| 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 | 46.6 | Very low | 51.4 | Low | 247 Ų | 247 | 138.3 Ų | 138.3 | 100% | 1.217 | 85% | 0.85 | S | S | * | * | 0 | 103.8 | 0 | -74.6 | 156.2 | -179.7 | 0 | 0 | 106.5 | |||||
| 2 | A | 40.7 | Very low | 50.9 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 3 | A | 44.8 | Very low | 50.8 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 136.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 4 | A | 48.4 | Very low | 50.7 | Low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 5 | M | 55.2 | Low | 51 | Low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 84% | 0.836 | S | S | * | * | trans | -90 | 110.6 | 169.6 | 53.1 | -168.6 | 179.2 | 0 | 0 | 107.9 | V7 | M5-V7 PolarHBondContact O-N 3.09Š| ||
| 6 | D | 56.6 | Low | 51 | Low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -66.4 | 118.4 | 171.3 | -70.8 | -69.3 | 0 | 0 | 0 | 109.1 | D8 | D6-D8 PolarHBondContact O-N 3.09Š| ||
| 7 | V | 56.4 | Low | 51.7 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 82% | 0.824 | S | S | * | * | trans | -84.6 | 110.4 | 174 | 168.9 | 0 | 0 | 0 | 0 | 108 | M5 T9 | M5-V7 PolarHBondContact O-N 3.09Å; V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | D | 53.8 | Low | 52.7 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -55.1 | 113 | 168.3 | -81.3 | -55.2 | 0 | 0 | 0 | 110.2 | D6 | D6-D8 PolarHBondContact O-N 3.09Š| ||
| 9 | T | 60.7 | Low | 53.7 | Low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | trans | -89.8 | 117.7 | 171.2 | -60.4 | 0 | 0 | 0 | 0 | 108.2 | V7 S11 | V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.09Å; T9-S11 PolarHBondContact O-N 3.49Å; T9-S11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | P | 50.7 | Low | 55 | Low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -78.4 | 103.6 | 172.4 | 31.1 | -29.1 | 0 | 0 | 0 | 108.5 | ||||
| 11 | S | 51.3 | Low | 56.3 | Low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -86.8 | 134.2 | 166.8 | -159.6 | 0 | 0 | 0 | 0 | 109.4 | T9 | T9-S11 PolarHBondContact O-N 3.49Å; T9-S11 VanDerWaalsContact O-N 3.09Å | ||
| 12 | G | 45.7 | Very low | 58.2 | Low | 57 Ų | 57 | 133.4 Ų | 133.4 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | trans | 107.3 | 101 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 13 | T | 49.2 | Very low | 60.5 | Low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 50.8 | 100 | 130.7 | 53.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 14 | N | 49.8 | Very low | 62.6 | Low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | -157.6 | 126.5 | 111.8 | -115.4 | -14.6 | 0 | 0 | 0 | 108.3 | G16 | N14-G16 PolarHBondContact O-N 2.91Š| |||
| 15 | S | 55.6 | Low | 64.7 | Low | 128 Ų | 128 | 141.5 Ų | 141.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 80.6 | 170.3 | -54.4 | 0 | 0 | 0 | 0 | 108 | A17 | S15-A17 PolarHBondContact O-N 2.69Š| ||
| 16 | G | 51.3 | Low | 66.5 | Low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -60.5 | 103.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | N14 S18 | N14-G16 PolarHBondContact O-N 2.91Å; G16-S18 PolarHBondContact O-N 2.9Å | ||
| 17 | A | 62.6 | Low | 68.2 | Low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -52.5 | 100.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | S15 K19 | S15-A17 PolarHBondContact O-N 2.69Å; A17-K19 PolarHBondContact O-N 2.76Å | ||
| 18 | S | 68.4 | Low | 69.8 | Low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -53.8 | 110 | -174.1 | 52.8 | 0 | 0 | 0 | 0 | 107.1 | G16 K20 | G16-S18 PolarHBondContact O-N 2.9Å; S18-K20 PolarHBondContact O-N 3.1Å; S18-K20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | K | 72.8 | Confident | 71.6 | Confident | 178 Ų | 178 | 139.5 Ų | 139.5 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -52.5 | 122.4 | -178.5 | -155.7 | 176.7 | -172.9 | 179.8 | 0 | 107.3 | A17 R21 | A17-K19 PolarHBondContact O-N 2.76Å; K19-R21 PolarHBondContact O-N 3.08Å; K19-R21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | K | 78.5 | Confident | 73.1 | Confident | 172 Ų | 172 | 140.7 Ų | 140.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -56.3 | 122 | -175.8 | -71.6 | -166.3 | 178.7 | -175 | 0 | 107.7 | S18 F22 | S18-K20 PolarHBondContact O-N 3.1Å; S18-K20 VanDerWaalsContact O-N 3.1Å; K20-F22 PolarHBondContact O-N 3.06Å | ||
| 21 | R | 82.3 | Confident | 74.6 | Confident | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -59.7 | -22.7 | -172.9 | -73 | -179.6 | 85 | -171.8 | 7.1 | 113 | K19 | K19-R21 PolarHBondContact O-N 3.08Å; K19-R21 VanDerWaalsContact O-N 3.08Å |
| 22 | F | 87.3 | Confident | 75.7 | Confident | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -131 | 131 | 176.3 | -62 | -73.1 | 0 | 0 | 0 | 110.3 | K20 | K20-F22 PolarHBondContact O-N 3.06Š| ||
| 23 | E | 89.4 | Confident | 77.2 | Confident | 137 Ų | 137 | 148.3 Ų | 148.3 | 64% | 0.64 | 78% | 0.779 | S | S | * | * | trans | -128.1 | 125.6 | 174.9 | -70.7 | 178 | 175.8 | 0 | 0 | 108.5 | K25 | E23-K25 PolarHBondContact O-N 3.26Š| ||
| 24 | V | 89 | Confident | 77.5 | Confident | 126 Ų | 126 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -74.9 | 111.7 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | W27 | V24-W27 HydrophobicContact CG1-CB 4.21Š| ||
| 25 | K | 92.6 | Very high | 78.1 | Confident | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | -78.5 | -37 | 179.9 | -74 | -171.1 | 173.2 | -178 | 0 | 113.6 | E23 | E23-K25 PolarHBondContact O-N 3.26Š| ||
| 26 | K | 91.6 | Very high | 78.5 | Confident | 166 Ų | 166 | 144.7 Ų | 144.7 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -156.7 | 136.7 | -178.9 | -171.8 | 173.7 | -177.5 | 176.8 | 0 | 108.9 | N28 | K26-N28 WeakPolarHBondContact CE-OD1 3.46Š| ||
