| 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 | 34.1 | Very low | 35.5 | Very low | 243 Ų | 243 | 149.5 Ų | 149.5 | 100% | 1.197 | 85% | 0.852 | S | S | * | * | 0 | 131.3 | 0 | -71.5 | -171 | -175.2 | 0 | 0 | 108.6 | |||||
| 2 | A | 34.3 | Very low | 35.6 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 80% | 0.802 | 85% | 0.85 | S | S | * | * | trans | 41.1 | 108.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3 | A | 34.8 | Very low | 35.8 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 84% | 0.839 | S | S | * | * | 63 | 113.7 | 80.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 4 | F | 32 | Very low | 36.5 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | -175.5 | 141.3 | 107.7 | -118.5 | -95.2 | 0 | 0 | 0 | 112.2 | |||||
| 5 | K | 34.1 | Very low | 36.6 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | trans | -74.6 | 150.1 | 175.4 | -71.5 | 173 | 170.7 | 178.5 | 0 | 111 | ||||
| 6 | G | 34.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -154.9 | 95.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 7 | L | 39.7 | Very low | 37 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | -66.4 | 145.8 | 159.4 | -80.9 | 160 | 0 | 0 | 0 | 108.4 | ||||
| 8 | V | 35.3 | Very low | 37.1 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -179.5 | 125.8 | 132.8 | 159.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | S | 37.9 | Very low | 37.4 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 85% | 0.845 | S | S | * | * | trans | 64.6 | 112.7 | 145.7 | -153.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 10 | A | 37.1 | Very low | 37.7 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 84% | 0.838 | S | S | * | * | trans | -47.8 | 142.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 11 | Y | 36.8 | Very low | 37.8 | Very low | 228 Ų | 228 | 138.2 Ų | 138.2 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -165 | 86.8 | 131.6 | -108.6 | -79.4 | 0 | 0 | 0 | 108.1 | G13 | Y11-G13 PolarHBondContact O-N 3.03Š| ||
| 12 | G | 36.7 | Very low | 38.2 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 105.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | G | 39.1 | Very low | 38.5 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -112.4 | 103.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y11 L15 | Y11-G13 PolarHBondContact O-N 3.03Å; G13-L15 PolarHBondContact O-N 3.04Å | ||
| 14 | L | 44.5 | Very low | 38.7 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 117.1 | 172.7 | -94.1 | 83 | 0 | 0 | 0 | 111.1 | R16 | L14-R16 HydrophobicContact CD2-CG 4.14Å; L14-R16 PolarHBondContact O-N 3.42Å | ||
| 15 | L | 38.7 | Very low | 39.3 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 90.1 | 153.3 | -78.4 | 162.3 | 0 | 0 | 0 | 107.9 | G13 | G13-L15 PolarHBondContact O-N 3.04Š| ||
| 16 | R | 38.1 | Very low | 39.5 | Very low | 218 Ų | 218 | 122.8 Ų | 122.8 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | -108.5 | 127.6 | 163.8 | -98.3 | -174.4 | 179.1 | -140.1 | -0.2 | 109.3 | L14 | L14-R16 HydrophobicContact CD2-CG 4.14Å; L14-R16 PolarHBondContact O-N 3.42Å | ||
| 17 | G | 42 | Very low | 40.1 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -65 | 155.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 18 | L | 39.1 | Very low | 40.4 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -142.9 | 88.7 | 151.9 | -92.6 | 162.2 | 0 | 0 | 0 | 106 | A20 | L18-A20 PolarHBondContact O-N 3.48Š| ||
| 19 | L | 42.9 | Very low | 40.8 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 72.6 | 155 | -72 | 172.3 | 0 | 0 | 0 | 107.2 | G21 | L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.28Å; L19-G21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | A | 42.5 | Very low | 41.3 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -75.4 | 94 | 160.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | L18 | L18-A20 PolarHBondContact O-N 3.48Š| ||
| 21 | G | 39.9 | Very low | 41.9 | Very low | 53 Ų | 53 | 132 Ų | 132 | 55% | 0.546 | 77% | 0.768 | S | S | . | * | trans | -50.6 | 152.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L19 A23 | L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.28Å; L19-G21 VanDerWaalsContact O-N 3.15Å; G21-A23 PolarHBondContact O-N 3.32Å | ||
| 22 | P | 42 | Very low | 42.9 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 114.1 | -179.1 | 24.9 | -31.1 | 0 | 0 | 0 | 107.2 | A24 | P22-A24 PolarHBondContact O-N 2.94Š| ||
| 23 | A | 40.4 | Very low | 44.1 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -52.6 | 110.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 105 | G21 T25 | G21-A23 PolarHBondContact O-N 3.32Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 2.82Å | ||
| 24 | A | 39.2 | Very low | 46.1 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -51.9 | 104 | 172.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | P22 S26 | P22-A24 PolarHBondContact O-N 2.94Å; A24-S26 PolarHBondContact O-N 3.28Å | ||
| 25 | T | 44.2 | Very low | 48.1 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -63 | 95.8 | 169.2 | 20.6 | 0 | 0 | 0 | 0 | 103.1 | A23 W27 | A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 2.82Å; T25-W27 VanDerWaalsContact C-N 3.29Å; T25-W27 VanDerWaalsContact O-CD1 3.29Å; T25-W27 PolarHBondContact O-N 2.87Å | ||
| 26 | S | 39.5 | Very low | 50.6 | Low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | trans | -72.1 | 92.3 | 176.1 | 59.7 | 0 | 0 | 0 | 0 | 106.7 | A24 S28 | A24-S26 PolarHBondContact O-N 3.28Å; S26-S28 PolarHBondContact O-N 3.22Å | ||
| 27 | W | 46.8 | Very low | 53.2 | Low | 243 Ų | 243 | 124.1 Ų | 124.1 | 92% | 0.92 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 32.3 | 172.9 | -79.5 | 56.5 | 0 | 0 | 0 | 112.3 | T25 | T25-W27 VanDerWaalsContact C-N 3.29Å; T25-W27 VanDerWaalsContact O-CD1 3.29Å; T25-W27 PolarHBondContact O-N 2.87Å |
| 28 | S | 46.5 | Very low | 55.7 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 12.4 | -160 | 47.1 | 0 | 0 | 0 | 0 | 116.6 | S26 | S26-S28 PolarHBondContact O-N 3.22Š|
| 29 | R | 43.1 | Very low | 58.4 | Low | 230 Ų | 230 | 119.1 Ų | 119.1 | 87% | 0.868 | 67% | 0.669 | S | S | * | * | trans | -128.4 | 92.7 | 157.8 | -65.1 | -172.2 | -139.7 | -136.3 | 3.9 | 109.6 | ||||
| 30 | L | 48.8 | Very low | 60.8 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 59% | 0.586 | 65% | 0.652 | S | S | * | * | trans | -52.3 | 132.3 | 156.1 | -65.6 | 165.4 | 0 | 0 | 0 | 106.5 | A32 K103 | L30-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact O-N 3.13Å; L30-K103 WeakPolarHBondContact CD1-O 3.35Å | ||
| 31 | P | 48.8 | Very low | 63.4 | Low | 88 Ų | 88 | 115.1 Ų | 115.1 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | trans | -53.4 | 129 | 173.8 | 22.6 | -31.7 | 0 | 0 | 0 | 107 | R33 | P31-R33 HydrophobicContact CB-CG 4.5Å; P31-R33 HydrophobicContact CG-CG 4.32Å; P31-R33 PolarHBondContact O-N 3.47Å | ||
| 32 | A | 57 | Low | 66 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 92% | 0.917 | 64% | 0.639 | S | S | * | * | trans | -64.4 | 83.2 | 176 | 0 | 0 | 0 | 0 | 0 | 107.9 | L30 G34 | L30-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact O-N 3.13Å; A32-G34 PolarHBondContact O-N 3.02Å; A32-G34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | R | 63.8 | Low | 68.4 | Low | 208 Ų | 208 | 119.4 Ų | 119.4 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -76.1 | 103.6 | 177.1 | -71.3 | -174.5 | -176.7 | -173 | 1 | 105.8 | P31 | P31-R33 HydrophobicContact CB-CG 4.5Å; P31-R33 HydrophobicContact CG-CG 4.32Å; P31-R33 PolarHBondContact O-N 3.47Å | ||
| 34 | G | 79.5 | Confident | 70.9 | Confident | 26 Ų | 26 | 119.2 Ų | 119.2 | 27% | 0.268 | 63% | 0.633 | S | S | . | * | trans | -58.5 | 167.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | A32 R36 | A32-G34 PolarHBondContact O-N 3.02Å; A32-G34 VanDerWaalsContact O-N 3.12Å; G34-R36 PolarHBondContact O-N 3.4Å | ||
| 35 | F | 87.7 | Confident | 73.5 | Confident | 120 Ų | 120 | 124.5 Ų | 124.5 | 53% | 0.526 | 64% | 0.639 | S | S | . | * | trans | -63.3 | 126 | 167.9 | -67.3 | -53 | 0 | 0 | 0 | 108.3 | T54 T56 P57 | F35-T54 WeakPolarHBondContact CB-OG1 3.34Å; F35-T54 PolarHBondContact O-N 3.19Å; F35-T54 PolarHBondContact O-OG1 2.87Å; F35-T56 HydrophobicContact CB-CG2 4.16Å; F35-T56 HydrophobicContact CD2-CG2 3.66Å; F35-T56 HydrophobicContact CE2-CG2 4.28Å; F35-T56 HydrophobicContact CG-CG2 4.02Å; F35-P57 HydrophobicContact CE2-CG 4.44Å | ||
| 36 | R | 90.5 | Very high | 75.9 | Confident | 178 Ų | 178 | 122.9 Ų | 122.9 | 67% | 0.672 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.5 | -179.9 | -169.8 | 175.5 | 72.2 | 167.1 | 5.2 | 108.7 | G34 R52 L53 | G34-R36 PolarHBondContact O-N 3.4Å; R36-R52 WeakPolarHBondContact CA-O 3.49Å; R36-R52 WeakPolarHBondContact CG-O 3.38Å; R36-L53 HydrophobicContact CB-CD2 4.15Å; R36-L53 HydrophobicContact CG-CD2 4.11Å |
| 37 | E | 92.9 | Very high | 78.5 | Confident | 114 Ų | 114 | 122.3 Ų | 122.3 | 53% | 0.533 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.6 | 176.4 | -64.8 | -176.5 | 169.7 | 0 | 0 | 109.2 | G51 R52 T54 | E37-G51 CarbonylContact O-C 3.6Å; E37-G51 WeakPolarHBondContact O-CA 3.47Å; E37-R52 PolarHBondContact N-O 2.91Å; E37-R52 PolarHBondContact O-N 3.34Å; E37-T54 HydrophobicContact CG-CG2 3.9Å |
| 38 | V | 94.8 | Very high | 80.9 | Confident | 94 Ų | 94 | 113.5 Ų | 113.5 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102 | 124.4 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 106.4 | I49 E50 | V38-I49 HydrophobicContact CG1-CG2 3.56Å; V38-E50 WeakPolarHBondContact CA-O 3.43Å |
| 39 | V | 95.1 | Very high | 83.2 | Confident | 41 Ų | 41 | 114.2 Ų | 114.2 | 25% | 0.248 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 108 | I41 E50 R52 | V39-I41 HydrophobicContact CG1-CG1 4.07Å; V39-E50 PolarHBondContact N-O 2.93Å; V39-E50 PolarHBondContact O-N 2.9Å; V39-R52 HydrophobicContact CG2-CG 4.42Å |
| 40 | E | 94.6 | Very high | 85.7 | Confident | 132 Ų | 132 | 107 Ų | 107 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.9 | 175.5 | -62.8 | 178.4 | -172.5 | 0 | 0 | 108.2 | I49 | E40-I49 HydrophobicContact CG-CG1 4.37Å |
