| 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 | 43.1 | Very low | 43.6 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 100% | 1.153 | 79% | 0.79 | S | S | * | * | 0 | 99.1 | 0 | -69.4 | 172.8 | 157.7 | 0 | 0 | 106.6 | |||||
| 2 | R | 41.5 | Very low | 43.4 | Very low | 252 Ų | 252 | 158.8 Ų | 158.8 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | 59.2 | 127.4 | 112.5 | -64.5 | -175.5 | 179.2 | -167.4 | 0.2 | 112 | |||||
| 3 | S | 37.3 | Very low | 43.1 | Very low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | -169 | 151 | 2.7 | 177 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | S | 46 | Very low | 43.3 | Very low | 81 Ų | 81 | 150.2 Ų | 150.2 | 57% | 0.566 | 80% | 0.796 | S | S | * | * | trans | -50.8 | 148.6 | 156.6 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 5 | M | 51.6 | Low | 43.2 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 109.6 | 143.4 | -84.8 | -60.2 | 138.6 | 0 | 0 | 109.9 | ||||
| 6 | L | 44.1 | Very low | 43 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -62.3 | 140.5 | 159.8 | -85.9 | 106.1 | 0 | 0 | 0 | 110.1 | ||||
| 7 | V | 47.6 | Very low | 43.1 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -126.3 | 120.7 | 150.6 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | F9 | V7-F9 HydrophobicContact CG1-CD2 4.24Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å | ||
| 8 | L | 40.5 | Very low | 43 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 128.9 | 177.8 | -153.6 | 89 | 0 | 0 | 0 | 108.7 | L10 | L8-L10 HydrophobicContact CD2-CG 4.31Š| ||
| 9 | F | 41 | Very low | 42.9 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -123.3 | 120.1 | 158.4 | -87.7 | -75.3 | 0 | 0 | 0 | 109.7 | V7 | V7-F9 HydrophobicContact CG1-CD2 4.24Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å | ||
| 10 | L | 45.2 | Very low | 43.1 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 126.8 | -178.6 | -76.6 | 160.2 | 0 | 0 | 0 | 111.5 | L8 | L8-L10 HydrophobicContact CD2-CG 4.31Š| ||
| 11 | V | 42.2 | Very low | 43 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | 7.8 | 125.2 | 143.4 | -171.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 12 | F | 40.3 | Very low | 43.1 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 95% | 0.952 | 77% | 0.773 | S | S | * | * | trans | -127.6 | 109.4 | 132.9 | -93.9 | -79.5 | 0 | 0 | 0 | 109.9 | ||||
| 13 | S | 40.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 125 | 168.7 | 41.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 14 | A | 46.2 | Very low | 42.9 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -129 | 98.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | A16 | A14-A16 PolarHBondContact O-N 3.43Š| ||
| 15 | Q | 41.1 | Very low | 42.1 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -72 | 115.9 | 167.3 | -70.7 | 174.3 | -7.2 | 0 | 0 | 107.8 | ||||
| 16 | A | 40.9 | Very low | 41.3 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -102.6 | 90.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A14 | A14-A16 PolarHBondContact O-N 3.43Š| ||
| 17 | V | 43.7 | Very low | 40.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -79.4 | 111.8 | 166.4 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 18 | A | 40.7 | Very low | 40.2 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | -112.2 | 139.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | P | 41.9 | Very low | 40 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -76.1 | 150.8 | -160.4 | 30.1 | -34.5 | 0 | 0 | 0 | 113.5 | I21 | P19-I21 PolarHBondContact O-N 3.24Š| ||
| 20 | I | 47.5 | Very low | 40 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 86% | 0.862 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 113.8 | 166.3 | -63 | 165.6 | 0 | 0 | 0 | 109 | ||||
| 21 | I | 40.6 | Very low | 39.7 | Very low | 148 Ų | 148 | 124 Ų | 124 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -120.4 | 98.3 | 153.6 | -65.9 | 174.1 | 0 | 0 | 0 | 105.4 | P19 L23 | P19-I21 PolarHBondContact O-N 3.24Å; I21-L23 PolarHBondContact O-N 3.06Å | ||
| 22 | G | 45.4 | Very low | 39.5 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 105.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 23 | L | 36.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -107 | 92.7 | 155.5 | -156.3 | 75.5 | 0 | 0 | 0 | 106.5 | I21 C25 | I21-L23 PolarHBondContact O-N 3.06Å; L23-C25 PolarHBondContact O-N 2.86Å | ||
| 24 | L | 37.4 | Very low | 39.8 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -53.8 | 93.9 | 156 | -83.2 | 132.5 | 0 | 0 | 0 | 107 | S26 | L24-S26 PolarHBondContact O-N 2.8Š| ||
| 25 | C | 30.5 | Very low | 40.2 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 69% | 0.689 | 75% | 0.749 | S | S | * | * | trans | -71.7 | 76.1 | 152.6 | -71.2 | 0 | 0 | 0 | 0 | 106 | L23 V27 | L23-C25 PolarHBondContact O-N 2.86Å; C25-V27 PolarHBondContact O-N 2.89Å | ||
| 26 | S | 32.9 | Very low | 41 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | trans | -58.8 | 88.3 | 155.5 | -65.7 | 0 | 0 | 0 | 0 | 106 | L24 T28 | L24-S26 PolarHBondContact O-N 2.8Å; S26-T28 PolarHBondContact O-N 2.8Å | ||
| 27 | V | 31.2 | Very low | 42.4 | Very low | 110 Ų | 110 | 121 Ų | 121 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | -66.4 | 90.2 | 154.7 | 176.3 | 0 | 0 | 0 | 0 | 103.8 | C25 T29 | C25-V27 PolarHBondContact O-N 2.89Å; V27-T29 HydrophobicContact CG1-CG2 3.69Å; V27-T29 PolarHBondContact O-N 2.9Å | ||
| 28 | T | 37.4 | Very low | 44.1 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -64.5 | 75.5 | 161.5 | 27.4 | 0 | 0 | 0 | 0 | 107.3 | S26 A30 | S26-T28 PolarHBondContact O-N 2.8Å; T28-A30 PolarHBondContact O-N 2.97Å | ||
| 29 | T | 37.6 | Very low | 46.1 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | trans | -75 | 66 | 152.8 | 40 | 0 | 0 | 0 | 0 | 107.6 | V27 Q31 | V27-T29 HydrophobicContact CG1-CG2 3.69Å; V27-T29 PolarHBondContact O-N 2.9Å; T29-Q31 PolarHBondContact O-N 3.3Å | ||
| 30 | A | 40.8 | Very low | 48.2 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -83.7 | 61.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | T28 | T28-A30 PolarHBondContact O-N 2.97Š| ||
| 31 | Q | 39.3 | Very low | 49.9 | Very low | 163 Ų | 163 | 108.2 Ų | 108.2 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | trans | -98.7 | 90.7 | 164.5 | -165 | 152.3 | -17.9 | 0 | 0 | 105.9 | T29 D33 | T29-Q31 PolarHBondContact O-N 3.3Å; Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | Q | 36.5 | Very low | 52 | Low | 174 Ų | 174 | 105.1 Ų | 105.1 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | trans | -41.6 | 112.3 | 171.1 | -151.6 | 138.8 | -25.6 | 0 | 0 | 108.8 | N34 | Q32-N34 PolarHBondContact O-N 3.08Š| ||
| 33 | D | 44.9 | Very low | 53.7 | Low | 157 Ų | 157 | 103.7 Ų | 103.7 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | trans | -65.7 | 82.3 | 174.9 | -126.7 | -15 | 0 | 0 | 0 | 107.4 | Q31 P35 | Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.08Å; D33-P35 WeakPolarHBondContact O-CD 3.47Å | ||
| 34 | N | 42.9 | Very low | 55.8 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | trans | -93.4 | 110.6 | 168.8 | -158.9 | 5.6 | 0 | 0 | 0 | 106.1 | Q32 T36 S37 | Q32-N34 PolarHBondContact O-N 3.08Å; N34-T36 PolarHBondContact O-N 3.33Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; N34-S37 PolarHBondContact O-N 2.98Å; N34-S37 PolarHBondContact O-OG 2.79Å | ||
| 35 | P | 54.6 | Low | 57.6 | Low | 130 Ų | 130 | 98.3 Ų | 98.3 | 84% | 0.844 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 2.9 | -173 | 24 | -33.1 | 0 | 0 | 0 | 114.4 | D33 | D33-P35 WeakPolarHBondContact O-CD 3.47Š|
| 36 | T | 56.8 | Low | 59.7 | Low | 111 Ų | 111 | 95 Ų | 95 | 68% | 0.681 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -0.8 | 179.6 | 39.9 | 0 | 0 | 0 | 0 | 114.5 | N34 I38 | N34-T36 PolarHBondContact O-N 3.33Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; T36-I38 PolarHBondContact O-N 3.06Å |
| 37 | S | 71.3 | Confident | 61.6 | Low | 75 Ų | 75 | 97.6 Ų | 97.6 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 116.6 | 178.7 | 67 | 0 | 0 | 0 | 0 | 111.4 | N34 | N34-S37 PolarHBondContact O-N 2.98Å; N34-S37 PolarHBondContact O-OG 2.79Å |
| 38 | I | 79.6 | Confident | 63.7 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 31% | 0.313 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 127.2 | 175 | -61.9 | 172.9 | 0 | 0 | 0 | 108.7 | T36 T40 N118 N123 | T36-I38 PolarHBondContact O-N 3.06Å; I38-T40 PolarHBondContact O-N 2.79Å; I38-N118 HydrophobicContact CG2-CB 4.02Å; I38-N123 WeakPolarHBondContact CD1-ND2 3.38Å |
| 39 | P | 82.8 | Confident | 65.4 | Low | 37 Ų | 37 | 101.7 Ų | 101.7 | 24% | 0.24 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 127.7 | -179.3 | 25.3 | -32.1 | 0 | 0 | 0 | 110.9 | L114 N118 | P39-L114 HydrophobicContact CG-CD1 3.78Å; P39-L114 HydrophobicContact CG-CD2 4.25Å; P39-N118 PolarHBondContact O-N 3.09Å |
| 40 | T | 85.9 | Confident | 66.9 | Low | 114 Ų | 114 | 103.5 Ų | 103.5 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | B | Isolated β-bridge | trans | -84.9 | 130.3 | 173 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | I38 | I38-T40 PolarHBondContact O-N 2.79Å |
| 41 | V | 83.6 | Confident | 68.3 | Low | 16 Ų | 16 | 100 Ų | 100 | 10% | 0.097 | 51% | 0.507 | C | S | . | . | trans | -123.7 | 137.8 | -175.3 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | P43 L45 F46 V117 N118 L165 | V41-P43 VanDerWaalsContact O-CD 3.32Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å; V41-L45 HydrophobicContact CG1-CD1 3.69Å; V41-F46 HydrophobicContact CB-CE2 4.35Å; V41-F46 HydrophobicContact CG1-CE2 3.81Å; V41-F46 HydrophobicContact CG1-CZ 4.37Å; V41-V117 HydrophobicContact CB-CG1 3.86Å; V41-V117 HydrophobicContact CG2-CG1 3.32Å; V41-N118 PolarHBondContact N-O 3.04Å; V41-L165 HydrophobicContact CG2-CD2 3.72Å | ||
| 42 | D | 83.8 | Confident | 70.1 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | trans | -58.7 | 120.1 | 175.9 | -180 | -1.1 | 0 | 0 | 0 | 110.4 | K44 L45 | D42-K44 PolarHBondContact O-N 3.29Å; D42-K44 VanDerWaalsContact O-N 3.1Å; D42-K44 WeakPolarHBondContact OD1-CB 3.38Å; D42-K44 WeakPolarHBondContact OD1-CG 3.29Å; D42-K44 PolarHBondContact OD1-N 3.34Å; D42-L45 HydrophobicContact CB-CD1 4.48Å; D42-L45 HydrophobicContact CB-CG 4.4Å; D42-L45 WeakPolarHBondContact O-CB 3.42Å; D42-L45 PolarHBondContact O-N 3.04Å | ||
| 43 | P | 82.1 | Confident | 72.1 | Confident | 37 Ų | 37 | 90.1 Ų | 90.1 | 24% | 0.24 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -53.3 | -30.2 | 177 | -23.5 | 30.7 | 0 | 0 | 0 | 113.8 | V41 L45 F46 I119 N120 | V41-P43 VanDerWaalsContact O-CD 3.32Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-L45 PolarHBondContact O-N 3.16Å; P43-L45 VanDerWaalsContact O-N 3.11Å; P43-F46 PolarHBondContact O-N 3.04Å; P43-I119 HydrophobicContact CB-CG2 4.3Å; P43-I119 HydrophobicContact CG-CG2 4.4Å; P43-N120 WeakPolarHBondContact CB-OD1 3.45Å; P43-N120 WeakPolarHBondContact CG-OD1 3.33Å |