| 27 | W | 93.6 | Very high | 79.1 | Confident | 211 Ų | 211 | 143.1 Ų | 143.1 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -128.6 | 125.2 | 175.1 | -175.2 | 44.4 | 0 | 0 | 0 | 108.7 | V24 A29 | V24-W27 HydrophobicContact CG1-CB 4.21Å; W27-A29 HydrophobicContact CD2-CB 4.15Å; W27-A29 HydrophobicContact CE3-CB 4.39Å; W27-A29 HydrophobicContact CH2-CB 3.84Å; W27-A29 HydrophobicContact CZ2-CB 3.56Å; W27-A29 HydrophobicContact CZ3-CB 4.24Å | ||
| 28 | N | 90.4 | Very high | 79 | Confident | 127 Ų | 127 | 145.3 Ų | 145.3 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | -113.3 | 96.7 | 170 | -55 | -55.9 | 0 | 0 | 0 | 106.5 | K26 | K26-N28 WeakPolarHBondContact CE-OD1 3.46Š| ||
| 29 | A | 90.8 | Very high | 79 | Confident | 63 Ų | 63 | 143.3 Ų | 143.3 | 52% | 0.521 | 71% | 0.71 | S | S | . | * | trans | -78.7 | 141.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | W27 | W27-A29 HydrophobicContact CD2-CB 4.15Å; W27-A29 HydrophobicContact CE3-CB 4.39Å; W27-A29 HydrophobicContact CH2-CB 3.84Å; W27-A29 HydrophobicContact CZ2-CB 3.56Å; W27-A29 HydrophobicContact CZ3-CB 4.24Å | ||
| 30 | V | 92 | Very high | 79.5 | Confident | 141 Ų | 141 | 139.6 Ų | 139.6 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | trans | -115.2 | 129.6 | 166.4 | -178.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 31 | A | 83.4 | Confident | 80 | Confident | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -128.2 | 143.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | L | 73.9 | Confident | 80.4 | Confident | 177 Ų | 177 | 123.8 Ų | 123.8 | 93% | 0.927 | 64% | 0.64 | S | S | * | * | trans | -99.5 | 139.4 | 162.7 | -61.3 | 170.9 | 0 | 0 | 0 | 106.4 | ||||
| 33 | W | 76.1 | Confident | 80.6 | Confident | 202 Ų | 202 | 116.9 Ų | 116.9 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | trans | -115.8 | 142.4 | 173.1 | 68.4 | -85.2 | 0 | 0 | 0 | 108.7 | W35 | W33-W35 AromaticContact CZ3-CD1 3.97Å; W33-W35 HydrophobicContact CZ3-CD2 4.27Å; W33-W35 AromaticContact CZ3-CE2 3.73Å; W33-W35 HydrophobicContact CZ3-CG 4.41Å; W33-W35 HydrophobicContact CZ3-CZ2 4.14Å; W33-W35 AromaticContact CZ3-NE1 3.55Å | ||
| 34 | A | 55.7 | Low | 80.7 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -130.9 | 157.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | D36 | A34-D36 PolarHBondContact O-N 3.28Š| ||
| 35 | W | 63.1 | Low | 80.9 | Confident | 115 Ų | 115 | 107.9 Ų | 107.9 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | trans | -66 | 132.8 | 166 | -65.8 | 104.1 | 0 | 0 | 0 | 108.2 | W33 I37 W72 | W33-W35 AromaticContact CZ3-CD1 3.97Å; W33-W35 HydrophobicContact CZ3-CD2 4.27Å; W33-W35 AromaticContact CZ3-CE2 3.73Å; W33-W35 HydrophobicContact CZ3-CG 4.41Å; W33-W35 HydrophobicContact CZ3-CZ2 4.14Å; W33-W35 AromaticContact CZ3-NE1 3.55Å; W35-I37 HydrophobicContact CB-CG2 4.11Å; W35-I37 PolarHBondContact O-N 3.03Å; W35-W72 HydrophobicContact CB-CH2 3.43Å; W35-W72 VanDerWaalsContact CB-CH2 3.43Å; W35-W72 HydrophobicContact CB-CZ2 4.21Å; W35-W72 HydrophobicContact CB-CZ3 4.15Å; W35-W72 AromaticContact CD1-CH2 3.58Å; W35-W72 AromaticContact CD1-CZ2 3.46Å; W35-W72 VanDerWaalsContact CD1-CZ2 3.46Å; W35-W72 HydrophobicContact CD2-CH2 4.03Å; W35-W72 HydrophobicContact CD2-CZ2 4.4Å; W35-W72 HydrophobicContact CD2-CZ3 4.38Å; W35-W72 AromaticContact CG-CH2 3.38Å; W35-W72 HydrophobicContact CG-CH2 3.38Å; W35-W72 AromaticContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ3 4.12Å; W35-W72 AromaticContact NE1-CZ2 3.9Å | ||
| 36 | D | 63.1 | Low | 80.9 | Confident | 148 Ų | 148 | 108.3 Ų | 108.3 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | trans | -71.7 | 72.3 | 170.4 | -174.1 | 25.4 | 0 | 0 | 0 | 108.8 | A34 | A34-D36 PolarHBondContact O-N 3.28Š| ||
| 37 | I | 64.1 | Low | 80.9 | Confident | 30 Ų | 30 | 102.1 Ų | 102.1 | 15% | 0.154 | 54% | 0.541 | C | S | . | . | trans | -88.9 | 126.3 | 169.6 | 54 | 177.1 | 0 | 0 | 0 | 107.2 | W35 V39 I49 W72 A78 | W35-I37 HydrophobicContact CB-CG2 4.11Å; W35-I37 PolarHBondContact O-N 3.03Å; I37-V39 WeakPolarHBondContact CD1-O 3.33Å; I37-V39 PolarHBondContact O-N 3.19Å; I37-I49 HydrophobicContact CD1-CD1 4.45Å; I37-I49 HydrophobicContact CD1-CG2 4.02Å; I37-W72 HydrophobicContact CG2-CH2 3.45Å; I37-W72 VanDerWaalsContact CG2-CH2 3.45Å; I37-W72 HydrophobicContact CG2-CZ3 3.62Å; I37-A78 HydrophobicContact CG2-CB 4.5Å | ||
| 38 | V | 62.1 | Low | 80.7 | Confident | 143 Ų | 143 | 95.1 Ų | 95.1 | 87% | 0.867 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -59.9 | -19.6 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 39 | V | 68.3 | Low | 80.5 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | trans | -140.4 | 115.8 | -175.7 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | I37 N41 | I37-V39 WeakPolarHBondContact CD1-O 3.33Å; I37-V39 PolarHBondContact O-N 3.19Å; V39-N41 HydrophobicContact CG1-CB 4.05Å; V39-N41 VanDerWaalsContact CG1-O 3.32Å; V39-N41 WeakPolarHBondContact CG1-O 3.11Å; V39-N41 PolarHBondContact O-N 2.85Å | ||
| 40 | D | 81.5 | Confident | 80.3 | Confident | 99 Ų | 99 | 93.5 Ų | 93.5 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -72.6 | -4.2 | 174.3 | -64.8 | -41.2 | 0 | 0 | 0 | 113.6 | H48 I49 | D40-H48 PolarHBondContact O-CD2 3.05Å; D40-H48 VanDerWaalsContact O-CD2 3.27Å; D40-I49 WeakPolarHBondContact O-CB 3.43Å; D40-I49 WeakPolarHBondContact O-CG2 3.48Å; D40-I49 PolarHBondContact O-N 3.07Å |
| 41 | N | 89.6 | Confident | 80.1 | Confident | 76 Ų | 76 | 90.8 Ų | 90.8 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 137.9 | 179.4 | -60.3 | -31.4 | 0 | 0 | 0 | 110.2 | V39 A43 N47 | V39-N41 HydrophobicContact CG1-CB 4.05Å; V39-N41 VanDerWaalsContact CG1-O 3.32Å; V39-N41 WeakPolarHBondContact CG1-O 3.11Å; V39-N41 PolarHBondContact O-N 2.85Å; N41-A43 PolarHBondContact O-N 2.78Å; N41-A43 VanDerWaalsContact O-N 3.1Å; N41-N47 CarbonylContact C-O 3.33Å; N41-N47 WeakPolarHBondContact CA-O 3.31Å |
