| 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 | 39.5 | Very low | 37.5 | Very low | 234 Ų | 234 | 165.4 Ų | 165.4 | 100% | 1.153 | 85% | 0.846 | S | S | * | * | 0 | 77 | 0 | -95.6 | 179.5 | 149 | 0 | 0 | 105 | |||||
| 2 | D | 40.9 | Very low | 37.3 | Very low | 158 Ų | 158 | 166.9 Ų | 166.9 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | -100.2 | 123.3 | -165.1 | -63.1 | -72.4 | 0 | 0 | 0 | 108.7 | C4 | D2-C4 PolarHBondContact O-N 2.75Š| ||
| 3 | K | 36 | Very low | 37.5 | Very low | 203 Ų | 203 | 168.7 Ų | 168.7 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | trans | -70 | 119.1 | -170.5 | -70 | 176.6 | 176.9 | 179.9 | 0 | 109.5 | Q5 | K3-Q5 PolarHBondContact O-N 3.37Š| ||
| 4 | C | 37.7 | Very low | 37.8 | Very low | 125 Ų | 125 | 165.7 Ų | 165.7 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | -62.8 | 114.2 | 164 | -73.9 | 0 | 0 | 0 | 0 | 109.8 | D2 K6 | D2-C4 PolarHBondContact O-N 2.75Å; C4-K6 PolarHBondContact O-N 3.3Å | ||
| 5 | Q | 39 | Very low | 37.3 | Very low | 174 Ų | 174 | 165.3 Ų | 165.3 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | trans | -74.9 | 113.9 | 163.7 | -113.1 | 144.2 | -42.9 | 0 | 0 | 108.6 | K3 H7 | K3-Q5 PolarHBondContact O-N 3.37Å; Q5-H7 PolarHBondContact O-N 3.25Å | ||
| 6 | K | 41.7 | Very low | 37.5 | Very low | 185 Ų | 185 | 161.4 Ų | 161.4 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -74.7 | 118.5 | 167.2 | -71.1 | 179.6 | 178.4 | -178 | 0 | 107.5 | C4 | C4-K6 PolarHBondContact O-N 3.3Š| ||
| 7 | H | 39.1 | Very low | 37.3 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | trans | -87.1 | 110 | 160.5 | -88 | -105.8 | 0 | 0 | 0 | 106.9 | Q5 V9 | Q5-H7 PolarHBondContact O-N 3.25Å; H7-V9 PolarHBondContact O-N 3.41Å | ||
| 8 | D | 35.2 | Very low | 37 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -70.9 | 110.1 | 166.7 | -66 | -51.1 | 0 | 0 | 0 | 107.4 | E10 | D8-E10 PolarHBondContact O-N 3.47Š| ||
| 9 | V | 40.7 | Very low | 37 | Very low | 126 Ų | 126 | 157.6 Ų | 157.6 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -84.3 | 102 | 169.2 | 175.8 | 0 | 0 | 0 | 0 | 106.3 | H7 C11 | H7-V9 PolarHBondContact O-N 3.41Å; V9-C11 PolarHBondContact O-N 2.98Å | ||
| 10 | E | 30.9 | Very low | 37 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -71.2 | 107.2 | 173.4 | -164 | 150 | -162 | 0 | 0 | 108.5 | D8 E12 | D8-E10 PolarHBondContact O-N 3.47Å; E10-E12 PolarHBondContact O-N 3.26Å; E10-E12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | C | 31.3 | Very low | 37 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -73.1 | 95.2 | 172.7 | -73.5 | 0 | 0 | 0 | 0 | 109.1 | V9 K13 | V9-C11 PolarHBondContact O-N 2.98Å; C11-K13 PolarHBondContact O-N 2.9Å | ||
| 12 | E | 35.3 | Very low | 36.8 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.8 | 163.1 | -84.1 | -169.8 | 133.9 | 0 | 0 | 109.7 | E10 | E10-E12 PolarHBondContact O-N 3.26Å; E10-E12 VanDerWaalsContact O-N 3.11Å |
| 13 | K | 40.4 | Very low | 36.5 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.2 | 170.2 | -67.3 | 175.3 | -178.2 | 171.8 | 0 | 107.8 | C11 D15 | C11-K13 PolarHBondContact O-N 2.9Å; K13-D15 PolarHBondContact O-N 3.33Å |
| 14 | P | 40.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 122.3 | 165.8 | 27.9 | -28.6 | 0 | 0 | 0 | 109.3 | ||
| 15 | D | 30.7 | Very low | 36.2 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.5 | 174.5 | -71.8 | -49.7 | 0 | 0 | 0 | 111.5 | K13 N17 | K13-D15 PolarHBondContact O-N 3.33Å; D15-N17 PolarHBondContact O-N 3.02Å |
| 16 | A | 41.3 | Very low | 36 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -75.2 | 111.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 17 | N | 32.9 | Very low | 35.6 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -168.1 | 148.1 | 142.7 | -151.4 | 9.5 | 0 | 0 | 0 | 114.5 | D15 | D15-N17 PolarHBondContact O-N 3.02Š| ||
| 18 | E | 33.3 | Very low | 35.2 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | 79.7 | 95.3 | 160.8 | -48 | -72.6 | 128.7 | 0 | 0 | 119.2 | ||||
| 19 | D | 35.3 | Very low | 34.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 61.2 | 81.9 | 119.1 | -62.5 | -3.5 | 0 | 0 | 0 | 119.9 | |||||
| 20 | S | 37.4 | Very low | 34.3 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -87.1 | 104.5 | 153 | 81.2 | 0 | 0 | 0 | 0 | 110.1 | C22 | S20-C22 PolarHBondContact O-N 3.39Š| ||
| 21 | L | 36.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -54.4 | 99.7 | 162.9 | -74.6 | 161.4 | 0 | 0 | 0 | 109.6 | N23 | L21-N23 PolarHBondContact O-N 3.48Š| ||
| 22 | C | 36 | Very low | 34.7 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -64.7 | 103.4 | 160.4 | -75 | 0 | 0 | 0 | 0 | 107.2 | S20 S24 | S20-C22 PolarHBondContact O-N 3.39Å; C22-S24 VanDerWaalsContact C-N 3.3Å; C22-S24 PolarHBondContact O-N 2.89Å | ||
| 23 | N | 35.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -57.4 | 95.6 | 167.7 | -78.2 | -27.9 | 0 | 0 | 0 | 108.9 | L21 V25 | L21-N23 PolarHBondContact O-N 3.48Å; N23-V25 PolarHBondContact O-N 3.49Å; N23-V25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | S | 34.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 100.5 | 166.5 | -175.7 | 0 | 0 | 0 | 0 | 107 | C22 H26 | C22-S24 VanDerWaalsContact C-N 3.3Å; C22-S24 PolarHBondContact O-N 2.89Å; S24-H26 VanDerWaalsContact C-N 3.35Å; S24-H26 PolarHBondContact O-N 3.32Å | ||
| 25 | V | 32.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -65.2 | 99.9 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | N23 V27 | N23-V25 PolarHBondContact O-N 3.49Å; N23-V25 VanDerWaalsContact O-N 3.12Å; V25-V27 HydrophobicContact CG1-CG2 4.02Å; V25-V27 PolarHBondContact O-N 3.45Å | ||
| 26 | H | 34.4 | Very low | 35.3 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | trans | -76.8 | 103.8 | 170.4 | -176.8 | 71.2 | 0 | 0 | 0 | 108.4 | S24 Q28 | S24-H26 VanDerWaalsContact C-N 3.35Å; S24-H26 PolarHBondContact O-N 3.32Å; H26-Q28 PolarHBondContact NE2-OE1 3.5Å; H26-Q28 PolarHBondContact O-N 3.44Å | ||
| 27 | V | 33.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 58% | 0.582 | 75% | 0.751 | S | S | * | * | trans | -85.4 | 100.6 | 170.5 | -176 | 0 | 0 | 0 | 0 | 107.7 | V25 | V25-V27 HydrophobicContact CG1-CG2 4.02Å; V25-V27 PolarHBondContact O-N 3.45Å | ||
| 28 | Q | 30.3 | Very low | 35.5 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | trans | -79.8 | 112.5 | 173.1 | -177.1 | 75.9 | 42.4 | 0 | 0 | 109.2 | H26 | H26-Q28 PolarHBondContact NE2-OE1 3.5Å; H26-Q28 PolarHBondContact O-N 3.44Å | ||
| 29 | W | 27.4 | Very low | 35.5 | Very low | 218 Ų | 218 | 128.1 Ų | 128.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -79.4 | 131.2 | 165.5 | -67.3 | 92.2 | 0 | 0 | 0 | 109.3 | ||||
| 30 | P | 30.9 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -93.8 | 133.2 | 178.4 | 33.8 | -27.8 | 0 | 0 | 0 | 111 | ||||
| 31 | G | 35.2 | Very low | 36.6 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 95 | 100.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 32 | E | 33.9 | Very low | 37.2 | Very low | 199 Ų | 199 | 131.1 Ų | 131.1 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | 167.5 | 135.4 | 95.6 | -87 | -172.5 | 164.6 | 0 | 0 | 110.6 | |||||
| 33 | G | 34.3 | Very low | 37.9 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | 55 | 97.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | V35 | G33-V35 VanDerWaalsContact C-N 3.34Å; G33-V35 PolarHBondContact O-N 2.94Å | ||
| 34 | S | 45.4 | Very low | 38.6 | Very low | 130 Ų | 130 | 136 Ų | 136 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -59.2 | 95.9 | 152 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 35 | V | 36 | Very low | 39.8 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -123.9 | 112.5 | 158.1 | -77.2 | 0 | 0 | 0 | 0 | 107.9 | G33 F37 | G33-V35 VanDerWaalsContact C-N 3.34Å; G33-V35 PolarHBondContact O-N 2.94Å; V35-F37 HydrophobicContact CG2-CD2 4.18Å; V35-F37 HydrophobicContact CG2-CE2 4.19Å; V35-F37 PolarHBondContact O-N 3.24Å | ||
| 36 | G | 44.8 | Very low | 40.9 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | -62.2 | 97.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A38 | G36-A38 VanDerWaalsContact C-N 3.31Å; G36-A38 PolarHBondContact O-N 2.9Å; G36-A38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | F | 31.9 | Very low | 42 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 89.8 | 161.6 | -95.2 | -87.8 | 0 | 0 | 0 | 107.9 | V35 F39 | V35-F37 HydrophobicContact CG2-CD2 4.18Å; V35-F37 HydrophobicContact CG2-CE2 4.19Å; V35-F37 PolarHBondContact O-N 3.24Å; F37-F39 PolarHBondContact O-N 3.2Å | ||
