å; V320-A326 HydrophobicContact CG1-CB 4.49Å; V320-A326 HydrophobicContact CG2-CB 3.9Å; A326-Q358 WeakPolarHBondContact O-CA 3.41Å; A326-L359 HydrophobicContact CB-CB 4.45Å; A326-L359 PolarHBondContact N-O 2.76Å; A326-L359 PolarHBondContact O-N 2.92Å; A326-V362 HydrophobicContact CB-CG2 3.77Å; A326-L388 HydrophobicContact CB-CD1 4Å |
| 327 | A | 96.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 118.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | T356 L357 Q358 | A327-T356 HydrophobicContact CB-CG2 4.32Å; A327-L357 CarbonylContact C-O 3.59Å; A327-L357 VanDerWaalsContact CA-O 3.3Å; A327-L357 WeakPolarHBondContact CA-O 3.41Å; A327-Q358 HydrophobicContact CB-CG 4.25Å |
| 328 | F | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.2 | 170.8 | -64.8 | -66.6 | 0 | 0 | 0 | 110.3 | K316 M318 W342 T356 L357 Y370 V386 L388 | K316-F328 WeakPolarHBondContact O-CD1 3.26Å; K316-F328 WeakPolarHBondContact O-CE1 3.42Å; M318-F328 HydrophobicContact CB-CD1 4.48Å; M318-F328 HydrophobicContact CB-CE1 3.62Å; M318-F328 HydrophobicContact CB-CZ 4.07Å; F328-W342 HydrophobicContact CB-CH2 3.44Å; F328-W342 VanDerWaalsContact CB-CH2 3.44Å; F328-W342 HydrophobicContact CB-CZ2 4.16Å; F328-W342 HydrophobicContact CB-CZ3 3.87Å; F328-W342 HydrophobicContact CG-CH2 4.49Å; F328-W342 WeakPolarHBondContact O-CZ2 3.32Å; F328-T356 CarbonylContact O-C 3.59Å; F328-T356 VanDerWaalsContact O-CA 3.23Å; F328-T356 WeakPolarHBondContact O-CA 3.46Å; F328-T356 WeakPolarHBondContact O-CG2 3.25Å; F328-L357 HydrophobicContact CD2-CD2 4.47Å; F328-L357 PolarHBondContact N-O 2.85Å; F328-L357 PolarHBondContact O-N 2.89Å; F328-Y370 HydrophobicContact CE2-CD2 4.05Å; F328-Y370 HydrophobicContact CE2-CG 4.48Å; F328-V386 HydrophobicContact CB-CG1 4.36Å; F328-V386 HydrophobicContact CD1-CB 4.39Å; F328-V386 HydrophobicContact CD1-CG1 3.77Å; F328-V386 HydrophobicContact CD1-CG2 3.68Å; F328-V386 HydrophobicContact CD2-CG1 4.06Å; F328-V386 HydrophobicContact CE1-CB 4.41Å; F328-V386 HydrophobicContact CE1-CG1 3.97Å; F328-V386 HydrophobicContact CE1-CG2 3.54Å; F328-V386 HydrophobicContact CE2-CG1 4.25Å; F328-V386 HydrophobicContact CG-CG1 3.82Å; F328-V386 HydrophobicContact CZ-CG1 4.21Å; F328-V386 HydrophobicContact CZ-CG2 4.31Å; F328-L388 HydrophobicContact CE2-CB 3.92Å; F328-L388 HydrophobicContact CE2-CD1 4.2Å; F328-L388 HydrophobicContact CE2-CG 4.45Å; F328-L388 HydrophobicContact CZ-CB 3.73Å; F328-L388 HydrophobicContact CZ-CD1 3.89Å; F328-L388 HydrophobicContact CZ-CG 4.35Å |
| 329 | T | 96.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.1 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 110.1 | P315 N355 T356 | P315-T329 VanDerWaalsContact CA-O 3.26Å; P315-T329 WeakPolarHBondContact CA-O 3.36Å; T329-N355 CarbonylContact C-O 3.57Å; T329-N355 WeakPolarHBondContact CA-O 3.31Å; T329-T356 PolarHBondContact OG1-OG1 3.16Å |
| 330 | C | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -145.3 | 120.5 | -177 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | S313 P315 W332 W342 N355 C372 | S313-C330 WeakPolarHBondContact O-CA 3.44Å; P315-C330 HydrophobicContact CB-CB 4.18Å; P315-C330 HydrophobicContact CG-CB 4.15Å; C330-W332 PolarHBondContact SG-NE1 3.48Å; C330-W342 HydrophobicContact CB-CH2 3.57Å; C330-W342 HydrophobicContact CB-CZ2 3.28Å; C330-N355 PolarHBondContact N-O 3.08Å; C330-N355 CarbonylContact O-C 3.6Å; C330-N355 VanDerWaalsContact O-CA 3.25Å; C330-N355 WeakPolarHBondContact O-CA 3.45Å; C330-N355 WeakPolarHBondContact O-CB 3.39Å; C330-C372 HydrophobicContact CB-CB 3.71Å; C330-C372 WeakPolarHBondContact CB-SG 3.47Å; C330-C372 WeakPolarHBondContact SG-CB 3.41Å; C330-C372 CovalentContact SG-SG 2.03Å; C330-C372 PolarHBondContact SG-SG 3.26Å | ||
| 331 | A | 95.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L312 S313 | L312-A331 HydrophobicContact CB-CB 4.14Å; L312-A331 PolarHBondContact N-O 2.9Å; S313-A331 PolarHBondContact N-O 2.9Å; S313-A331 VanDerWaalsContact N-O 3.1Å; S313-A331 PolarHBondContact O-N 3.27Å |
| 332 | W | 96.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 10% | 0.095 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159 | 178.5 | -60 | 82.3 | 0 | 0 | 0 | 110.2 | P309 R310 L311 C330 L338 L340 C372 A374 A382 R384 | P309-W332 HydrophobicContact CB-CD2 4.41Å; P309-W332 HydrophobicContact CB-CE3 3.76Å; P309-W332 HydrophobicContact CB-CZ3 4.26Å; R310-W332 CarbonylContact O-C 3.58Å; R310-W332 VanDerWaalsContact O-CA 3.24Å; R310-W332 WeakPolarHBondContact O-CA 3.5Å; L311-W332 HydrophobicContact CB-CD2 4.5Å; L311-W332 HydrophobicContact CB-CE3 4.01Å; L311-W332 HydrophobicContact CB-CH2 4.36Å; L311-W332 HydrophobicContact CB-CZ3 3.93Å; L311-W332 HydrophobicContact CD1-CD2 3.85Å; L311-W332 HydrophobicContact CD1-CE3 4.18Å; L311-W332 HydrophobicContact CD1-CG 4.42Å; L311-W332 HydrophobicContact CD1-CH2 4.07Å; L311-W332 HydrophobicContact CD1-CZ2 3.74Å; L311-W332 HydrophobicContact CD1-CZ3 4.27Å; C330-W332 PolarHBondContact SG-NE1 3.48Å; W332-L338 HydrophobicContact CB-CD2 3.63Å; W332-L340 HydrophobicContact CB-CD2 4.36Å; W332-L340 VanDerWaalsContact CD1-CD2 3.5Å; W332-L340 HydrophobicContact CG-CD2 4.17Å; W332-C372 PolarHBondContact NE1-SG 2.87Å; W332-A374 HydrophobicContact CB-CB 4.05Å; W332-A374 HydrophobicContact CD2-CB 3.61Å; W332-A374 HydrophobicContact CE3-CB 4.19Å; W332-A374 HydrophobicContact CG-CB 3.55Å; W332-A382 HydrophobicContact CE3-CB 4.34Å; W332-A382 HydrophobicContact CH2-CB 3.6Å; W332-A382 HydrophobicContact CZ3-CB 3.46Å; W332-A382 VanDerWaalsContact CZ3-CB 3.46Å; W332-R384 HydrophobicContact CH2-CG 4.12Å; W332-R384 HydrophobicContact CZ2-CB 4.18Å; W332-R384 HydrophobicContact CZ2-CG 3.97Å |
| 333 | T | 95.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 156.8 | 165.7 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | Y279 F307 P309 R310 L312 | Y279-T333 HydrophobicContact CE2-CG2 4.26Å; F307-T333 HydrophobicContact CE2-CG2 4.22Å; P309-T333 CarbonylContact C-O 3.1Å; P309-T333 WeakPolarHBondContact CA-O 3.33Å; R310-T333 HydrophobicContact CB-CG2 3.93Å; R310-T333 PolarHBondContact N-O 3.02Å; R310-T333 PolarHBondContact O-N 3.15Å; L312-T333 HydrophobicContact CD1-CG2 4.28Å; L312-T333 HydrophobicContact CD2-CG2 3.78Å; L312-T333 HydrophobicContact CG-CG2 3.94Å |
| 334 | G | 95.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 150 | -174 | 0 | 0 | 0 | 0 | 0 | 110.4 | P336 | G334-P336 CarbonylContact C-O 3.55Å |
| 335 | N | 96.3 | Very high | 95.9 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 123.5 | 175.5 | -172.2 | 32.5 | 0 | 0 | 0 | 109.4 | F282 D304 V305 Q306 F307 | F282-N335 HydrophobicContact CE2-CB 4.05Å; F282-N335 WeakPolarHBondContact CE2-ND2 3.38Å; F282-N335 HydrophobicContact CZ-CB 4.24Å; D304-N335 PolarHBondContact OD1-ND2 2.83Å; V305-N335 WeakPolarHBondContact O-CB 3.37Å; V305-N335 PolarHBondContact O-ND2 3.46Å; Q306-N335 CarbonylContact C-O 3.51Å; Q306-N335 WeakPolarHBondContact CA-O 3.19Å; Q306-N335 WeakPolarHBondContact CB-O 3.13Å; F307-N335 HydrophobicContact CD1-CB 3.98Å; F307-N335 HydrophobicContact CE1-CB 3.53Å; F307-N335 HydrophobicContact CZ-CB 4Å; F307-N335 PolarHBondContact N-O 3.43Å; F307-N335 PolarHBondContact O-N 2.82Å |
| 336 | P | 95.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -57.5 | 168.7 | -1 | -26 | 37 | 0 | 0 | 0 | 115.2 | G334 L338 V376 | G334-P336 CarbonylContact C-O 3.55Å; P336-L338 PolarHBondContact O-N 3.05Å; P336-V376 WeakPolarHBondContact O-CG1 3.32Å |
| 337 | P | 94.9 | Very high | 95 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 69% | 0.688 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 131.5 | -179.1 | -29.2 | 36.3 | 0 | 0 | 0 | 113.4 | P377 | P337-P377 WeakPolarHBondContact O-CD 3.27Š|
| 338 | L | 96.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 159.3 | -176.9 | 65.7 | 83.6 | 0 | 0 | 0 | 113.1 | W332 P336 L340 I375 V376 | W332-L338 HydrophobicContact CB-CD2 3.63Å; P336-L338 PolarHBondContact O-N 3.05Å; L338-L340 HydrophobicContact CD1-CD2 3.53Å; L338-L340 HydrophobicContact CD1-CG 3.65Å; L338-I375 CarbonylContact C-O 3.5Å; L338-I375 WeakPolarHBondContact CA-O 3.41Å; L338-I375 WeakPolarHBondContact CB-O 3.48Å; L338-V376 HydrophobicContact CB-CG2 3.83Å |
| 339 | T | 96 | Very high | 94.4 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148 | 162.7 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | A374 I375 | T339-A374 WeakPolarHBondContact O-CA 3.38Å; T339-I375 PolarHBondContact N-O 2.87Å; T339-I375 PolarHBondContact O-N 2.97Å |
| 340 | L | 96.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.6 | 174.1 | -64.9 | 178.7 | 0 | 0 | 0 | 110.6 | W332 L338 N353 N355 K373 A374 | W332-L340 HydrophobicContact CB-CD2 4.36Å; W332-L340 VanDerWaalsContact CD1-CD2 3.5Å; W332-L340 HydrophobicContact CG-CD2 4.17Å; L338-L340 HydrophobicContact CD1-CD2 3.53Å; L338-L340 HydrophobicContact CD1-CG 3.65Å; L340-N353 WeakPolarHBondContact O-CA 3.43Å; L340-N355 HydrophobicContact CD1-CB 4.47Å; L340-N355 WeakPolarHBondContact CD1-OD1 3.46Å; L340-K373 WeakPolarHBondContact CA-O 3.36Å; L340-A374 HydrophobicContact CD2-CB 3.69Å |
| 341 | A | 96 | Very high | 94.3 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 123.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V350 K373 | A341-V350 HydrophobicContact CB-CG1 4.1Å; A341-V350 HydrophobicContact CB-CG2 4.14Å; A341-K373 PolarHBondContact N-O 3.21Å; A341-K373 PolarHBondContact O-N 2.8Å |
| 342 | W | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.7 | 165.2 | -73.2 | 91.7 | 0 | 0 | 0 | 109.7 | P315 F328 C330 V350 L351 S352 G354 L357 T371 C372 V386 | P315-W342 HydrophobicContact CB-CH2 4.02Å; F328-W342 HydrophobicContact CB-CH2 3.44Å; F328-W342 VanDerWaalsContact CB-CH2 3.44Å; F328-W342 HydrophobicContact CB-CZ2 4.16Å; F328-W342 HydrophobicContact CB-CZ3 3.87Å; F328-W342 HydrophobicContact CG-CH2 4.49Å; F328-W342 WeakPolarHBondContact O-CZ2 3.32Å; C330-W342 HydrophobicContact CB-CH2 3.57Å; C330-W342 HydrophobicContact CB-CZ2 3.28Å; W342-V350 CarbonylContact O-C 3.54Å; W342-V350 WeakPolarHBondContact O-CA 3.33Å; W342-L351 PolarHBondContact O-N 3.15Å; W342-S352 PolarHBondContact N-O 2.94Å; W342-G354 VanDerWaalsContact CD1-O 3.3Å; W342-G354 PolarHBondContact NE1-O 3.07Å; W342-L357 HydrophobicContact CB-CB 4.32Å; W342-L357 HydrophobicContact CB-CD1 4.45Å; W342-L357 HydrophobicContact CB-CD2 4.28Å; W342-L357 HydrophobicContact CD2-CB 3.58Å; W342-L357 HydrophobicContact CD2-CD2 4.24Å; W342-L357 HydrophobicContact CD2-CG 4.5Å; W342-L357 HydrophobicContact CE3-CB 3.95Å; W342-L357 HydrophobicContact CE3-CD2 3.93Å; W342-L357 HydrophobicContact CG-CB 3.78Å; W342-L357 HydrophobicContact CG-CD2 4.44Å; W342-L357 HydrophobicContact CZ2-CB 4.23Å; W342-L357 HydrophobicContact CZ3-CB 4.44Å; W342-T371 WeakPolarHBondContact CA-O 3.15Å; W342-C372 HydrophobicContact CD2-CB 4.15Å; W342-C372 HydrophobicContact CE3-CB 3.9Å; W342-C372 HydrophobicContact CH2-CB 3.9Å; W342-C372 HydrophobicContact CZ2-CB 4.16Å; W342-C372 HydrophobicContact CZ3-CB 3.76Å; W342-V386 HydrophobicContact CZ3-CG1 3.97Å |
| 343 | T | 96.9 | Very high | 94.2 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 161.9 | 171.1 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | V350 Y370 T371 | T343-V350 HydrophobicContact CG2-CG2 4.49Å; T343-Y370 CarbonylContact O-C 3.48Å; T343-Y370 WeakPolarHBondContact O-CA 3.22Å; T343-T371 PolarHBondContact N-O 3.44Å; T343-T371 PolarHBondContact O-N 3.28Å |
| 344 | K | 95.2 | Very high | 94.1 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.6 | 163.6 | -173.6 | 165.6 | -179.2 | 157.6 | 0 | 108.5 | G346 S347 L351 E365 D366 A367 Y370 | K344-G346 PolarHBondContact O-N 3.36Å; K344-S347 WeakPolarHBondContact O-CA 3.32Å; K344-S347 WeakPolarHBondContact O-CB 3.47Å; K344-S347 PolarHBondContact O-N 2.7Å; K344-L351 HydrophobicContact CB-CD1 4.2Å; K344-E365 PolarHBondContact NZ-O 3Å; K344-D366 PolarHBondContact NZ-O 3.36Å; K344-A367 WeakPolarHBondContact CE-O 3.47Å; K344-A367 PolarHBondContact NZ-O 2.98Å; K344-Y370 HydrophobicContact CB-CD1 4.13Å; K344-Y370 HydrophobicContact CB-CE1 3.99Å; K344-Y370 HydrophobicContact CD-CE1 4.18Å; K344-Y370 HydrophobicContact CG-CD1 4.43Å; K344-Y370 HydrophobicContact CG-CE1 4.17Å |
| 345 | H | 91.8 | Very high | 94.1 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 61% | 0.611 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 126.2 | -177.8 | 178 | -87.4 | 0 | 0 | 0 | 111.1 | T369 | H345-T369 HydrophobicContact CB-CG2 4.34Å; H345-T369 WeakPolarHBondContact CB-O 3.42Å; H345-T369 PolarHBondContact N-O 3.11Å |
| 346 | G | 83.1 | Confident | 94 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 88% | 0.876 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -1.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K344 | K344-G346 PolarHBondContact O-N 3.36Š|
| 347 | S | 90.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | trans | -114.6 | 139.3 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | K344 V349 | K344-S347 WeakPolarHBondContact O-CA 3.32Å; K344-S347 WeakPolarHBondContact O-CB 3.47Å; K344-S347 PolarHBondContact O-N 2.7Å; S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact OG-N 3.43Å | ||
| 348 | S | 87.9 | Confident | 94.1 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 82% | 0.818 | 38% | 0.378 | S | S | * | . | trans | -86.4 | -3.2 | 171.1 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | V350 | S348-V350 PolarHBondContact O-N 3.47Š| ||
| 349 | V | 92.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 61.4 Ų | 61.4 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | trans | -77.3 | 122.1 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | S347 L351 | S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact OG-N 3.43Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å | ||
| 350 | V | 94.7 | Very high | 94.1 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.1 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | A341 W342 T343 S348 S352 | A341-V350 HydrophobicContact CB-CG1 4.1Å; A341-V350 HydrophobicContact CB-CG2 4.14Å; W342-V350 CarbonylContact O-C 3.54Å; W342-V350 WeakPolarHBondContact O-CA 3.33Å; T343-V350 HydrophobicContact CG2-CG2 4.49Å; S348-V350 PolarHBondContact O-N 3.47Å; V350-S352 WeakPolarHBondContact CG1-O 3.36Å |
| 351 | L | 94.9 | Very high | 94 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 40% | 0.403 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -28 | -176.9 | -56.5 | 176.9 | 0 | 0 | 0 | 112.9 | W342 K344 V349 L357 Y370 | W342-L351 PolarHBondContact O-N 3.15Å; K344-L351 HydrophobicContact CB-CD1 4.2Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å; L351-L357 HydrophobicContact CB-CD1 3.66Å; L351-L357 HydrophobicContact CD1-CD2 4.43Å; L351-Y370 HydrophobicContact CD1-CD1 3.87Å; L351-Y370 HydrophobicContact CD1-CE1 3.55Å |
| 352 | S | 95.3 | Very high | 94 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 147.4 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | W342 V350 G354 T356 | W342-S352 PolarHBondContact N-O 2.94Å; V350-S352 WeakPolarHBondContact CG1-O 3.36Å; S352-G354 PolarHBondContact OG-N 3Å; S352-T356 PolarHBondContact OG-O 2.91Å |
| 353 | N | 94.6 | Very high | 93.8 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -111.7 | 9.6 | 174.5 | 66.5 | -24.3 | 0 | 0 | 0 | 113.2 | L340 | L340-N353 WeakPolarHBondContact O-CA 3.43Š|
| 354 | G | 94 | Very high | 93.3 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 26% | 0.258 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -111.6 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W342 S352 T356 | W342-G354 VanDerWaalsContact CD1-O 3.3Å; W342-G354 PolarHBondContact NE1-O 3.07Å; S352-G354 PolarHBondContact OG-N 3Å; G354-T356 PolarHBondContact O-N 3.42Å |
| 355 | N | 94.6 | Very high | 93 | Very high | 82 Ų | 82 | 75.1 Ų | 75.1 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -62.9 | -7.7 | 179.2 | -59.4 | 38.3 | 0 | 0 | 0 | 114.1 | T329 C330 L340 | T329-N355 CarbonylContact C-O 3.57Å; T329-N355 WeakPolarHBondContact CA-O 3.31Å; C330-N355 PolarHBondContact N-O 3.08Å; C330-N355 CarbonylContact O-C 3.6Å; C330-N355 VanDerWaalsContact O-CA 3.25Å; C330-N355 WeakPolarHBondContact O-CA 3.45Å; C330-N355 WeakPolarHBondContact O-CB 3.39Å; L340-N355 HydrophobicContact CD1-CB 4.47Å; L340-N355 WeakPolarHBondContact CD1-OD1 3.46Å |
| 356 | T | 95.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 31% | 0.307 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.7 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | A327 F328 T329 S352 G354 Q358 | A327-T356 HydrophobicContact CB-CG2 4.32Å; F328-T356 CarbonylContact O-C 3.59Å; F328-T356 VanDerWaalsContact O-CA 3.23Å; F328-T356 WeakPolarHBondContact O-CA 3.46Å; F328-T356 WeakPolarHBondContact O-CG2 3.25Å; T329-T356 PolarHBondContact OG1-OG1 3.16Å; S352-T356 PolarHBondContact OG-O 2.91Å; G354-T356 PolarHBondContact O-N 3.42Å; T356-Q358 HydrophobicContact CG2-CG 3.98Å |
| 357 | L | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.8 | 162.3 | 172.7 | 62.2 | 0 | 0 | 0 | 107.9 | A327 F328 W342 L351 L359 Y370 | A327-L357 CarbonylContact C-O 3.59Å; A327-L357 VanDerWaalsContact CA-O 3.3Å; A327-L357 WeakPolarHBondContact CA-O 3.41Å; F328-L357 HydrophobicContact CD2-CD2 4.47Å; F328-L357 PolarHBondContact N-O 2.85Å; F328-L357 PolarHBondContact O-N 2.89Å; W342-L357 HydrophobicContact CB-CB 4.32Å; W342-L357 HydrophobicContact CB-CD1 4.45Å; W342-L357 HydrophobicContact CB-CD2 4.28Å; W342-L357 HydrophobicContact CD2-CB 3.58Å; W342-L357 HydrophobicContact CD2-CD2 4.24Å; W342-L357 HydrophobicContact CD2-CG 4.5Å; W342-L357 HydrophobicContact CE3-CB 3.95Å; W342-L357 HydrophobicContact CE3-CD2 3.93Å; W342-L357 HydrophobicContact CG-CB 3.78Å; W342-L357 HydrophobicContact CG-CD2 4.44Å; W342-L357 HydrophobicContact CZ2-CB 4.23Å; W342-L357 HydrophobicContact CZ3-CB 4.44Å; L351-L357 HydrophobicContact CB-CD1 3.66Å; L351-L357 HydrophobicContact CD1-CD2 4.43Å; L357-L359 HydrophobicContact CD1-CD2 4.11Å; L357-L359 HydrophobicContact CD2-CD1 4.47Å; L357-L359 HydrophobicContact CD2-CD2 4.41Å; L357-L359 HydrophobicContact CD2-CG 4.45Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L357-L359 HydrophobicContact CG-CG 4.23Å; L357-Y370 HydrophobicContact CD2-CD1 3.49Å; L357-Y370 VanDerWaalsContact CD2-CD1 3.49Å; L357-Y370 HydrophobicContact CD2-CE1 3.95Å; L357-Y370 HydrophobicContact CD2-CG 4.14Å |
| 358 | Q | 96.5 | Very high | 93.6 | Very high | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.2 | 169.8 | -67.3 | -170.1 | -4 | 0 | 0 | 109.7 | A326 A327 T356 | A326-Q358 WeakPolarHBondContact O-CA 3.41Å; A327-Q358 HydrophobicContact CB-CG 4.25Å; T356-Q358 HydrophobicContact CG2-CG 3.98Å |
