| 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 | 43.3 | Very low | 39.2 | Very low | 246 Ų | 246 | 163.2 Ų | 163.2 | 100% | 1.212 | 86% | 0.864 | S | S | * | * | 0 | 154.6 | 0 | -79.8 | 170.4 | 164.9 | 0 | 0 | 108.6 | |||||
| 2 | C | 35.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 168.6 Ų | 168.6 | 85% | 0.851 | 86% | 0.864 | S | S | * | * | trans | 80.8 | 76.1 | -167.4 | -71.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | Q | 35.9 | Very low | 38.5 | Very low | 177 Ų | 177 | 163 Ų | 163 | 83% | 0.827 | 86% | 0.859 | S | S | * | * | 81.3 | 100.6 | 71.9 | -162.5 | 163.7 | 1.9 | 0 | 0 | 112.2 | L5 | Q3-L5 PolarHBondContact O-N 3.14Š| |||
| 4 | R | 42.3 | Very low | 38.1 | Very low | 244 Ų | 244 | 158.8 Ų | 158.8 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -70 | 118.4 | 172.5 | -70.2 | -179.4 | 170.4 | -157.9 | -2.8 | 109.1 | ||||
| 5 | L | 39.4 | Very low | 37.6 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | trans | -92.3 | 111.7 | 163.1 | -94.4 | 109.3 | 0 | 0 | 0 | 108.9 | Q3 | Q3-L5 PolarHBondContact O-N 3.14Š| ||
| 6 | L | 39.7 | Very low | 37.6 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -83.3 | 108.8 | 166 | -77.6 | 156 | 0 | 0 | 0 | 107.8 | ||||
| 7 | L | 38.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 79% | 0.791 | 84% | 0.842 | S | S | * | * | trans | -87.7 | 105.7 | 169.2 | -87.4 | 143 | 0 | 0 | 0 | 108.7 | L9 | L7-L9 PolarHBondContact O-N 3.48Š| ||
| 8 | S | 38.8 | Very low | 37.5 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -73.5 | 107.7 | 169 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | A10 | S8-A10 PolarHBondContact O-N 3.41Š| ||
| 9 | L | 39.8 | Very low | 38 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -77.8 | 110.8 | 168.3 | -85.2 | 109.2 | 0 | 0 | 0 | 109.8 | L7 L11 | L7-L9 PolarHBondContact O-N 3.48Å; L9-L11 PolarHBondContact O-N 2.81Å | ||
| 10 | A | 41.2 | Very low | 38 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -74.8 | 110.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | S8 W12 | S8-A10 PolarHBondContact O-N 3.41Å; A10-W12 PolarHBondContact O-N 3.32Å | ||
| 11 | L | 36.3 | Very low | 38 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -71 | 104 | 170.7 | -82.8 | 133.9 | 0 | 0 | 0 | 109.3 | L9 A13 | L9-L11 PolarHBondContact O-N 2.81Å; L11-A13 PolarHBondContact O-N 2.82Å | ||
| 12 | W | 35.2 | Very low | 37.9 | Very low | 228 Ų | 228 | 131.8 Ų | 131.8 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -77.7 | 105.4 | 164.7 | -77.3 | 47.7 | 0 | 0 | 0 | 107.9 | A10 S14 | A10-W12 PolarHBondContact O-N 3.32Å; W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.49Å | ||
| 13 | A | 34.6 | Very low | 38 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 89.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | L11 C15 | L11-A13 PolarHBondContact O-N 2.82Å; A13-C15 PolarHBondContact O-N 2.87Å; A13-C15 VanDerWaalsContact O-N 3.07Å | ||
| 14 | S | 31.9 | Very low | 38 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -69.9 | 98.9 | 168 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | W12 S16 | W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.49Å; S14-S16 PolarHBondContact O-N 2.95Å | ||
| 15 | C | 30.7 | Very low | 38 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 86% | 0.858 | 72% | 0.719 | S | S | * | * | trans | -61.5 | 101 | 165.7 | -80.3 | 0 | 0 | 0 | 0 | 109.2 | A13 | A13-C15 PolarHBondContact O-N 2.87Å; A13-C15 VanDerWaalsContact O-N 3.07Å | ||
| 16 | S | 38.4 | Very low | 38.2 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.9 | 161.1 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | S14 G18 | S14-S16 PolarHBondContact O-N 2.95Å; S16-G18 PolarHBondContact O-N 3.15Å; S16-G18 VanDerWaalsContact O-N 3.11Å |
| 17 | P | 36.5 | Very low | 38.6 | Very low | 128 Ų | 128 | 111.4 Ų | 111.4 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.3 | 174.9 | 22.3 | -24.9 | 0 | 0 | 0 | 108.7 | N19 | P17-N19 PolarHBondContact O-N 2.99Š|
| 18 | G | 37.1 | Very low | 39.4 | Very low | 60 Ų | 60 | 107 Ų | 107 | 62% | 0.619 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S16 T20 | S16-G18 PolarHBondContact O-N 3.15Å; S16-G18 VanDerWaalsContact O-N 3.11Å; G18-T20 VanDerWaalsContact C-N 3.31Å; G18-T20 PolarHBondContact O-N 2.93Å |
| 19 | N | 46 | Very low | 40.7 | Very low | 125 Ų | 125 | 105.8 Ų | 105.8 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | trans | -64.1 | 85 | 176.7 | -167.9 | 11.3 | 0 | 0 | 0 | 110.5 | P17 G21 T22 | P17-N19 PolarHBondContact O-N 2.99Å; N19-G21 PolarHBondContact O-N 2.87Å; N19-T22 PolarHBondContact ND2-OG1 2.96Å; N19-T22 PolarHBondContact O-OG1 2.84Å | ||
| 20 | T | 38.8 | Very low | 42.2 | Very low | 109 Ų | 109 | 98.4 Ų | 98.4 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11.9 | 176.1 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | G18 | G18-T20 VanDerWaalsContact C-N 3.31Å; G18-T20 PolarHBondContact O-N 2.93Å |
| 21 | G | 37.6 | Very low | 44.4 | Very low | 43 Ų | 43 | 103.2 Ų | 103.2 | 44% | 0.443 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.8 | -33.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N19 A25 | N19-G21 PolarHBondContact O-N 2.87Å; G21-A25 PolarHBondContact O-N 2.89Å |
| 22 | T | 42.4 | Very low | 47.1 | Very low | 94 Ų | 94 | 96.1 Ų | 96.1 | 58% | 0.577 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74 | -31.6 | -176.9 | 12.9 | 0 | 0 | 0 | 0 | 113.8 | N19 | N19-T22 PolarHBondContact ND2-OG1 2.96Å; N19-T22 PolarHBondContact O-OG1 2.84Å |
| 23 | A | 35.9 | Very low | 50 | Low | 66 Ų | 66 | 94.1 Ų | 94.1 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -78.5 | -35.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 24 | L | 37.1 | Very low | 52.9 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 65% | 0.654 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.2 | -31.3 | 175.9 | -84.5 | 154.7 | 0 | 0 | 0 | 112.5 | A26 L27 | L24-A26 PolarHBondContact O-N 2.74Å; L24-L27 PolarHBondContact O-N 3.17Å |
| 25 | A | 42.7 | Very low | 56.1 | Low | 50 Ų | 50 | 88.8 Ų | 88.8 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -32.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G21 L27 S28 | G21-A25 PolarHBondContact O-N 2.89Å; A25-L27 VanDerWaalsContact C-N 3.29Å; A25-L27 PolarHBondContact O-N 3.2Å; A25-S28 PolarHBondContact O-OG 2.73Å; A25-S28 VanDerWaalsContact O-OG 3.14Å |
| 26 | A | 43.7 | Very low | 59.2 | Low | 67 Ų | 67 | 82.8 Ų | 82.8 | 55% | 0.554 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.4 | -21.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L24 | L24-A26 PolarHBondContact O-N 2.74Å |
| 27 | L | 46.2 | Very low | 62 | Low | 130 Ų | 130 | 78.4 Ų | 78.4 | 68% | 0.681 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3 | -178.8 | -76.5 | 165.9 | 0 | 0 | 0 | 114 | L24 A25 L50 | L24-L27 PolarHBondContact O-N 3.17Å; A25-L27 VanDerWaalsContact C-N 3.29Å; A25-L27 PolarHBondContact O-N 3.2Å; L27-L50 WeakPolarHBondContact O-CD1 3.46Å |
| 28 | S | 57.2 | Low | 64.9 | Low | 58 Ų | 58 | 75.8 Ų | 75.8 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -114.8 | 2.9 | -178.5 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | A25 S114 | A25-S28 PolarHBondContact O-OG 2.73Å; A25-S28 VanDerWaalsContact O-OG 3.14Å; S28-S114 PolarHBondContact O-OG 3.24Å; S28-S114 VanDerWaalsContact O-OG 3.08Å |
| 29 | Q | 66.4 | Low | 67.6 | Low | 93 Ų | 93 | 73.1 Ų | 73.1 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -88.9 | 120.8 | -178.6 | -80.2 | -176.2 | -20.9 | 0 | 0 | 112.5 | R31 L50 S115 S116 | Q29-R31 PolarHBondContact O-N 3.21Å; Q29-L50 VanDerWaalsContact C-CD1 3.48Å; Q29-L50 WeakPolarHBondContact O-CD1 3.38Å; Q29-S115 PolarHBondContact NE2-O 2.96Å; Q29-S115 VanDerWaalsContact NE2-O 3.16Å; Q29-S116 WeakPolarHBondContact CB-OG 3.31Å |
| 30 | P | 71.3 | Confident | 69.9 | Low | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | trans | -54.6 | 134 | -179.9 | 20.1 | -30.5 | 0 | 0 | 0 | 111.4 | V32 W47 V105 S116 | P30-V32 PolarHBondContact O-N 2.82Å; P30-V32 VanDerWaalsContact O-N 3.12Å; P30-W47 HydrophobicContact CB-CB 4.13Å; P30-W47 HydrophobicContact CB-CG 4.36Å; P30-V105 HydrophobicContact CG-CG1 4.38Å; P30-S116 WeakPolarHBondContact CD-OG 3.32Å; P30-S116 WeakPolarHBondContact CG-OG 3.36Å; P30-S116 VanDerWaalsContact N-OG 3.17Å; P30-S116 WeakPolarHBondContact O-CB 3.5Å; P30-S116 PolarHBondContact O-OG 2.82Å | ||
| 31 | R | 85.6 | Confident | 72.7 | Confident | 182 Ų | 182 | 65.7 Ų | 65.7 | 69% | 0.687 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 96.7 | 177.5 | -70.5 | -175 | 177 | -172.2 | -1 | 109.3 | Q29 W47 T48 | Q29-R31 PolarHBondContact O-N 3.21Å; R31-W47 WeakPolarHBondContact O-CA 3.07Å; R31-T48 PolarHBondContact O-N 2.76Å |
| 32 | V | 93.6 | Very high | 75.5 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 139 | -177.8 | -169.4 | 0 | 0 | 0 | 0 | 111 | P30 W47 L103 V105 L118 | P30-V32 PolarHBondContact O-N 2.82Å; P30-V32 VanDerWaalsContact O-N 3.12Å; V32-W47 HydrophobicContact CG2-CB 4.14Å; V32-L103 HydrophobicContact CG1-CD2 3.71Å; V32-V105 HydrophobicContact CG1-CG2 4.21Å; V32-V105 HydrophobicContact CG2-CB 4.09Å; V32-V105 HydrophobicContact CG2-CG2 3.89Å; V32-L118 HydrophobicContact CB-CB 4.4Å; V32-L118 HydrophobicContact CB-CD2 4.19Å; V32-L118 HydrophobicContact CG1-CB 4.39Å; V32-L118 HydrophobicContact CG1-CD2 3.86Å |
| 33 | R | 95.6 | Very high | 78.1 | Confident | 187 Ų | 187 | 59.2 Ų | 59.2 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.3 | 173.8 | -65.6 | -178.6 | 176.7 | 176.4 | -1.3 | 109.3 | C45 S46 | R33-C45 CarbonylContact O-C 3.58Å; R33-C45 VanDerWaalsContact O-CA 3.28Å; R33-C45 WeakPolarHBondContact O-CA 3.48Å; R33-S46 PolarHBondContact N-O 2.76Å; R33-S46 PolarHBondContact O-N 2.83Å |
| 34 | C | 97.3 | Very high | 81.1 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.6 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | V43 D44 C45 L118 F120 I125 | C34-V43 HydrophobicContact CB-CG1 3.82Å; C34-D44 CarbonylContact C-O 3.47Å; C34-D44 WeakPolarHBondContact CA-O 3.5Å; C34-C45 HydrophobicContact CB-CB 4.15Å; C34-C45 WeakPolarHBondContact CB-SG 3.47Å; C34-C45 WeakPolarHBondContact SG-CB 3.33Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 2.94Å; C34-L118 HydrophobicContact CB-CD2 4.28Å; C34-F120 HydrophobicContact CB-CD1 4.26Å; C34-F120 HydrophobicContact CB-CE1 4.21Å; C34-I125 HydrophobicContact CB-CD1 3.89Å |
| 35 | R | 97.3 | Very high | 83.9 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.8 | -180 | -168.3 | -177.2 | -168.9 | -161.8 | 0.6 | 110.1 | D44 K127 P128 D129 | R35-D44 PolarHBondContact N-O 2.89Å; R35-D44 PolarHBondContact O-N 2.87Å; R35-K127 HydrophobicContact CG-CB 4.04Å; R35-K127 PolarHBondContact NE-O 2.88Å; R35-K127 PolarHBondContact NH2-O 3.45Å; R35-K127 VanDerWaalsContact NH2-O 3.12Å; R35-P128 PolarHBondContact NH2-O 2.88Å; R35-D129 IonicContact CZ-OD1 3.45Å; R35-D129 IonicContact NH1-OD1 3.21Å; R35-D129 PolarHBondContact NH1-OD1 2.85Å; R35-D129 IonicContact NH2-OD1 2.84Å |
| 36 | A | 97.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 79.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V43 I125 I126 K127 | A36-V43 HydrophobicContact CB-CG2 4.15Å; A36-I125 HydrophobicContact CB-CG1 4.26Å; A36-I125 PolarHBondContact N-O 3.43Å; A36-I126 HydrophobicContact CB-CG1 4.24Å; A36-K127 PolarHBondContact O-N 3.18Å; A36-K127 VanDerWaalsContact O-N 3.11Å |
| 37 | S | 97.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -21.9 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | W153 | S37-W153 VanDerWaalsContact O-CE3 3.29Å |
| 38 | R | 95.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 28% | 0.275 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 36.8 | 179.6 | 60.4 | -171.4 | -116.3 | -124.8 | 5.8 | 112.6 | V41 A42 D44 T89 S152 | R38-V41 WeakPolarHBondContact O-CB 3.3Å; R38-V41 PolarHBondContact O-N 3.41Å; R38-A42 HydrophobicContact CG-CB 4.25Å; R38-A42 PolarHBondContact O-N 2.85Å; R38-D44 WeakPolarHBondContact CD-OD2 3.45Å; R38-D44 IonicContact NH1-OD1 2.8Å; R38-D44 PolarHBondContact NH1-OD1 3.3Å; R38-D44 IonicContact NH1-OD2 3.22Å; R38-D44 PolarHBondContact NH1-OD2 3.07Å; R38-T89 PolarHBondContact NH1-OG1 3.16Å; R38-S152 VanDerWaalsContact CA-O 3.26Å; R38-S152 WeakPolarHBondContact CA-O 3.29Å; R38-S152 WeakPolarHBondContact CB-O 3.26Å |
| 39 | Y | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 139.8 | 178.5 | -177.6 | -94 | 0 | 0 | 0 | 110.4 | V93 L95 A122 E123 I126 W153 F159 | Y39-V93 HydrophobicContact CD2-CG1 4.33Å; Y39-V93 HydrophobicContact CE2-CG1 4Å; Y39-L95 HydrophobicContact CE1-CD2 4.06Å; Y39-L95 HydrophobicContact CE2-CD2 4.28Å; Y39-L95 WeakPolarHBondContact OH-CD2 3.19Å; Y39-A122 HydrophobicContact CE2-CB 4.49Å; Y39-E123 HydrophobicContact CE2-CG 4.49Å; Y39-I126 HydrophobicContact CD1-CD1 3.73Å; Y39-I126 HydrophobicContact CD1-CG1 4.38Å; Y39-I126 HydrophobicContact CD2-CD1 3.81Å; Y39-I126 HydrophobicContact CD2-CG1 3.87Å; Y39-I126 HydrophobicContact CE1-CD1 3.86Å; Y39-I126 HydrophobicContact CE2-CD1 3.95Å; Y39-I126 HydrophobicContact CE2-CG1 4.39Å; Y39-I126 HydrophobicContact CG-CD1 3.7Å; Y39-I126 HydrophobicContact CG-CG1 3.86Å; Y39-W153 HydrophobicContact CD1-CH2 4.33Å; Y39-F159 HydrophobicContact CD1-CD1 4.05Å; Y39-F159 HydrophobicContact CD1-CE1 4.38Å; Y39-F159 AromaticContact CE1-CD1 3.65Å; Y39-F159 HydrophobicContact CE1-CD1 3.65Å; Y39-F159 AromaticContact CE1-CE1 3.66Å; Y39-F159 HydrophobicContact CE1-CE1 3.66Å |
| 40 | P | 94.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95 | 15.5 | 0.8 | 40.6 | -39.8 | 0 | 0 | 0 | 114.5 | V93 L95 F159 | P40-V93 VanDerWaalsContact O-CB 3.26Å; P40-V93 WeakPolarHBondContact O-CB 3.1Å; P40-V93 WeakPolarHBondContact O-CG2 3.39Å; P40-L95 HydrophobicContact CB-CD2 3.23Å; P40-L95 HydrophobicContact CB-CG 4.2Å; P40-L95 HydrophobicContact CG-CD2 3.95Å; P40-F159 HydrophobicContact CB-CZ 4.26Å; P40-F159 HydrophobicContact CG-CD2 4.16Å; P40-F159 HydrophobicContact CG-CE1 4.34Å; P40-F159 HydrophobicContact CG-CE2 3.54Å; P40-F159 HydrophobicContact CG-CZ 3.64Å |
| 41 | V | 95.8 | Very high | 91.2 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -39.6 | -171.5 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | R38 D92 P154 F155 | R38-V41 WeakPolarHBondContact O-CB 3.3Å; R38-V41 PolarHBondContact O-N 3.41Å; V41-D92 PolarHBondContact O-N 3.47Å; V41-P154 HydrophobicContact CG2-CB 4.18Å; V41-P154 HydrophobicContact CG2-CG 3.65Å; V41-F155 HydrophobicContact CG2-CE2 3.66Å; V41-F155 HydrophobicContact CG2-CZ 4.27Å |