| 38 | A | 45.9 | Very low | 43.1 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 83.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108 | G36 I40 | G36-A38 VanDerWaalsContact C-N 3.31Å; G36-A38 PolarHBondContact O-N 2.9Å; G36-A38 VanDerWaalsContact O-N 3.1Å; A38-I40 VanDerWaalsContact C-N 3.26Å; A38-I40 PolarHBondContact O-N 3.3Å | ||
| 39 | F | 34.4 | Very low | 44.3 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 69% | 0.689 | 78% | 0.783 | S | S | * | * | trans | -76.8 | 84.9 | 169.2 | -145.2 | -91.7 | 0 | 0 | 0 | 107.8 | F37 R41 | F37-F39 PolarHBondContact O-N 3.2Å; F39-R41 VanDerWaalsContact C-N 3.29Å; F39-R41 HydrophobicContact CD1-CB 4.29Å; F39-R41 HydrophobicContact CD1-CG 4.14Å; F39-R41 HydrophobicContact CE1-CG 4.19Å; F39-R41 PolarHBondContact O-N 3.48Å | ||
| 40 | I | 48.5 | Very low | 46.1 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -61.9 | 97.2 | 163.3 | -59.9 | -79.4 | 0 | 0 | 0 | 106 | A38 P42 | A38-I40 VanDerWaalsContact C-N 3.26Å; A38-I40 PolarHBondContact O-N 3.3Å; I40-P42 WeakPolarHBondContact O-CD 3.47Å | ||
| 41 | R | 47.9 | Very low | 47.9 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -86.8 | 119.5 | 173.4 | -141 | 179.6 | -150.8 | -135.6 | 5.5 | 107.9 | F39 K43 | F39-R41 VanDerWaalsContact C-N 3.29Å; F39-R41 HydrophobicContact CD1-CB 4.29Å; F39-R41 HydrophobicContact CD1-CG 4.14Å; F39-R41 HydrophobicContact CE1-CG 4.19Å; F39-R41 PolarHBondContact O-N 3.48Å; R41-K43 PolarHBondContact O-N 2.98Å | ||
| 42 | P | 48.1 | Very low | 49.6 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -57.2 | 127.1 | 171.9 | -21.5 | 32.3 | 0 | 0 | 0 | 109.6 | I40 M44 | I40-P42 WeakPolarHBondContact O-CD 3.47Å; P42-M44 PolarHBondContact O-N 3.47Å | ||
| 43 | K | 50.3 | Low | 51.5 | Low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -69.4 | 92.6 | 179.8 | -173.4 | 156.5 | -179.8 | 146.4 | 0 | 109.3 | R41 | R41-K43 PolarHBondContact O-N 2.98Š| ||
| 44 | M | 49.8 | Very low | 53.4 | Low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -90.2 | 109.5 | 156.4 | -74.2 | -163 | -86.2 | 0 | 0 | 107.9 | P42 F46 | P42-M44 PolarHBondContact O-N 3.47Å; M44-F46 PolarHBondContact O-N 2.94Å | ||
| 45 | P | 59.9 | Low | 54.8 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 77.7 | -173.4 | 36.2 | -28.5 | 0 | 0 | 0 | 109.1 | ||
| 46 | F | 55.9 | Low | 56.8 | Low | 184 Ų | 184 | 145 Ų | 145 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.3 | -7.6 | 164.6 | -122.1 | -82.6 | 0 | 0 | 0 | 116.7 | M44 | M44-F46 PolarHBondContact O-N 2.94Š|
| 47 | F | 58.4 | Low | 58.5 | Low | 207 Ų | 207 | 146.6 Ų | 146.6 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -135.8 | 66.2 | 168.9 | -66.8 | -79.7 | 0 | 0 | 0 | 110.3 | ||
| 48 | G | 56.9 | Low | 60.7 | Low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -95.4 | 101.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 49 | N | 55.6 | Low | 62.3 | Low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -167.1 | 111.3 | 131.8 | -135.3 | 14.5 | 0 | 0 | 0 | 109.2 | F51 | N49-F51 PolarHBondContact O-N 3.39Š| ||
| 50 | T | 64.8 | Low | 64.4 | Low | 121 Ų | 121 | 154.1 Ų | 154.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -62.5 | 109.5 | 157.9 | -62.2 | 0 | 0 | 0 | 0 | 105.6 | S52 | T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 2.95Å; T50-S52 PolarHBondContact O-OG 3.27Å; T50-S52 VanDerWaalsContact O-OG 3.06Å | ||
| 51 | F | 68.8 | Low | 65.8 | Low | 175 Ų | 175 | 151 Ų | 151 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -53.1 | 95.3 | 178.2 | 179.3 | -108.1 | 0 | 0 | 0 | 109.1 | N49 P53 | N49-F51 PolarHBondContact O-N 3.39Å; F51-P53 HydrophobicContact CD1-CG 4.02Å; F51-P53 HydrophobicContact CE1-CB 4.02Å; F51-P53 HydrophobicContact CE1-CG 3.5Å; F51-P53 HydrophobicContact CE2-CB 4.13Å; F51-P53 HydrophobicContact CE2-CG 4.44Å; F51-P53 HydrophobicContact CZ-CB 3.71Å; F51-P53 HydrophobicContact CZ-CG 3.75Å; F51-P53 WeakPolarHBondContact O-CD 3.47Å | ||
| 52 | S | 69.3 | Low | 67 | Low | 92 Ų | 92 | 145.3 Ų | 145.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -113.6 | 75.7 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 105.1 | T50 K54 | T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 2.95Å; T50-S52 PolarHBondContact O-OG 3.27Å; T50-S52 VanDerWaalsContact O-OG 3.06Å; S52-K54 PolarHBondContact O-N 2.99Å; S52-K54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | P | 73.8 | Confident | 68.3 | Low | 83 Ų | 83 | 144.1 Ų | 144.1 | 54% | 0.539 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 127.3 | -176.9 | 22.4 | -31.6 | 0 | 0 | 0 | 108.1 | F51 K55 | F51-P53 HydrophobicContact CD1-CG 4.02Å; F51-P53 HydrophobicContact CE1-CB 4.02Å; F51-P53 HydrophobicContact CE1-CG 3.5Å; F51-P53 HydrophobicContact CE2-CB 4.13Å; F51-P53 HydrophobicContact CE2-CG 4.44Å; F51-P53 HydrophobicContact CZ-CB 3.71Å; F51-P53 HydrophobicContact CZ-CG 3.75Å; F51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-K55 PolarHBondContact O-N 3.23Å |
| 54 | K | 74.8 | Confident | 69.6 | Low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 139.8 | 175.3 | -65.4 | -175.4 | 177.3 | -177.6 | 0 | 108.3 | S52 T56 | S52-K54 PolarHBondContact O-N 2.99Å; S52-K54 VanDerWaalsContact O-N 3.16Å; K54-T56 PolarHBondContact O-N 3.02Å; K54-T56 VanDerWaalsContact O-N 3.14Å |
| 55 | K | 74.7 | Confident | 70.9 | Confident | 201 Ų | 201 | 137.4 Ų | 137.4 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 124.7 | 176.1 | -67.4 | -69.4 | -176.2 | 176.3 | 0 | 108.2 | P53 | P53-K55 PolarHBondContact O-N 3.23Š|
| 56 | T | 78.3 | Confident | 71.7 | Confident | 127 Ų | 127 | 137.6 Ų | 137.6 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.2 | -178.3 | 43.1 | 0 | 0 | 0 | 0 | 109 | K54 | K54-T56 PolarHBondContact O-N 3.02Å; K54-T56 VanDerWaalsContact O-N 3.14Å |
| 57 | P | 80.4 | Confident | 72.9 | Confident | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 143.2 | 176.7 | -27.2 | 34.6 | 0 | 0 | 0 | 111.4 | R59 | P57-R59 PolarHBondContact O-N 3.33Š|
| 58 | P | 78.5 | Confident | 73.7 | Confident | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 133 | 176.6 | -25.1 | 33.6 | 0 | 0 | 0 | 110.7 | K60 | P58-K60 PolarHBondContact O-N 3.41Š|
| 59 | R | 79.1 | Confident | 74.9 | Confident | 227 Ų | 227 | 130.8 Ų | 130.8 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.9 | 176.8 | -76.7 | -175.8 | 172.8 | 176.2 | -1.9 | 109 | P57 S61 | P57-R59 PolarHBondContact O-N 3.33Å; R59-S61 PolarHBondContact O-N 3.46Å |
| 60 | K | 78.1 | Confident | 76.2 | Confident | 224 Ų | 224 | 125.6 Ų | 125.6 | 97% | 0.974 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -71 | -18.8 | 177.1 | -63.1 | -173.9 | 178.8 | -174.3 | 0 | 113.2 | P58 | P58-K60 PolarHBondContact O-N 3.41Š|
| 61 | S | 77.7 | Confident | 77.3 | Confident | 85 Ų | 85 | 125.7 Ų | 125.7 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -108.7 | 129 | 173 | 58.9 | 0 | 0 | 0 | 0 | 109.1 | R59 | R59-S61 PolarHBondContact O-N 3.46Š|
| 62 | A | 74.3 | Confident | 78.1 | Confident | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | -59 | 157.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L64 | A62-L64 PolarHBondContact O-N 3.08Š| ||
| 63 | S | 76.1 | Confident | 78.8 | Confident | 86 Ų | 86 | 125.4 Ų | 125.4 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | trans | -56.8 | 133 | 168.8 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | S65 | S63-S65 PolarHBondContact O-N 2.9Å; S63-S65 WeakPolarHBondContact OG-CB 3.44Å; S63-S65 PolarHBondContact OG-N 2.71Å | ||
| 64 | L | 76.8 | Confident | 79.3 | Confident | 170 Ų | 170 | 123.1 Ų | 123.1 | 89% | 0.89 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -68.5 | 1.9 | 169 | -58.4 | -173.2 | 0 | 0 | 0 | 112.2 | A62 N66 | A62-L64 PolarHBondContact O-N 3.08Å; L64-N66 PolarHBondContact O-N 3Å |
| 65 | S | 76.8 | Confident | 79.9 | Confident | 54 Ų | 54 | 118.9 Ų | 118.9 | 38% | 0.378 | 64% | 0.635 | S | S | . | * | trans | -75.5 | 115.8 | 173.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | S63 L67 | S63-S65 PolarHBondContact O-N 2.9Å; S63-S65 WeakPolarHBondContact OG-CB 3.44Å; S63-S65 PolarHBondContact OG-N 2.71Å; S65-L67 PolarHBondContact O-N 3.3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-L67 WeakPolarHBondContact OG-CB 3.31Å; S65-L67 PolarHBondContact OG-N 2.88Å | ||