| 359 | L | 96.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.6 | 174.5 | -58.2 | 168.2 | 0 | 0 | 0 | 106.7 | D325 A326 L357 V362 Y370 L388 | D325-L359 CarbonylContact C-O 3.51Å; D325-L359 WeakPolarHBondContact CA-O 3.37Å; A326-L359 HydrophobicContact CB-CB 4.45Å; A326-L359 PolarHBondContact N-O 2.76Å; A326-L359 PolarHBondContact O-N 2.92Å; L357-L359 HydrophobicContact CD1-CD2 4.11Å; L357-L359 HydrophobicContact CD2-CD1 4.47Å; L357-L359 HydrophobicContact CD2-CD2 4.41Å; L357-L359 HydrophobicContact CD2-CG 4.45Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L357-L359 HydrophobicContact CG-CG 4.23Å; L359-V362 HydrophobicContact CB-CG2 3.77Å; L359-Y370 HydrophobicContact CD1-CE1 3.97Å; L359-Y370 HydrophobicContact CD1-CE2 4.1Å; L359-Y370 WeakPolarHBondContact CD1-OH 3.36Å; L359-Y370 HydrophobicContact CD2-CE1 4.37Å; L359-L388 HydrophobicContact CD1-CD2 3.67Å |
| 360 | K | 95.1 | Very high | 94.2 | Very high | 149 Ų | 149 | 59.9 Ų | 59.9 | 65% | 0.648 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -107.4 | 141.1 | -173.4 | -65.5 | -164.2 | 170.4 | -174 | 0 | 111.9 | D325 V362 | D325-K360 WeakPolarHBondContact OD1-CA 3.48Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 2.87Å |
| 361 | A | 94.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 47.5 | 50.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D325 T363 | D325-A361 PolarHBondContact OD1-N 2.96Å; A361-T363 PolarHBondContact O-N 3.42Å |
| 362 | V | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -51.5 | 132.2 | -167.4 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | I322 G323 M324 A326 L359 K360 D366 L388 V390 | I322-V362 WeakPolarHBondContact CG1-O 3.23Å; G323-V362 PolarHBondContact N-O 2.7Å; M324-V362 VanDerWaalsContact O-CB 3.31Å; M324-V362 WeakPolarHBondContact O-CB 3.15Å; M324-V362 VanDerWaalsContact O-CG2 3.31Å; M324-V362 WeakPolarHBondContact O-CG2 3.37Å; M324-V362 PolarHBondContact O-N 2.99Å; A326-V362 HydrophobicContact CB-CG2 3.77Å; L359-V362 HydrophobicContact CB-CG2 3.77Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 2.87Å; V362-D366 HydrophobicContact CG1-CB 3.86Å; V362-L388 HydrophobicContact CG1-CD2 3.96Å; V362-V390 HydrophobicContact CG1-CB 4.42Å; V362-V390 HydrophobicContact CG1-CG1 4.08Å; V362-V390 HydrophobicContact CG1-CG2 3.43Å; V362-V390 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 363 | T | 92.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -106.5 | 171.4 | -174.6 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | A361 E365 D366 | A361-T363 PolarHBondContact O-N 3.42Å; T363-E365 PolarHBondContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.49Å; T363-D366 WeakPolarHBondContact CB-OD2 3.16Å; T363-D366 PolarHBondContact N-OD2 2.88Å; T363-D366 WeakPolarHBondContact O-CB 3.45Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 2.77Å; T363-D366 PolarHBondContact OG1-OD2 2.88Å | ||
| 364 | Q | 87.5 | Confident | 94.6 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.3 | 178 | -162 | 64.2 | 73.7 | 0 | 0 | 113.2 | A367 V390 I395 | Q364-A367 WeakPolarHBondContact O-CB 3.33Å; Q364-V390 PolarHBondContact NE2-O 3.45Å; Q364-I395 HydrophobicContact CG-CD1 3.67Å; Q364-I395 HydrophobicContact CG-CG1 4.41Å |
| 365 | E | 88.9 | Confident | 94.7 | Very high | 166 Ų | 166 | 50.4 Ų | 50.4 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -16.5 | 175.9 | 55.9 | -179.9 | -166.3 | 0 | 0 | 113.3 | K344 T363 A367 | K344-E365 PolarHBondContact NZ-O 3Å; T363-E365 PolarHBondContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.49Å; E365-A367 VanDerWaalsContact C-N 3.31Å |
| 366 | D | 92.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -21.6 | 170 | -69.4 | -63.1 | 0 | 0 | 0 | 112.8 | K344 V362 T363 Y370 L388 | K344-D366 PolarHBondContact NZ-O 3.36Å; V362-D366 HydrophobicContact CG1-CB 3.86Å; T363-D366 WeakPolarHBondContact CB-OD2 3.16Å; T363-D366 PolarHBondContact N-OD2 2.88Å; T363-D366 WeakPolarHBondContact O-CB 3.45Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 2.77Å; T363-D366 PolarHBondContact OG1-OD2 2.88Å; D366-Y370 WeakPolarHBondContact O-CE2 3.01Å; D366-Y370 PolarHBondContact O-OH 2.75Å; D366-L388 HydrophobicContact CB-CD2 4.25Å |
| 367 | A | 91.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -55.3 | 145.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K344 Q364 E365 L388 V390 | K344-A367 WeakPolarHBondContact CE-O 3.47Å; K344-A367 PolarHBondContact NZ-O 2.98Å; Q364-A367 WeakPolarHBondContact O-CB 3.33Å; E365-A367 VanDerWaalsContact C-N 3.31Å; A367-L388 WeakPolarHBondContact CA-O 3.46Å; A367-V390 HydrophobicContact CB-CB 4.14Å; A367-V390 HydrophobicContact CB-CG2 3.85Å | ||
| 368 | G | 93.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.6 | -166.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L388 | G368-L388 PolarHBondContact N-O 2.98Å; G368-L388 PolarHBondContact O-N 2.87Å |
| 369 | T | 97.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.3 | -177.7 | -48.2 | 0 | 0 | 0 | 0 | 111.7 | H345 D385 V386 T387 | H345-T369 HydrophobicContact CB-CG2 4.34Å; H345-T369 WeakPolarHBondContact CB-O 3.42Å; H345-T369 PolarHBondContact N-O 3.11Å; T369-D385 HydrophobicContact CG2-CB 3.71Å; T369-V386 CarbonylContact C-O 3.59Å; T369-V386 WeakPolarHBondContact CA-O 3.43Å; T369-T387 HydrophobicContact CG2-CG2 4.48Å |
| 370 | Y | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.8 | 173.1 | -70.8 | -95.7 | 0 | 0 | 0 | 109.6 | F328 T343 K344 L351 L357 L359 D366 D385 V386 L388 | F328-Y370 HydrophobicContact CE2-CD2 4.05Å; F328-Y370 HydrophobicContact CE2-CG 4.48Å; T343-Y370 CarbonylContact O-C 3.48Å; T343-Y370 WeakPolarHBondContact O-CA 3.22Å; K344-Y370 HydrophobicContact CB-CD1 4.13Å; K344-Y370 HydrophobicContact CB-CE1 3.99Å; K344-Y370 HydrophobicContact CD-CE1 4.18Å; K344-Y370 HydrophobicContact CG-CD1 4.43Å; K344-Y370 HydrophobicContact CG-CE1 4.17Å; L351-Y370 HydrophobicContact CD1-CD1 3.87Å; L351-Y370 HydrophobicContact CD1-CE1 3.55Å; L357-Y370 HydrophobicContact CD2-CD1 3.49Å; L357-Y370 VanDerWaalsContact CD2-CD1 3.49Å; L357-Y370 HydrophobicContact CD2-CE1 3.95Å; L357-Y370 HydrophobicContact CD2-CG 4.14Å; L359-Y370 HydrophobicContact CD1-CE1 3.97Å; L359-Y370 HydrophobicContact CD1-CE2 4.1Å; L359-Y370 WeakPolarHBondContact CD1-OH 3.36Å; L359-Y370 HydrophobicContact CD2-CE1 4.37Å; D366-Y370 WeakPolarHBondContact O-CE2 3.01Å; D366-Y370 PolarHBondContact O-OH 2.75Å; Y370-D385 CarbonylContact O-C 3.56Å; Y370-D385 WeakPolarHBondContact O-CA 3.42Å; Y370-V386 PolarHBondContact N-O 2.89Å; Y370-V386 PolarHBondContact O-N 2.96Å; Y370-L388 HydrophobicContact CD2-CB 4.12Å; Y370-L388 HydrophobicContact CE2-CB 3.83Å; Y370-L388 HydrophobicContact CE2-CD2 3.96Å |
| 371 | T | 96.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.08 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.6 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | W342 T343 E383 D385 | W342-T371 WeakPolarHBondContact CA-O 3.15Å; T343-T371 PolarHBondContact N-O 3.44Å; T343-T371 PolarHBondContact O-N 3.28Å; T371-E383 HydrophobicContact CG2-CB 3.93Å; T371-E383 HydrophobicContact CG2-CG 4.34Å; T371-D385 WeakPolarHBondContact CA-OD1 3.39Å; T371-D385 VanDerWaalsContact CB-OD1 3.28Å; T371-D385 WeakPolarHBondContact CB-OD1 3.32Å; T371-D385 WeakPolarHBondContact CG2-OD1 3.45Å; T371-D385 PolarHBondContact OG1-OD1 3.46Å |
| 372 | C | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.6 | 168.8 | 173 | 0 | 0 | 0 | 0 | 109 | C330 W332 W342 E383 R384 | C330-C372 HydrophobicContact CB-CB 3.71Å; C330-C372 WeakPolarHBondContact CB-SG 3.47Å; C330-C372 WeakPolarHBondContact SG-CB 3.41Å; C330-C372 CovalentContact SG-SG 2.03Å; C330-C372 PolarHBondContact SG-SG 3.26Å; W332-C372 PolarHBondContact NE1-SG 2.87Å; W342-C372 HydrophobicContact CD2-CB 4.15Å; W342-C372 HydrophobicContact CE3-CB 3.9Å; W342-C372 HydrophobicContact CH2-CB 3.9Å; W342-C372 HydrophobicContact CZ2-CB 4.16Å; W342-C372 HydrophobicContact CZ3-CB 3.76Å; C372-E383 CarbonylContact O-C 3.58Å; C372-E383 VanDerWaalsContact O-CA 3.25Å; C372-E383 WeakPolarHBondContact O-CA 3Å; C372-R384 PolarHBondContact N-O 2.81Å; C372-R384 PolarHBondContact O-N 2.83Å |
| 373 | K | 95.5 | Very high | 94.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.8 | -177.4 | -166.1 | 176.7 | -166.6 | 94 | 0 | 110.8 | L340 A341 V381 E383 | L340-K373 WeakPolarHBondContact CA-O 3.36Å; A341-K373 PolarHBondContact N-O 3.21Å; A341-K373 PolarHBondContact O-N 2.8Å; K373-V381 HydrophobicContact CG-CG1 4.18Å; K373-E383 HydrophobicContact CB-CB 4.25Å; K373-E383 HydrophobicContact CG-CB 4.19Å; K373-E383 VanDerWaalsContact NZ-CD 3.35Å; K373-E383 IonicContact NZ-OE1 3.92Å; K373-E383 PolarHBondContact NZ-OE1 2.79Å; K373-E383 IonicContact NZ-OE2 3.75Å; K373-E383 PolarHBondContact NZ-OE2 2.88Å |
| 374 | A | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P309 W332 T339 L340 V381 A382 | P309-A374 HydrophobicContact CB-CB 3.72Å; P309-A374 HydrophobicContact CG-CB 4.14Å; P309-A374 WeakPolarHBondContact CG-O 3.47Å; W332-A374 HydrophobicContact CB-CB 4.05Å; W332-A374 HydrophobicContact CD2-CB 3.61Å; W332-A374 HydrophobicContact CE3-CB 4.19Å; W332-A374 HydrophobicContact CG-CB 3.55Å; T339-A374 WeakPolarHBondContact O-CA 3.38Å; L340-A374 HydrophobicContact CD2-CB 3.69Å; A374-V381 WeakPolarHBondContact O-CA 3.44Å; A374-A382 PolarHBondContact N-O 3.43Å; A374-A382 PolarHBondContact O-N 2.85Å |
| 375 | I | 96.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.3 | -174.2 | -59 | 173.5 | 0 | 0 | 0 | 108.8 | L338 T339 V381 | L338-I375 CarbonylContact C-O 3.5Å; L338-I375 WeakPolarHBondContact CA-O 3.41Å; L338-I375 WeakPolarHBondContact CB-O 3.48Å; T339-I375 PolarHBondContact N-O 2.87Å; T339-I375 PolarHBondContact O-N 2.97Å; I375-V381 HydrophobicContact CB-CG2 4.47Å; I375-V381 HydrophobicContact CG1-CG1 4.13Å; I375-V381 HydrophobicContact CG1-CG2 4.11Å; I375-V381 HydrophobicContact CG2-CG2 4.19Å |
| 376 | V | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.8 | 166.4 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | P309 P336 L338 R378 I379 G380 | P309-V376 HydrophobicContact CB-CG2 4.5Å; P309-V376 HydrophobicContact CG-CB 4.45Å; P309-V376 HydrophobicContact CG-CG2 3.91Å; P336-V376 WeakPolarHBondContact O-CG1 3.32Å; L338-V376 HydrophobicContact CB-CG2 3.83Å; V376-R378 PolarHBondContact O-N 3.22Å; V376-I379 HydrophobicContact CB-CB 4.2Å; V376-I379 HydrophobicContact CG1-CB 3.6Å; V376-I379 HydrophobicContact CG1-CG1 3.64Å; V376-I379 PolarHBondContact O-N 2.83Å; V376-I379 VanDerWaalsContact O-N 3.13Å; V376-G380 PolarHBondContact N-O 2.89Å; V376-G380 PolarHBondContact O-N 3.15Å |
| 377 | P | 95.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 123.4 | -176 | -28.5 | 35.8 | 0 | 0 | 0 | 113.4 | P337 I379 | P337-P377 WeakPolarHBondContact O-CD 3.27Å; P377-I379 PolarHBondContact O-N 2.96Å; P377-I379 VanDerWaalsContact O-N 3.11Å |
| 378 | R | 92.2 | Very high | 96 | Very high | 255 Ų | 255 | 52.5 Ų | 52.5 | 96% | 0.962 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 2.5 | -178.3 | -55.4 | -168.9 | -63.4 | -118.2 | 1 | 117.2 | V376 | V376-R378 PolarHBondContact O-N 3.22Š|
| 379 | I | 94 | Very high | 96 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 32% | 0.323 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -44.6 | 176.5 | -49.5 | -62.1 | 0 | 0 | 0 | 112.2 | Q306 V376 P377 | Q306-I379 HydrophobicContact CB-CD1 4.21Å; V376-I379 HydrophobicContact CB-CB 4.2Å; V376-I379 HydrophobicContact CG1-CB 3.6Å; V376-I379 HydrophobicContact CG1-CG1 3.64Å; V376-I379 PolarHBondContact O-N 2.83Å; V376-I379 VanDerWaalsContact O-N 3.13Å; P377-I379 PolarHBondContact O-N 2.96Å; P377-I379 VanDerWaalsContact O-N 3.11Å |
| 380 | G | 94.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | V376 | V376-G380 PolarHBondContact N-O 2.89Å; V376-G380 PolarHBondContact O-N 3.15Å |
| 381 | V | 96.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.6 | -177.9 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | K373 A374 I375 | K373-V381 HydrophobicContact CG-CG1 4.18Å; A374-V381 WeakPolarHBondContact O-CA 3.44Å; I375-V381 HydrophobicContact CB-CG2 4.47Å; I375-V381 HydrophobicContact CG1-CG1 4.13Å; I375-V381 HydrophobicContact CG1-CG2 4.11Å; I375-V381 HydrophobicContact CG2-CG2 4.19Å |
| 382 | A | 96.9 | Very high | 95.3 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P309 W332 A374 | P309-A382 HydrophobicContact CB-CB 4.05Å; P309-A382 HydrophobicContact CG-CB 4.24Å; W332-A382 HydrophobicContact CE3-CB 4.34Å; W332-A382 HydrophobicContact CH2-CB 3.6Å; W332-A382 HydrophobicContact CZ3-CB 3.46Å; W332-A382 VanDerWaalsContact CZ3-CB 3.46Å; A374-A382 PolarHBondContact N-O 3.43Å; A374-A382 PolarHBondContact O-N 2.85Å |
| 383 | E | 95.7 | Very high | 95.1 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.4 | -179.1 | 59.1 | -154.6 | 155.7 | 0 | 0 | 113.9 | T371 C372 K373 | T371-E383 HydrophobicContact CG2-CB 3.93Å; T371-E383 HydrophobicContact CG2-CG 4.34Å; C372-E383 CarbonylContact O-C 3.58Å; C372-E383 VanDerWaalsContact O-CA 3.25Å; C372-E383 WeakPolarHBondContact O-CA 3Å; K373-E383 HydrophobicContact CB-CB 4.25Å; K373-E383 HydrophobicContact CG-CB 4.19Å; K373-E383 VanDerWaalsContact NZ-CD 3.35Å; K373-E383 IonicContact NZ-OE1 3.92Å; K373-E383 PolarHBondContact NZ-OE1 2.79Å; K373-E383 IonicContact NZ-OE2 3.75Å; K373-E383 PolarHBondContact NZ-OE2 2.88Å |
| 384 | R | 96.4 | Very high | 94.9 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 42% | 0.419 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.4 | 177.8 | -84.7 | -68 | -175.1 | -95.8 | 7.4 | 110.7 | L311 E314 P315 W332 C372 | L311-R384 HydrophobicContact CD1-CG 4.28Å; L311-R384 HydrophobicContact CD2-CG 3.92Å; E314-R384 WeakPolarHBondContact OE1-CD 3.2Å; E314-R384 IonicContact OE1-CZ 3.61Å; E314-R384 IonicContact OE1-NE 3.78Å; E314-R384 PolarHBondContact OE1-NE 2.9Å; E314-R384 IonicContact OE1-NH2 3.74Å; P315-R384 HydrophobicContact CG-CB 4.18Å; W332-R384 HydrophobicContact CH2-CG 4.12Å; W332-R384 HydrophobicContact CZ2-CB 4.18Å; W332-R384 HydrophobicContact CZ2-CG 3.97Å; C372-R384 PolarHBondContact N-O 2.81Å; C372-R384 PolarHBondContact O-N 2.83Å |
| 385 | D | 96.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 147.6 | 176.7 | -71 | -36.6 | 0 | 0 | 0 | 112 | T369 Y370 T371 | T369-D385 HydrophobicContact CG2-CB 3.71Å; Y370-D385 CarbonylContact O-C 3.56Å; Y370-D385 WeakPolarHBondContact O-CA 3.42Å; T371-D385 WeakPolarHBondContact CA-OD1 3.39Å; T371-D385 VanDerWaalsContact CB-OD1 3.28Å; T371-D385 WeakPolarHBondContact CB-OD1 3.32Å; T371-D385 WeakPolarHBondContact CG2-OD1 3.45Å; T371-D385 PolarHBondContact OG1-OD1 3.46Å |
| 386 | V | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.8 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 110.5 | P315 K316 P317 F328 W342 T369 Y370 | P315-V386 HydrophobicContact CB-CB 3.87Å; P315-V386 HydrophobicContact CB-CG1 4.03Å; P315-V386 HydrophobicContact CB-CG2 4.05Å; P315-V386 HydrophobicContact CG-CB 4.08Å; P315-V386 HydrophobicContact CG-CG1 4.43Å; K316-V386 VanDerWaalsContact O-CG2 3.26Å; K316-V386 WeakPolarHBondContact O-CG2 3.36Å; P317-V386 HydrophobicContact CG-CG2 4.45Å; F328-V386 HydrophobicContact CB-CG1 4.36Å; F328-V386 HydrophobicContact CD1-CB 4.39Å; F328-V386 HydrophobicContact CD1-CG1 3.77Å; F328-V386 HydrophobicContact CD1-CG2 3.68Å; F328-V386 HydrophobicContact CD2-CG1 4.06Å; F328-V386 HydrophobicContact CE1-CB 4.41Å; F328-V386 HydrophobicContact CE1-CG1 3.97Å; F328-V386 HydrophobicContact CE1-CG2 3.54Å; F328-V386 HydrophobicContact CE2-CG1 4.25Å; F328-V386 HydrophobicContact CG-CG1 3.82Å; F328-V386 HydrophobicContact CZ-CG1 4.21Å; F328-V386 HydrophobicContact CZ-CG2 4.31Å; W342-V386 HydrophobicContact CZ3-CG1 3.97Å; T369-V386 CarbonylContact C-O 3.59Å; T369-V386 WeakPolarHBondContact CA-O 3.43Å; Y370-V386 PolarHBondContact N-O 2.89Å; Y370-V386 PolarHBondContact O-N 2.96Å |
| 387 | T | 96.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.4 | -178.3 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | P317 M318 T369 | P317-T387 WeakPolarHBondContact CA-O 3.25Å; M318-T387 PolarHBondContact N-O 3.45Å; M318-T387 VanDerWaalsContact N-O 3.07Å; T369-T387 HydrophobicContact CG2-CG2 4.48Å |
| 388 | L | 96.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.4 | 166.7 | -174 | 61.6 | 0 | 0 | 0 | 109.6 | M318 V320 A326 F328 L359 V362 D366 A367 G368 Y370 V390 | M318-L388 HydrophobicContact CB-CD1 4.44Å; V320-L388 HydrophobicContact CB-CD1 4.45Å; V320-L388 HydrophobicContact CG2-CD1 4Å; A326-L388 HydrophobicContact CB-CD1 4Å; F328-L388 HydrophobicContact CE2-CB 3.92Å; F328-L388 HydrophobicContact CE2-CD1 4.2Å; F328-L388 HydrophobicContact CE2-CG 4.45Å; F328-L388 HydrophobicContact CZ-CB 3.73Å; F328-L388 HydrophobicContact CZ-CD1 3.89Å; F328-L388 HydrophobicContact CZ-CG 4.35Å; L359-L388 HydrophobicContact CD1-CD2 3.67Å; V362-L388 HydrophobicContact CG1-CD2 3.96Å; D366-L388 HydrophobicContact CB-CD2 4.25Å; A367-L388 WeakPolarHBondContact CA-O 3.46Å; G368-L388 PolarHBondContact N-O 2.98Å; G368-L388 PolarHBondContact O-N 2.87Å; Y370-L388 HydrophobicContact CD2-CB 4.12Å; Y370-L388 HydrophobicContact CE2-CB 3.83Å; Y370-L388 HydrophobicContact CE2-CD2 3.96Å; L388-V390 HydrophobicContact CD2-CG2 4.14Å; L388-V390 HydrophobicContact CG-CG2 3.99Å |
| 389 | T | 93.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.2 | 168.4 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | M318 T319 V320 | M318-T389 PolarHBondContact O-N 2.91Å; T319-T389 CarbonylContact C-O 3.54Å; T319-T389 VanDerWaalsContact CA-O 3.27Å; T319-T389 WeakPolarHBondContact CA-O 3.17Å; T319-T389 HydrophobicContact CG2-CG2 4.02Å; V320-T389 PolarHBondContact N-O 2.72Å |
| 390 | V | 93.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.4 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 109 | V320 I322 V362 Q364 A367 L388 | V320-V390 CarbonylContact O-C 3.52Å; V320-V390 WeakPolarHBondContact O-CA 3.32Å; I322-V390 HydrophobicContact CB-CG1 4.23Å; V362-V390 HydrophobicContact CG1-CB 4.42Å; V362-V390 HydrophobicContact CG1-CG1 4.08Å; V362-V390 HydrophobicContact CG1-CG2 3.43Å; V362-V390 VanDerWaalsContact CG1-CG2 3.43Å; Q364-V390 PolarHBondContact NE2-O 3.45Å; A367-V390 HydrophobicContact CB-CB 4.14Å; A367-V390 HydrophobicContact CB-CG2 3.85Å; L388-V390 HydrophobicContact CD2-CG2 4.14Å; L388-V390 HydrophobicContact CG-CG2 3.99Å |
| 391 | N | 92.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127 | 174.4 | -65.2 | -35 | 0 | 0 | 0 | 109.9 | T319 V320 D321 I322 S419 F479 | T319-N391 WeakPolarHBondContact CG2-ND2 3.13Å; T319-N391 WeakPolarHBondContact CG2-OD1 3.43Å; V320-N391 PolarHBondContact O-N 2.91Å; D321-N391 PolarHBondContact OD1-ND2 2.88Å; I322-N391 WeakPolarHBondContact CB-O 3.33Å; I322-N391 PolarHBondContact N-O 3.21Å; N391-S419 VanDerWaalsContact CA-O 3.23Å; N391-S419 WeakPolarHBondContact CA-O 3.45Å; N391-F479 HydrophobicContact CB-CD2 4.43Å; N391-F479 HydrophobicContact CB-CE1 4.18Å; N391-F479 HydrophobicContact CB-CE2 3.58Å; N391-F479 HydrophobicContact CB-CZ 3.39Å |