| 44 | K | 80.3 | Confident | 74.1 | Confident | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -62.4 | -19.4 | 179.8 | -65.3 | 177.1 | 179.8 | 175.4 | 0 | 112.9 | D42 F46 N47 | D42-K44 PolarHBondContact O-N 3.29Å; D42-K44 VanDerWaalsContact O-N 3.1Å; D42-K44 WeakPolarHBondContact OD1-CB 3.38Å; D42-K44 WeakPolarHBondContact OD1-CG 3.29Å; D42-K44 PolarHBondContact OD1-N 3.34Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 2.89Å; K44-N47 PolarHBondContact O-N 3.49Å |
| 45 | L | 75.8 | Confident | 76.5 | Confident | 47 Ų | 47 | 87.7 Ų | 87.7 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -68.3 | -27.4 | 174.8 | -65.9 | 176.2 | 0 | 0 | 0 | 112.4 | V41 D42 P43 H51 | V41-L45 HydrophobicContact CG1-CD1 3.69Å; D42-L45 HydrophobicContact CB-CD1 4.48Å; D42-L45 HydrophobicContact CB-CG 4.4Å; D42-L45 WeakPolarHBondContact O-CB 3.42Å; D42-L45 PolarHBondContact O-N 3.04Å; P43-L45 PolarHBondContact O-N 3.16Å; P43-L45 VanDerWaalsContact O-N 3.11Å; L45-H51 PolarHBondContact O-CD2 3.16Å |
| 46 | F | 74.4 | Confident | 78.3 | Confident | 34 Ų | 34 | 82.2 Ų | 82.2 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -20.4 | 179.9 | -63.8 | -86 | 0 | 0 | 0 | 113.3 | V41 P43 K44 K48 F58 I119 W174 | V41-F46 HydrophobicContact CB-CE2 4.35Å; V41-F46 HydrophobicContact CG1-CE2 3.81Å; V41-F46 HydrophobicContact CG1-CZ 4.37Å; P43-F46 PolarHBondContact O-N 3.04Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 2.89Å; F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.39Å; F46-F58 HydrophobicContact CD1-CD2 4.17Å; F46-F58 HydrophobicContact CD1-CE2 4.44Å; F46-F58 HydrophobicContact CD1-CG 4.22Å; F46-F58 HydrophobicContact CE1-CB 4.39Å; F46-F58 AromaticContact CE1-CD1 3.53Å; F46-F58 HydrophobicContact CE1-CD1 3.53Å; F46-F58 AromaticContact CE1-CD2 3.75Å; F46-F58 HydrophobicContact CE1-CD2 3.75Å; F46-F58 AromaticContact CE1-CE1 3.55Å; F46-F58 HydrophobicContact CE1-CE1 3.55Å; F46-F58 AromaticContact CE1-CE2 3.8Å; F46-F58 HydrophobicContact CE1-CE2 3.8Å; F46-F58 AromaticContact CE1-CG 3.62Å; F46-F58 HydrophobicContact CE1-CG 3.62Å; F46-F58 AromaticContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CZ-CD1 4.05Å; F46-F58 AromaticContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CZ 4.38Å; F46-I119 HydrophobicContact CD1-CD1 4.35Å; F46-I119 HydrophobicContact CD2-CD1 3.98Å; F46-I119 HydrophobicContact CD2-CG1 4.31Å; F46-I119 HydrophobicContact CD2-CG2 4.25Å; F46-I119 HydrophobicContact CE1-CD1 3.78Å; F46-I119 HydrophobicContact CE2-CD1 3.36Å; F46-I119 HydrophobicContact CE2-CG1 3.63Å; F46-I119 HydrophobicContact CE2-CG2 4.37Å; F46-I119 HydrophobicContact CG-CD1 4.44Å; F46-I119 HydrophobicContact CZ-CD1 3.25Å; F46-I119 HydrophobicContact CZ-CG1 3.97Å; F46-W174 HydrophobicContact CD1-CH2 4.17Å; F46-W174 HydrophobicContact CD1-CZ2 4.27Å; F46-W174 AromaticContact CE1-CH2 3.62Å; F46-W174 HydrophobicContact CE1-CH2 3.62Å; F46-W174 AromaticContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE2-CZ2 4.49Å; F46-W174 HydrophobicContact CZ-CH2 4.16Å; F46-W174 AromaticContact CZ-CZ2 3.84Å; F46-W174 HydrophobicContact CZ-CZ2 3.84Å |
| 47 | N | 73.1 | Confident | 80 | Confident | 135 Ų | 135 | 80.1 Ų | 80.1 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -76.4 | -16.2 | 176.2 | -70.3 | -17.2 | 0 | 0 | 0 | 113 | K44 | K44-N47 PolarHBondContact O-N 3.49Š|
| 48 | K | 75.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -83.8 | 119.4 | -179.9 | -63.1 | -179.9 | -176 | 179.6 | 0 | 109.8 | F46 R50 H51 | F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.39Å; K48-R50 HydrophobicContact CB-CG 4.18Å; K48-R50 PolarHBondContact O-N 3.05Å; K48-H51 PolarHBondContact O-N 2.99Å |
| 49 | R | 71.9 | Confident | 81.4 | Confident | 226 Ų | 226 | 76.5 Ų | 76.5 | 85% | 0.853 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -48.1 | -34.2 | 178.4 | -67.9 | -173.3 | -177.9 | -177.8 | 0.9 | 114 | H51 L52 | R49-H51 PolarHBondContact O-N 3.3Å; R49-H51 VanDerWaalsContact O-N 3.16Å; R49-L52 PolarHBondContact O-N 2.87Å; R49-L52 VanDerWaalsContact O-N 3.16Å |
| 50 | R | 70.5 | Confident | 81.8 | Confident | 152 Ų | 152 | 77 Ų | 77 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -62.7 | -19.1 | -180 | 75.9 | -171.1 | -177.3 | -162.5 | 7.7 | 114.8 | K48 R163 | K48-R50 HydrophobicContact CB-CG 4.18Å; K48-R50 PolarHBondContact O-N 3.05Å; R50-R163 WeakPolarHBondContact O-CD 3.43Å; R50-R163 PolarHBondContact O-NE 3.18Å |
| 51 | H | 69.8 | Low | 81.9 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -101.8 | -3.6 | 179.9 | -61.5 | -60.6 | 0 | 0 | 0 | 112.7 | L45 K48 R49 W174 | L45-H51 PolarHBondContact O-CD2 3.16Å; K48-H51 PolarHBondContact O-N 2.99Å; R49-H51 PolarHBondContact O-N 3.3Å; R49-H51 VanDerWaalsContact O-N 3.16Å; H51-W174 HydrophobicContact CB-CD2 4.47Å; H51-W174 HydrophobicContact CB-CE3 4.47Å; H51-W174 HydrophobicContact CB-CH2 4.19Å; H51-W174 HydrophobicContact CB-CZ2 4.21Å; H51-W174 HydrophobicContact CB-CZ3 4.33Å; H51-W174 AromaticContact ND1-CD2 3.86Å; H51-W174 AromaticContact ND1-CG 3.83Å |
| 52 | L | 75.7 | Confident | 82 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 59% | 0.586 | 41% | 0.407 | S | S | * | . | trans | -83.7 | 124.5 | 174.5 | -62.6 | 173.9 | 0 | 0 | 0 | 109.4 | R49 | R49-L52 PolarHBondContact O-N 2.87Å; R49-L52 VanDerWaalsContact O-N 3.16Å | ||
| 53 | S | 80.3 | Confident | 82.1 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | trans | -112.2 | 129.5 | 171 | -59.3 | 0 | 0 | 0 | 0 | 108.5 | R55 V56 R163 | S53-R55 PolarHBondContact O-N 2.92Å; S53-V56 PolarHBondContact O-N 2.81Å; S53-V56 VanDerWaalsContact O-O 3.1Å; S53-R163 WeakPolarHBondContact OG-CB 3.15Å; S53-R163 PolarHBondContact OG-N 3.12Å; S53-R163 PolarHBondContact OG-O 2.93Å | ||
| 54 | P | 86.2 | Confident | 81.8 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 85% | 0.851 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.1 | -179 | -27.3 | 34.8 | 0 | 0 | 0 | 114.8 | ||
| 55 | R | 92.2 | Very high | 81 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.9 | -179 | -66.4 | -176.6 | 169.5 | -111.8 | 6.5 | 113.8 | S53 F128 F129 V162 I179 V181 | S53-R55 PolarHBondContact O-N 2.92Å; R55-F128 CarbonylContact O-C 3.44Å; R55-F128 WeakPolarHBondContact O-CA 3.29Å; R55-F129 HydrophobicContact CB-CB 4.22Å; R55-F129 HydrophobicContact CG-CB 4.43Å; R55-F129 PolarHBondContact NH1-O 3.33Å; R55-F129 VanDerWaalsContact NH1-O 3.12Å; R55-F129 PolarHBondContact O-N 2.78Å; R55-V162 HydrophobicContact CB-CG1 4.22Å; R55-I179 HydrophobicContact CB-CD1 3.97Å; R55-V181 PolarHBondContact NH1-O 2.92Å; R55-V181 VanDerWaalsContact NH2-CG2 3.35Å; R55-V181 PolarHBondContact NH2-O 3.37Å |
| 56 | V | 93.3 | Very high | 80.2 | Confident | 15 Ų | 15 | 86.6 Ų | 86.6 | 9% | 0.091 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.9 | 177.5 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | S53 F58 Y127 F128 V162 | S53-V56 PolarHBondContact O-N 2.81Å; S53-V56 VanDerWaalsContact O-O 3.1Å; V56-F58 HydrophobicContact CG1-CD2 4.48Å; V56-F58 HydrophobicContact CG1-CE2 4Å; V56-Y127 CarbonylContact C-O 3.56Å; V56-Y127 VanDerWaalsContact CA-O 3.29Å; V56-Y127 WeakPolarHBondContact CA-O 3.38Å; V56-F128 HydrophobicContact CB-CE1 4.48Å; V56-F128 HydrophobicContact CG1-CD1 4.2Å; V56-F128 HydrophobicContact CG1-CE1 3.83Å; V56-F128 HydrophobicContact CG1-CZ 4.41Å; V56-F128 HydrophobicContact CG2-CD1 3.72Å; V56-F128 HydrophobicContact CG2-CE1 3.82Å; V56-V162 HydrophobicContact CG2-CB 3.66Å; V56-V162 HydrophobicContact CG2-CG1 4.31Å; V56-V162 HydrophobicContact CG2-CG2 3.57Å |
| 57 | L | 92.1 | Very high | 79.1 | Confident | 66 Ų | 66 | 87 Ų | 87 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.8 | 179.1 | 177.8 | 66.8 | 0 | 0 | 0 | 110.2 | P63 W96 Y127 | L57-P63 HydrophobicContact CD2-CB 3.65Å; L57-P63 HydrophobicContact CD2-CG 3.96Å; L57-W96 HydrophobicContact CB-CH2 3.91Å; L57-W96 HydrophobicContact CB-CZ3 3.8Å; L57-Y127 PolarHBondContact N-O 2.97Å; L57-Y127 PolarHBondContact O-N 2.98Å |
| 58 | F | 91.1 | Very high | 77.9 | Confident | 34 Ų | 34 | 85.8 Ų | 85.8 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 108 | 170.2 | -71.2 | -101.3 | 0 | 0 | 0 | 109.3 | F46 V56 V117 I119 K124 K125 Q126 W174 | F46-F58 HydrophobicContact CD1-CD2 4.17Å; F46-F58 HydrophobicContact CD1-CE2 4.44Å; F46-F58 HydrophobicContact CD1-CG 4.22Å; F46-F58 HydrophobicContact CE1-CB 4.39Å; F46-F58 AromaticContact CE1-CD1 3.53Å; F46-F58 HydrophobicContact CE1-CD1 3.53Å; F46-F58 AromaticContact CE1-CD2 3.75Å; F46-F58 HydrophobicContact CE1-CD2 3.75Å; F46-F58 AromaticContact CE1-CE1 3.55Å; F46-F58 HydrophobicContact CE1-CE1 3.55Å; F46-F58 AromaticContact CE1-CE2 3.8Å; F46-F58 HydrophobicContact CE1-CE2 3.8Å; F46-F58 AromaticContact CE1-CG 3.62Å; F46-F58 HydrophobicContact CE1-CG 3.62Å; F46-F58 AromaticContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CZ-CD1 4.05Å; F46-F58 AromaticContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CZ 4.38Å; V56-F58 HydrophobicContact CG1-CD2 4.48Å; V56-F58 HydrophobicContact CG1-CE2 4Å; F58-V117 HydrophobicContact CE1-CG2 4.46Å; F58-I119 HydrophobicContact CD1-CD1 4.24Å; F58-K124 HydrophobicContact CB-CD 4.43Å; F58-K125 WeakPolarHBondContact CA-O 3.41Å; F58-Q126 HydrophobicContact CD1-CG 3.77Å; F58-Q126 HydrophobicContact CE1-CG 3.28Å; F58-Q126 HydrophobicContact CE2-CG 4.44Å; F58-Q126 HydrophobicContact CZ-CG 3.66Å; F58-Q126 VanDerWaalsContact CZ-OE1 3.24Å; F58-W174 HydrophobicContact CE1-CH2 4.44Å; F58-W174 AromaticContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CZ3 4.02Å; F58-W174 AromaticContact CZ-CH2 3.53Å; F58-W174 HydrophobicContact CZ-CH2 3.53Å; F58-W174 AromaticContact CZ-CZ3 3.83Å; F58-W174 HydrophobicContact CZ-CZ3 3.83Å |
| 59 | S | 90.5 | Very high | 76.4 | Confident | 27 Ų | 27 | 85.1 Ų | 85.1 | 19% | 0.189 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152 | -176.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | Q61 K125 | S59-Q61 WeakPolarHBondContact CB-O 3.42Å; S59-Q61 PolarHBondContact OG-N 2.96Å; S59-Q61 PolarHBondContact OG-O 3.3Å; S59-K125 PolarHBondContact N-O 2.85Å; S59-K125 VanDerWaalsContact N-O 3.08Å; S59-K125 PolarHBondContact O-N 2.94Å |
| 60 | A | 89.9 | Confident | 75.2 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -82.4 | -22.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V122 | A60-V122 HydrophobicContact CB-CG1 4.12Š|
| 61 | Q | 88.8 | Confident | 73.6 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -115.1 | 148 | 178.3 | -66.9 | 82.3 | 1.6 | 0 | 0 | 110.8 | S59 | S59-Q61 WeakPolarHBondContact CB-O 3.42Å; S59-Q61 PolarHBondContact OG-N 2.96Å; S59-Q61 PolarHBondContact OG-O 3.3Å |