| 42 | A | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R38 T89 V90 | R38-A42 HydrophobicContact CG-CB 4.25Å; R38-A42 PolarHBondContact O-N 2.85Å; A42-T89 HydrophobicContact CB-CG2 3.59Å; A42-V90 VanDerWaalsContact CA-O 3.3Å; A42-V90 WeakPolarHBondContact CA-O 3.47Å; A42-V90 VanDerWaalsContact CB-O 3.3Å; A42-V90 WeakPolarHBondContact CB-O 3.29Å |
| 43 | V | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.3 | 165.9 | 177 | 0 | 0 | 0 | 0 | 109.3 | C34 A36 T89 V90 V93 F120 A122 I125 | C34-V43 HydrophobicContact CB-CG1 3.82Å; A36-V43 HydrophobicContact CB-CG2 4.15Å; V43-T89 WeakPolarHBondContact O-CA 3.27Å; V43-V90 HydrophobicContact CB-CB 4.29Å; V43-V90 PolarHBondContact N-O 3.27Å; V43-V90 PolarHBondContact O-N 3.35Å; V43-V93 HydrophobicContact CG2-CG2 3.98Å; V43-F120 HydrophobicContact CB-CE2 4.29Å; V43-F120 HydrophobicContact CB-CZ 4.42Å; V43-F120 HydrophobicContact CG1-CE2 3.9Å; V43-F120 HydrophobicContact CG1-CZ 3.91Å; V43-F120 HydrophobicContact CG2-CE2 4.02Å; V43-A122 HydrophobicContact CG2-CB 4.29Å; V43-I125 HydrophobicContact CG1-CD1 3.51Å; V43-I125 HydrophobicContact CG2-CD1 4.18Å |
| 44 | D | 97.5 | Very high | 85.1 | Confident | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.2 | 176.2 | -66.9 | -52.5 | 0 | 0 | 0 | 110.2 | C34 R35 R38 T89 | C34-D44 CarbonylContact C-O 3.47Å; C34-D44 WeakPolarHBondContact CA-O 3.5Å; R35-D44 PolarHBondContact N-O 2.89Å; R35-D44 PolarHBondContact O-N 2.87Å; R38-D44 WeakPolarHBondContact CD-OD2 3.45Å; R38-D44 IonicContact NH1-OD1 2.8Å; R38-D44 PolarHBondContact NH1-OD1 3.3Å; R38-D44 IonicContact NH1-OD2 3.22Å; R38-D44 PolarHBondContact NH1-OD2 3.07Å; D44-T89 PolarHBondContact OD1-OG1 3.11Å |
| 45 | C | 97.6 | Very high | 83 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.6 | -177.6 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | R33 C34 Q87 C88 L103 | R33-C45 CarbonylContact O-C 3.58Å; R33-C45 VanDerWaalsContact O-CA 3.28Å; R33-C45 WeakPolarHBondContact O-CA 3.48Å; C34-C45 HydrophobicContact CB-CB 4.15Å; C34-C45 WeakPolarHBondContact CB-SG 3.47Å; C34-C45 WeakPolarHBondContact SG-CB 3.33Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 2.94Å; C45-Q87 CarbonylContact O-C 3.51Å; C45-Q87 WeakPolarHBondContact O-CA 3.44Å; C45-Q87 WeakPolarHBondContact O-CB 3.49Å; C45-C88 PolarHBondContact N-O 3.48Å; C45-C88 PolarHBondContact O-N 3.32Å; C45-L103 HydrophobicContact CB-CD2 3.72Å |
| 46 | S | 96.1 | Very high | 80.8 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157 | 177 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | R33 T86 | R33-S46 PolarHBondContact N-O 2.76Å; R33-S46 PolarHBondContact O-N 2.83Å; S46-T86 CarbonylContact C-O 3.51Å; S46-T86 VanDerWaalsContact CA-O 3.26Å; S46-T86 WeakPolarHBondContact CA-O 3.19Å |
| 47 | W | 93.6 | Very high | 78.9 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.1 | 178.3 | 52.1 | 91.3 | 0 | 0 | 0 | 111.8 | P30 R31 V32 F61 A63 L80 A85 T86 C88 V105 | P30-W47 HydrophobicContact CB-CB 4.13Å; P30-W47 HydrophobicContact CB-CG 4.36Å; R31-W47 WeakPolarHBondContact O-CA 3.07Å; V32-W47 HydrophobicContact CG2-CB 4.14Å; W47-F61 AromaticContact CD1-CE1 3.79Å; W47-F61 AromaticContact CE2-CD1 3.98Å; W47-F61 HydrophobicContact CZ2-CB 3.89Å; W47-F61 HydrophobicContact CZ2-CD1 4.28Å; W47-F61 HydrophobicContact CZ2-CD2 4.43Å; W47-F61 AromaticContact CZ2-CG 3.94Å; W47-F61 HydrophobicContact CZ2-CG 3.94Å; W47-F61 AromaticContact NE1-CD1 3.21Å; W47-F61 AromaticContact NE1-CD2 3.9Å; W47-F61 AromaticContact NE1-CE1 3.25Å; W47-F61 VanDerWaalsContact NE1-CE1 3.25Å; W47-F61 AromaticContact NE1-CE2 3.94Å; W47-F61 AromaticContact NE1-CG 3.55Å; W47-F61 AromaticContact NE1-CZ 3.64Å; W47-A63 HydrophobicContact CH2-CB 4.21Å; W47-L80 HydrophobicContact CH2-CD1 4.17Å; W47-A85 WeakPolarHBondContact CZ2-O 3.43Å; W47-T86 PolarHBondContact N-O 2.86Å; W47-T86 WeakPolarHBondContact O-CB 3.35Å; W47-C88 HydrophobicContact CH2-CB 4Å; W47-C88 HydrophobicContact CZ3-CB 4.13Å; W47-V105 HydrophobicContact CD2-CG1 3.7Å; W47-V105 HydrophobicContact CD2-CG2 4.35Å; W47-V105 HydrophobicContact CE3-CG1 4.05Å; W47-V105 HydrophobicContact CE3-CG2 3.87Å; W47-V105 HydrophobicContact CG-CG1 4.14Å; W47-V105 HydrophobicContact CH2-CG1 4.3Å; W47-V105 HydrophobicContact CZ2-CG1 3.95Å; W47-V105 HydrophobicContact CZ3-CG1 4.34Å; W47-V105 HydrophobicContact CZ3-CG2 3.98Å |
| 48 | T | 86.3 | Confident | 77.2 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.3 | 169.5 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | R31 L50 | R31-T48 PolarHBondContact O-N 2.76Å; T48-L50 PolarHBondContact O-N 2.97Å |
| 49 | P | 73.8 | Confident | 76.4 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | trans | -65.2 | 127.3 | 173.1 | 24.4 | -29.6 | 0 | 0 | 0 | 109.3 | R51 M59 F61 T86 | P49-R51 PolarHBondContact O-N 2.85Å; P49-M59 HydrophobicContact CB-SD 3.99Å; P49-F61 HydrophobicContact CB-CZ 4.04Å; P49-T86 HydrophobicContact CG-CG2 4.16Å | ||
| 50 | L | 68.4 | Low | 76.2 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | trans | -73.8 | 109.5 | 170 | -72.6 | 154.3 | 0 | 0 | 0 | 106.6 | L27 Q29 T48 A52 | L27-L50 WeakPolarHBondContact O-CD1 3.46Å; Q29-L50 VanDerWaalsContact C-CD1 3.48Å; Q29-L50 WeakPolarHBondContact O-CD1 3.38Å; T48-L50 PolarHBondContact O-N 2.97Å; L50-A52 PolarHBondContact O-N 2.9Å; L50-A52 VanDerWaalsContact O-N 3.17Å | ||
| 51 | R | 62.3 | Low | 76.1 | Confident | 239 Ų | 239 | 74.3 Ų | 74.3 | 90% | 0.902 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 120.6 | 177.4 | -76.8 | -177.9 | -179.5 | 161.4 | -0.2 | 108.5 | P49 | P49-R51 PolarHBondContact O-N 2.85Š|
| 52 | A | 53.3 | Low | 76 | Confident | 61 Ų | 61 | 76 Ų | 76 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 123.8 | 155 | 0 | 0 | 0 | 0 | 0 | 107.1 | L50 N54 S55 | L50-A52 PolarHBondContact O-N 2.9Å; L50-A52 VanDerWaalsContact O-N 3.17Å; A52-N54 PolarHBondContact O-N 3.3Å; A52-N54 VanDerWaalsContact O-N 3.13Å; A52-S55 PolarHBondContact O-N 2.82Å |
| 53 | P | 43.6 | Very low | 76 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 76% | 0.76 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 121.4 | 172.3 | 25.1 | -29.5 | 0 | 0 | 0 | 107 | ||
| 54 | N | 49.2 | Very low | 75.9 | Confident | 165 Ų | 165 | 78.2 Ų | 78.2 | 88% | 0.882 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 12.2 | 179.4 | -53.3 | -16.6 | 0 | 0 | 0 | 119.5 | A52 T56 | A52-N54 PolarHBondContact O-N 3.3Å; A52-N54 VanDerWaalsContact O-N 3.13Å; N54-T56 PolarHBondContact O-N 2.81Å |
| 55 | S | 52.8 | Low | 75.8 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | trans | -90.8 | 96.1 | 170.6 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | A52 R57 | A52-S55 PolarHBondContact O-N 2.82Å; S55-R57 PolarHBondContact O-N 2.87Å; S55-R57 PolarHBondContact OG-N 2.83Å; S55-R57 PolarHBondContact OG-O 2.83Å | ||
| 56 | T | 51.8 | Low | 75.7 | Confident | 154 Ų | 154 | 78.5 Ų | 78.5 | 95% | 0.945 | 44% | 0.435 | S | S | * | . | trans | -72.8 | 2.5 | 158.4 | 33.3 | 0 | 0 | 0 | 0 | 112.8 | N54 | N54-T56 PolarHBondContact O-N 2.81Š| ||
| 57 | R | 58.3 | Low | 75.5 | Confident | 170 Ų | 170 | 77.6 Ų | 77.6 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -91.6 | 141.3 | -173 | -137.4 | 160.1 | -177.8 | -167.7 | 10.4 | 111.8 | S55 M59 P110 | S55-R57 PolarHBondContact O-N 2.87Å; S55-R57 PolarHBondContact OG-N 2.83Å; S55-R57 PolarHBondContact OG-O 2.83Å; R57-M59 PolarHBondContact O-N 2.94Å; R57-P110 HydrophobicContact CB-CG 4.36Å; R57-P110 VanDerWaalsContact CD-CG 3.46Å; R57-P110 HydrophobicContact CG-CG 3.77Å |
| 58 | A | 60.8 | Low | 75.2 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 125.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 59 | M | 79.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 26% | 0.256 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 131.7 | 171.6 | 177.4 | 173 | -84.2 | 0 | 0 | 107.9 | P49 R57 F61 A107 H109 | P49-M59 HydrophobicContact CB-SD 3.99Å; R57-M59 PolarHBondContact O-N 2.94Å; M59-F61 HydrophobicContact CG-CE1 4.15Å; M59-F61 HydrophobicContact CG-CE2 4.21Å; M59-F61 HydrophobicContact CG-CZ 3.77Å; M59-F61 HydrophobicContact SD-CE1 3.88Å; M59-F61 HydrophobicContact SD-CE2 4.48Å; M59-F61 HydrophobicContact SD-CZ 3.56Å; M59-F61 VanDerWaalsContact SD-CZ 3.56Å; M59-A107 HydrophobicContact CE-CB 4.39Å; M59-A107 HydrophobicContact SD-CB 4.26Å; M59-H109 HydrophobicContact CE-CB 4.48Å |
| 60 | S | 90.2 | Very high | 75.3 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 160 | 171.1 | 60 | 0 | 0 | 0 | 0 | 110.6 | P83 V108 | S60-P83 CarbonylContact C-O 3.55Å; S60-P83 VanDerWaalsContact CA-O 3.24Å; S60-P83 WeakPolarHBondContact CA-O 3.37Å; S60-V108 PolarHBondContact N-O 2.79Å; S60-V108 VanDerWaalsContact N-O 3.15Å; S60-V108 PolarHBondContact O-N 3.19Å |
| 61 | F | 92.4 | Very high | 75.5 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 6% | 0.061 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143 | -178.9 | -59.6 | -79.7 | 0 | 0 | 0 | 110.3 | W47 P49 M59 L80 P83 A85 T86 V105 T106 A107 | W47-F61 AromaticContact CD1-CE1 3.79Å; W47-F61 AromaticContact CE2-CD1 3.98Å; W47-F61 HydrophobicContact CZ2-CB 3.89Å; W47-F61 HydrophobicContact CZ2-CD1 4.28Å; W47-F61 HydrophobicContact CZ2-CD2 4.43Å; W47-F61 AromaticContact CZ2-CG 3.94Å; W47-F61 HydrophobicContact CZ2-CG 3.94Å; W47-F61 AromaticContact NE1-CD1 3.21Å; W47-F61 AromaticContact NE1-CD2 3.9Å; W47-F61 AromaticContact NE1-CE1 3.25Å; W47-F61 VanDerWaalsContact NE1-CE1 3.25Å; W47-F61 AromaticContact NE1-CE2 3.94Å; W47-F61 AromaticContact NE1-CG 3.55Å; W47-F61 AromaticContact NE1-CZ 3.64Å; P49-F61 HydrophobicContact CB-CZ 4.04Å; M59-F61 HydrophobicContact CG-CE1 4.15Å; M59-F61 HydrophobicContact CG-CE2 4.21Å; M59-F61 HydrophobicContact CG-CZ 3.77Å; M59-F61 HydrophobicContact SD-CE1 3.88Å; M59-F61 HydrophobicContact SD-CE2 4.48Å; M59-F61 HydrophobicContact SD-CZ 3.56Å; M59-F61 VanDerWaalsContact SD-CZ 3.56Å; F61-L80 HydrophobicContact CB-CD2 3.98Å; F61-P83 PolarHBondContact N-O 2.79Å; F61-A85 VanDerWaalsContact CD2-O 3.22Å; F61-A85 WeakPolarHBondContact CD2-O 3.37Å; F61-T86 HydrophobicContact CE2-CG2 3.91Å; F61-T86 HydrophobicContact CZ-CG2 4.19Å; F61-V105 HydrophobicContact CD1-CG1 4.4Å; F61-T106 WeakPolarHBondContact CA-O 3.44Å; F61-A107 HydrophobicContact CD1-CB 3.94Å; F61-A107 HydrophobicContact CE1-CB 3.73Å |
| 62 | I | 94.4 | Very high | 75.9 | Confident | 96 Ų | 96 | 76.3 Ų | 76.3 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | 167.2 | -58.3 | 172.5 | 0 | 0 | 0 | 105.8 | T106 V108 | I62-T106 PolarHBondContact N-O 2.76Å; I62-T106 PolarHBondContact O-N 3.21Å; I62-V108 HydrophobicContact CD1-CG2 4.02Å; I62-V108 HydrophobicContact CG1-CG2 4.34Å |
| 63 | A | 96.4 | Very high | 77 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 5% | 0.05 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | W47 C78 L80 C88 N104 V105 | W47-A63 HydrophobicContact CH2-CB 4.21Å; A63-C78 HydrophobicContact CB-CB 3.81Å; A63-C78 PolarHBondContact O-N 3.35Å; A63-L80 HydrophobicContact CB-CD1 3.43Å; A63-L80 VanDerWaalsContact CB-CD1 3.43Å; A63-C88 HydrophobicContact CB-CB 4.42Å; A63-N104 VanDerWaalsContact CA-O 3.26Å; A63-N104 WeakPolarHBondContact CA-O 3.45Å; A63-V105 HydrophobicContact CB-CG2 4.33Å |
| 64 | T | 96.4 | Very high | 79.1 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 155.4 | 176.9 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | L76 L103 N104 | T64-L76 CarbonylContact C-O 3.6Å; T64-L76 WeakPolarHBondContact CA-O 3.18Å; T64-L76 WeakPolarHBondContact CB-O 3.32Å; T64-L103 WeakPolarHBondContact O-CD1 3.36Å; T64-N104 PolarHBondContact N-O 2.76Å; T64-N104 PolarHBondContact O-N 3.16Å |
| 65 | Y | 95.8 | Very high | 81.1 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.7 | 173.9 | 74.2 | -86.1 | 0 | 0 | 0 | 110.6 | S75 L76 P77 C78 V90 Y101 V102 | Y65-S75 CarbonylContact O-C 3.53Å; Y65-S75 WeakPolarHBondContact O-CA 3.41Å; Y65-L76 HydrophobicContact CD1-CB 4.23Å; Y65-L76 HydrophobicContact CE1-CB 3.71Å; Y65-L76 HydrophobicContact CE2-CB 4.16Å; Y65-L76 HydrophobicContact CE2-CD1 3.96Å; Y65-L76 PolarHBondContact N-O 2.94Å; Y65-L76 PolarHBondContact O-N 2.5Å; Y65-L76 WeakPolarHBondContact OH-CD1 3.44Å; Y65-P77 WeakPolarHBondContact CE1-O 3.49Å; Y65-C78 HydrophobicContact CD1-CB 4.47Å; Y65-V90 HydrophobicContact CD1-CB 4.46Å; Y65-V90 HydrophobicContact CD1-CG1 3.98Å; Y65-V90 HydrophobicContact CD1-CG2 3.96Å; Y65-V90 HydrophobicContact CD2-CG1 3.94Å; Y65-V90 HydrophobicContact CE1-CG1 3.87Å; Y65-V90 HydrophobicContact CE1-CG2 4.48Å; Y65-V90 HydrophobicContact CE2-CG1 3.82Å; Y65-V90 HydrophobicContact CG-CG1 4.01Å; Y65-V90 HydrophobicContact CG-CG2 4.15Å; Y65-Y101 AromaticContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CE1 4.14Å; Y65-Y101 HydrophobicContact CE2-CD1 4.09Å; Y65-Y101 HydrophobicContact CE2-CE1 4Å; Y65-V102 CarbonylContact C-O 3.54Å; Y65-V102 VanDerWaalsContact CA-O 3.28Å; Y65-V102 WeakPolarHBondContact CA-O 3.19Å |
| 66 | R | 94.1 | Very high | 83.1 | Confident | 35 Ų | 35 | 76 Ų | 76 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.4 | 172.9 | 60.7 | -174.4 | -178.3 | 74.2 | 4.4 | 110.3 | G68 M69 A70 Y101 V102 | R66-G68 PolarHBondContact NH1-O 3.06Å; R66-M69 PolarHBondContact NH1-O 2.6Å; R66-M69 VanDerWaalsContact NH1-O 3.1Å; R66-M69 PolarHBondContact NH2-O 3.45Å; R66-A70 VanDerWaalsContact NH1-C 3.32Å; R66-A70 PolarHBondContact NH1-O 2.83Å; R66-Y101 CarbonylContact O-C 3.54Å; R66-Y101 WeakPolarHBondContact O-CA 3.29Å; R66-V102 HydrophobicContact CG-CB 3.91Å; R66-V102 PolarHBondContact N-O 2.79Å; R66-V102 PolarHBondContact O-N 3.18Å |
| 67 | L | 92 | Very high | 85.2 | Confident | 41 Ų | 41 | 73 Ų | 73 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.5 | 173.3 | -70.8 | 168.1 | 0 | 0 | 0 | 109.8 | Q73 V99 Y101 | L67-Q73 WeakPolarHBondContact O-CG 3.43Å; L67-V99 HydrophobicContact CB-CG1 4.45Å; L67-Y101 HydrophobicContact CD2-CD1 3.74Å; L67-Y101 HydrophobicContact CD2-CD2 4.13Å; L67-Y101 HydrophobicContact CD2-CE1 3.45Å; L67-Y101 VanDerWaalsContact CD2-CE1 3.45Å; L67-Y101 HydrophobicContact CD2-CE2 3.85Å; L67-Y101 HydrophobicContact CD2-CG 4.06Å; L67-Y101 VanDerWaalsContact CD2-CZ 3.49Å; L67-Y101 HydrophobicContact CG-CE1 4.35Å |
| 68 | G | 87.9 | Confident | 87 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 83.6 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R66 V99 P100 V102 | R66-G68 PolarHBondContact NH1-O 3.06Å; G68-V99 VanDerWaalsContact N-CG1 3.32Å; G68-P100 WeakPolarHBondContact CA-O 3.49Å; G68-P100 PolarHBondContact N-O 2.98Å; G68-V102 VanDerWaalsContact O-CG2 3.28Å; G68-V102 WeakPolarHBondContact O-CG2 3.44Å |