| 41 | I | 96 | Very high | 87.8 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 28% | 0.277 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.1 | 178.4 | -54.2 | 174.1 | 0 | 0 | 0 | 107.1 | V39 E43 I48 | V39-I41 HydrophobicContact CG1-CG1 4.07Å; I41-E43 HydrophobicContact CG2-CG 4.24Å; I41-I48 HydrophobicContact CB-CB 4.44Å; I41-I48 PolarHBondContact N-O 3.42Å; I41-I48 PolarHBondContact O-N 3.49Å |
| 42 | Q | 94.3 | Very high | 89.8 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.8 | 178.1 | -67.2 | -177.5 | -3 | 0 | 0 | 109.7 | T47 | Q42-T47 HydrophobicContact CG-CG2 4.3Å |
| 43 | E | 93.4 | Very high | 91.3 | Very high | 125 Ų | 125 | 107.2 Ų | 107.2 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 93.6 | 174.7 | -68 | -177 | 179.4 | 0 | 0 | 108.9 | I41 K45 T46 | I41-E43 HydrophobicContact CG2-CG 4.24Å; E43-K45 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact N-O 3.44Å; E43-T46 PolarHBondContact O-N 3.43Å |
| 44 | G | 92.5 | Very high | 92.4 | Very high | 86 Ų | 86 | 99.5 Ų | 99.5 | 89% | 0.887 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -107.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 45 | K | 93.4 | Very high | 92.6 | Very high | 204 Ų | 204 | 103.1 Ų | 103.1 | 89% | 0.887 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -5.4 | 178.3 | 67.1 | 175.5 | 179.3 | 179.2 | 0 | 114.3 | E43 | E43-K45 PolarHBondContact O-N 3.39Š|
| 46 | T | 94.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130 | -177.5 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | E43 I48 | E43-T46 PolarHBondContact N-O 3.44Å; E43-T46 PolarHBondContact O-N 3.43Å; T46-I48 HydrophobicContact CG2-CG1 4.42Å |
| 47 | T | 94.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.7 | 173.7 | -54 | 0 | 0 | 0 | 0 | 109.3 | Q42 I49 | Q42-T47 HydrophobicContact CG-CG2 4.3Å; T47-I49 HydrophobicContact CG2-CG1 4.33Å |
| 48 | I | 95.9 | Very high | 91.2 | Very high | 58 Ų | 58 | 101.3 Ų | 101.3 | 30% | 0.297 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.6 | 177.3 | -55.3 | 173.6 | 0 | 0 | 0 | 107.7 | I41 T46 E50 | I41-I48 HydrophobicContact CB-CB 4.44Å; I41-I48 PolarHBondContact N-O 3.42Å; I41-I48 PolarHBondContact O-N 3.49Å; T46-I48 HydrophobicContact CG2-CG1 4.42Å; I48-E50 HydrophobicContact CG2-CG 4.05Å |
| 49 | I | 96 | Very high | 90.2 | Very high | 111 Ų | 111 | 100.2 Ų | 100.2 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.2 | 179 | -53.8 | 179.8 | 0 | 0 | 0 | 108.4 | V38 E40 T47 | V38-I49 HydrophobicContact CG1-CG2 3.56Å; E40-I49 HydrophobicContact CG-CG1 4.37Å; T47-I49 HydrophobicContact CG2-CG1 4.33Å |
| 50 | E | 94.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 101.4 Ų | 101.4 | 36% | 0.36 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 146.8 | -179.1 | -62.7 | -174.9 | 164.4 | 0 | 0 | 111.7 | V38 V39 I48 R52 | V38-E50 WeakPolarHBondContact CA-O 3.43Å; V39-E50 PolarHBondContact N-O 2.93Å; V39-E50 PolarHBondContact O-N 2.9Å; I48-E50 HydrophobicContact CG2-CG 4.05Å; E50-R52 IonicContact OE2-CZ 3.59Å; E50-R52 IonicContact OE2-NE 3.34Å; E50-R52 PolarHBondContact OE2-NE 3.33Å; E50-R52 IonicContact OE2-NH2 2.91Å; E50-R52 PolarHBondContact OE2-NH2 3.06Å |
| 51 | G | 92.9 | Very high | 88.6 | Confident | 52 Ų | 52 | 100.5 Ų | 100.5 | 54% | 0.536 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E37 | E37-G51 CarbonylContact O-C 3.6Å; E37-G51 WeakPolarHBondContact O-CA 3.47Å |
| 52 | R | 91.4 | Very high | 88.1 | Confident | 126 Ų | 126 | 104.6 Ų | 104.6 | 48% | 0.475 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 130.6 | 179.5 | -62.6 | -175.5 | -176.8 | 178.5 | 0.2 | 110.8 | R36 E37 V39 E50 | R36-R52 WeakPolarHBondContact CA-O 3.49Å; R36-R52 WeakPolarHBondContact CG-O 3.38Å; E37-R52 PolarHBondContact N-O 2.91Å; E37-R52 PolarHBondContact O-N 3.34Å; V39-R52 HydrophobicContact CG2-CG 4.42Å; E50-R52 IonicContact OE2-CZ 3.59Å; E50-R52 IonicContact OE2-NE 3.34Å; E50-R52 PolarHBondContact OE2-NE 3.33Å; E50-R52 IonicContact OE2-NH2 2.91Å; E50-R52 PolarHBondContact OE2-NH2 3.06Å |
| 53 | L | 88.6 | Confident | 87.9 | Confident | 139 Ų | 139 | 98.6 Ų | 98.6 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.3 | 172.7 | -67.8 | 175.2 | 0 | 0 | 0 | 109.1 | R36 | R36-L53 HydrophobicContact CB-CD2 4.15Å; R36-L53 HydrophobicContact CG-CD2 4.11Å |
| 54 | T | 86.6 | Confident | 87.9 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 28% | 0.282 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -101.2 | 156.1 | 176.3 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | F35 E37 T56 | F35-T54 WeakPolarHBondContact CB-OG1 3.34Å; F35-T54 PolarHBondContact O-N 3.19Å; F35-T54 PolarHBondContact O-OG1 2.87Å; E37-T54 HydrophobicContact CG-CG2 3.9Å; T54-T56 PolarHBondContact O-N 3.41Å |
| 55 | A | 83.4 | Confident | 87.9 | Confident | 101 Ų | 101 | 94.8 Ų | 94.8 | 84% | 0.835 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 56 | T | 83.3 | Confident | 87.7 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 135.7 | 173.4 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | F35 T54 K58 | F35-T56 HydrophobicContact CB-CG2 4.16Å; F35-T56 HydrophobicContact CD2-CG2 3.66Å; F35-T56 HydrophobicContact CE2-CG2 4.28Å; F35-T56 HydrophobicContact CG-CG2 4.02Å; T54-T56 PolarHBondContact O-N 3.41Å; T56-K58 PolarHBondContact O-N 2.89Å |
| 57 | P | 80.1 | Confident | 87.5 | Confident | 107 Ų | 107 | 90.2 Ų | 90.2 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 131.3 | 171.7 | 27.6 | -32.5 | 0 | 0 | 0 | 109 | F35 | F35-P57 HydrophobicContact CE2-CG 4.44Š|
| 58 | K | 78.4 | Confident | 87.2 | Confident | 199 Ų | 199 | 87.3 Ų | 87.3 | 87% | 0.865 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -78 | 140 | 170.1 | -66 | -177.4 | -178.1 | 176.5 | 0 | 108.3 | T56 | T56-K58 PolarHBondContact O-N 2.89Š|
| 59 | G | 73.5 | Confident | 86.9 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 74% | 0.742 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 60 | S | 80.7 | Confident | 86.7 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 146.5 | 178 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | N62 W75 | S60-N62 PolarHBondContact O-N 3.33Å; S60-W75 WeakPolarHBondContact OG-CH2 3.48Å; S60-W75 WeakPolarHBondContact OG-CZ2 3.45Å |
| 61 | P | 76.1 | Confident | 86.7 | Confident | 114 Ų | 114 | 86 Ų | 86 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -70.9 | -35.8 | -162 | 25.1 | -34.3 | 0 | 0 | 0 | 114.1 | P63 | P61-P63 WeakPolarHBondContact O-CD 3.46Š|
| 62 | N | 86 | Confident | 86.8 | Confident | 139 Ų | 139 | 83.6 Ų | 83.6 | 74% | 0.743 | 50% | 0.499 | S | S | * | . | trans | -117.7 | 95.1 | -168.3 | -64.4 | -16.2 | 0 | 0 | 0 | 111 | S60 | S60-N62 PolarHBondContact O-N 3.33Š| ||
| 63 | P | 89.8 | Confident | 86.9 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 16% | 0.156 | 49% | 0.487 | C | S | . | . | trans | -80.6 | 148.3 | 174.7 | 23.9 | -18.1 | 0 | 0 | 0 | 111.1 | P61 N65 R74 | P61-P63 WeakPolarHBondContact O-CD 3.46Å; P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.49Å; P63-R74 HydrophobicContact CB-CG 3.87Å; P63-R74 HydrophobicContact CG-CG 4.2Å; P63-R74 VanDerWaalsContact CG-NH2 3.29Å | ||
| 64 | P | 92.7 | Very high | 87.1 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -68.6 | -28.4 | -176.5 | 27.3 | -35 | 0 | 0 | 0 | 113.5 | R74 W75 | P64-R74 WeakPolarHBondContact CD-O 3.37Å; P64-R74 WeakPolarHBondContact CG-O 3.42Å; P64-W75 HydrophobicContact CG-CE3 4.16Å |
| 65 | N | 92.4 | Very high | 87.5 | Confident | 52 Ų | 52 | 80.7 Ų | 80.7 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | trans | -128.8 | 94.9 | 176.1 | 179.8 | -0.9 | 0 | 0 | 0 | 110.5 | P63 S67 G68 R74 N76 | P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.49Å; N65-S67 PolarHBondContact O-N 3.06Å; N65-S67 PolarHBondContact OD1-N 3.4Å; N65-G68 PolarHBondContact O-N 3.04Å; N65-R74 WeakPolarHBondContact CB-O 3.12Å; N65-R74 PolarHBondContact N-O 3.23Å; N65-R74 VanDerWaalsContact O-CA 3.31Å; N65-R74 WeakPolarHBondContact O-CA 3.21Å; N65-R74 WeakPolarHBondContact O-CG 3.34Å; N65-N76 WeakPolarHBondContact CB-OD1 3.5Å; N65-N76 PolarHBondContact ND2-OD1 2.88Å | ||
| 66 | P | 89.5 | Confident | 88 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.6 | -177.3 | 27.1 | -34.1 | 0 | 0 | 0 | 113.8 | G68 | P66-G68 VanDerWaalsContact C-N 3.29Å; P66-G68 PolarHBondContact O-N 3.26Å |
| 67 | S | 91.3 | Very high | 88.6 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 67% | 0.671 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.6 | -178 | -53 | 0 | 0 | 0 | 0 | 113.8 | N65 Q69 | N65-S67 PolarHBondContact O-N 3.06Å; N65-S67 PolarHBondContact OD1-N 3.4Å; S67-Q69 PolarHBondContact O-N 3.29Å |
| 68 | G | 88.3 | Confident | 89.4 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 17% | 0.165 | 44% | 0.435 | C | S | . | . | trans | -67 | 126.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N65 P66 | N65-G68 PolarHBondContact O-N 3.04Å; P66-G68 VanDerWaalsContact C-N 3.29Å; P66-G68 PolarHBondContact O-N 3.26Å | ||
| 69 | Q | 89.4 | Confident | 90.2 | Very high | 174 Ų | 174 | 70.5 Ų | 70.5 | 81% | 0.813 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -72 | -34.6 | -179.5 | -60.7 | -58.9 | -41.7 | 0 | 0 | 113.2 | S67 | S67-Q69 PolarHBondContact O-N 3.29Š|
| 70 | C | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -105.3 | 150 | -179 | 89.9 | 0 | 0 | 0 | 0 | 111.3 | I72 C73 R74 C108 | C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 2.89Å; C70-C73 HydrophobicContact CB-CB 4.15Å; C70-C73 WeakPolarHBondContact CB-SG 3.25Å; C70-C73 WeakPolarHBondContact O-CB 3.42Å; C70-C73 PolarHBondContact O-N 3.5Å; C70-C73 WeakPolarHBondContact SG-CB 3.3Å; C70-C73 PolarHBondContact SG-N 3.49Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 3.2Å; C70-R74 WeakPolarHBondContact O-CB 3.23Å; C70-R74 PolarHBondContact O-N 3.25Å; C70-C108 HydrophobicContact CB-CB 4.37Å; C70-C108 VanDerWaalsContact CB-SG 3.54Å |