| 62 | P | 85.9 | Confident | 72.2 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 136.2 | 174.6 | 26.2 | -32.9 | 0 | 0 | 0 | 110.6 | Y127 | P62-Y127 WeakPolarHBondContact CA-OH 3.29Å; P62-Y127 HydrophobicContact CB-CE1 3.97Å |
| 63 | P | 84.4 | Confident | 70.5 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 21% | 0.214 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 153.2 | 175.1 | 28.2 | -33.9 | 0 | 0 | 0 | 111.8 | L57 W96 Y127 | L57-P63 HydrophobicContact CD2-CB 3.65Å; L57-P63 HydrophobicContact CD2-CG 3.96Å; P63-W96 HydrophobicContact CB-CD2 4.24Å; P63-W96 HydrophobicContact CB-CG 4.24Å; P63-W96 HydrophobicContact CG-CB 3.7Å; P63-W96 HydrophobicContact CG-CD2 3.44Å; P63-W96 VanDerWaalsContact CG-CD2 3.44Å; P63-W96 HydrophobicContact CG-CE3 4Å; P63-W96 HydrophobicContact CG-CG 3.32Å; P63-W96 HydrophobicContact CG-CZ2 4.47Å; P63-Y127 HydrophobicContact CG-CD1 4.35Å; P63-Y127 HydrophobicContact CG-CG 4.21Å |
| 64 | D | 77.1 | Confident | 68.6 | Low | 145 Ų | 145 | 86 Ų | 86 | 78% | 0.775 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.4 | 166.9 | -61.5 | -36.5 | 0 | 0 | 0 | 110.2 | E66 W96 | D64-E66 PolarHBondContact O-N 3.21Å; D64-W96 VanDerWaalsContact O-CD1 3.31Å; D64-W96 PolarHBondContact O-NE1 2.95Å; D64-W96 VanDerWaalsContact O-NE1 3.14Å |
| 65 | A | 62.9 | Low | 66.6 | Low | 80 Ų | 80 | 92 Ų | 92 | 66% | 0.661 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -57.8 | -14.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 66 | E | 58.7 | Low | 64.2 | Low | 159 Ų | 159 | 99 Ų | 99 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -113.5 | 124.8 | -178.8 | -78.1 | -77.3 | 148.8 | 0 | 0 | 111.1 | D64 A68 | D64-E66 PolarHBondContact O-N 3.21Å; E66-A68 PolarHBondContact O-N 3.11Å |
| 67 | P | 52.8 | Low | 62 | Low | 43 Ų | 43 | 104.2 Ų | 104.2 | 28% | 0.279 | 62% | 0.616 | S | S | . | * | trans | -63.8 | 122.5 | 171.1 | 26.9 | -31.9 | 0 | 0 | 0 | 108.1 | G69 W96 F129 | P67-G69 PolarHBondContact O-N 3.04Å; P67-W96 HydrophobicContact CB-CH2 4.38Å; P67-W96 HydrophobicContact CB-CZ2 3.67Å; P67-F129 VanDerWaalsContact CD-CE2 3.47Å; P67-F129 VanDerWaalsContact CD-CZ 3.42Å; P67-F129 HydrophobicContact CG-CD1 3.92Å; P67-F129 HydrophobicContact CG-CD2 4.25Å; P67-F129 HydrophobicContact CG-CE1 3.7Å; P67-F129 HydrophobicContact CG-CE2 4.05Å; P67-F129 HydrophobicContact CG-CG 4.18Å; P67-F129 HydrophobicContact CG-CZ 3.74Å | ||
| 68 | A | 47.1 | Very low | 59.9 | Low | 109 Ų | 109 | 111.2 Ų | 111.2 | 90% | 0.901 | 64% | 0.637 | S | S | * | * | trans | -64.5 | 76.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E66 G70 | E66-A68 PolarHBondContact O-N 3.11Å; A68-G70 PolarHBondContact O-N 3.5Å | ||
| 69 | G | 43.8 | Very low | 58 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | trans | -80.8 | 83.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P67 | P67-G69 PolarHBondContact O-N 3.04Š| ||
| 70 | G | 46.2 | Very low | 56.3 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 87.2 | 130.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A68 | A68-G70 PolarHBondContact O-N 3.5Š|
| 71 | Q | 37.2 | Very low | 54.6 | Low | 180 Ų | 180 | 127.6 Ų | 127.6 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | 88 | 101.8 | 165.5 | -55.1 | -178.4 | -12.2 | 0 | 0 | 115.3 | ||||
| 72 | G | 39.9 | Very low | 53.2 | Low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | trans | -51.9 | 154.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 73 | V | 40.2 | Very low | 52.2 | Low | 140 Ų | 140 | 131.5 Ų | 131.5 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | 108.1 | 102.1 | -173.3 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 74 | S | 40.4 | Very low | 51.8 | Low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | 71.5 | 111.8 | 150.9 | -156.5 | 0 | 0 | 0 | 0 | 118.3 | R76 | S74-R76 PolarHBondContact O-N 3.47Š| ||
| 75 | R | 43.9 | Very low | 52 | Low | 258 Ų | 258 | 138 Ų | 138 | 97% | 0.974 | 74% | 0.741 | S | S | * | * | trans | -62 | 70.1 | 160.9 | -76 | 178.5 | 175.6 | 143.8 | -3.4 | 110.7 | ||||
| 76 | R | 41.3 | Very low | 53.2 | Low | 215 Ų | 215 | 139.4 Ų | 139.4 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -115.6 | 114.1 | 152.8 | -77.8 | -174.6 | -178.4 | 172.7 | 1.2 | 106.1 | S74 R78 | S74-R76 PolarHBondContact O-N 3.47Å; R76-R78 VanDerWaalsContact C-N 3.27Å; R76-R78 PolarHBondContact O-N 2.9Å | ||
| 77 | T | 48 | Very low | 54.5 | Low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -39.8 | 87.5 | 171.8 | -32.7 | 0 | 0 | 0 | 0 | 110.6 | R79 | T77-R79 HydrophobicContact CG2-CG 4.02Å; T77-R79 PolarHBondContact O-N 2.89Å | ||
| 78 | R | 46.8 | Very low | 56.3 | Low | 212 Ų | 212 | 142.7 Ų | 142.7 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -77.6 | 65.3 | 164.4 | -168.2 | 176.6 | 163.5 | 169.9 | -4.8 | 106.2 | R76 Q80 | R76-R78 VanDerWaalsContact C-N 3.27Å; R76-R78 PolarHBondContact O-N 2.9Å; R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.1Å | ||
| 79 | R | 52.2 | Low | 58.5 | Low | 217 Ų | 217 | 140.3 Ų | 140.3 | 82% | 0.819 | 73% | 0.727 | S | S | * | * | trans | -47.9 | 111.6 | 149.4 | -87.1 | 176.9 | 167.4 | 174 | -4 | 103.1 | T77 | T77-R79 HydrophobicContact CG2-CG 4.02Å; T77-R79 PolarHBondContact O-N 2.89Å | ||
| 80 | Q | 55.3 | Low | 60.8 | Low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 69% | 0.692 | S | S | * | * | trans | -47.5 | 133.4 | 169.8 | -71.6 | -150.4 | -2.8 | 0 | 0 | 106.4 | R78 Q82 | R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.1Å; Q80-Q82 PolarHBondContact O-N 3.37Å | ||
| 81 | P | 54.1 | Low | 62.9 | Low | 95 Ų | 95 | 139.2 Ų | 139.2 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | trans | -52.9 | 115.2 | 172 | -13.3 | 24.8 | 0 | 0 | 0 | 104.5 | H83 | P81-H83 PolarHBondContact O-N 2.97Š| ||
| 82 | Q | 59.9 | Low | 65.5 | Low | 184 Ų | 184 | 133.4 Ų | 133.4 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | trans | -55.9 | 105.3 | 165.8 | -75.5 | -175.3 | -11.4 | 0 | 0 | 103.3 | Q80 R84 | Q80-Q82 PolarHBondContact O-N 3.37Å; Q82-R84 PolarHBondContact O-N 3Å | ||
| 83 | H | 63.9 | Low | 68 | Low | 123 Ų | 123 | 133 Ų | 133 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | trans | -58.7 | 95.3 | -179 | -69.8 | -76.2 | 0 | 0 | 0 | 105.2 | P81 G85 V86 | P81-H83 PolarHBondContact O-N 2.97Å; H83-G85 PolarHBondContact O-N 2.82Å; H83-G85 VanDerWaalsContact O-N 3.12Å; H83-V86 HydrophobicContact CB-CB 3.87Å; H83-V86 HydrophobicContact CB-CG2 3.82Å; H83-V86 PolarHBondContact O-N 2.89Å | ||
| 84 | R | 76.2 | Confident | 70.5 | Confident | 253 Ų | 253 | 128.7 Ų | 128.7 | 96% | 0.955 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 124.2 | -173.2 | -84.3 | -175.4 | 169.5 | -177.5 | -3 | 107.6 | Q82 | Q82-R84 PolarHBondContact O-N 3Š|
| 85 | G | 81.9 | Confident | 73 | Confident | 61 Ų | 61 | 128.3 Ų | 128.3 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.8 | -0 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | H83 | H83-G85 PolarHBondContact O-N 2.82Å; H83-G85 VanDerWaalsContact O-N 3.12Å |
| 86 | V | 87.2 | Confident | 75.4 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | trans | -106.8 | 119.7 | 173.2 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | H83 | H83-V86 HydrophobicContact CB-CB 3.87Å; H83-V86 HydrophobicContact CB-CG2 3.82Å; H83-V86 PolarHBondContact O-N 2.89Å | ||
| 87 | Y | 86.8 | Confident | 77.9 | Confident | 198 Ų | 198 | 109.2 Ų | 109.2 | 78% | 0.776 | 55% | 0.549 | S | S | * | . | trans | -122 | 141.7 | 179.6 | -62 | -88.1 | 0 | 0 | 0 | 109.5 | ||||
| 88 | S | 89.7 | Confident | 80.1 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | trans | -70.1 | 144.3 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 110 | C90 | S88-C90 VanDerWaalsContact CB-O 3.24Å; S88-C90 WeakPolarHBondContact CB-O 3.38Å; S88-C90 PolarHBondContact O-N 3.42Å; S88-C90 PolarHBondContact OG-O 2.99Å | ||
| 89 | V | 92.6 | Very high | 82.3 | Confident | 59 Ų | 59 | 99.5 Ų | 99.5 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -66.7 | -31.8 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | C143 L144 I146 C185 | V89-C143 HydrophobicContact CG1-CB 3.4Å; V89-L144 WeakPolarHBondContact CG1-O 3.36Å; V89-L144 PolarHBondContact O-N 2.83Å; V89-I146 HydrophobicContact CG1-CD1 4.47Å; V89-I146 HydrophobicContact CG1-CG1 4.31Å; V89-C185 HydrophobicContact CG1-CB 3.63Å |
| 90 | C | 92.4 | Very high | 84.3 | Confident | 9 Ų | 9 | 91.2 Ų | 91.2 | 6% | 0.061 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -123.9 | 135.6 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 109 | S88 C155 C183 | S88-C90 VanDerWaalsContact CB-O 3.24Å; S88-C90 WeakPolarHBondContact CB-O 3.38Å; S88-C90 PolarHBondContact O-N 3.42Å; S88-C90 PolarHBondContact OG-O 2.99Å; C90-C155 VanDerWaalsContact CA-SG 3.59Å; C90-C155 HydrophobicContact CB-CB 3.77Å; C90-C155 WeakPolarHBondContact CB-SG 3.29Å; C90-C155 VanDerWaalsContact SG-CA 3.57Å; C90-C155 WeakPolarHBondContact SG-CB 3.29Å; C90-C155 CovalentContact SG-SG 2.03Å; C90-C155 PolarHBondContact SG-SG 2.88Å; C90-C183 HydrophobicContact CB-CB 4.36Å; C90-C183 WeakPolarHBondContact CB-SG 3.4Å |
| 91 | E | 90.6 | Very high | 86.2 | Confident | 109 Ų | 109 | 88.8 Ų | 88.8 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | trans | -77.9 | 138.9 | 172.7 | -171.7 | 176.9 | -164.2 | 0 | 0 | 109.5 | H134 | E91-H134 HydrophobicContact CB-CB 3.89Å; E91-H134 HydrophobicContact CG-CB 3.68Å; E91-H134 PolarHBondContact O-N 2.85Å; E91-H134 IonicContact OE1-ND1 3.78Å; E91-H134 IonicContact OE2-CE1 3.54Å; E91-H134 IonicContact OE2-CG 3.63Å; E91-H134 IonicContact OE2-ND1 2.75Å; E91-H134 PolarHBondContact OE2-ND1 3.37Å | ||
| 92 | S | 92.7 | Very high | 88.2 | Confident | 57 Ų | 57 | 89.5 Ų | 89.5 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.4 | -177 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | T132 | S92-T132 CarbonylContact C-O 3.53Å; S92-T132 VanDerWaalsContact CA-O 3.24Å; S92-T132 WeakPolarHBondContact CA-O 3.47Å |
| 93 | V | 92.4 | Very high | 90 | Very high | 63 Ų | 63 | 81.2 Ų | 81.2 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.4 | 176 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | V95 T131 T132 H134 | V93-V95 HydrophobicContact CG1-CG2 3.87Å; V93-T131 CarbonylContact O-C 3.58Å; V93-T131 WeakPolarHBondContact O-CA 3.36Å; V93-T132 PolarHBondContact N-O 2.8Å; V93-T132 PolarHBondContact O-N 3.44Å; V93-H134 HydrophobicContact CG2-CB 4.06Å |
| 94 | S | 92.7 | Very high | 91.6 | Very high | 50 Ų | 50 | 77.9 Ų | 77.9 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.4 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | E130 T131 | S94-E130 CarbonylContact C-O 3.55Å; S94-E130 VanDerWaalsContact CA-O 3.28Å; S94-E130 WeakPolarHBondContact CA-O 3.48Å; S94-T131 WeakPolarHBondContact OG-CB 3.39Å; S94-T131 WeakPolarHBondContact OG-CG2 3.47Å; S94-T131 PolarHBondContact OG-OG1 3.45Å |
