| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 32.7 | Very low | 246 Ų | 246 | 173.2 Ų | 173.2 | 100% | 1.212 | 83% | 0.826 | S | S | * | * | 0 | 113.5 | 0 | -159.6 | 167.3 | 171.7 | 0 | 0 | 106.2 | |||||
| 2 | Y | 28.3 | Very low | 32.7 | Very low | 216 Ų | 216 | 173.3 Ų | 173.3 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 151.1 | -161.7 | -61.5 | -90.5 | 0 | 0 | 0 | 114 | ||||
| 3 | V | 27.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 169.8 Ų | 169.8 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | -146.5 | 125.3 | 117.9 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 4 | V | 32.3 | Very low | 32.4 | Very low | 99 Ų | 99 | 167.6 Ų | 167.6 | 60% | 0.6 | 82% | 0.816 | S | S | * | * | trans | -70.7 | 125.9 | 170.1 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | V | 33.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 161.6 Ų | 161.6 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -93.9 | 99.4 | 169.6 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | Y7 | V5-Y7 HydrophobicContact CG1-CD2 3.89Å; V5-Y7 HydrophobicContact CG1-CE2 3.68Å; V5-Y7 PolarHBondContact O-N 3.31Å | ||
| 6 | N | 31.6 | Very low | 32 | Very low | 133 Ų | 133 | 162.1 Ų | 162.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -73.2 | 114.1 | 169 | -76.2 | -72.4 | 0 | 0 | 0 | 109.3 | ||||
| 7 | Y | 28.8 | Very low | 31.9 | Very low | 207 Ų | 207 | 161.7 Ų | 161.7 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 97.5 | 166.2 | -90.2 | -87.6 | 0 | 0 | 0 | 109.8 | V5 R9 | V5-Y7 HydrophobicContact CG1-CD2 3.89Å; V5-Y7 HydrophobicContact CG1-CE2 3.68Å; V5-Y7 PolarHBondContact O-N 3.31Å; Y7-R9 PolarHBondContact O-N 3.22Å | ||
| 8 | T | 36.8 | Very low | 32 | Very low | 136 Ų | 136 | 161.7 Ų | 161.7 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -87 | 85.5 | 164.6 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | R10 | T8-R10 PolarHBondContact O-N 2.77Š| ||
| 9 | R | 37.3 | Very low | 32 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -88.3 | 104.1 | 161.4 | -109.3 | -172.4 | -177.4 | -162.6 | 2.5 | 108.6 | Y7 L11 | Y7-R9 PolarHBondContact O-N 3.22Å; R9-L11 PolarHBondContact O-N 2.88Å | ||
| 10 | R | 33.7 | Very low | 32.1 | Very low | 237 Ų | 237 | 155.3 Ų | 155.3 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -60.2 | 100.1 | 169.6 | -165.6 | 178.6 | -166.3 | 179.6 | 4.1 | 108.3 | T8 Q12 | T8-R10 PolarHBondContact O-N 2.77Å; R10-Q12 PolarHBondContact O-N 3.06Å | ||
| 11 | L | 35.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -64.5 | 110.5 | 169.5 | -68.7 | 166.9 | 0 | 0 | 0 | 107.8 | R9 T13 | R9-L11 PolarHBondContact O-N 2.88Å; L11-T13 PolarHBondContact O-N 3.18Å | ||
| 12 | Q | 32.4 | Very low | 32.1 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -79.8 | 98.5 | 158.6 | -81.7 | -178.3 | -18.6 | 0 | 0 | 107 | R10 L14 | R10-Q12 PolarHBondContact O-N 3.06Å; Q12-L14 PolarHBondContact O-N 3.26Å; Q12-L14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | T | 32 | Very low | 32.2 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -67.1 | 99.1 | 169.3 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | L11 A15 | L11-T13 PolarHBondContact O-N 3.18Å; T13-A15 PolarHBondContact O-N 3.38Å | ||
| 14 | L | 29.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 98.9 | 160.2 | -83 | 166.3 | 0 | 0 | 0 | 107.4 | Q12 F16 | Q12-L14 PolarHBondContact O-N 3.26Å; Q12-L14 VanDerWaalsContact O-N 3.09Å; L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CB-CE2 4.09Å; L14-F16 PolarHBondContact O-N 2.94Å; L14-F16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | A | 30.2 | Very low | 32.7 | Very low | 77 Ų | 77 | 153.2 Ų | 153.2 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 102.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | T13 N17 | T13-A15 PolarHBondContact O-N 3.38Å; A15-N17 PolarHBondContact O-N 3.45Å | ||
| 16 | F | 27.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 96.7 | 165.1 | -79.5 | -87.7 | 0 | 0 | 0 | 108.5 | L14 L18 | L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CB-CE2 4.09Å; L14-F16 PolarHBondContact O-N 2.94Å; L14-F16 VanDerWaalsContact O-N 3.15Å; F16-L18 PolarHBondContact O-N 3.12Å; F16-L18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | N | 30.4 | Very low | 33 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 92 | 166 | -74.4 | -63.8 | 0 | 0 | 0 | 108.2 | A15 G19 | A15-N17 PolarHBondContact O-N 3.45Å; N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.37Å | ||
| 18 | L | 33.8 | Very low | 33.1 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -79.7 | 88.6 | 163.9 | -72.9 | 168.4 | 0 | 0 | 0 | 107.5 | F16 S20 | F16-L18 PolarHBondContact O-N 3.12Å; F16-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 PolarHBondContact O-N 2.79Å | ||
| 19 | G | 30.7 | Very low | 32.8 | Very low | 66 Ų | 66 | 152.8 Ų | 152.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -64 | 127.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N17 S21 | N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.37Å; G19-S21 PolarHBondContact O-N 3.39Å; G19-S21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | S | 34 | Very low | 32.7 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 114.2 | 171.7 | -48 | 0 | 0 | 0 | 0 | 109.6 | L18 | L18-S20 PolarHBondContact O-N 2.79Š| ||
| 21 | S | 36.2 | Very low | 32.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -126 | 116.2 | 171.1 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | G19 Y23 | G19-S21 PolarHBondContact O-N 3.39Å; G19-S21 VanDerWaalsContact O-N 3.17Å; S21-Y23 PolarHBondContact O-N 3.32Å | ||
| 22 | C | 31.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -60.2 | 125.8 | -179.3 | -42.5 | 0 | 0 | 0 | 0 | 109.7 | H24 | C22-H24 PolarHBondContact O-N 3.1Š| ||
| 23 | Y | 31.3 | Very low | 32.6 | Very low | 232 Ų | 232 | 139 Ų | 139 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 94.2 | 178.4 | -68 | -83.4 | 0 | 0 | 0 | 110.7 | S21 | S21-Y23 PolarHBondContact O-N 3.32Š| ||
| 24 | H | 33 | Very low | 32.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -119.7 | 121.9 | 152.6 | -103 | -77.1 | 0 | 0 | 0 | 107.9 | C22 | C22-H24 PolarHBondContact O-N 3.1Š| ||
| 25 | Q | 37 | Very low | 32.8 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 33 | 116.9 | 159.4 | -70.3 | 176 | -12.4 | 0 | 0 | 118.5 | ||
| 26 | G | 33.7 | Very low | 32.8 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 117.6 | 113.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 27 | V | 37.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 40.7 | 96.1 | 146 | -168.8 | 0 | 0 | 0 | 0 | 116.2 | R29 | V27-R29 PolarHBondContact O-N 3.32Š| ||