| 42 | C | 91.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | trans | -60.9 | 114.9 | 169.7 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | I44 C45 R46 N47 H80 | C42-I44 PolarHBondContact O-N 3.47Å; C42-C45 PolarHBondContact O-N 3.05Å; C42-C45 VanDerWaalsContact SG-SG 3.7Å; C42-R46 VanDerWaalsContact O-CA 3.22Å; C42-R46 WeakPolarHBondContact O-CA 3.36Å; C42-R46 PolarHBondContact O-N 3.35Å; C42-N47 PolarHBondContact N-O 3.28Å; C42-H80 WeakPolarHBondContact CB-ND1 3.41Å | ||
| 43 | A | 91.1 | Very high | 81.1 | Confident | 44 Ų | 44 | 80.7 Ų | 80.7 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N41 F79 L96 | N41-A43 PolarHBondContact O-N 2.78Å; N41-A43 VanDerWaalsContact O-N 3.1Å; A43-F79 HydrophobicContact CB-CE1 3.97Å; A43-L96 HydrophobicContact CB-CD2 3.93Å; A43-L96 HydrophobicContact CB-CG 4.39Å |
| 44 | I | 92.3 | Very high | 81.7 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -51.3 | 179.3 | -57.7 | 170.3 | 0 | 0 | 0 | 111 | C42 F79 C83 I84 W87 P95 | C42-I44 PolarHBondContact O-N 3.47Å; I44-F79 HydrophobicContact CD1-CB 4.33Å; I44-F79 HydrophobicContact CD1-CD1 3.92Å; I44-F79 HydrophobicContact CD1-CE1 4.48Å; I44-F79 HydrophobicContact CD1-CG 4.1Å; I44-F79 HydrophobicContact CG1-CD1 3.98Å; I44-F79 HydrophobicContact CG1-CE1 4.29Å; I44-C83 HydrophobicContact CB-CB 3.9Å; I44-C83 HydrophobicContact CD1-CB 3.87Å; I44-C83 HydrophobicContact CG1-CB 4.48Å; I44-C83 HydrophobicContact CG2-CB 3.9Å; I44-I84 HydrophobicContact CD1-CB 4.39Å; I44-I84 HydrophobicContact CD1-CD1 4.23Å; I44-W87 HydrophobicContact CD1-CB 4.22Å; I44-P95 HydrophobicContact CD1-CG 3.94Å; I44-P95 HydrophobicContact CG1-CG 3.97Å |
| 45 | C | 93 | Very high | 83.2 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -6.1 | -177.5 | 71.7 | 0 | 0 | 0 | 0 | 114 | C42 N47 I54 H80 C83 | C42-C45 PolarHBondContact O-N 3.05Å; C42-C45 VanDerWaalsContact SG-SG 3.7Å; C45-N47 PolarHBondContact O-N 2.99Å; C45-I54 HydrophobicContact CB-CD1 4.29Å; C45-I54 HydrophobicContact CB-CG1 4.17Å; C45-I54 WeakPolarHBondContact O-CD1 3.34Å; C45-H80 PolarHBondContact SG-ND1 3.26Å; C45-C83 VanDerWaalsContact SG-SG 3.65Å |
| 46 | R | 92.2 | Very high | 84.4 | Confident | 216 Ų | 216 | 69.7 Ų | 69.7 | 82% | 0.815 | 36% | 0.362 | S | S | * | . | trans | 57.7 | 13.3 | -177.9 | -54.9 | -174.4 | 178.5 | 127.3 | -0.8 | 115.7 | C42 | C42-R46 VanDerWaalsContact O-CA 3.22Å; C42-R46 WeakPolarHBondContact O-CA 3.36Å; C42-R46 PolarHBondContact O-N 3.35Å | ||
| 47 | N | 90.9 | Very high | 85.5 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -89.7 | 158.5 | 170.3 | -156.2 | 36.4 | 0 | 0 | 0 | 110.4 | N41 C42 C45 D51 L52 | N41-N47 CarbonylContact C-O 3.33Å; N41-N47 WeakPolarHBondContact CA-O 3.31Å; C42-N47 PolarHBondContact N-O 3.28Å; C45-N47 PolarHBondContact O-N 2.99Å; N47-D51 WeakPolarHBondContact ND2-CB 3.12Å; N47-L52 PolarHBondContact ND2-O 2.81Å |
| 48 | H | 89.3 | Confident | 86.6 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 30% | 0.296 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 138 | 176.7 | -174.7 | -116.6 | 0 | 0 | 0 | 110.9 | D40 M50 D51 H80 | D40-H48 PolarHBondContact O-CD2 3.05Å; D40-H48 VanDerWaalsContact O-CD2 3.27Å; H48-M50 VanDerWaalsContact CE1-CB 3.5Å; H48-M50 WeakPolarHBondContact CE1-CB 3.33Å; H48-M50 VanDerWaalsContact CE1-CG 3.49Å; H48-M50 WeakPolarHBondContact CE1-CG 3.1Å; H48-M50 PolarHBondContact O-N 2.94Å; H48-D51 HydrophobicContact CB-CB 4.19Å; H48-D51 IonicContact ND1-OD1 3.19Å; H48-D51 PolarHBondContact ND1-OD1 2.76Å; H48-D51 PolarHBondContact O-N 3.09Å; H48-H80 PolarHBondContact O-CE1 3.29Å; H48-H80 PolarHBondContact O-NE2 2.72Å |
| 49 | I | 88.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.046 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20.4 | -171.1 | -159.4 | 163.1 | 0 | 0 | 0 | 113.6 | I37 D40 V70 A78 H80 | I37-I49 HydrophobicContact CD1-CD1 4.45Å; I37-I49 HydrophobicContact CD1-CG2 4.02Å; D40-I49 WeakPolarHBondContact O-CB 3.43Å; D40-I49 WeakPolarHBondContact O-CG2 3.48Å; D40-I49 PolarHBondContact O-N 3.07Å; I49-V70 HydrophobicContact CD1-CG1 3.85Å; I49-V70 HydrophobicContact CG1-CG1 3.9Å; I49-V70 HydrophobicContact CG1-CG2 3.99Å; I49-V70 WeakPolarHBondContact O-CG2 3.48Å; I49-A78 HydrophobicContact CD1-CB 3.3Å; I49-H80 WeakPolarHBondContact CA-NE2 3.27Å; I49-H80 PolarHBondContact O-NE2 3.36Å |
| 50 | M | 85.3 | Confident | 87.7 | Confident | 148 Ų | 148 | 70.4 Ų | 70.4 | 73% | 0.729 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.8 | 176.4 | -52.3 | -65.4 | -83 | 0 | 0 | 112.4 | H48 | H48-M50 VanDerWaalsContact CE1-CB 3.5Å; H48-M50 WeakPolarHBondContact CE1-CB 3.33Å; H48-M50 VanDerWaalsContact CE1-CG 3.49Å; H48-M50 WeakPolarHBondContact CE1-CG 3.1Å; H48-M50 PolarHBondContact O-N 2.94Å |
| 51 | D | 87.5 | Confident | 87.1 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -96.7 | 175.8 | -179.8 | -65.3 | 3.3 | 0 | 0 | 0 | 110.2 | N47 H48 H80 | N47-D51 WeakPolarHBondContact ND2-CB 3.12Å; H48-D51 HydrophobicContact CB-CB 4.19Å; H48-D51 IonicContact ND1-OD1 3.19Å; H48-D51 PolarHBondContact ND1-OD1 2.76Å; H48-D51 PolarHBondContact O-N 3.09Å; D51-H80 PolarHBondContact O-NE2 2.82Å |
| 52 | L | 87.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | trans | -65.8 | 146.3 | 172.2 | -64.5 | 169.3 | 0 | 0 | 0 | 110.6 | N47 C56 Q57 Q60 S65 C68 | N47-L52 PolarHBondContact ND2-O 2.81Å; L52-C56 HydrophobicContact CB-CB 4.02Å; L52-C56 HydrophobicContact CD2-CB 4.06Å; L52-C56 HydrophobicContact CG-CB 4.49Å; L52-Q57 HydrophobicContact CB-CB 4.37Å; L52-Q60 HydrophobicContact CD1-CG 4.1Å; L52-S65 WeakPolarHBondContact CD2-O 3.46Å; L52-C68 HydrophobicContact CD2-CB 3.93Å | ||
| 53 | C | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -63.8 | 160.1 | 167.3 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | E55 C56 Q57 C68 H80 | C53-E55 PolarHBondContact O-N 3.2Å; C53-C56 PolarHBondContact O-N 3.2Å; C53-Q57 WeakPolarHBondContact O-CB 3.41Å; C53-Q57 PolarHBondContact O-N 2.9Å; C53-C68 PolarHBondContact N-SG 2.85Å; C53-C68 VanDerWaalsContact SG-SG 3.65Å; C53-H80 HydrophobicContact CB-CB 4.02Å | ||