| 69 | M | 83.4 | Confident | 88.8 | Confident | 127 Ų | 127 | 66 Ų | 66 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -95.8 | -15.2 | -175.5 | -65.9 | -61.9 | -72.8 | 0 | 0 | 114 | R66 A71 P100 V102 A119 | R66-M69 PolarHBondContact NH1-O 2.6Å; R66-M69 VanDerWaalsContact NH1-O 3.1Å; R66-M69 PolarHBondContact NH2-O 3.45Å; M69-A71 PolarHBondContact O-N 2.89Å; M69-P100 HydrophobicContact CG-CG 3.91Å; M69-P100 HydrophobicContact SD-CG 3.87Å; M69-V102 HydrophobicContact SD-CG2 3.65Å; M69-A119 HydrophobicContact SD-CB 4.41Å |
| 70 | A | 79.8 | Confident | 89.5 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | trans | -66.1 | 123.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R66 Q72 Q73 | R66-A70 VanDerWaalsContact NH1-C 3.32Å; R66-A70 PolarHBondContact NH1-O 2.83Å; A70-Q72 PolarHBondContact O-N 3.48Å; A70-Q73 WeakPolarHBondContact O-CB 3.28Å; A70-Q73 PolarHBondContact O-N 3.5Å | ||
| 71 | A | 71.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 63% | 0.628 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M69 Q73 | M69-A71 PolarHBondContact O-N 2.89Å; A71-Q73 PolarHBondContact O-N 2.84Å |
| 72 | Q | 70.8 | Confident | 89.7 | Confident | 176 Ų | 176 | 70.5 Ų | 70.5 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.8 | 179.5 | -62.5 | 85.6 | -17.8 | 0 | 0 | 113.2 | A70 | A70-Q72 PolarHBondContact O-N 3.48Š|
| 73 | Q | 77.2 | Confident | 89.5 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -66.7 | 142.3 | 176.7 | -152.9 | 95.4 | -18.6 | 0 | 0 | 110.5 | L67 A70 A71 S75 | L67-Q73 WeakPolarHBondContact O-CG 3.43Å; A70-Q73 WeakPolarHBondContact O-CB 3.28Å; A70-Q73 PolarHBondContact O-N 3.5Å; A71-Q73 PolarHBondContact O-N 2.84Å; Q73-S75 PolarHBondContact O-N 2.73Å |
| 74 | Q | 85.9 | Confident | 89.3 | Confident | 164 Ų | 164 | 75.1 Ų | 75.1 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 129.2 | 176.4 | -168.5 | 171.3 | 20.4 | 0 | 0 | 110.8 | ||
| 75 | S | 91.9 | Very high | 89.1 | Confident | 64 Ų | 64 | 74 Ų | 74 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 133.9 | 176.1 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | Y65 Q73 | Y65-S75 CarbonylContact O-C 3.53Å; Y65-S75 WeakPolarHBondContact O-CA 3.41Å; Q73-S75 PolarHBondContact O-N 2.73Å |
| 76 | L | 94.6 | Very high | 88.9 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 150 | 178.2 | -64.3 | 173 | 0 | 0 | 0 | 110 | T64 Y65 | T64-L76 CarbonylContact C-O 3.6Å; T64-L76 WeakPolarHBondContact CA-O 3.18Å; T64-L76 WeakPolarHBondContact CB-O 3.32Å; Y65-L76 HydrophobicContact CD1-CB 4.23Å; Y65-L76 HydrophobicContact CE1-CB 3.71Å; Y65-L76 HydrophobicContact CE2-CB 4.16Å; Y65-L76 HydrophobicContact CE2-CD1 3.96Å; Y65-L76 PolarHBondContact N-O 2.94Å; Y65-L76 PolarHBondContact O-N 2.5Å; Y65-L76 WeakPolarHBondContact OH-CD1 3.44Å |
| 77 | P | 95.9 | Very high | 89 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 58% | 0.578 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.4 | 177.3 | 28.5 | -33.6 | 0 | 0 | 0 | 111 | Y65 | Y65-P77 WeakPolarHBondContact CE1-O 3.49Å |
| 78 | C | 97.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | trans | -80.1 | 134.2 | 161.5 | -164.3 | 0 | 0 | 0 | 0 | 107.8 | A63 Y65 L80 C88 T89 L103 | A63-C78 HydrophobicContact CB-CB 3.81Å; A63-C78 PolarHBondContact O-N 3.35Å; Y65-C78 HydrophobicContact CD1-CB 4.47Å; C78-L80 PolarHBondContact O-N 3.42Å; C78-C88 HydrophobicContact CB-CB 3.79Å; C78-C88 WeakPolarHBondContact CB-SG 3.26Å; C78-C88 WeakPolarHBondContact SG-CB 3.34Å; C78-C88 CovalentContact SG-SG 2.04Å; C78-C88 PolarHBondContact SG-SG 2.81Å; C78-T89 PolarHBondContact SG-O 3.04Å; C78-T89 VanDerWaalsContact SG-O 3.41Å; C78-L103 HydrophobicContact CB-CD1 4.15Å | ||
| 79 | L | 97.3 | Very high | 89.8 | Confident | 98 Ų | 98 | 78.3 Ų | 78.3 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 99.2 | -173.8 | -57 | 177 | 0 | 0 | 0 | 110.2 | C88 T89 P91 | L79-C88 VanDerWaalsContact O-CA 3.26Å; L79-C88 WeakPolarHBondContact O-CA 2.93Å; L79-T89 WeakPolarHBondContact CB-O 3.49Å; L79-T89 PolarHBondContact N-O 2.82Å; L79-T89 PolarHBondContact O-N 3.4Å; L79-P91 HydrophobicContact CD1-CB 4.39Å; L79-P91 HydrophobicContact CD1-CG 4.12Å; L79-P91 HydrophobicContact CG-CG 4.49Å |
| 80 | L | 95.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | trans | -87.9 | 131.1 | 171.2 | -99.7 | 78 | 0 | 0 | 0 | 109.8 | W47 F61 A63 C78 C88 | W47-L80 HydrophobicContact CH2-CD1 4.17Å; F61-L80 HydrophobicContact CB-CD2 3.98Å; A63-L80 HydrophobicContact CB-CD1 3.43Å; A63-L80 VanDerWaalsContact CB-CD1 3.43Å; C78-L80 PolarHBondContact O-N 3.42Å; L80-C88 HydrophobicContact CD1-CB 3.39Å; L80-C88 HydrophobicContact CG-CB 4.17Å | ||
| 81 | P | 93.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -63 | -42.4 | 172.3 | -23.3 | 33.3 | 0 | 0 | 0 | 113 | A85 Q87 | P81-A85 HydrophobicContact CB-CB 4.48Å; P81-A85 HydrophobicContact CG-CB 4.37Å; P81-Q87 WeakPolarHBondContact CD-O 3.35Å |
| 82 | T | 92.9 | Very high | 92 | Very high | 71 Ų | 71 | 73.7 Ų | 73.7 | 44% | 0.436 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -146.4 | 159.2 | 178.1 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | Q84 A85 | T82-Q84 PolarHBondContact O-N 2.76Å; T82-Q84 VanDerWaalsContact O-N 3.12Å; T82-A85 VanDerWaalsContact O-CB 3.24Å; T82-A85 WeakPolarHBondContact O-CB 3.39Å; T82-A85 PolarHBondContact O-N 2.86Å; T82-A85 PolarHBondContact OG1-N 3.43Å |
| 83 | P | 90.7 | Very high | 93 | Very high | 78 Ų | 78 | 66 Ų | 66 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23 | 176.9 | -25.8 | 35.4 | 0 | 0 | 0 | 114.4 | S60 F61 | S60-P83 CarbonylContact C-O 3.55Å; S60-P83 VanDerWaalsContact CA-O 3.24Å; S60-P83 WeakPolarHBondContact CA-O 3.37Å; F61-P83 PolarHBondContact N-O 2.79Å |
| 84 | Q | 90.6 | Very high | 93.7 | Very high | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.1 | 178.8 | -55.7 | 89.6 | -23.9 | 0 | 0 | 112.9 | T82 | T82-Q84 PolarHBondContact O-N 2.76Å; T82-Q84 VanDerWaalsContact O-N 3.12Å |
| 85 | A | 91.9 | Very high | 94 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | trans | -63.5 | 140 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W47 F61 P81 T82 Q87 | W47-A85 WeakPolarHBondContact CZ2-O 3.43Å; F61-A85 VanDerWaalsContact CD2-O 3.22Å; F61-A85 WeakPolarHBondContact CD2-O 3.37Å; P81-A85 HydrophobicContact CB-CB 4.48Å; P81-A85 HydrophobicContact CG-CB 4.37Å; T82-A85 VanDerWaalsContact O-CB 3.24Å; T82-A85 WeakPolarHBondContact O-CB 3.39Å; T82-A85 PolarHBondContact O-N 2.86Å; T82-A85 PolarHBondContact OG1-N 3.43Å; A85-Q87 VanDerWaalsContact C-N 3.31Å | ||
| 86 | T | 93.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -99.5 | 20.2 | 177 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | S46 W47 P49 F61 | S46-T86 CarbonylContact C-O 3.51Å; S46-T86 VanDerWaalsContact CA-O 3.26Å; S46-T86 WeakPolarHBondContact CA-O 3.19Å; W47-T86 PolarHBondContact N-O 2.86Å; W47-T86 WeakPolarHBondContact O-CB 3.35Å; P49-T86 HydrophobicContact CG-CG2 4.16Å; F61-T86 HydrophobicContact CE2-CG2 3.91Å; F61-T86 HydrophobicContact CZ-CG2 4.19Å |
| 87 | Q | 95.9 | Very high | 93.4 | Very high | 115 Ų | 115 | 63.9 Ų | 63.9 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151 | 179.6 | 66.3 | -178.6 | 55.7 | 0 | 0 | 110.9 | C45 P81 A85 | C45-Q87 CarbonylContact O-C 3.51Å; C45-Q87 WeakPolarHBondContact O-CA 3.44Å; C45-Q87 WeakPolarHBondContact O-CB 3.49Å; P81-Q87 WeakPolarHBondContact CD-O 3.35Å; A85-Q87 VanDerWaalsContact C-N 3.31Å |
| 88 | C | 97.4 | Very high | 93 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 161.6 | 173.7 | 80.1 | 0 | 0 | 0 | 0 | 111.5 | C45 W47 A63 C78 L79 L80 | C45-C88 PolarHBondContact N-O 3.48Å; C45-C88 PolarHBondContact O-N 3.32Å; W47-C88 HydrophobicContact CH2-CB 4Å; W47-C88 HydrophobicContact CZ3-CB 4.13Å; A63-C88 HydrophobicContact CB-CB 4.42Å; C78-C88 HydrophobicContact CB-CB 3.79Å; C78-C88 WeakPolarHBondContact CB-SG 3.26Å; C78-C88 WeakPolarHBondContact SG-CB 3.34Å; C78-C88 CovalentContact SG-SG 2.04Å; C78-C88 PolarHBondContact SG-SG 2.81Å; L79-C88 VanDerWaalsContact O-CA 3.26Å; L79-C88 WeakPolarHBondContact O-CA 2.93Å; L80-C88 HydrophobicContact CD1-CB 3.39Å; L80-C88 HydrophobicContact CG-CB 4.17Å |
| 89 | T | 98.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 68.5 Ų | 68.5 | 16% | 0.16 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.4 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | R38 A42 V43 D44 C78 L79 P91 | R38-T89 PolarHBondContact NH1-OG1 3.16Å; A42-T89 HydrophobicContact CB-CG2 3.59Å; V43-T89 WeakPolarHBondContact O-CA 3.27Å; D44-T89 PolarHBondContact OD1-OG1 3.11Å; C78-T89 PolarHBondContact SG-O 3.04Å; C78-T89 VanDerWaalsContact SG-O 3.41Å; L79-T89 WeakPolarHBondContact CB-O 3.49Å; L79-T89 PolarHBondContact N-O 2.82Å; L79-T89 PolarHBondContact O-N 3.4Å; T89-P91 WeakPolarHBondContact O-CD 3.25Å |
| 90 | V | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.2 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | A42 V43 Y65 Y101 | A42-V90 VanDerWaalsContact CA-O 3.3Å; A42-V90 WeakPolarHBondContact CA-O 3.47Å; A42-V90 VanDerWaalsContact CB-O 3.3Å; A42-V90 WeakPolarHBondContact CB-O 3.29Å; V43-V90 HydrophobicContact CB-CB 4.29Å; V43-V90 PolarHBondContact N-O 3.27Å; V43-V90 PolarHBondContact O-N 3.35Å; Y65-V90 HydrophobicContact CD1-CB 4.46Å; Y65-V90 HydrophobicContact CD1-CG1 3.98Å; Y65-V90 HydrophobicContact CD1-CG2 3.96Å; Y65-V90 HydrophobicContact CD2-CG1 3.94Å; Y65-V90 HydrophobicContact CE1-CG1 3.87Å; Y65-V90 HydrophobicContact CE1-CG2 4.48Å; Y65-V90 HydrophobicContact CE2-CG1 3.82Å; Y65-V90 HydrophobicContact CG-CG1 4.01Å; Y65-V90 HydrophobicContact CG-CG2 4.15Å; V90-Y101 HydrophobicContact CG1-CD1 3.96Å; V90-Y101 HydrophobicContact CG1-CE1 3.86Å |
| 91 | P | 95.5 | Very high | 92.6 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 174.9 | 179.4 | 35 | -36.6 | 0 | 0 | 0 | 111.6 | L79 T89 V93 | L79-P91 HydrophobicContact CD1-CB 4.39Å; L79-P91 HydrophobicContact CD1-CG 4.12Å; L79-P91 HydrophobicContact CG-CG 4.49Å; T89-P91 WeakPolarHBondContact O-CD 3.25Å; P91-V93 PolarHBondContact O-N 3.06Å |
| 92 | D | 88.9 | Confident | 92.7 | Very high | 126 Ų | 126 | 59.4 Ų | 59.4 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 53.2 | 60.4 | 166.2 | -53.3 | -43.6 | 0 | 0 | 0 | 113.5 | V41 H94 | V41-D92 PolarHBondContact O-N 3.47Å; D92-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-ND1 3.18Å |
| 93 | V | 92.5 | Very high | 92.9 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -62.8 | 128.5 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 110 | Y39 P40 V43 P91 L95 Y101 A122 | Y39-V93 HydrophobicContact CD2-CG1 4.33Å; Y39-V93 HydrophobicContact CE2-CG1 4Å; P40-V93 VanDerWaalsContact O-CB 3.26Å; P40-V93 WeakPolarHBondContact O-CB 3.1Å; P40-V93 WeakPolarHBondContact O-CG2 3.39Å; V43-V93 HydrophobicContact CG2-CG2 3.98Å; P91-V93 PolarHBondContact O-N 3.06Å; V93-L95 PolarHBondContact O-N 3.11Å; V93-Y101 WeakPolarHBondContact CA-OH 3.29Å; V93-A122 HydrophobicContact CG1-CB 3.26Å | ||
| 94 | H | 91.4 | Very high | 93.1 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | trans | -74.3 | 108.6 | 173.9 | -78.8 | 51.4 | 0 | 0 | 0 | 109.2 | D92 Y101 | D92-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-ND1 3.18Å; H94-Y101 PolarHBondContact N-OH 2.9Å | ||
| 95 | L | 91.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 139.6 | 178.3 | -68.7 | 175.8 | 0 | 0 | 0 | 111.9 | Y39 P40 V93 S97 F159 | Y39-L95 HydrophobicContact CE1-CD2 4.06Å; Y39-L95 HydrophobicContact CE2-CD2 4.28Å; Y39-L95 WeakPolarHBondContact OH-CD2 3.19Å; P40-L95 HydrophobicContact CB-CD2 3.23Å; P40-L95 HydrophobicContact CB-CG 4.2Å; P40-L95 HydrophobicContact CG-CD2 3.95Å; V93-L95 PolarHBondContact O-N 3.11Å; L95-S97 PolarHBondContact O-N 3.03Å; L95-F159 HydrophobicContact CD1-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CE1 3.95Å; L95-F159 HydrophobicContact CD2-CZ 3.86Å |
| 96 | F | 85.9 | Confident | 93.3 | Very high | 158 Ų | 158 | 49.2 Ų | 49.2 | 69% | 0.693 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 29.3 | 172.7 | -44.8 | -65.2 | 0 | 0 | 0 | 113.3 | E123 | F96-E123 WeakPolarHBondContact CA-OE1 3.46Å; F96-E123 PolarHBondContact N-OE1 3.49Å |
| 97 | S | 88.2 | Confident | 93.2 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | trans | -101.3 | 129.7 | -176.2 | -176.5 | 0 | 0 | 0 | 0 | 111 | L95 V99 V121 E123 | L95-S97 PolarHBondContact O-N 3.03Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 WeakPolarHBondContact OG-CB 3.45Å; S97-V99 PolarHBondContact OG-N 3.21Å; S97-V99 VanDerWaalsContact OG-N 3.16Å; S97-V121 WeakPolarHBondContact O-CG1 3.5Å; S97-E123 PolarHBondContact N-OE1 2.85Å; S97-E123 VanDerWaalsContact N-OE1 3.16Å | ||
| 98 | T | 88.1 | Confident | 92.8 | Very high | 128 Ų | 128 | 43.5 Ų | 43.5 | 79% | 0.785 | 24% | 0.238 | S | C | * | . | trans | -85.3 | -2.9 | 169.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | P100 | T98-P100 WeakPolarHBondContact O-CD 3.4Š| ||
| 99 | V | 91.4 | Very high | 92.2 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 121.3 | -179.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | L67 G68 S97 | L67-V99 HydrophobicContact CB-CG1 4.45Å; G68-V99 VanDerWaalsContact N-CG1 3.32Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 WeakPolarHBondContact OG-CB 3.45Å; S97-V99 PolarHBondContact OG-N 3.21Å; S97-V99 VanDerWaalsContact OG-N 3.16Å |
| 100 | P | 94.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 20% | 0.195 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 144.1 | -179.1 | 30.1 | -34.7 | 0 | 0 | 0 | 111.1 | G68 M69 T98 F120 V121 | G68-P100 WeakPolarHBondContact CA-O 3.49Å; G68-P100 PolarHBondContact N-O 2.98Å; M69-P100 HydrophobicContact CG-CG 3.91Å; M69-P100 HydrophobicContact SD-CG 3.87Å; T98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-F120 CarbonylContact C-O 3.59Å; P100-F120 VanDerWaalsContact CA-O 3.31Å; P100-F120 WeakPolarHBondContact CA-O 3.31Å; P100-V121 HydrophobicContact CB-CG2 4.24Å |