| 66 | N | 76.1 | Confident | 80.3 | Confident | 107 Ų | 107 | 114.3 Ų | 114.3 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -72.3 | 6.5 | 169.9 | -62.3 | -36.1 | 0 | 0 | 0 | 112.5 | L64 H68 S69 L70 | L64-N66 PolarHBondContact O-N 3Å; N66-H68 PolarHBondContact O-N 3.39Å; N66-S69 WeakPolarHBondContact CA-OG 3.42Å; N66-S69 PolarHBondContact O-N 2.88Å; N66-S69 PolarHBondContact O-OG 2.96Å; N66-L70 HydrophobicContact CB-CD1 4.39Å; N66-L70 HydrophobicContact CB-CG 4.23Å; N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.3Å; N66-L70 PolarHBondContact O-N 3.11Å |
| 67 | L | 80.9 | Confident | 80.5 | Confident | 62 Ų | 62 | 114.2 Ų | 114.2 | 33% | 0.325 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -54.4 | -34.2 | -173.9 | -174 | 73.4 | 0 | 0 | 0 | 113.7 | S65 R75 L79 | S65-L67 PolarHBondContact O-N 3.3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-L67 WeakPolarHBondContact OG-CB 3.31Å; S65-L67 PolarHBondContact OG-N 2.88Å; L67-R75 VanDerWaalsContact CD1-CD 3.47Å; L67-R75 HydrophobicContact CD1-CG 3.86Å; L67-L79 HydrophobicContact CD1-CD1 3.43Å; L67-L79 VanDerWaalsContact CD1-CD1 3.43Å |
| 68 | H | 76.8 | Confident | 80.5 | Confident | 173 Ų | 173 | 115.2 Ų | 115.2 | 80% | 0.801 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -83.2 | -21.6 | -179.2 | -61.7 | -66.7 | 0 | 0 | 0 | 113.5 | N66 | N66-H68 PolarHBondContact O-N 3.39Š|
| 69 | S | 80.9 | Confident | 80.7 | Confident | 90 Ų | 90 | 114.5 Ų | 114.5 | 63% | 0.629 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -10.8 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | N66 | N66-S69 WeakPolarHBondContact CA-OG 3.42Å; N66-S69 PolarHBondContact O-N 2.88Å; N66-S69 PolarHBondContact O-OG 2.96Å |
| 70 | L | 83.3 | Confident | 80.8 | Confident | 42 Ų | 42 | 105 Ų | 105 | 22% | 0.22 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -83.8 | 134.9 | 177 | -69.8 | 174.4 | 0 | 0 | 0 | 111.1 | N66 A74 R75 E78 | N66-L70 HydrophobicContact CB-CD1 4.39Å; N66-L70 HydrophobicContact CB-CG 4.23Å; N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.3Å; N66-L70 PolarHBondContact O-N 3.11Å; L70-A74 HydrophobicContact CD2-CB 4.3Å; L70-R75 HydrophobicContact CB-CB 4.49Å; L70-E78 WeakPolarHBondContact CD1-OE2 3.27Å |
| 71 | D | 88.4 | Confident | 80.9 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | trans | -62.1 | 157.5 | 171.4 | -65 | -19.2 | 0 | 0 | 0 | 111.2 | S73 A74 R75 | D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.4Å; D71-A74 PolarHBondContact O-N 3.4Å; D71-R75 WeakPolarHBondContact O-CB 3.24Å; D71-R75 PolarHBondContact O-N 3.04Å | ||
| 72 | R | 84.9 | Confident | 81.2 | Confident | 181 Ų | 181 | 107.4 Ų | 107.4 | 68% | 0.683 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -53.1 | -44 | -176.9 | -179.3 | 178.1 | 179.2 | 168.4 | 1.4 | 112.9 | E76 | R72-E76 WeakPolarHBondContact CG-OE1 3.37Å; R72-E76 IonicContact CZ-OE1 3.93Å; R72-E76 IonicContact NE-OE1 3.05Å; R72-E76 PolarHBondContact NE-OE1 3.49Å; R72-E76 IonicContact NH2-OE1 3.88Å; R72-E76 WeakPolarHBondContact O-CG 3.44Å; R72-E76 PolarHBondContact O-N 3.42Å |
| 73 | S | 84.6 | Confident | 81.1 | Confident | 80 Ų | 80 | 112.1 Ų | 112.1 | 56% | 0.559 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.5 | -45.7 | -180 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | D71 R75 E76 V77 | D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.4Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.93Å; S73-E76 PolarHBondContact O-N 3Å; S73-V77 WeakPolarHBondContact O-CG2 3.47Å; S73-V77 PolarHBondContact O-N 2.95Å |
| 74 | A | 84.6 | Confident | 81.5 | Confident | 34 Ų | 34 | 110.7 Ų | 110.7 | 28% | 0.281 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L70 D71 V77 E78 | L70-A74 HydrophobicContact CD2-CB 4.3Å; D71-A74 PolarHBondContact O-N 3.4Å; A74-V77 PolarHBondContact O-N 2.94Å; A74-E78 PolarHBondContact O-N 3.12Å |
| 75 | R | 86.1 | Confident | 81.9 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 41% | 0.408 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -39.5 | 175.5 | -173.6 | 173.7 | 68.5 | -157.6 | 4.8 | 112.8 | L67 L70 D71 S73 V77 L79 G80 | L67-R75 VanDerWaalsContact CD1-CD 3.47Å; L67-R75 HydrophobicContact CD1-CG 3.86Å; L70-R75 HydrophobicContact CB-CB 4.49Å; D71-R75 WeakPolarHBondContact O-CB 3.24Å; D71-R75 PolarHBondContact O-N 3.04Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.93Å; R75-V77 VanDerWaalsContact C-N 3.32Å; R75-L79 CarbonylContact O-C 3.48Å; R75-L79 WeakPolarHBondContact O-CA 3.5Å; R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 PolarHBondContact O-N 3.5Å; R75-G80 PolarHBondContact O-N 3.34Å |
| 76 | E | 83.9 | Confident | 82.5 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.6 | -32.3 | 176.4 | -76.6 | 170.5 | -167.1 | 0 | 0 | 111.8 | R72 S73 G80 | R72-E76 WeakPolarHBondContact CG-OE1 3.37Å; R72-E76 IonicContact CZ-OE1 3.93Å; R72-E76 IonicContact NE-OE1 3.05Å; R72-E76 PolarHBondContact NE-OE1 3.49Å; R72-E76 IonicContact NH2-OE1 3.88Å; R72-E76 WeakPolarHBondContact O-CG 3.44Å; R72-E76 PolarHBondContact O-N 3.42Å; S73-E76 PolarHBondContact O-N 3Å; E76-G80 WeakPolarHBondContact O-CA 3.45Å; E76-G80 PolarHBondContact O-N 2.96Å; E76-G80 VanDerWaalsContact O-N 3.16Å |
| 77 | V | 82.8 | Confident | 83.1 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.2 | -46.1 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | S73 A74 R75 | S73-V77 WeakPolarHBondContact O-CG2 3.47Å; S73-V77 PolarHBondContact O-N 2.95Å; A74-V77 PolarHBondContact O-N 2.94Å; R75-V77 VanDerWaalsContact C-N 3.32Å |
| 78 | E | 80.5 | Confident | 83.4 | Confident | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.9 | -34.4 | -174.4 | -67.8 | -175.5 | 179.7 | 0 | 0 | 113.5 | L70 A74 | L70-E78 WeakPolarHBondContact CD1-OE2 3.27Å; A74-E78 PolarHBondContact O-N 3.12Å |
| 79 | L | 81.4 | Confident | 83.9 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -127.5 | 10 | -170.4 | -58.5 | 174.4 | 0 | 0 | 0 | 112.6 | L67 R75 | L67-L79 HydrophobicContact CD1-CD1 3.43Å; L67-L79 VanDerWaalsContact CD1-CD1 3.43Å; R75-L79 CarbonylContact O-C 3.48Å; R75-L79 WeakPolarHBondContact O-CA 3.5Å; R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 PolarHBondContact O-N 3.5Å |
| 80 | G | 81.6 | Confident | 84.1 | Confident | 28 Ų | 28 | 104.7 Ų | 104.7 | 29% | 0.289 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -73.6 | 174.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | R75 E76 E82 | R75-G80 PolarHBondContact O-N 3.34Å; E76-G80 WeakPolarHBondContact O-CA 3.45Å; E76-G80 PolarHBondContact O-N 2.96Å; E76-G80 VanDerWaalsContact O-N 3.16Å; G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.17Å |
| 81 | L | 80.3 | Confident | 84 | Confident | 173 Ų | 173 | 107.6 Ų | 107.6 | 91% | 0.906 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -78.7 | -10.7 | 178.7 | -65.2 | 172.8 | 0 | 0 | 0 | 112.9 | Y83 | L81-Y83 VanDerWaalsContact O-CD1 3.29Å; L81-Y83 WeakPolarHBondContact O-CD1 3.41Å; L81-Y83 PolarHBondContact O-N 2.94Å |
| 82 | E | 83.6 | Confident | 83.7 | Confident | 187 Ų | 187 | 105.7 Ų | 105.7 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | trans | -94.1 | 65.2 | 179.3 | -165.3 | -179.4 | 178.1 | 0 | 0 | 110.5 | G80 G84 | G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.17Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.14Å | ||
| 83 | Y | 73.4 | Confident | 83.6 | Confident | 188 Ų | 188 | 100.6 Ų | 100.6 | 74% | 0.737 | 58% | 0.579 | S | S | * | * | trans | -84.7 | -1.7 | -173.8 | 58.4 | -91.2 | 0 | 0 | 0 | 114.6 | L81 | L81-Y83 VanDerWaalsContact O-CD1 3.29Å; L81-Y83 WeakPolarHBondContact O-CD1 3.41Å; L81-Y83 PolarHBondContact O-N 2.94Å | ||
| 84 | G | 84.3 | Confident | 83.6 | Confident | 55 Ų | 55 | 98 Ų | 98 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | trans | 55.2 | -158.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E82 | E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.14Å | ||
| 85 | S | 84.9 | Confident | 83.8 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -72.3 | 133.2 | 167.5 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | T87 | S85-T87 PolarHBondContact O-N 3.38Š|
| 86 | P | 88.5 | Confident | 84 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | trans | -54.8 | 129.2 | 178.5 | -26 | 33.5 | 0 | 0 | 0 | 112 | F97 W102 | P86-F97 HydrophobicContact CB-CB 4.05Å; P86-F97 HydrophobicContact CG-CB 4.39Å; P86-F97 PolarHBondContact O-N 3.32Å; P86-W102 HydrophobicContact CB-CH2 3.92Å; P86-W102 HydrophobicContact CB-CZ3 4.49Å; P86-W102 WeakPolarHBondContact O-CZ3 3.31Å | ||
| 87 | T | 88.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 152.7 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | S85 L95 K96 | S85-T87 PolarHBondContact O-N 3.38Å; T87-L95 CarbonylContact C-O 3.51Å; T87-L95 WeakPolarHBondContact CA-O 3.35Å; T87-K96 HydrophobicContact CG2-CB 4.42Å |