| 54 | I | 90.1 | Very high | 82.9 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 48% | 0.477 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -51.1 | -33.3 | -177.8 | -70.3 | -178.1 | 0 | 0 | 0 | 112.6 | C45 A58 | C45-I54 HydrophobicContact CB-CD1 4.29Å; C45-I54 HydrophobicContact CB-CG1 4.17Å; C45-I54 WeakPolarHBondContact O-CD1 3.34Å; I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.06Å |
| 55 | E | 86.9 | Confident | 81.3 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -76 | -42.3 | -178.2 | -50.3 | -161.3 | 118.9 | 0 | 0 | 113.1 | C53 Q57 A58 N59 R86 | C53-E55 PolarHBondContact O-N 3.2Å; E55-Q57 VanDerWaalsContact C-N 3.28Å; E55-A58 PolarHBondContact O-N 3.5Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.98Å; E55-R86 IonicContact OE1-CZ 3.33Å; E55-R86 IonicContact OE1-NH1 2.64Å; E55-R86 PolarHBondContact OE1-NH1 3.22Å; E55-R86 IonicContact OE1-NH2 2.98Å; E55-R86 PolarHBondContact OE1-NH2 3.26Å; E55-R86 IonicContact OE2-CZ 3.05Å; E55-R86 IonicContact OE2-NH1 2.62Å; E55-R86 PolarHBondContact OE2-NH1 3.35Å; E55-R86 IonicContact OE2-NH2 3.16Å; E55-R86 PolarHBondContact OE2-NH2 3.07Å |
| 56 | C | 88.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.061 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.7 | -33 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | L52 C53 N59 Q60 C68 H82 | L52-C56 HydrophobicContact CB-CB 4.02Å; L52-C56 HydrophobicContact CD2-CB 4.06Å; L52-C56 HydrophobicContact CG-CB 4.49Å; C53-C56 PolarHBondContact O-N 3.2Å; C56-N59 CarbonylContact O-C 3.56Å; C56-N59 PolarHBondContact O-N 3.02Å; C56-Q60 PolarHBondContact O-N 2.78Å; C56-Q60 VanDerWaalsContact O-N 3.15Å; C56-C68 HydrophobicContact CB-CB 4.23Å; C56-H82 VanDerWaalsContact SG-CE1 3.54Å; C56-H82 PolarHBondContact SG-ND1 2.72Å |
| 57 | Q | 86.6 | Confident | 78.7 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 46% | 0.458 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 173.1 | -169.3 | 178.5 | 17.3 | 0 | 0 | 111.9 | L52 C53 E55 N59 | L52-Q57 HydrophobicContact CB-CB 4.37Å; C53-Q57 WeakPolarHBondContact O-CB 3.41Å; C53-Q57 PolarHBondContact O-N 2.9Å; E55-Q57 VanDerWaalsContact C-N 3.28Å; Q57-N59 VanDerWaalsContact C-N 3.31Å |
| 58 | A | 86 | Confident | 78.3 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 65% | 0.653 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.3 | -28.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I54 E55 | I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.06Å; E55-A58 PolarHBondContact O-N 3.5Å |
| 59 | N | 82.7 | Confident | 78.2 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 38.5 | -175 | -65.1 | -37 | 0 | 0 | 0 | 113.5 | E55 C56 Q57 A61 S62 | E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.98Å; C56-N59 CarbonylContact O-C 3.56Å; C56-N59 PolarHBondContact O-N 3.02Å; Q57-N59 VanDerWaalsContact C-N 3.31Å; N59-A61 PolarHBondContact O-N 3.2Å; N59-S62 PolarHBondContact O-N 2.98Å; N59-S62 PolarHBondContact O-OG 2.99Å |
| 60 | Q | 70.9 | Confident | 78.3 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.4 | 179.9 | -81.2 | 179.4 | 21 | 0 | 0 | 114.6 | L52 C56 S62 | L52-Q60 HydrophobicContact CD1-CG 4.1Å; C56-Q60 PolarHBondContact O-N 2.78Å; C56-Q60 VanDerWaalsContact O-N 3.15Å; Q60-S62 PolarHBondContact O-N 2.77Å |
| 61 | A | 69.7 | Low | 78.5 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 94% | 0.942 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N59 | N59-A61 PolarHBondContact O-N 3.2Š|
| 62 | S | 63.6 | Low | 78.6 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -98 | 136.1 | -178.1 | 65 | 0 | 0 | 0 | 0 | 111.9 | N59 Q60 T64 S65 | N59-S62 PolarHBondContact O-N 2.98Å; N59-S62 PolarHBondContact O-OG 2.99Å; Q60-S62 PolarHBondContact O-N 2.77Å; S62-T64 PolarHBondContact O-N 2.96Å; S62-T64 PolarHBondContact OG-OG1 3.42Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-OG 3.1Å |
| 63 | A | 58.6 | Low | 78.8 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 80% | 0.802 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -61.3 | -12.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S65 | A63-S65 VanDerWaalsContact C-N 3.35Š|
| 64 | T | 60.3 | Low | 78.8 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -85.6 | -5.7 | 175.6 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | S62 E66 | S62-T64 PolarHBondContact O-N 2.96Å; S62-T64 PolarHBondContact OG-OG1 3.42Å; T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.15Å |
| 65 | S | 59.8 | Low | 78.8 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -70.6 | -23 | 174.7 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | L52 S62 A63 E67 | L52-S65 WeakPolarHBondContact CD2-O 3.46Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-OG 3.1Å; A63-S65 VanDerWaalsContact C-N 3.35Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 2.85Å |
| 66 | E | 60.2 | Low | 78.8 | Confident | 180 Ų | 180 | 68.8 Ų | 68.8 | 84% | 0.841 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -75.1 | -11.4 | -179.6 | -55.2 | -162.7 | 160.3 | 0 | 0 | 113.7 | T64 | T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.15Å |
| 67 | E | 70.4 | Confident | 78.9 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -101.1 | 14.7 | -176.4 | -152.4 | -175.8 | 165.9 | 0 | 0 | 113.5 | S65 T69 | S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 2.85Å; E67-T69 PolarHBondContact O-N 3.24Å |
| 68 | C | 82.1 | Confident | 79.1 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | trans | -75.8 | 65.3 | 178.3 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | L52 C53 C56 | L52-C68 HydrophobicContact CD2-CB 3.93Å; C53-C68 PolarHBondContact N-SG 2.85Å; C53-C68 VanDerWaalsContact SG-SG 3.65Å; C56-C68 HydrophobicContact CB-CB 4.23Å | ||