| 71 | P | 93.4 | Very high | 92.2 | Very high | 44 Ų | 44 | 70.2 Ų | 70.2 | 29% | 0.286 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -51 | -48.9 | 176.5 | -29.2 | 34.2 | 0 | 0 | 0 | 113 | C73 R74 W75 T105 G106 L107 | P71-C73 VanDerWaalsContact C-N 3.28Å; P71-C73 PolarHBondContact O-N 3.24Å; P71-R74 WeakPolarHBondContact O-CB 3.13Å; P71-R74 PolarHBondContact O-N 3.24Å; P71-R74 VanDerWaalsContact O-N 3.15Å; P71-W75 WeakPolarHBondContact O-CB 3.33Å; P71-W75 PolarHBondContact O-N 3.02Å; P71-T105 WeakPolarHBondContact CG-O 3.3Å; P71-G106 VanDerWaalsContact CD-O 3.28Å; P71-G106 WeakPolarHBondContact CD-O 3.47Å; P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.42Å |
| 72 | I | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 178.8 | -60.9 | -57.5 | 0 | 0 | 0 | 112.4 | C70 N76 L77 K78 Y81 L88 F92 L107 E111 I115 | C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 2.89Å; I72-N76 PolarHBondContact O-N 2.81Å; I72-L77 HydrophobicContact CG2-CB 4.03Å; I72-L77 PolarHBondContact O-N 3.1Å; I72-K78 HydrophobicContact CG2-CB 4.4Å; I72-Y81 HydrophobicContact CG2-CD1 4.41Å; I72-Y81 HydrophobicContact CG2-CE1 3.95Å; I72-L88 HydrophobicContact CD1-CD1 4Å; I72-L88 HydrophobicContact CD1-CD2 4.12Å; I72-L88 HydrophobicContact CD1-CG 4.46Å; I72-F92 HydrophobicContact CD1-CE2 4.25Å; I72-F92 HydrophobicContact CD1-CZ 4.31Å; I72-L107 HydrophobicContact CG1-CD2 3.61Å; I72-E111 HydrophobicContact CG2-CG 4.41Å; I72-I115 HydrophobicContact CD1-CD1 4.14Å; I72-I115 HydrophobicContact CG1-CD1 4.02Å |
| 73 | C | 93 | Very high | 93.8 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 179 | -48.1 | 0 | 0 | 0 | 0 | 110.4 | C70 P71 W75 N76 | C70-C73 HydrophobicContact CB-CB 4.15Å; C70-C73 WeakPolarHBondContact CB-SG 3.25Å; C70-C73 WeakPolarHBondContact O-CB 3.42Å; C70-C73 PolarHBondContact O-N 3.5Å; C70-C73 WeakPolarHBondContact SG-CB 3.3Å; C70-C73 PolarHBondContact SG-N 3.49Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 3.2Å; P71-C73 VanDerWaalsContact C-N 3.28Å; P71-C73 PolarHBondContact O-N 3.24Å; C73-W75 PolarHBondContact O-N 2.74Å; C73-N76 PolarHBondContact O-N 3.33Å; C73-N76 VanDerWaalsContact O-N 3.1Å; C73-N76 PolarHBondContact O-OD1 2.99Å |
| 74 | R | 93.8 | Very high | 94.2 | Very high | 107 Ų | 107 | 64.9 Ų | 64.9 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | 179.5 | -155 | -173.7 | -179.4 | -175.5 | -7.9 | 112.4 | P63 P64 N65 C70 P71 | P63-R74 HydrophobicContact CB-CG 3.87Å; P63-R74 HydrophobicContact CG-CG 4.2Å; P63-R74 VanDerWaalsContact CG-NH2 3.29Å; P64-R74 WeakPolarHBondContact CD-O 3.37Å; P64-R74 WeakPolarHBondContact CG-O 3.42Å; N65-R74 WeakPolarHBondContact CB-O 3.12Å; N65-R74 PolarHBondContact N-O 3.23Å; N65-R74 VanDerWaalsContact O-CA 3.31Å; N65-R74 WeakPolarHBondContact O-CA 3.21Å; N65-R74 WeakPolarHBondContact O-CG 3.34Å; C70-R74 WeakPolarHBondContact O-CB 3.23Å; C70-R74 PolarHBondContact O-N 3.25Å; P71-R74 WeakPolarHBondContact O-CB 3.13Å; P71-R74 PolarHBondContact O-N 3.24Å; P71-R74 VanDerWaalsContact O-N 3.15Å |
| 75 | W | 94.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 64.3 Ų | 64.3 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.6 | 177.5 | -74.8 | 98.1 | 0 | 0 | 0 | 114.2 | S60 P64 P71 C73 L77 | S60-W75 WeakPolarHBondContact OG-CH2 3.48Å; S60-W75 WeakPolarHBondContact OG-CZ2 3.45Å; P64-W75 HydrophobicContact CG-CE3 4.16Å; P71-W75 WeakPolarHBondContact O-CB 3.33Å; P71-W75 PolarHBondContact O-N 3.02Å; C73-W75 PolarHBondContact O-N 2.74Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.94Å; W75-L77 PolarHBondContact O-N 3.29Å |
| 76 | N | 95.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.7 | -177.9 | -58.7 | -38.4 | 0 | 0 | 0 | 113.9 | N65 I72 C73 K80 | N65-N76 WeakPolarHBondContact CB-OD1 3.5Å; N65-N76 PolarHBondContact ND2-OD1 2.88Å; I72-N76 PolarHBondContact O-N 2.81Å; C73-N76 PolarHBondContact O-N 3.33Å; C73-N76 VanDerWaalsContact O-N 3.1Å; C73-N76 PolarHBondContact O-OD1 2.99Å; N76-K80 WeakPolarHBondContact O-CD 3.36Å; N76-K80 WeakPolarHBondContact O-CE 3.2Å; N76-K80 PolarHBondContact O-NZ 2.88Å |
| 77 | L | 96.2 | Very high | 94.9 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | trans | -93.3 | -3.4 | -180 | -67.3 | 177 | 0 | 0 | 0 | 113.1 | I72 W75 H79 K80 Y81 L88 | I72-L77 HydrophobicContact CG2-CB 4.03Å; I72-L77 PolarHBondContact O-N 3.1Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.94Å; W75-L77 PolarHBondContact O-N 3.29Å; L77-H79 PolarHBondContact O-N 3.28Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-K80 VanDerWaalsContact O-N 3.08Å; L77-Y81 WeakPolarHBondContact O-CD1 3.48Å; L77-L88 HydrophobicContact CD1-CD1 3.94Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å | ||
| 78 | K | 95.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 63 Ų | 63 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.9 | 177.9 | -159 | -173 | 179.4 | 179.6 | 0 | 109.9 | I72 K80 | I72-K78 HydrophobicContact CG2-CB 4.4Å; K78-K80 PolarHBondContact O-N 3.27Å |
| 79 | H | 96.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 7.2 | -178.3 | -51.4 | -77.4 | 0 | 0 | 0 | 116.3 | L77 D183 N184 V185 | L77-H79 PolarHBondContact O-N 3.28Å; H79-D183 PolarHBondContact ND1-O 3.21Å; H79-N184 WeakPolarHBondContact O-CA 3.37Å; H79-V185 HydrophobicContact CB-CG2 4.13Å; H79-V185 PolarHBondContact O-N 3.02Å |
| 80 | K | 97.1 | Very high | 96 | Very high | 127 Ų | 127 | 56.1 Ų | 56.1 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -10 | -173.4 | -62.4 | -179.8 | -172.5 | 167.8 | 0 | 115 | N76 L77 K78 | N76-K80 WeakPolarHBondContact O-CD 3.36Å; N76-K80 WeakPolarHBondContact O-CE 3.2Å; N76-K80 PolarHBondContact O-NZ 2.88Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-K80 VanDerWaalsContact O-N 3.08Å; K78-K80 PolarHBondContact O-N 3.27Å |
| 81 | Y | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | trans | -103.5 | 157.3 | 179.9 | 67.7 | -91.5 | 0 | 0 | 0 | 111.9 | I72 L77 D85 L88 E111 K114 I115 N184 | I72-Y81 HydrophobicContact CG2-CD1 4.41Å; I72-Y81 HydrophobicContact CG2-CE1 3.95Å; L77-Y81 WeakPolarHBondContact O-CD1 3.48Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.5Å; Y81-L88 HydrophobicContact CD1-CD2 4.18Å; Y81-L88 HydrophobicContact CD2-CD2 4.37Å; Y81-L88 HydrophobicContact CG-CD2 3.79Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.2Å; Y81-E111 PolarHBondContact OH-OE2 3.4Å; Y81-K114 HydrophobicContact CE2-CB 4.37Å; Y81-K114 WeakPolarHBondContact OH-CB 3.46Å; Y81-K114 WeakPolarHBondContact OH-CD 3.28Å; Y81-I115 HydrophobicContact CE2-CG1 3.98Å; Y81-N184 PolarHBondContact O-ND2 3.41Å | ||
| 82 | N | 97.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | trans | -142.4 | -176.6 | -178 | -174.1 | 28.7 | 0 | 0 | 0 | 110.9 | D84 D85 | N82-D84 VanDerWaalsContact C-OD1 3.28Å; N82-D84 WeakPolarHBondContact CB-OD1 3.35Å; N82-D84 PolarHBondContact ND2-OD1 3.15Å; N82-D84 PolarHBondContact O-N 3.4Å; N82-D85 PolarHBondContact N-OD2 2.82Å; N82-D85 PolarHBondContact O-N 3.33Å | ||
| 83 | Y | 98 | Very high | 96.2 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -17.7 | -172.8 | 75.8 | -81.3 | 0 | 0 | 0 | 114.4 | L89 M121 A125 L127 L151 | Y83-L89 WeakPolarHBondContact O-CD1 3.46Å; Y83-M121 HydrophobicContact CD2-CB 4.48Å; Y83-M121 HydrophobicContact CG-CB 4.32Å; Y83-A125 HydrophobicContact CE2-CB 4.4Å; Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.25Å; Y83-L127 WeakPolarHBondContact O-CD1 3.4Å; Y83-L151 HydrophobicContact CD1-CD2 3.58Å; Y83-L151 HydrophobicContact CD1-CG 4.36Å; Y83-L151 HydrophobicContact CE1-CD2 3.29Å; Y83-L151 HydrophobicContact CE1-CG 3.66Å |
| 84 | D | 97.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.8 | 177 | 46.2 | -3.1 | 0 | 0 | 0 | 113.1 | N82 V86 | N82-D84 VanDerWaalsContact C-OD1 3.28Å; N82-D84 WeakPolarHBondContact CB-OD1 3.35Å; N82-D84 PolarHBondContact ND2-OD1 3.15Å; N82-D84 PolarHBondContact O-N 3.4Å; D84-V86 PolarHBondContact O-N 3.33Å |
| 85 | D | 97.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | trans | -75.4 | 63.9 | -179.4 | -64.3 | -46.6 | 0 | 0 | 0 | 113 | Y81 N82 L87 L88 L89 | Y81-D85 WeakPolarHBondContact CA-OD2 3.5Å; N82-D85 PolarHBondContact N-OD2 2.82Å; N82-D85 PolarHBondContact O-N 3.33Å; D85-L87 PolarHBondContact O-N 2.93Å; D85-L87 VanDerWaalsContact O-N 3.15Å; D85-L88 HydrophobicContact CB-CB 4.39Å; D85-L88 PolarHBondContact O-N 2.76Å; D85-L89 WeakPolarHBondContact O-CG 3.3Å; D85-L89 PolarHBondContact O-N 2.94Å; D85-L89 VanDerWaalsContact O-N 3.09Å | ||
| 86 | V | 97.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -33.5 | -175.1 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | D84 L88 L89 S90 L127 L128 | D84-V86 PolarHBondContact O-N 3.33Å; V86-L88 VanDerWaalsContact C-N 3.29Å; V86-L88 PolarHBondContact O-N 3.29Å; V86-L89 PolarHBondContact O-N 3.21Å; V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.47Å; V86-S90 VanDerWaalsContact O-OG 3.11Å; V86-L127 HydrophobicContact CG2-CB 3.77Å; V86-L127 HydrophobicContact CG2-CD1 4.2Å; V86-L128 HydrophobicContact CG1-CD2 3.63Å |
| 87 | L | 96.5 | Very high | 96.3 | Very high | 150 Ų | 150 | 60.5 Ų | 60.5 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66 | -31.1 | 179.7 | -61.7 | 178.7 | 0 | 0 | 0 | 113.1 | D85 S90 Q91 | D85-L87 PolarHBondContact O-N 2.93Å; D85-L87 VanDerWaalsContact O-N 3.15Å; L87-S90 PolarHBondContact O-OG 3.02Å; L87-Q91 PolarHBondContact O-NE2 3.45Å |
| 88 | L | 96.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.3 | -46.3 | 174.5 | 179.9 | 65.7 | 0 | 0 | 0 | 110.3 | I72 L77 Y81 D85 V86 S90 Q91 F92 | I72-L88 HydrophobicContact CD1-CD1 4Å; I72-L88 HydrophobicContact CD1-CD2 4.12Å; I72-L88 HydrophobicContact CD1-CG 4.46Å; L77-L88 HydrophobicContact CD1-CD1 3.94Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å; Y81-L88 HydrophobicContact CD1-CD2 4.18Å; Y81-L88 HydrophobicContact CD2-CD2 4.37Å; Y81-L88 HydrophobicContact CG-CD2 3.79Å; D85-L88 HydrophobicContact CB-CB 4.39Å; D85-L88 PolarHBondContact O-N 2.76Å; V86-L88 VanDerWaalsContact C-N 3.29Å; V86-L88 PolarHBondContact O-N 3.29Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.46Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.32Å; L88-F92 HydrophobicContact CD1-CE2 3.98Å; L88-F92 HydrophobicContact CG-CE2 4.32Å; L88-F92 WeakPolarHBondContact O-CD2 3.36Å |