| 28 | T | 31.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 107.2 | 169.6 | -40 | 0 | 0 | 0 | 0 | 110.2 | V30 | T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 PolarHBondContact O-N 3.23Å | ||
| 29 | R | 31 | Very low | 33.2 | Very low | 235 Ų | 235 | 144.7 Ų | 144.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 105.2 | 172 | -155.2 | 178.6 | -174 | -174.3 | 1.4 | 108 | V27 | V27-R29 PolarHBondContact O-N 3.32Š| ||
| 30 | V | 34.2 | Very low | 33.5 | Very low | 115 Ų | 115 | 153 Ų | 153 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | -96.7 | 112.6 | 171.9 | -178 | 0 | 0 | 0 | 0 | 108.2 | T28 I32 | T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 PolarHBondContact O-N 3.23Å; V30-I32 HydrophobicContact CG1-CG1 4.21Å | ||
| 31 | S | 31.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -100.5 | 110 | 172.3 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | I | 34.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 158 Ų | 158 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | trans | -89.2 | 109.4 | 172.3 | -57.1 | 175.5 | 0 | 0 | 0 | 107.6 | V30 | V30-I32 HydrophobicContact CG1-CG1 4.21Š| ||
| 33 | T | 34.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -90.8 | 102.7 | 169.2 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 34 | S | 31.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 155 Ų | 155 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -81.8 | 110.2 | 165.9 | 171 | 0 | 0 | 0 | 0 | 109 | D36 | S34-D36 PolarHBondContact O-N 3.32Š| ||
| 35 | Q | 33.5 | Very low | 32.9 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -83 | 94.7 | 167.8 | -78.5 | -173.8 | -7.3 | 0 | 0 | 109.2 | ||||
| 36 | D | 30.5 | Very low | 32.5 | Very low | 111 Ų | 111 | 152 Ų | 152 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -94.2 | 120.3 | 167.7 | -168.2 | 15.2 | 0 | 0 | 0 | 109.2 | S34 K38 | S34-D36 PolarHBondContact O-N 3.32Å; D36-K38 PolarHBondContact O-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CE 3.17Å | ||
| 37 | R | 35.4 | Very low | 32.7 | Very low | 244 Ų | 244 | 159 Ų | 159 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -73.1 | 102.5 | 176.3 | -77.3 | -174.6 | -170.6 | -176.1 | 3.4 | 108.4 | ||||
| 38 | K | 33.8 | Very low | 32.3 | Very low | 181 Ų | 181 | 162 Ų | 162 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 130.5 | 170.2 | -80.9 | -175.3 | 179 | 176.4 | 0 | 113.7 | D36 | D36-K38 PolarHBondContact O-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CE 3.17Å | ||
| 39 | S | 30.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 161.1 Ų | 161.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 156 | 165.5 | 65.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 40 | R | 36.4 | Very low | 32.8 | Very low | 240 Ų | 240 | 156.5 Ų | 156.5 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -58.3 | 129 | -176.7 | -65.3 | 172.7 | 170.2 | 178.5 | -4.6 | 111.8 | ||||
| 41 | Q | 34.1 | Very low | 33 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -159.7 | 129.2 | 141.1 | -105.9 | 167.6 | 39 | 0 | 0 | 109.9 | ||||
| 42 | N | 32.7 | Very low | 33.4 | Very low | 157 Ų | 157 | 160.4 Ų | 160.4 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 121.3 | -175.4 | -65.4 | -41.5 | 0 | 0 | 0 | 111 | ||||
| 43 | F | 29 | Very low | 33.7 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 132.9 | 157 | -80.7 | -80.7 | 0 | 0 | 0 | 110.4 | ||||
| 44 | S | 30.4 | Very low | 33.9 | Very low | 98 Ų | 98 | 159.3 Ų | 159.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -64 | 141.8 | -169.8 | 45.7 | 0 | 0 | 0 | 0 | 113.1 | F46 | S44-F46 PolarHBondContact O-N 2.93Å; S44-F46 VanDerWaalsContact O-N 3.12Å | ||
| 45 | C | 27.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 100.3 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 46 | F | 29.7 | Very low | 34.6 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | -99.8 | 113.7 | 160.1 | -97.5 | -86.1 | 0 | 0 | 0 | 109.1 | S44 W48 | S44-F46 PolarHBondContact O-N 2.93Å; S44-F46 VanDerWaalsContact O-N 3.12Å; F46-W48 PolarHBondContact O-N 2.95Å | ||
| 47 | R | 36.4 | Very low | 35 | Very low | 216 Ų | 216 | 159 Ų | 159 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 88.4 | -177.4 | -152.8 | 178.5 | 93.7 | -146 | 7.6 | 109.6 | ||||
| 48 | W | 28.9 | Very low | 35.3 | Very low | 205 Ų | 205 | 156 Ų | 156 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -96.5 | 88.9 | 167.1 | -85.7 | 58.2 | 0 | 0 | 0 | 108.9 | F46 H50 | F46-W48 PolarHBondContact O-N 2.95Å; W48-H50 AromaticContact CE3-CD2 3.68Å; W48-H50 PolarHBondContact O-N 3.1Å | ||
| 49 | T | 41 | Very low | 35.9 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 77.5 | 162.7 | 48 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 50 | H | 32.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | trans | -105 | 101.9 | 154.1 | -85.7 | -82.6 | 0 | 0 | 0 | 106.7 | W48 I52 | W48-H50 AromaticContact CE3-CD2 3.68Å; W48-H50 PolarHBondContact O-N 3.1Å; H50-I52 PolarHBondContact O-N 2.89Å | ||
| 51 | L | 37.9 | Very low | 37.6 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -59.2 | 88.9 | 161 | -77.2 | 158.7 | 0 | 0 | 0 | 107.1 | T53 | L51-T53 PolarHBondContact O-N 3.27Š| ||
| 52 | I | 41.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 150.5 Ų | 150.5 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | trans | -78.8 | 82.8 | 162.7 | -56.4 | 177.9 | 0 | 0 | 0 | 105 | H50 L54 | H50-I52 PolarHBondContact O-N 2.89Å; I52-L54 HydrophobicContact CG2-CD1 4.33Å; I52-L54 HydrophobicContact CG2-CG 3.86Å; I52-L54 PolarHBondContact O-N 3.05Å | ||
| 53 | T | 40.7 | Very low | 40.3 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -66.7 | 89.7 | 157.5 | -43 | 0 | 0 | 0 | 0 | 105.4 | L51 V55 | L51-T53 PolarHBondContact O-N 3.27Å; T53-V55 HydrophobicContact CG2-CG2 3.55Å; T53-V55 PolarHBondContact O-N 3.1Å | ||
| 54 | L | 37.9 | Very low | 42.3 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -67.6 | 77.1 | 158 | -88.4 | 161.9 | 0 | 0 | 0 | 106 | I52 H56 | I52-L54 HydrophobicContact CG2-CD1 4.33Å; I52-L54 HydrophobicContact CG2-CG 3.86Å; I52-L54 PolarHBondContact O-N 3.05Å; L54-H56 VanDerWaalsContact C-N 3.29Å; L54-H56 PolarHBondContact O-N 3.04Å | ||
| 55 | V | 42 | Very low | 44.5 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 58% | 0.582 | 73% | 0.728 | S | S | * | * | trans | -59.7 | 109.2 | 152 | -171.3 | 0 | 0 | 0 | 0 | 102.5 | T53 Q57 | T53-V55 HydrophobicContact CG2-CG2 3.55Å; T53-V55 PolarHBondContact O-N 3.1Å; V55-Q57 HydrophobicContact CG1-CG 4.42Å; V55-Q57 PolarHBondContact O-N 2.95Å | ||