| 69 | T | 87.3 | Confident | 79.4 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | trans | -77 | 161.4 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 112 | E67 F81 | E67-T69 PolarHBondContact O-N 3.24Å; T69-F81 WeakPolarHBondContact O-CB 3.43Å; T69-F81 PolarHBondContact O-N 2.76Å | ||
| 70 | V | 89.5 | Confident | 79.8 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.6 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | I49 A78 | I49-V70 HydrophobicContact CD1-CG1 3.85Å; I49-V70 HydrophobicContact CG1-CG1 3.9Å; I49-V70 HydrophobicContact CG1-CG2 3.99Å; I49-V70 WeakPolarHBondContact O-CG2 3.48Å; V70-A78 HydrophobicContact CG1-CB 4.06Å |
| 71 | A | 90.2 | Very high | 80.8 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A78 F79 F81 I84 F103 | A71-A78 WeakPolarHBondContact O-CA 3.26Å; A71-F79 PolarHBondContact N-O 3Å; A71-F79 PolarHBondContact O-N 2.99Å; A71-F81 HydrophobicContact CB-CB 4.42Å; A71-F81 HydrophobicContact CB-CD2 4.28Å; A71-I84 HydrophobicContact CB-CG2 3.84Å; A71-F103 HydrophobicContact CB-CD1 4.26Å; A71-F103 HydrophobicContact CB-CE1 4.03Å |
| 72 | W | 90.2 | Very high | 81.8 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | 177.6 | -67.9 | 82.4 | 0 | 0 | 0 | 110 | W35 I37 A78 Q104 Y106 | W35-W72 HydrophobicContact CB-CH2 3.43Å; W35-W72 VanDerWaalsContact CB-CH2 3.43Å; W35-W72 HydrophobicContact CB-CZ2 4.21Å; W35-W72 HydrophobicContact CB-CZ3 4.15Å; W35-W72 AromaticContact CD1-CH2 3.58Å; W35-W72 AromaticContact CD1-CZ2 3.46Å; W35-W72 VanDerWaalsContact CD1-CZ2 3.46Å; W35-W72 HydrophobicContact CD2-CH2 4.03Å; W35-W72 HydrophobicContact CD2-CZ2 4.4Å; W35-W72 HydrophobicContact CD2-CZ3 4.38Å; W35-W72 AromaticContact CG-CH2 3.38Å; W35-W72 HydrophobicContact CG-CH2 3.38Å; W35-W72 AromaticContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ3 4.12Å; W35-W72 AromaticContact NE1-CZ2 3.9Å; I37-W72 HydrophobicContact CG2-CH2 3.45Å; I37-W72 VanDerWaalsContact CG2-CH2 3.45Å; I37-W72 HydrophobicContact CG2-CZ3 3.62Å; W72-A78 HydrophobicContact CD2-CB 3.86Å; W72-A78 HydrophobicContact CE3-CB 3.79Å; W72-A78 HydrophobicContact CH2-CB 3.8Å; W72-A78 HydrophobicContact CZ2-CB 3.88Å; W72-A78 HydrophobicContact CZ3-CB 3.77Å; W72-Q104 HydrophobicContact CB-CB 4.03Å; W72-Q104 WeakPolarHBondContact O-CB 3.35Å; W72-Q104 PolarHBondContact O-N 2.97Å; W72-Y106 HydrophobicContact CB-CE2 4.12Å; W72-Y106 HydrophobicContact CG-CE2 4.19Å |
| 73 | G | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 153.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C75 N76 H77 E102 | G73-C75 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact O-N 3.07Å; G73-N76 WeakPolarHBondContact O-CA 3.46Å; G73-N76 PolarHBondContact O-N 3.27Å; G73-H77 PolarHBondContact N-O 3.24Å; G73-E102 VanDerWaalsContact CA-O 3.31Å; G73-E102 WeakPolarHBondContact CA-O 3.45Å |
| 74 | V | 91.3 | Very high | 84.9 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.6 | 169.6 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | N76 E102 | V74-N76 PolarHBondContact O-N 3.19Å; V74-E102 HydrophobicContact CG1-CB 4.03Å; V74-E102 HydrophobicContact CG2-CB 3.86Å; V74-E102 PolarHBondContact N-O 3.02Å |
| 75 | C | 90.3 | Very high | 86.4 | Confident | 25 Ų | 25 | 44 Ų | 44 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 8 | 172 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | G73 H77 D97 | G73-C75 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact O-N 3.07Å; C75-H77 PolarHBondContact O-N 3.04Å; C75-D97 WeakPolarHBondContact CB-OD2 3.43Å |
| 76 | N | 87.1 | Confident | 88 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 62.1 | 22.4 | -179.7 | -158.2 | 52.2 | 0 | 0 | 0 | 114.3 | G73 V74 | G73-N76 WeakPolarHBondContact O-CA 3.46Å; G73-N76 PolarHBondContact O-N 3.27Å; V74-N76 PolarHBondContact O-N 3.19Å |
| 77 | H | 88.9 | Confident | 89.6 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | trans | -98.7 | 139.9 | 170.9 | -68.8 | 123.5 | 0 | 0 | 0 | 110.6 | G73 C75 F79 C94 L96 D97 | G73-H77 PolarHBondContact N-O 3.24Å; C75-H77 PolarHBondContact O-N 3.04Å; H77-F79 HydrophobicContact CB-CE2 3.86Å; H77-F79 HydrophobicContact CB-CZ 4.09Å; H77-C94 PolarHBondContact ND1-SG 3.35Å; H77-L96 HydrophobicContact CB-CD1 4.18Å; H77-L96 WeakPolarHBondContact CD2-CD1 3.46Å; H77-D97 IonicContact CE1-OD2 3.41Å; H77-D97 PolarHBondContact CE1-OD2 3.33Å; H77-D97 IonicContact ND1-OD2 2.59Å; H77-D97 PolarHBondContact ND1-OD2 3.01Å | ||
| 78 | A | 90.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I37 I49 V70 A71 W72 | I37-A78 HydrophobicContact CG2-CB 4.5Å; I49-A78 HydrophobicContact CD1-CB 3.3Å; V70-A78 HydrophobicContact CG1-CB 4.06Å; A71-A78 WeakPolarHBondContact O-CA 3.26Å; W72-A78 HydrophobicContact CD2-CB 3.86Å; W72-A78 HydrophobicContact CE3-CB 3.79Å; W72-A78 HydrophobicContact CH2-CB 3.8Å; W72-A78 HydrophobicContact CZ2-CB 3.88Å; W72-A78 HydrophobicContact CZ3-CB 3.77Å |
| 79 | F | 92.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 164 | 178.3 | -54.9 | -76.3 | 0 | 0 | 0 | 109.6 | A43 I44 A71 H77 I84 P95 L96 W101 | A43-F79 HydrophobicContact CB-CE1 3.97Å; I44-F79 HydrophobicContact CD1-CB 4.33Å; I44-F79 HydrophobicContact CD1-CD1 3.92Å; I44-F79 HydrophobicContact CD1-CE1 4.48Å; I44-F79 HydrophobicContact CD1-CG 4.1Å; I44-F79 HydrophobicContact CG1-CD1 3.98Å; I44-F79 HydrophobicContact CG1-CE1 4.29Å; A71-F79 PolarHBondContact N-O 3Å; A71-F79 PolarHBondContact O-N 2.99Å; H77-F79 HydrophobicContact CB-CE2 3.86Å; H77-F79 HydrophobicContact CB-CZ 4.09Å; F79-I84 HydrophobicContact CB-CB 4.03Å; F79-I84 HydrophobicContact CD2-CB 4.39Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CD2-CG1 4.25Å; F79-I84 HydrophobicContact CE2-CD1 4.29Å; F79-I84 HydrophobicContact CG-CB 4.48Å; F79-P95 HydrophobicContact CE1-CB 4.48Å; F79-P95 HydrophobicContact CE1-CG 4.21Å; F79-P95 HydrophobicContact CE2-CG 4.36Å; F79-P95 HydrophobicContact CZ-CB 4.27Å; F79-P95 HydrophobicContact CZ-CG 3.93Å; F79-L96 HydrophobicContact CE1-CD1 4.09Å; F79-L96 HydrophobicContact CE1-CG 4.32Å; F79-L96 HydrophobicContact CZ-CD1 3.81Å; F79-L96 HydrophobicContact CZ-CG 3.98Å; F79-W101 AromaticContact CD2-CH2 3.67Å; F79-W101 HydrophobicContact CD2-CH2 3.67Å; F79-W101 AromaticContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CE2-CE3 4.41Å; F79-W101 AromaticContact CE2-CH2 3.99Å; F79-W101 HydrophobicContact CE2-CH2 3.99Å; F79-W101 AromaticContact CE2-CZ3 3.57Å; F79-W101 HydrophobicContact CE2-CZ3 3.57Å |