| 392 | G | 90.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -159.1 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S419 N477 | G392-S419 PolarHBondContact N-O 2.82Å; G392-N477 PolarHBondContact O-ND2 2.99Å | ||
| 393 | P | 91.1 | Very high | 92.9 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.2 | 154.7 | 177.4 | 28.8 | -35.4 | 0 | 0 | 0 | 111.5 | I395 | P393-I395 PolarHBondContact O-N 2.94Š|
| 394 | P | 92.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 129 | -174.8 | -22.4 | 34.6 | 0 | 0 | 0 | 112.8 | V416 A475 N477 G482 | P394-V416 HydrophobicContact CB-CG1 3.88Å; P394-A475 HydrophobicContact CB-CB 3.89Å; P394-A475 HydrophobicContact CG-CB 4.23Å; P394-N477 HydrophobicContact CG-CB 3.98Å; P394-G482 VanDerWaalsContact O-CA 3.25Å; P394-G482 WeakPolarHBondContact O-CA 3.17Å |
| 395 | I | 90.3 | Very high | 92.3 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.2 | 173.7 | -47.6 | 175.1 | 0 | 0 | 0 | 108 | Q364 P393 V416 G417 | Q364-I395 HydrophobicContact CG-CD1 3.67Å; Q364-I395 HydrophobicContact CG-CG1 4.41Å; P393-I395 PolarHBondContact O-N 2.94Å; I395-V416 CarbonylContact O-C 3.6Å; I395-V416 WeakPolarHBondContact O-CA 3.27Å; I395-G417 PolarHBondContact N-O 3.33Å; I395-G417 PolarHBondContact O-N 2.83Å |
| 396 | I | 92.3 | Very high | 92 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.2 | -179 | -50.1 | -174.8 | 0 | 0 | 0 | 110 | C414 R415 V416 C473 A475 G482 A484 | I396-C414 HydrophobicContact CG2-CB 3.84Å; I396-R415 CarbonylContact C-O 3.58Å; I396-R415 WeakPolarHBondContact CA-O 3.37Å; I396-V416 HydrophobicContact CD1-CG2 4.45Å; I396-V416 HydrophobicContact CG1-CG2 4.23Å; I396-V416 HydrophobicContact CG2-CG2 4.39Å; I396-C473 VanDerWaalsContact CD1-O 3.25Å; I396-C473 WeakPolarHBondContact CD1-O 3.34Å; I396-C473 HydrophobicContact CG2-CB 4.5Å; I396-A475 HydrophobicContact CD1-CB 3.7Å; I396-A475 HydrophobicContact CG1-CB 4.31Å; I396-G482 VanDerWaalsContact CD1-C 3.44Å; I396-G482 VanDerWaalsContact CD1-O 3.31Å; I396-G482 WeakPolarHBondContact CD1-O 3.32Å; I396-A484 HydrophobicContact CB-CB 3.96Å; I396-A484 HydrophobicContact CG2-CB 3.5Å; I396-A484 VanDerWaalsContact CG2-CB 3.5Å |
| 397 | T | 91.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 49.4 Ų | 49.4 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.6 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | R415 | T397-R415 PolarHBondContact N-O 2.9Å; T397-R415 PolarHBondContact O-N 2.92Å |
| 398 | A | 90.9 | Very high | 91.1 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | trans | -148.2 | 145.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A400 C414 A484 V486 | A398-A400 PolarHBondContact O-N 2.02Å; A398-C414 HydrophobicContact CB-CB 3.79Å; A398-A484 HydrophobicContact CB-CB 4.11Å; A398-V486 HydrophobicContact CB-CG2 3.81Å | ||
| 399 | D | 90.8 | Very high | 90.8 | Very high | 120 Ų | 120 | 55.2 Ų | 55.2 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | trans | -66.3 | 121.4 | 171.6 | -65.9 | -42.1 | 0 | 0 | 0 | 109.2 | T401 Q402 | D399-T401 PolarHBondContact O-N 3.38Å; D399-T401 VanDerWaalsContact O-N 3.15Å; D399-Q402 HydrophobicContact CB-CG 3.85Å; D399-Q402 PolarHBondContact O-NE2 2.83Å; D399-Q402 VanDerWaalsContact O-NE2 3.11Å | ||
| 400 | A | 88.9 | Confident | 90.7 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.4 | -20.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A398 T487 | A398-A400 PolarHBondContact O-N 2.02Å; A400-T487 PolarHBondContact O-N 2.87Å; A400-T487 PolarHBondContact O-OG1 2.91Å |
| 401 | T | 90.6 | Very high | 90.6 | Very high | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.27 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.3 | 168.4 | -69.2 | 0 | 0 | 0 | 0 | 108.2 | D399 T487 K489 | D399-T401 PolarHBondContact O-N 3.38Å; D399-T401 VanDerWaalsContact O-N 3.15Å; T401-T487 WeakPolarHBondContact CA-O 3.42Å; T401-T487 PolarHBondContact OG1-OG1 2.87Å; T401-K489 HydrophobicContact CG2-CB 4.2Å; T401-K489 HydrophobicContact CG2-CD 3.5Å; T401-K489 VanDerWaalsContact CG2-CD 3.5Å; T401-K489 HydrophobicContact CG2-CG 3.83Å; T401-K489 WeakPolarHBondContact OG1-CE 3.27Å; T401-K489 PolarHBondContact OG1-NZ 2.9Å; T401-K489 VanDerWaalsContact OG1-NZ 3.11Å |
| 402 | Q | 92.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 159.3 | 172.7 | -66.9 | 176 | 37.3 | 0 | 0 | 109.3 | D399 L412 E413 V486 T487 L488 K489 | D399-Q402 HydrophobicContact CB-CG 3.85Å; D399-Q402 PolarHBondContact O-NE2 2.83Å; D399-Q402 VanDerWaalsContact O-NE2 3.11Å; Q402-L412 HydrophobicContact CB-CD2 4.13Å; Q402-E413 PolarHBondContact NE2-O 3.16Å; Q402-V486 HydrophobicContact CB-CG1 4.39Å; Q402-V486 HydrophobicContact CG-CG1 4.09Å; Q402-T487 PolarHBondContact N-O 3.35Å; Q402-L488 CarbonylContact O-C 3.57Å; Q402-L488 WeakPolarHBondContact O-CA 3.41Å; Q402-K489 PolarHBondContact O-N 2.82Å |
| 403 | H | 90.9 | Very high | 90.8 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.3 | -163.4 | -76.7 | -80 | 0 | 0 | 0 | 111.8 | Q491 | H403-Q491 HydrophobicContact CB-CB 4.13Å; H403-Q491 HydrophobicContact CB-CG 4.34Å |
| 404 | A | 90.3 | Very high | 91 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 144.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T462 F467 L488 K489 Q491 | A404-T462 HydrophobicContact CB-CG2 3.96Å; A404-F467 HydrophobicContact CB-CE1 4.37Å; A404-F467 WeakPolarHBondContact O-CE1 3.16Å; A404-F467 WeakPolarHBondContact O-CZ 3.39Å; A404-L488 HydrophobicContact CB-CD1 3.95Å; A404-L488 HydrophobicContact CB-CD2 4.44Å; A404-L488 HydrophobicContact CB-CG 4.49Å; A404-K489 PolarHBondContact N-O 2.92Å; A404-Q491 PolarHBondContact O-N 2.92Å |
| 405 | V | 89.7 | Confident | 91 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | trans | -66.9 | 150.8 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | S408 T462 Q491 A493 | V405-S408 PolarHBondContact O-OG 3.17Å; V405-T462 PolarHBondContact O-OG1 2.89Å; V405-Q491 HydrophobicContact CG2-CB 4.23Å; V405-A493 HydrophobicContact CG1-CB 4.04Å; V405-A493 HydrophobicContact CG2-CB 4.36Å | ||
| 406 | K | 88.6 | Confident | 91.2 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 145.3 | 176.7 | 177.3 | 179.7 | 165.6 | -176.8 | 0 | 111.8 | S408 T462 V464 F467 E490 | K406-S408 PolarHBondContact O-N 2.89Å; K406-T462 WeakPolarHBondContact CA-OG1 3.44Å; K406-V464 HydrophobicContact CD-CG2 4.23Å; K406-V464 VanDerWaalsContact CE-CG2 3.47Å; K406-F467 HydrophobicContact CB-CE2 3.81Å; K406-F467 HydrophobicContact CB-CZ 4.2Å; K406-F467 HydrophobicContact CG-CE2 4.14Å; K406-E490 HydrophobicContact CB-CG 4.11Å; K406-E490 VanDerWaalsContact CB-OE1 3.25Å; K406-E490 WeakPolarHBondContact CB-OE1 3.45Å; K406-E490 WeakPolarHBondContact CD-OE1 3.42Å |
| 407 | H | 87.1 | Confident | 91.1 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.3 | -171 | -59.8 | -69.8 | 0 | 0 | 0 | 114.1 | E461 T462 | H407-E461 IonicContact CE1-OE1 3.52Å; H407-E461 IonicContact CG-OE1 2.79Å; H407-E461 IonicContact ND1-OE1 2.62Å; H407-E461 PolarHBondContact ND1-OE1 2.82Å; H407-T462 WeakPolarHBondContact CA-O 3.36Å; H407-T462 PolarHBondContact N-O 2.87Å; H407-T462 PolarHBondContact N-OG1 3.24Å |
| 408 | S | 89.5 | Confident | 90.8 | Very high | 42 Ų | 42 | 54 Ų | 54 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -120.4 | 172 | 172.7 | 81.3 | 0 | 0 | 0 | 0 | 111.4 | V405 K406 G410 E461 T462 | V405-S408 PolarHBondContact O-OG 3.17Å; K406-S408 PolarHBondContact O-N 2.89Å; S408-G410 PolarHBondContact O-N 3.03Å; S408-E461 CarbonylContact O-C 3.49Å; S408-E461 VanDerWaalsContact O-CA 3.27Å; S408-E461 WeakPolarHBondContact O-CA 3.3Å; S408-T462 PolarHBondContact N-OG1 3.22Å; S408-T462 VanDerWaalsContact N-OG1 3.14Å; S408-T462 PolarHBondContact O-N 2.74Å; S408-T462 PolarHBondContact O-OG1 2.84Å; S408-T462 VanDerWaalsContact O-OG1 3.08Å |
| 409 | K | 89.6 | Confident | 90.7 | Very high | 145 Ų | 145 | 55 Ų | 55 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | trans | -61.6 | 124.9 | 169.6 | -171.4 | -179.6 | -178.4 | 178.4 | 0 | 109.5 | V458 L459 | K409-V458 HydrophobicContact CD-CG1 4.41Å; K409-V458 HydrophobicContact CG-CG1 4.26Å; K409-L459 CarbonylContact C-O 3.55Å; K409-L459 WeakPolarHBondContact CA-O 3.14Å; K409-L459 WeakPolarHBondContact CG-O 3.23Å | ||
| 410 | G | 90.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 153 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S408 L459 | S408-G410 PolarHBondContact O-N 3.03Å; G410-L459 PolarHBondContact N-O 3.01Å; G410-L459 PolarHBondContact O-N 3.06Å |
| 411 | K | 93 | Very high | 90.5 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.3 | 172.3 | -165.3 | 178 | -170.4 | -161.5 | 0 | 110 | E413 S456 L457 V458 | K411-E413 HydrophobicContact CD-CG 4.18Å; K411-E413 WeakPolarHBondContact CD-OE1 3.28Å; K411-E413 WeakPolarHBondContact CE-OE1 3.39Å; K411-E413 HydrophobicContact CG-CG 4.21Å; K411-E413 IonicContact NZ-OE1 3.67Å; K411-E413 PolarHBondContact NZ-OE1 3.19Å; K411-S456 WeakPolarHBondContact CE-OG 3.48Å; K411-S456 PolarHBondContact NZ-OG 2.81Å; K411-L457 WeakPolarHBondContact CA-O 3.24Å; K411-V458 HydrophobicContact CG-CG2 4.19Å |
| 412 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.6 | 175 | -72.8 | 157.6 | 0 | 0 | 0 | 107.8 | Q402 W427 S456 L457 L459 Y471 V486 L488 | Q402-L412 HydrophobicContact CB-CD2 4.13Å; L412-W427 HydrophobicContact CB-CH2 3.86Å; L412-W427 HydrophobicContact CB-CZ2 4.49Å; L412-W427 HydrophobicContact CB-CZ3 4.11Å; L412-W427 WeakPolarHBondContact O-CZ2 3.27Å; L412-S456 CarbonylContact O-C 3.44Å; L412-S456 VanDerWaalsContact O-CA 3.29Å; L412-S456 WeakPolarHBondContact O-CA 3.48Å; L412-L457 HydrophobicContact CB-CB 4.22Å; L412-L457 HydrophobicContact CD1-CD2 4.05Å; L412-L457 PolarHBondContact N-O 2.7Å; L412-L457 PolarHBondContact O-N 2.74Å; L412-L459 HydrophobicContact CD1-CD1 4.04Å; L412-Y471 HydrophobicContact CD1-CD1 3.74Å; L412-Y471 HydrophobicContact CD1-CD2 3.61Å; L412-Y471 HydrophobicContact CD1-CE1 3.98Å; L412-Y471 HydrophobicContact CD1-CE2 3.84Å; L412-Y471 HydrophobicContact CD1-CG 3.56Å; L412-V486 HydrophobicContact CD2-CB 4.38Å; L412-V486 HydrophobicContact CD2-CG1 3.44Å; L412-V486 VanDerWaalsContact CD2-CG1 3.44Å; L412-L488 HydrophobicContact CD2-CB 4.18Å; L412-L488 HydrophobicContact CD2-CD1 3.9Å; L412-L488 HydrophobicContact CG-CD1 4.18Å |
| 413 | E | 94.3 | Very high | 90.5 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.3 | -175.8 | -63.2 | -166.6 | 177.1 | 0 | 0 | 112.5 | Q402 K411 L454 S455 | Q402-E413 PolarHBondContact NE2-O 3.16Å; K411-E413 HydrophobicContact CD-CG 4.18Å; K411-E413 WeakPolarHBondContact CD-OE1 3.28Å; K411-E413 WeakPolarHBondContact CE-OE1 3.39Å; K411-E413 HydrophobicContact CG-CG 4.21Å; K411-E413 IonicContact NZ-OE1 3.67Å; K411-E413 PolarHBondContact NZ-OE1 3.19Å; E413-L454 HydrophobicContact CB-CD1 4.19Å; E413-S455 WeakPolarHBondContact CA-O 3.4Å |
| 414 | C | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.3 | 165.7 | 58 | 0 | 0 | 0 | 0 | 110.3 | I396 A398 W427 S455 C473 | I396-C414 HydrophobicContact CG2-CB 3.84Å; A398-C414 HydrophobicContact CB-CB 3.79Å; C414-W427 HydrophobicContact CB-CH2 4.25Å; C414-W427 HydrophobicContact CB-CZ2 4.16Å; C414-W427 WeakPolarHBondContact SG-CZ2 3.35Å; C414-S455 PolarHBondContact N-O 2.94Å; C414-S455 PolarHBondContact O-N 2.89Å; C414-C473 HydrophobicContact CB-CB 3.61Å; C414-C473 WeakPolarHBondContact CB-SG 3.23Å; C414-C473 WeakPolarHBondContact SG-CB 3.23Å; C414-C473 CovalentContact SG-SG 2.03Å; C414-C473 PolarHBondContact SG-SG 2.83Å |
| 415 | R | 93.8 | Very high | 90.7 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.2 | 172.4 | -65.1 | 175.7 | -165.5 | -92.6 | -7.3 | 109 | I396 T397 L454 | I396-R415 CarbonylContact C-O 3.58Å; I396-R415 WeakPolarHBondContact CA-O 3.37Å; T397-R415 PolarHBondContact N-O 2.9Å; T397-R415 PolarHBondContact O-N 2.92Å; R415-L454 HydrophobicContact CG-CD1 3.64Å |
| 416 | V | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 99.7 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | P394 I395 I396 P422 I425 G452 V453 A475 | P394-V416 HydrophobicContact CB-CG1 3.88Å; I395-V416 CarbonylContact O-C 3.6Å; I395-V416 WeakPolarHBondContact O-CA 3.27Å; I396-V416 HydrophobicContact CD1-CG2 4.45Å; I396-V416 HydrophobicContact CG1-CG2 4.23Å; I396-V416 HydrophobicContact CG2-CG2 4.39Å; V416-P422 HydrophobicContact CG1-CB 4.3Å; V416-P422 HydrophobicContact CG1-CG 4.26Å; V416-I425 HydrophobicContact CB-CD1 4.17Å; V416-I425 HydrophobicContact CG2-CD1 3.89Å; V416-I425 HydrophobicContact CG2-CG1 4.31Å; V416-I425 HydrophobicContact CG2-CG2 4.39Å; V416-G452 WeakPolarHBondContact O-CA 3.46Å; V416-V453 PolarHBondContact N-O 2.75Å; V416-V453 PolarHBondContact O-N 2.89Å; V416-A475 HydrophobicContact CG1-CB 3.59Å; V416-A475 HydrophobicContact CG2-CB 4.07Å |
| 417 | G | 90.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I395 | I395-G417 PolarHBondContact N-O 3.33Å; I395-G417 PolarHBondContact O-N 2.83Å |
| 418 | S | 85.8 | Confident | 91.6 | Very high | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | trans | -146.7 | 130.2 | -174.4 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | P420 N477 | S418-P420 CarbonylContact C-O 3.57Å; S418-P420 WeakPolarHBondContact CB-O 3.34Å; S418-P420 CarbonylContact O-C 3.58Å; S418-P420 PolarHBondContact OG-O 3.49Å; S418-N477 PolarHBondContact OG-ND2 2.95Å; S418-N477 VanDerWaalsContact OG-ND2 3.08Å | ||
| 419 | S | 88.6 | Confident | 91.7 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -129.9 | 119.2 | 167.2 | -73.1 | 0 | 0 | 0 | 0 | 107.5 | N391 G392 | N391-S419 VanDerWaalsContact CA-O 3.23Å; N391-S419 WeakPolarHBondContact CA-O 3.45Å; G392-S419 PolarHBondContact N-O 2.82Å |
| 420 | P | 88.2 | Confident | 91.6 | Very high | 38 Ų | 38 | 43 Ų | 43 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | S | Bend | cis | -60.2 | 171.4 | -10.6 | 30.9 | -38.2 | 0 | 0 | 0 | 112.5 | S418 N477 R478 F479 | S418-P420 CarbonylContact C-O 3.57Å; S418-P420 WeakPolarHBondContact CB-O 3.34Å; S418-P420 CarbonylContact O-C 3.58Å; S418-P420 PolarHBondContact OG-O 3.49Å; P420-N477 PolarHBondContact O-ND2 2.95Å; P420-R478 HydrophobicContact CG-CG 4.1Å; P420-F479 HydrophobicContact CG-CD2 4.31Å; P420-F479 HydrophobicContact CG-CE2 3.96Å |
| 421 | P | 88.4 | Confident | 91.3 | Very high | 100 Ų | 100 | 51.6 Ų | 51.6 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 155.3 | 175.9 | -28.2 | 36.5 | 0 | 0 | 0 | 113.8 | ||
| 422 | P | 91.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 20% | 0.195 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 131.3 | -175.9 | 31.2 | -31.7 | 0 | 0 | 0 | 111.4 | V416 K424 I425 V453 W476 | V416-P422 HydrophobicContact CG1-CB 4.3Å; V416-P422 HydrophobicContact CG1-CG 4.26Å; P422-K424 PolarHBondContact O-N 3.45Å; P422-I425 HydrophobicContact CB-CG1 4.31Å; P422-I425 HydrophobicContact CG-CD1 4.14Å; P422-I425 HydrophobicContact CG-CG1 4.23Å; P422-V453 HydrophobicContact CG-CG2 4.2Å; P422-W476 CarbonylContact C-O 3.59Å; P422-W476 WeakPolarHBondContact CA-O 3.45Å |
| 423 | D | 91.1 | Very high | 91 | Very high | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -65.6 | -30.7 | 177.4 | -62.1 | -42.2 | 0 | 0 | 0 | 111.8 | W476 N477 R478 | D423-W476 PolarHBondContact N-O 2.56Å; D423-N477 WeakPolarHBondContact OD2-CA 3.46Å; D423-R478 PolarHBondContact OD2-N 2.69Å; D423-R478 VanDerWaalsContact OD2-N 3.15Å |
| 424 | K | 91.1 | Very high | 91 | Very high | 110 Ų | 110 | 52 Ų | 52 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 151 | 177.3 | 52.8 | 177.8 | 177.8 | 178.9 | 0 | 111.6 | P422 A475 W476 | P422-K424 PolarHBondContact O-N 3.45Å; K424-A475 WeakPolarHBondContact O-CA 3.47Å; K424-W476 HydrophobicContact CD-CB 4.47Å; K424-W476 HydrophobicContact CD-CD2 4.13Å; K424-W476 HydrophobicContact CD-CE3 4.1Å; K424-W476 HydrophobicContact CD-CG 4.31Å; K424-W476 VanDerWaalsContact CE-CD2 3.44Å; K424-W476 HydrophobicContact CG-CB 3.82Å; K424-W476 HydrophobicContact CG-CD2 4.02Å; K424-W476 HydrophobicContact CG-CE3 3.76Å; K424-W476 HydrophobicContact CG-CG 4.08Å; K424-W476 PolarHBondContact O-N 3.32Å |
| 425 | I | 94.2 | Very high | 90.7 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139 | 169.7 | -54.4 | 171 | 0 | 0 | 0 | 106.9 | V416 P422 S435 V453 T474 A475 | V416-I425 HydrophobicContact CB-CD1 4.17Å; V416-I425 HydrophobicContact CG2-CD1 3.89Å; V416-I425 HydrophobicContact CG2-CG1 4.31Å; V416-I425 HydrophobicContact CG2-CG2 4.39Å; P422-I425 HydrophobicContact CB-CG1 4.31Å; P422-I425 HydrophobicContact CG-CD1 4.14Å; P422-I425 HydrophobicContact CG-CG1 4.23Å; I425-S435 WeakPolarHBondContact O-CA 3.48Å; I425-S435 WeakPolarHBondContact O-CB 3.46Å; I425-V453 HydrophobicContact CD1-CB 3.92Å; I425-V453 HydrophobicContact CD1-CG1 3.64Å; I425-T474 CarbonylContact C-O 3.54Å; I425-T474 WeakPolarHBondContact CA-O 3.36Å; I425-A475 HydrophobicContact CG1-CB 4.07Å |
| 426 | V | 94.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.2 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | T428 L434 T474 W476 | V426-T428 HydrophobicContact CG1-CG2 3.97Å; V426-L434 WeakPolarHBondContact CA-O 3.41Å; V426-T474 PolarHBondContact N-O 2.87Å; V426-T474 PolarHBondContact O-N 2.96Å; V426-W476 HydrophobicContact CB-CH2 3.84Å; V426-W476 HydrophobicContact CB-CZ3 3.58Å; V426-W476 HydrophobicContact CG2-CE3 4.29Å; V426-W476 HydrophobicContact CG2-CH2 3.8Å; V426-W476 HydrophobicContact CG2-CZ3 3.39Å |
| 427 | W | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129 | 165 | -72.7 | 91.1 | 0 | 0 | 0 | 109.9 | L412 C414 S433 L434 V444 S455 L457 N472 C473 V486 | L412-W427 HydrophobicContact CB-CH2 3.86Å; L412-W427 HydrophobicContact CB-CZ2 4.49Å; L412-W427 HydrophobicContact CB-CZ3 4.11Å; L412-W427 WeakPolarHBondContact O-CZ2 3.27Å; C414-W427 HydrophobicContact CB-CH2 4.25Å; C414-W427 HydrophobicContact CB-CZ2 4.16Å; C414-W427 WeakPolarHBondContact SG-CZ2 3.35Å; W427-S433 CarbonylContact O-C 3.49Å; W427-S433 VanDerWaalsContact O-CA 3.3Å; W427-S433 WeakPolarHBondContact O-CA 3.33Å; W427-L434 PolarHBondContact N-O 2.87Å; W427-L434 PolarHBondContact O-N 2.88Å; W427-V444 HydrophobicContact CG-CG2 4.5Å; W427-S455 PolarHBondContact NE1-OG 2.8Å; W427-L457 HydrophobicContact CB-CD1 4.43Å; W427-L457 HydrophobicContact CB-CD2 4.16Å; W427-L457 HydrophobicContact CD2-CB 3.63Å; W427-L457 HydrophobicContact CD2-CD2 4.14Å; W427-L457 HydrophobicContact CD2-CG 4.46Å; W427-L457 HydrophobicContact CE3-CB 4.15Å; W427-L457 HydrophobicContact CE3-CD2 4.08Å; W427-L457 HydrophobicContact CG-CB 3.81Å; W427-L457 HydrophobicContact CG-CD2 4.21Å; W427-L457 HydrophobicContact CG-CG 4.4Å; W427-L457 HydrophobicContact CZ2-CB 4.15Å; W427-N472 CarbonylContact C-O 3.57Å; W427-N472 VanDerWaalsContact CA-O 3.29Å; W427-N472 WeakPolarHBondContact CA-O 3.4Å; W427-C473 HydrophobicContact CD2-CB 4.09Å; W427-C473 HydrophobicContact CE3-CB 3.91Å; W427-C473 HydrophobicContact CH2-CB 3.84Å; W427-C473 HydrophobicContact CZ2-CB 4Å; W427-C473 HydrophobicContact CZ3-CB 3.79Å; W427-V486 HydrophobicContact CH2-CG2 4.24Å; W427-V486 HydrophobicContact CZ3-CB 4.34Å; W427-V486 HydrophobicContact CZ3-CG2 4.14Å |