| 95 | V | 93.2 | Very high | 92.6 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.5 | -175.8 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | V93 V97 E130 | V93-V95 HydrophobicContact CG1-CG2 3.87Å; V95-V97 PolarHBondContact O-N 2.82Å; V95-E130 PolarHBondContact N-O 3.08Å; V95-E130 PolarHBondContact O-N 2.88Å |
| 96 | W | 93.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 108.5 | 165.7 | -72.5 | 109.5 | 0 | 0 | 0 | 111.2 | L57 P63 D64 P67 F128 F129 | L57-W96 HydrophobicContact CB-CH2 3.91Å; L57-W96 HydrophobicContact CB-CZ3 3.8Å; P63-W96 HydrophobicContact CB-CD2 4.24Å; P63-W96 HydrophobicContact CB-CG 4.24Å; P63-W96 HydrophobicContact CG-CB 3.7Å; P63-W96 HydrophobicContact CG-CD2 3.44Å; P63-W96 VanDerWaalsContact CG-CD2 3.44Å; P63-W96 HydrophobicContact CG-CE3 4Å; P63-W96 HydrophobicContact CG-CG 3.32Å; P63-W96 HydrophobicContact CG-CZ2 4.47Å; D64-W96 VanDerWaalsContact O-CD1 3.31Å; D64-W96 PolarHBondContact O-NE1 2.95Å; D64-W96 VanDerWaalsContact O-NE1 3.14Å; P67-W96 HydrophobicContact CB-CH2 4.38Å; P67-W96 HydrophobicContact CB-CZ2 3.67Å; W96-F128 CarbonylContact C-O 3.56Å; W96-F128 WeakPolarHBondContact CA-O 3.37Å; W96-F129 HydrophobicContact CD2-CB 4.07Å; W96-F129 AromaticContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CG 4.4Å; W96-F129 AromaticContact CE2-CD2 3.74Å; W96-F129 HydrophobicContact CE3-CB 3.77Å; W96-F129 HydrophobicContact CE3-CD2 4.36Å; W96-F129 HydrophobicContact CG-CD2 4.01Å; W96-F129 HydrophobicContact CH2-CB 3.98Å; W96-F129 HydrophobicContact CZ2-CB 4.27Å; W96-F129 HydrophobicContact CZ2-CD2 4.3Å; W96-F129 HydrophobicContact CZ3-CB 3.71Å; W96-F129 AromaticContact NE1-CD2 3.84Å |
| 97 | V | 94.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 112 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 109 | V95 D99 K100 Y127 F128 E130 | V95-V97 PolarHBondContact O-N 2.82Å; V97-D99 WeakPolarHBondContact CG1-OD1 3.37Å; V97-K100 HydrophobicContact CG1-CB 4.16Å; V97-Y127 WeakPolarHBondContact O-CA 3.4Å; V97-F128 PolarHBondContact N-O 2.85Å; V97-F128 PolarHBondContact O-N 2.8Å; V97-E130 HydrophobicContact CB-CG 4.49Å; V97-E130 HydrophobicContact CG2-CB 3.97Å; V97-E130 HydrophobicContact CG2-CG 4.01Å |
| 98 | G | 92.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | trans | -100.6 | -21.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K100 K125 | G98-K100 VanDerWaalsContact C-N 3.29Å; G98-K100 PolarHBondContact O-N 3.16Å; G98-K125 VanDerWaalsContact C-NZ 3.29Å; G98-K125 WeakPolarHBondContact O-CD 3.34Å; G98-K125 WeakPolarHBondContact O-CE 3.45Å; G98-K125 PolarHBondContact O-NZ 3.01Å | ||
| 99 | D | 92.8 | Very high | 94.5 | Very high | 123 Ų | 123 | 60 Ų | 60 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | trans | -91.5 | 19.9 | -174.9 | 59.6 | -30.8 | 0 | 0 | 0 | 113.5 | V97 T101 | V97-D99 WeakPolarHBondContact CG1-OD1 3.37Å; D99-T101 PolarHBondContact O-N 2.97Å | ||
| 100 | K | 94.6 | Very high | 94.7 | Very high | 42 Ų | 42 | 63 Ų | 63 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | trans | -70.9 | 116.1 | 176.6 | -161.5 | 177.2 | -168.5 | 74.4 | 0 | 110.7 | V97 G98 V113 F128 E130 | V97-K100 HydrophobicContact CG1-CB 4.16Å; G98-K100 VanDerWaalsContact C-N 3.29Å; G98-K100 PolarHBondContact O-N 3.16Å; K100-V113 HydrophobicContact CG-CG2 4.43Å; K100-V113 WeakPolarHBondContact O-CB 3.47Å; K100-V113 WeakPolarHBondContact O-CG1 3.46Å; K100-F128 HydrophobicContact CB-CD2 3.89Å; K100-F128 HydrophobicContact CB-CE2 4.06Å; K100-F128 HydrophobicContact CD-CD2 3.82Å; K100-F128 HydrophobicContact CD-CE2 4.12Å; K100-F128 HydrophobicContact CD-CG 4.14Å; K100-F128 HydrophobicContact CG-CD2 4.48Å; K100-E130 WeakPolarHBondContact CD-OE1 3.32Å; K100-E130 WeakPolarHBondContact CE-OE1 2.84Å; K100-E130 IonicContact NZ-OE1 3.37Å; K100-E130 PolarHBondContact NZ-OE1 3.16Å; K100-E130 IonicContact NZ-OE2 2.81Å | ||
| 101 | T | 95.5 | Very high | 95 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | trans | -105.8 | -24.3 | -179.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | D99 T112 V113 | D99-T101 PolarHBondContact O-N 2.97Å; T101-T112 CarbonylContact O-C 3.57Å; T101-T112 WeakPolarHBondContact O-CA 3.43Å; T101-T112 WeakPolarHBondContact O-CG2 3.41Å; T101-V113 PolarHBondContact O-N 3.35Å | ||
| 102 | K | 96.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 61 Ų | 61 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.9 | -178.3 | -69.3 | -177.1 | 163.2 | -148.6 | 0 | 111 | E110 V111 | K102-E110 WeakPolarHBondContact CD-OE1 3.2Å; K102-E110 IonicContact NZ-OE1 3.69Å; K102-E110 PolarHBondContact NZ-OE1 3.26Å; K102-E110 IonicContact NZ-OE2 3.98Å; K102-E110 PolarHBondContact NZ-OE2 2.92Å; K102-V111 WeakPolarHBondContact CA-O 3.5Å |
| 103 | A | 97 | Very high | 95.5 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 165.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | V111 V113 I177 | A103-V111 HydrophobicContact CB-CG2 4.49Å; A103-V111 PolarHBondContact N-O 3.47Å; A103-V111 WeakPolarHBondContact O-CG2 3.5Å; A103-V111 PolarHBondContact O-N 2.96Å; A103-V113 HydrophobicContact CB-CG2 3.91Å; A103-I177 HydrophobicContact CB-CB 3.76Å; A103-I177 HydrophobicContact CB-CD1 3.78Å; A103-I177 HydrophobicContact CB-CG1 4.33Å; A103-I177 HydrophobicContact CB-CG2 4Å |
| 104 | T | 98.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.1 | 172.3 | -47.2 | 0 | 0 | 0 | 0 | 109.4 | N109 I177 R178 | T104-N109 WeakPolarHBondContact CA-O 3.37Å; T104-I177 CarbonylContact O-C 3.52Å; T104-I177 WeakPolarHBondContact O-CA 2.9Å; T104-R178 WeakPolarHBondContact O-CB 3.41Å; T104-R178 PolarHBondContact O-N 3.22Å |
| 105 | D | 96.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 166.6 | 173 | 179.7 | 44.1 | 0 | 0 | 0 | 111.6 | S107 G108 N109 V111 L176 | D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact O-N 3.16Å; D105-S107 PolarHBondContact OD2-OG 3.01Å; D105-S107 VanDerWaalsContact OD2-OG 3.04Å; D105-G108 PolarHBondContact O-N 2.8Å; D105-N109 PolarHBondContact N-O 2.84Å; D105-V111 HydrophobicContact CB-CG1 3.88Å; D105-V111 HydrophobicContact CB-CG2 4.39Å; D105-L176 CarbonylContact C-O 3.59Å; D105-L176 WeakPolarHBondContact CA-O 3.37Å; D105-L176 PolarHBondContact OD1-N 3.43Å |
| 106 | I | 96.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.2 | 176.1 | -165.6 | 168.2 | 0 | 0 | 0 | 112.8 | G108 F161 L176 | I106-G108 PolarHBondContact O-N 2.89Å; I106-F161 VanDerWaalsContact CA-CE1 3.47Å; I106-F161 HydrophobicContact CB-CD1 4.09Å; I106-F161 HydrophobicContact CB-CE1 4.02Å; I106-F161 HydrophobicContact CB-CZ 4.47Å; I106-F161 HydrophobicContact CG1-CD1 4.43Å; I106-F161 HydrophobicContact CG1-CE1 4.29Å; I106-F161 HydrophobicContact CG1-CE2 4.43Å; I106-F161 HydrophobicContact CG1-CZ 4.27Å; I106-L176 HydrophobicContact CB-CB 4.11Å; I106-L176 HydrophobicContact CD1-CD1 4.07Å; I106-L176 HydrophobicContact CG2-CB 4.23Å; I106-L176 PolarHBondContact N-O 3.45Å |
| 107 | S | 96.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 58% | 0.58 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -1.8 | 175.7 | -42.4 | 0 | 0 | 0 | 0 | 113.6 | D105 N109 | D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact O-N 3.16Å; D105-S107 PolarHBondContact OD2-OG 3.01Å; D105-S107 VanDerWaalsContact OD2-OG 3.04Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 2.95Å |
| 108 | G | 96.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 84.4 | -2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D105 I106 | D105-G108 PolarHBondContact O-N 2.8Å; I106-G108 PolarHBondContact O-N 2.89Å |
| 109 | N | 96.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -76.5 | 142 | 179.8 | -61.6 | -53.2 | 0 | 0 | 0 | 111.8 | T104 D105 S107 F168 | T104-N109 WeakPolarHBondContact CA-O 3.37Å; D105-N109 PolarHBondContact N-O 2.84Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 2.95Å; N109-F168 HydrophobicContact CB-CE2 3.98Å; N109-F168 HydrophobicContact CB-CZ 3.93Å | ||
| 110 | E | 97.6 | Very high | 94.3 | Very high | 122 Ų | 122 | 56 Ų | 56 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.6 | 166.9 | -170 | 179.3 | -119.2 | 0 | 0 | 109.5 | K102 F168 | K102-E110 WeakPolarHBondContact CD-OE1 3.2Å; K102-E110 IonicContact NZ-OE1 3.69Å; K102-E110 PolarHBondContact NZ-OE1 3.26Å; K102-E110 IonicContact NZ-OE2 3.98Å; K102-E110 PolarHBondContact NZ-OE2 2.92Å; E110-F168 VanDerWaalsContact O-CD2 3.29Å; E110-F168 WeakPolarHBondContact O-CD2 3.02Å; E110-F168 WeakPolarHBondContact O-CE2 3.3Å |
| 111 | V | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.9 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | K102 A103 D105 T166 F168 I177 | K102-V111 WeakPolarHBondContact CA-O 3.5Å; A103-V111 HydrophobicContact CB-CG2 4.49Å; A103-V111 PolarHBondContact N-O 3.47Å; A103-V111 WeakPolarHBondContact O-CG2 3.5Å; A103-V111 PolarHBondContact O-N 2.96Å; D105-V111 HydrophobicContact CB-CG1 3.88Å; D105-V111 HydrophobicContact CB-CG2 4.39Å; V111-T166 HydrophobicContact CG2-CG2 3.87Å; V111-F168 HydrophobicContact CB-CB 4.4Å; V111-F168 HydrophobicContact CG1-CB 3.89Å; V111-F168 HydrophobicContact CG1-CD2 3.85Å; V111-F168 HydrophobicContact CG1-CG 4.01Å; V111-I177 HydrophobicContact CG2-CG2 3.77Å |
| 112 | T | 97.1 | Very high | 93.7 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.9 | 178.6 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | T101 T166 S167 | T101-T112 CarbonylContact O-C 3.57Å; T101-T112 WeakPolarHBondContact O-CA 3.43Å; T101-T112 WeakPolarHBondContact O-CG2 3.41Å; T112-T166 CarbonylContact O-C 3.56Å; T112-T166 WeakPolarHBondContact O-CA 3.29Å; T112-T166 WeakPolarHBondContact O-CB 3.36Å; T112-S167 PolarHBondContact N-O 3.02Å; T112-S167 PolarHBondContact O-N 3.15Å |
| 113 | V | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.3 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | K100 T101 A103 F128 T166 I177 | K100-V113 HydrophobicContact CG-CG2 4.43Å; K100-V113 WeakPolarHBondContact O-CB 3.47Å; K100-V113 WeakPolarHBondContact O-CG1 3.46Å; T101-V113 PolarHBondContact O-N 3.35Å; A103-V113 HydrophobicContact CB-CG2 3.91Å; V113-F128 HydrophobicContact CG1-CE2 3.8Å; V113-F128 HydrophobicContact CG1-CZ 3.82Å; V113-T166 HydrophobicContact CG2-CG2 4.4Å; V113-I177 HydrophobicContact CG2-CD1 3.99Å |
| 114 | L | 93.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 128.2 | -178.4 | -68.7 | 171.5 | 0 | 0 | 0 | 110.7 | P39 V117 Q126 L165 V172 | P39-L114 HydrophobicContact CG-CD1 3.78Å; P39-L114 HydrophobicContact CG-CD2 4.25Å; L114-V117 HydrophobicContact CB-CG2 4.34Å; L114-Q126 PolarHBondContact O-NE2 2.98Å; L114-L165 HydrophobicContact CD1-CB 4.37Å; L114-L165 HydrophobicContact CD1-CD2 3.55Å; L114-L165 HydrophobicContact CD1-CG 3.74Å; L114-L165 PolarHBondContact N-O 2.68Å; L114-V172 HydrophobicContact CD1-CG1 3.58Å; L114-V172 HydrophobicContact CD1-CG2 4.13Å; L114-V172 HydrophobicContact CD2-CG2 4.46Å |