| 101 | Y | 95.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.3 | 158.5 | -68.2 | -102.1 | 0 | 0 | 0 | 108.7 | Y65 R66 L67 V90 V93 H94 A119 F120 A122 | Y65-Y101 AromaticContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CE1 4.14Å; Y65-Y101 HydrophobicContact CE2-CD1 4.09Å; Y65-Y101 HydrophobicContact CE2-CE1 4Å; R66-Y101 CarbonylContact O-C 3.54Å; R66-Y101 WeakPolarHBondContact O-CA 3.29Å; L67-Y101 HydrophobicContact CD2-CD1 3.74Å; L67-Y101 HydrophobicContact CD2-CD2 4.13Å; L67-Y101 HydrophobicContact CD2-CE1 3.45Å; L67-Y101 VanDerWaalsContact CD2-CE1 3.45Å; L67-Y101 HydrophobicContact CD2-CE2 3.85Å; L67-Y101 HydrophobicContact CD2-CG 4.06Å; L67-Y101 VanDerWaalsContact CD2-CZ 3.49Å; L67-Y101 HydrophobicContact CG-CE1 4.35Å; V90-Y101 HydrophobicContact CG1-CD1 3.96Å; V90-Y101 HydrophobicContact CG1-CE1 3.86Å; V93-Y101 WeakPolarHBondContact CA-OH 3.29Å; H94-Y101 PolarHBondContact N-OH 2.9Å; Y101-A119 CarbonylContact O-C 3.57Å; Y101-A119 WeakPolarHBondContact O-CA 3.23Å; Y101-F120 HydrophobicContact CD2-CD2 4.33Å; Y101-F120 AromaticContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CG-CD2 4.42Å; Y101-F120 AromaticContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CZ 4.03Å; Y101-F120 PolarHBondContact N-O 3.42Å; Y101-F120 PolarHBondContact O-N 2.78Å; Y101-A122 HydrophobicContact CE2-CB 4.38Å |
| 102 | V | 95.8 | Very high | 90 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104.5 | 170 | -177.3 | 0 | 0 | 0 | 0 | 108 | Y65 R66 G68 M69 L117 A119 | Y65-V102 CarbonylContact C-O 3.54Å; Y65-V102 VanDerWaalsContact CA-O 3.28Å; Y65-V102 WeakPolarHBondContact CA-O 3.19Å; R66-V102 HydrophobicContact CG-CB 3.91Å; R66-V102 PolarHBondContact N-O 2.79Å; R66-V102 PolarHBondContact O-N 3.18Å; G68-V102 VanDerWaalsContact O-CG2 3.28Å; G68-V102 WeakPolarHBondContact O-CG2 3.44Å; M69-V102 HydrophobicContact SD-CG2 3.65Å; V102-L117 HydrophobicContact CG1-CD2 4.32Å; V102-A119 HydrophobicContact CG2-CB 4.27Å |
| 103 | L | 96.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.5 | 175.6 | 179.1 | 73.2 | 0 | 0 | 0 | 109.7 | V32 C45 T64 C78 V105 L117 L118 F120 | V32-L103 HydrophobicContact CG1-CD2 3.71Å; C45-L103 HydrophobicContact CB-CD2 3.72Å; T64-L103 WeakPolarHBondContact O-CD1 3.36Å; C78-L103 HydrophobicContact CB-CD1 4.15Å; L103-V105 HydrophobicContact CD2-CG2 4Å; L103-V105 HydrophobicContact CG-CG2 4.03Å; L103-L117 CarbonylContact O-C 3.6Å; L103-L117 VanDerWaalsContact O-CA 3.31Å; L103-L117 WeakPolarHBondContact O-CA 3.4Å; L103-L118 PolarHBondContact N-O 3.4Å; L103-L118 PolarHBondContact O-N 2.88Å; L103-F120 HydrophobicContact CB-CE1 4.1Å |
| 104 | N | 95 | Very high | 89.7 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.8 | 171.3 | -176 | -0.1 | 0 | 0 | 0 | 109.4 | A63 T64 T106 S116 L117 | A63-N104 VanDerWaalsContact CA-O 3.26Å; A63-N104 WeakPolarHBondContact CA-O 3.45Å; T64-N104 PolarHBondContact N-O 2.76Å; T64-N104 PolarHBondContact O-N 3.16Å; N104-T106 PolarHBondContact OD1-OG1 2.89Å; N104-S116 WeakPolarHBondContact CA-O 3.48Å; N104-L117 HydrophobicContact CB-CD2 3.51Å |
| 105 | V | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.1 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | P30 V32 W47 F61 A63 L103 S115 S116 | P30-V105 HydrophobicContact CG-CG1 4.38Å; V32-V105 HydrophobicContact CG1-CG2 4.21Å; V32-V105 HydrophobicContact CG2-CB 4.09Å; V32-V105 HydrophobicContact CG2-CG2 3.89Å; W47-V105 HydrophobicContact CD2-CG1 3.7Å; W47-V105 HydrophobicContact CD2-CG2 4.35Å; W47-V105 HydrophobicContact CE3-CG1 4.05Å; W47-V105 HydrophobicContact CE3-CG2 3.87Å; W47-V105 HydrophobicContact CG-CG1 4.14Å; W47-V105 HydrophobicContact CH2-CG1 4.3Å; W47-V105 HydrophobicContact CZ2-CG1 3.95Å; W47-V105 HydrophobicContact CZ3-CG1 4.34Å; W47-V105 HydrophobicContact CZ3-CG2 3.98Å; F61-V105 HydrophobicContact CD1-CG1 4.4Å; A63-V105 HydrophobicContact CB-CG2 4.33Å; L103-V105 HydrophobicContact CD2-CG2 4Å; L103-V105 HydrophobicContact CG-CG2 4.03Å; V105-S115 CarbonylContact O-C 3.45Å; V105-S115 VanDerWaalsContact O-CA 3.3Å; V105-S115 WeakPolarHBondContact O-CA 3.12Å; V105-S116 PolarHBondContact N-O 3.12Å; V105-S116 PolarHBondContact O-N 2.82Å |
| 106 | T | 92.3 | Very high | 89.6 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.8 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | F61 I62 N104 V108 A113 S114 S115 | F61-T106 WeakPolarHBondContact CA-O 3.44Å; I62-T106 PolarHBondContact N-O 2.76Å; I62-T106 PolarHBondContact O-N 3.21Å; N104-T106 PolarHBondContact OD1-OG1 2.89Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å; T106-A113 HydrophobicContact CG2-CB 3.99Å; T106-S114 CarbonylContact C-O 3.59Å; T106-S114 WeakPolarHBondContact CA-O 3.3Å; T106-S115 WeakPolarHBondContact CG2-OG 3.5Å; T106-S115 PolarHBondContact OG1-OG 3.23Å |
| 107 | A | 90.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | M59 F61 A113 S114 | M59-A107 HydrophobicContact CE-CB 4.39Å; M59-A107 HydrophobicContact SD-CB 4.26Å; F61-A107 HydrophobicContact CD1-CB 3.94Å; F61-A107 HydrophobicContact CE1-CB 3.73Å; A107-A113 CarbonylContact O-C 3.5Å; A107-A113 VanDerWaalsContact O-CA 3.27Å; A107-A113 WeakPolarHBondContact O-CA 3.4Å; A107-S114 PolarHBondContact N-O 2.97Å; A107-S114 PolarHBondContact O-N 2.89Å |
| 108 | V | 88.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.3 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | S60 I62 T106 | S60-V108 PolarHBondContact N-O 2.79Å; S60-V108 VanDerWaalsContact N-O 3.15Å; S60-V108 PolarHBondContact O-N 3.19Å; I62-V108 HydrophobicContact CD1-CG2 4.02Å; I62-V108 HydrophobicContact CG1-CG2 4.34Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å |
| 109 | H | 84.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 160.8 | 175.9 | 53.2 | -85.6 | 0 | 0 | 0 | 109.7 | M59 G111 G112 | M59-H109 HydrophobicContact CE-CB 4.48Å; H109-G111 PolarHBondContact O-N 3.18Å; H109-G112 CarbonylContact C-O 3.59Å; H109-G112 PolarHBondContact CD2-N 3.16Å; H109-G112 VanDerWaalsContact CD2-N 3.29Å; H109-G112 PolarHBondContact CD2-O 3.36Å; H109-G112 PolarHBondContact CE1-O 3.09Å; H109-G112 VanDerWaalsContact CE1-O 3.25Å; H109-G112 VanDerWaalsContact CG-O 3.24Å; H109-G112 PolarHBondContact N-O 3.17Å; H109-G112 PolarHBondContact ND1-O 3.41Å; H109-G112 VanDerWaalsContact ND1-O 3.11Å; H109-G112 PolarHBondContact NE2-N 3.13Å; H109-G112 PolarHBondContact NE2-O 3.37Å; H109-G112 CarbonylContact O-C 3.59Å; H109-G112 PolarHBondContact O-N 3.19Å |
| 110 | P | 81.6 | Confident | 90.8 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.2 | -174.8 | -33.6 | 46.1 | 0 | 0 | 0 | 115.5 | R57 | R57-P110 HydrophobicContact CB-CG 4.36Å; R57-P110 VanDerWaalsContact CD-CG 3.46Å; R57-P110 HydrophobicContact CG-CG 3.77Å |
| 111 | G | 77.9 | Confident | 90.9 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 77% | 0.773 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | H109 | H109-G111 PolarHBondContact O-N 3.18Š|
| 112 | G | 84.5 | Confident | 90.9 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150 | -167.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | H109 | H109-G112 CarbonylContact C-O 3.59Å; H109-G112 PolarHBondContact CD2-N 3.16Å; H109-G112 VanDerWaalsContact CD2-N 3.29Å; H109-G112 PolarHBondContact CD2-O 3.36Å; H109-G112 PolarHBondContact CE1-O 3.09Å; H109-G112 VanDerWaalsContact CE1-O 3.25Å; H109-G112 VanDerWaalsContact CG-O 3.24Å; H109-G112 PolarHBondContact N-O 3.17Å; H109-G112 PolarHBondContact ND1-O 3.41Å; H109-G112 VanDerWaalsContact ND1-O 3.11Å; H109-G112 PolarHBondContact NE2-N 3.13Å; H109-G112 PolarHBondContact NE2-O 3.37Å; H109-G112 CarbonylContact O-C 3.59Å; H109-G112 PolarHBondContact O-N 3.19Å |
| 113 | A | 86.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 38 Ų | 38 | 55% | 0.554 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T106 A107 | T106-A113 HydrophobicContact CG2-CB 3.99Å; A107-A113 CarbonylContact O-C 3.5Å; A107-A113 VanDerWaalsContact O-CA 3.27Å; A107-A113 WeakPolarHBondContact O-CA 3.4Å |
| 114 | S | 87.7 | Confident | 90.8 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.7 | 171.3 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | S28 T106 A107 | S28-S114 PolarHBondContact O-OG 3.24Å; S28-S114 VanDerWaalsContact O-OG 3.08Å; T106-S114 CarbonylContact C-O 3.59Å; T106-S114 WeakPolarHBondContact CA-O 3.3Å; A107-S114 PolarHBondContact N-O 2.97Å; A107-S114 PolarHBondContact O-N 2.89Å |
| 115 | S | 89.5 | Confident | 90.9 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.2 | -175.8 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | Q29 V105 T106 | Q29-S115 PolarHBondContact NE2-O 2.96Å; Q29-S115 VanDerWaalsContact NE2-O 3.16Å; V105-S115 CarbonylContact O-C 3.45Å; V105-S115 VanDerWaalsContact O-CA 3.3Å; V105-S115 WeakPolarHBondContact O-CA 3.12Å; T106-S115 WeakPolarHBondContact CG2-OG 3.5Å; T106-S115 PolarHBondContact OG1-OG 3.23Å |
| 116 | S | 91.8 | Very high | 91 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134 | 171.4 | -71 | 0 | 0 | 0 | 0 | 110.1 | Q29 P30 N104 V105 | Q29-S116 WeakPolarHBondContact CB-OG 3.31Å; P30-S116 WeakPolarHBondContact CD-OG 3.32Å; P30-S116 WeakPolarHBondContact CG-OG 3.36Å; P30-S116 VanDerWaalsContact N-OG 3.17Å; P30-S116 WeakPolarHBondContact O-CB 3.5Å; P30-S116 PolarHBondContact O-OG 2.82Å; N104-S116 WeakPolarHBondContact CA-O 3.48Å; V105-S116 PolarHBondContact N-O 3.12Å; V105-S116 PolarHBondContact O-N 2.82Å |
| 117 | L | 93.3 | Very high | 91.3 | Very high | 124 Ų | 124 | 48 Ų | 48 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | 172.6 | -65.5 | 175.3 | 0 | 0 | 0 | 110.2 | V102 L103 N104 | V102-L117 HydrophobicContact CG1-CD2 4.32Å; L103-L117 CarbonylContact O-C 3.6Å; L103-L117 VanDerWaalsContact O-CA 3.31Å; L103-L117 WeakPolarHBondContact O-CA 3.4Å; N104-L117 HydrophobicContact CB-CD2 3.51Å |
| 118 | L | 95.4 | Very high | 91.7 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.5 | 173.1 | -179.5 | 66.3 | 0 | 0 | 0 | 109.8 | V32 C34 L103 F120 | V32-L118 HydrophobicContact CB-CB 4.4Å; V32-L118 HydrophobicContact CB-CD2 4.19Å; V32-L118 HydrophobicContact CG1-CB 4.39Å; V32-L118 HydrophobicContact CG1-CD2 3.86Å; C34-L118 HydrophobicContact CB-CD2 4.28Å; L103-L118 PolarHBondContact N-O 3.4Å; L103-L118 PolarHBondContact O-N 2.88Å; L118-F120 HydrophobicContact CD2-CD1 4.49Å; L118-F120 HydrophobicContact CG-CD1 4.4Å |
| 119 | A | 95.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M69 Y101 V102 | M69-A119 HydrophobicContact SD-CB 4.41Å; Y101-A119 CarbonylContact O-C 3.57Å; Y101-A119 WeakPolarHBondContact O-CA 3.23Å; V102-A119 HydrophobicContact CG2-CB 4.27Å |
| 120 | F | 95.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.1 | 175.5 | 62.7 | -95.3 | 0 | 0 | 0 | 112.3 | C34 V43 P100 Y101 L103 L118 I125 | C34-F120 HydrophobicContact CB-CD1 4.26Å; C34-F120 HydrophobicContact CB-CE1 4.21Å; V43-F120 HydrophobicContact CB-CE2 4.29Å; V43-F120 HydrophobicContact CB-CZ 4.42Å; V43-F120 HydrophobicContact CG1-CE2 3.9Å; V43-F120 HydrophobicContact CG1-CZ 3.91Å; V43-F120 HydrophobicContact CG2-CE2 4.02Å; P100-F120 CarbonylContact C-O 3.59Å; P100-F120 VanDerWaalsContact CA-O 3.31Å; P100-F120 WeakPolarHBondContact CA-O 3.31Å; Y101-F120 HydrophobicContact CD2-CD2 4.33Å; Y101-F120 AromaticContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CG-CD2 4.42Å; Y101-F120 AromaticContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CZ 4.03Å; Y101-F120 PolarHBondContact N-O 3.42Å; Y101-F120 PolarHBondContact O-N 2.78Å; L103-F120 HydrophobicContact CB-CE1 4.1Å; L118-F120 HydrophobicContact CD2-CD1 4.49Å; L118-F120 HydrophobicContact CG-CD1 4.4Å; F120-I125 HydrophobicContact CB-CD1 4.28Å; F120-I125 HydrophobicContact CB-CG2 4.14Å; F120-I125 HydrophobicContact CD2-CD1 3.41Å; F120-I125 VanDerWaalsContact CD2-CD1 3.41Å; F120-I125 HydrophobicContact CD2-CG1 4.21Å; F120-I125 HydrophobicContact CE2-CD1 3.83Å; F120-I125 HydrophobicContact CG-CD1 3.88Å |
| 121 | V | 95.3 | Very high | 93.6 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | trans | -106.8 | 131 | 166.7 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | S97 P100 E123 R124 I125 | S97-V121 WeakPolarHBondContact O-CG1 3.5Å; P100-V121 HydrophobicContact CB-CG2 4.24Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 VanDerWaalsContact CG1-OE2 3.28Å; V121-E123 WeakPolarHBondContact CG1-OE2 3.18Å; V121-E123 PolarHBondContact O-N 2.85Å; V121-R124 HydrophobicContact CB-CB 4.35Å; V121-R124 HydrophobicContact CB-CG 4.05Å; V121-R124 HydrophobicContact CG1-CG 4.26Å; V121-R124 PolarHBondContact O-N 3.43Å; V121-I125 PolarHBondContact O-N 3.17Å | ||
| 122 | A | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -43.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y39 V43 V93 Y101 R124 I125 I126 | Y39-A122 HydrophobicContact CE2-CB 4.49Å; V43-A122 HydrophobicContact CG2-CB 4.29Å; V93-A122 HydrophobicContact CG1-CB 3.26Å; Y101-A122 HydrophobicContact CE2-CB 4.38Å; A122-R124 PolarHBondContact O-N 2.93Å; A122-I125 CarbonylContact O-C 3.49Å; A122-I125 WeakPolarHBondContact O-CG1 3.28Å; A122-I125 PolarHBondContact O-N 2.89Å; A122-I126 PolarHBondContact O-N 2.77Å |
| 123 | E | 94.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -59.6 | -35.7 | 178.3 | -65.6 | 83.9 | 168 | 0 | 0 | 111.6 | Y39 F96 S97 V121 I125 I126 Y209 G210 | Y39-E123 HydrophobicContact CE2-CG 4.49Å; F96-E123 WeakPolarHBondContact CA-OE1 3.46Å; F96-E123 PolarHBondContact N-OE1 3.49Å; S97-E123 PolarHBondContact N-OE1 2.85Å; S97-E123 VanDerWaalsContact N-OE1 3.16Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 VanDerWaalsContact CG1-OE2 3.28Å; V121-E123 WeakPolarHBondContact CG1-OE2 3.18Å; V121-E123 PolarHBondContact O-N 2.85Å; E123-I125 VanDerWaalsContact C-N 3.25Å; E123-I125 PolarHBondContact O-N 3.41Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.32Å; E123-Y209 HydrophobicContact CB-CD1 4.4Å; E123-Y209 HydrophobicContact CB-CD2 4.11Å; E123-Y209 HydrophobicContact CB-CG 4.05Å; E123-Y209 HydrophobicContact CG-CD2 4.2Å; E123-Y209 HydrophobicContact CG-CE2 4.41Å; E123-Y209 WeakPolarHBondContact O-CB 3.44Å; E123-G210 PolarHBondContact O-N 3.39Å; E123-G210 VanDerWaalsContact O-N 3.11Å |
| 124 | R | 95.5 | Very high | 95.6 | Very high | 196 Ų | 196 | 42.4 Ų | 42.4 | 74% | 0.74 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -74.8 | -15.9 | 179.8 | -62.7 | -171.7 | 179 | -138.4 | -0.1 | 113.5 | V121 A122 | V121-R124 HydrophobicContact CB-CB 4.35Å; V121-R124 HydrophobicContact CB-CG 4.05Å; V121-R124 HydrophobicContact CG1-CG 4.26Å; V121-R124 PolarHBondContact O-N 3.43Å; A122-R124 PolarHBondContact O-N 2.93Å |