| 428 | T | 93.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136 | 173.9 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | V426 M432 N472 | V426-T428 HydrophobicContact CG1-CG2 3.97Å; T428-M432 WeakPolarHBondContact CA-O 3.23Å; T428-N472 PolarHBondContact N-O 3.28Å; T428-N472 PolarHBondContact O-N 2.97Å; T428-N472 PolarHBondContact OG1-ND2 3.31Å |
| 429 | F | 92.5 | Very high | 90 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 123.2 | -176.4 | 51.2 | -84.2 | 0 | 0 | 0 | 111 | D431 M432 L434 Y442 L457 M469 R470 Y471 | F429-D431 PolarHBondContact O-N 3.3Å; F429-M432 HydrophobicContact CE2-CB 4.24Å; F429-M432 HydrophobicContact CE2-CE 3.51Å; F429-M432 HydrophobicContact CE2-CG 4.42Å; F429-M432 HydrophobicContact CZ-CB 4.46Å; F429-M432 HydrophobicContact CZ-CE 3.74Å; F429-M432 HydrophobicContact CZ-CG 4.23Å; F429-M432 PolarHBondContact N-O 3.33Å; F429-M432 PolarHBondContact O-N 3.39Å; F429-M432 VanDerWaalsContact O-N 3.13Å; F429-L434 HydrophobicContact CE1-CD1 4.38Å; F429-L434 HydrophobicContact CZ-CD1 4.16Å; F429-Y442 HydrophobicContact CD2-CE1 4.32Å; F429-Y442 AromaticContact CE2-CD1 3.71Å; F429-Y442 HydrophobicContact CE2-CD1 3.71Å; F429-Y442 AromaticContact CE2-CD2 3.98Å; F429-Y442 HydrophobicContact CE2-CD2 3.98Å; F429-Y442 AromaticContact CE2-CE1 3.51Å; F429-Y442 HydrophobicContact CE2-CE1 3.51Å; F429-Y442 AromaticContact CE2-CE2 3.79Å; F429-Y442 HydrophobicContact CE2-CE2 3.79Å; F429-Y442 AromaticContact CE2-CG 3.94Å; F429-Y442 HydrophobicContact CE2-CG 3.94Å; F429-Y442 AromaticContact CE2-CZ 3.54Å; F429-Y442 AromaticContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD2 4.03Å; F429-Y442 AromaticContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE2 4.31Å; F429-Y442 AromaticContact CZ-CG 3.64Å; F429-Y442 HydrophobicContact CZ-CG 3.64Å; F429-L457 HydrophobicContact CD1-CD2 3.95Å; F429-L457 HydrophobicContact CE1-CD1 4.11Å; F429-L457 HydrophobicContact CE1-CD2 3.7Å; F429-L457 HydrophobicContact CZ-CD1 4.49Å; F429-L457 HydrophobicContact CZ-CD2 4.37Å; F429-M469 HydrophobicContact CB-CE 4.4Å; F429-M469 HydrophobicContact CD2-CE 4.27Å; F429-M469 HydrophobicContact CD2-SD 4.34Å; F429-R470 WeakPolarHBondContact CA-O 3.33Å; F429-R470 WeakPolarHBondContact CB-O 3.09Å; F429-Y471 HydrophobicContact CB-CD1 3.4Å; F429-Y471 VanDerWaalsContact CB-CD1 3.4Å; F429-Y471 HydrophobicContact CB-CE1 3.68Å; F429-Y471 HydrophobicContact CB-CG 4.15Å; F429-Y471 AromaticContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CE1 4.03Å; F429-Y471 HydrophobicContact CD2-CD1 4.2Å; F429-Y471 AromaticContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CE2-CE1 4.35Å; F429-Y471 AromaticContact CG-CD1 3.51Å; F429-Y471 HydrophobicContact CG-CD1 3.51Å; F429-Y471 AromaticContact CG-CE1 3.55Å; F429-Y471 HydrophobicContact CG-CE1 3.55Å |
| 430 | G | 87.2 | Confident | 89.9 | Confident | 58 Ų | 58 | 62 Ų | 62 | 60% | 0.598 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -133.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 431 | D | 84.8 | Confident | 90 | Very high | 181 Ų | 181 | 63 Ų | 63 | 97% | 0.968 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0 | 176.8 | -52.2 | -59.4 | 0 | 0 | 0 | 113.8 | F429 | F429-D431 PolarHBondContact O-N 3.3Š|
| 432 | M | 87.8 | Confident | 90.2 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 29% | 0.291 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 144.4 | -177.1 | -173.6 | 146.2 | 59.3 | 0 | 0 | 112.4 | T428 F429 Y442 | T428-M432 WeakPolarHBondContact CA-O 3.23Å; F429-M432 HydrophobicContact CE2-CB 4.24Å; F429-M432 HydrophobicContact CE2-CE 3.51Å; F429-M432 HydrophobicContact CE2-CG 4.42Å; F429-M432 HydrophobicContact CZ-CB 4.46Å; F429-M432 HydrophobicContact CZ-CE 3.74Å; F429-M432 HydrophobicContact CZ-CG 4.23Å; F429-M432 PolarHBondContact N-O 3.33Å; F429-M432 PolarHBondContact O-N 3.39Å; F429-M432 VanDerWaalsContact O-N 3.13Å; M432-Y442 HydrophobicContact CE-CD2 3.35Å; M432-Y442 HydrophobicContact CE-CE2 3.48Å; M432-Y442 VanDerWaalsContact CE-CE2 3.48Å; M432-Y442 HydrophobicContact CE-CG 4.23Å |
| 433 | S | 92.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.4 | 170.9 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | W427 | W427-S433 CarbonylContact O-C 3.49Å; W427-S433 VanDerWaalsContact O-CA 3.3Å; W427-S433 WeakPolarHBondContact O-CA 3.33Å |
| 434 | L | 92.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 122.4 | -177.9 | -85 | 167.8 | 0 | 0 | 0 | 110.9 | V426 W427 F429 V444 L457 | V426-L434 WeakPolarHBondContact CA-O 3.41Å; W427-L434 PolarHBondContact N-O 2.87Å; W427-L434 PolarHBondContact O-N 2.88Å; F429-L434 HydrophobicContact CE1-CD1 4.38Å; F429-L434 HydrophobicContact CZ-CD1 4.16Å; L434-V444 HydrophobicContact CB-CG2 3.76Å; L434-L457 HydrophobicContact CD1-CD1 4.36Å |
| 435 | S | 87.3 | Confident | 90.5 | Very high | 72 Ų | 72 | 54 Ų | 54 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -98.5 | -36.4 | 175 | 55 | 0 | 0 | 0 | 0 | 113.4 | I425 | I425-S435 WeakPolarHBondContact O-CA 3.48Å; I425-S435 WeakPolarHBondContact O-CB 3.46Å |
| 436 | S | 86 | Confident | 90.4 | Very high | 87 Ų | 87 | 57 Ų | 57 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -160.6 | 163.7 | -176.2 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 437 | G | 86.8 | Confident | 90.2 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72 | -150.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S443 V444 | G437-S443 CarbonylContact O-C 3.57Å; G437-S443 VanDerWaalsContact O-CA 3.27Å; G437-S443 WeakPolarHBondContact O-CA 3.5Å; G437-V444 PolarHBondContact O-N 2.88Å |
| 438 | S | 87 | Confident | 90 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 67% | 0.671 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.3 | -174.6 | 56.9 | 0 | 0 | 0 | 0 | 113 | Y442 | S438-Y442 CarbonylContact C-O 3.32Å; S438-Y442 WeakPolarHBondContact CA-O 3.43Å; S438-Y442 WeakPolarHBondContact CB-O 3.29Å |
| 439 | S | 88.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 118.8 | 170 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | R441 Y442 | S439-R441 PolarHBondContact O-N 2.81Å; S439-R441 VanDerWaalsContact O-N 3.16Å; S439-Y442 PolarHBondContact N-O 2.79Å; S439-Y442 PolarHBondContact O-N 2.83Å |
| 440 | G | 87.4 | Confident | 88.9 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -117.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y442 | G440-Y442 VanDerWaalsContact C-N 3.35Š|
| 441 | R | 90.5 | Very high | 88.3 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 22% | 0.223 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.1 | -178.9 | -50.5 | -171.2 | -50.8 | 116.9 | 16.9 | 113.7 | S439 L459 S460 E461 D466 | S439-R441 PolarHBondContact O-N 2.81Å; S439-R441 VanDerWaalsContact O-N 3.16Å; R441-L459 CarbonylContact O-C 3.35Å; R441-L459 WeakPolarHBondContact O-CA 3.36Å; R441-S460 PolarHBondContact O-N 3.03Å; R441-S460 PolarHBondContact O-OG 2.82Å; R441-E461 VanDerWaalsContact NH1-C 3.32Å; R441-E461 PolarHBondContact NH1-O 2.71Å; R441-E461 IonicContact NH1-OE2 3.51Å; R441-D466 IonicContact CZ-OD2 3.99Å; R441-D466 IonicContact NH1-OD2 2.91Å; R441-D466 IonicContact NH2-OD1 3.76Å; R441-D466 PolarHBondContact NH2-OD1 3Å; R441-D466 VanDerWaalsContact NH2-OD1 3.17Å; R441-D466 IonicContact NH2-OD2 3.78Å; R441-D466 PolarHBondContact NH2-OD2 2.84Å |
| 442 | Y | 93.3 | Very high | 88.4 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.1 | -171.5 | -55.9 | -85.7 | 0 | 0 | 0 | 111.2 | F429 M432 S438 S439 G440 L457 L459 D466 | F429-Y442 HydrophobicContact CD2-CE1 4.32Å; F429-Y442 AromaticContact CE2-CD1 3.71Å; F429-Y442 HydrophobicContact CE2-CD1 3.71Å; F429-Y442 AromaticContact CE2-CD2 3.98Å; F429-Y442 HydrophobicContact CE2-CD2 3.98Å; F429-Y442 AromaticContact CE2-CE1 3.51Å; F429-Y442 HydrophobicContact CE2-CE1 3.51Å; F429-Y442 AromaticContact CE2-CE2 3.79Å; F429-Y442 HydrophobicContact CE2-CE2 3.79Å; F429-Y442 AromaticContact CE2-CG 3.94Å; F429-Y442 HydrophobicContact CE2-CG 3.94Å; F429-Y442 AromaticContact CE2-CZ 3.54Å; F429-Y442 AromaticContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD2 4.03Å; F429-Y442 AromaticContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE2 4.31Å; F429-Y442 AromaticContact CZ-CG 3.64Å; F429-Y442 HydrophobicContact CZ-CG 3.64Å; M432-Y442 HydrophobicContact CE-CD2 3.35Å; M432-Y442 HydrophobicContact CE-CE2 3.48Å; M432-Y442 VanDerWaalsContact CE-CE2 3.48Å; M432-Y442 HydrophobicContact CE-CG 4.23Å; S438-Y442 CarbonylContact C-O 3.32Å; S438-Y442 WeakPolarHBondContact CA-O 3.43Å; S438-Y442 WeakPolarHBondContact CB-O 3.29Å; S439-Y442 PolarHBondContact N-O 2.79Å; S439-Y442 PolarHBondContact O-N 2.83Å; G440-Y442 VanDerWaalsContact C-N 3.35Å; Y442-L457 HydrophobicContact CD1-CD1 4.49Å; Y442-L459 HydrophobicContact CD1-CD1 4.21Å; Y442-L459 HydrophobicContact CD1-CD2 4.45Å; Y442-L459 HydrophobicContact CD1-CG 3.78Å; Y442-L459 HydrophobicContact CE1-CD1 4.37Å; Y442-L459 HydrophobicContact CE1-CD2 3.91Å; Y442-L459 HydrophobicContact CE1-CG 3.74Å; Y442-D466 PolarHBondContact OH-OD1 2.83Å |
| 443 | S | 92.9 | Very high | 88.6 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 22% | 0.217 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.6 | 173.5 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | G437 V458 | G437-S443 CarbonylContact O-C 3.57Å; G437-S443 VanDerWaalsContact O-CA 3.27Å; G437-S443 WeakPolarHBondContact O-CA 3.5Å; S443-V458 PolarHBondContact N-O 3.22Å; S443-V458 PolarHBondContact O-N 2.9Å; S443-V458 PolarHBondContact OG-O 3.46Å |
| 444 | V | 95 | Very high | 88.6 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | W427 L434 G437 T446 S456 L457 | W427-V444 HydrophobicContact CG-CG2 4.5Å; L434-V444 HydrophobicContact CB-CG2 3.76Å; G437-V444 PolarHBondContact O-N 2.88Å; V444-T446 HydrophobicContact CG1-CG2 4.46Å; V444-S456 WeakPolarHBondContact CA-O 3.35Å; V444-L457 HydrophobicContact CG2-CD1 3.84Å |
| 445 | Q | 92.2 | Very high | 88.7 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.9 | 176.7 | -59.9 | -178.6 | -15.4 | 0 | 0 | 108.7 | S456 | Q445-S456 PolarHBondContact N-O 2.82Å; Q445-S456 WeakPolarHBondContact O-CB 3.36Å; Q445-S456 PolarHBondContact O-N 3.09Å |
| 446 | T | 91.4 | Very high | 89 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.8 | 178.1 | 46.9 | 0 | 0 | 0 | 0 | 110.7 | V444 V453 L454 | V444-T446 HydrophobicContact CG1-CG2 4.46Å; T446-V453 HydrophobicContact CG2-CG1 4.42Å; T446-L454 CarbonylContact C-O 3.6Å; T446-L454 WeakPolarHBondContact CA-O 3.36Å |
| 447 | V | 91.3 | Very high | 89.4 | Confident | 80 Ų | 80 | 58 Ų | 58 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.6 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | T449 L454 | V447-T449 HydrophobicContact CG1-CG2 4.25Å; V447-L454 PolarHBondContact N-O 2.91Å; V447-L454 PolarHBondContact O-N 3.49Å |
| 448 | T | 89.1 | Confident | 89.8 | Confident | 119 Ų | 119 | 56.4 Ų | 56.4 | 73% | 0.73 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 133.7 | 170.9 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 449 | T | 85.4 | Confident | 90.1 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 165.3 | 177.3 | 69.7 | 0 | 0 | 0 | 0 | 109.7 | V447 H451 G452 | V447-T449 HydrophobicContact CG1-CG2 4.25Å; T449-H451 PolarHBondContact O-N 3.48Å; T449-G452 WeakPolarHBondContact CA-O 3.29Å; T449-G452 PolarHBondContact N-O 2.99Å; T449-G452 PolarHBondContact O-N 2.85Å; T449-G452 VanDerWaalsContact O-O 3.06Å; T449-G452 PolarHBondContact OG1-O 2.92Å |
| 450 | D | 77.6 | Confident | 90.2 | Very high | 165 Ų | 165 | 53.1 Ų | 53.1 | 88% | 0.882 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12 | 179.8 | -48.3 | -49.2 | 0 | 0 | 0 | 113.5 | ||
| 451 | H | 75.8 | Confident | 90.4 | Very high | 163 Ų | 163 | 52.5 Ų | 52.5 | 76% | 0.755 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 19.3 | 176.3 | -55.4 | -32 | 0 | 0 | 0 | 113 | T449 | T449-H451 PolarHBondContact O-N 3.48Š|
| 452 | G | 85.6 | Confident | 90.3 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -167.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V416 T449 | V416-G452 WeakPolarHBondContact O-CA 3.46Å; T449-G452 WeakPolarHBondContact CA-O 3.29Å; T449-G452 PolarHBondContact N-O 2.99Å; T449-G452 PolarHBondContact O-N 2.85Å; T449-G452 VanDerWaalsContact O-O 3.06Å; T449-G452 PolarHBondContact OG1-O 2.92Å |
| 453 | V | 92.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.9 | -173.9 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | V416 P422 I425 T446 | V416-V453 PolarHBondContact N-O 2.75Å; V416-V453 PolarHBondContact O-N 2.89Å; P422-V453 HydrophobicContact CG-CG2 4.2Å; I425-V453 HydrophobicContact CD1-CB 3.92Å; I425-V453 HydrophobicContact CD1-CG1 3.64Å; T446-V453 HydrophobicContact CG2-CG1 4.42Å |
| 454 | L | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.1 | 168.9 | -179.8 | 68 | 0 | 0 | 0 | 109.1 | E413 R415 T446 V447 | E413-L454 HydrophobicContact CB-CD1 4.19Å; R415-L454 HydrophobicContact CG-CD1 3.64Å; T446-L454 CarbonylContact C-O 3.6Å; T446-L454 WeakPolarHBondContact CA-O 3.36Å; V447-L454 PolarHBondContact N-O 2.91Å; V447-L454 PolarHBondContact O-N 3.49Å |
| 455 | S | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.8 | 172.2 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | E413 C414 W427 | E413-S455 WeakPolarHBondContact CA-O 3.4Å; C414-S455 PolarHBondContact N-O 2.94Å; C414-S455 PolarHBondContact O-N 2.89Å; W427-S455 PolarHBondContact NE1-OG 2.8Å |
| 456 | S | 94.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 113.4 | -175.3 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | K411 L412 V444 Q445 | K411-S456 WeakPolarHBondContact CE-OG 3.48Å; K411-S456 PolarHBondContact NZ-OG 2.81Å; L412-S456 CarbonylContact O-C 3.44Å; L412-S456 VanDerWaalsContact O-CA 3.29Å; L412-S456 WeakPolarHBondContact O-CA 3.48Å; V444-S456 WeakPolarHBondContact CA-O 3.35Å; Q445-S456 PolarHBondContact N-O 2.82Å; Q445-S456 WeakPolarHBondContact O-CB 3.36Å; Q445-S456 PolarHBondContact O-N 3.09Å |
| 457 | L | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.1 | 165.8 | 177.9 | 68.8 | 0 | 0 | 0 | 108.7 | K411 L412 W427 F429 L434 Y442 V444 L459 Y471 | K411-L457 WeakPolarHBondContact CA-O 3.24Å; L412-L457 HydrophobicContact CB-CB 4.22Å; L412-L457 HydrophobicContact CD1-CD2 4.05Å; L412-L457 PolarHBondContact N-O 2.7Å; L412-L457 PolarHBondContact O-N 2.74Å; W427-L457 HydrophobicContact CB-CD1 4.43Å; W427-L457 HydrophobicContact CB-CD2 4.16Å; W427-L457 HydrophobicContact CD2-CB 3.63Å; W427-L457 HydrophobicContact CD2-CD2 4.14Å; W427-L457 HydrophobicContact CD2-CG 4.46Å; W427-L457 HydrophobicContact CE3-CB 4.15Å; W427-L457 HydrophobicContact CE3-CD2 4.08Å; W427-L457 HydrophobicContact CG-CB 3.81Å; W427-L457 HydrophobicContact CG-CD2 4.21Å; W427-L457 HydrophobicContact CG-CG 4.4Å; W427-L457 HydrophobicContact CZ2-CB 4.15Å; F429-L457 HydrophobicContact CD1-CD2 3.95Å; F429-L457 HydrophobicContact CE1-CD1 4.11Å; F429-L457 HydrophobicContact CE1-CD2 3.7Å; F429-L457 HydrophobicContact CZ-CD1 4.49Å; F429-L457 HydrophobicContact CZ-CD2 4.37Å; L434-L457 HydrophobicContact CD1-CD1 4.36Å; Y442-L457 HydrophobicContact CD1-CD1 4.49Å; V444-L457 HydrophobicContact CG2-CD1 3.84Å; L457-L459 HydrophobicContact CG-CD1 4.26Å; L457-Y471 HydrophobicContact CD2-CD1 3.54Å; L457-Y471 HydrophobicContact CD2-CE1 3.95Å; L457-Y471 HydrophobicContact CD2-CG 4.49Å |
| 458 | V | 93.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.8 | -177.9 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | K409 K411 S443 | K409-V458 HydrophobicContact CD-CG1 4.41Å; K409-V458 HydrophobicContact CG-CG1 4.26Å; K411-V458 HydrophobicContact CG-CG2 4.19Å; S443-V458 PolarHBondContact N-O 3.22Å; S443-V458 PolarHBondContact O-N 2.9Å; S443-V458 PolarHBondContact OG-O 3.46Å |
| 459 | L | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.5 | 172.8 | -71.8 | 72.6 | 0 | 0 | 0 | 108.1 | K409 G410 L412 R441 Y442 L457 E461 T462 D466 L488 | K409-L459 CarbonylContact C-O 3.55Å; K409-L459 WeakPolarHBondContact CA-O 3.14Å; K409-L459 WeakPolarHBondContact CG-O 3.23Å; G410-L459 PolarHBondContact N-O 3.01Å; G410-L459 PolarHBondContact O-N 3.06Å; L412-L459 HydrophobicContact CD1-CD1 4.04Å; R441-L459 CarbonylContact O-C 3.35Å; R441-L459 WeakPolarHBondContact O-CA 3.36Å; Y442-L459 HydrophobicContact CD1-CD1 4.21Å; Y442-L459 HydrophobicContact CD1-CD2 4.45Å; Y442-L459 HydrophobicContact CD1-CG 3.78Å; Y442-L459 HydrophobicContact CE1-CD1 4.37Å; Y442-L459 HydrophobicContact CE1-CD2 3.91Å; Y442-L459 HydrophobicContact CE1-CG 3.74Å; L457-L459 HydrophobicContact CG-CD1 4.26Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.02Å; L459-T462 HydrophobicContact CD2-CG2 4.31Å; L459-D466 HydrophobicContact CD2-CB 3.98Å; L459-L488 HydrophobicContact CD2-CD2 4.35Å |
| 460 | S | 90.5 | Very high | 89.5 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -66.3 | -30.9 | 177.8 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | R441 | R441-S460 PolarHBondContact O-N 3.03Å; R441-S460 PolarHBondContact O-OG 2.82Å |
| 461 | E | 90.8 | Very high | 90.3 | Very high | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -146.5 | 149.1 | 173.8 | -176.7 | -161.5 | -172.3 | 0 | 0 | 108.4 | H407 S408 R441 L459 | H407-E461 IonicContact CE1-OE1 3.52Å; H407-E461 IonicContact CG-OE1 2.79Å; H407-E461 IonicContact ND1-OE1 2.62Å; H407-E461 PolarHBondContact ND1-OE1 2.82Å; S408-E461 CarbonylContact O-C 3.49Å; S408-E461 VanDerWaalsContact O-CA 3.27Å; S408-E461 WeakPolarHBondContact O-CA 3.3Å; R441-E461 VanDerWaalsContact NH1-C 3.32Å; R441-E461 PolarHBondContact NH1-O 2.71Å; R441-E461 IonicContact NH1-OE2 3.51Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.02Å |
| 462 | T | 90.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -103.3 | 129.4 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | A404 V405 K406 H407 S408 L459 D466 F467 L488 | A404-T462 HydrophobicContact CB-CG2 3.96Å; V405-T462 PolarHBondContact O-OG1 2.89Å; K406-T462 WeakPolarHBondContact CA-OG1 3.44Å; H407-T462 WeakPolarHBondContact CA-O 3.36Å; H407-T462 PolarHBondContact N-O 2.87Å; H407-T462 PolarHBondContact N-OG1 3.24Å; S408-T462 PolarHBondContact N-OG1 3.22Å; S408-T462 VanDerWaalsContact N-OG1 3.14Å; S408-T462 PolarHBondContact O-N 2.74Å; S408-T462 PolarHBondContact O-OG1 2.84Å; S408-T462 VanDerWaalsContact O-OG1 3.08Å; L459-T462 HydrophobicContact CD2-CG2 4.31Å; T462-D466 WeakPolarHBondContact CA-OD2 3.39Å; T462-F467 HydrophobicContact CG2-CZ 4.21Å; T462-L488 HydrophobicContact CG2-CD2 4.15Å | ||