| 56 | H | 37.9 | Very low | 46.8 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 63% | 0.634 | 73% | 0.729 | S | S | * | * | trans | -60.1 | 92.3 | 162 | -160.7 | 82.4 | 0 | 0 | 0 | 104.3 | L54 Y58 | L54-H56 VanDerWaalsContact C-N 3.29Å; L54-H56 PolarHBondContact O-N 3.04Å; H56-Y58 HydrophobicContact CB-CE2 4.35Å; H56-Y58 AromaticContact CD2-CD1 3.85Å; H56-Y58 AromaticContact CD2-CD2 3.82Å; H56-Y58 AromaticContact CD2-CE1 3.6Å; H56-Y58 AromaticContact CD2-CE2 3.57Å; H56-Y58 AromaticContact CD2-CG 3.96Å; H56-Y58 AromaticContact CD2-CZ 3.45Å; H56-Y58 VanDerWaalsContact CD2-CZ 3.45Å; H56-Y58 AromaticContact NE2-CE1 3.91Å; H56-Y58 PolarHBondContact O-N 3.34Å | ||
| 57 | Q | 39 | Very low | 49.2 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -67.2 | 83.7 | 171.9 | -80.1 | -178.8 | -14.1 | 0 | 0 | 104.3 | V55 S59 | V55-Q57 HydrophobicContact CG1-CG 4.42Å; V55-Q57 PolarHBondContact O-N 2.95Å; Q57-S59 VanDerWaalsContact C-N 3.31Å; Q57-S59 PolarHBondContact O-N 3.22Å | ||
| 58 | Y | 42.9 | Very low | 51.3 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | trans | -51.1 | 111.1 | 155.7 | -72.1 | -78.1 | 0 | 0 | 0 | 104.7 | H56 T60 | H56-Y58 HydrophobicContact CB-CE2 4.35Å; H56-Y58 AromaticContact CD2-CD1 3.85Å; H56-Y58 AromaticContact CD2-CD2 3.82Å; H56-Y58 AromaticContact CD2-CE1 3.6Å; H56-Y58 AromaticContact CD2-CE2 3.57Å; H56-Y58 AromaticContact CD2-CG 3.96Å; H56-Y58 AromaticContact CD2-CZ 3.45Å; H56-Y58 VanDerWaalsContact CD2-CZ 3.45Å; H56-Y58 AromaticContact NE2-CE1 3.91Å; H56-Y58 PolarHBondContact O-N 3.34Å; Y58-T60 VanDerWaalsContact C-N 3.33Å; Y58-T60 PolarHBondContact O-N 3.49Å | ||
| 59 | S | 44.8 | Very low | 53.9 | Low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | trans | -53.3 | 103.1 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | Q57 R61 | Q57-S59 VanDerWaalsContact C-N 3.31Å; Q57-S59 PolarHBondContact O-N 3.22Å; S59-R61 PolarHBondContact O-N 3.06Å | ||
| 60 | T | 51 | Low | 55.9 | Low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -74.8 | 25.3 | 176.1 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | Y58 I62 | Y58-T60 VanDerWaalsContact C-N 3.33Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-I62 PolarHBondContact O-N 3.34Å | ||
| 61 | R | 53.2 | Low | 58.3 | Low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -89.1 | 99.2 | 179.3 | -64.3 | -169.1 | -168.5 | -135 | 3.1 | 108.4 | S59 | S59-R61 PolarHBondContact O-N 3.06Š|
| 62 | I | 59.1 | Low | 60.4 | Low | 155 Ų | 155 | 131 Ų | 131 | 80% | 0.795 | 69% | 0.688 | S | S | * | * | trans | 75.9 | 73.6 | 170.1 | -42.5 | 170.4 | 0 | 0 | 0 | 112.5 | T60 N64 | T60-I62 PolarHBondContact O-N 3.34Å; I62-N64 PolarHBondContact O-N 3.41Å | ||
| 63 | S | 64.4 | Low | 62.3 | Low | 58 Ų | 58 | 135 Ų | 135 | 41% | 0.406 | 69% | 0.694 | S | S | . | * | trans | -52.8 | 124.3 | 150.8 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | S65 | S63-S65 PolarHBondContact O-N 3.18Š| ||
| 64 | N | 69.1 | Low | 64.2 | Low | 119 Ų | 119 | 138.1 Ų | 138.1 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -46.3 | 132.6 | 167.7 | -78.9 | -62.3 | 0 | 0 | 0 | 108.7 | I62 K66 V67 | I62-N64 PolarHBondContact O-N 3.41Å; N64-K66 PolarHBondContact O-N 3.12Å; N64-K66 VanDerWaalsContact O-N 3.11Å; N64-V67 HydrophobicContact CB-CG2 3.96Å; N64-V67 PolarHBondContact O-N 3.06Å | ||
| 65 | S | 76.9 | Confident | 66.4 | Low | 127 Ų | 127 | 136.5 Ų | 136.5 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -25 | 179.9 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | S63 V67 | S63-S65 PolarHBondContact O-N 3.18Å; S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.82Å |
| 66 | K | 77.2 | Confident | 68.6 | Low | 199 Ų | 199 | 134.3 Ų | 134.3 | 87% | 0.865 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -9.7 | 175.6 | -61 | -172.2 | 176.7 | -174.5 | 0 | 114 | N64 | N64-K66 PolarHBondContact O-N 3.12Å; N64-K66 VanDerWaalsContact O-N 3.11Å |
| 67 | V | 79 | Confident | 71 | Confident | 79 Ų | 79 | 132.6 Ų | 132.6 | 48% | 0.479 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -100.7 | 118.5 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | N64 S65 R69 | N64-V67 HydrophobicContact CB-CG2 3.96Å; N64-V67 PolarHBondContact O-N 3.06Å; S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.82Å; V67-R69 PolarHBondContact O-N 3.27Å |
| 68 | P | 81.9 | Confident | 73.4 | Confident | 86 Ų | 86 | 130 Ų | 130 | 56% | 0.558 | 67% | 0.67 | S | S | * | * | trans | -59.7 | 135.3 | 177.1 | -22.4 | 32.5 | 0 | 0 | 0 | 111.6 | V70 T72 | P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 WeakPolarHBondContact CB-O 2.97Å; P68-V70 PolarHBondContact O-N 3.19Å; P68-T72 WeakPolarHBondContact CB-OG1 3.38Å | ||
| 69 | R | 81.9 | Confident | 75.6 | Confident | 229 Ų | 229 | 126.7 Ų | 126.7 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -75.2 | -18.5 | 178.6 | -64.3 | -173.8 | 179.6 | -156.7 | 0.9 | 113.3 | V67 | V67-R69 PolarHBondContact O-N 3.27Š|
| 70 | V | 84.4 | Confident | 77.6 | Confident | 114 Ų | 114 | 127.2 Ų | 127.2 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -134.7 | 145.7 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | P68 T72 | P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 WeakPolarHBondContact CB-O 2.97Å; P68-V70 PolarHBondContact O-N 3.19Å; V70-T72 PolarHBondContact O-N 3.12Å; V70-T72 VanDerWaalsContact O-N 3.15Å; V70-T72 PolarHBondContact O-OG1 3.22Å |
| 71 | A | 82.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 121.8 Ų | 121.8 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | trans | -46.5 | 119.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W73 | A71-W73 HydrophobicContact CB-CD2 3.93Å; A71-W73 HydrophobicContact CB-CE3 3.81Å; A71-W73 HydrophobicContact CB-CH2 3.22Å; A71-W73 HydrophobicContact CB-CZ2 3.32Å; A71-W73 HydrophobicContact CB-CZ3 3.47Å; A71-W73 VanDerWaalsContact CB-CZ3 3.47Å | ||
| 72 | T | 82.6 | Confident | 81.3 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 63% | 0.632 | 61% | 0.605 | S | S | * | * | trans | -110.7 | 4.7 | -178.3 | -44.1 | 0 | 0 | 0 | 0 | 111.9 | P68 V70 E74 | P68-T72 WeakPolarHBondContact CB-OG1 3.38Å; V70-T72 PolarHBondContact O-N 3.12Å; V70-T72 VanDerWaalsContact O-N 3.15Å; V70-T72 PolarHBondContact O-OG1 3.22Å; T72-E74 PolarHBondContact O-N 3.42Å | ||
| 73 | W | 79.1 | Confident | 82.9 | Confident | 222 Ų | 222 | 111.5 Ų | 111.5 | 84% | 0.841 | 60% | 0.603 | S | S | * | * | trans | -73.5 | 123.8 | -177.2 | 50.3 | 85.6 | 0 | 0 | 0 | 111.5 | A71 | A71-W73 HydrophobicContact CB-CD2 3.93Å; A71-W73 HydrophobicContact CB-CE3 3.81Å; A71-W73 HydrophobicContact CB-CH2 3.22Å; A71-W73 HydrophobicContact CB-CZ2 3.32Å; A71-W73 HydrophobicContact CB-CZ3 3.47Å; A71-W73 VanDerWaalsContact CB-CZ3 3.47Å | ||