| 88 | M | 87.8 | Confident | 84.3 | Confident | 72 Ų | 72 | 91 Ų | 91 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 128 | -179 | 175.4 | 168.8 | 68.4 | 0 | 0 | 110.2 | L95 W102 | M88-L95 HydrophobicContact CB-CB 4.42Å; M88-L95 HydrophobicContact CE-CD1 3.44Å; M88-L95 VanDerWaalsContact CE-CD1 3.44Å; M88-L95 PolarHBondContact N-O 3.35Å; M88-L95 PolarHBondContact O-N 3.49Å; M88-W102 HydrophobicContact CB-CE3 4.24Å; M88-W102 HydrophobicContact CB-CH2 4.04Å; M88-W102 HydrophobicContact CB-CZ3 3.72Å; M88-W102 HydrophobicContact CE-CD2 4.36Å |
| 89 | N | 86.9 | Confident | 84.5 | Confident | 127 Ų | 127 | 92.5 Ų | 92.5 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 109.3 | 172.6 | -71.3 | -50.1 | 0 | 0 | 0 | 109.7 | Q93 S94 | N89-Q93 WeakPolarHBondContact CA-O 3.33Å; N89-S94 WeakPolarHBondContact OD1-CA 3.49Å; N89-S94 WeakPolarHBondContact OD1-CB 3.46Å |
| 90 | L | 85.6 | Confident | 84.6 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.8 | 178.2 | -174.5 | 64.6 | 0 | 0 | 0 | 110.1 | G92 Q93 | L90-G92 PolarHBondContact O-N 2.87Å; L90-G92 VanDerWaalsContact O-N 3.12Å; L90-Q93 PolarHBondContact N-O 2.96Å; L90-Q93 WeakPolarHBondContact O-CB 3.35Å; L90-Q93 PolarHBondContact O-N 3.35Å |
| 91 | A | 81.5 | Confident | 84.7 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 85% | 0.851 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 33.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q93 | A91-Q93 VanDerWaalsContact C-N 3.3Å; A91-Q93 PolarHBondContact O-N 2.72Å |
| 92 | G | 82 | Confident | 85 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 87% | 0.866 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 7.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | L90 | L90-G92 PolarHBondContact O-N 2.87Å; L90-G92 VanDerWaalsContact O-N 3.12Å |
| 93 | Q | 82.1 | Confident | 84.9 | Confident | 74 Ų | 74 | 86.3 Ų | 86.3 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.9 | 172.3 | -61.2 | -175.4 | -17.6 | 0 | 0 | 110.2 | N89 L90 A91 | N89-Q93 WeakPolarHBondContact CA-O 3.33Å; L90-Q93 PolarHBondContact N-O 2.96Å; L90-Q93 WeakPolarHBondContact O-CB 3.35Å; L90-Q93 PolarHBondContact O-N 3.35Å; A91-Q93 VanDerWaalsContact C-N 3.3Å; A91-Q93 PolarHBondContact O-N 2.72Å |
| 94 | S | 85.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.7 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | N89 A104 E105 | N89-S94 WeakPolarHBondContact OD1-CA 3.49Å; N89-S94 WeakPolarHBondContact OD1-CB 3.46Å; S94-A104 WeakPolarHBondContact O-CA 3.29Å; S94-E105 WeakPolarHBondContact CB-OE2 3.42Å; S94-E105 PolarHBondContact O-N 3.39Å; S94-E105 PolarHBondContact OG-OE2 2.9Å |
| 95 | L | 88.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.3 | 178.6 | -58.5 | 166.8 | 0 | 0 | 0 | 109.2 | T87 M88 W102 I103 A104 | T87-L95 CarbonylContact C-O 3.51Å; T87-L95 WeakPolarHBondContact CA-O 3.35Å; M88-L95 HydrophobicContact CB-CB 4.42Å; M88-L95 HydrophobicContact CE-CD1 3.44Å; M88-L95 VanDerWaalsContact CE-CD1 3.44Å; M88-L95 PolarHBondContact N-O 3.35Å; M88-L95 PolarHBondContact O-N 3.49Å; L95-W102 HydrophobicContact CB-CE3 3.91Å; L95-I103 CarbonylContact C-O 3.56Å; L95-I103 WeakPolarHBondContact CA-O 3.37Å; L95-A104 HydrophobicContact CD2-CB 3.89Å |
| 96 | K | 89.9 | Confident | 83.7 | Confident | 56 Ų | 56 | 82.2 Ų | 82.2 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141 | 173.3 | 58.5 | 174.1 | -176 | 162.7 | 0 | 110.6 | T87 E98 W102 I103 E105 | T87-K96 HydrophobicContact CG2-CB 4.42Å; K96-E98 HydrophobicContact CD-CG 4.2Å; K96-E98 VanDerWaalsContact CD-OE1 3.27Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 VanDerWaalsContact CE-OE1 3.27Å; K96-E98 WeakPolarHBondContact CE-OE1 3.34Å; K96-E98 VanDerWaalsContact CE-OE2 3.24Å; K96-E98 WeakPolarHBondContact CE-OE2 3.4Å; K96-E98 HydrophobicContact CG-CG 4.36Å; K96-E98 IonicContact NZ-OE1 2.9Å; K96-E98 PolarHBondContact NZ-OE1 3.04Å; K96-E98 IonicContact NZ-OE2 3.92Å; K96-E98 PolarHBondContact NZ-OE2 2.98Å; K96-W102 CarbonylContact O-C 3.43Å; K96-W102 WeakPolarHBondContact O-CA 3.4Å; K96-I103 HydrophobicContact CG-CB 4.22Å; K96-I103 WeakPolarHBondContact CG-O 3.19Å; K96-I103 PolarHBondContact N-O 3.24Å; K96-I103 PolarHBondContact O-N 3.5Å; K96-E105 HydrophobicContact CB-CG 4.03Å; K96-E105 HydrophobicContact CD-CG 3.93Å; K96-E105 HydrophobicContact CG-CG 3.84Å |
| 97 | F | 86.9 | Confident | 82.1 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.7 | 176.8 | -172.5 | -103.2 | 0 | 0 | 0 | 110.7 | P86 G100 Q101 W102 | P86-F97 HydrophobicContact CB-CB 4.05Å; P86-F97 HydrophobicContact CG-CB 4.39Å; P86-F97 PolarHBondContact O-N 3.32Å; F97-G100 VanDerWaalsContact CE2-C 3.48Å; F97-G100 VanDerWaalsContact CZ-CA 3.48Å; F97-Q101 WeakPolarHBondContact CA-O 3.47Å; F97-W102 HydrophobicContact CB-CD2 4.26Å; F97-W102 HydrophobicContact CB-CE3 4Å; F97-W102 HydrophobicContact CB-CH2 4.12Å; F97-W102 HydrophobicContact CB-CZ2 4.35Å; F97-W102 HydrophobicContact CB-CZ3 3.93Å; F97-W102 HydrophobicContact CD2-CD2 4.07Å; F97-W102 AromaticContact CD2-CE2 3.89Å; F97-W102 HydrophobicContact CD2-CG 4.27Å; F97-W102 HydrophobicContact CD2-CZ2 4.34Å; F97-W102 AromaticContact CD2-NE1 3.94Å |
| 98 | E | 86.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 83.4 Ų | 83.4 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.5 | 179.1 | -68.2 | -177.1 | 167.5 | 0 | 0 | 110 | K96 G100 Q101 I103 | K96-E98 HydrophobicContact CD-CG 4.2Å; K96-E98 VanDerWaalsContact CD-OE1 3.27Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 VanDerWaalsContact CE-OE1 3.27Å; K96-E98 WeakPolarHBondContact CE-OE1 3.34Å; K96-E98 VanDerWaalsContact CE-OE2 3.24Å; K96-E98 WeakPolarHBondContact CE-OE2 3.4Å; K96-E98 HydrophobicContact CG-CG 4.36Å; K96-E98 IonicContact NZ-OE1 2.9Å; K96-E98 PolarHBondContact NZ-OE1 3.04Å; K96-E98 IonicContact NZ-OE2 3.92Å; K96-E98 PolarHBondContact NZ-OE2 2.98Å; E98-G100 PolarHBondContact O-N 3.31Å; E98-G100 VanDerWaalsContact O-N 3.1Å; E98-Q101 PolarHBondContact N-O 3.36Å; E98-Q101 PolarHBondContact O-N 2.95Å; E98-I103 HydrophobicContact CB-CD1 3.79Å; E98-I103 HydrophobicContact CB-CG1 4.48Å |
| 99 | N | 83.6 | Confident | 78.8 | Confident | 165 Ų | 165 | 84.5 Ų | 84.5 | 88% | 0.882 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32.6 | 175.5 | -54.9 | -43.9 | 0 | 0 | 0 | 115 | ||
| 100 | G | 84.7 | Confident | 77.1 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F97 E98 | F97-G100 VanDerWaalsContact CE2-C 3.48Å; F97-G100 VanDerWaalsContact CZ-CA 3.48Å; E98-G100 PolarHBondContact O-N 3.31Å; E98-G100 VanDerWaalsContact O-N 3.1Å |
| 101 | Q | 83.5 | Confident | 75.5 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.3 | -177.7 | -62.9 | -176.6 | -1.3 | 0 | 0 | 111.7 | F97 E98 | F97-Q101 WeakPolarHBondContact CA-O 3.47Å; E98-Q101 PolarHBondContact N-O 3.36Å; E98-Q101 PolarHBondContact O-N 2.95Å |
| 102 | W | 85.6 | Confident | 74.4 | Confident | 116 Ų | 116 | 78 Ų | 78 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.7 | 170.3 | -70.2 | 99.6 | 0 | 0 | 0 | 109.5 | P86 M88 L95 K96 F97 | P86-W102 HydrophobicContact CB-CH2 3.92Å; P86-W102 HydrophobicContact CB-CZ3 4.49Å; P86-W102 WeakPolarHBondContact O-CZ3 3.31Å; M88-W102 HydrophobicContact CB-CE3 4.24Å; M88-W102 HydrophobicContact CB-CH2 4.04Å; M88-W102 HydrophobicContact CB-CZ3 3.72Å; M88-W102 HydrophobicContact CE-CD2 4.36Å; L95-W102 HydrophobicContact CB-CE3 3.91Å; K96-W102 CarbonylContact O-C 3.43Å; K96-W102 WeakPolarHBondContact O-CA 3.4Å; F97-W102 HydrophobicContact CB-CD2 4.26Å; F97-W102 HydrophobicContact CB-CE3 4Å; F97-W102 HydrophobicContact CB-CH2 4.12Å; F97-W102 HydrophobicContact CB-CZ2 4.35Å; F97-W102 HydrophobicContact CB-CZ3 3.93Å; F97-W102 HydrophobicContact CD2-CD2 4.07Å; F97-W102 AromaticContact CD2-CE2 3.89Å; F97-W102 HydrophobicContact CD2-CG 4.27Å; F97-W102 HydrophobicContact CD2-CZ2 4.34Å; F97-W102 AromaticContact CD2-NE1 3.94Å |
| 103 | I | 82.8 | Confident | 73.6 | Confident | 63 Ų | 63 | 78 Ų | 78 | 32% | 0.323 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.5 | -177.2 | -50.9 | -176.2 | 0 | 0 | 0 | 108.6 | L95 K96 E98 E105 | L95-I103 CarbonylContact C-O 3.56Å; L95-I103 WeakPolarHBondContact CA-O 3.37Å; K96-I103 HydrophobicContact CG-CB 4.22Å; K96-I103 WeakPolarHBondContact CG-O 3.19Å; K96-I103 PolarHBondContact N-O 3.24Å; K96-I103 PolarHBondContact O-N 3.5Å; E98-I103 HydrophobicContact CB-CD1 3.79Å; E98-I103 HydrophobicContact CB-CG1 4.48Å; I103-E105 PolarHBondContact O-N 2.99Å |