| 89 | L | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | -176.1 | -62.1 | 175.9 | 0 | 0 | 0 | 112.1 | Y83 D85 V86 Q91 F92 I115 C118 V119 A122 | Y83-L89 WeakPolarHBondContact O-CD1 3.46Å; D85-L89 WeakPolarHBondContact O-CG 3.3Å; D85-L89 PolarHBondContact O-N 2.94Å; D85-L89 VanDerWaalsContact O-N 3.09Å; V86-L89 PolarHBondContact O-N 3.21Å; L89-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact O-N 3.15Å; L89-F92 PolarHBondContact O-N 3.47Å; L89-F92 VanDerWaalsContact O-N 3.12Å; L89-I115 HydrophobicContact CD2-CG2 4.07Å; L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.66Å; L89-V119 HydrophobicContact CB-CG2 4.25Å; L89-V119 HydrophobicContact CD2-CG2 4.17Å; L89-A122 HydrophobicContact CD1-CB 4.19Å |
| 90 | S | 96.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -60.7 | -24.1 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | V86 L87 L88 F92 I93 | V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.47Å; V86-S90 VanDerWaalsContact O-OG 3.11Å; L87-S90 PolarHBondContact O-OG 3.02Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.46Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.75Å; S90-I93 WeakPolarHBondContact O-CG1 3.08Å |
| 91 | Q | 94.3 | Very high | 96.2 | Very high | 127 Ų | 127 | 53.4 Ų | 53.4 | 59% | 0.593 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -72.4 | -24.6 | 179.3 | -59.4 | 174 | 35 | 0 | 0 | 112.9 | L87 L88 L89 | L87-Q91 PolarHBondContact O-NE2 3.45Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact O-N 3.15Å |
| 92 | F | 95.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -105.2 | 4.2 | -174.6 | -57.1 | -71.8 | 0 | 0 | 0 | 113.8 | I72 L88 L89 S90 M99 L100 T105 L107 I115 | I72-F92 HydrophobicContact CD1-CE2 4.25Å; I72-F92 HydrophobicContact CD1-CZ 4.31Å; L88-F92 HydrophobicContact CD1-CE2 3.98Å; L88-F92 HydrophobicContact CG-CE2 4.32Å; L88-F92 WeakPolarHBondContact O-CD2 3.36Å; L89-F92 PolarHBondContact O-N 3.47Å; L89-F92 VanDerWaalsContact O-N 3.12Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.75Å; F92-M99 HydrophobicContact CB-CE 3.75Å; F92-M99 HydrophobicContact CB-SD 4.3Å; F92-L100 VanDerWaalsContact O-CB 3.3Å; F92-L100 WeakPolarHBondContact O-CB 3.5Å; F92-L100 WeakPolarHBondContact O-CG 3.41Å; F92-L100 PolarHBondContact O-N 2.79Å; F92-T105 HydrophobicContact CD1-CG2 3.92Å; F92-L107 HydrophobicContact CD1-CD1 3.85Å; F92-L107 HydrophobicContact CE1-CD1 3.93Å; F92-L107 HydrophobicContact CE1-CD2 4.14Å; F92-L107 HydrophobicContact CE1-CG 4.16Å; F92-L107 HydrophobicContact CG-CD1 4.32Å; F92-L107 HydrophobicContact CZ-CD1 4.46Å; F92-L107 HydrophobicContact CZ-CD2 4.21Å; F92-I115 HydrophobicContact CB-CG2 4.25Å; F92-I115 HydrophobicContact CD2-CD1 4.12Å; F92-I115 HydrophobicContact CD2-CG2 4.25Å; F92-I115 HydrophobicContact CE2-CD1 4.08Å; F92-I115 HydrophobicContact CG-CG2 4.5Å |
| 93 | I | 96.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -108.9 | 157.4 | -179.1 | 63.1 | 177.3 | 0 | 0 | 0 | 111.9 | S90 G98 V119 L128 H131 | S90-I93 WeakPolarHBondContact O-CG1 3.08Å; I93-G98 CarbonylContact C-O 3.59Å; I93-G98 WeakPolarHBondContact CA-O 3.28Å; I93-V119 HydrophobicContact CG2-CB 4.38Å; I93-V119 HydrophobicContact CG2-CG1 3.71Å; I93-V119 HydrophobicContact CG2-CG2 3.65Å; I93-L128 HydrophobicContact CD1-CD1 3.95Å; I93-L128 HydrophobicContact CD1-CD2 4.06Å; I93-H131 HydrophobicContact CD1-CB 4.23Å |
| 94 | R | 95.2 | Very high | 95.5 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -79.9 | 163.7 | 170.8 | -65.3 | 172.9 | -179.3 | -92.8 | 4.4 | 110.2 | H96 G97 G98 L100 H131 | R94-H96 PolarHBondContact O-N 3.12Å; R94-G97 PolarHBondContact O-N 3.25Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.36Å; R94-G98 PolarHBondContact N-O 2.68Å; R94-L100 HydrophobicContact CG-CD2 3.78Å; R94-L100 HydrophobicContact CG-CG 4.43Å; R94-H131 PolarHBondContact O-ND1 3.01Å | ||
| 95 | P | 94.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 60% | 0.597 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28 | 171.9 | -27.5 | 36 | 0 | 0 | 0 | 113.9 | H131 | P95-H131 WeakPolarHBondContact O-CA 3.15Š|
| 96 | H | 94.6 | Very high | 95 | Very high | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.7 | -179.9 | -55.4 | -42.4 | 0 | 0 | 0 | 114.9 | R94 G98 R134 | R94-H96 PolarHBondContact O-N 3.12Å; H96-G98 VanDerWaalsContact C-N 3.3Å; H96-G98 PolarHBondContact O-N 2.69Å; H96-R134 VanDerWaalsContact CE1-CD 3.48Å; H96-R134 WeakPolarHBondContact CE1-CD 3.45Å; H96-R134 VanDerWaalsContact CE1-CG 3.47Å; H96-R134 WeakPolarHBondContact CE1-CG 3.34Å; H96-R134 VanDerWaalsContact CE1-CZ 3.48Å; H96-R134 PolarHBondContact CE1-NE 3.32Å; H96-R134 PolarHBondContact NE2-NE 3.49Å |
| 97 | G | 94.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 81.6 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R94 H123 | R94-G97 PolarHBondContact O-N 3.25Å; G97-H123 WeakPolarHBondContact CA-NE2 3.31Å; G97-H123 PolarHBondContact O-NE2 3.3Å |
| 98 | G | 95.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -74 | 143.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I93 R94 H96 | I93-G98 CarbonylContact C-O 3.59Å; I93-G98 WeakPolarHBondContact CA-O 3.28Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.36Å; R94-G98 PolarHBondContact N-O 2.68Å; H96-G98 VanDerWaalsContact C-N 3.3Å; H96-G98 PolarHBondContact O-N 2.69Å |
| 99 | M | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 143.2 | 176.6 | -170.2 | 62.3 | -170.1 | 0 | 0 | 111.8 | F92 I115 V119 | F92-M99 HydrophobicContact CB-CE 3.75Å; F92-M99 HydrophobicContact CB-SD 4.3Å; M99-I115 HydrophobicContact CE-CB 4.26Å; M99-I115 HydrophobicContact CE-CG2 3.58Å; M99-I115 HydrophobicContact SD-CG2 4.19Å; M99-V119 HydrophobicContact SD-CG2 4.35Å |
| 100 | L | 95.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 149.1 | 172 | -71.9 | 175.1 | 0 | 0 | 0 | 111.8 | F92 R94 T105 H112 | F92-L100 VanDerWaalsContact O-CB 3.3Å; F92-L100 WeakPolarHBondContact O-CB 3.5Å; F92-L100 WeakPolarHBondContact O-CG 3.41Å; F92-L100 PolarHBondContact O-N 2.79Å; R94-L100 HydrophobicContact CG-CD2 3.78Å; R94-L100 HydrophobicContact CG-CG 4.43Å; L100-T105 HydrophobicContact CB-CG2 3.58Å; L100-T105 HydrophobicContact CD1-CG2 4.41Å; L100-H112 PolarHBondContact O-CE1 3.15Å; L100-H112 VanDerWaalsContact O-CE1 3.25Å |
| 101 | P | 96 | Very high | 94.9 | Very high | 60 Ų | 60 | 63 Ų | 63 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 140.4 | 179.7 | -19.4 | 31.7 | 0 | 0 | 0 | 112.8 | K103 I104 T105 | P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 3.09Å; P101-I104 HydrophobicContact CB-CG1 4.27Å; P101-I104 HydrophobicContact CG-CG1 4.36Å; P101-I104 PolarHBondContact O-N 3.33Å; P101-T105 PolarHBondContact O-N 3.41Å; P101-T105 VanDerWaalsContact O-N 3.07Å; P101-T105 PolarHBondContact O-OG1 2.78Å |
| 102 | R | 94.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 58 Ų | 58 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51.1 | -45.2 | 178.1 | -169.7 | 175.2 | 69.1 | 78.6 | -3.2 | 113.3 | I104 T105 G106 L107 H112 | R102-I104 PolarHBondContact O-N 3.39Å; R102-T105 WeakPolarHBondContact CA-OG1 3.48Å; R102-T105 PolarHBondContact O-N 2.94Å; R102-T105 PolarHBondContact O-OG1 3.28Å; R102-G106 PolarHBondContact O-N 2.85Å; R102-L107 WeakPolarHBondContact CD-O 3.38Å; R102-L107 WeakPolarHBondContact CG-O 3.45Å; R102-L107 PolarHBondContact NH1-O 3.42Å; R102-H112 HydrophobicContact CG-CB 4.11Å |
| 103 | K | 92.1 | Very high | 95.2 | Very high | 167 Ų | 167 | 64 Ų | 64 | 73% | 0.726 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56 | -32.6 | 179.2 | -68 | -174.5 | 179.7 | -178.2 | 0 | 112.5 | L30 P101 | L30-K103 WeakPolarHBondContact CD1-O 3.35Å; P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 3.09Å |
| 104 | I | 91.2 | Very high | 95.2 | Very high | 106 Ų | 106 | 63.9 Ų | 63.9 | 54% | 0.544 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -85 | -44.3 | 179.3 | -56 | -56.8 | 0 | 0 | 0 | 110.7 | P101 R102 G106 | P101-I104 HydrophobicContact CB-CG1 4.27Å; P101-I104 HydrophobicContact CG-CG1 4.36Å; P101-I104 PolarHBondContact O-N 3.33Å; R102-I104 PolarHBondContact O-N 3.39Å; I104-G106 VanDerWaalsContact C-N 3.27Å; I104-G106 PolarHBondContact O-N 3.04Å |
| 105 | T | 92.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.6 | -23.2 | -179.1 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | P71 F92 L100 P101 R102 L107 | P71-T105 WeakPolarHBondContact CG-O 3.3Å; F92-T105 HydrophobicContact CD1-CG2 3.92Å; L100-T105 HydrophobicContact CB-CG2 3.58Å; L100-T105 HydrophobicContact CD1-CG2 4.41Å; P101-T105 PolarHBondContact O-N 3.41Å; P101-T105 VanDerWaalsContact O-N 3.07Å; P101-T105 PolarHBondContact O-OG1 2.78Å; R102-T105 WeakPolarHBondContact CA-OG1 3.48Å; R102-T105 PolarHBondContact O-N 2.94Å; R102-T105 PolarHBondContact O-OG1 3.28Å; T105-L107 PolarHBondContact O-N 2.9Å |
| 106 | G | 92.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 15.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P71 R102 I104 | P71-G106 VanDerWaalsContact CD-O 3.28Å; P71-G106 WeakPolarHBondContact CD-O 3.47Å; R102-G106 PolarHBondContact O-N 2.85Å; I104-G106 VanDerWaalsContact C-N 3.27Å; I104-G106 PolarHBondContact O-N 3.04Å |
| 107 | L | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | trans | -75.9 | 149.2 | 178.9 | -67.2 | 168 | 0 | 0 | 0 | 112.3 | P71 I72 F92 R102 T105 H112 I115 | P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.42Å; I72-L107 HydrophobicContact CG1-CD2 3.61Å; F92-L107 HydrophobicContact CD1-CD1 3.85Å; F92-L107 HydrophobicContact CE1-CD1 3.93Å; F92-L107 HydrophobicContact CE1-CD2 4.14Å; F92-L107 HydrophobicContact CE1-CG 4.16Å; F92-L107 HydrophobicContact CG-CD1 4.32Å; F92-L107 HydrophobicContact CZ-CD1 4.46Å; F92-L107 HydrophobicContact CZ-CD2 4.21Å; R102-L107 WeakPolarHBondContact CD-O 3.38Å; R102-L107 WeakPolarHBondContact CG-O 3.45Å; R102-L107 PolarHBondContact NH1-O 3.42Å; T105-L107 PolarHBondContact O-N 2.9Å; L107-H112 HydrophobicContact CB-CB 4.14Å; L107-I115 HydrophobicContact CD1-CD1 3.62Å; L107-I115 HydrophobicContact CD2-CD1 4.05Å; L107-I115 HydrophobicContact CG-CD1 4.5Å | ||