| 74 | E | 81.8 | Confident | 84.1 | Confident | 173 Ų | 173 | 112.9 Ų | 112.9 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | trans | -112.1 | 141 | 169.7 | -65.6 | -174.9 | 175.1 | 0 | 0 | 109.1 | T72 V76 | T72-E74 PolarHBondContact O-N 3.42Å; E74-V76 PolarHBondContact O-N 3.43Å | ||
| 75 | P | 83.7 | Confident | 84.9 | Confident | 120 Ų | 120 | 109.8 Ų | 109.8 | 78% | 0.779 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 133.1 | 176.5 | 27.8 | -32.4 | 0 | 0 | 0 | 110.2 | L77 | P75-L77 PolarHBondContact O-N 3.24Š|
| 76 | V | 87.8 | Confident | 85.5 | Confident | 49 Ų | 49 | 111.8 Ų | 111.8 | 30% | 0.297 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 134.4 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | E74 L81 Q121 V124 | E74-V76 PolarHBondContact O-N 3.43Å; V76-L81 HydrophobicContact CG1-CD2 3.63Å; V76-L81 HydrophobicContact CG1-CG 4.08Å; V76-Q121 HydrophobicContact CB-CG 4.39Å; V76-Q121 HydrophobicContact CG2-CB 4.22Å; V76-Q121 HydrophobicContact CG2-CG 4.29Å; V76-V124 HydrophobicContact CG1-CB 4.31Å; V76-V124 HydrophobicContact CG1-CG1 4.48Å; V76-V124 HydrophobicContact CG1-CG2 3.68Å |
| 77 | L | 88.9 | Confident | 86.2 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 132.9 | 178.5 | -62.9 | 179.4 | 0 | 0 | 0 | 110.7 | P75 S79 Q80 | P75-L77 PolarHBondContact O-N 3.24Å; L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.08Å; L77-Q80 HydrophobicContact CB-CG 4.21Å; L77-Q80 WeakPolarHBondContact O-CB 3.41Å; L77-Q80 PolarHBondContact O-N 2.94Å |
| 78 | E | 89.4 | Confident | 86.8 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -56.2 | -29.4 | 179.4 | -170 | 69 | -172.6 | 0 | 0 | 112.9 | Q80 L81 R117 | E78-Q80 PolarHBondContact O-N 3.27Å; E78-L81 PolarHBondContact O-N 3.15Å; E78-R117 VanDerWaalsContact CD-NH1 3.29Å; E78-R117 IonicContact OE1-CZ 2.83Å; E78-R117 IonicContact OE1-NE 3.94Å; E78-R117 PolarHBondContact OE1-NE 3.16Å; E78-R117 IonicContact OE1-NH1 2.87Å; E78-R117 PolarHBondContact OE1-NH1 2.91Å; E78-R117 IonicContact OE2-CZ 3.03Å; E78-R117 IonicContact OE2-NE 3.38Å; E78-R117 IonicContact OE2-NH1 2.82Å |
| 79 | S | 88.3 | Confident | 87.1 | Confident | 109 Ų | 109 | 102 Ų | 102 | 76% | 0.762 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -69.4 | -17.6 | 177.8 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | L77 | L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.08Å |
| 80 | Q | 88.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -92.8 | -14.9 | 178.1 | -62.1 | 174.3 | -1.5 | 0 | 0 | 112 | L77 E78 V124 | L77-Q80 HydrophobicContact CB-CG 4.21Å; L77-Q80 WeakPolarHBondContact O-CB 3.41Å; L77-Q80 PolarHBondContact O-N 2.94Å; E78-Q80 PolarHBondContact O-N 3.27Å; Q80-V124 HydrophobicContact CB-CG2 4.01Å |
| 81 | L | 90.4 | Very high | 87.9 | Confident | 21 Ų | 21 | 94.6 Ų | 94.6 | 11% | 0.11 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -83.9 | 152.7 | -177.3 | -61.7 | 179.3 | 0 | 0 | 0 | 111.1 | V76 E78 R117 D120 Q121 V124 | V76-L81 HydrophobicContact CG1-CD2 3.63Å; V76-L81 HydrophobicContact CG1-CG 4.08Å; E78-L81 PolarHBondContact O-N 3.15Å; L81-R117 VanDerWaalsContact CB-NH2 3.25Å; L81-D120 HydrophobicContact CD2-CB 4.5Å; L81-Q121 HydrophobicContact CD2-CG 4.22Å; L81-V124 HydrophobicContact CD2-CG2 4.08Å |
| 82 | P | 91.2 | Very high | 88.3 | Confident | 41 Ų | 41 | 92.3 Ų | 92.3 | 27% | 0.266 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 158.9 | 168.3 | 27 | -35.8 | 0 | 0 | 0 | 111.3 | R117 D120 | P82-R117 PolarHBondContact O-NH1 2.88Å; P82-R117 PolarHBondContact O-NH2 3.13Å; P82-R117 VanDerWaalsContact O-NH2 3.13Å; P82-D120 HydrophobicContact CG-CB 3.79Å |
| 83 | P | 91.8 | Very high | 88.5 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 75% | 0.747 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 141.4 | 174.6 | -24.5 | 33.6 | 0 | 0 | 0 | 111.3 | C85 | P83-C85 PolarHBondContact O-N 3.09Š|
| 84 | P | 89.3 | Confident | 89.1 | Confident | 86 Ų | 86 | 83.8 Ų | 83.8 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 128.2 | 177.3 | -26.8 | 34.1 | 0 | 0 | 0 | 111.9 | Q86 | P84-Q86 PolarHBondContact O-N 3.36Š|
| 85 | C | 86.8 | Confident | 89.7 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 37% | 0.365 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 124.3 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | P83 I116 | P83-C85 PolarHBondContact O-N 3.09Å; C85-I116 HydrophobicContact CB-CG2 3.73Å |
| 86 | Q | 89.9 | Confident | 89.9 | Confident | 170 Ų | 170 | 72.9 Ų | 72.9 | 79% | 0.794 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 118.2 | 161.8 | -66.4 | -176 | 12.9 | 0 | 0 | 107.7 | P84 P88 | P84-Q86 PolarHBondContact O-N 3.36Å; Q86-P88 VanDerWaalsContact O-CD 3.31Å; Q86-P88 WeakPolarHBondContact O-CD 3.26Å |
| 87 | V | 90.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | trans | -81.6 | 115.4 | -175.1 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | L91 V92 L109 L112 E113 I116 | V87-L91 HydrophobicContact CG1-CB 4.22Å; V87-L91 HydrophobicContact CG1-CD2 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.12Å; V87-V92 HydrophobicContact CB-CG2 4.44Å; V87-V92 HydrophobicContact CG1-CG2 3.66Å; V87-L109 HydrophobicContact CB-CD1 3.93Å; V87-L109 HydrophobicContact CG1-CD1 4.46Å; V87-L112 HydrophobicContact CG1-CD2 4.12Å; V87-L112 HydrophobicContact CG2-CD2 4.09Å; V87-L112 HydrophobicContact CG2-CG 4.33Å; V87-E113 HydrophobicContact CG2-CG 4.03Å; V87-I116 HydrophobicContact CG2-CD1 3.79Å | ||
| 88 | P | 92 | Very high | 90 | Very high | 74 Ų | 74 | 78.7 Ų | 78.7 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | trans | -67.8 | 148.5 | 179.9 | 27.8 | -33.1 | 0 | 0 | 0 | 110.5 | Q86 D90 L91 V92 | Q86-P88 VanDerWaalsContact O-CD 3.31Å; Q86-P88 WeakPolarHBondContact O-CD 3.26Å; P88-D90 PolarHBondContact O-N 3.4Å; P88-L91 HydrophobicContact CG-CB 3.74Å; P88-L91 HydrophobicContact CG-CD2 4.46Å; P88-L91 WeakPolarHBondContact O-CA 3.46Å; P88-L91 WeakPolarHBondContact O-CB 3.31Å; P88-L91 PolarHBondContact O-N 3.41Å; P88-V92 PolarHBondContact O-N 3.18Å; P88-V92 VanDerWaalsContact O-N 3.14Å | ||
| 89 | V | 88.6 | Confident | 90.1 | Very high | 73 Ų | 73 | 76 Ų | 76 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.3 | -39.6 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 112 | L91 V92 D93 | V89-L91 PolarHBondContact O-N 3.2Å; V89-V92 WeakPolarHBondContact O-CB 3.19Å; V89-V92 PolarHBondContact O-N 3.28Å; V89-V92 VanDerWaalsContact O-N 3.14Å; V89-D93 PolarHBondContact O-N 3.32Å; V89-D93 VanDerWaalsContact O-OD1 3.11Å |