| 104 | A | 83.9 | Confident | 73.2 | Confident | 22 Ų | 22 | 84.9 Ų | 84.9 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S94 L95 V108 | S94-A104 WeakPolarHBondContact O-CA 3.29Å; L95-A104 HydrophobicContact CD2-CB 3.89Å; A104-V108 WeakPolarHBondContact CB-O 3.33Å |
| 105 | E | 73.9 | Confident | 72.8 | Confident | 104 Ų | 104 | 92.9 Ų | 92.9 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -71.3 | -32 | -179 | -67.9 | -172.7 | 146.1 | 0 | 0 | 112.6 | S94 K96 I103 | S94-E105 WeakPolarHBondContact CB-OE2 3.42Å; S94-E105 PolarHBondContact O-N 3.39Å; S94-E105 PolarHBondContact OG-OE2 2.9Å; K96-E105 HydrophobicContact CB-CG 4.03Å; K96-E105 HydrophobicContact CD-CG 3.93Å; K96-E105 HydrophobicContact CG-CG 3.84Å; I103-E105 PolarHBondContact O-N 2.99Å |
| 106 | T | 59.8 | Low | 72.5 | Confident | 106 Ų | 106 | 95 Ų | 95 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -99.1 | 133.6 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 107.9 | V108 | T106-V108 PolarHBondContact O-N 3.06Š|
| 107 | G | 54.8 | Low | 72.3 | Confident | 79 Ų | 79 | 94.8 Ų | 94.8 | 81% | 0.814 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -56 | 18.5 | -170 | 0 | 0 | 0 | 0 | 0 | 118.9 | S109 | G107-S109 PolarHBondContact O-N 3.07Š|
| 108 | V | 52.6 | Low | 72.4 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | trans | -88.7 | 85.8 | 160.3 | -172.6 | 0 | 0 | 0 | 0 | 106.8 | A104 T106 G110 | A104-V108 WeakPolarHBondContact CB-O 3.33Å; T106-V108 PolarHBondContact O-N 3.06Å; V108-G110 PolarHBondContact O-N 3.35Å | ||
| 109 | S | 53.5 | Low | 72.7 | Confident | 95 Ų | 95 | 98.3 Ų | 98.3 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | trans | -58.5 | 84.1 | 169.4 | 19.3 | 0 | 0 | 0 | 0 | 109.3 | G107 G111 | G107-S109 PolarHBondContact O-N 3.07Å; S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.22Å | ||
| 110 | G | 51.2 | Low | 73.2 | Confident | 45 Ų | 45 | 94.4 Ų | 94.4 | 46% | 0.464 | 52% | 0.523 | S | S | . | . | trans | -68.4 | 86.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | V108 | V108-G110 PolarHBondContact O-N 3.35Š| ||
| 111 | G | 52.5 | Low | 73.7 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | trans | 93 | 21.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | S109 D113 | S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.22Å; G111-D113 PolarHBondContact O-N 3.5Å | ||
| 112 | V | 58.1 | Low | 74.3 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -63.3 | 110.3 | 147.6 | 177.8 | 0 | 0 | 0 | 0 | 104.7 | R114 V117 | V112-R114 PolarHBondContact O-N 3.39Å; V112-V117 HydrophobicContact CG1-CG2 3.82Å |
| 113 | D | 66.4 | Low | 74.8 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | trans | -40.4 | 107.3 | -166.7 | 178.3 | 18.7 | 0 | 0 | 0 | 110.3 | G111 R115 E116 V117 | G111-D113 PolarHBondContact O-N 3.5Å; D113-R115 CarbonylContact O-C 3.6Å; D113-R115 PolarHBondContact O-N 3.32Å; D113-R115 VanDerWaalsContact OD1-CB 3.31Å; D113-R115 WeakPolarHBondContact OD1-CB 3.24Å; D113-R115 PolarHBondContact OD1-N 2.94Å; D113-R115 VanDerWaalsContact OD1-N 3.17Å; D113-E116 HydrophobicContact CB-CB 3.85Å; D113-E116 WeakPolarHBondContact O-CA 3.37Å; D113-E116 WeakPolarHBondContact O-CB 3.46Å; D113-E116 PolarHBondContact O-N 2.85Å; D113-E116 PolarHBondContact OD2-N 3.32Å; D113-V117 PolarHBondContact O-N 3.37Å | ||
| 114 | R | 72.4 | Confident | 75.5 | Confident | 218 Ų | 218 | 104.4 Ų | 104.4 | 82% | 0.823 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -54.6 | -25.7 | -177.3 | -178.2 | 177.9 | 163.2 | 173.3 | -3.3 | 110.6 | V112 Q118 | V112-R114 PolarHBondContact O-N 3.39Å; R114-Q118 WeakPolarHBondContact O-CB 3.39Å; R114-Q118 PolarHBondContact O-N 2.92Å |
| 115 | R | 78 | Confident | 76.2 | Confident | 195 Ų | 195 | 108.6 Ų | 108.6 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -45.5 | 172 | -59 | 175.5 | 173.9 | -91.2 | -0.6 | 111.8 | D113 Q118 R119 | D113-R115 CarbonylContact O-C 3.6Å; D113-R115 PolarHBondContact O-N 3.32Å; D113-R115 VanDerWaalsContact OD1-CB 3.31Å; D113-R115 WeakPolarHBondContact OD1-CB 3.24Å; D113-R115 PolarHBondContact OD1-N 2.94Å; D113-R115 VanDerWaalsContact OD1-N 3.17Å; R115-Q118 PolarHBondContact O-N 3.32Å; R115-R119 WeakPolarHBondContact O-CB 3.44Å; R115-R119 PolarHBondContact O-N 2.94Å |
| 116 | E | 82.6 | Confident | 77.4 | Confident | 63 Ų | 63 | 109.1 Ų | 109.1 | 29% | 0.294 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -44.4 | 175.9 | -176.3 | 56.3 | -161.4 | 0 | 0 | 111.7 | D113 Q118 R119 L120 | D113-E116 HydrophobicContact CB-CB 3.85Å; D113-E116 WeakPolarHBondContact O-CA 3.37Å; D113-E116 WeakPolarHBondContact O-CB 3.46Å; D113-E116 PolarHBondContact O-N 2.85Å; D113-E116 PolarHBondContact OD2-N 3.32Å; E116-Q118 VanDerWaalsContact C-N 3.3Å; E116-Q118 PolarHBondContact O-N 3.49Å; E116-R119 PolarHBondContact O-N 3.23Å; E116-R119 IonicContact OE1-CZ 3.5Å; E116-R119 IonicContact OE1-NE 3.33Å; E116-R119 IonicContact OE1-NH2 2.98Å; E116-R119 PolarHBondContact OE1-NH2 3.44Å; E116-R119 IonicContact OE2-CZ 3.47Å; E116-R119 IonicContact OE2-NE 2.72Å; E116-R119 PolarHBondContact OE2-NE 2.98Å; E116-R119 IonicContact OE2-NH2 3.75Å; E116-R119 PolarHBondContact OE2-NH2 3.38Å; E116-L120 HydrophobicContact CG-CD1 4.12Å; E116-L120 HydrophobicContact CG-CG 4.47Å; E116-L120 WeakPolarHBondContact O-CB 3.22Å; E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3Å |
| 117 | V | 84.7 | Confident | 79.2 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 32% | 0.321 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | V112 D113 R121 | V112-V117 HydrophobicContact CG1-CG2 3.82Å; D113-V117 PolarHBondContact O-N 3.37Å; V117-R121 WeakPolarHBondContact O-CB 3.42Å; V117-R121 VanDerWaalsContact O-CG 3.31Å; V117-R121 WeakPolarHBondContact O-CG 3.39Å; V117-R121 PolarHBondContact O-N 3.33Å |
| 118 | Q | 88.8 | Confident | 81.3 | Confident | 100 Ų | 100 | 110 Ų | 110 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 177.1 | -169.2 | 179.6 | 18.4 | 0 | 0 | 112.3 | R114 R115 E116 R121 R122 | R114-Q118 WeakPolarHBondContact O-CB 3.39Å; R114-Q118 PolarHBondContact O-N 2.92Å; R115-Q118 PolarHBondContact O-N 3.32Å; E116-Q118 VanDerWaalsContact C-N 3.3Å; E116-Q118 PolarHBondContact O-N 3.49Å; Q118-R121 PolarHBondContact O-N 3.31Å; Q118-R122 VanDerWaalsContact NE2-NH2 3.1Å; Q118-R122 WeakPolarHBondContact O-CG 3.26Å; Q118-R122 PolarHBondContact O-N 3.27Å |
| 119 | R | 93.1 | Very high | 83.5 | Confident | 121 Ų | 121 | 111 Ų | 111 | 46% | 0.457 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 176.8 | -171.1 | -171.2 | 73.1 | 87.2 | 1.9 | 110.9 | R115 E116 R122 R123 | R115-R119 WeakPolarHBondContact O-CB 3.44Å; R115-R119 PolarHBondContact O-N 2.94Å; E116-R119 PolarHBondContact O-N 3.23Å; E116-R119 IonicContact OE1-CZ 3.5Å; E116-R119 IonicContact OE1-NE 3.33Å; E116-R119 IonicContact OE1-NH2 2.98Å; E116-R119 PolarHBondContact OE1-NH2 3.44Å; E116-R119 IonicContact OE2-CZ 3.47Å; E116-R119 IonicContact OE2-NE 2.72Å; E116-R119 PolarHBondContact OE2-NE 2.98Å; E116-R119 IonicContact OE2-NH2 3.75Å; E116-R119 PolarHBondContact OE2-NH2 3.38Å; R119-R122 PolarHBondContact O-N 2.86Å; R119-R123 PolarHBondContact O-N 2.9Å |
| 120 | L | 93.5 | Very high | 85.6 | Confident | 82 Ų | 82 | 112 Ų | 112 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.5 | -71.1 | 172.8 | 0 | 0 | 0 | 111.4 | E116 R122 R123 N124 | E116-L120 HydrophobicContact CG-CD1 4.12Å; E116-L120 HydrophobicContact CG-CG 4.47Å; E116-L120 WeakPolarHBondContact O-CB 3.22Å; E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3Å; L120-R122 PolarHBondContact O-N 3.21Å; L120-R123 PolarHBondContact O-N 3.27Å; L120-N124 PolarHBondContact O-N 3.46Å |
| 121 | R | 95 | Very high | 87.8 | Confident | 183 Ų | 183 | 113.1 Ų | 113.1 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -46.2 | 174.5 | -77.9 | 179.3 | -177.1 | -167.1 | 1.1 | 112.6 | V117 Q118 R123 N124 Q125 | V117-R121 WeakPolarHBondContact O-CB 3.42Å; V117-R121 VanDerWaalsContact O-CG 3.31Å; V117-R121 WeakPolarHBondContact O-CG 3.39Å; V117-R121 PolarHBondContact O-N 3.33Å; Q118-R121 PolarHBondContact O-N 3.31Å; R121-R123 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 3.41Å; R121-N124 PolarHBondContact O-N 2.97Å; R121-Q125 WeakPolarHBondContact O-CB 3.39Å; R121-Q125 PolarHBondContact O-N 2.96Å |
| 122 | R | 96.8 | Very high | 90 | Very high | 149 Ų | 149 | 114 Ų | 114 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 177 | -70.2 | 177 | -169.3 | -174.8 | 4.8 | 111.8 | Q118 R119 L120 Q125 Q126 | Q118-R122 VanDerWaalsContact NE2-NH2 3.1Å; Q118-R122 WeakPolarHBondContact O-CG 3.26Å; Q118-R122 PolarHBondContact O-N 3.27Å; R119-R122 PolarHBondContact O-N 2.86Å; L120-R122 PolarHBondContact O-N 3.21Å; R122-Q125 PolarHBondContact O-N 3.06Å; R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 3.32Å |