| 108 | C | 95.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 54 Ų | 54 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | trans | -62.9 | 154.9 | 165 | -69.9 | 0 | 0 | 0 | 0 | 110.3 | C70 E110 E111 H112 | C70-C108 HydrophobicContact CB-CB 4.37Å; C70-C108 VanDerWaalsContact CB-SG 3.54Å; C108-E110 VanDerWaalsContact C-N 3.28Å; C108-E110 PolarHBondContact O-N 3.21Å; C108-E111 PolarHBondContact O-N 3.47Å; C108-H112 VanDerWaalsContact O-CB 3.27Å; C108-H112 WeakPolarHBondContact O-CB 3.32Å; C108-H112 PolarHBondContact O-N 3.2Å | ||
| 109 | Q | 96.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -38.1 | -178.3 | -174.6 | 60.7 | 46.8 | 0 | 0 | 112.6 | R113 | Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.07Å |
| 110 | E | 96.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.1 | -54.9 | 177 | -64.7 | 176.9 | 178.7 | 0 | 0 | 111.6 | C108 H112 R113 K114 | C108-E110 VanDerWaalsContact C-N 3.28Å; C108-E110 PolarHBondContact O-N 3.21Å; E110-H112 VanDerWaalsContact C-N 3.29Å; E110-H112 PolarHBondContact O-N 2.9Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 VanDerWaalsContact O-N 3.17Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 PolarHBondContact O-N 2.74Å |
| 111 | E | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -34.3 | -178.3 | -61.8 | -55.1 | 132.9 | 0 | 0 | 111.6 | I72 Y81 C108 R113 K114 I115 | I72-E111 HydrophobicContact CG2-CG 4.41Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.2Å; Y81-E111 PolarHBondContact OH-OE2 3.4Å; C108-E111 PolarHBondContact O-N 3.47Å; E111-R113 PolarHBondContact O-N 3.37Å; E111-K114 PolarHBondContact O-N 3.01Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 3.34Å; E111-I115 WeakPolarHBondContact O-CB 3.35Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.92Å; E111-I115 PolarHBondContact O-N 3.21Å |
| 112 | H | 97.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.9 | -170.5 | 66.5 | 0 | 0 | 0 | 112.1 | L100 R102 L107 C108 E110 E116 | L100-H112 PolarHBondContact O-CE1 3.15Å; L100-H112 VanDerWaalsContact O-CE1 3.25Å; R102-H112 HydrophobicContact CG-CB 4.11Å; L107-H112 HydrophobicContact CB-CB 4.14Å; C108-H112 VanDerWaalsContact O-CB 3.27Å; C108-H112 WeakPolarHBondContact O-CB 3.32Å; C108-H112 PolarHBondContact O-N 3.2Å; E110-H112 VanDerWaalsContact C-N 3.29Å; E110-H112 PolarHBondContact O-N 2.9Å; H112-E116 WeakPolarHBondContact O-CB 3.16Å; H112-E116 PolarHBondContact O-N 3.09Å |
| 113 | R | 98.1 | Very high | 96.5 | Very high | 141 Ų | 141 | 47.9 Ų | 47.9 | 53% | 0.532 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 176.5 | -72.5 | 177 | 178.1 | 174.7 | 1.9 | 112.3 | Q109 E110 E111 E117 L180 | Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.07Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 VanDerWaalsContact O-N 3.17Å; E111-R113 PolarHBondContact O-N 3.37Å; R113-E117 PolarHBondContact O-N 2.95Å; R113-E117 VanDerWaalsContact O-N 3.09Å; R113-L180 HydrophobicContact CB-CD1 4.09Å |
| 114 | K | 98.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -49.5 | 176.2 | -72.3 | 176.6 | -172.6 | 171.1 | 0 | 111.3 | Y81 E110 E111 E116 E117 C118 L180 L181 | Y81-K114 HydrophobicContact CE2-CB 4.37Å; Y81-K114 WeakPolarHBondContact OH-CB 3.46Å; Y81-K114 WeakPolarHBondContact OH-CD 3.28Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 PolarHBondContact O-N 2.74Å; E111-K114 PolarHBondContact O-N 3.01Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 3.34Å; K114-E116 VanDerWaalsContact C-N 3.34Å; K114-E116 PolarHBondContact O-N 3.46Å; K114-E117 PolarHBondContact O-N 2.99Å; K114-C118 PolarHBondContact O-N 3.23Å; K114-C118 PolarHBondContact O-SG 3.13Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; K114-L180 VanDerWaalsContact CE-O 3.23Å; K114-L180 WeakPolarHBondContact CE-O 3.27Å; K114-L180 HydrophobicContact CG-CB 4.08Å; K114-L181 HydrophobicContact CB-CD2 4.02Å; K114-L181 HydrophobicContact CD-CD2 4.25Å; K114-L181 HydrophobicContact CG-CD2 4.06Å |
| 115 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 177.7 | -69 | 166.2 | 0 | 0 | 0 | 110.6 | I72 Y81 L89 F92 M99 L107 E111 E117 C118 V119 | I72-I115 HydrophobicContact CD1-CD1 4.14Å; I72-I115 HydrophobicContact CG1-CD1 4.02Å; Y81-I115 HydrophobicContact CE2-CG1 3.98Å; L89-I115 HydrophobicContact CD2-CG2 4.07Å; F92-I115 HydrophobicContact CB-CG2 4.25Å; F92-I115 HydrophobicContact CD2-CD1 4.12Å; F92-I115 HydrophobicContact CD2-CG2 4.25Å; F92-I115 HydrophobicContact CE2-CD1 4.08Å; F92-I115 HydrophobicContact CG-CG2 4.5Å; M99-I115 HydrophobicContact CE-CB 4.26Å; M99-I115 HydrophobicContact CE-CG2 3.58Å; M99-I115 HydrophobicContact SD-CG2 4.19Å; L107-I115 HydrophobicContact CD1-CD1 3.62Å; L107-I115 HydrophobicContact CD2-CD1 4.05Å; L107-I115 HydrophobicContact CG-CD1 4.5Å; E111-I115 WeakPolarHBondContact O-CB 3.35Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.92Å; E111-I115 PolarHBondContact O-N 3.21Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.46Å; I115-C118 PolarHBondContact O-N 3.07Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 WeakPolarHBondContact O-CB 2.98Å; I115-V119 VanDerWaalsContact O-CG2 3.28Å; I115-V119 WeakPolarHBondContact O-CG2 3.08Å; I115-V119 PolarHBondContact O-N 2.89Å |
| 116 | E | 98.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 176.2 | -171.4 | -167.5 | 159.6 | 0 | 0 | 111.7 | H112 K114 V119 K120 | H112-E116 WeakPolarHBondContact O-CB 3.16Å; H112-E116 PolarHBondContact O-N 3.09Å; K114-E116 VanDerWaalsContact C-N 3.34Å; K114-E116 PolarHBondContact O-N 3.46Å; E116-V119 PolarHBondContact O-N 3.2Å; E116-K120 WeakPolarHBondContact O-CG 3.41Å; E116-K120 PolarHBondContact O-N 3.17Å; E116-K120 VanDerWaalsContact OE1-CE 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.69Å; E116-K120 PolarHBondContact OE1-NZ 2.79Å |
| 117 | E | 98.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.9 | -38.4 | 178 | -164.4 | 59 | -156.8 | 0 | 0 | 112.4 | R113 K114 I115 K120 M121 R124 S178 L180 | R113-E117 PolarHBondContact O-N 2.95Å; R113-E117 VanDerWaalsContact O-N 3.09Å; K114-E117 PolarHBondContact O-N 2.99Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.46Å; E117-K120 PolarHBondContact O-N 2.94Å; E117-M121 HydrophobicContact CG-CE 4.38Å; E117-M121 WeakPolarHBondContact O-CG 3.1Å; E117-M121 PolarHBondContact O-N 2.91Å; E117-R124 IonicContact OE1-NH1 3.99Å; E117-S178 WeakPolarHBondContact CG-OG 2.93Å; E117-L180 HydrophobicContact CB-CD1 4.46Å |
| 118 | C | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 171.8 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | L89 K114 I115 K120 M121 A122 | L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.66Å; K114-C118 PolarHBondContact O-N 3.23Å; K114-C118 PolarHBondContact O-SG 3.13Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; I115-C118 PolarHBondContact O-N 3.07Å; C118-K120 PolarHBondContact O-N 3.33Å; C118-M121 PolarHBondContact O-N 3.44Å; C118-A122 WeakPolarHBondContact O-CB 3.25Å; C118-A122 PolarHBondContact O-N 2.93Å |
| 119 | V | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L89 I93 M99 I115 E116 M121 A122 H123 | L89-V119 HydrophobicContact CB-CG2 4.25Å; L89-V119 HydrophobicContact CD2-CG2 4.17Å; I93-V119 HydrophobicContact CG2-CB 4.38Å; I93-V119 HydrophobicContact CG2-CG1 3.71Å; I93-V119 HydrophobicContact CG2-CG2 3.65Å; M99-V119 HydrophobicContact SD-CG2 4.35Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 WeakPolarHBondContact O-CB 2.98Å; I115-V119 VanDerWaalsContact O-CG2 3.28Å; I115-V119 WeakPolarHBondContact O-CG2 3.08Å; I115-V119 PolarHBondContact O-N 2.89Å; E116-V119 PolarHBondContact O-N 3.2Å; V119-M121 PolarHBondContact O-N 3.43Å; V119-A122 PolarHBondContact O-N 3.44Å; V119-H123 PolarHBondContact O-CD2 3.43Å; V119-H123 VanDerWaalsContact O-CD2 3.24Å; V119-H123 PolarHBondContact O-N 2.56Å |
| 120 | K | 98 | Very high | 97.5 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.1 | -73.9 | 169.9 | -173.6 | 165.3 | 0 | 112 | E116 E117 C118 R124 | E116-K120 WeakPolarHBondContact O-CG 3.41Å; E116-K120 PolarHBondContact O-N 3.17Å; E116-K120 VanDerWaalsContact OE1-CE 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.69Å; E116-K120 PolarHBondContact OE1-NZ 2.79Å; E117-K120 PolarHBondContact O-N 2.94Å; C118-K120 PolarHBondContact O-N 3.33Å; K120-R124 WeakPolarHBondContact O-CD 3.39Å; K120-R124 VanDerWaalsContact O-CG 3.25Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.3Å |
| 121 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.2 | -71.7 | -171.6 | -68.8 | 0 | 0 | 111.8 | Y83 E117 C118 V119 R124 A125 L181 | Y83-M121 HydrophobicContact CD2-CB 4.48Å; Y83-M121 HydrophobicContact CG-CB 4.32Å; E117-M121 HydrophobicContact CG-CE 4.38Å; E117-M121 WeakPolarHBondContact O-CG 3.1Å; E117-M121 PolarHBondContact O-N 2.91Å; C118-M121 PolarHBondContact O-N 3.44Å; V119-M121 PolarHBondContact O-N 3.43Å; M121-R124 PolarHBondContact O-N 3.3Å; M121-A125 WeakPolarHBondContact O-CB 3.49Å; M121-A125 PolarHBondContact O-N 3.2Å; M121-L181 HydrophobicContact CE-CD1 3.81Å |
| 122 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L89 C118 V119 R124 A125 G126 L127 L128 | L89-A122 HydrophobicContact CD1-CB 4.19Å; C118-A122 WeakPolarHBondContact O-CB 3.25Å; C118-A122 PolarHBondContact O-N 2.93Å; V119-A122 PolarHBondContact O-N 3.44Å; A122-R124 PolarHBondContact O-N 3.25Å; A122-A125 PolarHBondContact O-N 2.9Å; A122-G126 PolarHBondContact O-N 3.35Å; A122-L127 HydrophobicContact CB-CB 4.38Å; A122-L127 HydrophobicContact CB-CD1 4.31Å; A122-L127 PolarHBondContact O-N 2.89Å; A122-L128 HydrophobicContact CB-CD1 4.13Å |
| 123 | H | 97.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.2 | -82.5 | -64 | 0 | 0 | 0 | 112.3 | G97 V119 A125 G126 H131 | G97-H123 WeakPolarHBondContact CA-NE2 3.31Å; G97-H123 PolarHBondContact O-NE2 3.3Å; V119-H123 PolarHBondContact O-CD2 3.43Å; V119-H123 VanDerWaalsContact O-CD2 3.24Å; V119-H123 PolarHBondContact O-N 2.56Å; H123-A125 VanDerWaalsContact C-N 3.31Å; H123-A125 PolarHBondContact O-N 3.02Å; H123-G126 PolarHBondContact O-N 3.17Å; H123-H131 PolarHBondContact CE1-O 3.03Å |