| 90 | D | 90.6 | Very high | 90 | Very high | 115 Ų | 115 | 77.8 Ų | 77.8 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.3 | -28.4 | 179.5 | -57.4 | -23.9 | 0 | 0 | 0 | 112.6 | P88 K94 R182 | P88-D90 PolarHBondContact O-N 3.4Å; D90-K94 PolarHBondContact O-N 3.41Å; D90-K94 VanDerWaalsContact O-N 3.15Å; D90-R182 IonicContact OD1-NH1 3.42Å; D90-R182 PolarHBondContact OD1-NH1 2.84Å |
| 91 | L | 92.4 | Very high | 90 | Very high | 71 Ų | 71 | 76.8 Ų | 76.8 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.6 | -41.3 | 173.8 | 179.6 | 58.3 | 0 | 0 | 0 | 111 | V87 P88 V89 D93 K94 L95 | V87-L91 HydrophobicContact CG1-CB 4.22Å; V87-L91 HydrophobicContact CG1-CD2 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.12Å; P88-L91 HydrophobicContact CG-CB 3.74Å; P88-L91 HydrophobicContact CG-CD2 4.46Å; P88-L91 WeakPolarHBondContact O-CA 3.46Å; P88-L91 WeakPolarHBondContact O-CB 3.31Å; P88-L91 PolarHBondContact O-N 3.41Å; V89-L91 PolarHBondContact O-N 3.2Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.39Å; L91-K94 PolarHBondContact O-N 3.19Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 HydrophobicContact CG-CD1 4.08Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.34Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å |
| 92 | V | 91.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.055 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -55.2 | -47.7 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | V87 P88 V89 K94 L95 E96 F103 R104 L109 | V87-V92 HydrophobicContact CB-CG2 4.44Å; V87-V92 HydrophobicContact CG1-CG2 3.66Å; P88-V92 PolarHBondContact O-N 3.18Å; P88-V92 VanDerWaalsContact O-N 3.14Å; V89-V92 WeakPolarHBondContact O-CB 3.19Å; V89-V92 PolarHBondContact O-N 3.28Å; V89-V92 VanDerWaalsContact O-N 3.14Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.14Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.13Å; V92-E96 HydrophobicContact CG1-CG 4.49Å; V92-E96 WeakPolarHBondContact O-CG 3.47Å; V92-E96 PolarHBondContact O-N 3.38Å; V92-F103 HydrophobicContact CG1-CD2 4.33Å; V92-F103 HydrophobicContact CG1-CE2 3.78Å; V92-F103 HydrophobicContact CG1-CZ 4.17Å; V92-R104 HydrophobicContact CG1-CG 3.74Å; V92-L109 HydrophobicContact CG2-CD1 3.93Å |
| 93 | D | 87 | Confident | 89.4 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 15% | 0.15 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 179.1 | -77.5 | 28.4 | 0 | 0 | 0 | 113.1 | V89 L91 R97 R104 | V89-D93 PolarHBondContact O-N 3.32Å; V89-D93 VanDerWaalsContact O-OD1 3.11Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.39Å; D93-R97 PolarHBondContact O-N 3.3Å; D93-R104 IonicContact OD1-CZ 3.72Å; D93-R104 IonicContact OD1-NE 3.29Å; D93-R104 PolarHBondContact OD1-NE 2.81Å; D93-R104 IonicContact OD1-NH1 3.98Å; D93-R104 PolarHBondContact OD1-NH1 2.95Å; D93-R104 IonicContact OD1-NH2 3.18Å; D93-R104 PolarHBondContact OD1-NH2 3.35Å; D93-R104 IonicContact OD2-CZ 3.12Å; D93-R104 VanDerWaalsContact OD2-CZ 3.31Å; D93-R104 IonicContact OD2-NH1 2.63Å; D93-R104 PolarHBondContact OD2-NH1 3.42Å; D93-R104 IonicContact OD2-NH2 2.84Å; D93-R104 PolarHBondContact OD2-NH2 3.42Å |
| 94 | K | 91.5 | Very high | 88.9 | Confident | 118 Ų | 118 | 78.3 Ų | 78.3 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 177.3 | -173.8 | 178.2 | 178.7 | -176.7 | 0 | 111.6 | D90 L91 V92 R97 L98 | D90-K94 PolarHBondContact O-N 3.41Å; D90-K94 VanDerWaalsContact O-N 3.15Å; L91-K94 PolarHBondContact O-N 3.19Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.14Å; K94-R97 PolarHBondContact O-N 2.92Å; K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 WeakPolarHBondContact O-CG 3.46Å; K94-L98 PolarHBondContact O-N 3.03Å; K94-L98 VanDerWaalsContact O-N 3.09Å |
| 95 | L | 92.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 32% | 0.319 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | -178.9 | -74.5 | 173.5 | 0 | 0 | 0 | 111.6 | L91 V92 R97 L98 A99 F103 L112 | L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 HydrophobicContact CG-CD1 4.08Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.34Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.42Å; L95-F103 HydrophobicContact CB-CE1 4.13Å; L95-F103 HydrophobicContact CB-CZ 3.66Å; L95-F103 HydrophobicContact CD1-CZ 4.36Å; L95-L112 HydrophobicContact CD1-CD2 3.98Å |
| 96 | E | 89.6 | Confident | 89 | Confident | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.009 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 174.6 | -73.8 | -170 | 159.3 | 0 | 0 | 112.8 | V92 L98 A99 L100 V101 F103 R104 R185 | V92-E96 HydrophobicContact CG1-CG 4.49Å; V92-E96 WeakPolarHBondContact O-CG 3.47Å; V92-E96 PolarHBondContact O-N 3.38Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.79Å; E96-A99 PolarHBondContact O-N 3.34Å; E96-L100 WeakPolarHBondContact O-CA 3.32Å; E96-L100 PolarHBondContact O-N 2.84Å; E96-V101 VanDerWaalsContact CA-O 3.27Å; E96-V101 WeakPolarHBondContact CA-O 3.36Å; E96-V101 WeakPolarHBondContact CB-O 3.48Å; E96-V101 WeakPolarHBondContact CG-O 3.27Å; E96-V101 PolarHBondContact O-N 2.63Å; E96-F103 HydrophobicContact CB-CE1 4.17Å; E96-F103 HydrophobicContact CG-CD1 3.52Å; E96-F103 HydrophobicContact CG-CE1 3.36Å; E96-F103 HydrophobicContact CG-CG 4.27Å; E96-F103 HydrophobicContact CG-CZ 3.97Å; E96-F103 PolarHBondContact OE1-N 2.88Å; E96-R104 VanDerWaalsContact CD-NE 3.27Å; E96-R104 WeakPolarHBondContact OE1-CB 3.41Å; E96-R104 WeakPolarHBondContact OE1-CG 3.46Å; E96-R104 PolarHBondContact OE1-N 2.93Å; E96-R104 IonicContact OE1-NE 3.55Å; E96-R104 PolarHBondContact OE1-NE 3.42Å; E96-R104 IonicContact OE2-CZ 3.74Å; E96-R104 IonicContact OE2-NE 2.63Å; E96-R104 PolarHBondContact OE2-NE 3.46Å; E96-R104 IonicContact OE2-NH2 3.31Å; E96-R104 PolarHBondContact OE2-NH2 3.19Å; E96-R185 IonicContact OE2-CZ 3.77Å; E96-R185 IonicContact OE2-NH1 3.14Å; E96-R185 PolarHBondContact OE2-NH1 3.44Å |
| 97 | R | 87.6 | Confident | 89.1 | Confident | 153 Ų | 153 | 83.8 Ų | 83.8 | 58% | 0.577 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 179.4 | -174.8 | 178.2 | 67 | 135.8 | 2.8 | 112 | D93 K94 L95 L100 L179 | D93-R97 PolarHBondContact O-N 3.3Å; K94-R97 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.36Å; R97-L100 WeakPolarHBondContact O-CD2 3.14Å; R97-L179 HydrophobicContact CB-CD1 4.02Å; R97-L179 HydrophobicContact CG-CD1 4.05Å |