| 463 | L | 91.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | trans | -110.6 | 163.8 | 175 | -66.3 | 174.5 | 0 | 0 | 0 | 111.4 | Q465 D466 F467 | L463-Q465 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact O-N 3.11Å; L463-D466 PolarHBondContact N-OD2 3.39Å; L463-D466 WeakPolarHBondContact O-CB 3.4Å; L463-D466 PolarHBondContact O-N 2.89Å; L463-F467 VanDerWaalsContact O-CD2 3.32Å; L463-F467 WeakPolarHBondContact O-CD2 3.5Å | ||
| 464 | V | 87.1 | Confident | 91.7 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 44% | 0.436 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.1 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | K406 | K406-V464 HydrophobicContact CD-CG2 4.23Å; K406-V464 VanDerWaalsContact CE-CG2 3.47Å |
| 465 | Q | 87.3 | Confident | 91.8 | Very high | 141 Ų | 141 | 43.3 Ų | 43.3 | 66% | 0.659 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -38.5 | 177.9 | -67.1 | 176.3 | -7 | 0 | 0 | 112.1 | L463 F467 Q468 M469 | L463-Q465 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact O-N 3.11Å; Q465-F467 PolarHBondContact O-N 2.82Å; Q465-Q468 WeakPolarHBondContact O-CA 3.48Å; Q465-Q468 PolarHBondContact O-N 2.8Å; Q465-M469 WeakPolarHBondContact O-CG 3.32Å; Q465-M469 PolarHBondContact O-N 2.98Å; Q465-M469 VanDerWaalsContact O-N 3.15Å |
| 466 | D | 89.8 | Confident | 91.8 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -61 | -35.1 | -176.8 | -54.9 | -23.5 | 0 | 0 | 0 | 111 | R441 Y442 L459 T462 L463 Q468 M469 Y471 L488 | R441-D466 IonicContact CZ-OD2 3.99Å; R441-D466 IonicContact NH1-OD2 2.91Å; R441-D466 IonicContact NH2-OD1 3.76Å; R441-D466 PolarHBondContact NH2-OD1 3Å; R441-D466 VanDerWaalsContact NH2-OD1 3.17Å; R441-D466 IonicContact NH2-OD2 3.78Å; R441-D466 PolarHBondContact NH2-OD2 2.84Å; Y442-D466 PolarHBondContact OH-OD1 2.83Å; L459-D466 HydrophobicContact CD2-CB 3.98Å; T462-D466 WeakPolarHBondContact CA-OD2 3.39Å; L463-D466 PolarHBondContact N-OD2 3.39Å; L463-D466 WeakPolarHBondContact O-CB 3.4Å; L463-D466 PolarHBondContact O-N 2.89Å; D466-Q468 PolarHBondContact O-N 2.77Å; D466-M469 PolarHBondContact O-N 2.86Å; D466-Y471 WeakPolarHBondContact CA-OH 3.27Å; D466-Y471 WeakPolarHBondContact CB-OH 3.48Å; D466-Y471 WeakPolarHBondContact O-CE2 3.4Å; D466-Y471 PolarHBondContact O-OH 2.83Å; D466-L488 HydrophobicContact CB-CD2 4.41Å |
| 467 | F | 89.9 | Confident | 91.7 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -73.5 | -6.6 | 175.1 | -55.7 | -61.4 | 0 | 0 | 0 | 114.9 | A404 K406 T462 L463 Q465 L488 E490 | A404-F467 HydrophobicContact CB-CE1 4.37Å; A404-F467 WeakPolarHBondContact O-CE1 3.16Å; A404-F467 WeakPolarHBondContact O-CZ 3.39Å; K406-F467 HydrophobicContact CB-CE2 3.81Å; K406-F467 HydrophobicContact CB-CZ 4.2Å; K406-F467 HydrophobicContact CG-CE2 4.14Å; T462-F467 HydrophobicContact CG2-CZ 4.21Å; L463-F467 VanDerWaalsContact O-CD2 3.32Å; L463-F467 WeakPolarHBondContact O-CD2 3.5Å; Q465-F467 PolarHBondContact O-N 2.82Å; F467-L488 WeakPolarHBondContact CA-O 3.44Å; F467-L488 HydrophobicContact CD1-CB 4.3Å; F467-L488 HydrophobicContact CD1-CD2 3.82Å; F467-L488 HydrophobicContact CD1-CG 3.74Å; F467-L488 HydrophobicContact CE1-CD2 3.7Å; F467-L488 HydrophobicContact CE1-CG 3.81Å; F467-E490 HydrophobicContact CD1-CB 4.1Å; F467-E490 HydrophobicContact CD2-CB 3.96Å; F467-E490 HydrophobicContact CD2-CG 4.4Å; F467-E490 HydrophobicContact CE1-CB 4.14Å; F467-E490 HydrophobicContact CE2-CB 4.02Å; F467-E490 HydrophobicContact CE2-CG 4.06Å; F467-E490 HydrophobicContact CG-CB 4Å; F467-E490 HydrophobicContact CZ-CB 4.09Å; F467-E490 HydrophobicContact CZ-CG 4.2Å |
| 468 | Q | 87.2 | Confident | 91.6 | Very high | 161 Ų | 161 | 55 Ų | 55 | 75% | 0.752 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -108.3 | -10.3 | 173.8 | -60.1 | -176.7 | 2.2 | 0 | 0 | 111.9 | Q465 D466 | Q465-Q468 WeakPolarHBondContact O-CA 3.48Å; Q465-Q468 PolarHBondContact O-N 2.8Å; D466-Q468 PolarHBondContact O-N 2.77Å |
| 469 | M | 88.8 | Confident | 91.4 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | trans | -76.7 | 158.5 | 175.3 | -63.1 | -162.3 | 87.3 | 0 | 0 | 112 | F429 Q465 D466 Y471 | F429-M469 HydrophobicContact CB-CE 4.4Å; F429-M469 HydrophobicContact CD2-CE 4.27Å; F429-M469 HydrophobicContact CD2-SD 4.34Å; Q465-M469 WeakPolarHBondContact O-CG 3.32Å; Q465-M469 PolarHBondContact O-N 2.98Å; Q465-M469 VanDerWaalsContact O-N 3.15Å; D466-M469 PolarHBondContact O-N 2.86Å; M469-Y471 HydrophobicContact CB-CE2 3.88Å | ||
| 470 | R | 91.4 | Very high | 91.2 | Very high | 173 Ų | 173 | 58.6 Ų | 58.6 | 65% | 0.653 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.7 | 171.3 | -72.8 | -179.1 | -175 | -173.5 | 1.7 | 108.3 | F429 L485 T487 | F429-R470 WeakPolarHBondContact CA-O 3.33Å; F429-R470 WeakPolarHBondContact CB-O 3.09Å; R470-L485 HydrophobicContact CB-CD1 3.86Å; R470-L485 HydrophobicContact CG-CD1 4.22Å; R470-T487 HydrophobicContact CG-CG2 4.49Å |
| 471 | Y | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.2 | -177.7 | -60.3 | -90.3 | 0 | 0 | 0 | 108.9 | L412 F429 L457 D466 M469 V486 L488 | L412-Y471 HydrophobicContact CD1-CD1 3.74Å; L412-Y471 HydrophobicContact CD1-CD2 3.61Å; L412-Y471 HydrophobicContact CD1-CE1 3.98Å; L412-Y471 HydrophobicContact CD1-CE2 3.84Å; L412-Y471 HydrophobicContact CD1-CG 3.56Å; F429-Y471 HydrophobicContact CB-CD1 3.4Å; F429-Y471 VanDerWaalsContact CB-CD1 3.4Å; F429-Y471 HydrophobicContact CB-CE1 3.68Å; F429-Y471 HydrophobicContact CB-CG 4.15Å; F429-Y471 AromaticContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CE1 4.03Å; F429-Y471 HydrophobicContact CD2-CD1 4.2Å; F429-Y471 AromaticContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CE2-CE1 4.35Å; F429-Y471 AromaticContact CG-CD1 3.51Å; F429-Y471 HydrophobicContact CG-CD1 3.51Å; F429-Y471 AromaticContact CG-CE1 3.55Å; F429-Y471 HydrophobicContact CG-CE1 3.55Å; L457-Y471 HydrophobicContact CD2-CD1 3.54Å; L457-Y471 HydrophobicContact CD2-CE1 3.95Å; L457-Y471 HydrophobicContact CD2-CG 4.49Å; D466-Y471 WeakPolarHBondContact CA-OH 3.27Å; D466-Y471 WeakPolarHBondContact CB-OH 3.48Å; D466-Y471 WeakPolarHBondContact O-CE2 3.4Å; D466-Y471 PolarHBondContact O-OH 2.83Å; M469-Y471 HydrophobicContact CB-CE2 3.88Å; Y471-V486 PolarHBondContact N-O 2.82Å; Y471-V486 PolarHBondContact O-N 2.9Å; Y471-L488 HydrophobicContact CE2-CB 4.09Å |
| 472 | N | 94.8 | Very high | 91.4 | Very high | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.9 | 172.1 | -57.4 | -53.8 | 0 | 0 | 0 | 108.6 | W427 T428 T483 A484 L485 | W427-N472 CarbonylContact C-O 3.57Å; W427-N472 VanDerWaalsContact CA-O 3.29Å; W427-N472 WeakPolarHBondContact CA-O 3.4Å; T428-N472 PolarHBondContact N-O 3.28Å; T428-N472 PolarHBondContact O-N 2.97Å; T428-N472 PolarHBondContact OG1-ND2 3.31Å; N472-T483 HydrophobicContact CB-CG2 3.89Å; N472-A484 WeakPolarHBondContact CA-O 3.49Å; N472-L485 WeakPolarHBondContact OD1-CD1 3.41Å |
| 473 | C | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 109.9 | 160.4 | 168.6 | 0 | 0 | 0 | 0 | 107.6 | I396 C414 W427 T483 A484 | I396-C473 VanDerWaalsContact CD1-O 3.25Å; I396-C473 WeakPolarHBondContact CD1-O 3.34Å; I396-C473 HydrophobicContact CG2-CB 4.5Å; C414-C473 HydrophobicContact CB-CB 3.61Å; C414-C473 WeakPolarHBondContact CB-SG 3.23Å; C414-C473 WeakPolarHBondContact SG-CB 3.23Å; C414-C473 CovalentContact SG-SG 2.03Å; C414-C473 PolarHBondContact SG-SG 2.83Å; W427-C473 HydrophobicContact CD2-CB 4.09Å; W427-C473 HydrophobicContact CE3-CB 3.91Å; W427-C473 HydrophobicContact CH2-CB 3.84Å; W427-C473 HydrophobicContact CZ2-CB 4Å; W427-C473 HydrophobicContact CZ3-CB 3.79Å; C473-T483 CarbonylContact O-C 3.57Å; C473-T483 WeakPolarHBondContact O-CA 3.21Å; C473-A484 PolarHBondContact N-O 3.05Å; C473-A484 PolarHBondContact O-N 3.32Å |
| 474 | T | 94.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.7 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | I425 V426 W476 G482 T483 | I425-T474 CarbonylContact C-O 3.54Å; I425-T474 WeakPolarHBondContact CA-O 3.36Å; V426-T474 PolarHBondContact N-O 2.87Å; V426-T474 PolarHBondContact O-N 2.96Å; T474-W476 HydrophobicContact CG2-CD2 4.06Å; T474-W476 HydrophobicContact CG2-CE3 3.84Å; T474-W476 HydrophobicContact CG2-CH2 3.21Å; T474-W476 HydrophobicContact CG2-CZ2 3.45Å; T474-W476 VanDerWaalsContact CG2-CZ2 3.45Å; T474-W476 HydrophobicContact CG2-CZ3 3.4Å; T474-W476 WeakPolarHBondContact O-CZ3 3.42Å; T474-G482 VanDerWaalsContact CA-O 3.32Å; T474-G482 WeakPolarHBondContact CA-O 3.48Å; T474-G482 VanDerWaalsContact CG2-O 3.31Å; T474-G482 WeakPolarHBondContact CG2-O 3.07Å; T474-T483 VanDerWaalsContact CG2-OG1 3.29Å; T474-T483 WeakPolarHBondContact CG2-OG1 3.47Å; T474-T483 WeakPolarHBondContact OG1-CG2 3.39Å; T474-T483 PolarHBondContact OG1-OG1 2.99Å |
| 475 | A | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P394 I396 V416 K424 I425 T481 G482 | P394-A475 HydrophobicContact CB-CB 3.89Å; P394-A475 HydrophobicContact CG-CB 4.23Å; I396-A475 HydrophobicContact CD1-CB 3.7Å; I396-A475 HydrophobicContact CG1-CB 4.31Å; V416-A475 HydrophobicContact CG1-CB 3.59Å; V416-A475 HydrophobicContact CG2-CB 4.07Å; K424-A475 WeakPolarHBondContact O-CA 3.47Å; I425-A475 HydrophobicContact CG1-CB 4.07Å; A475-T481 CarbonylContact O-C 3.57Å; A475-T481 VanDerWaalsContact O-CA 3.3Å; A475-T481 WeakPolarHBondContact O-CA 3.36Å; A475-G482 PolarHBondContact N-O 2.69Å; A475-G482 PolarHBondContact O-N 3.16Å |
| 476 | W | 93.6 | Very high | 92.3 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 27% | 0.265 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.6 | -178.5 | -64.2 | -112.5 | 0 | 0 | 0 | 110 | P422 D423 K424 V426 T474 G480 T481 | P422-W476 CarbonylContact C-O 3.59Å; P422-W476 WeakPolarHBondContact CA-O 3.45Å; D423-W476 PolarHBondContact N-O 2.56Å; K424-W476 HydrophobicContact CD-CB 4.47Å; K424-W476 HydrophobicContact CD-CD2 4.13Å; K424-W476 HydrophobicContact CD-CE3 4.1Å; K424-W476 HydrophobicContact CD-CG 4.31Å; K424-W476 VanDerWaalsContact CE-CD2 3.44Å; K424-W476 HydrophobicContact CG-CB 3.82Å; K424-W476 HydrophobicContact CG-CD2 4.02Å; K424-W476 HydrophobicContact CG-CE3 3.76Å; K424-W476 HydrophobicContact CG-CG 4.08Å; K424-W476 PolarHBondContact O-N 3.32Å; V426-W476 HydrophobicContact CB-CH2 3.84Å; V426-W476 HydrophobicContact CB-CZ3 3.58Å; V426-W476 HydrophobicContact CG2-CE3 4.29Å; V426-W476 HydrophobicContact CG2-CH2 3.8Å; V426-W476 HydrophobicContact CG2-CZ3 3.39Å; T474-W476 HydrophobicContact CG2-CD2 4.06Å; T474-W476 HydrophobicContact CG2-CE3 3.84Å; T474-W476 HydrophobicContact CG2-CH2 3.21Å; T474-W476 HydrophobicContact CG2-CZ2 3.45Å; T474-W476 VanDerWaalsContact CG2-CZ2 3.45Å; T474-W476 HydrophobicContact CG2-CZ3 3.4Å; T474-W476 WeakPolarHBondContact O-CZ3 3.42Å; W476-G480 WeakPolarHBondContact CA-O 3.49Å; W476-T481 HydrophobicContact CG-CG2 3.93Å |
| 477 | N | 93.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | -178.4 | 158.8 | 74.3 | 12.6 | 0 | 0 | 0 | 109.8 | G392 P394 S418 P420 D423 F479 G480 | G392-N477 PolarHBondContact O-ND2 2.99Å; P394-N477 HydrophobicContact CG-CB 3.98Å; S418-N477 PolarHBondContact OG-ND2 2.95Å; S418-N477 VanDerWaalsContact OG-ND2 3.08Å; P420-N477 PolarHBondContact O-ND2 2.95Å; D423-N477 WeakPolarHBondContact OD2-CA 3.46Å; N477-F479 PolarHBondContact O-N 2.96Å; N477-F479 WeakPolarHBondContact OD1-CB 3.33Å; N477-F479 PolarHBondContact OD1-N 2.87Å; N477-G480 PolarHBondContact N-O 2.9Å; N477-G480 PolarHBondContact O-N 2.82Å; N477-G480 VanDerWaalsContact O-N 3.08Å; N477-G480 PolarHBondContact OD1-N 3.3Å |
| 478 | R | 91.8 | Very high | 92.5 | Very high | 170 Ų | 170 | 52.1 Ų | 52.1 | 64% | 0.642 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -14.3 | 178.2 | 73.9 | 177.2 | -73.2 | -102.8 | 1 | 116.6 | D321 P420 D423 | D321-R478 IonicContact OD1-NH1 3.95Å; D321-R478 IonicContact OD2-CZ 2.7Å; D321-R478 IonicContact OD2-NH1 3.92Å; D321-R478 PolarHBondContact OD2-NH1 2.95Å; P420-R478 HydrophobicContact CG-CG 4.1Å; D423-R478 PolarHBondContact OD2-N 2.69Å; D423-R478 VanDerWaalsContact OD2-N 3.15Å |
| 479 | F | 89.6 | Confident | 92.7 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -16.1 | 179.9 | -65.8 | -90.3 | 0 | 0 | 0 | 114 | D321 I322 N391 P420 N477 | D321-F479 HydrophobicContact CB-CE1 3.85Å; D321-F479 HydrophobicContact CB-CZ 4.15Å; D321-F479 WeakPolarHBondContact OD1-CZ 3.47Å; D321-F479 WeakPolarHBondContact OD2-CE1 3.44Å; D321-F479 VanDerWaalsContact OD2-CZ 3.24Å; D321-F479 WeakPolarHBondContact OD2-CZ 3.32Å; I322-F479 HydrophobicContact CG2-CD1 4.32Å; N391-F479 HydrophobicContact CB-CD2 4.43Å; N391-F479 HydrophobicContact CB-CE1 4.18Å; N391-F479 HydrophobicContact CB-CE2 3.58Å; N391-F479 HydrophobicContact CB-CZ 3.39Å; P420-F479 HydrophobicContact CG-CD2 4.31Å; P420-F479 HydrophobicContact CG-CE2 3.96Å; N477-F479 PolarHBondContact O-N 2.96Å; N477-F479 WeakPolarHBondContact OD1-CB 3.33Å; N477-F479 PolarHBondContact OD1-N 2.87Å |
| 480 | G | 90.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | -149.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W476 N477 | W476-G480 WeakPolarHBondContact CA-O 3.49Å; N477-G480 PolarHBondContact N-O 2.9Å; N477-G480 PolarHBondContact O-N 2.82Å; N477-G480 VanDerWaalsContact O-N 3.08Å; N477-G480 PolarHBondContact OD1-N 3.3Å |
| 481 | T | 92.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.5 | -166 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | A475 W476 | A475-T481 CarbonylContact O-C 3.57Å; A475-T481 VanDerWaalsContact O-CA 3.3Å; A475-T481 WeakPolarHBondContact O-CA 3.36Å; W476-T481 HydrophobicContact CG-CG2 3.93Å |
| 482 | G | 91.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 149.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P394 I396 T474 A475 | P394-G482 VanDerWaalsContact O-CA 3.25Å; P394-G482 WeakPolarHBondContact O-CA 3.17Å; I396-G482 VanDerWaalsContact CD1-C 3.44Å; I396-G482 VanDerWaalsContact CD1-O 3.31Å; I396-G482 WeakPolarHBondContact CD1-O 3.32Å; T474-G482 VanDerWaalsContact CA-O 3.32Å; T474-G482 WeakPolarHBondContact CA-O 3.48Å; T474-G482 VanDerWaalsContact CG2-O 3.31Å; T474-G482 WeakPolarHBondContact CG2-O 3.07Å; A475-G482 PolarHBondContact N-O 2.69Å; A475-G482 PolarHBondContact O-N 3.16Å |
| 483 | T | 93.4 | Very high | 90 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.5 | 168.1 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | N472 C473 T474 | N472-T483 HydrophobicContact CB-CG2 3.89Å; C473-T483 CarbonylContact O-C 3.57Å; C473-T483 WeakPolarHBondContact O-CA 3.21Å; T474-T483 VanDerWaalsContact CG2-OG1 3.29Å; T474-T483 WeakPolarHBondContact CG2-OG1 3.47Å; T474-T483 WeakPolarHBondContact OG1-CG2 3.39Å; T474-T483 PolarHBondContact OG1-OG1 2.99Å |
| 484 | A | 93.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | I396 A398 N472 C473 | I396-A484 HydrophobicContact CB-CB 3.96Å; I396-A484 HydrophobicContact CG2-CB 3.5Å; I396-A484 VanDerWaalsContact CG2-CB 3.5Å; A398-A484 HydrophobicContact CB-CB 4.11Å; N472-A484 WeakPolarHBondContact CA-O 3.49Å; C473-A484 PolarHBondContact N-O 3.05Å; C473-A484 PolarHBondContact O-N 3.32Å |
| 485 | L | 93.7 | Very high | 86.7 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 45% | 0.445 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.2 | 172.5 | 177.2 | 68.3 | 0 | 0 | 0 | 109.5 | R470 N472 | R470-L485 HydrophobicContact CB-CD1 3.86Å; R470-L485 HydrophobicContact CG-CD1 4.22Å; N472-L485 WeakPolarHBondContact OD1-CD1 3.41Å |
| 486 | V | 94.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.7 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | A398 Q402 L412 W427 Y471 | A398-V486 HydrophobicContact CB-CG2 3.81Å; Q402-V486 HydrophobicContact CB-CG1 4.39Å; Q402-V486 HydrophobicContact CG-CG1 4.09Å; L412-V486 HydrophobicContact CD2-CB 4.38Å; L412-V486 HydrophobicContact CD2-CG1 3.44Å; L412-V486 VanDerWaalsContact CD2-CG1 3.44Å; W427-V486 HydrophobicContact CH2-CG2 4.24Å; W427-V486 HydrophobicContact CZ3-CB 4.34Å; W427-V486 HydrophobicContact CZ3-CG2 4.14Å; Y471-V486 PolarHBondContact N-O 2.82Å; Y471-V486 PolarHBondContact O-N 2.9Å |
| 487 | T | 91.9 | Very high | 82.8 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 23% | 0.233 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | A400 T401 Q402 R470 | A400-T487 PolarHBondContact O-N 2.87Å; A400-T487 PolarHBondContact O-OG1 2.91Å; T401-T487 WeakPolarHBondContact CA-O 3.42Å; T401-T487 PolarHBondContact OG1-OG1 2.87Å; Q402-T487 PolarHBondContact N-O 3.35Å; R470-T487 HydrophobicContact CG-CG2 4.49Å |
| 488 | L | 91.9 | Very high | 81 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.7 | 172.2 | -167.3 | 70.1 | 0 | 0 | 0 | 108.4 | Q402 A404 L412 L459 T462 D466 F467 Y471 | Q402-L488 CarbonylContact O-C 3.57Å; Q402-L488 WeakPolarHBondContact O-CA 3.41Å; A404-L488 HydrophobicContact CB-CD1 3.95Å; A404-L488 HydrophobicContact CB-CD2 4.44Å; A404-L488 HydrophobicContact CB-CG 4.49Å; L412-L488 HydrophobicContact CD2-CB 4.18Å; L412-L488 HydrophobicContact CD2-CD1 3.9Å; L412-L488 HydrophobicContact CG-CD1 4.18Å; L459-L488 HydrophobicContact CD2-CD2 4.35Å; T462-L488 HydrophobicContact CG2-CD2 4.15Å; D466-L488 HydrophobicContact CB-CD2 4.41Å; F467-L488 WeakPolarHBondContact CA-O 3.44Å; F467-L488 HydrophobicContact CD1-CB 4.3Å; F467-L488 HydrophobicContact CD1-CD2 3.82Å; F467-L488 HydrophobicContact CD1-CG 3.74Å; F467-L488 HydrophobicContact CE1-CD2 3.7Å; F467-L488 HydrophobicContact CE1-CG 3.81Å; Y471-L488 HydrophobicContact CE2-CB 4.09Å |
| 489 | K | 90.8 | Very high | 79.2 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 45% | 0.452 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.3 | 171.1 | -71.7 | -176.6 | -163.4 | 155.4 | 0 | 110.9 | T401 Q402 A404 Q491 | T401-K489 HydrophobicContact CG2-CB 4.2Å; T401-K489 HydrophobicContact CG2-CD 3.5Å; T401-K489 VanDerWaalsContact CG2-CD 3.5Å; T401-K489 HydrophobicContact CG2-CG 3.83Å; T401-K489 WeakPolarHBondContact OG1-CE 3.27Å; T401-K489 PolarHBondContact OG1-NZ 2.9Å; T401-K489 VanDerWaalsContact OG1-NZ 3.11Å; Q402-K489 PolarHBondContact O-N 2.82Å; A404-K489 PolarHBondContact N-O 2.92Å; K489-Q491 PolarHBondContact O-N 2.87Å |
| 490 | E | 89.1 | Confident | 77.5 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 120.3 | 172.6 | -171.1 | 164.3 | 177.3 | 0 | 0 | 108.2 | K406 F467 | K406-E490 HydrophobicContact CB-CG 4.11Å; K406-E490 VanDerWaalsContact CB-OE1 3.25Å; K406-E490 WeakPolarHBondContact CB-OE1 3.45Å; K406-E490 WeakPolarHBondContact CD-OE1 3.42Å; F467-E490 HydrophobicContact CD1-CB 4.1Å; F467-E490 HydrophobicContact CD2-CB 3.96Å; F467-E490 HydrophobicContact CD2-CG 4.4Å; F467-E490 HydrophobicContact CE1-CB 4.14Å; F467-E490 HydrophobicContact CE2-CB 4.02Å; F467-E490 HydrophobicContact CE2-CG 4.06Å; F467-E490 HydrophobicContact CG-CB 4Å; F467-E490 HydrophobicContact CZ-CB 4.09Å; F467-E490 HydrophobicContact CZ-CG 4.2Å |