| 125 | I | 97 | Very high | 96.1 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -113.2 | 11.6 | 179.5 | 66.1 | 163.8 | 0 | 0 | 0 | 112.8 | C34 A36 V43 F120 V121 A122 E123 K127 | C34-I125 HydrophobicContact CB-CD1 3.89Å; A36-I125 HydrophobicContact CB-CG1 4.26Å; A36-I125 PolarHBondContact N-O 3.43Å; V43-I125 HydrophobicContact CG1-CD1 3.51Å; V43-I125 HydrophobicContact CG2-CD1 4.18Å; F120-I125 HydrophobicContact CB-CD1 4.28Å; F120-I125 HydrophobicContact CB-CG2 4.14Å; F120-I125 HydrophobicContact CD2-CD1 3.41Å; F120-I125 VanDerWaalsContact CD2-CD1 3.41Å; F120-I125 HydrophobicContact CD2-CG1 4.21Å; F120-I125 HydrophobicContact CE2-CD1 3.83Å; F120-I125 HydrophobicContact CG-CD1 3.88Å; V121-I125 PolarHBondContact O-N 3.17Å; A122-I125 CarbonylContact O-C 3.49Å; A122-I125 WeakPolarHBondContact O-CG1 3.28Å; A122-I125 PolarHBondContact O-N 2.89Å; E123-I125 VanDerWaalsContact C-N 3.25Å; E123-I125 PolarHBondContact O-N 3.41Å; I125-K127 PolarHBondContact O-N 3.01Å |
| 126 | I | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -56 | 123.4 | 167 | -67.1 | 174.4 | 0 | 0 | 0 | 108.2 | A36 Y39 A122 E123 W153 D205 G210 K211 | A36-I126 HydrophobicContact CB-CG1 4.24Å; Y39-I126 HydrophobicContact CD1-CD1 3.73Å; Y39-I126 HydrophobicContact CD1-CG1 4.38Å; Y39-I126 HydrophobicContact CD2-CD1 3.81Å; Y39-I126 HydrophobicContact CD2-CG1 3.87Å; Y39-I126 HydrophobicContact CE1-CD1 3.86Å; Y39-I126 HydrophobicContact CE2-CD1 3.95Å; Y39-I126 HydrophobicContact CE2-CG1 4.39Å; Y39-I126 HydrophobicContact CG-CD1 3.7Å; Y39-I126 HydrophobicContact CG-CG1 3.86Å; A122-I126 PolarHBondContact O-N 2.77Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.32Å; I126-W153 HydrophobicContact CG2-CH2 3.82Å; I126-W153 HydrophobicContact CG2-CZ3 4.12Å; I126-D205 HydrophobicContact CG2-CB 4.04Å; I126-G210 CarbonylContact O-C 3.5Å; I126-G210 WeakPolarHBondContact O-CA 3.41Å; I126-K211 PolarHBondContact O-N 3.13Å |
| 127 | K | 98.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | trans | -154.1 | 92.8 | 171.8 | -174 | -171.5 | 157.5 | 76.9 | 0 | 106.7 | R35 A36 I125 K211 P212 D214 | R35-K127 HydrophobicContact CG-CB 4.04Å; R35-K127 PolarHBondContact NE-O 2.88Å; R35-K127 PolarHBondContact NH2-O 3.45Å; R35-K127 VanDerWaalsContact NH2-O 3.12Å; A36-K127 PolarHBondContact O-N 3.18Å; A36-K127 VanDerWaalsContact O-N 3.11Å; I125-K127 PolarHBondContact O-N 3.01Å; K127-K211 WeakPolarHBondContact CA-O 2.96Å; K127-K211 HydrophobicContact CB-CB 4.48Å; K127-K211 HydrophobicContact CG-CB 4.23Å; K127-P212 WeakPolarHBondContact CG-O 3.41Å; K127-P212 PolarHBondContact NZ-O 3.31Å; K127-D214 IonicContact NZ-OD1 2.6Å; K127-D214 PolarHBondContact NZ-OD1 2.86Å | ||
| 128 | P | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 159.3 | 179.2 | -21.3 | 30.8 | 0 | 0 | 0 | 111.4 | R35 W153 L161 A203 S213 | R35-P128 PolarHBondContact NH2-O 2.88Å; P128-W153 HydrophobicContact CB-CE3 3.97Å; P128-W153 HydrophobicContact CB-CZ3 4.15Å; P128-W153 HydrophobicContact CG-CE3 4Å; P128-W153 HydrophobicContact CG-CH2 4.21Å; P128-W153 HydrophobicContact CG-CZ3 3.72Å; P128-L161 HydrophobicContact CB-CD2 4.41Å; P128-L161 HydrophobicContact CG-CD2 3.77Å; P128-A203 HydrophobicContact CB-CB 4.27Å; P128-S213 WeakPolarHBondContact O-CA 3.3Å; P128-S213 WeakPolarHBondContact O-CB 3.34Å |
| 129 | D | 98.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 163.8 | 165.5 | -67.5 | -42.5 | 0 | 0 | 0 | 110.8 | R35 P150 S152 S213 | R35-D129 IonicContact CZ-OD1 3.45Å; R35-D129 IonicContact NH1-OD1 3.21Å; R35-D129 PolarHBondContact NH1-OD1 2.85Å; R35-D129 IonicContact NH2-OD1 2.84Å; D129-P150 HydrophobicContact CB-CB 4.03Å; D129-P150 WeakPolarHBondContact O-CG 3.41Å; D129-S152 WeakPolarHBondContact CB-OG 3.49Å; D129-S152 WeakPolarHBondContact OD2-CB 3.48Å; D129-S152 PolarHBondContact OD2-OG 2.81Å; D129-S213 VanDerWaalsContact O-CB 3.3Å; D129-S213 WeakPolarHBondContact O-CB 3.45Å |
| 130 | P | 98.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 25% | 0.253 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.4 | 178.6 | -21.9 | 34.2 | 0 | 0 | 0 | 111.9 | D214 | P130-D214 WeakPolarHBondContact CB-O 3.34Å; P130-D214 HydrophobicContact CG-CB 4.18Å; P130-D214 WeakPolarHBondContact CG-O 3.36Å |
| 131 | P | 98.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 146.5 | 172 | -26.8 | 34.7 | 0 | 0 | 0 | 112.6 | W147 H148 Y163 V201 A203 S216 | P131-W147 HydrophobicContact CB-CB 4.31Å; P131-W147 HydrophobicContact CB-CG 4.34Å; P131-H148 WeakPolarHBondContact CA-O 3.3Å; P131-H148 WeakPolarHBondContact CB-O 3.37Å; P131-Y163 HydrophobicContact CG-CD1 3.8Å; P131-Y163 HydrophobicContact CG-CE1 3.93Å; P131-V201 HydrophobicContact CB-CB 4.23Å; P131-V201 HydrophobicContact CB-CG1 4.33Å; P131-V201 HydrophobicContact CG-CB 4.03Å; P131-V201 HydrophobicContact CG-CG1 3.86Å; P131-A203 HydrophobicContact CG-CB 3.93Å; P131-S216 VanDerWaalsContact O-CB 3.32Å; P131-S216 WeakPolarHBondContact O-CB 3.26Å |
| 132 | E | 97.7 | Very high | 94.8 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 163.7 | -175.7 | -68.5 | 179.7 | -150.4 | 0 | 0 | 112 | V134 H148 A151 | E132-V134 VanDerWaalsContact C-N 3.32Å; E132-V134 PolarHBondContact O-N 2.99Å; E132-H148 PolarHBondContact N-O 3.39Å; E132-H148 PolarHBondContact O-N 2.92Å; E132-A151 WeakPolarHBondContact OE1-CB 3.38Å; E132-A151 PolarHBondContact OE1-N 2.66Å |
| 133 | S | 96.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 46.2 | 171.9 | -67.3 | 0 | 0 | 0 | 0 | 114 | R135 | S133-R135 WeakPolarHBondContact O-CG 3.22Å; S133-R135 PolarHBondContact O-N 3.1Å |
| 134 | V | 98 | Very high | 94.7 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 111.6 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | E132 V145 L146 W147 V201 S216 G219 Q220 | E132-V134 VanDerWaalsContact C-N 3.32Å; E132-V134 PolarHBondContact O-N 2.99Å; V134-V145 HydrophobicContact CG1-CG1 4.03Å; V134-L146 CarbonylContact C-O 3.55Å; V134-L146 VanDerWaalsContact CA-O 3.3Å; V134-L146 WeakPolarHBondContact CA-O 3.18Å; V134-W147 HydrophobicContact CG2-CB 4.02Å; V134-V201 HydrophobicContact CG1-CG2 3.96Å; V134-V201 HydrophobicContact CG2-CB 4.41Å; V134-V201 HydrophobicContact CG2-CG2 3.95Å; V134-S216 WeakPolarHBondContact CG2-OG 3.36Å; V134-G219 CarbonylContact O-C 3.51Å; V134-G219 VanDerWaalsContact O-CA 3.23Å; V134-G219 WeakPolarHBondContact O-CA 3.24Å; V134-Q220 PolarHBondContact O-N 3.04Å |
| 135 | R | 96.9 | Very high | 94.7 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.6 | -176.5 | -64.7 | 176.1 | -152.5 | -140.7 | 2.7 | 111.2 | S133 V145 L146 Q220 E222 | S133-R135 WeakPolarHBondContact O-CG 3.22Å; S133-R135 PolarHBondContact O-N 3.1Å; R135-V145 WeakPolarHBondContact O-CA 3.45Å; R135-L146 PolarHBondContact N-O 2.85Å; R135-L146 PolarHBondContact O-N 2.04Å; R135-Q220 CarbonylContact C-O 3.54Å; R135-Q220 WeakPolarHBondContact CA-O 3.24Å; R135-E222 IonicContact NH1-OE1 3.51Å |
| 136 | L | 94.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.5 | -179.5 | -51.9 | -179.4 | 0 | 0 | 0 | 109.8 | L143 Q144 V145 I199 Q220 E222 | L136-L143 HydrophobicContact CB-CD1 4.09Å; L136-Q144 WeakPolarHBondContact CA-O 3.43Å; L136-V145 HydrophobicContact CD2-CB 4.26Å; L136-V145 HydrophobicContact CD2-CG1 3.91Å; L136-V145 HydrophobicContact CD2-CG2 3.86Å; L136-I199 HydrophobicContact CD2-CB 4.14Å; L136-I199 HydrophobicContact CD2-CD1 3.89Å; L136-I199 HydrophobicContact CD2-CG1 4.29Å; L136-Q220 PolarHBondContact N-O 2.8Å; L136-E222 PolarHBondContact O-N 2.83Å |
| 137 | R | 92.8 | Very high | 94.8 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.8 | 177.9 | -61.3 | 179.4 | 177.2 | -175.6 | -13.3 | 110 | L143 Q144 L146 E222 | R137-L143 WeakPolarHBondContact O-CA 3.48Å; R137-Q144 HydrophobicContact CB-CB 4.26Å; R137-Q144 PolarHBondContact N-O 3.22Å; R137-Q144 PolarHBondContact O-N 2.86Å; R137-L146 HydrophobicContact CG-CD1 4.01Å; R137-E222 VanDerWaalsContact CD-OE2 3.31Å; R137-E222 WeakPolarHBondContact CD-OE2 3.5Å; R137-E222 HydrophobicContact CG-CB 4.18Å; R137-E222 VanDerWaalsContact CG-OE2 3.29Å; R137-E222 WeakPolarHBondContact CG-OE2 3.48Å; R137-E222 IonicContact CZ-OE1 3.65Å; R137-E222 IonicContact CZ-OE2 3.55Å; R137-E222 VanDerWaalsContact NE-CD 3.35Å; R137-E222 IonicContact NE-OE1 2.74Å; R137-E222 PolarHBondContact NE-OE1 2.83Å; R137-E222 IonicContact NE-OE2 2.73Å; R137-E222 PolarHBondContact NE-OE2 3.26Å; R137-E222 IonicContact NH2-OE1 2.82Å; R137-E222 PolarHBondContact NH2-OE1 3.37Å; R137-E222 IonicContact NH2-OE2 2.79Å; R137-E222 PolarHBondContact NH2-OE2 3.15Å |
| 138 | A | 89.9 | Confident | 94.8 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L143 | A138-L143 HydrophobicContact CB-CD1 4.38Å |
| 139 | A | 85.8 | Confident | 94.8 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 91.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q141 Q142 | A139-Q141 PolarHBondContact O-N 3.32Å; A139-Q141 VanDerWaalsContact O-N 3.15Å; A139-Q142 PolarHBondContact N-O 2.82Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.68Å |
| 140 | G | 85.2 | Confident | 94.8 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -115.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q142 | G140-Q142 VanDerWaalsContact C-N 3.32Š|
| 141 | Q | 88.9 | Confident | 94.7 | Very high | 129 Ų | 129 | 55.4 Ų | 55.4 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 18.9 | 176.3 | -66.9 | -176.2 | -14.1 | 0 | 0 | 113.1 | A139 T190 | A139-Q141 PolarHBondContact O-N 3.32Å; A139-Q141 VanDerWaalsContact O-N 3.15Å; Q141-T190 VanDerWaalsContact C-OG1 3.22Å; Q141-T190 WeakPolarHBondContact CA-OG1 3.36Å; Q141-T190 PolarHBondContact O-N 2.04Å; Q141-T190 PolarHBondContact O-OG1 3.41Å |
| 142 | Q | 91.6 | Very high | 94.6 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.5 | 177.4 | -60.8 | -177 | 0.1 | 0 | 0 | 110.4 | A139 G140 T187 L188 | A139-Q142 PolarHBondContact N-O 2.82Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.68Å; G140-Q142 VanDerWaalsContact C-N 3.32Å; Q142-T187 HydrophobicContact CB-CG2 4Å; Q142-T187 HydrophobicContact CG-CG2 4.27Å; Q142-L188 WeakPolarHBondContact CA-O 3.1Å |
| 143 | L | 92.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 106.1 | 172 | -174.4 | 68 | 0 | 0 | 0 | 107.8 | L136 R137 A138 L188 T190 Y197 I199 | L136-L143 HydrophobicContact CB-CD1 4.09Å; R137-L143 WeakPolarHBondContact O-CA 3.48Å; A138-L143 HydrophobicContact CB-CD1 4.38Å; L143-L188 HydrophobicContact CB-CB 4.35Å; L143-L188 PolarHBondContact N-O 3.05Å; L143-L188 PolarHBondContact O-N 2.83Å; L143-T190 HydrophobicContact CB-CG2 3.75Å; L143-Y197 HydrophobicContact CD2-CD2 3.89Å; L143-Y197 HydrophobicContact CD2-CG 4.3Å; L143-I199 HydrophobicContact CD2-CD1 3.72Å |
| 144 | Q | 95.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.2 | 174.8 | -166.5 | -177 | 34.8 | 0 | 0 | 108.9 | L136 R137 L146 | L136-Q144 WeakPolarHBondContact CA-O 3.43Å; R137-Q144 HydrophobicContact CB-CB 4.26Å; R137-Q144 PolarHBondContact N-O 3.22Å; R137-Q144 PolarHBondContact O-N 2.86Å; Q144-L146 HydrophobicContact CB-CD1 4.29Å; Q144-L146 HydrophobicContact CG-CD1 3.76Å; Q144-L146 HydrophobicContact CG-CG 4.3Å |
| 145 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.7 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 106.7 | V134 R135 L136 W147 T185 F186 I199 | V134-V145 HydrophobicContact CG1-CG1 4.03Å; R135-V145 WeakPolarHBondContact O-CA 3.45Å; L136-V145 HydrophobicContact CD2-CB 4.26Å; L136-V145 HydrophobicContact CD2-CG1 3.91Å; L136-V145 HydrophobicContact CD2-CG2 3.86Å; V145-W147 HydrophobicContact CB-CZ3 4.25Å; V145-W147 HydrophobicContact CG1-CE3 3.96Å; V145-W147 HydrophobicContact CG1-CZ3 4.01Å; V145-T185 CarbonylContact O-C 3.45Å; V145-T185 VanDerWaalsContact O-CA 3.26Å; V145-T185 WeakPolarHBondContact O-CA 3.3Å; V145-T185 PolarHBondContact O-OG1 3.29Å; V145-F186 HydrophobicContact CB-CB 4.44Å; V145-F186 WeakPolarHBondContact CB-O 3.4Å; V145-F186 HydrophobicContact CG2-CD1 4.23Å; V145-F186 PolarHBondContact N-O 2.79Å; V145-F186 PolarHBondContact O-N 3.01Å; V145-I199 HydrophobicContact CG1-CG2 3.97Å; V145-I199 HydrophobicContact CG2-CD1 3.7Å; V145-I199 HydrophobicContact CG2-CG2 4.27Å |
| 146 | L | 97.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.2 | 177.1 | -57 | 91.9 | 0 | 0 | 0 | 108.8 | V134 R135 R137 Q144 | V134-L146 CarbonylContact C-O 3.55Å; V134-L146 VanDerWaalsContact CA-O 3.3Å; V134-L146 WeakPolarHBondContact CA-O 3.18Å; R135-L146 PolarHBondContact N-O 2.85Å; R135-L146 PolarHBondContact O-N 2.04Å; R137-L146 HydrophobicContact CG-CD1 4.01Å; Q144-L146 HydrophobicContact CB-CD1 4.29Å; Q144-L146 HydrophobicContact CG-CD1 3.76Å; Q144-L146 HydrophobicContact CG-CG 4.3Å |
| 147 | W | 98.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 170.6 | 175.3 | 58.1 | 91.4 | 0 | 0 | 0 | 110.6 | P131 V134 V145 Y163 V165 I181 A183 T184 F186 V201 | P131-W147 HydrophobicContact CB-CB 4.31Å; P131-W147 HydrophobicContact CB-CG 4.34Å; V134-W147 HydrophobicContact CG2-CB 4.02Å; V145-W147 HydrophobicContact CB-CZ3 4.25Å; V145-W147 HydrophobicContact CG1-CE3 3.96Å; V145-W147 HydrophobicContact CG1-CZ3 4.01Å; W147-Y163 AromaticContact CD1-CD1 3.95Å; W147-Y163 AromaticContact CD1-CE1 3.87Å; W147-Y163 AromaticContact CE2-CG 3.83Å; W147-Y163 HydrophobicContact CZ2-CD2 4.04Å; W147-Y163 AromaticContact CZ2-CG 3.93Å; W147-Y163 HydrophobicContact CZ2-CG 3.93Å; W147-Y163 AromaticContact NE1-CD1 3.3Å; W147-Y163 VanDerWaalsContact NE1-CD1 3.3Å; W147-Y163 AromaticContact NE1-CD2 3.41Å; W147-Y163 AromaticContact NE1-CE1 3.52Å; W147-Y163 AromaticContact NE1-CE2 3.65Å; W147-Y163 AromaticContact NE1-CG 3.25Å; W147-Y163 AromaticContact NE1-CZ 3.7Å; W147-V165 HydrophobicContact CH2-CG2 3.86Å; W147-V165 HydrophobicContact CZ3-CG2 4.05Å; W147-I181 HydrophobicContact CH2-CD1 4.38Å; W147-I181 HydrophobicContact CH2-CG2 4.43Å; W147-I181 HydrophobicContact CZ2-CG2 4.42Å; W147-A183 WeakPolarHBondContact CZ2-O 3.26Å; W147-T184 PolarHBondContact N-O 2.86Å; W147-T184 WeakPolarHBondContact O-CB 3.3Å; W147-F186 HydrophobicContact CH2-CB 3.73Å; W147-F186 HydrophobicContact CZ3-CB 3.74Å; W147-V201 HydrophobicContact CD2-CG1 3.95Å; W147-V201 HydrophobicContact CD2-CG2 4.1Å; W147-V201 HydrophobicContact CE3-CG1 4.43Å; W147-V201 HydrophobicContact CE3-CG2 3.95Å; W147-V201 HydrophobicContact CG-CG1 4.21Å; W147-V201 HydrophobicContact CG-CG2 4.38Å; W147-V201 HydrophobicContact CZ2-CG1 4.25Å |
| 148 | H | 98 | Very high | 94.2 | Very high | 97 Ų | 97 | 61 Ų | 61 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.7 | 171.7 | -64.6 | 71.5 | 0 | 0 | 0 | 109.5 | P131 E132 | P131-H148 WeakPolarHBondContact CA-O 3.3Å; P131-H148 WeakPolarHBondContact CB-O 3.37Å; E132-H148 PolarHBondContact N-O 3.39Å; E132-H148 PolarHBondContact O-N 2.92Å |