| 98 | L | 91 | Very high | 89.1 | Confident | 119 Ų | 119 | 84 Ų | 84 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -76.7 | -40.4 | 177.5 | -70 | 173.1 | 0 | 0 | 0 | 112 | K94 L95 E96 L100 | K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 WeakPolarHBondContact O-CG 3.46Å; K94-L98 PolarHBondContact O-N 3.03Å; K94-L98 VanDerWaalsContact O-N 3.09Å; L95-L98 PolarHBondContact O-N 3.14Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.79Å; L98-L100 VanDerWaalsContact C-N 3.33Å |
| 99 | A | 90.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -79.4 | -17 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L95 E96 V101 | L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.42Å; E96-A99 PolarHBondContact O-N 3.34Å; A99-V101 HydrophobicContact CB-CB 4.33Å; A99-V101 HydrophobicContact CB-CG2 4.36Å; A99-V101 PolarHBondContact O-N 3.42Å |
| 100 | L | 87.4 | Confident | 89.4 | Confident | 148 Ų | 148 | 81.3 Ų | 81.3 | 78% | 0.775 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 37.3 | -170.1 | -53.2 | 176.1 | 0 | 0 | 0 | 112.3 | E96 R97 L98 | E96-L100 WeakPolarHBondContact O-CA 3.32Å; E96-L100 PolarHBondContact O-N 2.84Å; R97-L100 WeakPolarHBondContact O-CD2 3.14Å; L98-L100 VanDerWaalsContact C-N 3.33Å |
| 101 | V | 87.4 | Confident | 89.5 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | trans | -128.9 | 141.5 | -179.8 | 176.3 | 0 | 0 | 0 | 0 | 109 | E96 A99 F103 | E96-V101 VanDerWaalsContact CA-O 3.27Å; E96-V101 WeakPolarHBondContact CA-O 3.36Å; E96-V101 WeakPolarHBondContact CB-O 3.48Å; E96-V101 WeakPolarHBondContact CG-O 3.27Å; E96-V101 PolarHBondContact O-N 2.63Å; A99-V101 HydrophobicContact CB-CB 4.33Å; A99-V101 HydrophobicContact CB-CG2 4.36Å; A99-V101 PolarHBondContact O-N 3.42Å; V101-F103 HydrophobicContact CG1-CD1 4.37Å | ||
| 102 | D | 84.6 | Confident | 89.6 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | trans | -93.8 | 117.8 | 169.2 | -173.5 | -5.8 | 0 | 0 | 0 | 109.1 | R104 | D102-R104 PolarHBondContact OD1-N 2.92Š| ||
| 103 | F | 84.1 | Confident | 89.8 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 17% | 0.171 | 42% | 0.419 | C | S | . | . | trans | -139.7 | 18.9 | 179.6 | 68.2 | -93 | 0 | 0 | 0 | 113 | V92 L95 E96 V101 N105 L112 | V92-F103 HydrophobicContact CG1-CD2 4.33Å; V92-F103 HydrophobicContact CG1-CE2 3.78Å; V92-F103 HydrophobicContact CG1-CZ 4.17Å; L95-F103 HydrophobicContact CB-CE1 4.13Å; L95-F103 HydrophobicContact CB-CZ 3.66Å; L95-F103 HydrophobicContact CD1-CZ 4.36Å; E96-F103 HydrophobicContact CB-CE1 4.17Å; E96-F103 HydrophobicContact CG-CD1 3.52Å; E96-F103 HydrophobicContact CG-CE1 3.36Å; E96-F103 HydrophobicContact CG-CG 4.27Å; E96-F103 HydrophobicContact CG-CZ 3.97Å; E96-F103 PolarHBondContact OE1-N 2.88Å; V101-F103 HydrophobicContact CG1-CD1 4.37Å; F103-N105 PolarHBondContact O-N 2.92Å; F103-L112 HydrophobicContact CE2-CD2 3.97Å | ||
| 104 | R | 82.4 | Confident | 90.2 | Very high | 76 Ų | 76 | 87 Ų | 87 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | trans | -65.4 | 28.8 | 173.2 | -92.7 | 178.4 | -126.5 | -143.2 | -12.4 | 114.8 | V92 D93 E96 D102 R185 | V92-R104 HydrophobicContact CG1-CG 3.74Å; D93-R104 IonicContact OD1-CZ 3.72Å; D93-R104 IonicContact OD1-NE 3.29Å; D93-R104 PolarHBondContact OD1-NE 2.81Å; D93-R104 IonicContact OD1-NH1 3.98Å; D93-R104 PolarHBondContact OD1-NH1 2.95Å; D93-R104 IonicContact OD1-NH2 3.18Å; D93-R104 PolarHBondContact OD1-NH2 3.35Å; D93-R104 IonicContact OD2-CZ 3.12Å; D93-R104 VanDerWaalsContact OD2-CZ 3.31Å; D93-R104 IonicContact OD2-NH1 2.63Å; D93-R104 PolarHBondContact OD2-NH1 3.42Å; D93-R104 IonicContact OD2-NH2 2.84Å; D93-R104 PolarHBondContact OD2-NH2 3.42Å; E96-R104 VanDerWaalsContact CD-NE 3.27Å; E96-R104 WeakPolarHBondContact OE1-CB 3.41Å; E96-R104 WeakPolarHBondContact OE1-CG 3.46Å; E96-R104 PolarHBondContact OE1-N 2.93Å; E96-R104 IonicContact OE1-NE 3.55Å; E96-R104 PolarHBondContact OE1-NE 3.42Å; E96-R104 IonicContact OE2-CZ 3.74Å; E96-R104 IonicContact OE2-NE 2.63Å; E96-R104 PolarHBondContact OE2-NE 3.46Å; E96-R104 IonicContact OE2-NH2 3.31Å; E96-R104 PolarHBondContact OE2-NH2 3.19Å; D102-R104 PolarHBondContact OD1-N 2.92Å; R104-R185 VanDerWaalsContact CZ-CZ 3.43Å | ||
| 105 | N | 87.4 | Confident | 90.4 | Very high | 86 Ų | 86 | 83.9 Ų | 83.9 | 46% | 0.46 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -102.1 | 159.5 | 171.7 | 63 | 45 | 0 | 0 | 0 | 110.4 | F103 E107 G108 L109 | F103-N105 PolarHBondContact O-N 2.92Å; N105-E107 PolarHBondContact O-N 3.36Å; N105-E107 PolarHBondContact OD1-N 3.4Å; N105-G108 PolarHBondContact O-N 3.01Å; N105-G108 WeakPolarHBondContact OD1-CA 3.32Å; N105-G108 PolarHBondContact OD1-N 3.07Å; N105-L109 PolarHBondContact O-N 3.29Å; N105-L109 VanDerWaalsContact O-N 3.07Å |
| 106 | Q | 89 | Confident | 90.6 | Very high | 175 Ų | 175 | 83.2 Ų | 83.2 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.1 | -34.8 | -176.1 | -173.2 | 177.1 | -2.1 | 0 | 0 | 112.3 | A110 | Q106-A110 VanDerWaalsContact O-CB 3.29Å; Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å |
| 107 | E | 92.1 | Very high | 90.8 | Very high | 164 Ų | 164 | 85.3 Ų | 85.3 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.9 | -42.6 | 179.5 | -63.4 | -176.7 | 173 | 0 | 0 | 112.3 | N105 A110 C111 | N105-E107 PolarHBondContact O-N 3.36Å; N105-E107 PolarHBondContact OD1-N 3.4Å; E107-A110 PolarHBondContact O-N 3.48Å; E107-C111 VanDerWaalsContact O-CB 3.26Å; E107-C111 WeakPolarHBondContact O-CB 3.44Å; E107-C111 PolarHBondContact O-N 3.4Å |
| 108 | G | 90.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 85.1 Ų | 85.1 | 18% | 0.175 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N105 C111 L112 | N105-G108 PolarHBondContact O-N 3.01Å; N105-G108 WeakPolarHBondContact OD1-CA 3.32Å; N105-G108 PolarHBondContact OD1-N 3.07Å; G108-C111 PolarHBondContact O-N 3.3Å; G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.29Å |
| 109 | L | 93.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 81.7 Ų | 81.7 | 29% | 0.293 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 173.2 | -172.6 | 61.2 | 0 | 0 | 0 | 111.5 | V87 V92 N105 C111 L112 E113 | V87-L109 HydrophobicContact CB-CD1 3.93Å; V87-L109 HydrophobicContact CG1-CD1 4.46Å; V92-L109 HydrophobicContact CG2-CD1 3.93Å; N105-L109 PolarHBondContact O-N 3.29Å; N105-L109 VanDerWaalsContact O-N 3.07Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.7Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-E113 WeakPolarHBondContact O-CG 3.27Å; L109-E113 PolarHBondContact O-N 3.35Å |
| 110 | A | 93.4 | Very high | 91.6 | Very high | 35 Ų | 35 | 79.6 Ų | 79.6 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q106 E107 K114 | Q106-A110 VanDerWaalsContact O-CB 3.29Å; Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å; E107-A110 PolarHBondContact O-N 3.48Å; A110-K114 WeakPolarHBondContact O-CB 3.16Å; A110-K114 WeakPolarHBondContact O-CD 3.38Å; A110-K114 WeakPolarHBondContact O-CG 3.3Å; A110-K114 PolarHBondContact O-N 3.43Å; A110-K114 VanDerWaalsContact O-N 3.08Å |