| 491 | Q | 85 | Confident | 76 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 117.2 | 172.9 | -166.9 | 172.1 | 4 | 0 | 0 | 107.6 | H403 A404 V405 K489 A493 | H403-Q491 HydrophobicContact CB-CB 4.13Å; H403-Q491 HydrophobicContact CB-CG 4.34Å; A404-Q491 PolarHBondContact O-N 2.92Å; V405-Q491 HydrophobicContact CG2-CB 4.23Å; K489-Q491 PolarHBondContact O-N 2.87Å; Q491-A493 PolarHBondContact O-N 2.83Å |
| 492 | E | 76.1 | Confident | 74.4 | Confident | 163 Ų | 163 | 79.9 Ų | 79.9 | 76% | 0.762 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 117.7 | 169.5 | -68.3 | -174.2 | -176.1 | 0 | 0 | 108.7 | L494 | E492-L494 PolarHBondContact O-N 3.11Š|
| 493 | A | 63.6 | Low | 72.9 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 60% | 0.595 | 47% | 0.472 | S | S | * | . | trans | -70.8 | 82.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V405 Q491 P495 | V405-A493 HydrophobicContact CG1-CB 4.04Å; V405-A493 HydrophobicContact CG2-CB 4.36Å; Q491-A493 PolarHBondContact O-N 2.83Å; A493-P495 VanDerWaalsContact O-N 3.07Å | ||
| 494 | L | 60.5 | Low | 71.6 | Confident | 123 Ų | 123 | 83 Ų | 83 | 64% | 0.644 | 47% | 0.474 | S | S | * | . | trans | -47.4 | 117.8 | 178.5 | -72.5 | 175.6 | 0 | 0 | 0 | 108.8 | E492 M496 | E492-L494 PolarHBondContact O-N 3.11Å; L494-M496 PolarHBondContact O-N 3.39Å | ||
| 495 | P | 59.4 | Low | 70.2 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | trans | -62.3 | 128.5 | -175.4 | 24.6 | -33.1 | 0 | 0 | 0 | 108.1 | A493 L497 M498 | A493-P495 VanDerWaalsContact O-N 3.07Å; P495-L497 PolarHBondContact O-N 2.76Å; P495-M498 HydrophobicContact CG-CG 4.21Å; P495-M498 PolarHBondContact O-N 2.83Å | ||
| 496 | M | 54.3 | Low | 69.1 | Low | 145 Ų | 145 | 81.9 Ų | 81.9 | 71% | 0.714 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.3 | -171.4 | -157 | -144.7 | -62.3 | 0 | 0 | 113.1 | L494 M498 I499 V500 | L494-M496 PolarHBondContact O-N 3.39Å; M496-M498 PolarHBondContact O-N 2.91Å; M496-M498 VanDerWaalsContact O-N 3.16Å; M496-I499 PolarHBondContact O-N 3.08Å; M496-I499 VanDerWaalsContact O-N 3.08Å; M496-V500 PolarHBondContact O-N 2.83Å; M496-V500 HydrophobicContact SD-CG2 4.28Å |
| 497 | L | 52.8 | Low | 68 | Low | 143 Ų | 143 | 83.6 Ų | 83.6 | 75% | 0.749 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -42.8 | -35.3 | 164.3 | -85.7 | 142.4 | 0 | 0 | 0 | 115.1 | P495 G501 | P495-L497 PolarHBondContact O-N 2.76Å; L497-G501 WeakPolarHBondContact O-CA 3.22Å; L497-G501 PolarHBondContact O-N 3Å |
| 498 | M | 54.1 | Low | 67.2 | Low | 136 Ų | 136 | 85 Ų | 85 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.5 | -39.3 | 179 | -70.1 | -72.9 | -97.1 | 0 | 0 | 112.2 | P495 M496 G501 G502 | P495-M498 HydrophobicContact CG-CG 4.21Å; P495-M498 PolarHBondContact O-N 2.83Å; M496-M498 PolarHBondContact O-N 2.91Å; M496-M498 VanDerWaalsContact O-N 3.16Å; M498-G501 PolarHBondContact O-N 3.39Å; M498-G502 PolarHBondContact O-N 3.21Å |
| 499 | I | 53.9 | Low | 66.5 | Low | 124 Ų | 124 | 89.2 Ų | 89.2 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.9 | -43.6 | 178.5 | -58 | 177.5 | 0 | 0 | 0 | 109.9 | M496 G501 G502 A503 | M496-I499 PolarHBondContact O-N 3.08Å; M496-I499 VanDerWaalsContact O-N 3.08Å; I499-G501 VanDerWaalsContact C-N 3.34Å; I499-G502 PolarHBondContact O-N 2.83Å; I499-A503 PolarHBondContact O-N 2.88Å |
| 500 | V | 55.2 | Low | 65.8 | Low | 78 Ų | 78 | 90 Ų | 90 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 173 | 178.3 | 0 | 0 | 0 | 0 | 111 | M496 G502 A503 V504 | M496-V500 PolarHBondContact O-N 2.83Å; M496-V500 HydrophobicContact SD-CG2 4.28Å; V500-G502 PolarHBondContact O-N 2.83Å; V500-A503 PolarHBondContact O-N 3.13Å; V500-V504 HydrophobicContact CG1-CG2 4.14Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 WeakPolarHBondContact O-CG2 3.36Å; V500-V504 PolarHBondContact O-N 3.09Å |
| 501 | G | 57.1 | Low | 65.3 | Low | 41 Ų | 41 | 90.4 Ų | 90.4 | 42% | 0.423 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.8 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L497 M498 I499 G505 | L497-G501 WeakPolarHBondContact O-CA 3.22Å; L497-G501 PolarHBondContact O-N 3Å; M498-G501 PolarHBondContact O-N 3.39Å; I499-G501 VanDerWaalsContact C-N 3.34Å; G501-G505 WeakPolarHBondContact O-CA 3.49Å; G501-G505 PolarHBondContact O-N 2.98Å |
| 502 | G | 59.8 | Low | 65 | Low | 50 Ų | 50 | 90.8 Ų | 90.8 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -46.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M498 I499 V500 G506 | M498-G502 PolarHBondContact O-N 3.21Å; I499-G502 PolarHBondContact O-N 2.83Å; V500-G502 PolarHBondContact O-N 2.83Å; G502-G506 PolarHBondContact O-N 2.87Å |
| 503 | A | 60 | Low | 65.1 | Low | 73 Ų | 73 | 86 Ų | 86 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I499 V500 G507 | I499-A503 PolarHBondContact O-N 2.88Å; V500-A503 PolarHBondContact O-N 3.13Å; A503-G507 PolarHBondContact O-N 2.79Å |
| 504 | V | 65.7 | Low | 65.9 | Low | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V500 G507 C508 | V500-V504 HydrophobicContact CG1-CG2 4.14Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 WeakPolarHBondContact O-CG2 3.36Å; V500-V504 PolarHBondContact O-N 3.09Å; V504-G507 PolarHBondContact O-N 2.94Å; V504-C508 WeakPolarHBondContact O-CB 3.39Å; V504-C508 PolarHBondContact O-N 2.83Å; V504-C508 PolarHBondContact O-SG 2.87Å; V504-C508 VanDerWaalsContact O-SG 3.35Å |
| 505 | G | 65.4 | Low | 66.7 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G501 G507 C508 V509 | G501-G505 WeakPolarHBondContact O-CA 3.49Å; G501-G505 PolarHBondContact O-N 2.98Å; G505-G507 VanDerWaalsContact C-N 3.34Å; G505-G507 PolarHBondContact O-N 2.73Å; G505-C508 PolarHBondContact O-N 3.35Å; G505-V509 WeakPolarHBondContact O-CG2 3.2Å; G505-V509 PolarHBondContact O-N 3.37Å |
| 506 | G | 70.5 | Confident | 67.5 | Low | 39 Ų | 39 | 85.1 Ų | 85.1 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G502 V509 L510 | G502-G506 PolarHBondContact O-N 2.87Å; G506-V509 PolarHBondContact O-N 3.04Å; G506-L510 PolarHBondContact O-N 2.9Å |
| 507 | G | 70.9 | Confident | 68.5 | Low | 35 Ų | 35 | 83.4 Ų | 83.4 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A503 V504 G505 L510 L511 | A503-G507 PolarHBondContact O-N 2.79Å; V504-G507 PolarHBondContact O-N 2.94Å; G505-G507 VanDerWaalsContact C-N 3.34Å; G505-G507 PolarHBondContact O-N 2.73Å; G507-L510 WeakPolarHBondContact O-CB 3.35Å; G507-L510 PolarHBondContact O-N 2.76Å; G507-L511 WeakPolarHBondContact O-CB 3.06Å; G507-L511 PolarHBondContact O-N 2.85Å |
| 508 | C | 74.6 | Confident | 69.4 | Low | 67 Ų | 67 | 80.6 Ų | 80.6 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 177.2 | -74.6 | 0 | 0 | 0 | 0 | 112.8 | V504 G505 L511 I512 | V504-C508 WeakPolarHBondContact O-CB 3.39Å; V504-C508 PolarHBondContact O-N 2.83Å; V504-C508 PolarHBondContact O-SG 2.87Å; V504-C508 VanDerWaalsContact O-SG 3.35Å; G505-C508 PolarHBondContact O-N 3.35Å; C508-L511 PolarHBondContact O-N 3.37Å; C508-I512 VanDerWaalsContact O-CG1 3.3Å; C508-I512 WeakPolarHBondContact O-CG1 3.25Å; C508-I512 PolarHBondContact O-N 2.9Å |
| 509 | V | 77.9 | Confident | 70.1 | Confident | 91 Ų | 91 | 77 Ų | 77 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | G505 G506 L511 I512 C513 | G505-V509 WeakPolarHBondContact O-CG2 3.2Å; G505-V509 PolarHBondContact O-N 3.37Å; G506-V509 PolarHBondContact O-N 3.04Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.13Å; V509-I512 PolarHBondContact O-N 3.29Å; V509-C513 PolarHBondContact O-N 2.9Å; V509-C513 PolarHBondContact O-SG 3.08Å; V509-C513 VanDerWaalsContact O-SG 3.38Å |
| 510 | L | 76.7 | Confident | 70.8 | Confident | 120 Ų | 120 | 76.7 Ų | 76.7 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 172.3 | -97.6 | 163.7 | 0 | 0 | 0 | 112 | G506 G507 I512 C513 V514 | G506-L510 PolarHBondContact O-N 2.9Å; G507-L510 WeakPolarHBondContact O-CB 3.35Å; G507-L510 PolarHBondContact O-N 2.76Å; L510-I512 PolarHBondContact O-N 3.45Å; L510-C513 PolarHBondContact O-N 2.92Å; L510-V514 WeakPolarHBondContact O-CG2 3.46Å; L510-V514 PolarHBondContact O-N 2.84Å |
| 511 | L | 77.6 | Confident | 71.1 | Confident | 104 Ų | 104 | 77 Ų | 77 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 179.1 | -127.3 | 163.6 | 0 | 0 | 0 | 111.9 | G507 C508 V509 V514 I515 | G507-L511 WeakPolarHBondContact O-CB 3.06Å; G507-L511 PolarHBondContact O-N 2.85Å; C508-L511 PolarHBondContact O-N 3.37Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.13Å; L511-V514 PolarHBondContact O-N 3.23Å; L511-I515 HydrophobicContact CD2-CD1 3.75Å; L511-I515 HydrophobicContact CD2-CG1 4.26Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.04Å |
| 512 | I | 79.8 | Confident | 71.2 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.7 | -69.1 | 164 | 0 | 0 | 0 | 110.9 | C508 V509 L510 V514 I515 T516 | C508-I512 VanDerWaalsContact O-CG1 3.3Å; C508-I512 WeakPolarHBondContact O-CG1 3.25Å; C508-I512 PolarHBondContact O-N 2.9Å; V509-I512 PolarHBondContact O-N 3.29Å; L510-I512 PolarHBondContact O-N 3.45Å; I512-V514 VanDerWaalsContact C-N 3.33Å; I512-V514 PolarHBondContact O-N 3.4Å; I512-I515 PolarHBondContact O-N 2.87Å; I512-T516 WeakPolarHBondContact O-CG2 3.39Å; I512-T516 PolarHBondContact O-N 2.97Å; I512-T516 PolarHBondContact O-OG1 3.13Å |
| 513 | C | 78.4 | Confident | 71.2 | Confident | 63 Ų | 63 | 87.7 Ų | 87.7 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 176.2 | -71.3 | 0 | 0 | 0 | 0 | 113 | V509 L510 T516 L517 | V509-C513 PolarHBondContact O-N 2.9Å; V509-C513 PolarHBondContact O-SG 3.08Å; V509-C513 VanDerWaalsContact O-SG 3.38Å; L510-C513 PolarHBondContact O-N 2.92Å; C513-T516 PolarHBondContact O-OG1 3.3Å; C513-T516 VanDerWaalsContact O-OG1 3.04Å; C513-L517 WeakPolarHBondContact O-CB 3.12Å; C513-L517 WeakPolarHBondContact O-CD1 3.33Å; C513-L517 WeakPolarHBondContact O-CG 3.43Å; C513-L517 PolarHBondContact O-N 2.81Å; C513-L517 VanDerWaalsContact O-N 3.15Å |
| 514 | V | 79.2 | Confident | 70.9 | Confident | 82 Ų | 82 | 92.3 Ų | 92.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 173 | 172.1 | 0 | 0 | 0 | 0 | 111 | L510 L511 I512 L517 V518 | L510-V514 WeakPolarHBondContact O-CG2 3.46Å; L510-V514 PolarHBondContact O-N 2.84Å; L511-V514 PolarHBondContact O-N 3.23Å; I512-V514 VanDerWaalsContact C-N 3.33Å; I512-V514 PolarHBondContact O-N 3.4Å; V514-L517 PolarHBondContact O-N 2.81Å; V514-V518 HydrophobicContact CG1-CG2 4.49Å; V514-V518 WeakPolarHBondContact O-CG2 3.39Å; V514-V518 PolarHBondContact O-N 2.78Å |
| 515 | I | 77.6 | Confident | 70.2 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 178.2 | -70.4 | 164.7 | 0 | 0 | 0 | 111.5 | L511 I512 V518 S519 | L511-I515 HydrophobicContact CD2-CD1 3.75Å; L511-I515 HydrophobicContact CD2-CG1 4.26Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.04Å; I512-I515 PolarHBondContact O-N 2.87Å; I515-V518 PolarHBondContact O-N 3.43Å; I515-S519 WeakPolarHBondContact O-CB 3.33Å; I515-S519 PolarHBondContact O-N 2.96Å |
| 516 | T | 77.1 | Confident | 69.3 | Low | 68 Ų | 68 | 95.2 Ų | 95.2 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -43 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | I512 C513 V518 S519 L520 | I512-T516 WeakPolarHBondContact O-CG2 3.39Å; I512-T516 PolarHBondContact O-N 2.97Å; I512-T516 PolarHBondContact O-OG1 3.13Å; C513-T516 PolarHBondContact O-OG1 3.3Å; C513-T516 VanDerWaalsContact O-OG1 3.04Å; T516-V518 PolarHBondContact O-N 3.47Å; T516-S519 PolarHBondContact O-N 2.87Å; T516-S519 PolarHBondContact O-OG 3.07Å; T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.47Å |
| 517 | L | 74.4 | Confident | 68 | Low | 109 Ų | 109 | 103.3 Ų | 103.3 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57 | -47.7 | 172.3 | -78.6 | 167.1 | 0 | 0 | 0 | 112.3 | C513 V514 S519 L520 C521 | C513-L517 WeakPolarHBondContact O-CB 3.12Å; C513-L517 WeakPolarHBondContact O-CD1 3.33Å; C513-L517 WeakPolarHBondContact O-CG 3.43Å; C513-L517 PolarHBondContact O-N 2.81Å; C513-L517 VanDerWaalsContact O-N 3.15Å; V514-L517 PolarHBondContact O-N 2.81Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 2.79Å; L517-L520 PolarHBondContact O-N 2.7Å; L517-C521 PolarHBondContact O-N 3.38Å; L517-C521 VanDerWaalsContact O-N 3.08Å; L517-C521 PolarHBondContact O-SG 3.02Å |
| 518 | V | 72.1 | Confident | 66.6 | Low | 83 Ų | 83 | 105 Ų | 105 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.2 | -40.4 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | V514 I515 T516 L520 C521 C522 | V514-V518 HydrophobicContact CG1-CG2 4.49Å; V514-V518 WeakPolarHBondContact O-CG2 3.39Å; V514-V518 PolarHBondContact O-N 2.78Å; I515-V518 PolarHBondContact O-N 3.43Å; T516-V518 PolarHBondContact O-N 3.47Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 2.75Å; V518-C521 PolarHBondContact O-N 2.89Å; V518-C522 WeakPolarHBondContact O-CB 3.11Å; V518-C522 PolarHBondContact O-N 3.28Å; V518-C522 PolarHBondContact O-SG 2.75Å; V518-C522 VanDerWaalsContact O-SG 3.33Å |
| 519 | S | 68.6 | Low | 65.1 | Low | 62 Ų | 62 | 111.8 Ų | 111.8 | 43% | 0.434 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.6 | -33.2 | 178.5 | 81.9 | 0 | 0 | 0 | 0 | 113.5 | I515 T516 L517 R523 | I515-S519 WeakPolarHBondContact O-CB 3.33Å; I515-S519 PolarHBondContact O-N 2.96Å; T516-S519 PolarHBondContact O-N 2.87Å; T516-S519 PolarHBondContact O-OG 3.07Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 2.79Å; S519-R523 PolarHBondContact O-N 3.43Å |
| 520 | L | 68.1 | Low | 63.2 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.1 | -47.5 | 174.8 | -74.7 | 162.2 | 0 | 0 | 0 | 110.7 | T516 L517 V518 C522 R523 H524 | T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.47Å; L517-L520 PolarHBondContact O-N 2.7Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 2.75Å; L520-C522 VanDerWaalsContact C-N 3.34Å; L520-C522 PolarHBondContact O-N 2.77Å; L520-R523 PolarHBondContact O-N 3.14Å; L520-R523 VanDerWaalsContact O-N 3.15Å; L520-H524 PolarHBondContact O-N 2.84Å |
| 521 | C | 62 | Low | 61.1 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 58% | 0.581 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -58.9 | -43.3 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | L517 V518 R523 H524 | L517-C521 PolarHBondContact O-N 3.38Å; L517-C521 VanDerWaalsContact O-N 3.08Å; L517-C521 PolarHBondContact O-SG 3.02Å; V518-C521 PolarHBondContact O-N 2.89Å; C521-R523 VanDerWaalsContact C-N 3.26Å; C521-R523 PolarHBondContact O-N 3.15Å; C521-H524 PolarHBondContact O-N 3.22Å |
| 522 | C | 59.4 | Low | 59.3 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 62% | 0.622 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.4 | -18.8 | 178.1 | -72 | 0 | 0 | 0 | 0 | 114.3 | V518 L520 | V518-C522 WeakPolarHBondContact O-CB 3.11Å; V518-C522 PolarHBondContact O-N 3.28Å; V518-C522 PolarHBondContact O-SG 2.75Å; V518-C522 VanDerWaalsContact O-SG 3.33Å; L520-C522 VanDerWaalsContact C-N 3.34Å; L520-C522 PolarHBondContact O-N 2.77Å |
| 523 | R | 58.7 | Low | 56.9 | Low | 223 Ų | 223 | 128.2 Ų | 128.2 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.9 | -19.9 | 172.7 | -83.7 | -178 | 163.4 | 178.4 | -4 | 113.6 | S519 L520 C521 | S519-R523 PolarHBondContact O-N 3.43Å; L520-R523 PolarHBondContact O-N 3.14Å; L520-R523 VanDerWaalsContact O-N 3.15Å; C521-R523 VanDerWaalsContact C-N 3.26Å; C521-R523 PolarHBondContact O-N 3.15Å |
| 524 | H | 54.3 | Low | 54.9 | Low | 169 Ų | 169 | 133.8 Ų | 133.8 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -93.7 | -8.6 | -173.3 | -147.6 | -68.9 | 0 | 0 | 0 | 114.5 | L520 C521 G526 | L520-H524 PolarHBondContact O-N 2.84Å; C521-H524 PolarHBondContact O-N 3.22Å; H524-G526 VanDerWaalsContact C-N 3.31Å; H524-G526 PolarHBondContact O-N 2.89Å |
| 525 | T | 50.2 | Low | 52.8 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -94.3 | 39.8 | -176.3 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 526 | G | 46.9 | Very low | 50.6 | Low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | trans | -98.2 | 14.2 | -162.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | H524 | H524-G526 VanDerWaalsContact C-N 3.31Å; H524-G526 PolarHBondContact O-N 2.89Å | ||
| 527 | K | 43.8 | Very low | 49.4 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -163.6 | 140.8 | 165.9 | -105 | 142.7 | -171.7 | 176.2 | 0 | 111.4 | ||
| 528 | G | 40.3 | Very low | 47.4 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -90.9 | -166.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 529 | K | 44.3 | Very low | 45.9 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | cis | -175.5 | 122.9 | -8.5 | -117.9 | 177.1 | -178.2 | -179.9 | 0 | 106.6 | ||||
| 530 | R | 36.8 | Very low | 44 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | trans | -158.7 | 154.4 | 154.7 | -134.5 | 179.4 | -75 | -170.2 | -0.1 | 109.9 | ||||
| 531 | C | 33.1 | Very low | 42.2 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -111.1 | 138.9 | -159.7 | -55.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 532 | T | 40.3 | Very low | 40.7 | Very low | 149 Ų | 149 | 154 Ų | 154 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -131.4 | 152.5 | 139.9 | 31.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 533 | R | 30 | Very low | 39.7 | Very low | 240 Ų | 240 | 155.6 Ų | 155.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 140.5 | -170.7 | -70.4 | 172.1 | 168.3 | 161.9 | -6.9 | 111.7 | ||||
| 534 | L | 36.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | trans | -119.9 | 133 | 137.6 | -109.3 | 92.8 | 0 | 0 | 0 | 108.8 | ||||
| 535 | S | 33.6 | Very low | 37.3 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -101.6 | 114.7 | 170.5 | -174.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 536 | K | 32.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 56.9 | 115.3 | 91.1 | -158.7 | -128.6 | 173.1 | -171.1 | 0 | 112.6 | D538 | K536-D538 IonicContact NZ-OD2 3.39Å; K536-D538 PolarHBondContact NZ-OD2 3Å | |||
| 537 | S | 52.7 | Low | 35.8 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -64 | 160.9 | 165.9 | 44.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 538 | D | 30.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -151.2 | 164.2 | 153.8 | -126.4 | -43.8 | 0 | 0 | 0 | 112.7 | K536 | K536-D538 IonicContact NZ-OD2 3.39Å; K536-D538 PolarHBondContact NZ-OD2 3Å | ||
| 539 | I | 41.3 | Very low | 35 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -120.9 | 147.5 | -160.9 | -64.2 | 156.9 | 0 | 0 | 0 | 111.1 | V541 | I539-V541 HydrophobicContact CG2-CG2 4.36Š| ||
| 540 | R | 29.5 | Very low | 34.5 | Very low | 233 Ų | 233 | 149.2 Ų | 149.2 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -143.6 | 134.8 | 144.4 | -69 | -159 | -173.1 | -124.7 | -6 | 110.3 | ||||
| 541 | V | 30.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | cis | 82.4 | 128.7 | 42.9 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | I539 | I539-V541 HydrophobicContact CG2-CG2 4.36Š| ||
| 542 | Q | 31.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | cis | -158.3 | 177.9 | 5.1 | -128.2 | 175.4 | -32.6 | 0 | 0 | 108.6 | ||||