| 149 | P | 98 | Very high | 94.5 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | trans | -53.2 | 153.8 | 164.4 | -20.5 | 31.7 | 0 | 0 | 0 | 110.6 | P156 L161 T184 | P149-P156 HydrophobicContact CB-CB 4.13Å; P149-P156 HydrophobicContact CB-CG 4.45Å; P149-P156 HydrophobicContact CG-CB 4.02Å; P149-P156 HydrophobicContact CG-CG 4.3Å; P149-L161 HydrophobicContact CB-CD1 4.45Å; P149-T184 HydrophobicContact CG-CG2 4.45Å | ||
| 150 | P | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | trans | -60.9 | 139.1 | 175.8 | -15.4 | 28.9 | 0 | 0 | 0 | 110.4 | D129 S152 W153 | D129-P150 HydrophobicContact CB-CB 4.03Å; D129-P150 WeakPolarHBondContact O-CG 3.41Å; P150-S152 PolarHBondContact O-N 3.48Å; P150-S152 VanDerWaalsContact O-N 3.17Å; P150-W153 WeakPolarHBondContact O-CB 3.19Å; P150-W153 PolarHBondContact O-N 2.96Å | ||
| 151 | A | 97.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 69% | 0.686 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E132 W153 | E132-A151 WeakPolarHBondContact OE1-CB 3.38Å; E132-A151 PolarHBondContact OE1-N 2.66Å; A151-W153 PolarHBondContact O-N 3.34Å |
| 152 | S | 96.9 | Very high | 96 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.1 | 173.4 | 58 | 0 | 0 | 0 | 0 | 113.9 | R38 D129 P150 P154 | R38-S152 VanDerWaalsContact CA-O 3.26Å; R38-S152 WeakPolarHBondContact CA-O 3.29Å; R38-S152 WeakPolarHBondContact CB-O 3.26Å; D129-S152 WeakPolarHBondContact CB-OG 3.49Å; D129-S152 WeakPolarHBondContact OD2-CB 3.48Å; D129-S152 PolarHBondContact OD2-OG 2.81Å; P150-S152 PolarHBondContact O-N 3.48Å; P150-S152 VanDerWaalsContact O-N 3.17Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å |
| 153 | W | 97.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | trans | -92.7 | 103.2 | 178.3 | -163.1 | -97.6 | 0 | 0 | 0 | 110.3 | S37 Y39 I126 P128 P150 A151 F155 F159 L161 | S37-W153 VanDerWaalsContact O-CE3 3.29Å; Y39-W153 HydrophobicContact CD1-CH2 4.33Å; I126-W153 HydrophobicContact CG2-CH2 3.82Å; I126-W153 HydrophobicContact CG2-CZ3 4.12Å; P128-W153 HydrophobicContact CB-CE3 3.97Å; P128-W153 HydrophobicContact CB-CZ3 4.15Å; P128-W153 HydrophobicContact CG-CE3 4Å; P128-W153 HydrophobicContact CG-CH2 4.21Å; P128-W153 HydrophobicContact CG-CZ3 3.72Å; P150-W153 WeakPolarHBondContact O-CB 3.19Å; P150-W153 PolarHBondContact O-N 2.96Å; A151-W153 PolarHBondContact O-N 3.34Å; W153-F155 PolarHBondContact O-N 3Å; W153-F159 HydrophobicContact CZ2-CB 4Å; W153-F159 PolarHBondContact NE1-O 3.07Å; W153-L161 HydrophobicContact CB-CD1 4.36Å; W153-L161 HydrophobicContact CD2-CD1 4.18Å; W153-L161 HydrophobicContact CD2-CD2 4.02Å; W153-L161 HydrophobicContact CD2-CG 4.36Å; W153-L161 HydrophobicContact CE3-CD2 4.49Å; W153-L161 HydrophobicContact CG-CD1 3.86Å; W153-L161 HydrophobicContact CG-CG 4.36Å; W153-L161 HydrophobicContact CH2-CD2 4.22Å; W153-L161 HydrophobicContact CZ2-CD2 3.7Å; W153-L161 HydrophobicContact CZ2-CG 4.5Å | ||
| 154 | P | 95.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -75.8 | -28 | -160.6 | 27.6 | -34.1 | 0 | 0 | 0 | 114.3 | V41 S152 | V41-P154 HydrophobicContact CG2-CB 4.18Å; V41-P154 HydrophobicContact CG2-CG 3.65Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å |
| 155 | F | 95.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | trans | -135.5 | 63.8 | -170.6 | -50.4 | -61.8 | 0 | 0 | 0 | 112 | V41 W153 D157 I158 F159 | V41-F155 HydrophobicContact CG2-CE2 3.66Å; V41-F155 HydrophobicContact CG2-CZ 4.27Å; W153-F155 PolarHBondContact O-N 3Å; F155-D157 PolarHBondContact O-N 3.42Å; F155-D157 VanDerWaalsContact O-N 3.16Å; F155-I158 HydrophobicContact CB-CB 4.27Å; F155-I158 HydrophobicContact CB-CD1 4.48Å; F155-I158 PolarHBondContact O-N 3.11Å; F155-I158 VanDerWaalsContact O-N 3.13Å; F155-F159 HydrophobicContact CB-CD2 4.08Å; F155-F159 HydrophobicContact CD2-CD2 4.43Å; F155-F159 PolarHBondContact O-N 3.31Å | ||
| 156 | P | 94.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.3 | -177.8 | 26.7 | -34.9 | 0 | 0 | 0 | 113.9 | P149 S160 | P149-P156 HydrophobicContact CB-CB 4.13Å; P149-P156 HydrophobicContact CB-CG 4.45Å; P149-P156 HydrophobicContact CG-CB 4.02Å; P149-P156 HydrophobicContact CG-CG 4.3Å; P156-S160 VanDerWaalsContact O-CA 3.29Å; P156-S160 WeakPolarHBondContact O-CA 3.3Å; P156-S160 PolarHBondContact O-OG 3.21Å |
| 157 | D | 93.1 | Very high | 96.8 | Very high | 151 Ų | 151 | 48 Ų | 48 | 81% | 0.807 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -20.2 | 178.7 | -56 | -44.1 | 0 | 0 | 0 | 113.2 | F155 | F155-D157 PolarHBondContact O-N 3.42Å; F155-D157 VanDerWaalsContact O-N 3.16Å |
| 158 | I | 93.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 66% | 0.656 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -46.2 | -179.7 | -55.7 | 174.3 | 0 | 0 | 0 | 110.1 | F155 | F155-I158 HydrophobicContact CB-CB 4.27Å; F155-I158 HydrophobicContact CB-CD1 4.48Å; F155-I158 PolarHBondContact O-N 3.11Å; F155-I158 VanDerWaalsContact O-N 3.13Å |
| 159 | F | 94.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -105 | 79.7 | 174.1 | -63.8 | -86.9 | 0 | 0 | 0 | 107.9 | Y39 P40 L95 W153 F155 | Y39-F159 HydrophobicContact CD1-CD1 4.05Å; Y39-F159 HydrophobicContact CD1-CE1 4.38Å; Y39-F159 AromaticContact CE1-CD1 3.65Å; Y39-F159 HydrophobicContact CE1-CD1 3.65Å; Y39-F159 AromaticContact CE1-CE1 3.66Å; Y39-F159 HydrophobicContact CE1-CE1 3.66Å; P40-F159 HydrophobicContact CB-CZ 4.26Å; P40-F159 HydrophobicContact CG-CD2 4.16Å; P40-F159 HydrophobicContact CG-CE1 4.34Å; P40-F159 HydrophobicContact CG-CE2 3.54Å; P40-F159 HydrophobicContact CG-CZ 3.64Å; L95-F159 HydrophobicContact CD1-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CE1 3.95Å; L95-F159 HydrophobicContact CD2-CZ 3.86Å; W153-F159 HydrophobicContact CZ2-CB 4Å; W153-F159 PolarHBondContact NE1-O 3.07Å; F155-F159 HydrophobicContact CB-CD2 4.08Å; F155-F159 HydrophobicContact CD2-CD2 4.43Å; F155-F159 PolarHBondContact O-N 3.31Å |
| 160 | S | 96.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -66 | 146.7 | -172.8 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | P156 L206 | P156-S160 VanDerWaalsContact O-CA 3.29Å; P156-S160 WeakPolarHBondContact O-CA 3.3Å; P156-S160 PolarHBondContact O-OG 3.21Å; S160-L206 WeakPolarHBondContact O-CB 3.09Å; S160-L206 PolarHBondContact O-N 3.17Å | ||
| 161 | L | 98 | Very high | 95.6 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.4 | 174.9 | -63.6 | 175.3 | 0 | 0 | 0 | 109.9 | P128 P149 W153 Y163 A203 Q204 | P128-L161 HydrophobicContact CB-CD2 4.41Å; P128-L161 HydrophobicContact CG-CD2 3.77Å; P149-L161 HydrophobicContact CB-CD1 4.45Å; W153-L161 HydrophobicContact CB-CD1 4.36Å; W153-L161 HydrophobicContact CD2-CD1 4.18Å; W153-L161 HydrophobicContact CD2-CD2 4.02Å; W153-L161 HydrophobicContact CD2-CG 4.36Å; W153-L161 HydrophobicContact CE3-CD2 4.49Å; W153-L161 HydrophobicContact CG-CD1 3.86Å; W153-L161 HydrophobicContact CG-CG 4.36Å; W153-L161 HydrophobicContact CH2-CD2 4.22Å; W153-L161 HydrophobicContact CZ2-CD2 3.7Å; W153-L161 HydrophobicContact CZ2-CG 4.5Å; L161-Y163 HydrophobicContact CB-CE1 4.25Å; L161-Y163 HydrophobicContact CB-CE2 4.27Å; L161-A203 HydrophobicContact CD1-CB 4.18Å; L161-Q204 CarbonylContact C-O 3.5Å; L161-Q204 VanDerWaalsContact CA-O 3.29Å; L161-Q204 WeakPolarHBondContact CA-O 3.47Å; L161-Q204 WeakPolarHBondContact CD2-O 3.28Å |
| 162 | K | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 61 Ų | 61 | 10% | 0.1 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.1 | 163.4 | 64.8 | -171.9 | 172 | -160.6 | 0 | 110.6 | P180 I181 E182 A203 Q204 D205 L206 D208 | K162-P180 HydrophobicContact CB-CB 4.14Å; K162-P180 HydrophobicContact CD-CB 3.84Å; K162-P180 HydrophobicContact CG-CB 4.24Å; K162-I181 CarbonylContact C-O 3.51Å; K162-I181 WeakPolarHBondContact CA-O 3.44Å; K162-E182 HydrophobicContact CB-CG 4.44Å; K162-A203 CarbonylContact O-C 3.5Å; K162-Q204 HydrophobicContact CG-CB 4.25Å; K162-Q204 PolarHBondContact N-O 2.97Å; K162-Q204 PolarHBondContact O-N 2.81Å; K162-D205 WeakPolarHBondContact CE-O 3.21Å; K162-L206 HydrophobicContact CB-CD1 4.13Å; K162-L206 HydrophobicContact CD-CD1 4.23Å; K162-L206 PolarHBondContact NZ-O 3.19Å; K162-D208 WeakPolarHBondContact CE-OD1 3.39Å; K162-D208 IonicContact NZ-OD1 3.99Å; K162-D208 PolarHBondContact NZ-OD1 3.29Å; K162-D208 IonicContact NZ-OD2 3.19Å; K162-D208 PolarHBondContact NZ-OD2 3.01Å |
| 163 | Y | 98.7 | Very high | 95.1 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.9 | -171 | -55.3 | -82.3 | 0 | 0 | 0 | 111.6 | P131 W147 L161 P180 I181 A183 T184 V201 S202 A203 | P131-Y163 HydrophobicContact CG-CD1 3.8Å; P131-Y163 HydrophobicContact CG-CE1 3.93Å; W147-Y163 AromaticContact CD1-CD1 3.95Å; W147-Y163 AromaticContact CD1-CE1 3.87Å; W147-Y163 AromaticContact CE2-CG 3.83Å; W147-Y163 HydrophobicContact CZ2-CD2 4.04Å; W147-Y163 AromaticContact CZ2-CG 3.93Å; W147-Y163 HydrophobicContact CZ2-CG 3.93Å; W147-Y163 AromaticContact NE1-CD1 3.3Å; W147-Y163 VanDerWaalsContact NE1-CD1 3.3Å; W147-Y163 AromaticContact NE1-CD2 3.41Å; W147-Y163 AromaticContact NE1-CE1 3.52Å; W147-Y163 AromaticContact NE1-CE2 3.65Å; W147-Y163 AromaticContact NE1-CG 3.25Å; W147-Y163 AromaticContact NE1-CZ 3.7Å; L161-Y163 HydrophobicContact CB-CE1 4.25Å; L161-Y163 HydrophobicContact CB-CE2 4.27Å; Y163-P180 CarbonylContact O-C 3.59Å; Y163-P180 WeakPolarHBondContact O-CA 3.5Å; Y163-I181 WeakPolarHBondContact CD2-O 3.4Å; Y163-I181 PolarHBondContact N-O 3.33Å; Y163-I181 PolarHBondContact O-N 2.76Å; Y163-A183 WeakPolarHBondContact CD2-O 3.37Å; Y163-T184 HydrophobicContact CE2-CG2 4.29Å; Y163-V201 HydrophobicContact CD1-CG1 4.14Å; Y163-V201 HydrophobicContact CG-CG1 4.39Å; Y163-S202 CarbonylContact C-O 3.55Å; Y163-S202 VanDerWaalsContact CA-O 3.25Å; Y163-S202 WeakPolarHBondContact CA-O 3.15Å; Y163-A203 HydrophobicContact CD1-CB 4Å; Y163-A203 HydrophobicContact CE1-CB 3.88Å |
| 164 | R | 98.5 | Very high | 95 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.3 | 164.9 | -68.9 | 178.3 | -65.7 | 148 | 8.8 | 108.3 | V178 V201 S202 W215 | R164-V178 WeakPolarHBondContact CA-O 3.28Å; R164-V201 CarbonylContact O-C 3.58Å; R164-V201 WeakPolarHBondContact O-CA 3.26Å; R164-S202 PolarHBondContact N-O 2.76Å; R164-S202 PolarHBondContact O-N 2.84Å; R164-W215 HydrophobicContact CB-CH2 4.04Å; R164-W215 HydrophobicContact CB-CZ3 4.33Å; R164-W215 WeakPolarHBondContact O-CZ3 3.19Å |
| 165 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.9 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | W147 Q177 V178 I181 F186 I199 Q200 V201 | W147-V165 HydrophobicContact CH2-CG2 3.86Å; W147-V165 HydrophobicContact CZ3-CG2 4.05Å; V165-Q177 CarbonylContact O-C 3.53Å; V165-Q177 VanDerWaalsContact O-CA 3.3Å; V165-Q177 WeakPolarHBondContact O-CA 3.4Å; V165-V178 HydrophobicContact CB-CG2 3.74Å; V165-V178 HydrophobicContact CG1-CG2 4.44Å; V165-V178 PolarHBondContact N-O 2.93Å; V165-V178 PolarHBondContact O-N 3.42Å; V165-I181 HydrophobicContact CG2-CD1 3.98Å; V165-F186 HydrophobicContact CG1-CD1 4.29Å; V165-F186 HydrophobicContact CG2-CB 4.42Å; V165-I199 HydrophobicContact CG1-CG2 3.59Å; V165-Q200 WeakPolarHBondContact CA-O 3.06Å; V165-V201 HydrophobicContact CG2-CG1 4.22Å; V165-V201 HydrophobicContact CG2-CG2 4.27Å |
| 166 | R | 98.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 74.9 Ų | 74.9 | 21% | 0.208 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.7 | 166.7 | 74.5 | 175.1 | -176.2 | -172 | -0.4 | 110.2 | F175 R176 Q177 I199 Q200 W215 | R166-F175 HydrophobicContact CB-CB 4.23Å; R166-F175 HydrophobicContact CB-CD1 3.93Å; R166-F175 HydrophobicContact CB-CG 4.36Å; R166-F175 HydrophobicContact CG-CD1 3.65Å; R166-F175 HydrophobicContact CG-CE1 4Å; R166-F175 HydrophobicContact CG-CG 4.22Å; R166-R176 CarbonylContact C-O 3.56Å; R166-R176 WeakPolarHBondContact CA-O 3.39Å; R166-Q177 HydrophobicContact CB-CG 3.92Å; R166-I199 CarbonylContact O-C 3.56Å; R166-I199 WeakPolarHBondContact O-CA 3.49Å; R166-Q200 HydrophobicContact CG-CB 3.96Å; R166-Q200 PolarHBondContact N-O 3.36Å; R166-Q200 PolarHBondContact O-N 3.44Å; R166-W215 HydrophobicContact CB-CE3 4.22Å; R166-W215 HydrophobicContact CB-CH2 3.79Å; R166-W215 HydrophobicContact CB-CZ2 4.28Å; R166-W215 HydrophobicContact CB-CZ3 3.75Å; R166-W215 HydrophobicContact CG-CD2 3.93Å; R166-W215 HydrophobicContact CG-CE3 3.62Å; R166-W215 HydrophobicContact CG-CH2 4.07Å; R166-W215 HydrophobicContact CG-CZ2 4.35Å; R166-W215 HydrophobicContact CG-CZ3 3.69Å |
| 167 | Y | 96.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 78.3 Ų | 78.3 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.3 | 178.6 | 66.7 | -81.6 | 0 | 0 | 0 | 112.5 | F175 R176 V178 L188 Y197 C198 | Y167-F175 WeakPolarHBondContact O-CA 3.39Å; Y167-R176 HydrophobicContact CD1-CB 4.33Å; Y167-R176 HydrophobicContact CE1-CB 3.83Å; Y167-R176 HydrophobicContact CE2-CB 4.13Å; Y167-R176 PolarHBondContact N-O 2.92Å; Y167-R176 PolarHBondContact O-N 3.33Å; Y167-V178 HydrophobicContact CE1-CG1 4.04Å; Y167-L188 HydrophobicContact CD2-CD1 4.05Å; Y167-L188 HydrophobicContact CD2-CD2 3.73Å; Y167-L188 HydrophobicContact CE1-CD1 4.22Å; Y167-L188 HydrophobicContact CE2-CD1 3.56Å; Y167-L188 HydrophobicContact CE2-CD2 4.06Å; Y167-L188 HydrophobicContact CE2-CG 4.49Å; Y167-L188 HydrophobicContact CG-CD2 4.2Å; Y167-Y197 HydrophobicContact CD2-CD1 4.23Å; Y167-Y197 HydrophobicContact CD2-CE1 4.38Å; Y167-C198 CarbonylContact C-O 3.55Å; Y167-C198 VanDerWaalsContact CA-O 3.27Å; Y167-C198 WeakPolarHBondContact CA-O 3.06Å |
| 168 | R | 95.4 | Very high | 95.5 | Very high | 91 Ų | 91 | 73.1 Ų | 73.1 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.7 | 168.1 | 67.3 | -179.6 | -179.8 | 146.8 | -5.3 | 110.5 | A172 H174 F175 Y197 C198 | R168-A172 HydrophobicContact CB-CB 4.36Å; R168-A172 PolarHBondContact NH1-O 3.12Å; R168-H174 WeakPolarHBondContact CB-O 3.28Å; R168-F175 HydrophobicContact CB-CD1 4.06Å; R168-F175 HydrophobicContact CB-CE1 4.34Å; R168-F175 HydrophobicContact CB-CG 4.33Å; R168-F175 HydrophobicContact CG-CD1 3.94Å; R168-F175 HydrophobicContact CG-CD2 4.46Å; R168-F175 HydrophobicContact CG-CE1 3.73Å; R168-F175 HydrophobicContact CG-CE2 4.27Å; R168-F175 HydrophobicContact CG-CG 4.31Å; R168-F175 HydrophobicContact CG-CZ 3.91Å; R168-Y197 CarbonylContact O-C 3.55Å; R168-Y197 WeakPolarHBondContact O-CA 3.31Å; R168-C198 HydrophobicContact CG-CB 4.13Å; R168-C198 PolarHBondContact N-O 3.5Å; R168-C198 PolarHBondContact O-N 3.14Å |