| 80 | H | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.1 | 165.5 | -58.5 | 122.4 | 0 | 0 | 0 | 110.7 | C42 C45 H48 I49 D51 C53 H82 C83 I84 | C42-H80 WeakPolarHBondContact CB-ND1 3.41Å; C45-H80 PolarHBondContact SG-ND1 3.26Å; H48-H80 PolarHBondContact O-CE1 3.29Å; H48-H80 PolarHBondContact O-NE2 2.72Å; I49-H80 WeakPolarHBondContact CA-NE2 3.27Å; I49-H80 PolarHBondContact O-NE2 3.36Å; D51-H80 PolarHBondContact O-NE2 2.82Å; C53-H80 HydrophobicContact CB-CB 4.02Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 3.28Å; H80-C83 HydrophobicContact CB-CB 4.12Å; H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 2.78Å; H80-I84 PolarHBondContact O-N 3.01Å |
| 81 | F | 91.6 | Very high | 91.9 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.4 | -44.6 | -180 | -178.7 | -104.3 | 0 | 0 | 0 | 112.2 | T69 A71 C83 I84 S85 F103 | T69-F81 WeakPolarHBondContact O-CB 3.43Å; T69-F81 PolarHBondContact O-N 2.76Å; A71-F81 HydrophobicContact CB-CB 4.42Å; A71-F81 HydrophobicContact CB-CD2 4.28Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 3.35Å; F81-I84 WeakPolarHBondContact O-CG2 3.15Å; F81-S85 WeakPolarHBondContact O-CB 3.47Å; F81-S85 PolarHBondContact O-N 3.49Å; F81-S85 PolarHBondContact O-OG 3.15Å; F81-F103 HydrophobicContact CD2-CE1 4.36Å; F81-F103 HydrophobicContact CE2-CE1 4.3Å; F81-F103 HydrophobicContact CE2-CZ 4.43Å |
| 82 | H | 91.1 | Very high | 92 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.4 | -64.9 | 143.7 | 0 | 0 | 0 | 113.3 | C56 H80 R86 | C56-H82 VanDerWaalsContact SG-CE1 3.54Å; C56-H82 PolarHBondContact SG-ND1 2.72Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 3.28Å; H82-R86 WeakPolarHBondContact O-CB 3.49Å; H82-R86 PolarHBondContact O-N 3.44Å; H82-R86 VanDerWaalsContact O-N 3.15Å |
| 83 | C | 93.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68 | -49.9 | -179 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | I44 C45 H80 F81 R86 W87 | I44-C83 HydrophobicContact CB-CB 3.9Å; I44-C83 HydrophobicContact CD1-CB 3.87Å; I44-C83 HydrophobicContact CG1-CB 4.48Å; I44-C83 HydrophobicContact CG2-CB 3.9Å; C45-C83 VanDerWaalsContact SG-SG 3.65Å; H80-C83 HydrophobicContact CB-CB 4.12Å; H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 2.78Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 3.35Å; C83-R86 PolarHBondContact O-N 3.05Å; C83-W87 PolarHBondContact O-N 3.33Å; C83-W87 VanDerWaalsContact O-N 3.14Å |
| 84 | I | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.1 | -40.6 | -179.9 | -167.1 | 59.1 | 0 | 0 | 0 | 111.4 | I44 A71 F79 H80 F81 R86 W87 L88 P95 W101 F103 | I44-I84 HydrophobicContact CD1-CB 4.39Å; I44-I84 HydrophobicContact CD1-CD1 4.23Å; A71-I84 HydrophobicContact CB-CG2 3.84Å; F79-I84 HydrophobicContact CB-CB 4.03Å; F79-I84 HydrophobicContact CD2-CB 4.39Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CD2-CG1 4.25Å; F79-I84 HydrophobicContact CE2-CD1 4.29Å; F79-I84 HydrophobicContact CG-CB 4.48Å; H80-I84 PolarHBondContact O-N 3.01Å; F81-I84 WeakPolarHBondContact O-CG2 3.15Å; I84-R86 PolarHBondContact O-N 3.05Å; I84-W87 HydrophobicContact CD1-CB 4.39Å; I84-W87 WeakPolarHBondContact O-CB 3.5Å; I84-W87 PolarHBondContact O-N 3.14Å; I84-L88 HydrophobicContact CD1-CD2 4.5Å; I84-L88 HydrophobicContact CD1-CG 4.37Å; I84-L88 HydrophobicContact CG1-CD1 4.12Å; I84-L88 HydrophobicContact CG1-CG 4.22Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.11Å; I84-L88 PolarHBondContact O-N 3.35Å; I84-P95 HydrophobicContact CD1-CG 4.29Å; I84-W101 HydrophobicContact CD1-CD2 4.02Å; I84-W101 HydrophobicContact CD1-CE3 4.14Å; I84-W101 HydrophobicContact CD1-CH2 4.48Å; I84-W101 HydrophobicContact CD1-CZ2 4.4Å; I84-W101 HydrophobicContact CD1-CZ3 4.37Å; I84-W101 HydrophobicContact CG1-CD2 3.94Å; I84-W101 HydrophobicContact CG1-CE3 4.38Å; I84-W101 HydrophobicContact CG1-CH2 4.11Å; I84-W101 HydrophobicContact CG1-CZ2 3.66Å; I84-W101 HydrophobicContact CG1-CZ3 4.47Å; I84-W101 HydrophobicContact CG2-CZ2 4.42Å; I84-F103 HydrophobicContact CG2-CE1 4.08Å; I84-F103 HydrophobicContact CG2-CZ 4.47Å |
| 85 | S | 91.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.9 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | F81 | F81-S85 WeakPolarHBondContact O-CB 3.47Å; F81-S85 PolarHBondContact O-N 3.49Å; F81-S85 PolarHBondContact O-OG 3.15Å |
| 86 | R | 93.2 | Very high | 92.5 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 173.3 | -179.8 | 177.3 | -63 | 175.2 | -2.9 | 112.5 | E55 H82 C83 I84 L88 K89 | E55-R86 IonicContact OE1-CZ 3.33Å; E55-R86 IonicContact OE1-NH1 2.64Å; E55-R86 PolarHBondContact OE1-NH1 3.22Å; E55-R86 IonicContact OE1-NH2 2.98Å; E55-R86 PolarHBondContact OE1-NH2 3.26Å; E55-R86 IonicContact OE2-CZ 3.05Å; E55-R86 IonicContact OE2-NH1 2.62Å; E55-R86 PolarHBondContact OE2-NH1 3.35Å; E55-R86 IonicContact OE2-NH2 3.16Å; E55-R86 PolarHBondContact OE2-NH2 3.07Å; H82-R86 WeakPolarHBondContact O-CB 3.49Å; H82-R86 PolarHBondContact O-N 3.44Å; H82-R86 VanDerWaalsContact O-N 3.15Å; C83-R86 PolarHBondContact O-N 3.05Å; I84-R86 PolarHBondContact O-N 3.05Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.62Å; R86-K89 WeakPolarHBondContact O-CB 3.38Å; R86-K89 PolarHBondContact O-N 2.59Å |