| 111 | C | 94.1 | Very high | 91.8 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 55% | 0.554 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.2 | -46.2 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | E107 G108 L109 K114 A115 | E107-C111 VanDerWaalsContact O-CB 3.26Å; E107-C111 WeakPolarHBondContact O-CB 3.44Å; E107-C111 PolarHBondContact O-N 3.4Å; G108-C111 PolarHBondContact O-N 3.3Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.7Å; C111-K114 PolarHBondContact O-N 2.99Å; C111-A115 WeakPolarHBondContact O-CB 3.36Å; C111-A115 PolarHBondContact O-N 3.29Å |
| 112 | L | 94.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.225 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 177.3 | 177.9 | 60.4 | 0 | 0 | 0 | 111.7 | V87 L95 F103 G108 L109 K114 A115 I116 | V87-L112 HydrophobicContact CG1-CD2 4.12Å; V87-L112 HydrophobicContact CG2-CD2 4.09Å; V87-L112 HydrophobicContact CG2-CG 4.33Å; L95-L112 HydrophobicContact CD1-CD2 3.98Å; F103-L112 HydrophobicContact CE2-CD2 3.97Å; G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.29Å; L109-L112 PolarHBondContact O-N 3.47Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.01Å; L112-A115 PolarHBondContact O-N 2.84Å; L112-A115 VanDerWaalsContact O-N 3.16Å; L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.95Å |
| 113 | E | 95.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 80.2 Ų | 80.2 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 178.5 | -71.6 | 176.2 | 168.3 | 0 | 0 | 111.9 | V87 L109 I116 R117 | V87-E113 HydrophobicContact CG2-CG 4.03Å; L109-E113 WeakPolarHBondContact O-CG 3.27Å; L109-E113 PolarHBondContact O-N 3.35Å; E113-I116 PolarHBondContact O-N 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.41Å |
| 114 | K | 94.8 | Very high | 92.8 | Very high | 151 Ų | 151 | 81.2 Ų | 81.2 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 173.9 | -74.6 | 170.4 | -174.7 | 174.8 | 0 | 112.4 | A110 C111 L112 R117 F118 | A110-K114 WeakPolarHBondContact O-CB 3.16Å; A110-K114 WeakPolarHBondContact O-CD 3.38Å; A110-K114 WeakPolarHBondContact O-CG 3.3Å; A110-K114 PolarHBondContact O-N 3.43Å; A110-K114 VanDerWaalsContact O-N 3.08Å; C111-K114 PolarHBondContact O-N 2.99Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.01Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-F118 WeakPolarHBondContact O-CB 3.37Å; K114-F118 PolarHBondContact O-N 3.42Å |
| 115 | A | 96.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 81.6 Ų | 81.6 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C111 L112 F118 A119 | C111-A115 WeakPolarHBondContact O-CB 3.36Å; C111-A115 PolarHBondContact O-N 3.29Å; L112-A115 PolarHBondContact O-N 2.84Å; L112-A115 VanDerWaalsContact O-N 3.16Å; A115-F118 PolarHBondContact O-N 3.05Å; A115-A119 PolarHBondContact O-N 3.23Å |
| 116 | I | 95.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 83.3 Ų | 83.3 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 173.3 | -65.7 | 165.9 | 0 | 0 | 0 | 109.9 | C85 V87 L112 E113 F118 A119 D120 | C85-I116 HydrophobicContact CB-CG2 3.73Å; V87-I116 HydrophobicContact CG2-CD1 3.79Å; L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.95Å; E113-I116 PolarHBondContact O-N 3.29Å; I116-F118 PolarHBondContact O-N 3.25Å; I116-A119 CarbonylContact O-C 3.57Å; I116-A119 PolarHBondContact O-N 2.9Å; I116-D120 VanDerWaalsContact O-CG 3.29Å; I116-D120 PolarHBondContact O-N 3.4Å |
| 117 | R | 94.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 79.4 Ų | 79.4 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.5 | -38.3 | 176.1 | -169.3 | 79.7 | -164.2 | 132.9 | 128.7 | 112.3 | E78 L81 P82 E113 K114 D120 | E78-R117 VanDerWaalsContact CD-NH1 3.29Å; E78-R117 IonicContact OE1-CZ 2.83Å; E78-R117 IonicContact OE1-NE 3.94Å; E78-R117 PolarHBondContact OE1-NE 3.16Å; E78-R117 IonicContact OE1-NH1 2.87Å; E78-R117 PolarHBondContact OE1-NH1 2.91Å; E78-R117 IonicContact OE2-CZ 3.03Å; E78-R117 IonicContact OE2-NE 3.38Å; E78-R117 IonicContact OE2-NH1 2.82Å; L81-R117 VanDerWaalsContact CB-NH2 3.25Å; P82-R117 PolarHBondContact O-NH1 2.88Å; P82-R117 PolarHBondContact O-NH2 3.13Å; P82-R117 VanDerWaalsContact O-NH2 3.13Å; E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.41Å; K114-R117 PolarHBondContact O-N 2.91Å; R117-D120 IonicContact NH2-OD2 3.05Å; R117-D120 PolarHBondContact NH2-OD2 3.19Å; R117-D120 WeakPolarHBondContact O-CB 3.42Å; R117-D120 PolarHBondContact O-N 3.36Å |
| 118 | F | 94.7 | Very high | 93.9 | Very high | 148 Ų | 148 | 78.4 Ų | 78.4 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 176.6 | -178.9 | -107.8 | 0 | 0 | 0 | 111.6 | K114 A115 I116 D120 Q121 | K114-F118 WeakPolarHBondContact O-CB 3.37Å; K114-F118 PolarHBondContact O-N 3.42Å; A115-F118 PolarHBondContact O-N 3.05Å; I116-F118 PolarHBondContact O-N 3.25Å; F118-D120 VanDerWaalsContact C-N 3.3Å; F118-D120 PolarHBondContact O-N 2.83Å; F118-Q121 WeakPolarHBondContact O-CB 3.44Å; F118-Q121 WeakPolarHBondContact O-CG 3.35Å; F118-Q121 PolarHBondContact O-N 3.5Å |
| 119 | A | 96.1 | Very high | 94.1 | Very high | 48 Ų | 48 | 81.8 Ų | 81.8 | 40% | 0.397 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A115 I116 Q121 L122 | A115-A119 PolarHBondContact O-N 3.23Å; I116-A119 CarbonylContact O-C 3.57Å; I116-A119 PolarHBondContact O-N 2.9Å; A119-Q121 PolarHBondContact O-N 3.08Å; A119-L122 VanDerWaalsContact O-CB 3.3Å; A119-L122 WeakPolarHBondContact O-CB 3.29Å; A119-L122 WeakPolarHBondContact O-CG 3.49Å; A119-L122 PolarHBondContact O-N 3.31Å |
| 120 | D | 95.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 83.7 Ų | 83.7 | 9% | 0.086 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -56.8 | -25.8 | 178.7 | -74.7 | -27.6 | 0 | 0 | 0 | 113 | L81 P82 I116 R117 F118 L122 H123 | L81-D120 HydrophobicContact CD2-CB 4.5Å; P82-D120 HydrophobicContact CG-CB 3.79Å; I116-D120 VanDerWaalsContact O-CG 3.29Å; I116-D120 PolarHBondContact O-N 3.4Å; R117-D120 IonicContact NH2-OD2 3.05Å; R117-D120 PolarHBondContact NH2-OD2 3.19Å; R117-D120 WeakPolarHBondContact O-CB 3.42Å; R117-D120 PolarHBondContact O-N 3.36Å; F118-D120 VanDerWaalsContact C-N 3.3Å; F118-D120 PolarHBondContact O-N 2.83Å; D120-L122 PolarHBondContact O-N 2.99Å; D120-L122 VanDerWaalsContact O-N 3.17Å; D120-H123 WeakPolarHBondContact CA-ND1 3.43Å; D120-H123 WeakPolarHBondContact O-CB 3.48Å; D120-H123 PolarHBondContact O-N 2.94Å; D120-H123 PolarHBondContact O-ND1 3.19Å; D120-H123 IonicContact OD1-CE1 2.82Å; D120-H123 IonicContact OD1-ND1 3.42Å |