| 169 | R | 92.9 | Very high | 95.6 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 50% | 0.502 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 148.7 | 170.1 | -166.1 | 173.8 | 71.8 | -161.9 | 2.4 | 109.3 | G171 A172 Y197 | R169-G171 PolarHBondContact O-N 3.16Å; R169-A172 VanDerWaalsContact O-CB 3.29Å; R169-A172 WeakPolarHBondContact O-CB 3.35Å; R169-A172 PolarHBondContact O-N 2.75Å; R169-Y197 HydrophobicContact CB-CD1 4.27Å; R169-Y197 HydrophobicContact CB-CE1 4Å; R169-Y197 HydrophobicContact CG-CE1 4.42Å |
| 170 | H | 90.3 | Very high | 95.7 | Very high | 154 Ų | 154 | 72 Ų | 72 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.3 | 170.3 | -170.2 | -97.7 | 0 | 0 | 0 | 110.5 | A172 K196 | H170-A172 VanDerWaalsContact C-N 3.33Å; H170-K196 HydrophobicContact CB-CB 4.11Å; H170-K196 PolarHBondContact N-O 3.35Å |
| 171 | G | 88.3 | Confident | 95.8 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 81% | 0.814 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -7.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R169 | R169-G171 PolarHBondContact O-N 3.16Š|
| 172 | A | 92.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 77.7 Ų | 77.7 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | trans | -81.7 | 141 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R168 R169 H170 | R168-A172 HydrophobicContact CB-CB 4.36Å; R168-A172 PolarHBondContact NH1-O 3.12Å; R169-A172 VanDerWaalsContact O-CB 3.29Å; R169-A172 WeakPolarHBondContact O-CB 3.35Å; R169-A172 PolarHBondContact O-N 2.75Å; H170-A172 VanDerWaalsContact C-N 3.33Å | ||
| 173 | S | 91.5 | Very high | 95.7 | Very high | 90 Ų | 90 | 78.8 Ų | 78.8 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -75.4 | -37.6 | 179.5 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 174 | H | 94.6 | Very high | 95.6 | Very high | 151 Ų | 151 | 81.5 Ų | 81.5 | 70% | 0.699 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -111.3 | 145.8 | -171.9 | -56.1 | -71.5 | 0 | 0 | 0 | 113.3 | R168 | R168-H174 WeakPolarHBondContact CB-O 3.28Š|
| 175 | F | 97.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 26% | 0.263 | 43% | 0.429 | S | S | . | . | trans | -82.7 | 136.8 | 168.4 | -78.8 | -89 | 0 | 0 | 0 | 110.9 | R166 Y167 R168 C198 | R166-F175 HydrophobicContact CB-CB 4.23Å; R166-F175 HydrophobicContact CB-CD1 3.93Å; R166-F175 HydrophobicContact CB-CG 4.36Å; R166-F175 HydrophobicContact CG-CD1 3.65Å; R166-F175 HydrophobicContact CG-CE1 4Å; R166-F175 HydrophobicContact CG-CG 4.22Å; Y167-F175 WeakPolarHBondContact O-CA 3.39Å; R168-F175 HydrophobicContact CB-CD1 4.06Å; R168-F175 HydrophobicContact CB-CE1 4.34Å; R168-F175 HydrophobicContact CB-CG 4.33Å; R168-F175 HydrophobicContact CG-CD1 3.94Å; R168-F175 HydrophobicContact CG-CD2 4.46Å; R168-F175 HydrophobicContact CG-CE1 3.73Å; R168-F175 HydrophobicContact CG-CE2 4.27Å; R168-F175 HydrophobicContact CG-CG 4.31Å; R168-F175 HydrophobicContact CG-CZ 3.91Å; F175-C198 HydrophobicContact CE1-CB 4.49Å | ||
| 176 | R | 96.8 | Very high | 95.5 | Very high | 175 Ų | 175 | 82.3 Ų | 82.3 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 150.5 | 161.3 | -64.3 | 178.5 | -176.9 | -106.7 | -1.1 | 108.6 | R166 Y167 | R166-R176 CarbonylContact C-O 3.56Å; R166-R176 WeakPolarHBondContact CA-O 3.39Å; Y167-R176 HydrophobicContact CD1-CB 4.33Å; Y167-R176 HydrophobicContact CE1-CB 3.83Å; Y167-R176 HydrophobicContact CE2-CB 4.13Å; Y167-R176 PolarHBondContact N-O 2.92Å; Y167-R176 PolarHBondContact O-N 3.33Å |
| 177 | Q | 97.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 82.7 Ų | 82.7 | 51% | 0.514 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.6 | 178.7 | -62 | -170.9 | 21.7 | 0 | 0 | 110.7 | V165 R166 | V165-Q177 CarbonylContact O-C 3.53Å; V165-Q177 VanDerWaalsContact O-CA 3.3Å; V165-Q177 WeakPolarHBondContact O-CA 3.4Å; R166-Q177 HydrophobicContact CB-CG 3.92Å |
| 178 | V | 97.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 26% | 0.261 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.1 | 174.8 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | R164 V165 Y167 I181 F186 | R164-V178 WeakPolarHBondContact CA-O 3.28Å; V165-V178 HydrophobicContact CB-CG2 3.74Å; V165-V178 HydrophobicContact CG1-CG2 4.44Å; V165-V178 PolarHBondContact N-O 2.93Å; V165-V178 PolarHBondContact O-N 3.42Å; Y167-V178 HydrophobicContact CE1-CG1 4.04Å; V178-I181 HydrophobicContact CG2-CD1 4.38Å; V178-F186 HydrophobicContact CB-CZ 4.5Å; V178-F186 HydrophobicContact CG1-CZ 4.44Å; V178-F186 HydrophobicContact CG2-CD2 4.4Å; V178-F186 HydrophobicContact CG2-CE1 4.02Å; V178-F186 HydrophobicContact CG2-CE2 3.9Å; V178-F186 HydrophobicContact CG2-CZ 3.7Å |
| 179 | G | 95.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 87 Ų | 87 | 44% | 0.443 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.4 | -177.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 180 | P | 96.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -66.1 | 149.4 | 5 | 28.4 | -35 | 0 | 0 | 0 | 113.5 | K162 Y163 | K162-P180 HydrophobicContact CB-CB 4.14Å; K162-P180 HydrophobicContact CD-CB 3.84Å; K162-P180 HydrophobicContact CG-CB 4.24Å; Y163-P180 CarbonylContact O-C 3.59Å; Y163-P180 WeakPolarHBondContact O-CA 3.5Å |
| 181 | I | 98 | Very high | 94.3 | Very high | 28 Ų | 28 | 79 Ų | 79 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.2 | 177.1 | -54.2 | 178.9 | 0 | 0 | 0 | 107 | W147 K162 Y163 V165 V178 A183 F186 | W147-I181 HydrophobicContact CH2-CD1 4.38Å; W147-I181 HydrophobicContact CH2-CG2 4.43Å; W147-I181 HydrophobicContact CZ2-CG2 4.42Å; K162-I181 CarbonylContact C-O 3.51Å; K162-I181 WeakPolarHBondContact CA-O 3.44Å; Y163-I181 WeakPolarHBondContact CD2-O 3.4Å; Y163-I181 PolarHBondContact N-O 3.33Å; Y163-I181 PolarHBondContact O-N 2.76Å; V165-I181 HydrophobicContact CG2-CD1 3.98Å; V178-I181 HydrophobicContact CG2-CD1 4.38Å; I181-A183 HydrophobicContact CG2-CB 4.18Å; I181-F186 HydrophobicContact CD1-CB 3.95Å; I181-F186 HydrophobicContact CD1-CD2 3.65Å; I181-F186 HydrophobicContact CD1-CE2 4.46Å; I181-F186 HydrophobicContact CD1-CG 3.97Å |
| 182 | E | 97 | Very high | 93.8 | Very high | 142 Ų | 142 | 81.8 Ų | 81.8 | 66% | 0.664 | 43% | 0.43 | S | S | * | . | trans | -91.4 | -13.6 | 179 | -65.9 | 177 | -157.9 | 0 | 0 | 112.7 | K162 L206 | K162-E182 HydrophobicContact CB-CG 4.44Å; E182-L206 HydrophobicContact CG-CD1 3.93Å | ||
| 183 | A | 97.1 | Very high | 93 | Very high | 47 Ų | 47 | 83.6 Ų | 83.6 | 39% | 0.388 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -83 | 162.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | W147 Y163 I181 T185 | W147-A183 WeakPolarHBondContact CZ2-O 3.26Å; Y163-A183 WeakPolarHBondContact CD2-O 3.37Å; I181-A183 HydrophobicContact CG2-CB 4.18Å; A183-T185 VanDerWaalsContact C-N 3.25Å; A183-T185 HydrophobicContact CB-CG2 4.22Å; A183-T185 PolarHBondContact O-N 3.42Å |
| 184 | T | 97.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 87.6 Ų | 87.6 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -91.5 | 19.4 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | W147 P149 Y163 | W147-T184 PolarHBondContact N-O 2.86Å; W147-T184 WeakPolarHBondContact O-CB 3.3Å; P149-T184 HydrophobicContact CG-CG2 4.45Å; Y163-T184 HydrophobicContact CE2-CG2 4.29Å |
| 185 | T | 97.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 81.8 Ų | 81.8 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.3 | -177.9 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | V145 A183 | V145-T185 CarbonylContact O-C 3.45Å; V145-T185 VanDerWaalsContact O-CA 3.26Å; V145-T185 WeakPolarHBondContact O-CA 3.3Å; V145-T185 PolarHBondContact O-OG1 3.29Å; A183-T185 VanDerWaalsContact C-N 3.25Å; A183-T185 HydrophobicContact CB-CG2 4.22Å; A183-T185 PolarHBondContact O-N 3.42Å |
| 186 | F | 97.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 86.7 Ų | 86.7 | 18% | 0.184 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136.1 | 175.5 | 171.1 | -108.1 | 0 | 0 | 0 | 110.4 | V145 W147 V165 V178 I181 L188 | V145-F186 HydrophobicContact CB-CB 4.44Å; V145-F186 WeakPolarHBondContact CB-O 3.4Å; V145-F186 HydrophobicContact CG2-CD1 4.23Å; V145-F186 PolarHBondContact N-O 2.79Å; V145-F186 PolarHBondContact O-N 3.01Å; W147-F186 HydrophobicContact CH2-CB 3.73Å; W147-F186 HydrophobicContact CZ3-CB 3.74Å; V165-F186 HydrophobicContact CG1-CD1 4.29Å; V165-F186 HydrophobicContact CG2-CB 4.42Å; V178-F186 HydrophobicContact CB-CZ 4.5Å; V178-F186 HydrophobicContact CG1-CZ 4.44Å; V178-F186 HydrophobicContact CG2-CD2 4.4Å; V178-F186 HydrophobicContact CG2-CE1 4.02Å; V178-F186 HydrophobicContact CG2-CE2 3.9Å; V178-F186 HydrophobicContact CG2-CZ 3.7Å; I181-F186 HydrophobicContact CD1-CB 3.95Å; I181-F186 HydrophobicContact CD1-CD2 3.65Å; I181-F186 HydrophobicContact CD1-CE2 4.46Å; I181-F186 HydrophobicContact CD1-CG 3.97Å; F186-L188 HydrophobicContact CE1-CB 3.88Å; F186-L188 HydrophobicContact CE1-CD1 4.34Å |
| 187 | T | 95.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.4 | 178.3 | -59 | 0 | 0 | 0 | 0 | 110.6 | Q142 | Q142-T187 HydrophobicContact CB-CG2 4Å; Q142-T187 HydrophobicContact CG-CG2 4.27Å |
| 188 | L | 93.9 | Very high | 91 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.7 | 173.6 | 179.5 | 64.6 | 0 | 0 | 0 | 110.1 | Q142 L143 Y167 F186 Y197 I199 | Q142-L188 WeakPolarHBondContact CA-O 3.1Å; L143-L188 HydrophobicContact CB-CB 4.35Å; L143-L188 PolarHBondContact N-O 3.05Å; L143-L188 PolarHBondContact O-N 2.83Å; Y167-L188 HydrophobicContact CD2-CD1 4.05Å; Y167-L188 HydrophobicContact CD2-CD2 3.73Å; Y167-L188 HydrophobicContact CE1-CD1 4.22Å; Y167-L188 HydrophobicContact CE2-CD1 3.56Å; Y167-L188 HydrophobicContact CE2-CD2 4.06Å; Y167-L188 HydrophobicContact CE2-CG 4.49Å; Y167-L188 HydrophobicContact CG-CD2 4.2Å; F186-L188 HydrophobicContact CE1-CB 3.88Å; F186-L188 HydrophobicContact CE1-CD1 4.34Å; L188-Y197 HydrophobicContact CD2-CD1 3.91Å; L188-Y197 HydrophobicContact CD2-CD2 4.45Å; L188-Y197 HydrophobicContact CD2-CE1 3.91Å; L188-Y197 HydrophobicContact CD2-CE2 4.45Å; L188-Y197 HydrophobicContact CD2-CG 4.2Å; L188-I199 HydrophobicContact CD2-CD1 4.19Å |
| 189 | R | 91.8 | Very high | 91 | Very high | 211 Ų | 211 | 74.5 Ų | 74.5 | 80% | 0.796 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.4 | 168.7 | -65.7 | -174.7 | -177.4 | -178.3 | 1 | 109.7 | ||
| 190 | T | 86.3 | Confident | 91.1 | Very high | 14 Ų | 14 | 73.5 Ų | 73.5 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 136.9 | -179.2 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | Q141 L143 K192 Y197 | Q141-T190 VanDerWaalsContact C-OG1 3.22Å; Q141-T190 WeakPolarHBondContact CA-OG1 3.36Å; Q141-T190 PolarHBondContact O-N 2.04Å; Q141-T190 PolarHBondContact O-OG1 3.41Å; L143-T190 HydrophobicContact CB-CG2 3.75Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 2.88Å; T190-K192 PolarHBondContact OG1-O 2.7Å; T190-Y197 HydrophobicContact CG2-CE2 3.76Å |
| 191 | T | 79.7 | Confident | 91.2 | Very high | 104 Ų | 104 | 69 Ų | 69 | 64% | 0.638 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -74.6 | -21.1 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 192 | K | 79.6 | Confident | 91.2 | Very high | 138 Ų | 138 | 67.8 Ų | 67.8 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -139.3 | 133.6 | -179.3 | -67.1 | -173.4 | 179 | -173 | 0 | 108.7 | T190 H194 A195 | T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 2.88Å; T190-K192 PolarHBondContact OG1-O 2.7Å; K192-H194 PolarHBondContact O-N 2.8Å; K192-A195 HydrophobicContact CB-CB 4.37Å; K192-A195 WeakPolarHBondContact O-CB 3.42Å; K192-A195 PolarHBondContact O-N 2.86Å |
| 193 | P | 74 | Confident | 91.3 | Very high | 73 Ų | 73 | 61 Ų | 61 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 140.5 | 167.5 | -23.4 | 33.5 | 0 | 0 | 0 | 110.1 | A195 | P193-A195 PolarHBondContact O-N 3.46Å; P193-A195 VanDerWaalsContact O-N 3.17Å |
| 194 | H | 75.1 | Confident | 91.4 | Very high | 175 Ų | 175 | 60.1 Ų | 60.1 | 81% | 0.81 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 12.8 | 176.9 | -45.7 | 88.9 | 0 | 0 | 0 | 116.4 | K192 K196 | K192-H194 PolarHBondContact O-N 2.8Å; H194-K196 PolarHBondContact O-N 2.85Å |
| 195 | A | 83.6 | Confident | 91.3 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | trans | -60.7 | 128.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K192 P193 Y197 | K192-A195 HydrophobicContact CB-CB 4.37Å; K192-A195 WeakPolarHBondContact O-CB 3.42Å; K192-A195 PolarHBondContact O-N 2.86Å; P193-A195 PolarHBondContact O-N 3.46Å; P193-A195 VanDerWaalsContact O-N 3.17Å; A195-Y197 HydrophobicContact CB-CD2 4.45Å; A195-Y197 HydrophobicContact CB-CE2 3.69Å; A195-Y197 WeakPolarHBondContact O-CD2 3.46Å; A195-Y197 WeakPolarHBondContact O-CE2 3.35Å | ||
| 196 | K | 89.1 | Confident | 91.3 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 71% | 0.713 | 28% | 0.283 | S | S | * | . | trans | -80.1 | 130.2 | 178.4 | -65.3 | -176.3 | 179.7 | -179.4 | 0 | 110.7 | H170 H194 | H170-K196 HydrophobicContact CB-CB 4.11Å; H170-K196 PolarHBondContact N-O 3.35Å; H194-K196 PolarHBondContact O-N 2.85Å | ||
| 197 | Y | 92.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.9 | 176.5 | -69.6 | -92.4 | 0 | 0 | 0 | 110.9 | L143 Y167 R168 R169 L188 T190 A195 | L143-Y197 HydrophobicContact CD2-CD2 3.89Å; L143-Y197 HydrophobicContact CD2-CG 4.3Å; Y167-Y197 HydrophobicContact CD2-CD1 4.23Å; Y167-Y197 HydrophobicContact CD2-CE1 4.38Å; R168-Y197 CarbonylContact O-C 3.55Å; R168-Y197 WeakPolarHBondContact O-CA 3.31Å; R169-Y197 HydrophobicContact CB-CD1 4.27Å; R169-Y197 HydrophobicContact CB-CE1 4Å; R169-Y197 HydrophobicContact CG-CE1 4.42Å; L188-Y197 HydrophobicContact CD2-CD1 3.91Å; L188-Y197 HydrophobicContact CD2-CD2 4.45Å; L188-Y197 HydrophobicContact CD2-CE1 3.91Å; L188-Y197 HydrophobicContact CD2-CE2 4.45Å; L188-Y197 HydrophobicContact CD2-CG 4.2Å; T190-Y197 HydrophobicContact CG2-CE2 3.76Å; A195-Y197 HydrophobicContact CB-CD2 4.45Å; A195-Y197 HydrophobicContact CB-CE2 3.69Å; A195-Y197 WeakPolarHBondContact O-CD2 3.46Å; A195-Y197 WeakPolarHBondContact O-CE2 3.35Å |
| 198 | C | 95.5 | Very high | 91.1 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.7 | 161.5 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | Y167 R168 F175 | Y167-C198 CarbonylContact C-O 3.55Å; Y167-C198 VanDerWaalsContact CA-O 3.27Å; Y167-C198 WeakPolarHBondContact CA-O 3.06Å; R168-C198 HydrophobicContact CG-CB 4.13Å; R168-C198 PolarHBondContact N-O 3.5Å; R168-C198 PolarHBondContact O-N 3.14Å; F175-C198 HydrophobicContact CE1-CB 4.49Å |