| 115 | P | 89.7 | Confident | 93 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -69.1 | -37.8 | -176.5 | 26.6 | -33.7 | 0 | 0 | 0 | 112 | ||
| 116 | Y | 91.3 | Very high | 92.8 | Very high | 110 Ų | 110 | 59.8 Ų | 59.8 | 43% | 0.431 | 33% | 0.331 | S | S | . | . | trans | -138.7 | 149.9 | 177.3 | -62.6 | -82.2 | 0 | 0 | 0 | 110.2 | N123 K124 | Y116-N123 HydrophobicContact CD1-CB 4.42Å; Y116-K124 CarbonylContact C-O 3.57Å; Y116-K124 WeakPolarHBondContact CA-O 2.98Å | ||
| 117 | V | 90.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.2 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | V41 F58 L114 I119 K124 L165 | V41-V117 HydrophobicContact CB-CG1 3.86Å; V41-V117 HydrophobicContact CG2-CG1 3.32Å; F58-V117 HydrophobicContact CE1-CG2 4.46Å; L114-V117 HydrophobicContact CB-CG2 4.34Å; V117-I119 HydrophobicContact CG1-CD1 4.26Å; V117-I119 HydrophobicContact CG1-CG1 3.98Å; V117-K124 PolarHBondContact N-O 2.92Å; V117-K124 PolarHBondContact O-N 3.27Å; V117-L165 HydrophobicContact CB-CD2 4.38Å; V117-L165 HydrophobicContact CG1-CD2 3.74Å; V117-L165 HydrophobicContact CG2-CD2 3.64Å |
| 118 | N | 90.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.3 | 175.9 | -173.1 | -39 | 0 | 0 | 0 | 109.3 | I38 P39 V41 N121 | I38-N118 HydrophobicContact CG2-CB 4.02Å; P39-N118 PolarHBondContact O-N 3.09Å; V41-N118 PolarHBondContact N-O 3.04Å; N118-N121 WeakPolarHBondContact OD1-CA 3.16Å; N118-N121 PolarHBondContact OD1-N 2.81Å; N118-N121 VanDerWaalsContact OD1-N 3.09Å |
| 119 | I | 86.8 | Confident | 92.6 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.1 | 178.7 | -57.1 | 162.6 | 0 | 0 | 0 | 107.4 | P43 F46 F58 V117 N121 V122 K124 | P43-I119 HydrophobicContact CB-CG2 4.3Å; P43-I119 HydrophobicContact CG-CG2 4.4Å; F46-I119 HydrophobicContact CD1-CD1 4.35Å; F46-I119 HydrophobicContact CD2-CD1 3.98Å; F46-I119 HydrophobicContact CD2-CG1 4.31Å; F46-I119 HydrophobicContact CD2-CG2 4.25Å; F46-I119 HydrophobicContact CE1-CD1 3.78Å; F46-I119 HydrophobicContact CE2-CD1 3.36Å; F46-I119 HydrophobicContact CE2-CG1 3.63Å; F46-I119 HydrophobicContact CE2-CG2 4.37Å; F46-I119 HydrophobicContact CG-CD1 4.44Å; F46-I119 HydrophobicContact CZ-CD1 3.25Å; F46-I119 HydrophobicContact CZ-CG1 3.97Å; F58-I119 HydrophobicContact CD1-CD1 4.24Å; V117-I119 HydrophobicContact CG1-CD1 4.26Å; V117-I119 HydrophobicContact CG1-CG1 3.98Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.34Å; I119-V122 PolarHBondContact N-O 3.16Å; I119-V122 PolarHBondContact O-N 2.71Å; I119-K124 HydrophobicContact CB-CD 4.48Å; I119-K124 HydrophobicContact CD1-CB 4.24Å; I119-K124 HydrophobicContact CD1-CD 3.96Å; I119-K124 HydrophobicContact CD1-CG 4.23Å |
| 120 | N | 85.7 | Confident | 92.6 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 42.4 | -176.2 | -66.5 | -35.7 | 0 | 0 | 0 | 113 | P43 V122 | P43-N120 WeakPolarHBondContact CB-OD1 3.45Å; P43-N120 WeakPolarHBondContact CG-OD1 3.33Å; N120-V122 PolarHBondContact O-N 2.83Å; N120-V122 VanDerWaalsContact O-N 3.16Å |
| 121 | N | 87.1 | Confident | 92.4 | Very high | 150 Ų | 150 | 42.7 Ų | 42.7 | 80% | 0.802 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 12.2 | -177.9 | -125.5 | 59 | 0 | 0 | 0 | 114.9 | N118 I119 | N118-N121 WeakPolarHBondContact OD1-CA 3.16Å; N118-N121 PolarHBondContact OD1-N 2.81Å; N118-N121 VanDerWaalsContact OD1-N 3.09Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.34Å |
| 122 | V | 89.6 | Confident | 92.3 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.3 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | A60 I119 N120 K124 | A60-V122 HydrophobicContact CB-CG1 4.12Å; I119-V122 PolarHBondContact N-O 3.16Å; I119-V122 PolarHBondContact O-N 2.71Å; N120-V122 PolarHBondContact O-N 2.83Å; N120-V122 VanDerWaalsContact O-N 3.16Å; V122-K124 HydrophobicContact CG1-CG 4.38Å; V122-K124 PolarHBondContact O-N 3.01Å |
| 123 | N | 91.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 117.6 | 173.1 | -66 | -27.2 | 0 | 0 | 0 | 109.5 | I38 Y116 | I38-N123 WeakPolarHBondContact CD1-ND2 3.38Å; Y116-N123 HydrophobicContact CD1-CB 4.42Å |
| 124 | K | 91.5 | Very high | 91.8 | Very high | 62 Ų | 62 | 46 Ų | 46 | 27% | 0.27 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.6 | 175.7 | -55.9 | -158.5 | -173.9 | -174.2 | 0 | 110.4 | F58 Y116 V117 I119 V122 | F58-K124 HydrophobicContact CB-CD 4.43Å; Y116-K124 CarbonylContact C-O 3.57Å; Y116-K124 WeakPolarHBondContact CA-O 2.98Å; V117-K124 PolarHBondContact N-O 2.92Å; V117-K124 PolarHBondContact O-N 3.27Å; I119-K124 HydrophobicContact CB-CD 4.48Å; I119-K124 HydrophobicContact CD1-CB 4.24Å; I119-K124 HydrophobicContact CD1-CD 3.96Å; I119-K124 HydrophobicContact CD1-CG 4.23Å; V122-K124 HydrophobicContact CG1-CG 4.38Å; V122-K124 PolarHBondContact O-N 3.01Å |
| 125 | K | 93.6 | Very high | 91.2 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 153.6 | 171.8 | -175.8 | 172.1 | -121.1 | -156.6 | 0 | 110.2 | F58 S59 G98 Y127 | F58-K125 WeakPolarHBondContact CA-O 3.41Å; S59-K125 PolarHBondContact N-O 2.85Å; S59-K125 VanDerWaalsContact N-O 3.08Å; S59-K125 PolarHBondContact O-N 2.94Å; G98-K125 VanDerWaalsContact C-NZ 3.29Å; G98-K125 WeakPolarHBondContact O-CD 3.34Å; G98-K125 WeakPolarHBondContact O-CE 3.45Å; G98-K125 PolarHBondContact O-NZ 3.01Å; K125-Y127 HydrophobicContact CB-CD2 4.45Å; K125-Y127 HydrophobicContact CB-CE2 3.83Å; K125-Y127 HydrophobicContact CD-CE1 4.23Å; K125-Y127 HydrophobicContact CD-CE2 4.42Å; K125-Y127 HydrophobicContact CG-CE2 4.21Å |
| 126 | Q | 93.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.2 | 171 | -64.7 | -179.5 | 95.1 | 0 | 0 | 109.3 | F58 L114 F128 L165 | F58-Q126 HydrophobicContact CD1-CG 3.77Å; F58-Q126 HydrophobicContact CE1-CG 3.28Å; F58-Q126 HydrophobicContact CE2-CG 4.44Å; F58-Q126 HydrophobicContact CZ-CG 3.66Å; F58-Q126 VanDerWaalsContact CZ-OE1 3.24Å; L114-Q126 PolarHBondContact O-NE2 2.98Å; Q126-F128 HydrophobicContact CB-CE2 3.7Å; Q126-F128 HydrophobicContact CB-CZ 3.71Å; Q126-F128 WeakPolarHBondContact O-CE2 3.47Å; Q126-L165 PolarHBondContact NE2-O 2.94Å |
| 127 | Y | 94.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.2 | 173 | -65.8 | -88.1 | 0 | 0 | 0 | 109.6 | V56 L57 P62 P63 V97 K125 | V56-Y127 CarbonylContact C-O 3.56Å; V56-Y127 VanDerWaalsContact CA-O 3.29Å; V56-Y127 WeakPolarHBondContact CA-O 3.38Å; L57-Y127 PolarHBondContact N-O 2.97Å; L57-Y127 PolarHBondContact O-N 2.98Å; P62-Y127 WeakPolarHBondContact CA-OH 3.29Å; P62-Y127 HydrophobicContact CB-CE1 3.97Å; P63-Y127 HydrophobicContact CG-CD1 4.35Å; P63-Y127 HydrophobicContact CG-CG 4.21Å; V97-Y127 WeakPolarHBondContact O-CA 3.4Å; K125-Y127 HydrophobicContact CB-CD2 4.45Å; K125-Y127 HydrophobicContact CB-CE2 3.83Å; K125-Y127 HydrophobicContact CD-CE1 4.23Å; K125-Y127 HydrophobicContact CD-CE2 4.42Å; K125-Y127 HydrophobicContact CG-CE2 4.21Å |
| 128 | F | 95.7 | Very high | 88 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.2 | -179.7 | -59.1 | -84.8 | 0 | 0 | 0 | 109.4 | R55 V56 W96 V97 K100 V113 Q126 E130 V162 A164 I177 I179 | R55-F128 CarbonylContact O-C 3.44Å; R55-F128 WeakPolarHBondContact O-CA 3.29Å; V56-F128 HydrophobicContact CB-CE1 4.48Å; V56-F128 HydrophobicContact CG1-CD1 4.2Å; V56-F128 HydrophobicContact CG1-CE1 3.83Å; V56-F128 HydrophobicContact CG1-CZ 4.41Å; V56-F128 HydrophobicContact CG2-CD1 3.72Å; V56-F128 HydrophobicContact CG2-CE1 3.82Å; W96-F128 CarbonylContact C-O 3.56Å; W96-F128 WeakPolarHBondContact CA-O 3.37Å; V97-F128 PolarHBondContact N-O 2.85Å; V97-F128 PolarHBondContact O-N 2.8Å; K100-F128 HydrophobicContact CB-CD2 3.89Å; K100-F128 HydrophobicContact CB-CE2 4.06Å; K100-F128 HydrophobicContact CD-CD2 3.82Å; K100-F128 HydrophobicContact CD-CE2 4.12Å; K100-F128 HydrophobicContact CD-CG 4.14Å; K100-F128 HydrophobicContact CG-CD2 4.48Å; V113-F128 HydrophobicContact CG1-CE2 3.8Å; V113-F128 HydrophobicContact CG1-CZ 3.82Å; Q126-F128 HydrophobicContact CB-CE2 3.7Å; Q126-F128 HydrophobicContact CB-CZ 3.71Å; Q126-F128 WeakPolarHBondContact O-CE2 3.47Å; F128-E130 HydrophobicContact CB-CG 4.11Å; F128-E130 PolarHBondContact O-N 2.82Å; F128-E130 VanDerWaalsContact O-N 3.15Å; F128-V162 HydrophobicContact CD1-CG2 4.2Å; F128-V162 HydrophobicContact CE1-CG2 4.37Å; F128-A164 HydrophobicContact CE1-CB 3.81Å; F128-A164 HydrophobicContact CZ-CB 3.97Å; F128-I177 HydrophobicContact CD1-CD1 4.36Å; F128-I177 HydrophobicContact CE1-CD1 3.65Å; F128-I177 HydrophobicContact CZ-CD1 3.95Å; F128-I179 HydrophobicContact CD1-CG2 4.13Å |
| 129 | F | 95.1 | Very high | 86.6 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 91.9 | 174.6 | -168.8 | -110.4 | 0 | 0 | 0 | 109.7 | R55 P67 W96 | R55-F129 HydrophobicContact CB-CB 4.22Å; R55-F129 HydrophobicContact CG-CB 4.43Å; R55-F129 PolarHBondContact NH1-O 3.33Å; R55-F129 VanDerWaalsContact NH1-O 3.12Å; R55-F129 PolarHBondContact O-N 2.78Å; P67-F129 VanDerWaalsContact CD-CE2 3.47Å; P67-F129 VanDerWaalsContact CD-CZ 3.42Å; P67-F129 HydrophobicContact CG-CD1 3.92Å; P67-F129 HydrophobicContact CG-CD2 4.25Å; P67-F129 HydrophobicContact CG-CE1 3.7Å; P67-F129 HydrophobicContact CG-CE2 4.05Å; P67-F129 HydrophobicContact CG-CG 4.18Å; P67-F129 HydrophobicContact CG-CZ 3.74Å; W96-F129 HydrophobicContact CD2-CB 4.07Å; W96-F129 AromaticContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CG 4.4Å; W96-F129 AromaticContact CE2-CD2 3.74Å; W96-F129 HydrophobicContact CE3-CB 3.77Å; W96-F129 HydrophobicContact CE3-CD2 4.36Å; W96-F129 HydrophobicContact CG-CD2 4.01Å; W96-F129 HydrophobicContact CH2-CB 3.98Å; W96-F129 HydrophobicContact CZ2-CB 4.27Å; W96-F129 HydrophobicContact CZ2-CD2 4.3Å; W96-F129 HydrophobicContact CZ3-CB 3.71Å; W96-F129 AromaticContact NE1-CD2 3.84Å |
| 130 | E | 95.4 | Very high | 85.5 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140.2 | -178.5 | -62.5 | -156.4 | -156.7 | 0 | 0 | 111 | S94 V95 V97 K100 F128 I179 N180 | S94-E130 CarbonylContact C-O 3.55Å; S94-E130 VanDerWaalsContact CA-O 3.28Å; S94-E130 WeakPolarHBondContact CA-O 3.48Å; V95-E130 PolarHBondContact N-O 3.08Å; V95-E130 PolarHBondContact O-N 2.88Å; V97-E130 HydrophobicContact CB-CG 4.49Å; V97-E130 HydrophobicContact CG2-CB 3.97Å; V97-E130 HydrophobicContact CG2-CG 4.01Å; K100-E130 WeakPolarHBondContact CD-OE1 3.32Å; K100-E130 WeakPolarHBondContact CE-OE1 2.84Å; K100-E130 IonicContact NZ-OE1 3.37Å; K100-E130 PolarHBondContact NZ-OE1 3.16Å; K100-E130 IonicContact NZ-OE2 2.81Å; F128-E130 HydrophobicContact CB-CG 4.11Å; F128-E130 PolarHBondContact O-N 2.82Å; F128-E130 VanDerWaalsContact O-N 3.15Å; E130-I179 HydrophobicContact CG-CB 4.2Å; E130-N180 WeakPolarHBondContact CA-O 3.44Å; E130-N180 PolarHBondContact OE2-ND2 2.89Å |