| 87 | W | 94.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 58.1 Ų | 58.1 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 179.2 | 178.3 | -93.5 | 0 | 0 | 0 | 111.3 | I44 C83 I84 K89 T90 R91 V93 P95 | I44-W87 HydrophobicContact CD1-CB 4.22Å; C83-W87 PolarHBondContact O-N 3.33Å; C83-W87 VanDerWaalsContact O-N 3.14Å; I84-W87 HydrophobicContact CD1-CB 4.39Å; I84-W87 WeakPolarHBondContact O-CB 3.5Å; I84-W87 PolarHBondContact O-N 3.14Å; W87-K89 PolarHBondContact O-N 3.2Å; W87-K89 VanDerWaalsContact O-N 3.15Å; W87-T90 PolarHBondContact O-N 3.3Å; W87-T90 PolarHBondContact O-OG1 3.49Å; W87-R91 HydrophobicContact CZ2-CB 4.49Å; W87-R91 PolarHBondContact O-N 2.7Å; W87-V93 VanDerWaalsContact CD1-O 3.29Å; W87-V93 PolarHBondContact NE1-O 3.02Å; W87-P95 HydrophobicContact CD2-CG 4.01Å; W87-P95 HydrophobicContact CG-CG 4.1Å; W87-P95 HydrophobicContact CZ2-CB 4.23Å; W87-P95 HydrophobicContact CZ2-CG 4.31Å |
| 88 | L | 94.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -23.6 | 179.6 | -63.5 | 173.4 | 0 | 0 | 0 | 114.1 | I84 R86 T90 R91 Q92 W101 F103 | I84-L88 HydrophobicContact CD1-CD2 4.5Å; I84-L88 HydrophobicContact CD1-CG 4.37Å; I84-L88 HydrophobicContact CG1-CD1 4.12Å; I84-L88 HydrophobicContact CG1-CG 4.22Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.11Å; I84-L88 PolarHBondContact O-N 3.35Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.62Å; L88-T90 PolarHBondContact O-N 2.64Å; L88-R91 WeakPolarHBondContact CA-O 3.22Å; L88-Q92 PolarHBondContact O-NE2 3.41Å; L88-W101 HydrophobicContact CD1-CG 4.09Å; L88-W101 HydrophobicContact CD2-CB 3.5Å; L88-W101 HydrophobicContact CD2-CG 3.64Å; L88-W101 HydrophobicContact CG-CG 4.41Å; L88-F103 HydrophobicContact CD1-CE2 3.89Å; L88-F103 HydrophobicContact CD1-CZ 3.75Å |
| 89 | K | 94.7 | Very high | 93 | Very high | 178 Ų | 178 | 68.8 Ų | 68.8 | 77% | 0.774 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.9 | 172.8 | -66.1 | -178.3 | -179.2 | -178.3 | 0 | 112.9 | R86 W87 | R86-K89 WeakPolarHBondContact O-CB 3.38Å; R86-K89 PolarHBondContact O-N 2.59Å; W87-K89 PolarHBondContact O-N 3.2Å; W87-K89 VanDerWaalsContact O-N 3.15Å |
| 90 | T | 93.2 | Very high | 93.1 | Very high | 114 Ų | 114 | 75.3 Ų | 75.3 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -32.6 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | W87 L88 | W87-T90 PolarHBondContact O-N 3.3Å; W87-T90 PolarHBondContact O-OG1 3.49Å; L88-T90 PolarHBondContact O-N 2.64Å |
| 91 | R | 93.4 | Very high | 93.2 | Very high | 150 Ų | 150 | 75.8 Ų | 75.8 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | trans | -143.4 | 116.1 | -175.3 | -65.5 | -173.5 | -177.6 | -167.4 | 1.1 | 110.4 | W87 L88 V93 | W87-R91 HydrophobicContact CZ2-CB 4.49Å; W87-R91 PolarHBondContact O-N 2.7Å; L88-R91 WeakPolarHBondContact CA-O 3.22Å; R91-V93 HydrophobicContact CB-CG2 4.09Å; R91-V93 PolarHBondContact O-N 3.05Å | ||
| 92 | Q | 93.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 77.5 Ų | 77.5 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -80.4 | 39.6 | 177.6 | -67.5 | -69.3 | -33.5 | 0 | 0 | 112.5 | L88 E100 W101 | L88-Q92 PolarHBondContact O-NE2 3.41Å; Q92-E100 WeakPolarHBondContact O-CA 3.43Å; Q92-W101 PolarHBondContact O-N 2.87Å |
| 93 | V | 95.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 79.4 Ų | 79.4 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -133.1 | 151.4 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | W87 R91 R99 | W87-V93 VanDerWaalsContact CD1-O 3.29Å; W87-V93 PolarHBondContact NE1-O 3.02Å; R91-V93 HydrophobicContact CB-CG2 4.09Å; R91-V93 PolarHBondContact O-N 3.05Å; V93-R99 CarbonylContact C-O 3.4Å; V93-R99 WeakPolarHBondContact CA-O 3.37Å; V93-R99 WeakPolarHBondContact CB-O 3.38Å |
| 94 | C | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | trans | -63.8 | 134 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | H77 L96 D97 N98 R99 W101 | H77-C94 PolarHBondContact ND1-SG 3.35Å; C94-L96 PolarHBondContact O-N 3.37Å; C94-D97 WeakPolarHBondContact CB-OD1 3.38Å; C94-N98 WeakPolarHBondContact O-CA 3.17Å; C94-N98 PolarHBondContact O-N 2.73Å; C94-R99 PolarHBondContact N-O 3Å; C94-W101 HydrophobicContact CB-CE3 4.04Å | ||
| 95 | P | 92.3 | Very high | 92 | Very high | 42 Ų | 42 | 91.8 Ų | 91.8 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.1 | 177.4 | -22.5 | 29.9 | 0 | 0 | 0 | 115.6 | I44 F79 I84 W87 | I44-P95 HydrophobicContact CD1-CG 3.94Å; I44-P95 HydrophobicContact CG1-CG 3.97Å; F79-P95 HydrophobicContact CE1-CB 4.48Å; F79-P95 HydrophobicContact CE1-CG 4.21Å; F79-P95 HydrophobicContact CE2-CG 4.36Å; F79-P95 HydrophobicContact CZ-CB 4.27Å; F79-P95 HydrophobicContact CZ-CG 3.93Å; I84-P95 HydrophobicContact CD1-CG 4.29Å; W87-P95 HydrophobicContact CD2-CG 4.01Å; W87-P95 HydrophobicContact CG-CG 4.1Å; W87-P95 HydrophobicContact CZ2-CB 4.23Å; W87-P95 HydrophobicContact CZ2-CG 4.31Å |
| 96 | L | 90.9 | Very high | 90.3 | Very high | 86 Ų | 86 | 96 Ų | 96 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -43.5 | -172.2 | -70.6 | 173 | 0 | 0 | 0 | 113.4 | A43 H77 F79 C94 | A43-L96 HydrophobicContact CB-CD2 3.93Å; A43-L96 HydrophobicContact CB-CG 4.39Å; H77-L96 HydrophobicContact CB-CD1 4.18Å; H77-L96 WeakPolarHBondContact CD2-CD1 3.46Å; F79-L96 HydrophobicContact CE1-CD1 4.09Å; F79-L96 HydrophobicContact CE1-CG 4.32Å; F79-L96 HydrophobicContact CZ-CD1 3.81Å; F79-L96 HydrophobicContact CZ-CG 3.98Å; C94-L96 PolarHBondContact O-N 3.37Å |
| 97 | D | 91.5 | Very high | 88 | Confident | 45 Ų | 45 | 93 Ų | 93 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -1.5 | -175.6 | 62.1 | 28.5 | 0 | 0 | 0 | 114.4 | C75 H77 C94 R99 | C75-D97 WeakPolarHBondContact CB-OD2 3.43Å; H77-D97 IonicContact CE1-OD2 3.41Å; H77-D97 PolarHBondContact CE1-OD2 3.33Å; H77-D97 IonicContact ND1-OD2 2.59Å; H77-D97 PolarHBondContact ND1-OD2 3.01Å; C94-D97 WeakPolarHBondContact CB-OD1 3.38Å; D97-R99 HydrophobicContact CB-CG 4.38Å; D97-R99 PolarHBondContact O-N 2.97Å; D97-R99 VanDerWaalsContact O-N 3.09Å; D97-R99 WeakPolarHBondContact OD1-CB 2.96Å; D97-R99 PolarHBondContact OD1-N 2.71Å |