| 543 | I | 36.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 65% | 0.646 | 77% | 0.771 | S | S | * | * | cis | -118.8 | -124.4 | 2.4 | -35 | 163.8 | 0 | 0 | 0 | 110.9 | ||||
| 544 | V | 31.8 | Very low | 33.7 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | cis | -144.5 | 164.4 | 5.5 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 545 | H | 32.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 171 | 176.5 | -46.6 | 91 | 0 | 0 | 0 | 113.9 | ||||
| 546 | S | 31.1 | Very low | 33.6 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | cis | -155 | 153.9 | 14.7 | -166.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 547 | D | 33.7 | Very low | 33.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -87.6 | 155.7 | 174.2 | -40.8 | -91.1 | 0 | 0 | 0 | 113.9 | ||||
| 548 | H | 36 | Very low | 32.9 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | -172.2 | 136 | 116.2 | -109.5 | 63.1 | 0 | 0 | 0 | 117.1 | |||||
| 549 | N | 30.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | 38.8 | 150.6 | 144.8 | -77.4 | -8.8 | 0 | 0 | 0 | 124.6 | ||||
| 550 | A | 33.3 | Very low | 32.7 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -105.3 | 153 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 551 | T | 32.3 | Very low | 32.8 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | 172.6 | 152.9 | 127.8 | 28.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 552 | R | 29.9 | Very low | 32.9 | Very low | 250 Ų | 250 | 144.2 Ų | 144.2 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | 34.9 | 116.2 | 154.6 | -78.1 | -177.1 | 151.7 | 108.6 | -3.1 | 119.6 | ||||
| 553 | G | 30 | Very low | 33.8 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -148.1 | 149.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 554 | N | 31.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -123.9 | 161.2 | -176.2 | -146.1 | 50.3 | 0 | 0 | 0 | 109.3 | ||||
| 555 | D | 33.1 | Very low | 33.4 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 71.6 | 143.3 | 157.3 | -52.1 | -38.3 | 0 | 0 | 0 | 120.2 | ||||
| 556 | D | 35.4 | Very low | 34.3 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 61.3 | 149.6 | 148.8 | -52.8 | -10.9 | 0 | 0 | 0 | 121.5 | ||||
| 557 | E | 35.9 | Very low | 34.2 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -164.5 | 168.8 | -25.5 | -178.6 | 143.7 | 97.7 | 0 | 0 | 108.2 | ||||
| 558 | E | 34.5 | Very low | 34 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 54.1 | 98.9 | 161.5 | -86 | -179.3 | 171.5 | 0 | 0 | 122.4 | ||||
| 559 | D | 33.7 | Very low | 33.7 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | 73.6 | 160.1 | 104 | -157.2 | 25.2 | 0 | 0 | 0 | 122.7 | |||||
| 560 | V | 33.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 56% | 0.564 | 76% | 0.761 | S | S | * | * | trans | 86.1 | 119.3 | 157 | -169.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 561 | K | 31.6 | Very low | 33.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 86.8 | 98.6 | 150.3 | -81.5 | 164.4 | -162 | 156.2 | 0 | 122.7 | ||||
| 562 | E | 31.2 | Very low | 34.7 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | -55.7 | 173.9 | 119.6 | -60.8 | -168.8 | 140.8 | 0 | 0 | 112.5 | |||||
| 563 | P | 49.8 | Very low | 34.8 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -132.7 | 174.8 | 3.3 | 32.8 | -11.8 | 0 | 0 | 0 | 114.8 | ||||
| 564 | M | 29.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | 171.8 | 135.5 | 109.3 | -89.8 | -167.3 | 173.1 | 0 | 0 | 113.2 | |||||
| 565 | A | 32.3 | Very low | 34.9 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -87.5 | -171.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 566 | P | 51.3 | Low | 34.8 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -147.1 | -175.7 | 33.3 | 44.7 | -24.5 | 0 | 0 | 0 | 117.4 | ||||
| 567 | N | 28.4 | Very low | 34.7 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | 66.5 | 147 | 162.6 | -58.2 | -14 | 0 | 0 | 0 | 114.8 | ||||
| 568 | S | 28.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | cis | 167.3 | 157.9 | 1.7 | 47.9 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 569 | S | 30.6 | Very low | 34.6 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | cis | -157.4 | 179.8 | 3.3 | 43.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 570 | E | 29.2 | Very low | 34.6 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 69.7 | 130.8 | 154.7 | -74.2 | 150.5 | 103.8 | 0 | 0 | 121.9 | ||||
| 571 | S | 38.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -121.8 | -175.5 | 159.6 | -47.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 572 | P | 49.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | cis | -139.3 | 177.1 | -2.7 | 42.4 | -25.6 | 0 | 0 | 0 | 115.8 | ||||
| 573 | G | 32.8 | Very low | 34.9 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | 88.1 | 131.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 574 | T | 31 | Very low | 34.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -144.3 | 132.1 | 175.8 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 575 | S | 31.9 | Very low | 34.6 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 62.3 | 156.6 | 142 | 58.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 576 | R | 32.2 | Very low | 34.6 | Very low | 203 Ų | 203 | 137.2 Ų | 137.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | 179.3 | 139.8 | -32.4 | -145.7 | -167 | 92.3 | 126.6 | 4.6 | 109.6 | ||||
| 577 | T | 33.1 | Very low | 33.9 | Very low | 87 Ų | 87 | 140 Ų | 140 | 53% | 0.534 | 77% | 0.77 | S | S | . | * | trans | 57.9 | 165.3 | 151.1 | 40.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 578 | E | 34.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -174.3 | 158.5 | -33.1 | -111.9 | 173.5 | 159.3 | 0 | 0 | 109.3 | ||||
| 579 | H | 34.1 | Very low | 34.5 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 60.9 | 161.8 | 160 | -85.9 | 57.6 | 0 | 0 | 0 | 117.3 | ||||
| 580 | S | 32.7 | Very low | 34.6 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | cis | -154.9 | 179.6 | -14.9 | 41.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 581 | D | 34.4 | Very low | 34.7 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | -167.8 | -172.9 | 42.9 | -109.1 | -56.6 | 0 | 0 | 0 | 112.6 | ||||
| 582 | L | 35.7 | Very low | 34.8 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 161.5 | -171.7 | -60.7 | 160.6 | 0 | 0 | 0 | 117.7 | ||||
| 583 | L | 33.7 | Very low | 34.2 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -163.1 | 159.4 | 135.7 | -101.9 | 180 | 0 | 0 | 0 | 111.2 | ||||
| 584 | E | 38 | Very low | 34.2 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -129.7 | -178.8 | 179.5 | -67.1 | -175.5 | 117 | 0 | 0 | 111.5 | ||||
| 585 | E | 34.3 | Very low | 34.4 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 144.2 | 175.2 | -57.8 | 173.4 | 173.1 | 0 | 0 | 115.4 | ||||
| 586 | E | 32.1 | Very low | 34.6 | Very low | 181 Ų | 181 | 155.8 Ų | 155.8 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -150.5 | -179.7 | -0.1 | -133.1 | 177.2 | 179.4 | 0 | 0 | 110.8 | ||||
| 587 | D | 36.7 | Very low | 34.8 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -73.5 | 153.7 | -172.8 | -73.2 | -64.2 | 0 | 0 | 0 | 116.6 | ||||
| 588 | D | 34.1 | Very low | 34.9 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 166.3 | 148.2 | -140.6 | -23.5 | 0 | 0 | 0 | 114 | ||||
| 589 | E | 36 | Very low | 34.7 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -84.8 | 138.2 | -155.8 | -72.9 | -160.8 | 104.3 | 0 | 0 | 119.6 | ||||
| 590 | R | 31.9 | Very low | 34.7 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | 66.6 | 115.2 | 129.1 | -172 | -173.9 | -168.6 | -168.7 | 6 | 122 | |||||
| 591 | S | 32.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 158.8 Ų | 158.8 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | -159.9 | 140.6 | 128.1 | 55 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 592 | D | 39.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 159.2 Ų | 159.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 126.5 | 175.5 | -62.9 | -85.7 | 0 | 0 | 0 | 111.8 | ||||
| 593 | I | 37 | Very low | 34.5 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -117.5 | 120 | 166.2 | -69.9 | -179.9 | 0 | 0 | 0 | 109.6 | ||||
| 594 | K | 34.1 | Very low | 34.3 | Very low | 188 Ų | 188 | 161.5 Ų | 161.5 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -82.1 | 141.7 | 174.5 | -74.7 | 179.9 | 174.6 | 176.9 | 0 | 111.3 | P596 | K594-P596 WeakPolarHBondContact O-CD 3.32Š| ||
| 595 | D | 33.4 | Very low | 34 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -56.8 | 124 | 161.2 | 178.7 | -1.5 | 0 | 0 | 0 | 110.8 | T597 | D595-T597 WeakPolarHBondContact OD1-CB 3.45Å; D595-T597 PolarHBondContact OD1-N 3.17Å; D595-T597 PolarHBondContact OD1-OG1 2.78Å | ||
| 596 | P | 37.3 | Very low | 33.9 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -100.3 | 24.9 | 178.4 | 39.3 | -33.2 | 0 | 0 | 0 | 114 | K594 N598 | K594-P596 WeakPolarHBondContact O-CD 3.32Å; P596-N598 PolarHBondContact O-N 3.31Å | ||
| 597 | T | 35.6 | Very low | 34 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -90.8 | 67.5 | -173.2 | -43.1 | 0 | 0 | 0 | 0 | 113.8 | D595 | D595-T597 WeakPolarHBondContact OD1-CB 3.45Å; D595-T597 PolarHBondContact OD1-N 3.17Å; D595-T597 PolarHBondContact OD1-OG1 2.78Å | ||
| 598 | N | 34.6 | Very low | 33.7 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -150.9 | 100.3 | 166.9 | -145.7 | -21.7 | 0 | 0 | 0 | 112.9 | P596 | P596-N598 PolarHBondContact O-N 3.31Š| ||
| 599 | G | 32 | Very low | 33.6 | Very low | 64 Ų | 64 | 156.5 Ų | 156.5 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 91.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 600 | Y | 33.6 | Very low | 33.4 | Very low | 210 Ų | 210 | 157.7 Ų | 157.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 131.4 | 173.8 | -94.6 | -105.1 | 0 | 0 | 0 | 111.8 | ||||
| 601 | Y | 32.8 | Very low | 33.3 | Very low | 222 Ų | 222 | 155.4 Ų | 155.4 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -112.9 | 121.7 | 163.1 | -84 | -83.8 | 0 | 0 | 0 | 111.1 | ||||
| 602 | N | 32 | Very low | 33.2 | Very low | 156 Ų | 156 | 161.5 Ų | 161.5 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 120.2 | 174.3 | -83.1 | -54.6 | 0 | 0 | 0 | 110.6 | R604 | N602-R604 PolarHBondContact O-N 3.12Š| ||
| 603 | V | 32.4 | Very low | 32.7 | Very low | 142 Ų | 142 | 162 Ų | 162 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 114.8 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 604 | R | 30.9 | Very low | 32.5 | Very low | 238 Ų | 238 | 160 Ų | 160 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -83.2 | 114.1 | 160.9 | -77.4 | -174.8 | 170.8 | 123.4 | -2.3 | 108.2 | N602 | N602-R604 PolarHBondContact O-N 3.12Š| ||
| 605 | G | 31.4 | Very low | 32.2 | Very low | 70 Ų | 70 | 154.7 Ų | 154.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 140.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 606 | H | 31.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | -96.1 | 111.5 | 171.9 | -167.8 | -89.6 | 0 | 0 | 0 | 108.5 | D608 | H606-D608 IonicContact CE1-OD1 2.92Å; H606-D608 PolarHBondContact CE1-OD1 2.96Å; H606-D608 IonicContact CE1-OD2 3.16Å; H606-D608 IonicContact ND1-OD1 3.48Å; H606-D608 IonicContact ND1-OD2 3.35Å; H606-D608 PolarHBondContact ND1-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.34Å | ||
| 607 | D | 35.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 158.5 Ų | 158.5 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -74.6 | 110 | 171.3 | -81.2 | -48.3 | 0 | 0 | 0 | 109.7 | ||||
| 608 | D | 30.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 161.3 Ų | 161.3 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 124.3 | 166.9 | -83.4 | -54.7 | 0 | 0 | 0 | 111.6 | H606 | H606-D608 IonicContact CE1-OD1 2.92Å; H606-D608 PolarHBondContact CE1-OD1 2.96Å; H606-D608 IonicContact CE1-OD2 3.16Å; H606-D608 IonicContact ND1-OD1 3.48Å; H606-D608 IonicContact ND1-OD2 3.35Å; H606-D608 PolarHBondContact ND1-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.34Å |
| 609 | R | 32 | Very low | 31.4 | Very low | 234 Ų | 234 | 165.3 Ų | 165.3 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84 | 147.4 | -169.8 | -77.3 | 176.8 | 162.9 | 177.3 | -5.4 | 113 | I611 | R609-I611 PolarHBondContact O-N 3.23Š|
| 610 | H | 30.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 167.7 Ų | 167.7 | 89% | 0.889 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 132.4 | 165.9 | -62.6 | -65.9 | 0 | 0 | 0 | 112.6 | ||
| 611 | I | 30.4 | Very low | 31.5 | Very low | 162 Ų | 162 | 163.3 Ų | 163.3 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -124.6 | 123.8 | 151.9 | -64.9 | -178.2 | 0 | 0 | 0 | 107.7 | R609 | R609-I611 PolarHBondContact O-N 3.23Š| ||
| 612 | R | 30.8 | Very low | 31.5 | Very low | 236 Ų | 236 | 160.6 Ų | 160.6 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -79.5 | 137.5 | 164.3 | -80.1 | 178.4 | 165.5 | -173.8 | -4.2 | 108.6 | ||||
| 613 | N | 28.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -153 | 156.8 | 131.6 | -127 | -2 | 0 | 0 | 0 | 112.1 | ||||
| 614 | S | 32 | Very low | 31.5 | Very low | 115 Ų | 115 | 162.7 Ų | 162.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -100.9 | 139.3 | -171.8 | 52.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 615 | G | 28.8 | Very low | 31.7 | Very low | 78 Ų | 78 | 157.5 Ų | 157.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -151 | 125.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 616 | F | 31 | Very low | 31.6 | Very low | 215 Ų | 215 | 160.3 Ų | 160.3 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | trans | -87.8 | 134.5 | 177 | -113.9 | -103.8 | 0 | 0 | 0 | 110.2 | ||||
| 617 | S | 31.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 163.8 Ų | 163.8 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -160.9 | 140.8 | 151.4 | -163.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 618 | E | 33.3 | Very low | 31.4 | Very low | 176 Ų | 176 | 161.9 Ų | 161.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -86.9 | 141.3 | 178.1 | -64.9 | 169.6 | 104.2 | 0 | 0 | 110.8 | ||||
| 619 | Y | 27.5 | Very low | 31.6 | Very low | 228 Ų | 228 | 161.5 Ų | 161.5 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | trans | -147.4 | 146 | 157.2 | -147.3 | -96.5 | 0 | 0 | 0 | 112.1 | ||||
| 620 | V | 32.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 70% | 0.697 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 133.9 | -167.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 621 | P | 35.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 124.3 | 168.9 | 30.5 | -32.4 | 0 | 0 | 0 | 110.8 | ||
| 622 | N | 31.4 | Very low | 31.9 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 151 | 178 | -102.4 | -23.1 | 0 | 0 | 0 | 112.8 | ||
| 623 | S | 32.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 152 | -173.3 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 624 | R | 32.1 | Very low | 32.3 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 144.1 | 162.7 | -68 | -176.9 | 176.8 | -169.2 | -1.4 | 109.6 | ||
| 625 | P | 35.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 145.5 | 178.9 | 30.1 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 626 | V | 30.4 | Very low | 33 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 83% | 0.825 | S | S | * | * | trans | -114.7 | 131 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 627 | Y | 30.4 | Very low | 33.9 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -70.6 | 136.6 | 175.3 | -95.8 | -100.1 | 0 | 0 | 0 | 111.4 | ||||
| 628 | T | 31.6 | Very low | 33.8 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 71% | 0.712 | 82% | 0.822 | S | S | * | * | trans | -116.8 | 143 | 165.2 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 629 | P | 34.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81 | 120.8 | 177.4 | 31.2 | -32.4 | 0 | 0 | 0 | 110.8 | ||
| 630 | S | 31.9 | Very low | 33.8 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 162.5 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 631 | Q | 32.7 | Very low | 33.7 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -94 | 160.6 | -160.9 | -66.3 | 163 | -45.4 | 0 | 0 | 114.2 | ||
| 632 | L | 34.1 | Very low | 33.5 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.4 | 171.2 | -72.4 | 158.4 | 0 | 0 | 0 | 111.9 | ||
| 633 | P | 37.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 148.4 | 167.3 | 34.6 | -32.7 | 0 | 0 | 0 | 112 | ||
| 634 | S | 31.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -112.4 | 158.3 | 165.3 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 635 | P | 43.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -118.3 | 154.4 | 154.6 | 35.4 | -25.8 | 0 | 0 | 0 | 112 | ||||
| 636 | S | 32 | Very low | 33.9 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -112.6 | -167.1 | -171.2 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 637 | P | 50.6 | Low | 33.9 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | -117.8 | 175.1 | -128.8 | 37.4 | -19.2 | 0 | 0 | 0 | 115.6 | |||||
| 638 | M | 28.9 | Very low | 33.9 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -137.5 | 152.6 | 162.3 | -91.7 | -63.8 | 166.2 | 0 | 0 | 112.7 | ||||
| 639 | Y | 31.8 | Very low | 33.8 | Very low | 239 Ų | 239 | 147.6 Ų | 147.6 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -82 | 157.1 | 179.6 | -106.7 | -113.2 | 0 | 0 | 0 | 111.9 | ||||
| 640 | G | 28.7 | Very low | 33.6 | Very low | 72 Ų | 72 | 149.6 Ų | 149.6 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -169.4 | -17.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 641 | Q | 30.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 153 Ų | 153 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 64.4 | 147.7 | 164.2 | -136.2 | 176 | 4.8 | 0 | 0 | 120.5 | ||||
| 642 | H | 31.4 | Very low | 33.5 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 62.1 | 131.7 | 171.7 | -58.6 | -78.1 | 0 | 0 | 0 | 118.9 | ||||
| 643 | G | 29.9 | Very low | 33.5 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 175.1 | 169 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 644 | S | 31.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 78.2 | 143.8 | 174.3 | 77.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 645 | Q | 29.4 | Very low | 33.2 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -134.6 | 179.8 | 176.1 | -91.9 | -168.9 | -14.7 | 0 | 0 | 106.5 | ||||
| 646 | P | 48.8 | Very low | 32.5 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -133.2 | 176.6 | -46.2 | 38.9 | -23.8 | 0 | 0 | 0 | 111.9 | ||||
| 647 | R | 30.2 | Very low | 32.4 | Very low | 225 Ų | 225 | 152.3 Ų | 152.3 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | -179.4 | 139 | 154 | -98.7 | 153.1 | -163.7 | -149.9 | 3.7 | 106.7 | ||||