| 124 | R | 97.1 | Very high | 97 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 177.6 | -68.2 | 168.2 | -168.4 | 148.9 | -2.3 | 112.2 | E117 K120 M121 A122 G126 R149 T152 R153 | E117-R124 IonicContact OE1-NH1 3.99Å; K120-R124 WeakPolarHBondContact O-CD 3.39Å; K120-R124 VanDerWaalsContact O-CG 3.25Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.3Å; M121-R124 PolarHBondContact O-N 3.3Å; A122-R124 PolarHBondContact O-N 3.25Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-R149 VanDerWaalsContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CD 3.46Å; R124-R149 WeakPolarHBondContact O-CG 3.5Å; R124-T152 WeakPolarHBondContact CB-OG1 3.5Å; R124-T152 WeakPolarHBondContact CD-OG1 3.34Å; R124-T152 PolarHBondContact NH1-O 3.17Å; R124-R153 PolarHBondContact NH1-O 3.28Å; R124-R153 PolarHBondContact NH2-O 3.15Å |
| 125 | A | 97.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 24% | 0.24 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.9 | -11.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y83 M121 A122 H123 L127 R149 | Y83-A125 HydrophobicContact CE2-CB 4.4Å; M121-A125 WeakPolarHBondContact O-CB 3.49Å; M121-A125 PolarHBondContact O-N 3.2Å; A122-A125 PolarHBondContact O-N 2.9Å; H123-A125 VanDerWaalsContact C-N 3.31Å; H123-A125 PolarHBondContact O-N 3.02Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.14Å; A125-R149 VanDerWaalsContact CA-O 3.3Å; A125-R149 WeakPolarHBondContact CA-O 3.28Å |
| 126 | G | 96.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 66.4 Ų | 66.4 | 55% | 0.546 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 16.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A122 H123 R124 L128 | A122-G126 PolarHBondContact O-N 3.35Å; H123-G126 PolarHBondContact O-N 3.17Å; R124-G126 VanDerWaalsContact C-N 3.28Å; G126-L128 VanDerWaalsContact C-N 3.28Å; G126-L128 PolarHBondContact O-N 3.38Å |
| 127 | L | 97.8 | Very high | 96.5 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | trans | -75.1 | -15.4 | -177.6 | -60.5 | 178.9 | 0 | 0 | 0 | 113.9 | Y83 V86 A122 A125 P129 | Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.25Å; Y83-L127 WeakPolarHBondContact O-CD1 3.4Å; V86-L127 HydrophobicContact CG2-CB 3.77Å; V86-L127 HydrophobicContact CG2-CD1 4.2Å; A122-L127 HydrophobicContact CB-CB 4.38Å; A122-L127 HydrophobicContact CB-CD1 4.31Å; A122-L127 PolarHBondContact O-N 2.89Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.14Å; L127-P129 VanDerWaalsContact O-CD 3.23Å; L127-P129 WeakPolarHBondContact O-CD 3.33Å | ||
| 128 | L | 96.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 75.4 Ų | 75.4 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | trans | -118 | 67.1 | -176.2 | -67.2 | 170.9 | 0 | 0 | 0 | 111.5 | V86 I93 A122 G126 N130 H131 | V86-L128 HydrophobicContact CG1-CD2 3.63Å; I93-L128 HydrophobicContact CD1-CD1 3.95Å; I93-L128 HydrophobicContact CD1-CD2 4.06Å; A122-L128 HydrophobicContact CB-CD1 4.13Å; G126-L128 VanDerWaalsContact C-N 3.28Å; G126-L128 PolarHBondContact O-N 3.38Å; L128-N130 PolarHBondContact O-N 3.37Å; L128-H131 HydrophobicContact CB-CB 4.28Å; L128-H131 PolarHBondContact O-N 2.94Å | ||
| 129 | P | 95.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.3 | -174.9 | 27 | -34.9 | 0 | 0 | 0 | 113.5 | L127 H131 R132 | L127-P129 VanDerWaalsContact O-CD 3.23Å; L127-P129 WeakPolarHBondContact O-CD 3.33Å; P129-H131 VanDerWaalsContact C-N 3.3Å; P129-H131 PolarHBondContact O-N 3.48Å; P129-R132 WeakPolarHBondContact O-CD 3.43Å; P129-R132 WeakPolarHBondContact O-CG 3.27Å; P129-R132 PolarHBondContact O-NE 3.16Å |
| 130 | N | 95.9 | Very high | 95.9 | Very high | 148 Ų | 148 | 84.8 Ų | 84.8 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -15 | -178.4 | -62.3 | -19.7 | 0 | 0 | 0 | 113.1 | L128 R132 | L128-N130 PolarHBondContact O-N 3.37Å; N130-R132 PolarHBondContact O-N 3.37Å |
| 131 | H | 95.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 85.5 Ų | 85.5 | 22% | 0.218 | 48% | 0.475 | C | S | . | . | trans | -101.9 | 57.7 | -177.2 | -62.9 | -87.9 | 0 | 0 | 0 | 111.6 | I93 R94 P95 H123 L128 P129 | I93-H131 HydrophobicContact CD1-CB 4.23Å; R94-H131 PolarHBondContact O-ND1 3.01Å; P95-H131 WeakPolarHBondContact O-CA 3.15Å; H123-H131 PolarHBondContact CE1-O 3.03Å; L128-H131 HydrophobicContact CB-CB 4.28Å; L128-H131 PolarHBondContact O-N 2.94Å; P129-H131 VanDerWaalsContact C-N 3.3Å; P129-H131 PolarHBondContact O-N 3.48Å | ||
| 132 | R | 94.4 | Very high | 95.5 | Very high | 177 Ų | 177 | 94.4 Ų | 94.4 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 153 | 178.5 | -74 | 179.4 | -176.1 | -166.1 | 3.1 | 111.4 | P129 N130 | P129-R132 WeakPolarHBondContact O-CD 3.43Å; P129-R132 WeakPolarHBondContact O-CG 3.27Å; P129-R132 PolarHBondContact O-NE 3.16Å; N130-R132 PolarHBondContact O-N 3.37Å |
| 133 | P | 94.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 100.4 Ų | 100.4 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.6 | 171.4 | 27.1 | -34.4 | 0 | 0 | 0 | 110.2 | L135 | P133-L135 PolarHBondContact O-N 3.2Š|
| 134 | R | 93.1 | Very high | 95 | Very high | 204 Ų | 204 | 105.8 Ų | 105.8 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 130.8 | 170.1 | -73.3 | -179.6 | 175.4 | 164.2 | 9.1 | 108.8 | H96 | H96-R134 VanDerWaalsContact CE1-CD 3.48Å; H96-R134 WeakPolarHBondContact CE1-CD 3.45Å; H96-R134 VanDerWaalsContact CE1-CG 3.47Å; H96-R134 WeakPolarHBondContact CE1-CG 3.34Å; H96-R134 VanDerWaalsContact CE1-CZ 3.48Å; H96-R134 PolarHBondContact CE1-NE 3.32Å; H96-R134 PolarHBondContact NE2-NE 3.49Å |
| 135 | L | 94.1 | Very high | 94.9 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -89.2 | 143.4 | 171.3 | -63.4 | 173.5 | 0 | 0 | 0 | 108.6 | P133 P141 | P133-L135 PolarHBondContact O-N 3.2Å; L135-P141 HydrophobicContact CD1-CG 3.45Å; L135-P141 VanDerWaalsContact CD1-CG 3.45Å |
| 136 | P | 95.4 | Very high | 94.7 | Very high | 90 Ų | 90 | 115.9 Ų | 115.9 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 159.3 | 171.6 | 29.5 | -33.3 | 0 | 0 | 0 | 110.5 | V139 | P136-V139 HydrophobicContact CG-CB 4.17Å; P136-V139 HydrophobicContact CG-CG2 3.66Å; P136-V139 PolarHBondContact O-N 3.11Å |
| 137 | E | 93.9 | Very high | 94.7 | Very high | 200 Ų | 200 | 119 Ų | 119 | 94% | 0.935 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 139.7 | -179.6 | -63.3 | 178.1 | -174.3 | 0 | 0 | 111.2 | V139 | E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.22Å |
| 138 | G | 93.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 123.7 Ų | 123.7 | 87% | 0.866 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.4 | -3.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V140 | G138-V140 PolarHBondContact O-N 3.3Š|
| 139 | V | 95 | Very high | 94.7 | Very high | 77 Ų | 77 | 127.2 Ų | 127.2 | 47% | 0.467 | 68% | 0.675 | S | S | . | * | trans | -91.3 | 107.4 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | P136 E137 | P136-V139 HydrophobicContact CG-CB 4.17Å; P136-V139 HydrophobicContact CG-CG2 3.66Å; P136-V139 PolarHBondContact O-N 3.11Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.22Å | ||
| 140 | V | 94 | Very high | 94.8 | Very high | 126 Ų | 126 | 131.7 Ų | 131.7 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 120.4 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 110 | G138 K142 | G138-V140 PolarHBondContact O-N 3.3Å; V140-K142 PolarHBondContact O-N 3.08Å |
| 141 | P | 92.9 | Very high | 94.9 | Very high | 90 Ų | 90 | 127 Ų | 127 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.7 | 177 | -23.2 | 34.2 | 0 | 0 | 0 | 112.1 | L135 | L135-P141 HydrophobicContact CD1-CG 3.45Å; L135-P141 VanDerWaalsContact CD1-CG 3.45Å |
| 142 | K | 94.9 | Very high | 95 | Very high | 188 Ų | 188 | 126.1 Ų | 126.1 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 147 | 171.3 | -64.2 | -175.3 | 178.8 | -176.3 | 0 | 111 | V140 K144 | V140-K142 PolarHBondContact O-N 3.08Å; K142-K144 PolarHBondContact O-N 2.97Å |
| 143 | S | 93.8 | Very high | 95.1 | Very high | 126 Ų | 126 | 118.8 Ų | 118.8 | 88% | 0.881 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.3 | 169 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 144 | K | 93.3 | Very high | 95.2 | Very high | 175 Ų | 175 | 121.3 Ų | 121.3 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | trans | -113.3 | 151.8 | 173.2 | -67.4 | 179.8 | -178.1 | 177.6 | 0 | 108.5 | K142 Q146 | K142-K144 PolarHBondContact O-N 2.97Å; K144-Q146 PolarHBondContact O-N 2.95Å | ||
| 145 | P | 95 | Very high | 95.4 | Very high | 117 Ų | 117 | 113.6 Ų | 113.6 | 76% | 0.76 | 61% | 0.606 | S | S | * | * | trans | -53.7 | 125.8 | 172.3 | -25.3 | 34.1 | 0 | 0 | 0 | 111 | L147 | P145-L147 PolarHBondContact O-N 3.32Š| ||
| 146 | Q | 93.5 | Very high | 95.4 | Very high | 187 Ų | 187 | 112.4 Ų | 112.4 | 87% | 0.874 | 60% | 0.604 | S | S | * | * | trans | -81.4 | 103 | 178.2 | -66.1 | -175.4 | -3.1 | 0 | 0 | 108.8 | K144 | K144-Q146 PolarHBondContact O-N 2.95Š| ||
| 147 | L | 95.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 112.1 Ų | 112.1 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | trans | -108.3 | 106.7 | -180 | -61.7 | 177.6 | 0 | 0 | 0 | 109.8 | P145 R149 | P145-L147 PolarHBondContact O-N 3.32Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-R149 PolarHBondContact O-NE 3.32Å | ||
| 148 | N | 97.2 | Very high | 95.6 | Very high | 168 Ų | 168 | 106.3 Ų | 106.3 | 90% | 0.898 | 60% | 0.599 | S | S | * | * | trans | -61.3 | 132.2 | 175.2 | -64.5 | -21.5 | 0 | 0 | 0 | 109.9 | ||||
| 149 | R | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 106.4 Ų | 106.4 | 32% | 0.321 | 58% | 0.583 | S | S | . | * | trans | -151.3 | 152.8 | -176.7 | 67.6 | -172.7 | 70.2 | -147.6 | 7.5 | 110.1 | R124 A125 L147 T152 P156 | R124-R149 VanDerWaalsContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CD 3.46Å; R124-R149 WeakPolarHBondContact O-CG 3.5Å; A125-R149 VanDerWaalsContact CA-O 3.3Å; A125-R149 WeakPolarHBondContact CA-O 3.28Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-R149 PolarHBondContact O-NE 3.32Å; R149-T152 HydrophobicContact CB-CG2 3.81Å; R149-T152 HydrophobicContact CG-CG2 4.03Å; R149-P156 VanDerWaalsContact NH1-CB 3.27Å | ||