| 199 | I | 97.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.3 | -176.4 | -54 | -166 | 0 | 0 | 0 | 108.7 | L136 L143 V145 V165 R166 L188 P218 G219 | L136-I199 HydrophobicContact CD2-CB 4.14Å; L136-I199 HydrophobicContact CD2-CD1 3.89Å; L136-I199 HydrophobicContact CD2-CG1 4.29Å; L143-I199 HydrophobicContact CD2-CD1 3.72Å; V145-I199 HydrophobicContact CG1-CG2 3.97Å; V145-I199 HydrophobicContact CG2-CD1 3.7Å; V145-I199 HydrophobicContact CG2-CG2 4.27Å; V165-I199 HydrophobicContact CG1-CG2 3.59Å; R166-I199 CarbonylContact O-C 3.56Å; R166-I199 WeakPolarHBondContact O-CA 3.49Å; L188-I199 HydrophobicContact CD2-CD1 4.19Å; I199-P218 CarbonylContact O-C 3.54Å; I199-P218 WeakPolarHBondContact O-CA 3.22Å; I199-G219 PolarHBondContact O-N 3.29Å |
| 200 | Q | 98.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.4 | 176.1 | -65.1 | 172.3 | -73.2 | 0 | 0 | 109.5 | V165 R166 W215 S216 P218 | V165-Q200 WeakPolarHBondContact CA-O 3.06Å; R166-Q200 HydrophobicContact CG-CB 3.96Å; R166-Q200 PolarHBondContact N-O 3.36Å; R166-Q200 PolarHBondContact O-N 3.44Å; Q200-W215 HydrophobicContact CB-CB 4.15Å; Q200-W215 HydrophobicContact CB-CE3 4.28Å; Q200-S216 VanDerWaalsContact CG-O 3.31Å; Q200-S216 WeakPolarHBondContact CG-O 3.27Å; Q200-S216 PolarHBondContact NE2-O 3.08Å; Q200-P218 HydrophobicContact CG-CG 4.39Å |
| 201 | V | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.2 | -177 | -165 | 0 | 0 | 0 | 0 | 109 | P131 V134 W147 Y163 R164 V165 S216 | P131-V201 HydrophobicContact CB-CB 4.23Å; P131-V201 HydrophobicContact CB-CG1 4.33Å; P131-V201 HydrophobicContact CG-CB 4.03Å; P131-V201 HydrophobicContact CG-CG1 3.86Å; V134-V201 HydrophobicContact CG1-CG2 3.96Å; V134-V201 HydrophobicContact CG2-CB 4.41Å; V134-V201 HydrophobicContact CG2-CG2 3.95Å; W147-V201 HydrophobicContact CD2-CG1 3.95Å; W147-V201 HydrophobicContact CD2-CG2 4.1Å; W147-V201 HydrophobicContact CE3-CG1 4.43Å; W147-V201 HydrophobicContact CE3-CG2 3.95Å; W147-V201 HydrophobicContact CG-CG1 4.21Å; W147-V201 HydrophobicContact CG-CG2 4.38Å; W147-V201 HydrophobicContact CZ2-CG1 4.25Å; Y163-V201 HydrophobicContact CD1-CG1 4.14Å; Y163-V201 HydrophobicContact CG-CG1 4.39Å; R164-V201 CarbonylContact O-C 3.58Å; R164-V201 WeakPolarHBondContact O-CA 3.26Å; V165-V201 HydrophobicContact CG2-CG1 4.22Å; V165-V201 HydrophobicContact CG2-CG2 4.27Å; V201-S216 PolarHBondContact N-OG 3.34Å; V201-S216 WeakPolarHBondContact O-CB 3.5Å; V201-S216 PolarHBondContact O-N 3.46Å; V201-S216 PolarHBondContact O-OG 3.42Å |
| 202 | S | 98.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.4 | 173.6 | 166.2 | 0 | 0 | 0 | 0 | 108.1 | Y163 R164 S213 | Y163-S202 CarbonylContact C-O 3.55Å; Y163-S202 VanDerWaalsContact CA-O 3.25Å; Y163-S202 WeakPolarHBondContact CA-O 3.15Å; R164-S202 PolarHBondContact N-O 2.76Å; R164-S202 PolarHBondContact O-N 2.84Å; S202-S213 WeakPolarHBondContact CA-OG 3.44Å; S202-S213 PolarHBondContact OG-O 2.76Å; S202-S213 PolarHBondContact OG-OG 3.34Å |
| 203 | A | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 152.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P128 P131 L161 K162 Y163 P212 S213 | P128-A203 HydrophobicContact CB-CB 4.27Å; P131-A203 HydrophobicContact CG-CB 3.93Å; L161-A203 HydrophobicContact CD1-CB 4.18Å; K162-A203 CarbonylContact O-C 3.5Å; Y163-A203 HydrophobicContact CD1-CB 4Å; Y163-A203 HydrophobicContact CE1-CB 3.88Å; A203-P212 CarbonylContact O-C 3.55Å; A203-P212 WeakPolarHBondContact O-CA 2.92Å; A203-S213 PolarHBondContact N-OG 3.48Å; A203-S213 WeakPolarHBondContact O-CB 3.26Å; A203-S213 PolarHBondContact O-N 2.91Å; A203-S213 PolarHBondContact O-OG 3.11Å |
| 204 | Q | 97.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.8 | 169.7 | -172 | 180 | -6.7 | 0 | 0 | 108.1 | L161 K162 D208 P212 | L161-Q204 CarbonylContact C-O 3.5Å; L161-Q204 VanDerWaalsContact CA-O 3.29Å; L161-Q204 WeakPolarHBondContact CA-O 3.47Å; L161-Q204 WeakPolarHBondContact CD2-O 3.28Å; K162-Q204 HydrophobicContact CG-CB 4.25Å; K162-Q204 PolarHBondContact N-O 2.97Å; K162-Q204 PolarHBondContact O-N 2.81Å; Q204-D208 PolarHBondContact NE2-OD1 2.96Å; Q204-P212 HydrophobicContact CB-CB 4.31Å; Q204-P212 HydrophobicContact CB-CG 4.49Å; Q204-P212 HydrophobicContact CG-CB 4.47Å; Q204-P212 HydrophobicContact CG-CG 4.21Å |
| 205 | D | 96.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 138.4 | 169.6 | -176.7 | 84.4 | 0 | 0 | 0 | 111.1 | I126 K162 T207 D208 | I126-D205 HydrophobicContact CG2-CB 4.04Å; K162-D205 WeakPolarHBondContact CE-O 3.21Å; D205-T207 PolarHBondContact O-N 2.94Å; D205-T207 WeakPolarHBondContact OD2-CA 2.97Å; D205-T207 VanDerWaalsContact OD2-CB 3.28Å; D205-T207 WeakPolarHBondContact OD2-CB 3.46Å; D205-T207 PolarHBondContact OD2-N 2.96Å; D205-T207 PolarHBondContact OD2-OG1 2.8Å; D205-D208 PolarHBondContact O-N 2.91Å |
| 206 | L | 96.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.1 | -176.6 | -177.8 | 65 | 0 | 0 | 0 | 112 | S160 K162 E182 D208 | S160-L206 WeakPolarHBondContact O-CB 3.09Å; S160-L206 PolarHBondContact O-N 3.17Å; K162-L206 HydrophobicContact CB-CD1 4.13Å; K162-L206 HydrophobicContact CD-CD1 4.23Å; K162-L206 PolarHBondContact NZ-O 3.19Å; E182-L206 HydrophobicContact CG-CD1 3.93Å; L206-D208 PolarHBondContact O-N 2.75Å |
| 207 | T | 93.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4.1 | -177.2 | 74.6 | 0 | 0 | 0 | 0 | 114 | D205 Y209 | D205-T207 PolarHBondContact O-N 2.94Å; D205-T207 WeakPolarHBondContact OD2-CA 2.97Å; D205-T207 VanDerWaalsContact OD2-CB 3.28Å; D205-T207 WeakPolarHBondContact OD2-CB 3.46Å; D205-T207 PolarHBondContact OD2-N 2.96Å; D205-T207 PolarHBondContact OD2-OG1 2.8Å; T207-Y209 PolarHBondContact O-N 3.25Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.48Å |
| 208 | D | 94.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | trans | 64.1 | 9.9 | -174.7 | -71 | -55.8 | 0 | 0 | 0 | 115.2 | K162 Q204 D205 L206 | K162-D208 WeakPolarHBondContact CE-OD1 3.39Å; K162-D208 IonicContact NZ-OD1 3.99Å; K162-D208 PolarHBondContact NZ-OD1 3.29Å; K162-D208 IonicContact NZ-OD2 3.19Å; K162-D208 PolarHBondContact NZ-OD2 3.01Å; Q204-D208 PolarHBondContact NE2-OD1 2.96Å; D205-D208 PolarHBondContact O-N 2.91Å; L206-D208 PolarHBondContact O-N 2.75Å | ||
| 209 | Y | 93.9 | Very high | 97.1 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 45% | 0.451 | 25% | 0.252 | S | S | . | . | trans | -64.2 | 140.4 | 171.3 | -73.2 | -36.1 | 0 | 0 | 0 | 112.2 | E123 T207 | E123-Y209 HydrophobicContact CB-CD1 4.4Å; E123-Y209 HydrophobicContact CB-CD2 4.11Å; E123-Y209 HydrophobicContact CB-CG 4.05Å; E123-Y209 HydrophobicContact CG-CD2 4.2Å; E123-Y209 HydrophobicContact CG-CE2 4.41Å; E123-Y209 WeakPolarHBondContact O-CB 3.44Å; T207-Y209 PolarHBondContact O-N 3.25Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.48Å | ||
| 210 | G | 94.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 70.8 | -132.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | E123 I126 | E123-G210 PolarHBondContact O-N 3.39Å; E123-G210 VanDerWaalsContact O-N 3.11Å; I126-G210 CarbonylContact O-C 3.5Å; I126-G210 WeakPolarHBondContact O-CA 3.41Å |
| 211 | K | 96.9 | Very high | 96.5 | Very high | 141 Ų | 141 | 57.3 Ų | 57.3 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | trans | -136.7 | 153.1 | -174.2 | -65.7 | -176.7 | -176.6 | 178.5 | 0 | 111.5 | I126 K127 | I126-K211 PolarHBondContact O-N 3.13Å; K127-K211 WeakPolarHBondContact CA-O 2.96Å; K127-K211 HydrophobicContact CB-CB 4.48Å; K127-K211 HydrophobicContact CG-CB 4.23Å | ||
| 212 | P | 98 | Very high | 95.8 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 150.8 | 170.3 | -18.4 | 29.2 | 0 | 0 | 0 | 112.7 | K127 A203 Q204 | K127-P212 WeakPolarHBondContact CG-O 3.41Å; K127-P212 PolarHBondContact NZ-O 3.31Å; A203-P212 CarbonylContact O-C 3.55Å; A203-P212 WeakPolarHBondContact O-CA 2.92Å; Q204-P212 HydrophobicContact CB-CB 4.31Å; Q204-P212 HydrophobicContact CB-CG 4.49Å; Q204-P212 HydrophobicContact CG-CB 4.47Å; Q204-P212 HydrophobicContact CG-CG 4.21Å |
| 213 | S | 98.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 163.1 | 166.2 | 80.8 | 0 | 0 | 0 | 0 | 110.5 | P128 D129 S202 A203 | P128-S213 WeakPolarHBondContact O-CA 3.3Å; P128-S213 WeakPolarHBondContact O-CB 3.34Å; D129-S213 VanDerWaalsContact O-CB 3.3Å; D129-S213 WeakPolarHBondContact O-CB 3.45Å; S202-S213 WeakPolarHBondContact CA-OG 3.44Å; S202-S213 PolarHBondContact OG-O 2.76Å; S202-S213 PolarHBondContact OG-OG 3.34Å; A203-S213 PolarHBondContact N-OG 3.48Å; A203-S213 WeakPolarHBondContact O-CB 3.26Å; A203-S213 PolarHBondContact O-N 2.91Å; A203-S213 PolarHBondContact O-OG 3.11Å |
| 214 | D | 98.5 | Very high | 92.5 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 166.7 | 163.1 | -54.9 | -31.6 | 0 | 0 | 0 | 109.6 | K127 P130 | K127-D214 IonicContact NZ-OD1 2.6Å; K127-D214 PolarHBondContact NZ-OD1 2.86Å; P130-D214 WeakPolarHBondContact CB-O 3.34Å; P130-D214 HydrophobicContact CG-CB 4.18Å; P130-D214 WeakPolarHBondContact CG-O 3.36Å |
| 215 | W | 98.5 | Very high | 90 | Very high | 60 Ų | 60 | 81.9 Ų | 81.9 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 138 | 176.4 | -64.1 | 98.4 | 0 | 0 | 0 | 110.1 | R164 R166 Q200 | R164-W215 HydrophobicContact CB-CH2 4.04Å; R164-W215 HydrophobicContact CB-CZ3 4.33Å; R164-W215 WeakPolarHBondContact O-CZ3 3.19Å; R166-W215 HydrophobicContact CB-CE3 4.22Å; R166-W215 HydrophobicContact CB-CH2 3.79Å; R166-W215 HydrophobicContact CB-CZ2 4.28Å; R166-W215 HydrophobicContact CB-CZ3 3.75Å; R166-W215 HydrophobicContact CG-CD2 3.93Å; R166-W215 HydrophobicContact CG-CE3 3.62Å; R166-W215 HydrophobicContact CG-CH2 4.07Å; R166-W215 HydrophobicContact CG-CZ2 4.35Å; R166-W215 HydrophobicContact CG-CZ3 3.69Å; Q200-W215 HydrophobicContact CB-CB 4.15Å; Q200-W215 HydrophobicContact CB-CE3 4.28Å |
| 216 | S | 98.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 3% | 0.028 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 166.5 | 174.3 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | P131 V134 Q200 V201 | P131-S216 VanDerWaalsContact O-CB 3.32Å; P131-S216 WeakPolarHBondContact O-CB 3.26Å; V134-S216 WeakPolarHBondContact CG2-OG 3.36Å; Q200-S216 VanDerWaalsContact CG-O 3.31Å; Q200-S216 WeakPolarHBondContact CG-O 3.27Å; Q200-S216 PolarHBondContact NE2-O 3.08Å; V201-S216 PolarHBondContact N-OG 3.34Å; V201-S216 WeakPolarHBondContact O-CB 3.5Å; V201-S216 PolarHBondContact O-N 3.46Å; V201-S216 PolarHBondContact O-OG 3.42Å |
| 217 | L | 97.4 | Very high | 84.7 | Confident | 143 Ų | 143 | 97 Ų | 97 | 75% | 0.749 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 152.5 | 162 | -64.1 | 177.4 | 0 | 0 | 0 | 110.4 | G219 | L217-G219 PolarHBondContact O-N 3.01Š|
| 218 | P | 96.8 | Very high | 82.6 | Confident | 65 Ų | 65 | 102 Ų | 102 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 135.2 | 174.7 | -26.5 | 35.6 | 0 | 0 | 0 | 111.8 | I199 Q200 | I199-P218 CarbonylContact O-C 3.54Å; I199-P218 WeakPolarHBondContact O-CA 3.22Å; Q200-P218 HydrophobicContact CG-CG 4.39Å |
| 219 | G | 95.3 | Very high | 82 | Confident | 14 Ų | 14 | 102.4 Ų | 102.4 | 14% | 0.144 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V134 I199 L217 | V134-G219 CarbonylContact O-C 3.51Å; V134-G219 VanDerWaalsContact O-CA 3.23Å; V134-G219 WeakPolarHBondContact O-CA 3.24Å; I199-G219 PolarHBondContact O-N 3.29Å; L217-G219 PolarHBondContact O-N 3.01Å |
| 220 | Q | 94.4 | Very high | 81.4 | Confident | 146 Ų | 146 | 101.7 Ų | 101.7 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.2 | -178.6 | -59.9 | -174.5 | 13.1 | 0 | 0 | 110.2 | V134 R135 L136 E222 | V134-Q220 PolarHBondContact O-N 3.04Å; R135-Q220 CarbonylContact C-O 3.54Å; R135-Q220 WeakPolarHBondContact CA-O 3.24Å; L136-Q220 PolarHBondContact N-O 2.8Å; Q220-E222 PolarHBondContact O-N 3.33Å |
| 221 | A | 89.7 | Confident | 80.7 | Confident | 81 Ų | 81 | 105.8 Ų | 105.8 | 67% | 0.669 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R223 | A221-R223 PolarHBondContact O-N 3.32Å |
| 222 | E | 83.6 | Confident | 79.7 | Confident | 68 Ų | 68 | 103.8 Ų | 103.8 | 32% | 0.318 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 125.9 | 173.2 | -158.2 | 173.6 | -126.6 | 0 | 0 | 108.8 | R135 L136 R137 Q220 T224 | R135-E222 IonicContact NH1-OE1 3.51Å; L136-E222 PolarHBondContact O-N 2.83Å; R137-E222 VanDerWaalsContact CD-OE2 3.31Å; R137-E222 WeakPolarHBondContact CD-OE2 3.5Å; R137-E222 HydrophobicContact CG-CB 4.18Å; R137-E222 VanDerWaalsContact CG-OE2 3.29Å; R137-E222 WeakPolarHBondContact CG-OE2 3.48Å; R137-E222 IonicContact CZ-OE1 3.65Å; R137-E222 IonicContact CZ-OE2 3.55Å; R137-E222 VanDerWaalsContact NE-CD 3.35Å; R137-E222 IonicContact NE-OE1 2.74Å; R137-E222 PolarHBondContact NE-OE1 2.83Å; R137-E222 IonicContact NE-OE2 2.73Å; R137-E222 PolarHBondContact NE-OE2 3.26Å; R137-E222 IonicContact NH2-OE1 2.82Å; R137-E222 PolarHBondContact NH2-OE1 3.37Å; R137-E222 IonicContact NH2-OE2 2.79Å; R137-E222 PolarHBondContact NH2-OE2 3.15Å; Q220-E222 PolarHBondContact O-N 3.33Å; E222-T224 PolarHBondContact O-N 3.27Å |
| 223 | R | 69.1 | Low | 78.6 | Confident | 234 Ų | 234 | 108 Ų | 108 | 88% | 0.883 | 57% | 0.572 | S | S | * | * | trans | -70.8 | 113.2 | 173.6 | -62.1 | -174.9 | -166.4 | -178.9 | 4.6 | 107 | A221 | A221-R223 PolarHBondContact O-N 3.32Š| ||
| 224 | T | 58.1 | Low | 77.2 | Confident | 125 Ų | 125 | 114.9 Ų | 114.9 | 77% | 0.767 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.2 | 165.7 | -15.9 | 0 | 0 | 0 | 0 | 106.9 | E222 Q226 | E222-T224 PolarHBondContact O-N 3.27Å; T224-Q226 PolarHBondContact O-N 3.12Å; T224-Q226 VanDerWaalsContact O-N 3.09Å |
| 225 | P | 45.4 | Very low | 75.7 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 78% | 0.779 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.5 | 169.2 | 2.5 | 0.7 | 0 | 0 | 0 | 107.8 | K227 | P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.17Å |
| 226 | Q | 41.9 | Very low | 74 | Confident | 189 Ų | 189 | 120.9 Ų | 120.9 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.1 | 163.3 | -86.6 | 170.7 | -38 | 0 | 0 | 106.3 | T224 | T224-Q226 PolarHBondContact O-N 3.12Å; T224-Q226 VanDerWaalsContact O-N 3.09Å |
| 227 | K | 40.3 | Very low | 71.9 | Confident | 193 Ų | 193 | 130.7 Ų | 130.7 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.7 | 169.2 | -168.4 | 177.1 | -178.9 | -177.2 | 0 | 107 | P225 | P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.17Å |
| 228 | P | 50.8 | Low | 69.6 | Low | 190 Ų | 190 | 129.5 Ų | 129.5 | 100% | 1.234 | 69% | 0.693 | S | S | * | * | trans | -61.5 | 0 | 178.8 | 25.9 | -33.5 | 0 | 0 | 0 | 111.9 |
Retrieved 228 of 228 residues in 86.2 ms
(Link to these results)