| 131 | T | 94.9 | Very high | 84.7 | Confident | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.8 | 174 | -53.6 | 0 | 0 | 0 | 0 | 109.1 | V93 S94 N180 V181 | V93-T131 CarbonylContact O-C 3.58Å; V93-T131 WeakPolarHBondContact O-CA 3.36Å; S94-T131 WeakPolarHBondContact OG-CB 3.39Å; S94-T131 WeakPolarHBondContact OG-CG2 3.47Å; S94-T131 PolarHBondContact OG-OG1 3.45Å; T131-N180 PolarHBondContact N-O 3.22Å; T131-N180 CarbonylContact O-C 3.54Å; T131-N180 VanDerWaalsContact O-CB 3.29Å; T131-N180 WeakPolarHBondContact O-CB 2.89Å; T131-V181 WeakPolarHBondContact CB-O 3.28Å; T131-V181 PolarHBondContact OG1-O 3.23Å |
| 132 | T | 94.7 | Very high | 84.7 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 154.3 | -178 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | S92 V93 H134 N157 N180 | S92-T132 CarbonylContact C-O 3.53Å; S92-T132 VanDerWaalsContact CA-O 3.24Å; S92-T132 WeakPolarHBondContact CA-O 3.47Å; V93-T132 PolarHBondContact N-O 2.8Å; V93-T132 PolarHBondContact O-N 3.44Å; T132-H134 PolarHBondContact O-N 3.27Å; T132-N157 VanDerWaalsContact CA-OD1 3.3Å; T132-N157 WeakPolarHBondContact CA-OD1 3.46Å; T132-N180 HydrophobicContact CG2-CB 3.94Å |
| 133 | C | 93.3 | Very high | 84.9 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.8 | 168.6 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | T156 N157 C183 | C133-T156 PolarHBondContact SG-O 2.89Å; C133-T156 VanDerWaalsContact SG-O 3.36Å; C133-N157 PolarHBondContact N-OD1 3.15Å; C133-N157 PolarHBondContact SG-OD1 2.82Å; C133-N157 VanDerWaalsContact SG-OD1 3.37Å; C133-C183 WeakPolarHBondContact CA-SG 3.18Å; C133-C183 HydrophobicContact CB-CB 3.89Å; C133-C183 WeakPolarHBondContact CB-SG 3.43Å; C133-C183 VanDerWaalsContact SG-CA 3.55Å; C133-C183 WeakPolarHBondContact SG-CB 3.46Å; C133-C183 CovalentContact SG-SG 2.02Å; C133-C183 PolarHBondContact SG-SG 3.09Å |
| 134 | H | 88.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | trans | -76.7 | 124.8 | 166.1 | -175.1 | -110.1 | 0 | 0 | 0 | 108 | E91 V93 T132 | E91-H134 HydrophobicContact CB-CB 3.89Å; E91-H134 HydrophobicContact CG-CB 3.68Å; E91-H134 PolarHBondContact O-N 2.85Å; E91-H134 IonicContact OE1-ND1 3.78Å; E91-H134 IonicContact OE2-CE1 3.54Å; E91-H134 IonicContact OE2-CG 3.63Å; E91-H134 IonicContact OE2-ND1 2.75Å; E91-H134 PolarHBondContact OE2-ND1 3.37Å; V93-H134 HydrophobicContact CG2-CB 4.06Å; T132-H134 PolarHBondContact O-N 3.27Å | ||
| 135 | V | 80.3 | Confident | 84.9 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | trans | -109.7 | 109.6 | 175 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 136 | P | 71.6 | Confident | 85 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | trans | -64.7 | 151.4 | 179.1 | 20.7 | -26.5 | 0 | 0 | 0 | 110.6 | S138 G139 | P136-S138 PolarHBondContact O-N 3.16Å; P136-G139 PolarHBondContact O-N 2.8Å | ||
| 137 | P | 67.8 | Low | 85 | Confident | 142 Ų | 142 | 56 Ų | 56 | 92% | 0.922 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.1 | -179.2 | -24 | 32.2 | 0 | 0 | 0 | 114 | G139 | P137-G139 PolarHBondContact O-N 3.44Š|
| 138 | S | 65.8 | Low | 84.8 | Confident | 108 Ų | 108 | 57 Ų | 57 | 76% | 0.755 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 1.4 | 175 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | P136 G140 | P136-S138 PolarHBondContact O-N 3.16Å; S138-G140 PolarHBondContact O-N 2.86Å |
| 139 | G | 60.8 | Low | 84.6 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 58% | 0.577 | 41% | 0.41 | S | S | * | . | trans | 72.8 | 9.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P136 P137 S141 | P136-G139 PolarHBondContact O-N 2.8Å; P137-G139 PolarHBondContact O-N 3.44Å; G139-S141 PolarHBondContact O-N 3.32Å; G139-S141 VanDerWaalsContact O-N 3.07Å | ||
| 140 | G | 63.6 | Low | 84.5 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | trans | -75.6 | 93.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S138 R142 | S138-G140 PolarHBondContact O-N 2.86Å; G140-R142 PolarHBondContact O-N 2.92Å | ||
| 141 | S | 70.4 | Confident | 84.4 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | trans | -82.5 | 2.9 | 169.4 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | G139 H154 C155 | G139-S141 PolarHBondContact O-N 3.32Å; G139-S141 VanDerWaalsContact O-N 3.07Å; S141-H154 CarbonylContact O-C 3.45Å; S141-H154 WeakPolarHBondContact O-CA 3.49Å; S141-C155 PolarHBondContact O-N 2.76Å | ||
| 142 | R | 87.1 | Confident | 84.3 | Confident | 97 Ų | 97 | 76.5 Ų | 76.5 | 37% | 0.366 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -75 | 137 | -172.5 | -163 | 179.6 | 179.3 | 85.4 | 24.8 | 111.4 | G140 A148 W151 S153 | G140-R142 PolarHBondContact O-N 2.92Å; R142-A148 VanDerWaalsContact CZ-CB 3.45Å; R142-W151 PolarHBondContact NH2-O 2.02Å; R142-S153 VanDerWaalsContact CG-OG 3.28Å; R142-S153 WeakPolarHBondContact CG-OG 3.21Å |
| 143 | C | 92.8 | Very high | 84.2 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.034 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 133.2 | 177 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | V89 I146 S153 C185 | V89-C143 HydrophobicContact CG1-CB 3.4Å; C143-I146 HydrophobicContact CB-CB 4.33Å; C143-I146 HydrophobicContact CB-CG1 3.45Å; C143-I146 VanDerWaalsContact CB-CG1 3.45Å; C143-S153 PolarHBondContact N-OG 3.37Å; C143-C185 HydrophobicContact CB-CB 3.94Å; C143-C185 WeakPolarHBondContact CB-SG 3.24Å; C143-C185 WeakPolarHBondContact SG-CA 2.99Å; C143-C185 WeakPolarHBondContact SG-CB 3.37Å; C143-C185 CovalentContact SG-SG 2.01Å; C143-C185 PolarHBondContact SG-SG 2.76Å |
| 144 | L | 91.4 | Very high | 84.2 | Confident | 112 Ų | 112 | 77.7 Ų | 77.7 | 59% | 0.586 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 142.7 | 177.4 | -59.7 | 177.5 | 0 | 0 | 0 | 111.8 | V89 I146 | V89-L144 WeakPolarHBondContact CG1-O 3.36Å; V89-L144 PolarHBondContact O-N 2.83Å; L144-I146 PolarHBondContact O-N 3.19Å |
| 145 | G | 92.2 | Very high | 84.5 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 93% | 0.928 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 5.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 146 | I | 94.5 | Very high | 85.2 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | trans | -87.6 | 133.7 | 175.9 | -58.4 | -55.8 | 0 | 0 | 0 | 110.7 | V89 C143 L144 A148 W151 L187 | V89-I146 HydrophobicContact CG1-CD1 4.47Å; V89-I146 HydrophobicContact CG1-CG1 4.31Å; C143-I146 HydrophobicContact CB-CB 4.33Å; C143-I146 HydrophobicContact CB-CG1 3.45Å; C143-I146 VanDerWaalsContact CB-CG1 3.45Å; L144-I146 PolarHBondContact O-N 3.19Å; I146-A148 PolarHBondContact O-N 3.12Å; I146-W151 HydrophobicContact CG2-CB 3.98Å; I146-L187 HydrophobicContact CB-CD2 4.48Å; I146-L187 HydrophobicContact CD1-CD2 4.16Å; I146-L187 HydrophobicContact CG1-CD2 4.04Å; I146-L187 HydrophobicContact CG2-CD2 3.67Å | ||
| 147 | D | 93.8 | Very high | 86.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | trans | -61.5 | 105.5 | 174.4 | 178.3 | 8.9 | 0 | 0 | 0 | 111.7 | R149 H150 W151 | D147-R149 VanDerWaalsContact C-N 3.27Å; D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 VanDerWaalsContact OD1-CB 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 PolarHBondContact OD1-N 3.4Å; D147-H150 IonicContact OD1-ND1 3.52Å; D147-H150 IonicContact OD2-CE1 3.9Å; D147-H150 IonicContact OD2-CG 2.65Å; D147-H150 IonicContact OD2-ND1 2.71Å; D147-H150 PolarHBondContact OD2-ND1 3.36Å; D147-W151 WeakPolarHBondContact O-CB 3.48Å; D147-W151 PolarHBondContact O-N 2.88Å; D147-W151 VanDerWaalsContact O-N 3.15Å | ||
| 148 | A | 91.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R142 I146 K190 | R142-A148 VanDerWaalsContact CZ-CB 3.45Å; I146-A148 PolarHBondContact O-N 3.12Å; A148-K190 PolarHBondContact O-NZ 2.75Å |
| 149 | R | 91.3 | Very high | 89.1 | Confident | 210 Ų | 210 | 67.8 Ų | 67.8 | 79% | 0.792 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -43.5 | 177 | -62.9 | 178.3 | 179.5 | -105.3 | 0.5 | 110.6 | D147 K190 | D147-R149 VanDerWaalsContact C-N 3.27Å; D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 VanDerWaalsContact OD1-CB 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 PolarHBondContact OD1-N 3.4Å; R149-K190 WeakPolarHBondContact O-CD 3.42Å |
| 150 | H | 92 | Very high | 90.8 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -20.8 | -173.4 | -54.8 | 105.4 | 0 | 0 | 0 | 114 | D147 K190 W192 | D147-H150 IonicContact OD1-ND1 3.52Å; D147-H150 IonicContact OD2-CE1 3.9Å; D147-H150 IonicContact OD2-CG 2.65Å; D147-H150 IonicContact OD2-ND1 2.71Å; D147-H150 PolarHBondContact OD2-ND1 3.36Å; H150-K190 PolarHBondContact O-N 3.12Å; H150-W192 AromaticContact CD2-CZ2 4Å |
| 151 | W | 94 | Very high | 92.4 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.2 | -173.5 | -57 | 93.8 | 0 | 0 | 0 | 112.8 | R142 I146 D147 L187 R189 | R142-W151 PolarHBondContact NH2-O 2.02Å; I146-W151 HydrophobicContact CG2-CB 3.98Å; D147-W151 WeakPolarHBondContact O-CB 3.48Å; D147-W151 PolarHBondContact O-N 2.88Å; D147-W151 VanDerWaalsContact O-N 3.15Å; W151-L187 HydrophobicContact CE3-CB 4.02Å; W151-R189 HydrophobicContact CE3-CB 4.12Å; W151-R189 HydrophobicContact CH2-CB 4.35Å; W151-R189 HydrophobicContact CZ3-CB 3.78Å; W151-R189 HydrophobicContact CZ3-CG 4.35Å |
| 152 | N | 92.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 67 Ų | 67 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 139.1 | 155 | -66.4 | -42.4 | 0 | 0 | 0 | 107.6 | L187 S188 K190 | N152-L187 CarbonylContact O-C 3.56Å; N152-L187 WeakPolarHBondContact O-CA 3.42Å; N152-S188 WeakPolarHBondContact CB-OG 3.32Å; N152-S188 PolarHBondContact N-O 2.77Å; N152-S188 PolarHBondContact O-N 2.96Å; N152-K190 WeakPolarHBondContact OD1-CE 3.24Å |
| 153 | S | 93.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.3 | -178.1 | 64.5 | 0 | 0 | 0 | 0 | 110.7 | R142 C143 V186 L187 | R142-S153 VanDerWaalsContact CG-OG 3.28Å; R142-S153 WeakPolarHBondContact CG-OG 3.21Å; C143-S153 PolarHBondContact N-OG 3.37Å; S153-V186 VanDerWaalsContact CA-O 3.29Å; S153-V186 WeakPolarHBondContact CA-O 3.19Å; S153-L187 VanDerWaalsContact CB-CD2 3.44Å |
| 154 | H | 93.1 | Very high | 94 | Very high | 85 Ų | 85 | 66.2 Ų | 66.2 | 39% | 0.394 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149 | 171.5 | 67.6 | -77.3 | 0 | 0 | 0 | 111.8 | S141 V186 | S141-H154 CarbonylContact O-C 3.45Å; S141-H154 WeakPolarHBondContact O-CA 3.49Å; H154-V186 PolarHBondContact N-O 2.75Å; H154-V186 PolarHBondContact O-N 3.45Å |
| 155 | C | 94 | Very high | 94.1 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.7 | 175 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | C90 S141 V184 | C90-C155 VanDerWaalsContact CA-SG 3.59Å; C90-C155 HydrophobicContact CB-CB 3.77Å; C90-C155 WeakPolarHBondContact CB-SG 3.29Å; C90-C155 VanDerWaalsContact SG-CA 3.57Å; C90-C155 WeakPolarHBondContact SG-CB 3.29Å; C90-C155 CovalentContact SG-SG 2.03Å; C90-C155 PolarHBondContact SG-SG 2.88Å; S141-C155 PolarHBondContact O-N 2.76Å; C155-V184 WeakPolarHBondContact CA-O 3.39Å |