| 150 | Y | 97.8 | Very high | 95.9 | Very high | 164 Ų | 164 | 111.2 Ų | 111.2 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | trans | -151.8 | 163.9 | 175.9 | 60.7 | -84.9 | 0 | 0 | 0 | 109.3 | T152 | Y150-T152 WeakPolarHBondContact O-CG2 3.32Å; Y150-T152 PolarHBondContact O-N 3Å | ||
| 151 | L | 97.5 | Very high | 96 | Very high | 49 Ų | 49 | 109.1 Ų | 109.1 | 26% | 0.257 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 51.1 | 30.4 | -178.9 | -68.8 | 168.9 | 0 | 0 | 0 | 114.3 | Y83 R153 V176 G177 | Y83-L151 HydrophobicContact CD1-CD2 3.58Å; Y83-L151 HydrophobicContact CD1-CG 4.36Å; Y83-L151 HydrophobicContact CE1-CD2 3.29Å; Y83-L151 HydrophobicContact CE1-CG 3.66Å; L151-R153 PolarHBondContact O-N 3.3Å; L151-V176 HydrophobicContact CB-CG1 3.82Å; L151-V176 HydrophobicContact CD1-CG1 4.23Å; L151-G177 PolarHBondContact O-N 3.45Å |
| 152 | T | 97.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 108.1 Ų | 108.1 | 18% | 0.178 | 58% | 0.576 | C | S | . | * | trans | -84.3 | 112.5 | -175.3 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | R124 R149 Y150 | R124-T152 WeakPolarHBondContact CB-OG1 3.5Å; R124-T152 WeakPolarHBondContact CD-OG1 3.34Å; R124-T152 PolarHBondContact NH1-O 3.17Å; R149-T152 HydrophobicContact CB-CG2 3.81Å; R149-T152 HydrophobicContact CG-CG2 4.03Å; Y150-T152 WeakPolarHBondContact O-CG2 3.32Å; Y150-T152 PolarHBondContact O-N 3Å | ||
| 153 | R | 97 | Very high | 96.4 | Very high | 23 Ų | 23 | 109 Ų | 109 | 9% | 0.087 | 58% | 0.575 | C | S | . | * | trans | -72.9 | -43.9 | 178.4 | -170.4 | -178.2 | -60.7 | 167.6 | 9 | 113.8 | R124 L151 V176 G177 L194 Y195 | R124-R153 PolarHBondContact NH1-O 3.28Å; R124-R153 PolarHBondContact NH2-O 3.15Å; L151-R153 PolarHBondContact O-N 3.3Å; R153-V176 PolarHBondContact NH2-O 2.92Å; R153-G177 WeakPolarHBondContact CB-O 3.23Å; R153-G177 VanDerWaalsContact CZ-O 3.3Å; R153-G177 PolarHBondContact NE-O 3.25Å; R153-G177 PolarHBondContact NH2-O 3.18Å; R153-L194 PolarHBondContact NH2-O 2.87Å; R153-Y195 PolarHBondContact NH1-OH 2.83Å | ||
| 154 | W | 97.5 | Very high | 96.5 | Very high | 147 Ų | 147 | 111.9 Ų | 111.9 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -98.6 | 156.9 | -172.5 | -61 | 115.2 | 0 | 0 | 0 | 112.4 | V159 | W154-V159 HydrophobicContact CB-CG2 3.44Å; W154-V159 VanDerWaalsContact CB-CG2 3.44Å; W154-V159 HydrophobicContact CG-CG2 4.16Å |
| 155 | A | 96.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 109.5 Ų | 109.5 | 36% | 0.355 | 56% | 0.561 | S | S | . | * | trans | -67.5 | 136.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G157 S158 | A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.06Å; A155-S158 PolarHBondContact O-N 3.27Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A155-S158 PolarHBondContact O-OG 3.04Å | ||
| 156 | P | 95.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 106.2 Ų | 106.2 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -58.5 | -36.2 | -174.1 | -28.6 | 37.7 | 0 | 0 | 0 | 114.3 | R149 | R149-P156 VanDerWaalsContact NH1-CB 3.27Š|
| 157 | G | 95.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 100.1 Ų | 100.1 | 88% | 0.876 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -81.2 | -8.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | A155 | A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.06Å |
| 158 | S | 97.1 | Very high | 97 | Very high | 78 Ų | 78 | 106 Ų | 106 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -98.8 | -8.6 | -177.9 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | A155 | A155-S158 PolarHBondContact O-N 3.27Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A155-S158 PolarHBondContact O-OG 3.04Å |
| 159 | V | 97.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 108.9 Ų | 108.9 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 123.1 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | W154 | W154-V159 HydrophobicContact CB-CG2 3.44Å; W154-V159 VanDerWaalsContact CB-CG2 3.44Å; W154-V159 HydrophobicContact CG-CG2 4.16Å |
| 160 | K | 97.4 | Very high | 96.9 | Very high | 178 Ų | 178 | 110.4 Ų | 110.4 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 145 | 170.9 | -66.5 | -176.6 | -179.6 | -179.7 | 0 | 110.4 | ||
| 161 | P | 97.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 107.2 Ų | 107.2 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 142.4 | 175.1 | 27.8 | -35.2 | 0 | 0 | 0 | 111.3 | Y163 | P161-Y163 HydrophobicContact CB-CE1 4.47Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.88Å; P161-Y163 WeakPolarHBondContact CG-OH 3.31Å; P161-Y163 PolarHBondContact O-N 3.28Å |
| 162 | I | 97 | Very high | 96.8 | Very high | 70 Ų | 70 | 108.2 Ų | 108.2 | 36% | 0.359 | 55% | 0.55 | S | S | . | . | trans | -85.1 | 96.9 | 175.5 | -59.4 | 164.2 | 0 | 0 | 0 | 108.2 | K164 K165 V172 M174 | I162-K164 WeakPolarHBondContact CG2-O 3.45Å; I162-K165 HydrophobicContact CG2-CG 4.15Å; I162-V172 HydrophobicContact CD1-CB 4.45Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.24Å; I162-V172 HydrophobicContact CG2-CB 4.18Å; I162-V172 HydrophobicContact CG2-CG1 4.26Å; I162-M174 HydrophobicContact CD1-CG 4.17Å | ||
| 163 | Y | 97.4 | Very high | 96.8 | Very high | 205 Ų | 205 | 109.2 Ų | 109.2 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -70.9 | -35.9 | 178.2 | -62.7 | -69.1 | 0 | 0 | 0 | 113 | P161 | P161-Y163 HydrophobicContact CB-CE1 4.47Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.88Å; P161-Y163 WeakPolarHBondContact CG-OH 3.31Å; P161-Y163 PolarHBondContact O-N 3.28Å |
| 164 | K | 97.1 | Very high | 96.8 | Very high | 188 Ų | 188 | 112.8 Ų | 112.8 | 82% | 0.817 | 58% | 0.577 | S | S | * | * | trans | -120.4 | 109.4 | -179.1 | -63.6 | -179.2 | -179.3 | -179.5 | 0 | 109.5 | I162 | I162-K164 WeakPolarHBondContact CG2-O 3.45Š| ||
| 165 | K | 96.1 | Very high | 96.9 | Very high | 124 Ų | 124 | 107.9 Ų | 107.9 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | trans | -79.5 | -23.6 | -177.8 | -70.6 | -177.5 | -179.5 | 174.6 | 0 | 114.2 | I162 K171 V172 | I162-K165 HydrophobicContact CG2-CG 4.15Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.33Å; K165-V172 PolarHBondContact O-N 3.25Å | ||
| 166 | G | 96.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 108 Ų | 108 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | trans | 80.4 | 169.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 167 | P | 97.6 | Very high | 97 | Very high | 59 Ų | 59 | 104.7 Ų | 104.7 | 38% | 0.383 | 54% | 0.539 | S | S | . | . | trans | -71.4 | 169.3 | 176.1 | 32.3 | -36.5 | 0 | 0 | 0 | 111.8 | W169 N170 K171 | P167-W169 VanDerWaalsContact C-N 3.28Å; P167-W169 HydrophobicContact CB-CD2 3.93Å; P167-W169 HydrophobicContact CB-CE3 4.16Å; P167-W169 HydrophobicContact CB-CH2 3.76Å; P167-W169 HydrophobicContact CB-CZ2 3.5Å; P167-W169 VanDerWaalsContact CB-CZ2 3.5Å; P167-W169 HydrophobicContact CB-CZ3 4.08Å; P167-W169 HydrophobicContact CG-CD2 4.02Å; P167-W169 HydrophobicContact CG-CG 4.41Å; P167-W169 HydrophobicContact CG-CH2 4.37Å; P167-W169 HydrophobicContact CG-CZ2 3.59Å; P167-W169 PolarHBondContact O-N 2.9Å; P167-W169 VanDerWaalsContact O-N 3.16Å; P167-N170 HydrophobicContact CG-CB 4.39Å; P167-N170 CarbonylContact O-C 3.21Å; P167-N170 PolarHBondContact O-N 2.07Å; P167-K171 WeakPolarHBondContact O-CA 3.37Å; P167-K171 PolarHBondContact O-N 2.89Å | ||
| 168 | R | 96.8 | Very high | 97.1 | Very high | 243 Ų | 243 | 100.9 Ų | 100.9 | 92% | 0.917 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -54.7 | -38.2 | -174.1 | -70.1 | -176 | -179.8 | 177.3 | 0.7 | 114.2 | ||
| 169 | W | 96.1 | Very high | 97.1 | Very high | 227 Ų | 227 | 99.9 Ų | 99.9 | 86% | 0.86 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -78.6 | -14 | -179.3 | 56.6 | 84.9 | 0 | 0 | 0 | 114.3 | P167 | P167-W169 VanDerWaalsContact C-N 3.28Å; P167-W169 HydrophobicContact CB-CD2 3.93Å; P167-W169 HydrophobicContact CB-CE3 4.16Å; P167-W169 HydrophobicContact CB-CH2 3.76Å; P167-W169 HydrophobicContact CB-CZ2 3.5Å; P167-W169 VanDerWaalsContact CB-CZ2 3.5Å; P167-W169 HydrophobicContact CB-CZ3 4.08Å; P167-W169 HydrophobicContact CG-CD2 4.02Å; P167-W169 HydrophobicContact CG-CG 4.41Å; P167-W169 HydrophobicContact CG-CH2 4.37Å; P167-W169 HydrophobicContact CG-CZ2 3.59Å; P167-W169 PolarHBondContact O-N 2.9Å; P167-W169 VanDerWaalsContact O-N 3.16Å |
| 170 | N | 96.4 | Very high | 97.1 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -137.3 | 47.3 | 177.3 | -169.1 | 16.5 | 0 | 0 | 0 | 110.2 | P167 | P167-N170 HydrophobicContact CG-CB 4.39Å; P167-N170 CarbonylContact O-C 3.21Å; P167-N170 PolarHBondContact O-N 2.07Å |
| 171 | K | 96.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 91.6 Ų | 91.6 | 42% | 0.422 | 45% | 0.452 | S | S | . | . | trans | -78.8 | 129.1 | -177.9 | -174.1 | -174.9 | 175.9 | -159.5 | 0 | 109.7 | K165 P167 C173 H196 | K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.33Å; P167-K171 WeakPolarHBondContact O-CA 3.37Å; P167-K171 PolarHBondContact O-N 2.89Å; K171-C173 PolarHBondContact O-N 2.75Å; K171-H196 PolarHBondContact NZ-OXT 2.94Å | ||
| 172 | V | 97.3 | Very high | 97 | Very high | 70 Ų | 70 | 94.8 Ų | 94.8 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | trans | -76.6 | 104.4 | 170.2 | -173 | 0 | 0 | 0 | 0 | 109 | I162 K165 | I162-V172 HydrophobicContact CD1-CB 4.45Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.24Å; I162-V172 HydrophobicContact CG2-CB 4.18Å; I162-V172 HydrophobicContact CG2-CG1 4.26Å; K165-V172 PolarHBondContact O-N 3.25Å | ||
| 173 | C | 97 | Very high | 96.9 | Very high | 50 Ų | 50 | 96.5 Ų | 96.5 | 34% | 0.338 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 152.7 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | K171 Y195 H196 | K171-C173 PolarHBondContact O-N 2.75Å; C173-Y195 HydrophobicContact CB-CD1 4.45Å; C173-H196 CarbonylContact C-O 3.58Å; C173-H196 WeakPolarHBondContact CA-O 3.15Å |