| 123 | R | 97.3 | Very high | 92 | Very high | 145 Ų | 145 | 114 Ų | 114 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 178.4 | -174.2 | 171 | -178.1 | 147.1 | -1.4 | 111.8 | R119 L120 R121 Q125 Q126 L127 | R119-R123 PolarHBondContact O-N 2.9Å; L120-R123 PolarHBondContact O-N 3.27Å; R121-R123 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 3.41Å; R123-Q125 VanDerWaalsContact C-N 3.35Å; R123-Q126 PolarHBondContact O-N 3.38Å; R123-L127 HydrophobicContact CG-CD1 4.08Å; R123-L127 HydrophobicContact CG-CG 4.47Å; R123-L127 WeakPolarHBondContact O-CB 3.42Å; R123-L127 VanDerWaalsContact O-CG 3.26Å; R123-L127 WeakPolarHBondContact O-CG 3.42Å; R123-L127 PolarHBondContact O-N 2.87Å |
| 124 | N | 97.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 114.8 Ų | 114.8 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | -110.2 | -16.1 | 0 | 0 | 0 | 111.5 | L120 R121 Q126 L127 E128 | L120-N124 PolarHBondContact O-N 3.46Å; R121-N124 PolarHBondContact O-N 2.97Å; N124-Q126 PolarHBondContact O-N 3.48Å; N124-L127 PolarHBondContact O-N 2.88Å; N124-E128 WeakPolarHBondContact O-CG 3.46Å; N124-E128 PolarHBondContact O-N 3.47Å |
| 125 | Q | 98.2 | Very high | 94.8 | Very high | 109 Ų | 109 | 111.7 Ų | 111.7 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.3 | -176.7 | 175.7 | 12.5 | 0 | 0 | 112 | R121 R122 R123 L127 E128 E129 | R121-Q125 WeakPolarHBondContact O-CB 3.39Å; R121-Q125 PolarHBondContact O-N 2.96Å; R122-Q125 PolarHBondContact O-N 3.06Å; R123-Q125 VanDerWaalsContact C-N 3.35Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.43Å; Q125-E128 PolarHBondContact O-N 2.98Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.39Å; Q125-E129 PolarHBondContact NE2-OE1 3.48Å; Q125-E129 WeakPolarHBondContact O-CG 3.32Å; Q125-E129 PolarHBondContact O-N 3.23Å |
| 126 | Q | 98.3 | Very high | 95.7 | Very high | 116 Ų | 116 | 107.2 Ų | 107.2 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.6 | -74 | 172.2 | -7.9 | 0 | 0 | 112 | R122 R123 N124 E128 E129 E130 | R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 3.32Å; R123-Q126 PolarHBondContact O-N 3.38Å; N124-Q126 PolarHBondContact O-N 3.48Å; Q126-E128 VanDerWaalsContact C-N 3.33Å; Q126-E128 PolarHBondContact O-N 3.28Å; Q126-E129 PolarHBondContact O-N 2.8Å; Q126-E130 WeakPolarHBondContact O-CB 3.35Å; Q126-E130 WeakPolarHBondContact O-CG 3.48Å; Q126-E130 PolarHBondContact O-N 3.2Å |
| 127 | L | 98.5 | Very high | 96.5 | Very high | 84 Ų | 84 | 109.4 Ų | 109.4 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 178 | -71.7 | 170.7 | 0 | 0 | 0 | 112 | R123 N124 Q125 N131 | R123-L127 HydrophobicContact CG-CD1 4.08Å; R123-L127 HydrophobicContact CG-CG 4.47Å; R123-L127 WeakPolarHBondContact O-CB 3.42Å; R123-L127 VanDerWaalsContact O-CG 3.26Å; R123-L127 WeakPolarHBondContact O-CG 3.42Å; R123-L127 PolarHBondContact O-N 2.87Å; N124-L127 PolarHBondContact O-N 2.88Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.43Å; L127-N131 VanDerWaalsContact O-CB 3.26Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.36Å |
| 128 | E | 98.4 | Very high | 97.2 | Very high | 120 Ų | 120 | 110.7 Ų | 110.7 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 174.3 | -76 | 173.7 | -174.4 | 0 | 0 | 111.6 | N124 Q125 Q126 N131 N132 | N124-E128 WeakPolarHBondContact O-CG 3.46Å; N124-E128 PolarHBondContact O-N 3.47Å; Q125-E128 PolarHBondContact O-N 2.98Å; Q126-E128 VanDerWaalsContact C-N 3.33Å; Q126-E128 PolarHBondContact O-N 3.28Å; E128-N131 PolarHBondContact O-N 2.99Å; E128-N132 WeakPolarHBondContact O-CB 3.36Å; E128-N132 VanDerWaalsContact O-CG 3.23Å; E128-N132 PolarHBondContact O-N 3.4Å; E128-N132 PolarHBondContact O-ND2 2.71Å |
| 129 | E | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176 | -73 | 170.8 | -167.9 | 0 | 0 | 111.7 | Q125 Q126 N131 N132 L133 | Q125-E129 WeakPolarHBondContact CG-OE1 3.39Å; Q125-E129 PolarHBondContact NE2-OE1 3.48Å; Q125-E129 WeakPolarHBondContact O-CG 3.32Å; Q125-E129 PolarHBondContact O-N 3.23Å; Q126-E129 PolarHBondContact O-N 2.8Å; E129-N131 PolarHBondContact O-N 3.17Å; E129-N132 PolarHBondContact O-N 2.96Å; E129-L133 WeakPolarHBondContact O-CB 3.47Å; E129-L133 PolarHBondContact O-N 3.07Å |
| 130 | E | 98.3 | Very high | 97.9 | Very high | 115 Ų | 115 | 108.6 Ų | 108.6 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.1 | -75.7 | -179.5 | -176.8 | 0 | 0 | 111.6 | Q126 N132 L133 L134 | Q126-E130 WeakPolarHBondContact O-CB 3.35Å; Q126-E130 WeakPolarHBondContact O-CG 3.48Å; Q126-E130 PolarHBondContact O-N 3.2Å; E130-N132 PolarHBondContact O-N 2.89Å; E130-L133 PolarHBondContact O-N 2.92Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 VanDerWaalsContact O-CG 3.22Å; E130-L134 WeakPolarHBondContact O-CG 3.47Å; E130-L134 PolarHBondContact O-N 2.98Å |
| 131 | N | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 109.2 Ų | 109.2 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.7 | -165.2 | -89.5 | 0 | 0 | 0 | 111.6 | L127 E128 E129 L134 R135 | L127-N131 VanDerWaalsContact O-CB 3.26Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.36Å; E128-N131 PolarHBondContact O-N 2.99Å; E129-N131 PolarHBondContact O-N 3.17Å; N131-L134 PolarHBondContact O-N 2.72Å; N131-R135 WeakPolarHBondContact O-CG 3.36Å; N131-R135 PolarHBondContact O-N 3.36Å; N131-R135 PolarHBondContact OD1-NE 2.96Å; N131-R135 PolarHBondContact OD1-NH1 3.24Å; N131-R135 PolarHBondContact OD1-NH2 2.77Å |
| 132 | N | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.6 | -70.4 | -26.3 | 0 | 0 | 0 | 111.6 | E128 E129 E130 L134 R135 L136 | E128-N132 WeakPolarHBondContact O-CB 3.36Å; E128-N132 VanDerWaalsContact O-CG 3.23Å; E128-N132 PolarHBondContact O-N 3.4Å; E128-N132 PolarHBondContact O-ND2 2.71Å; E129-N132 PolarHBondContact O-N 2.96Å; E130-N132 PolarHBondContact O-N 2.89Å; N132-L134 VanDerWaalsContact C-N 3.35Å; N132-L134 PolarHBondContact O-N 3.47Å; N132-R135 PolarHBondContact O-N 2.85Å; N132-L136 WeakPolarHBondContact O-CG 3.41Å; N132-L136 PolarHBondContact O-N 2.65Å |
| 133 | L | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.1 | 178.1 | 63.2 | 0 | 0 | 0 | 111.9 | E129 E130 R135 L136 K137 | E129-L133 WeakPolarHBondContact O-CB 3.47Å; E129-L133 PolarHBondContact O-N 3.07Å; E130-L133 PolarHBondContact O-N 2.92Å; L133-R135 VanDerWaalsContact C-N 3.35Å; L133-L136 PolarHBondContact O-N 3.48Å; L133-K137 HydrophobicContact CG-CD 4.45Å; L133-K137 WeakPolarHBondContact O-CG 3.36Å; L133-K137 PolarHBondContact O-N 3.33Å |
| 134 | L | 98.8 | Very high | 98.5 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.2 | -74 | 170.9 | 0 | 0 | 0 | 111.5 | E130 N131 N132 K137 V138 | E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 VanDerWaalsContact O-CG 3.22Å; E130-L134 WeakPolarHBondContact O-CG 3.47Å; E130-L134 PolarHBondContact O-N 2.98Å; N131-L134 PolarHBondContact O-N 2.72Å; N132-L134 VanDerWaalsContact C-N 3.35Å; N132-L134 PolarHBondContact O-N 3.47Å; L134-K137 PolarHBondContact O-N 2.66Å; L134-V138 WeakPolarHBondContact O-CG2 3.49Å; L134-V138 PolarHBondContact O-N 2.92Å |
| 135 | R | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 101.4 Ų | 101.4 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.3 | -50 | 173.7 | -73.9 | 177.2 | 177.8 | 150.5 | 0.7 | 111.6 | N131 N132 L133 K137 V138 D139 | N131-R135 WeakPolarHBondContact O-CG 3.36Å; N131-R135 PolarHBondContact O-N 3.36Å; N131-R135 PolarHBondContact OD1-NE 2.96Å; N131-R135 PolarHBondContact OD1-NH1 3.24Å; N131-R135 PolarHBondContact OD1-NH2 2.77Å; N132-R135 PolarHBondContact O-N 2.85Å; L133-R135 VanDerWaalsContact C-N 3.35Å; R135-K137 VanDerWaalsContact C-N 3.29Å; R135-K137 PolarHBondContact O-N 2.77Å; R135-V138 WeakPolarHBondContact O-CB 3.27Å; R135-V138 PolarHBondContact O-N 3.12Å; R135-V138 VanDerWaalsContact O-N 3.07Å; R135-D139 PolarHBondContact O-N 2.97Å |
| 136 | L | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 99.6 Ų | 99.6 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 177 | -73.1 | 170.2 | 0 | 0 | 0 | 112.7 | N132 L133 V138 D139 I140 | N132-L136 WeakPolarHBondContact O-CG 3.41Å; N132-L136 PolarHBondContact O-N 2.65Å; L133-L136 PolarHBondContact O-N 3.48Å; L136-V138 VanDerWaalsContact C-N 3.34Å; L136-V138 PolarHBondContact O-N 2.94Å; L136-D139 PolarHBondContact O-N 3.04Å; L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.33Å; L136-I140 PolarHBondContact O-N 2.65Å |