| 156 | T | 94.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.5 | 178 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | C133 V184 V186 | C133-T156 PolarHBondContact SG-O 2.89Å; C133-T156 VanDerWaalsContact SG-O 3.36Å; T156-V184 HydrophobicContact CG2-CG2 3.94Å; T156-V184 PolarHBondContact N-O 3.04Å; T156-V184 PolarHBondContact O-N 2.88Å; T156-V186 HydrophobicContact CG2-CG2 3.54Å |
| 157 | N | 95.5 | Very high | 94.3 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.2 | 175.7 | -67.1 | -36.9 | 0 | 0 | 0 | 109.7 | T132 C133 | T132-N157 VanDerWaalsContact CA-OD1 3.3Å; T132-N157 WeakPolarHBondContact CA-OD1 3.46Å; C133-N157 PolarHBondContact N-OD1 3.15Å; C133-N157 PolarHBondContact SG-OD1 2.82Å; C133-N157 VanDerWaalsContact SG-OD1 3.37Å |
| 158 | S | 96.2 | Very high | 94.3 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 153.4 | 162.6 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | N180 V181 A182 | S158-N180 WeakPolarHBondContact O-CA 3.36Å; S158-V181 PolarHBondContact O-N 2.77Å; S158-V181 VanDerWaalsContact OG-CG1 3.29Å; S158-V181 WeakPolarHBondContact OG-CG1 2.98Å; S158-A182 PolarHBondContact N-O 3Å; S158-A182 WeakPolarHBondContact OG-CB 3.02Å; S158-A182 PolarHBondContact OG-N 2.97Å; S158-A182 PolarHBondContact OG-O 3.19Å |
| 159 | H | 96.7 | Very high | 94.4 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.9 | -178.5 | -48.2 | -74.1 | 0 | 0 | 0 | 112 | R178 I179 N180 | H159-R178 HydrophobicContact CB-CG 3.54Å; H159-I179 WeakPolarHBondContact CA-O 3.37Å; H159-I179 WeakPolarHBondContact CB-O 2.82Å; H159-N180 PolarHBondContact CE1-OD1 2.65Å; H159-N180 PolarHBondContact ND1-OD1 3.01Å |
| 160 | T | 96.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 58 Ų | 58 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 164.7 | 167 | -166.8 | 0 | 0 | 0 | 0 | 110.1 | V162 R178 I179 V181 | T160-V162 HydrophobicContact CG2-CG1 4.14Å; T160-R178 WeakPolarHBondContact O-CA 3.49Å; T160-I179 HydrophobicContact CG2-CD1 4.29Å; T160-I179 HydrophobicContact CG2-CG1 3.86Å; T160-I179 PolarHBondContact N-O 2.69Å; T160-I179 PolarHBondContact O-N 3.39Å; T160-V181 HydrophobicContact CG2-CB 3.8Å; T160-V181 HydrophobicContact CG2-CG2 3.62Å |
| 161 | F | 96 | Very high | 94.3 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.9 | 175.2 | -69.9 | -80.7 | 0 | 0 | 0 | 110.5 | I106 L176 I177 R178 | I106-F161 VanDerWaalsContact CA-CE1 3.47Å; I106-F161 HydrophobicContact CB-CD1 4.09Å; I106-F161 HydrophobicContact CB-CE1 4.02Å; I106-F161 HydrophobicContact CB-CZ 4.47Å; I106-F161 HydrophobicContact CG1-CD1 4.43Å; I106-F161 HydrophobicContact CG1-CE1 4.29Å; I106-F161 HydrophobicContact CG1-CE2 4.43Å; I106-F161 HydrophobicContact CG1-CZ 4.27Å; F161-L176 HydrophobicContact CB-CB 4.2Å; F161-L176 HydrophobicContact CB-CD2 4.28Å; F161-L176 WeakPolarHBondContact CD1-O 3.29Å; F161-I177 CarbonylContact C-O 3.46Å; F161-I177 VanDerWaalsContact CA-O 3.29Å; F161-I177 WeakPolarHBondContact CA-O 2.97Å; F161-R178 HydrophobicContact CD1-CB 4.28Å; F161-R178 HydrophobicContact CE1-CB 3.89Å |
| 162 | V | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.9 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | R55 V56 F128 T160 L176 I177 I179 | R55-V162 HydrophobicContact CB-CG1 4.22Å; V56-V162 HydrophobicContact CG2-CB 3.66Å; V56-V162 HydrophobicContact CG2-CG1 4.31Å; V56-V162 HydrophobicContact CG2-CG2 3.57Å; F128-V162 HydrophobicContact CD1-CG2 4.2Å; F128-V162 HydrophobicContact CE1-CG2 4.37Å; T160-V162 HydrophobicContact CG2-CG1 4.14Å; V162-L176 CarbonylContact O-C 3.58Å; V162-L176 WeakPolarHBondContact O-CA 3.49Å; V162-I177 HydrophobicContact CG2-CG1 3.88Å; V162-I177 PolarHBondContact N-O 2.87Å; V162-I177 PolarHBondContact O-N 2.85Å; V162-I179 HydrophobicContact CB-CD1 4.34Å; V162-I179 HydrophobicContact CG1-CD1 3.49Å; V162-I179 VanDerWaalsContact CG1-CD1 3.49Å; V162-I179 HydrophobicContact CG1-CG1 3.87Å; V162-I179 HydrophobicContact CG2-CD1 3.89Å; V162-I179 HydrophobicContact CG2-CG1 3.98Å; V162-I179 HydrophobicContact CG2-CG2 3.75Å |
| 163 | R | 94.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 57 Ų | 57 | 33% | 0.328 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.7 | 175 | -68.6 | -175 | 175.7 | -82.9 | 1.8 | 110.4 | R50 S53 W174 R175 L176 | R50-R163 WeakPolarHBondContact O-CD 3.43Å; R50-R163 PolarHBondContact O-NE 3.18Å; S53-R163 WeakPolarHBondContact OG-CB 3.15Å; S53-R163 PolarHBondContact OG-N 3.12Å; S53-R163 PolarHBondContact OG-O 2.93Å; R163-W174 HydrophobicContact CB-CE3 4.23Å; R163-R175 WeakPolarHBondContact CA-O 3.46Å; R163-L176 HydrophobicContact CG-CD2 3.63Å; R163-L176 HydrophobicContact CG-CG 4.39Å |
| 164 | A | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F128 T166 W174 R175 I177 | F128-A164 HydrophobicContact CE1-CB 3.81Å; F128-A164 HydrophobicContact CZ-CB 3.97Å; A164-T166 HydrophobicContact CB-CG2 4.26Å; A164-W174 WeakPolarHBondContact O-CA 3.32Å; A164-R175 PolarHBondContact N-O 2.78Å; A164-R175 PolarHBondContact O-N 2.82Å; A164-I177 HydrophobicContact CB-CD1 3.47Å; A164-I177 VanDerWaalsContact CB-CD1 3.47Å; A164-I177 HydrophobicContact CB-CG1 3.72Å |
| 165 | L | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.5 | 170.6 | -159.2 | 75.3 | 0 | 0 | 0 | 109.2 | V41 L114 V117 Q126 V172 W174 | V41-L165 HydrophobicContact CG2-CD2 3.72Å; L114-L165 HydrophobicContact CD1-CB 4.37Å; L114-L165 HydrophobicContact CD1-CD2 3.55Å; L114-L165 HydrophobicContact CD1-CG 3.74Å; L114-L165 PolarHBondContact N-O 2.68Å; V117-L165 HydrophobicContact CB-CD2 4.38Å; V117-L165 HydrophobicContact CG1-CD2 3.74Å; V117-L165 HydrophobicContact CG2-CD2 3.64Å; Q126-L165 PolarHBondContact NE2-O 2.94Å; L165-V172 HydrophobicContact CD1-CG1 4.04Å; L165-V172 HydrophobicContact CD2-CG1 4.05Å; L165-V172 HydrophobicContact CG-CG1 3.86Å; L165-W174 HydrophobicContact CD1-CD2 4.23Å; L165-W174 HydrophobicContact CD1-CG 4.29Å |
| 166 | T | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.4 | -172.5 | 58 | 0 | 0 | 0 | 0 | 110.8 | V111 T112 V113 A164 V172 A173 R175 I177 | V111-T166 HydrophobicContact CG2-CG2 3.87Å; T112-T166 CarbonylContact O-C 3.56Å; T112-T166 WeakPolarHBondContact O-CA 3.29Å; T112-T166 WeakPolarHBondContact O-CB 3.36Å; V113-T166 HydrophobicContact CG2-CG2 4.4Å; A164-T166 HydrophobicContact CB-CG2 4.26Å; T166-V172 CarbonylContact O-C 3.58Å; T166-V172 VanDerWaalsContact O-CA 3.29Å; T166-V172 WeakPolarHBondContact O-CA 3.32Å; T166-A173 PolarHBondContact N-O 2.76Å; T166-A173 PolarHBondContact O-N 2.73Å; T166-A173 PolarHBondContact OG1-O 3.41Å; T166-R175 PolarHBondContact O-NH1 3.14Å; T166-R175 WeakPolarHBondContact OG1-CB 3.28Å; T166-R175 WeakPolarHBondContact OG1-CD 3.46Å; T166-R175 WeakPolarHBondContact OG1-CG 3.21Å; T166-R175 PolarHBondContact OG1-NH1 2.88Å; T166-I177 HydrophobicContact CG2-CG2 3.68Å |
| 167 | S | 95 | Very high | 94.3 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.2 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | T112 | T112-S167 PolarHBondContact N-O 3.02Å; T112-S167 PolarHBondContact O-N 3.15Å |
| 168 | F | 95.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 127.3 | 172 | -179.3 | -110.5 | 0 | 0 | 0 | 108.5 | N109 E110 V111 N170 L171 | N109-F168 HydrophobicContact CB-CE2 3.98Å; N109-F168 HydrophobicContact CB-CZ 3.93Å; E110-F168 VanDerWaalsContact O-CD2 3.29Å; E110-F168 WeakPolarHBondContact O-CD2 3.02Å; E110-F168 WeakPolarHBondContact O-CE2 3.3Å; V111-F168 HydrophobicContact CB-CB 4.4Å; V111-F168 HydrophobicContact CG1-CB 3.89Å; V111-F168 HydrophobicContact CG1-CD2 3.85Å; V111-F168 HydrophobicContact CG1-CG 4.01Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 2.01Å; F168-L171 PolarHBondContact N-O 2.87Å; F168-L171 VanDerWaalsContact N-O 3.12Å; F168-L171 WeakPolarHBondContact O-CB 3.36Å; F168-L171 PolarHBondContact O-N 2.89Å |
| 169 | K | 93.4 | Very high | 94.5 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47.3 | -174.3 | -59.6 | -179.6 | 177.2 | -176.9 | 0 | 112.3 | L171 | K169-L171 PolarHBondContact O-N 3.2Å; K169-L171 VanDerWaalsContact O-N 3.08Å |
| 170 | N | 89 | Confident | 94.5 | Very high | 151 Ų | 151 | 53.4 Ų | 53.4 | 81% | 0.807 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 10.8 | -177.2 | -54.8 | -22 | 0 | 0 | 0 | 115.5 | F168 | F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 2.01Å |
| 171 | L | 91 | Very high | 94.5 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 63% | 0.634 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.3 | 176.9 | -64.4 | 174.9 | 0 | 0 | 0 | 111.1 | F168 K169 R175 | F168-L171 PolarHBondContact N-O 2.87Å; F168-L171 VanDerWaalsContact N-O 3.12Å; F168-L171 WeakPolarHBondContact O-CB 3.36Å; F168-L171 PolarHBondContact O-N 2.89Å; K169-L171 PolarHBondContact O-N 3.2Å; K169-L171 VanDerWaalsContact O-N 3.08Å; L171-R175 PolarHBondContact O-NH1 3.48Å; L171-R175 VanDerWaalsContact O-NH1 3.16Å; L171-R175 PolarHBondContact O-NH2 3.07Å |
| 172 | V | 92.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 42% | 0.418 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.6 | 173 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | L114 L165 T166 | L114-V172 HydrophobicContact CD1-CG1 3.58Å; L114-V172 HydrophobicContact CD1-CG2 4.13Å; L114-V172 HydrophobicContact CD2-CG2 4.46Å; L165-V172 HydrophobicContact CD1-CG1 4.04Å; L165-V172 HydrophobicContact CD2-CG1 4.05Å; L165-V172 HydrophobicContact CG-CG1 3.86Å; T166-V172 CarbonylContact O-C 3.58Å; T166-V172 VanDerWaalsContact O-CA 3.29Å; T166-V172 WeakPolarHBondContact O-CA 3.32Å |
| 173 | A | 91.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T166 R175 | T166-A173 PolarHBondContact N-O 2.76Å; T166-A173 PolarHBondContact O-N 2.73Å; T166-A173 PolarHBondContact OG1-O 3.41Å; A173-R175 PolarHBondContact O-N 2.03Å |
| 174 | W | 91.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 16% | 0.163 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 116.3 | 167.4 | -72.3 | 96.1 | 0 | 0 | 0 | 109.8 | F46 H51 F58 R163 A164 L165 | F46-W174 HydrophobicContact CD1-CH2 4.17Å; F46-W174 HydrophobicContact CD1-CZ2 4.27Å; F46-W174 AromaticContact CE1-CH2 3.62Å; F46-W174 HydrophobicContact CE1-CH2 3.62Å; F46-W174 AromaticContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE2-CZ2 4.49Å; F46-W174 HydrophobicContact CZ-CH2 4.16Å; F46-W174 AromaticContact CZ-CZ2 3.84Å; F46-W174 HydrophobicContact CZ-CZ2 3.84Å; H51-W174 HydrophobicContact CB-CD2 4.47Å; H51-W174 HydrophobicContact CB-CE3 4.47Å; H51-W174 HydrophobicContact CB-CH2 4.19Å; H51-W174 HydrophobicContact CB-CZ2 4.21Å; H51-W174 HydrophobicContact CB-CZ3 4.33Å; H51-W174 AromaticContact ND1-CD2 3.86Å; H51-W174 AromaticContact ND1-CG 3.83Å; F58-W174 HydrophobicContact CE1-CH2 4.44Å; F58-W174 AromaticContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CZ3 4.02Å; F58-W174 AromaticContact CZ-CH2 3.53Å; F58-W174 HydrophobicContact CZ-CH2 3.53Å; F58-W174 AromaticContact CZ-CZ3 3.83Å; F58-W174 HydrophobicContact CZ-CZ3 3.83Å; R163-W174 HydrophobicContact CB-CE3 4.23Å; A164-W174 WeakPolarHBondContact O-CA 3.32Å; L165-W174 HydrophobicContact CD1-CD2 4.23Å; L165-W174 HydrophobicContact CD1-CG 4.29Å |