| 174 | M | 97.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 125.7 | 177.5 | -66.9 | 173.5 | -72.5 | 0 | 0 | 110.1 | I162 Y195 H196 | I162-M174 HydrophobicContact CD1-CG 4.17Å; M174-Y195 WeakPolarHBondContact O-CA 2.96Å; M174-H196 PolarHBondContact N-O 3.25Å; M174-H196 PolarHBondContact O-N 3.17Å |
| 175 | P | 97.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 81.6 Ų | 81.6 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 132.3 | -179.8 | 28.1 | -32.4 | 0 | 0 | 0 | 111.7 | L194 Y195 | P175-L194 WeakPolarHBondContact CA-O 3.31Å; P175-Y195 HydrophobicContact CB-CD1 4.09Å; P175-Y195 HydrophobicContact CB-CE1 3.85Å |
| 176 | V | 97.8 | Very high | 97 | Very high | 45 Ų | 45 | 77.8 Ų | 77.8 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | trans | -128.7 | 138.4 | 176 | -176.7 | 0 | 0 | 0 | 0 | 109 | L151 R153 L194 | L151-V176 HydrophobicContact CB-CG1 3.82Å; L151-V176 HydrophobicContact CD1-CG1 4.23Å; R153-V176 PolarHBondContact NH2-O 2.92Å; V176-L194 PolarHBondContact N-O 3.03Å; V176-L194 CarbonylContact O-C 3.59Å; V176-L194 WeakPolarHBondContact O-CA 3.39Å; V176-L194 VanDerWaalsContact O-O 3.13Å | ||
| 177 | G | 96.6 | Very high | 97 | Very high | 6 Ų | 6 | 85.4 Ų | 85.4 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 66.1 | -165.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L151 R153 | L151-G177 PolarHBondContact O-N 3.45Å; R153-G177 WeakPolarHBondContact CB-O 3.23Å; R153-G177 VanDerWaalsContact CZ-O 3.3Å; R153-G177 PolarHBondContact NE-O 3.25Å; R153-G177 PolarHBondContact NH2-O 3.18Å |
| 178 | S | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 85.6 Ų | 85.6 | 4% | 0.035 | 42% | 0.415 | C | S | . | . | trans | -116.1 | 137.9 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 112 | E117 L180 L181 | E117-S178 WeakPolarHBondContact CG-OG 2.93Å; S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 PolarHBondContact OG-N 3.07Å; S178-L181 PolarHBondContact O-N 3.31Å | ||
| 179 | P | 97.6 | Very high | 97 | Very high | 56 Ų | 56 | 86.3 Ų | 86.3 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.4 | 173 | 29.7 | -35.1 | 0 | 0 | 0 | 113.1 | L181 R182 L194 | P179-L181 PolarHBondContact O-N 2.94Å; P179-R182 VanDerWaalsContact O-CB 3.31Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 3.36Å; P179-L194 HydrophobicContact CB-CD1 4.28Å |
| 180 | L | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 80.2 Ų | 80.2 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -68.4 | -19.2 | 178.2 | -59.2 | 179.9 | 0 | 0 | 0 | 113 | R113 K114 E117 S178 | R113-L180 HydrophobicContact CB-CD1 4.09Å; K114-L180 VanDerWaalsContact CE-O 3.23Å; K114-L180 WeakPolarHBondContact CE-O 3.27Å; K114-L180 HydrophobicContact CG-CB 4.08Å; E117-L180 HydrophobicContact CB-CD1 4.46Å; S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 PolarHBondContact OG-N 3.07Å |
| 181 | L | 96.8 | Very high | 97 | Very high | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -100.1 | 12.4 | 179.4 | -58.5 | 175.6 | 0 | 0 | 0 | 112.2 | K114 M121 S178 P179 D183 N184 | K114-L181 HydrophobicContact CB-CD2 4.02Å; K114-L181 HydrophobicContact CD-CD2 4.25Å; K114-L181 HydrophobicContact CG-CD2 4.06Å; M121-L181 HydrophobicContact CE-CD1 3.81Å; S178-L181 PolarHBondContact O-N 3.31Å; P179-L181 PolarHBondContact O-N 2.94Å; L181-D183 PolarHBondContact O-N 3.1Å; L181-N184 WeakPolarHBondContact O-CB 3.42Å; L181-N184 PolarHBondContact O-N 2.98Å; L181-N184 VanDerWaalsContact O-N 3.17Å |
| 182 | R | 95.8 | Very high | 96.9 | Very high | 149 Ų | 149 | 81.5 Ų | 81.5 | 56% | 0.562 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -35 | -179.9 | -177.9 | -178.9 | -66.1 | -176.3 | -0.6 | 112.3 | P179 N184 | P179-R182 VanDerWaalsContact O-CB 3.31Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 3.36Å; R182-N184 PolarHBondContact O-N 3.43Å |
| 183 | D | 96.1 | Very high | 96.9 | Very high | 107 Ų | 107 | 84.8 Ų | 84.8 | 57% | 0.572 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.7 | -176.2 | -49.1 | -27.1 | 0 | 0 | 0 | 112.5 | H79 L181 | H79-D183 PolarHBondContact ND1-O 3.21Å; L181-D183 PolarHBondContact O-N 3.1Å |
| 184 | N | 97.2 | Very high | 96.9 | Very high | 19 Ų | 19 | 83.3 Ų | 83.3 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -63.7 | 147.1 | 175.9 | -81.5 | 8.4 | 0 | 0 | 0 | 110.7 | H79 Y81 L181 R182 C186 W192 | H79-N184 WeakPolarHBondContact O-CA 3.37Å; Y81-N184 PolarHBondContact O-ND2 3.41Å; L181-N184 WeakPolarHBondContact O-CB 3.42Å; L181-N184 PolarHBondContact O-N 2.98Å; L181-N184 VanDerWaalsContact O-N 3.17Å; R182-N184 PolarHBondContact O-N 3.43Å; N184-C186 PolarHBondContact O-N 3.37Å; N184-C186 VanDerWaalsContact O-N 3.07Å; N184-W192 PolarHBondContact O-NE1 2.88Å |
| 185 | V | 97.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 84 Ų | 84 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | trans | -55.3 | 118.5 | 179 | 179.3 | 0 | 0 | 0 | 0 | 109 | H79 Y187 | H79-V185 HydrophobicContact CB-CG2 4.13Å; H79-V185 PolarHBondContact O-N 3.02Å; V185-Y187 HydrophobicContact CB-CE2 4.41Å; V185-Y187 HydrophobicContact CG1-CD1 4.22Å; V185-Y187 HydrophobicContact CG1-CD2 4.36Å; V185-Y187 HydrophobicContact CG1-CE1 3.79Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å | ||
| 186 | C | 96.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 86.6 Ų | 86.6 | 30% | 0.297 | 42% | 0.417 | S | S | . | . | trans | -98.7 | 115.9 | 172.4 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | N184 S188 T190 W192 | N184-C186 PolarHBondContact O-N 3.37Å; N184-C186 VanDerWaalsContact O-N 3.07Å; C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact SG-O 2.81Å; C186-S188 PolarHBondContact SG-OG 3.44Å; C186-T190 PolarHBondContact SG-O 2.73Å; C186-W192 HydrophobicContact CB-CZ2 4.32Å | ||
| 187 | Y | 96.4 | Very high | 96.7 | Very high | 207 Ų | 207 | 88.7 Ų | 88.7 | 81% | 0.812 | 42% | 0.424 | S | S | * | . | trans | -81.7 | -7.9 | 176 | -63.4 | -76.8 | 0 | 0 | 0 | 112.9 | V185 | V185-Y187 HydrophobicContact CB-CE2 4.41Å; V185-Y187 HydrophobicContact CG1-CD1 4.22Å; V185-Y187 HydrophobicContact CG1-CD2 4.36Å; V185-Y187 HydrophobicContact CG1-CE1 3.79Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å | ||
| 188 | S | 97.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 93 Ų | 93 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -101.9 | 160.3 | 177.6 | 82.4 | 0 | 0 | 0 | 0 | 111.4 | C186 T190 | C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact SG-O 2.81Å; C186-S188 PolarHBondContact SG-OG 3.44Å; S188-T190 PolarHBondContact O-N 3.44Å; S188-T190 PolarHBondContact OG-N 3.38Å; S188-T190 PolarHBondContact OG-O 3.27Å; S188-T190 PolarHBondContact OG-OG1 3.17Å |
| 189 | R | 96.9 | Very high | 96.7 | Very high | 257 Ų | 257 | 97.9 Ų | 97.9 | 97% | 0.97 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -69.1 | -25.6 | 174 | -64.6 | -175.3 | -179.3 | -179.1 | 0.4 | 112.6 | ||
| 190 | T | 96.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 100.4 Ų | 100.4 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -84.2 | 131 | -179.4 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | C186 S188 | C186-T190 PolarHBondContact SG-O 2.73Å; S188-T190 PolarHBondContact O-N 3.44Å; S188-T190 PolarHBondContact OG-N 3.38Å; S188-T190 PolarHBondContact OG-O 3.27Å; S188-T190 PolarHBondContact OG-OG1 3.17Å |
| 191 | P | 96.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | trans | -70.5 | 161.9 | 177.2 | 30.4 | -35.5 | 0 | 0 | 0 | 111.5 | K193 | P191-K193 PolarHBondContact O-N 2.85Å; P191-K193 VanDerWaalsContact O-N 3.11Å | ||
| 192 | W | 96.3 | Very high | 96.6 | Very high | 130 Ų | 130 | 107.8 Ų | 107.8 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | trans | -59.5 | 114.1 | 175.2 | -59.3 | 114.5 | 0 | 0 | 0 | 111.5 | N184 C186 L194 | N184-W192 PolarHBondContact O-NE1 2.88Å; C186-W192 HydrophobicContact CB-CZ2 4.32Å; W192-L194 PolarHBondContact O-N 3.15Å | ||
| 193 | K | 97 | Very high | 96.6 | Very high | 139 Ų | 139 | 104.9 Ų | 104.9 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | trans | -83.8 | 111.6 | 175.3 | -169.8 | 172.9 | -178.4 | 176.3 | 0 | 109.8 | P191 Y195 H196 | P191-K193 PolarHBondContact O-N 2.85Å; P191-K193 VanDerWaalsContact O-N 3.11Å; K193-Y195 WeakPolarHBondContact CE-O 3.48Å; K193-Y195 WeakPolarHBondContact CG-O 3.48Å; K193-H196 PolarHBondContact O-NE2 3.38Å | ||
| 194 | L | 97.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 104.7 Ų | 104.7 | 10% | 0.099 | 49% | 0.494 | C | S | . | . | trans | -100.1 | -2.2 | -175.4 | -62.7 | 174.2 | 0 | 0 | 0 | 114.1 | R153 P175 V176 P179 W192 | R153-L194 PolarHBondContact NH2-O 2.87Å; P175-L194 WeakPolarHBondContact CA-O 3.31Å; V176-L194 PolarHBondContact N-O 3.03Å; V176-L194 CarbonylContact O-C 3.59Å; V176-L194 WeakPolarHBondContact O-CA 3.39Å; V176-L194 VanDerWaalsContact O-O 3.13Å; P179-L194 HydrophobicContact CB-CD1 4.28Å; W192-L194 PolarHBondContact O-N 3.15Å | ||
| 195 | Y | 97.4 | Very high | 96.6 | Very high | 113 Ų | 113 | 111.8 Ų | 111.8 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | B | Isolated β-bridge | trans | -142.4 | 129 | -178.2 | -65.9 | -82.8 | 0 | 0 | 0 | 109.7 | R153 C173 M174 P175 K193 | R153-Y195 PolarHBondContact NH1-OH 2.83Å; C173-Y195 HydrophobicContact CB-CD1 4.45Å; M174-Y195 WeakPolarHBondContact O-CA 2.96Å; P175-Y195 HydrophobicContact CB-CD1 4.09Å; P175-Y195 HydrophobicContact CB-CE1 3.85Å; K193-Y195 WeakPolarHBondContact CE-O 3.48Å; K193-Y195 WeakPolarHBondContact CG-O 3.48Å |
| 196 | H | 94.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 116.5 Ų | 116.5 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | trans | -120.5 | 0 | -175.8 | -70.2 | -106.9 | 0 | 0 | 0 | 112.8 | K171 C173 M174 K193 | K171-H196 PolarHBondContact NZ-OXT 2.94Å; C173-H196 CarbonylContact C-O 3.58Å; C173-H196 WeakPolarHBondContact CA-O 3.15Å; M174-H196 PolarHBondContact N-O 3.25Å; M174-H196 PolarHBondContact O-N 3.17Å; K193-H196 PolarHBondContact O-NE2 3.38Å |
Retrieved 196 of 196 residues in 236.2 ms
(Link to these results)