| 648 | I | 30.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | 60.4 | 93.7 | 28.9 | -49.2 | -179.3 | 0 | 0 | 0 | 112.9 | ||||
| 649 | Y | 29.7 | Very low | 31.4 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | -156.7 | 140 | 125.3 | -113.6 | -74 | 0 | 0 | 0 | 111.4 | F651 | Y649-F651 HydrophobicContact CD1-CD2 4.45Š| |||
| 650 | E | 31.6 | Very low | 31.4 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -97.7 | 140.7 | 167.4 | 164.3 | -174.3 | -135.8 | 0 | 0 | 107.9 | ||||
| 651 | F | 28.5 | Very low | 31.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -162.1 | 155.5 | 158 | -119.5 | -75.4 | 0 | 0 | 0 | 112.7 | Y649 | Y649-F651 HydrophobicContact CD1-CD2 4.45Š| ||
| 652 | S | 33.4 | Very low | 31.6 | Very low | 85 Ų | 85 | 151.5 Ų | 151.5 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | trans | -133.9 | 163.2 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 653 | H | 33.3 | Very low | 31.6 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 117.1 | 126.3 | 166.6 | -68.4 | -65.7 | 0 | 0 | 0 | 118.4 | ||||
| 654 | R | 31.6 | Very low | 31.8 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 34.3 | 149.2 | 122.5 | -66.7 | 170.9 | 173.6 | -169.9 | -1.3 | 119.6 | |||||
| 655 | Y | 31.5 | Very low | 31.7 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | cis | -161.7 | 151.7 | 14.9 | -111.6 | -51.2 | 0 | 0 | 0 | 110 | ||||
| 656 | A | 28.8 | Very low | 31.8 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 170.9 | 116.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 657 | T | 29.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | 74.6 | 111 | 52.2 | 68.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 658 | N | 27.6 | Very low | 31 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -148.7 | 131.8 | 144.7 | -122.5 | -6.3 | 0 | 0 | 0 | 109.3 | ||||
| 659 | T | 32 | Very low | 32.3 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -153 | -169.8 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 660 | V | 31.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | 97.5 | 129.2 | -175.8 | 177 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 661 | S | 32.1 | Very low | 33.4 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 131.8 | -12.2 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 662 | R | 31.4 | Very low | 33.7 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | 58 | 111.6 | 84.8 | -173.4 | -166.5 | -177.6 | -173.7 | 2.9 | 116.3 | |||||
| 663 | S | 31.5 | Very low | 33.6 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -174 | -177.9 | 132.5 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 664 | S | 33.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -156.3 | 146 | -163.2 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 665 | Y | 30.9 | Very low | 33.3 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 175.3 | 140.9 | 134.2 | -112.3 | -94.8 | 0 | 0 | 0 | 111.9 | ||||
| 666 | E | 30.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 18.4 | 128 | 142 | -161 | 179.5 | 150.7 | 0 | 0 | 122.5 | ||||
| 667 | Q | 30.1 | Very low | 34.4 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | 174.8 | 157.2 | 123.6 | -95.2 | 172.5 | 15.3 | 0 | 0 | 115.1 | |||||
| 668 | Q | 31.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -110.1 | -179.2 | 167.4 | -74.1 | 179 | -47.9 | 0 | 0 | 109.2 | ||||
| 669 | P | 57.9 | Low | 35.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -119.2 | -127.9 | -5 | 40.4 | -20 | 0 | 0 | 0 | 109.8 | ||||
| 670 | P | 51.4 | Low | 35.7 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -106.4 | -171.9 | 8.4 | 42.7 | -33.1 | 0 | 0 | 0 | 114.5 | ||||
| 671 | A | 32.7 | Very low | 35.8 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -145.7 | -179.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 672 | Q | 34.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 149.5 | 170.2 | -51.3 | -172.9 | 7.1 | 0 | 0 | 114.7 | ||||
| 673 | Q | 32.5 | Very low | 35.8 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | cis | -164.1 | 142.9 | 3.3 | -135.3 | 175.8 | 56.5 | 0 | 0 | 111.4 | ||||
| 674 | Q | 28.9 | Very low | 35.8 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | 160.4 | 152 | 126.5 | -88.8 | 162.5 | 27.6 | 0 | 0 | 115.8 | |||||
| 675 | Q | 30.2 | Very low | 35.7 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -130 | -176.4 | 176.9 | -105.4 | -177.9 | -5.2 | 0 | 0 | 106.4 | ||||
| 676 | P | 52.6 | Low | 36 | Very low | 99 Ų | 99 | 146 Ų | 146 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | -131.6 | 179.7 | -12.1 | 25.9 | -2.9 | 0 | 0 | 0 | 113.6 | ||||
| 677 | Q | 30 | Very low | 36.9 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | 162 | 162.2 | 119.7 | -84.6 | -176.4 | 8.7 | 0 | 0 | 112.9 | |||||
| 678 | S | 30.9 | Very low | 37.1 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -122.8 | -175.2 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 679 | P | 53.8 | Low | 37.3 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -121.7 | -170 | 2.2 | 28.6 | -2.6 | 0 | 0 | 0 | 111.8 | ||||
| 680 | T | 31.9 | Very low | 36.8 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -165.8 | 146.6 | 43.4 | 43 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 681 | Q | 33.6 | Very low | 36 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 61.8 | 148.5 | 151.3 | -62.6 | 172.8 | 32.9 | 0 | 0 | 118 | ||||
| 682 | T | 30.6 | Very low | 35.9 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | cis | -129.9 | 166.9 | 6.7 | -11.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 683 | A | 32.6 | Very low | 35.7 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -121.3 | 155.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 684 | T | 31.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -103 | 155.4 | 174 | -31.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 685 | I | 32 | Very low | 35.7 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -117.6 | 143.1 | -166.2 | -64.5 | 171.2 | 0 | 0 | 0 | 112.7 | ||||
| 686 | Y | 36.3 | Very low | 35.8 | Very low | 224 Ų | 224 | 135.9 Ų | 135.9 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -113.1 | 145.7 | 166.8 | -81.8 | -83.4 | 0 | 0 | 0 | 111.1 | ||||
| 687 | P | 49.4 | Very low | 34.8 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | -132.6 | 142.3 | 127.5 | 8.6 | 14 | 0 | 0 | 0 | 111.1 | |||||
| 688 | T | 33.1 | Very low | 35 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | 82.9 | 123.3 | 50.7 | 65.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 689 | D | 36.3 | Very low | 35.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 163.7 | 162.9 | -64.1 | -60 | 0 | 0 | 0 | 112.6 | ||||
| 690 | P | 47 | Very low | 34.6 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | -151.4 | 170.4 | 110.3 | 38.9 | -22.4 | 0 | 0 | 0 | 117 | |||||
| 691 | L | 36.5 | Very low | 34.5 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -83.2 | 151 | 168.2 | -66.6 | 122.9 | 0 | 0 | 0 | 113 | ||||
| 692 | Y | 29 | Very low | 34.4 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 94% | 0.941 | 82% | 0.824 | S | S | * | * | trans | -159.5 | 173.3 | 134.8 | -134.5 | -101 | 0 | 0 | 0 | 114.2 | ||||
| 693 | S | 30.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -97.8 | 155.5 | -167.4 | -178.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 694 | G | 27.4 | Very low | 34.4 | Very low | 74 Ų | 74 | 148.8 Ų | 148.8 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -169 | 131.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 695 | S | 35.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -130 | 138.4 | -174.7 | -53 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 696 | A | 31.1 | Very low | 34.4 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -154.1 | 109.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 697 | Y | 31.6 | Very low | 34.2 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | 42.6 | 129.2 | 146.3 | -61.4 | -80.5 | 0 | 0 | 0 | 123.8 | ||||
| 698 | L | 33.8 | Very low | 33.3 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -70.9 | 163.2 | 156.1 | -60.4 | 165.4 | 0 | 0 | 0 | 110.8 | ||||
| 699 | P | 43.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | -134.8 | 163.7 | 87.1 | 36.4 | -24.6 | 0 | 0 | 0 | 114.2 | |||||
| 700 | A | 32.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -108.3 | 157 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 701 | T | 30.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -136.2 | 137.2 | 167.1 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 702 | Y | 31.6 | Very low | 32.3 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | -56 | 153 | 164.9 | -61.4 | -110.3 | 0 | 0 | 0 | 110.3 | ||||
| 703 | G | 30.9 | Very low | 32.3 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | 125.7 | 147.2 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 704 | R | 32.1 | Very low | 32.5 | Very low | 235 Ų | 235 | 142.3 Ų | 142.3 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 176.1 | 139.8 | 151.9 | -102.4 | 166.6 | -170.7 | -165.6 | 2.4 | 110.9 | ||||
| 705 | A | 32.9 | Very low | 32.6 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -98.7 | 155.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 706 | F | 30.2 | Very low | 32.5 | Very low | 195 Ų | 195 | 148 Ų | 148 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 130.6 | 159.6 | -96.6 | -78.1 | 0 | 0 | 0 | 109.9 | ||||
| 707 | T | 32.8 | Very low | 32.5 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -105.2 | 140 | 177.3 | 52 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 708 | S | 31.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -143.6 | 103.7 | 162.2 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 709 | Y | 28.5 | Very low | 32.5 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 135.6 | 164.2 | -120.2 | -90.8 | 0 | 0 | 0 | 109 | ||||
| 710 | V | 30.7 | Very low | 32 | Very low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -137.1 | 132.9 | 159.4 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 711 | K | 31.1 | Very low | 32 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -96.2 | 157.2 | 174.3 | -101.3 | -171.2 | 172.3 | -176.7 | 0 | 110.6 | ||||
| 712 | P | 41.5 | Very low | 32 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -73.3 | 160.6 | 179.4 | 32.4 | -36.4 | 0 | 0 | 0 | 112.6 | ||||
| 713 | A | 29.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -133.8 | 153.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 714 | S | 33.7 | Very low | 31.9 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 145.1 | -162.6 | 54.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 715 | Y | 30.6 | Very low | 31.9 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -164.9 | 121.1 | 151.2 | -131.8 | -118.2 | 0 | 0 | 0 | 108.6 | ||||
| 716 | E | 32.9 | Very low | 31.9 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 54% | 0.542 | 77% | 0.769 | S | S | . | * | 56.6 | 138 | 92.6 | -82.1 | -162.3 | 71.1 | 0 | 0 | 115.2 | |||||
| 717 | K | 31.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | cis | -143.2 | -159.4 | 2.5 | -135.6 | -167.4 | -176.3 | 77.4 | 0 | 109 | ||||
| 718 | V | 30 | Very low | 31.7 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | -143.6 | 163.7 | 18.7 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 719 | D | 34.6 | Very low | 31.7 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -80 | 162.4 | -179.2 | -40 | -101.6 | 0 | 0 | 0 | 115.9 | ||||
| 720 | A | 32.3 | Very low | 31.9 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | 162.1 | 127.3 | 116.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 721 | Y | 33.1 | Very low | 31.8 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | 50.9 | 145.4 | 139.8 | -74.3 | -98.7 | 0 | 0 | 0 | 121.6 | ||||
| 722 | D | 30.8 | Very low | 31.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -150.8 | 170.1 | -10.8 | -149.7 | -2.6 | 0 | 0 | 0 | 113.1 | ||||
| 723 | Q | 30.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -80.3 | 138.9 | -174 | 170.3 | -177.9 | 94.8 | 0 | 0 | 114.9 | ||||
| 724 | S | 30.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | 166.2 | 168.7 | 138.8 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 725 | D | 32.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | -157.5 | 164.1 | -65.5 | -163.9 | 12.7 | 0 | 0 | 0 | 108.7 | |||||
| 726 | Q | 31.7 | Very low | 31 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 43.4 | 117.8 | 163.6 | -71.4 | 167.5 | 64.8 | 0 | 0 | 119.6 | ||||
| 727 | A | 30 | Very low | 30.9 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | cis | 96.1 | 136.9 | 46.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 728 | S | 30.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 87.6 | 132.6 | 154.6 | 87.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 729 | K | 30.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 136 Ų | 136 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 68 | 156 | 139.1 | -73.5 | 171.3 | -177.7 | 175.5 | 0 | 119.7 | ||||
| 730 | V | 31.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | cis | -164.8 | 148.3 | -35.1 | 108.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 731 | S | 29.2 | Very low | 30.5 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 153.5 | 160.9 | -74.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 732 | S | 29.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 99.6 | 99 | 142.1 | 72.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 733 | S | 30.7 | Very low | 30.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 68 | 138.1 | 117.7 | -166.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 734 | S | 31.3 | Very low | 30.3 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 68 | 152.9 | 150.9 | 30.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 735 | R | 31 | Very low | 30.4 | Very low | 208 Ų | 208 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -169.7 | 166.6 | -25.4 | -115.3 | -173.4 | -173.8 | 175.6 | 1.7 | 106.8 | ||||
| 736 | F | 27.8 | Very low | 30.3 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 100.1 | 165.3 | -58.1 | -61.9 | 0 | 0 | 0 | 118.8 | ||||
| 737 | S | 29.7 | Very low | 30.4 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 26.7 | 131.2 | 115.3 | -40.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 738 | Y | 29.6 | Very low | 30.4 | Very low | 230 Ų | 230 | 138.2 Ų | 138.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -165.8 | 165.9 | 109.6 | -117.2 | -81.7 | 0 | 0 | 0 | 112.2 | |||||
| 739 | A | 29.1 | Very low | 30.5 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | trans | 29.8 | 106 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 740 | S | 30.1 | Very low | 30.7 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 68.4 | 106.5 | 68.2 | 79.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 741 | S | 31 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -147.2 | 123 | 153.2 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 742 | Q | 33.3 | Very low | 30.9 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -92.2 | 134.2 | 163.1 | -72.4 | 179.5 | -27.6 | 0 | 0 | 107.8 | ||||
| 743 | V | 29.6 | Very low | 31.1 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -133 | 137.3 | 160.5 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 744 | S | 28.9 | Very low | 31.2 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 162.4 | -162.8 | -49.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 745 | S | 30.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 59.3 | 120.6 | 138.5 | 62.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 746 | Q | 31.9 | Very low | 31.2 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | -151.1 | 162.2 | 103.6 | -112.8 | 162.5 | 79.2 | 0 | 0 | 111.7 | |||||
| 747 | Q | 32 | Very low | 31.2 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -131.1 | 131.9 | -170.8 | -175.3 | 175.6 | -11.9 | 0 | 0 | 108 | ||||
| 748 | S | 31.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -148.3 | 104.3 | 176.3 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 749 | D | 32.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -71.4 | 145.8 | 170 | -83.1 | -73 | 0 | 0 | 0 | 112.3 | ||||
| 750 | Y | 33.6 | Very low | 31.7 | Very low | 233 Ų | 233 | 155.3 Ų | 155.3 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -152.4 | 127 | 148.9 | -105 | -78.8 | 0 | 0 | 0 | 110.3 | ||||
| 751 | G | 31 | Very low | 32 | Very low | 67 Ų | 67 | 159.9 Ų | 159.9 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -72.7 | 177 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 752 | R | 34.3 | Very low | 32.1 | Very low | 223 Ų | 223 | 162.1 Ų | 162.1 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | cis | -168.6 | 172.8 | 27 | -120.5 | -171.7 | -172.5 | -156.5 | 13.6 | 108.1 | ||||
| 753 | Q | 35.2 | Very low | 32 | Very low | 130 Ų | 130 | 160.1 Ų | 160.1 | 61% | 0.607 | 83% | 0.829 | S | S | * | * | cis | -158 | 153.6 | 5.4 | -153.9 | -173.5 | -93.8 | 0 | 0 | 111.1 | ||||
| 754 | T | 32 | Very low | 32.1 | Very low | 109 Ų | 109 | 161 Ų | 161 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | trans | 23.2 | 128.3 | 152.2 | 55.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 755 | Q | 32.6 | Very low | 32.3 | Very low | 203 Ų | 203 | 164.5 Ų | 164.5 | 95% | 0.949 | 83% | 0.834 | S | S | * | * | -137.5 | 150.2 | 115.8 | -110.7 | -176 | 3.3 | 0 | 0 | 110.1 | |||||
| 756 | R | 28.8 | Very low | 32.4 | Very low | 226 Ų | 226 | 168.4 Ų | 168.4 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | trans | -139.5 | 109.1 | -175.8 | 179.9 | -172.6 | -173.1 | -171 | 3.7 | 108.5 | ||||
| 757 | M | 28.8 | Very low | 32.5 | Very low | 191 Ų | 191 | 166.1 Ų | 166.1 | 94% | 0.941 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.2 | 163.3 | -79.6 | -174.9 | 166.7 | 0 | 0 | 109.7 | ||
| 758 | Q | 34.1 | Very low | 32.5 | Very low | 159 Ų | 159 | 165.6 Ų | 165.6 | 74% | 0.743 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 133 | 172.9 | -68 | 165.4 | -104.4 | 0 | 0 | 108.8 | ||
| 759 | T | 36 | Very low | 32.6 | Very low | 138 Ų | 138 | 169 Ų | 169 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 139.3 | 151.4 | 44 | 0 | 0 | 0 | 0 | 108.1 | ||
| 760 | H | 29.3 | Very low | 32.6 | Very low | 172 Ų | 172 | 171.8 Ų | 171.8 | 80% | 0.796 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 144 | 170.9 | -86.6 | -102.9 | 0 | 0 | 0 | 110.3 | ||
| 761 | V | 36 | Very low | 32.5 | Very low | 211 Ų | 211 | 166.3 Ų | 166.3 | 100% | 1.279 | 84% | 0.838 | S | S | * | * | trans | -136.9 | 0 | 157 | -177.4 | 0 | 0 | 0 | 0 | 105.7 |
Retrieved 761 of 761 residues in 810.3 ms
(Link to these results)