| 137 | K | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 99.9 Ų | 99.9 | 47% | 0.474 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 176 | -76.9 | 177.9 | 177.2 | -179.2 | 0 | 112.1 | L133 L134 R135 L141 | L133-K137 HydrophobicContact CG-CD 4.45Å; L133-K137 WeakPolarHBondContact O-CG 3.36Å; L133-K137 PolarHBondContact O-N 3.33Å; L134-K137 PolarHBondContact O-N 2.66Å; R135-K137 VanDerWaalsContact C-N 3.29Å; R135-K137 PolarHBondContact O-N 2.77Å; K137-L141 VanDerWaalsContact O-CB 3.31Å; K137-L141 WeakPolarHBondContact O-CB 3.3Å; K137-L141 WeakPolarHBondContact O-CD1 3.24Å; K137-L141 WeakPolarHBondContact O-CG 3.36Å; K137-L141 PolarHBondContact O-N 3.48Å |
| 138 | V | 98.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | L134 R135 L136 I140 L141 L142 | L134-V138 WeakPolarHBondContact O-CG2 3.49Å; L134-V138 PolarHBondContact O-N 2.92Å; R135-V138 WeakPolarHBondContact O-CB 3.27Å; R135-V138 PolarHBondContact O-N 3.12Å; R135-V138 VanDerWaalsContact O-N 3.07Å; L136-V138 VanDerWaalsContact C-N 3.34Å; L136-V138 PolarHBondContact O-N 2.94Å; V138-I140 PolarHBondContact O-N 3.1Å; V138-L141 PolarHBondContact O-N 2.97Å; V138-L142 HydrophobicContact CG1-CD1 3.95Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CG 3.31Å; V138-L142 PolarHBondContact O-N 2.8Å |
| 139 | D | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 96.9 Ų | 96.9 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | -180 | -64 | -22.3 | 0 | 0 | 0 | 111.4 | R135 L136 L141 L142 D143 | R135-D139 PolarHBondContact O-N 2.97Å; L136-D139 PolarHBondContact O-N 3.04Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 2.79Å; D139-L142 WeakPolarHBondContact O-CB 3.35Å; D139-L142 PolarHBondContact O-N 2.77Å; D139-D143 PolarHBondContact O-N 2.79Å |
| 140 | I | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 94 Ų | 94 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.4 | -65.1 | 165.4 | 0 | 0 | 0 | 111.5 | L136 V138 L142 D143 M144 | L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.33Å; L136-I140 PolarHBondContact O-N 2.65Å; V138-I140 PolarHBondContact O-N 3.1Å; I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 PolarHBondContact O-N 3.44Å; I140-D143 PolarHBondContact O-N 3.49Å; I140-M144 HydrophobicContact CG2-CE 4.07Å; I140-M144 HydrophobicContact CG2-CG 4.47Å; I140-M144 HydrophobicContact CG2-SD 4.36Å; I140-M144 WeakPolarHBondContact O-CG 3.39Å; I140-M144 PolarHBondContact O-N 3.28Å |
| 141 | L | 98.8 | Very high | 98.5 | Very high | 95 Ų | 95 | 93.5 Ų | 93.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.1 | -77.3 | 166.3 | 0 | 0 | 0 | 111.7 | K137 V138 D139 M144 L145 | K137-L141 VanDerWaalsContact O-CB 3.31Å; K137-L141 WeakPolarHBondContact O-CB 3.3Å; K137-L141 WeakPolarHBondContact O-CD1 3.24Å; K137-L141 WeakPolarHBondContact O-CG 3.36Å; K137-L141 PolarHBondContact O-N 3.48Å; V138-L141 PolarHBondContact O-N 2.97Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 2.79Å; L141-M144 HydrophobicContact CD2-CE 3.54Å; L141-M144 HydrophobicContact CG-CE 4.17Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 3.41Å |
| 142 | L | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 93.3 Ų | 93.3 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 174.9 | -71.8 | 172.1 | 0 | 0 | 0 | 111.4 | V138 D139 I140 L145 S146 | V138-L142 HydrophobicContact CG1-CD1 3.95Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CG 3.31Å; V138-L142 PolarHBondContact O-N 2.8Å; D139-L142 WeakPolarHBondContact O-CB 3.35Å; D139-L142 PolarHBondContact O-N 2.77Å; I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 PolarHBondContact O-N 3.44Å; L142-L145 PolarHBondContact O-N 3.28Å; L142-S146 WeakPolarHBondContact O-CB 3.27Å; L142-S146 PolarHBondContact O-N 2.87Å; L142-S146 PolarHBondContact O-OG 3.2Å |
| 143 | D | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.9 | -50.6 | 174.9 | -72 | -17.8 | 0 | 0 | 0 | 110.8 | D139 I140 L145 S146 E147 | D139-D143 PolarHBondContact O-N 2.79Å; I140-D143 PolarHBondContact O-N 3.49Å; D143-L145 VanDerWaalsContact C-N 3.35Å; D143-L145 PolarHBondContact O-N 2.9Å; D143-S146 PolarHBondContact O-N 3.48Å; D143-S146 VanDerWaalsContact O-N 3.14Å; D143-S146 PolarHBondContact O-OG 3.16Å; D143-E147 PolarHBondContact O-N 3.33Å |
| 144 | M | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 178.7 | -70.4 | -173.6 | -57.2 | 0 | 0 | 112.8 | I140 L141 S148 | I140-M144 HydrophobicContact CG2-CE 4.07Å; I140-M144 HydrophobicContact CG2-CG 4.47Å; I140-M144 HydrophobicContact CG2-SD 4.36Å; I140-M144 WeakPolarHBondContact O-CG 3.39Å; I140-M144 PolarHBondContact O-N 3.28Å; L141-M144 HydrophobicContact CD2-CE 3.54Å; L141-M144 HydrophobicContact CG-CE 4.17Å; M144-S148 WeakPolarHBondContact O-CB 3.44Å; M144-S148 PolarHBondContact O-N 3.4Å |
| 145 | L | 98.7 | Very high | 98.3 | Very high | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -39.8 | 175.7 | -74.8 | 172.3 | 0 | 0 | 0 | 111.6 | L141 L142 D143 T149 | L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 3.41Å; L142-L145 PolarHBondContact O-N 3.28Å; D143-L145 VanDerWaalsContact C-N 3.35Å; D143-L145 PolarHBondContact O-N 2.9Å; L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 2.94Å |
| 146 | S | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 93.6 Ų | 93.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.6 | 76 | 0 | 0 | 0 | 0 | 112.1 | L142 D143 T149 A150 | L142-S146 WeakPolarHBondContact O-CB 3.27Å; L142-S146 PolarHBondContact O-N 2.87Å; L142-S146 PolarHBondContact O-OG 3.2Å; D143-S146 PolarHBondContact O-N 3.48Å; D143-S146 VanDerWaalsContact O-N 3.14Å; D143-S146 PolarHBondContact O-OG 3.16Å; S146-T149 PolarHBondContact O-N 2.95Å; S146-A150 WeakPolarHBondContact O-CB 3.17Å; S146-A150 PolarHBondContact O-N 3.29Å |
| 147 | E | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 94.8 Ų | 94.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -50.9 | 174.1 | -177.1 | 173.8 | -134.5 | 0 | 0 | 110.7 | D143 T149 A150 E151 | D143-E147 PolarHBondContact O-N 3.33Å; E147-T149 VanDerWaalsContact C-N 3.29Å; E147-T149 PolarHBondContact O-N 2.96Å; E147-A150 WeakPolarHBondContact O-CB 3.39Å; E147-A150 PolarHBondContact O-N 3.07Å; E147-A150 VanDerWaalsContact O-N 3.11Å; E147-E151 WeakPolarHBondContact O-CG 3.46Å; E147-E151 PolarHBondContact O-N 3.32Å |
| 148 | S | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 95.5 Ų | 95.5 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | M144 S152 | M144-S148 WeakPolarHBondContact O-CB 3.44Å; M144-S148 PolarHBondContact O-N 3.4Å; S148-S152 WeakPolarHBondContact O-CB 3.49Å; S148-S152 PolarHBondContact O-N 3.11Å |
| 149 | T | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 96.3 Ų | 96.3 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | L145 S146 E147 S152 H153 | L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 2.94Å; S146-T149 PolarHBondContact O-N 2.95Å; E147-T149 VanDerWaalsContact C-N 3.29Å; E147-T149 PolarHBondContact O-N 2.96Å; T149-S152 PolarHBondContact O-N 2.9Å; T149-H153 PolarHBondContact O-CD2 3.22Å; T149-H153 PolarHBondContact O-N 3.22Å |
| 150 | A | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S146 E147 S152 H153 L154 | S146-A150 WeakPolarHBondContact O-CB 3.17Å; S146-A150 PolarHBondContact O-N 3.29Å; E147-A150 WeakPolarHBondContact O-CB 3.39Å; E147-A150 PolarHBondContact O-N 3.07Å; E147-A150 VanDerWaalsContact O-N 3.11Å; A150-S152 PolarHBondContact O-N 3.06Å; A150-H153 PolarHBondContact O-N 3.05Å; A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 3.22Å |
| 151 | E | 97.9 | Very high | 97.7 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 174.5 | -72.6 | -175.6 | 166.1 | 0 | 0 | 111.8 | E147 H153 L154 M155 | E147-E151 WeakPolarHBondContact O-CG 3.46Å; E147-E151 PolarHBondContact O-N 3.32Å; E151-H153 VanDerWaalsContact C-N 3.34Å; E151-H153 PolarHBondContact O-N 2.96Å; E151-L154 PolarHBondContact O-N 3.02Å; E151-M155 WeakPolarHBondContact O-CG 3.15Å; E151-M155 PolarHBondContact O-N 3.28Å |
| 152 | S | 97.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 96.6 Ų | 96.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | S148 T149 A150 M155 E156 | S148-S152 WeakPolarHBondContact O-CB 3.49Å; S148-S152 PolarHBondContact O-N 3.11Å; T149-S152 PolarHBondContact O-N 2.9Å; A150-S152 PolarHBondContact O-N 3.06Å; S152-M155 PolarHBondContact O-N 3.06Å; S152-E156 WeakPolarHBondContact O-CB 3.46Å; S152-E156 PolarHBondContact O-N 3.39Å |
| 153 | H | 98 | Very high | 97.1 | Very high | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 177.8 | -74 | -49.3 | 0 | 0 | 0 | 113.4 | T149 A150 E151 E156 K157 | T149-H153 PolarHBondContact O-CD2 3.22Å; T149-H153 PolarHBondContact O-N 3.22Å; A150-H153 PolarHBondContact O-N 3.05Å; E151-H153 VanDerWaalsContact C-N 3.34Å; E151-H153 PolarHBondContact O-N 2.96Å; H153-E156 IonicContact ND1-OE2 3.54Å; H153-K157 WeakPolarHBondContact O-CB 3.29Å; H153-K157 PolarHBondContact O-N 3.06Å; H153-K157 VanDerWaalsContact O-N 3.08Å |