| 175 | R | 94.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 15% | 0.151 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 163.9 | 178.2 | -64.3 | -170.9 | -177.6 | 81.7 | -0 | 111 | R163 A164 T166 L171 A173 | R163-R175 WeakPolarHBondContact CA-O 3.46Å; A164-R175 PolarHBondContact N-O 2.78Å; A164-R175 PolarHBondContact O-N 2.82Å; T166-R175 PolarHBondContact O-NH1 3.14Å; T166-R175 WeakPolarHBondContact OG1-CB 3.28Å; T166-R175 WeakPolarHBondContact OG1-CD 3.46Å; T166-R175 WeakPolarHBondContact OG1-CG 3.21Å; T166-R175 PolarHBondContact OG1-NH1 2.88Å; L171-R175 PolarHBondContact O-NH1 3.48Å; L171-R175 VanDerWaalsContact O-NH1 3.16Å; L171-R175 PolarHBondContact O-NH2 3.07Å; A173-R175 PolarHBondContact O-N 2.03Å |
| 176 | L | 95.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.8 | 176.9 | -82.9 | 172.7 | 0 | 0 | 0 | 108.2 | D105 I106 F161 V162 R163 | D105-L176 CarbonylContact C-O 3.59Å; D105-L176 WeakPolarHBondContact CA-O 3.37Å; D105-L176 PolarHBondContact OD1-N 3.43Å; I106-L176 HydrophobicContact CB-CB 4.11Å; I106-L176 HydrophobicContact CD1-CD1 4.07Å; I106-L176 HydrophobicContact CG2-CB 4.23Å; I106-L176 PolarHBondContact N-O 3.45Å; F161-L176 HydrophobicContact CB-CB 4.2Å; F161-L176 HydrophobicContact CB-CD2 4.28Å; F161-L176 WeakPolarHBondContact CD1-O 3.29Å; V162-L176 CarbonylContact O-C 3.58Å; V162-L176 WeakPolarHBondContact O-CA 3.49Å; R163-L176 HydrophobicContact CG-CD2 3.63Å; R163-L176 HydrophobicContact CG-CG 4.39Å |
| 177 | I | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 146.4 | -177.9 | 64.2 | 167.6 | 0 | 0 | 0 | 112 | A103 T104 V111 V113 F128 F161 V162 A164 T166 | A103-I177 HydrophobicContact CB-CB 3.76Å; A103-I177 HydrophobicContact CB-CD1 3.78Å; A103-I177 HydrophobicContact CB-CG1 4.33Å; A103-I177 HydrophobicContact CB-CG2 4Å; T104-I177 CarbonylContact O-C 3.52Å; T104-I177 WeakPolarHBondContact O-CA 2.9Å; V111-I177 HydrophobicContact CG2-CG2 3.77Å; V113-I177 HydrophobicContact CG2-CD1 3.99Å; F128-I177 HydrophobicContact CD1-CD1 4.36Å; F128-I177 HydrophobicContact CE1-CD1 3.65Å; F128-I177 HydrophobicContact CZ-CD1 3.95Å; F161-I177 CarbonylContact C-O 3.46Å; F161-I177 VanDerWaalsContact CA-O 3.29Å; F161-I177 WeakPolarHBondContact CA-O 2.97Å; V162-I177 HydrophobicContact CG2-CG1 3.88Å; V162-I177 PolarHBondContact N-O 2.87Å; V162-I177 PolarHBondContact O-N 2.85Å; A164-I177 HydrophobicContact CB-CD1 3.47Å; A164-I177 VanDerWaalsContact CB-CD1 3.47Å; A164-I177 HydrophobicContact CB-CG1 3.72Å; T166-I177 HydrophobicContact CG2-CG2 3.68Å |
| 178 | R | 97.5 | Very high | 94.5 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.2 | 175.9 | -171.2 | -173.5 | -69.5 | -151.8 | 2.2 | 110.8 | T104 H159 T160 F161 | T104-R178 WeakPolarHBondContact O-CB 3.41Å; T104-R178 PolarHBondContact O-N 3.22Å; H159-R178 HydrophobicContact CB-CG 3.54Å; T160-R178 WeakPolarHBondContact O-CA 3.49Å; F161-R178 HydrophobicContact CD1-CB 4.28Å; F161-R178 HydrophobicContact CE1-CB 3.89Å |
| 179 | I | 97.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.2 | 170.2 | 64.1 | 163 | 0 | 0 | 0 | 111 | R55 F128 E130 H159 T160 V162 | R55-I179 HydrophobicContact CB-CD1 3.97Å; F128-I179 HydrophobicContact CD1-CG2 4.13Å; E130-I179 HydrophobicContact CG-CB 4.2Å; H159-I179 WeakPolarHBondContact CA-O 3.37Å; H159-I179 WeakPolarHBondContact CB-O 2.82Å; T160-I179 HydrophobicContact CG2-CD1 4.29Å; T160-I179 HydrophobicContact CG2-CG1 3.86Å; T160-I179 PolarHBondContact N-O 2.69Å; T160-I179 PolarHBondContact O-N 3.39Å; V162-I179 HydrophobicContact CB-CD1 4.34Å; V162-I179 HydrophobicContact CG1-CD1 3.49Å; V162-I179 VanDerWaalsContact CG1-CD1 3.49Å; V162-I179 HydrophobicContact CG1-CG1 3.87Å; V162-I179 HydrophobicContact CG2-CD1 3.89Å; V162-I179 HydrophobicContact CG2-CG1 3.98Å; V162-I179 HydrophobicContact CG2-CG2 3.75Å |
| 180 | N | 97.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.7 | 173.6 | -62.7 | -40.2 | 0 | 0 | 0 | 110.6 | E130 T131 T132 S158 H159 | E130-N180 WeakPolarHBondContact CA-O 3.44Å; E130-N180 PolarHBondContact OE2-ND2 2.89Å; T131-N180 PolarHBondContact N-O 3.22Å; T131-N180 CarbonylContact O-C 3.54Å; T131-N180 VanDerWaalsContact O-CB 3.29Å; T131-N180 WeakPolarHBondContact O-CB 2.89Å; T132-N180 HydrophobicContact CG2-CB 3.94Å; S158-N180 WeakPolarHBondContact O-CA 3.36Å; H159-N180 PolarHBondContact CE1-OD1 2.65Å; H159-N180 PolarHBondContact ND1-OD1 3.01Å |
| 181 | V | 96 | Very high | 93.9 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -26.9 | -169.4 | 77.3 | 0 | 0 | 0 | 0 | 114.1 | R55 T131 S158 T160 | R55-V181 PolarHBondContact NH1-O 2.92Å; R55-V181 VanDerWaalsContact NH2-CG2 3.35Å; R55-V181 PolarHBondContact NH2-O 3.37Å; T131-V181 WeakPolarHBondContact CB-O 3.28Å; T131-V181 PolarHBondContact OG1-O 3.23Å; S158-V181 PolarHBondContact O-N 2.77Å; S158-V181 VanDerWaalsContact OG-CG1 3.29Å; S158-V181 WeakPolarHBondContact OG-CG1 2.98Å; T160-V181 HydrophobicContact CG2-CB 3.8Å; T160-V181 HydrophobicContact CG2-CG2 3.62Å |
| 182 | A | 95.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 160.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S158 | S158-A182 PolarHBondContact N-O 3Å; S158-A182 WeakPolarHBondContact OG-CB 3.02Å; S158-A182 PolarHBondContact OG-N 2.97Å; S158-A182 PolarHBondContact OG-O 3.19Å |
| 183 | C | 94.9 | Very high | 91 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.7 | 167.2 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | C90 C133 | C90-C183 HydrophobicContact CB-CB 4.36Å; C90-C183 WeakPolarHBondContact CB-SG 3.4Å; C133-C183 WeakPolarHBondContact CA-SG 3.18Å; C133-C183 HydrophobicContact CB-CB 3.89Å; C133-C183 WeakPolarHBondContact CB-SG 3.43Å; C133-C183 VanDerWaalsContact SG-CA 3.55Å; C133-C183 WeakPolarHBondContact SG-CB 3.46Å; C133-C183 CovalentContact SG-SG 2.02Å; C133-C183 PolarHBondContact SG-SG 3.09Å |
| 184 | V | 95.8 | Very high | 88.8 | Confident | 61 Ų | 61 | 77 Ų | 77 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.1 | -177 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | C155 T156 | C155-V184 WeakPolarHBondContact CA-O 3.39Å; T156-V184 HydrophobicContact CG2-CG2 3.94Å; T156-V184 PolarHBondContact N-O 3.04Å; T156-V184 PolarHBondContact O-N 2.88Å |
| 185 | C | 95.3 | Very high | 88.7 | Confident | 41 Ų | 41 | 78.7 Ų | 78.7 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.8 | 173 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | V89 C143 | V89-C185 HydrophobicContact CG1-CB 3.63Å; C143-C185 HydrophobicContact CB-CB 3.94Å; C143-C185 WeakPolarHBondContact CB-SG 3.24Å; C143-C185 WeakPolarHBondContact SG-CA 2.99Å; C143-C185 WeakPolarHBondContact SG-CB 3.37Å; C143-C185 CovalentContact SG-SG 2.01Å; C143-C185 PolarHBondContact SG-SG 2.76Å |
| 186 | V | 95.5 | Very high | 88.4 | Confident | 59 Ų | 59 | 80.7 Ų | 80.7 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.8 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | S153 H154 T156 | S153-V186 VanDerWaalsContact CA-O 3.29Å; S153-V186 WeakPolarHBondContact CA-O 3.19Å; H154-V186 PolarHBondContact N-O 2.75Å; H154-V186 PolarHBondContact O-N 3.45Å; T156-V186 HydrophobicContact CG2-CG2 3.54Å |
| 187 | L | 95.1 | Very high | 88 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.7 | -178.6 | -57 | -177.8 | 0 | 0 | 0 | 110.8 | I146 W151 N152 S153 | I146-L187 HydrophobicContact CB-CD2 4.48Å; I146-L187 HydrophobicContact CD1-CD2 4.16Å; I146-L187 HydrophobicContact CG1-CD2 4.04Å; I146-L187 HydrophobicContact CG2-CD2 3.67Å; W151-L187 HydrophobicContact CE3-CB 4.02Å; N152-L187 CarbonylContact O-C 3.56Å; N152-L187 WeakPolarHBondContact O-CA 3.42Å; S153-L187 VanDerWaalsContact CB-CD2 3.44Å |
| 188 | S | 93.6 | Very high | 87.4 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 43% | 0.434 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.1 | 163 | 64.4 | 0 | 0 | 0 | 0 | 110 | N152 K190 | N152-S188 WeakPolarHBondContact CB-OG 3.32Å; N152-S188 PolarHBondContact N-O 2.77Å; N152-S188 PolarHBondContact O-N 2.96Å; S188-K190 PolarHBondContact O-N 2.89Å |
| 189 | R | 93.1 | Very high | 86.8 | Confident | 177 Ų | 177 | 86 Ų | 86 | 67% | 0.668 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.4 | -179 | -167.6 | 173.6 | 68.9 | -180 | 2.3 | 108.8 | W151 S191 | W151-R189 HydrophobicContact CE3-CB 4.12Å; W151-R189 HydrophobicContact CH2-CB 4.35Å; W151-R189 HydrophobicContact CZ3-CB 3.78Å; W151-R189 HydrophobicContact CZ3-CG 4.35Å; R189-S191 PolarHBondContact O-N 2.71Å; R189-S191 VanDerWaalsContact O-N 3.16Å |
| 190 | K | 90.3 | Very high | 86.1 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 33% | 0.33 | 46% | 0.462 | S | S | . | . | trans | -67.1 | 113.1 | 165 | -69.5 | 175.5 | 171.9 | -172.9 | 0 | 105.9 | A148 R149 H150 N152 S188 W192 | A148-K190 PolarHBondContact O-NZ 2.75Å; R149-K190 WeakPolarHBondContact O-CD 3.42Å; H150-K190 PolarHBondContact O-N 3.12Å; N152-K190 WeakPolarHBondContact OD1-CE 3.24Å; S188-K190 PolarHBondContact O-N 2.89Å; K190-W192 PolarHBondContact O-N 2.85Å | ||
| 191 | S | 80.8 | Confident | 85.3 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | trans | -52.9 | 132.3 | 175.3 | 55 | 0 | 0 | 0 | 0 | 108.2 | R189 Q193 | R189-S191 PolarHBondContact O-N 2.71Å; R189-S191 VanDerWaalsContact O-N 3.16Å; S191-Q193 PolarHBondContact O-N 2.86Å | ||
| 192 | W | 64.6 | Low | 84.5 | Confident | 195 Ų | 195 | 101.1 Ų | 101.1 | 74% | 0.739 | 51% | 0.507 | S | S | * | . | trans | -63.6 | 93.7 | 160.7 | -68.3 | 91.6 | 0 | 0 | 0 | 105.9 | H150 K190 Q194 | H150-W192 AromaticContact CD2-CZ2 4Å; K190-W192 PolarHBondContact O-N 2.85Å; W192-Q194 PolarHBondContact O-N 2.72Å; W192-Q194 VanDerWaalsContact O-N 3.09Å | ||
| 193 | Q | 57.6 | Low | 83.6 | Confident | 175 Ų | 175 | 106.6 Ų | 106.6 | 82% | 0.818 | 53% | 0.525 | S | S | * | . | trans | -66.6 | 101.1 | 151.8 | -72 | -92.5 | -53.4 | 0 | 0 | 103.2 | S191 | S191-Q193 PolarHBondContact O-N 2.86Š| ||
| 194 | Q | 46.2 | Very low | 82.5 | Confident | 250 Ų | 250 | 114.5 Ų | 114.5 | 100% | 1.168 | 56% | 0.56 | S | S | * | * | trans | -63.4 | 0 | 165.7 | -81.5 | 175.4 | -26.6 | 0 | 0 | 109.1 | W192 | W192-Q194 PolarHBondContact O-N 2.72Å; W192-Q194 VanDerWaalsContact O-N 3.09Å |
Retrieved 194 of 194 residues in 265 ms
(Link to these results)