| 98 | N | 92.4 | Very high | 85.2 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | trans | 57.3 | 18.7 | 179.9 | -162.7 | 62.8 | 0 | 0 | 0 | 114.7 | C94 | C94-N98 WeakPolarHBondContact O-CA 3.17Å; C94-N98 PolarHBondContact O-N 2.73Å | ||
| 99 | R | 92.8 | Very high | 84.7 | Confident | 166 Ų | 166 | 107 Ų | 107 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 157.8 | 171.1 | -62 | 177.9 | -177.1 | 177.4 | 2.5 | 110.2 | V93 C94 D97 W101 | V93-R99 CarbonylContact C-O 3.4Å; V93-R99 WeakPolarHBondContact CA-O 3.37Å; V93-R99 WeakPolarHBondContact CB-O 3.38Å; C94-R99 PolarHBondContact N-O 3Å; D97-R99 HydrophobicContact CB-CG 4.38Å; D97-R99 PolarHBondContact O-N 2.97Å; D97-R99 VanDerWaalsContact O-N 3.09Å; D97-R99 WeakPolarHBondContact OD1-CB 2.96Å; D97-R99 PolarHBondContact OD1-N 2.71Å; R99-W101 PolarHBondContact O-N 3.15Å |
| 100 | E | 94.7 | Very high | 84.2 | Confident | 138 Ų | 138 | 103.2 Ų | 103.2 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -55.5 | 132.9 | 173.4 | -171.2 | 169.1 | -168.8 | 0 | 0 | 110.3 | Q92 | Q92-E100 WeakPolarHBondContact O-CA 3.43Å |
| 101 | W | 94 | Very high | 83.7 | Confident | 11 Ų | 11 | 102.6 Ų | 102.6 | 4% | 0.042 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 122.6 | -177 | 175.8 | -89.4 | 0 | 0 | 0 | 110.7 | F79 I84 L88 Q92 C94 R99 F103 | F79-W101 AromaticContact CD2-CH2 3.67Å; F79-W101 HydrophobicContact CD2-CH2 3.67Å; F79-W101 AromaticContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CE2-CE3 4.41Å; F79-W101 AromaticContact CE2-CH2 3.99Å; F79-W101 HydrophobicContact CE2-CH2 3.99Å; F79-W101 AromaticContact CE2-CZ3 3.57Å; F79-W101 HydrophobicContact CE2-CZ3 3.57Å; I84-W101 HydrophobicContact CD1-CD2 4.02Å; I84-W101 HydrophobicContact CD1-CE3 4.14Å; I84-W101 HydrophobicContact CD1-CH2 4.48Å; I84-W101 HydrophobicContact CD1-CZ2 4.4Å; I84-W101 HydrophobicContact CD1-CZ3 4.37Å; I84-W101 HydrophobicContact CG1-CD2 3.94Å; I84-W101 HydrophobicContact CG1-CE3 4.38Å; I84-W101 HydrophobicContact CG1-CH2 4.11Å; I84-W101 HydrophobicContact CG1-CZ2 3.66Å; I84-W101 HydrophobicContact CG1-CZ3 4.47Å; I84-W101 HydrophobicContact CG2-CZ2 4.42Å; L88-W101 HydrophobicContact CD1-CG 4.09Å; L88-W101 HydrophobicContact CD2-CB 3.5Å; L88-W101 HydrophobicContact CD2-CG 3.64Å; L88-W101 HydrophobicContact CG-CG 4.41Å; Q92-W101 PolarHBondContact O-N 2.87Å; C94-W101 HydrophobicContact CB-CE3 4.04Å; R99-W101 PolarHBondContact O-N 3.15Å; W101-F103 HydrophobicContact CZ2-CD1 4.13Å; W101-F103 HydrophobicContact CZ2-CE1 4.19Å; W101-F103 AromaticContact NE1-CD1 3.58Å; W101-F103 AromaticContact NE1-CD2 3.77Å; W101-F103 AromaticContact NE1-CE1 3.48Å; W101-F103 AromaticContact NE1-CE2 3.66Å; W101-F103 AromaticContact NE1-CG 3.73Å; W101-F103 AromaticContact NE1-CZ 3.53Å |
| 102 | E | 93.5 | Very high | 83.1 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | trans | -125.6 | 130.4 | 169.1 | -62.9 | -177.9 | -178.8 | 0 | 0 | 109.7 | G73 V74 Q104 | G73-E102 VanDerWaalsContact CA-O 3.31Å; G73-E102 WeakPolarHBondContact CA-O 3.45Å; V74-E102 HydrophobicContact CG1-CB 4.03Å; V74-E102 HydrophobicContact CG2-CB 3.86Å; V74-E102 PolarHBondContact N-O 3.02Å; E102-Q104 PolarHBondContact O-N 3.28Å | ||
| 103 | F | 91.2 | Very high | 82.4 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 126.6 | 174.7 | -68.9 | -80.1 | 0 | 0 | 0 | 110.1 | A71 F81 I84 L88 W101 K105 | A71-F103 HydrophobicContact CB-CD1 4.26Å; A71-F103 HydrophobicContact CB-CE1 4.03Å; F81-F103 HydrophobicContact CD2-CE1 4.36Å; F81-F103 HydrophobicContact CE2-CE1 4.3Å; F81-F103 HydrophobicContact CE2-CZ 4.43Å; I84-F103 HydrophobicContact CG2-CE1 4.08Å; I84-F103 HydrophobicContact CG2-CZ 4.47Å; L88-F103 HydrophobicContact CD1-CE2 3.89Å; L88-F103 HydrophobicContact CD1-CZ 3.75Å; W101-F103 HydrophobicContact CZ2-CD1 4.13Å; W101-F103 HydrophobicContact CZ2-CE1 4.19Å; W101-F103 AromaticContact NE1-CD1 3.58Å; W101-F103 AromaticContact NE1-CD2 3.77Å; W101-F103 AromaticContact NE1-CE1 3.48Å; W101-F103 AromaticContact NE1-CE2 3.66Å; W101-F103 AromaticContact NE1-CG 3.73Å; W101-F103 AromaticContact NE1-CZ 3.53Å; F103-K105 PolarHBondContact O-N 3.01Å |
| 104 | Q | 87.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 33% | 0.327 | 50% | 0.503 | S | S | . | . | trans | -68.9 | 105.5 | 169.3 | -168.8 | 165.7 | 22.5 | 0 | 0 | 108.1 | W72 E102 Y106 | W72-Q104 HydrophobicContact CB-CB 4.03Å; W72-Q104 WeakPolarHBondContact O-CB 3.35Å; W72-Q104 PolarHBondContact O-N 2.97Å; E102-Q104 PolarHBondContact O-N 3.28Å; Q104-Y106 HydrophobicContact CB-CE2 4.29Å; Q104-Y106 HydrophobicContact CG-CD2 4.34Å; Q104-Y106 HydrophobicContact CG-CE2 3.86Å; Q104-Y106 PolarHBondContact O-N 3.42Å | ||
| 105 | K | 73.4 | Confident | 80.7 | Confident | 201 Ų | 201 | 110.6 Ų | 110.6 | 87% | 0.874 | 54% | 0.538 | S | S | * | . | trans | -69.9 | 100.1 | 176.3 | -66 | -176.5 | -178.9 | 178.3 | 0 | 108.7 | F103 | F103-K105 PolarHBondContact O-N 3.01Š| ||
| 106 | Y | 54.8 | Low | 79.8 | Confident | 123 Ų | 123 | 115.9 Ų | 115.9 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | trans | -77.6 | 122.7 | 158.5 | -73.7 | -84.4 | 0 | 0 | 0 | 107.4 | W72 Q104 | W72-Y106 HydrophobicContact CB-CE2 4.12Å; W72-Y106 HydrophobicContact CG-CE2 4.19Å; Q104-Y106 HydrophobicContact CB-CE2 4.29Å; Q104-Y106 HydrophobicContact CG-CD2 4.34Å; Q104-Y106 HydrophobicContact CG-CE2 3.86Å; Q104-Y106 PolarHBondContact O-N 3.42Å | ||
| 107 | G | 46.2 | Very low | 78.9 | Confident | 74 Ų | 74 | 118.4 Ų | 118.4 | 76% | 0.763 | 57% | 0.568 | S | S | * | * | trans | -58.7 | 142.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | H | 34 | Very low | 77.7 | Confident | 272 Ų | 272 | 125.1 Ų | 125.1 | 100% | 1.259 | 60% | 0.598 | S | S | * | * | trans | -37 | 0 | -179.4 | -78.2 | -49.6 | 0 | 0 | 0 | 115.4 |
Retrieved 108 of 108 residues in 172.5 ms
(Link to these results)