| 154 | L | 97.8 | Very high | 96.9 | Very high | 108 Ų | 108 | 97.5 Ų | 97.5 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 173.8 | -71.9 | 172.9 | 0 | 0 | 0 | 111 | A150 E151 E156 K157 E158 | A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 3.22Å; E151-L154 PolarHBondContact O-N 3.02Å; L154-E156 PolarHBondContact O-N 3.14Å; L154-K157 PolarHBondContact O-N 3.37Å; L154-E158 WeakPolarHBondContact O-CG 3.5Å; L154-E158 PolarHBondContact O-N 3.42Å |
| 155 | M | 96.8 | Very high | 96.6 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.3 | -71.1 | -172.9 | -71.6 | 0 | 0 | 112.6 | E151 S152 K157 E158 L159 | E151-M155 WeakPolarHBondContact O-CG 3.15Å; E151-M155 PolarHBondContact O-N 3.28Å; S152-M155 PolarHBondContact O-N 3.06Å; M155-K157 VanDerWaalsContact C-N 3.34Å; M155-E158 PolarHBondContact O-N 3.37Å; M155-L159 WeakPolarHBondContact O-CG 3.45Å; M155-L159 PolarHBondContact O-N 3Å |
| 156 | E | 97 | Very high | 96 | Very high | 107 Ų | 107 | 100.5 Ų | 100.5 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.2 | -176.2 | 172.4 | -152.6 | 0 | 0 | 111.3 | S152 H153 L154 L159 D160 | S152-E156 WeakPolarHBondContact O-CB 3.46Å; S152-E156 PolarHBondContact O-N 3.39Å; H153-E156 IonicContact ND1-OE2 3.54Å; L154-E156 PolarHBondContact O-N 3.14Å; E156-L159 PolarHBondContact O-N 2.8Å; E156-D160 PolarHBondContact O-N 3.4Å |
| 157 | K | 97.2 | Very high | 95.3 | Very high | 127 Ų | 127 | 105.9 Ų | 105.9 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 177 | -173.4 | -177.7 | 175.3 | -170.7 | 0 | 112.2 | H153 L154 M155 L159 D160 E161 | H153-K157 WeakPolarHBondContact O-CB 3.29Å; H153-K157 PolarHBondContact O-N 3.06Å; H153-K157 VanDerWaalsContact O-N 3.08Å; L154-K157 PolarHBondContact O-N 3.37Å; M155-K157 VanDerWaalsContact C-N 3.34Å; K157-L159 VanDerWaalsContact C-N 3.33Å; K157-L159 PolarHBondContact O-N 3.12Å; K157-D160 PolarHBondContact O-N 3.36Å; K157-E161 VanDerWaalsContact CE-OE1 3.3Å; K157-E161 WeakPolarHBondContact CE-OE1 3.38Å; K157-E161 WeakPolarHBondContact O-CG 3.45Å; K157-E161 PolarHBondContact O-N 3.3Å |
| 158 | E | 96.6 | Very high | 94.4 | Very high | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 176.5 | -72.7 | 179.1 | 180 | 0 | 0 | 111.9 | L154 M155 D160 E161 L162 | L154-E158 WeakPolarHBondContact O-CG 3.5Å; L154-E158 PolarHBondContact O-N 3.42Å; M155-E158 PolarHBondContact O-N 3.37Å; E158-D160 VanDerWaalsContact C-N 3.34Å; E158-D160 PolarHBondContact O-N 3.38Å; E158-E161 PolarHBondContact O-N 3.41Å; E158-L162 VanDerWaalsContact O-CG 3.31Å; E158-L162 WeakPolarHBondContact O-CG 3.45Å; E158-L162 PolarHBondContact O-N 2.93Å |
| 159 | L | 96.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 118.4 Ų | 118.4 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -42.1 | 175.6 | -79.9 | 172.5 | 0 | 0 | 0 | 112.3 | M155 E156 K157 L162 R163 | M155-L159 WeakPolarHBondContact O-CG 3.45Å; M155-L159 PolarHBondContact O-N 3Å; E156-L159 PolarHBondContact O-N 2.8Å; K157-L159 VanDerWaalsContact C-N 3.33Å; K157-L159 PolarHBondContact O-N 3.12Å; L159-L162 PolarHBondContact O-N 3.14Å; L159-R163 WeakPolarHBondContact O-CB 3.31Å; L159-R163 VanDerWaalsContact O-CG 3.27Å; L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 3.06Å |
| 160 | D | 95.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 120.7 Ų | 120.7 | 36% | 0.358 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -39.2 | 179 | -78.8 | -13.8 | 0 | 0 | 0 | 112.3 | E156 K157 E158 L162 R163 I164 | E156-D160 PolarHBondContact O-N 3.4Å; K157-D160 PolarHBondContact O-N 3.36Å; E158-D160 VanDerWaalsContact C-N 3.34Å; E158-D160 PolarHBondContact O-N 3.38Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 2.83Å; D160-R163 PolarHBondContact O-N 2.72Å; D160-R163 IonicContact OD1-CZ 2.66Å; D160-R163 IonicContact OD1-NH1 2.77Å; D160-R163 PolarHBondContact OD1-NH1 3.33Å; D160-I164 VanDerWaalsContact O-CG1 3.24Å; D160-I164 WeakPolarHBondContact O-CG1 3.19Å; D160-I164 PolarHBondContact O-N 2.91Å |
| 161 | E | 95.4 | Very high | 91.9 | Very high | 111 Ų | 111 | 124.3 Ų | 124.3 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -44.1 | 171.8 | -73.2 | -178.7 | -170.4 | 0 | 0 | 111.6 | K157 E158 I164 S165 | K157-E161 VanDerWaalsContact CE-OE1 3.3Å; K157-E161 WeakPolarHBondContact CE-OE1 3.38Å; K157-E161 WeakPolarHBondContact O-CG 3.45Å; K157-E161 PolarHBondContact O-N 3.3Å; E158-E161 PolarHBondContact O-N 3.41Å; E161-I164 PolarHBondContact O-N 2.93Å; E161-S165 WeakPolarHBondContact O-CB 3.18Å; E161-S165 PolarHBondContact O-N 3.36Å |
| 162 | L | 94.1 | Very high | 91.6 | Very high | 102 Ų | 102 | 125.3 Ų | 125.3 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.1 | -41.9 | 175.1 | -71.7 | 174.6 | 0 | 0 | 0 | 112.1 | E158 L159 D160 S165 R166 | E158-L162 VanDerWaalsContact O-CG 3.31Å; E158-L162 WeakPolarHBondContact O-CG 3.45Å; E158-L162 PolarHBondContact O-N 2.93Å; L159-L162 PolarHBondContact O-N 3.14Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 2.83Å; L162-S165 PolarHBondContact O-N 3.44Å; L162-S165 PolarHBondContact O-OG 2.9Å; L162-R166 PolarHBondContact O-N 3.16Å |
| 163 | R | 92.3 | Very high | 91.2 | Very high | 149 Ų | 149 | 128.9 Ų | 128.9 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.8 | -43 | 175.4 | -75.9 | 168.5 | 175.5 | 163.1 | -1.4 | 111.8 | L159 D160 R166 K167 | L159-R163 WeakPolarHBondContact O-CB 3.31Å; L159-R163 VanDerWaalsContact O-CG 3.27Å; L159-R163 WeakPolarHBondContact O-CG 3.42Å; L159-R163 PolarHBondContact O-N 3.06Å; D160-R163 PolarHBondContact O-N 2.72Å; D160-R163 IonicContact OD1-CZ 2.66Å; D160-R163 IonicContact OD1-NH1 2.77Å; D160-R163 PolarHBondContact OD1-NH1 3.33Å; R163-R166 PolarHBondContact O-N 2.87Å; R163-K167 WeakPolarHBondContact O-CG 3.22Å; R163-K167 PolarHBondContact O-N 3.24Å |
| 164 | I | 93.7 | Very high | 90.8 | Very high | 77 Ų | 77 | 130.1 Ų | 130.1 | 40% | 0.395 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.5 | -43.7 | 176.9 | -68.1 | 164.3 | 0 | 0 | 0 | 110.3 | D160 E161 R166 K167 R168 | D160-I164 VanDerWaalsContact O-CG1 3.24Å; D160-I164 WeakPolarHBondContact O-CG1 3.19Å; D160-I164 PolarHBondContact O-N 2.91Å; E161-I164 PolarHBondContact O-N 2.93Å; I164-R166 PolarHBondContact O-N 3.1Å; I164-K167 PolarHBondContact O-N 3.04Å; I164-R168 WeakPolarHBondContact O-CG 3.48Å; I164-R168 PolarHBondContact O-N 2.99Å |
| 165 | S | 91.9 | Very high | 90.3 | Very high | 60 Ų | 60 | 131.5 Ų | 131.5 | 42% | 0.42 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62 | -40.2 | 179.1 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | E161 L162 R168 | E161-S165 WeakPolarHBondContact O-CB 3.18Å; E161-S165 PolarHBondContact O-N 3.36Å; L162-S165 PolarHBondContact O-N 3.44Å; L162-S165 PolarHBondContact O-OG 2.9Å; S165-R168 PolarHBondContact O-N 2.89Å |
| 166 | R | 87.1 | Confident | 89.8 | Confident | 205 Ų | 205 | 133.1 Ų | 133.1 | 77% | 0.774 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.6 | -36.4 | 175.5 | -76.2 | -174.1 | -172.9 | -177.5 | 3.7 | 113 | L162 R163 I164 R168 K169 | L162-R166 PolarHBondContact O-N 3.16Å; R163-R166 PolarHBondContact O-N 2.87Å; I164-R166 PolarHBondContact O-N 3.1Å; R166-R168 VanDerWaalsContact C-N 3.27Å; R166-R168 PolarHBondContact O-N 3.27Å; R166-K169 PolarHBondContact O-N 2.97Å |
| 167 | K | 83.9 | Confident | 89.3 | Confident | 185 Ų | 185 | 135.2 Ų | 135.2 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.1 | -20.9 | 178.9 | -74.8 | -178.9 | 179.1 | -179.4 | 0 | 113.7 | R163 I164 | R163-K167 WeakPolarHBondContact O-CG 3.22Å; R163-K167 PolarHBondContact O-N 3.24Å; I164-K167 PolarHBondContact O-N 3.04Å |
| 168 | R | 78.8 | Confident | 88.6 | Confident | 207 Ų | 207 | 135.8 Ų | 135.8 | 78% | 0.781 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -3.6 | -179.5 | -71.1 | 178.6 | 179.5 | 149 | 1.1 | 113.5 | I164 S165 R166 | I164-R168 WeakPolarHBondContact O-CG 3.48Å; I164-R168 PolarHBondContact O-N 2.99Å; S165-R168 PolarHBondContact O-N 2.89Å; R166-R168 VanDerWaalsContact C-N 3.27Å; R166-R168 PolarHBondContact O-N 3.27Å |
| 169 | K | 58.2 | Low | 87.9 | Confident | 247 Ų | 247 | 136.8 Ų | 136.8 | 100% | 1.074 | 61% | 0.611 | S | S | * | * | trans | -111 | 0 | -176.7 | -143.5 | 178.9 | -170.1 | 178.7 | 0 | 109.6 | R166 | R166-K169 PolarHBondContact O-N 2.97Š|
Retrieved 169 of 169 residues in 82.5 ms
(Link to these results)