| 121 | Q | 93 | Very high | 94 | Very high | 76 Ų | 76 | 89 Ų | 89 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.1 | 175.6 | -63.8 | 176.2 | 43.3 | 0 | 0 | 112.9 | V76 L81 F118 A119 H123 V124 | V76-Q121 HydrophobicContact CB-CG 4.39Å; V76-Q121 HydrophobicContact CG2-CB 4.22Å; V76-Q121 HydrophobicContact CG2-CG 4.29Å; L81-Q121 HydrophobicContact CD2-CG 4.22Å; F118-Q121 WeakPolarHBondContact O-CB 3.44Å; F118-Q121 WeakPolarHBondContact O-CG 3.35Å; F118-Q121 PolarHBondContact O-N 3.5Å; A119-Q121 PolarHBondContact O-N 3.08Å; Q121-H123 PolarHBondContact O-N 3.27Å; Q121-V124 PolarHBondContact O-N 3.32Å |
| 122 | L | 93.2 | Very high | 93.9 | Very high | 126 Ų | 126 | 91 Ų | 91 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -67.3 | -21 | 176.8 | -61.4 | 176.8 | 0 | 0 | 0 | 112.8 | A119 D120 V124 V125 | A119-L122 VanDerWaalsContact O-CB 3.3Å; A119-L122 WeakPolarHBondContact O-CB 3.29Å; A119-L122 WeakPolarHBondContact O-CG 3.49Å; A119-L122 PolarHBondContact O-N 3.31Å; D120-L122 PolarHBondContact O-N 2.99Å; D120-L122 VanDerWaalsContact O-N 3.17Å; L122-V124 PolarHBondContact O-N 3.1Å; L122-V125 WeakPolarHBondContact O-CB 3.37Å; L122-V125 PolarHBondContact O-N 3.28Å |
| 123 | H | 91.3 | Very high | 93.6 | Very high | 135 Ų | 135 | 95.4 Ų | 95.4 | 63% | 0.625 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -68.9 | -19.9 | 177.3 | -65.3 | 91.2 | 0 | 0 | 0 | 113.4 | D120 Q121 V125 | D120-H123 WeakPolarHBondContact CA-ND1 3.43Å; D120-H123 WeakPolarHBondContact O-CB 3.48Å; D120-H123 PolarHBondContact O-N 2.94Å; D120-H123 PolarHBondContact O-ND1 3.19Å; D120-H123 IonicContact OD1-CE1 2.82Å; D120-H123 IonicContact OD1-ND1 3.42Å; Q121-H123 PolarHBondContact O-N 3.27Å; H123-V125 VanDerWaalsContact C-N 3.3Å |
| 124 | V | 92.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -81.6 | -17.1 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | V76 Q80 L81 Q121 L122 D126 | V76-V124 HydrophobicContact CG1-CB 4.31Å; V76-V124 HydrophobicContact CG1-CG1 4.48Å; V76-V124 HydrophobicContact CG1-CG2 3.68Å; Q80-V124 HydrophobicContact CB-CG2 4.01Å; L81-V124 HydrophobicContact CD2-CG2 4.08Å; Q121-V124 PolarHBondContact O-N 3.32Å; L122-V124 PolarHBondContact O-N 3.1Å; V124-D126 PolarHBondContact O-N 3.32Å |
| 125 | V | 90.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 95 Ų | 95 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -77.1 | 118.8 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | L122 H123 T127 | L122-V125 WeakPolarHBondContact O-CB 3.37Å; L122-V125 PolarHBondContact O-N 3.28Å; H123-V125 VanDerWaalsContact C-N 3.3Å; V125-T127 HydrophobicContact CG1-CG2 4.29Å; V125-T127 PolarHBondContact O-N 3.05Å |
| 126 | D | 91.8 | Very high | 92.3 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 65% | 0.652 | 56% | 0.557 | S | S | * | * | trans | -66.7 | 118 | 171.6 | -176.3 | 10.4 | 0 | 0 | 0 | 109.7 | V124 D128 | V124-D126 PolarHBondContact O-N 3.32Å; D126-D128 VanDerWaalsContact OD1-CB 3.28Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 PolarHBondContact OD1-N 3.33Å | ||
| 127 | T | 94.7 | Very high | 91.5 | Very high | 93 Ų | 93 | 100.2 Ų | 100.2 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | trans | -116.2 | 13.7 | 177.1 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | V125 G129 V130 | V125-T127 HydrophobicContact CG1-CG2 4.29Å; V125-T127 PolarHBondContact O-N 3.05Å; T127-G129 PolarHBondContact O-N 3.17Å; T127-V130 WeakPolarHBondContact O-CB 3.4Å; T127-V130 PolarHBondContact O-N 2.95Å; T127-V130 VanDerWaalsContact O-N 3.1Å | ||
| 128 | D | 96.8 | Very high | 90.4 | Very high | 142 Ų | 142 | 104.6 Ų | 104.6 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 124.6 | 178.6 | -78.9 | -9.4 | 0 | 0 | 0 | 111 | D126 V130 | D126-D128 VanDerWaalsContact OD1-CB 3.28Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 PolarHBondContact OD1-N 3.33Å; D128-V130 PolarHBondContact O-N 3.05Å |
| 129 | G | 95.6 | Very high | 89.3 | Confident | 88 Ų | 88 | 107 Ų | 107 | 91% | 0.907 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.8 | 11.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T127 | T127-G129 PolarHBondContact O-N 3.17Š|
| 130 | V | 92.6 | Very high | 88.5 | Confident | 97 Ų | 97 | 112 Ų | 112 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 116.8 | 173.3 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | T127 D128 | T127-V130 WeakPolarHBondContact O-CB 3.4Å; T127-V130 PolarHBondContact O-N 2.95Å; T127-V130 VanDerWaalsContact O-N 3.1Å; D128-V130 PolarHBondContact O-N 3.05Å |
| 131 | D | 90.9 | Very high | 87.9 | Confident | 147 Ų | 147 | 115.1 Ų | 115.1 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 137.3 | 174.7 | -70.9 | -35.7 | 0 | 0 | 0 | 110.7 | M133 | D131-M133 PolarHBondContact O-N 3.06Š|
| 132 | P | 92.6 | Very high | 87.6 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.6 | 176.2 | -23.5 | 33.5 | 0 | 0 | 0 | 111.9 | D134 | P132-D134 PolarHBondContact O-N 3.13Š|
| 133 | M | 89.2 | Confident | 87.4 | Confident | 136 Ų | 136 | 123 Ų | 123 | 67% | 0.67 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -80 | 119.2 | 176.1 | -174.6 | 177.2 | 61.7 | 0 | 0 | 110.5 | D131 V136 | D131-M133 PolarHBondContact O-N 3.06Å; M133-V136 HydrophobicContact CE-CG2 4.42Å; M133-V136 HydrophobicContact SD-CG2 4.13Å |
| 134 | D | 86.8 | Confident | 87.4 | Confident | 158 Ų | 158 | 124.2 Ų | 124.2 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -99.2 | -29.3 | 174.5 | 63.6 | -13.4 | 0 | 0 | 0 | 112.6 | P132 | P132-D134 PolarHBondContact O-N 3.13Š|
| 135 | S | 84.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 131.6 Ų | 131.6 | 35% | 0.35 | 70% | 0.703 | S | S | . | * | trans | -145.7 | 141.5 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | L137 | S135-L137 PolarHBondContact O-N 3.43Å; S135-L137 PolarHBondContact OG-N 3.45Å | ||
| 136 | V | 85.9 | Confident | 87.7 | Confident | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -72.5 | -18.8 | 170.1 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | M133 E138 | M133-V136 HydrophobicContact CE-CG2 4.42Å; M133-V136 HydrophobicContact SD-CG2 4.13Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.49Å |
| 137 | L | 78.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 137.8 Ų | 137.8 | 48% | 0.476 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -95.1 | 64.6 | -179.7 | -56.9 | -178.1 | 0 | 0 | 0 | 110 | S135 R140 | S135-L137 PolarHBondContact O-N 3.43Å; S135-L137 PolarHBondContact OG-N 3.45Å; L137-R140 HydrophobicContact CB-CG 4.41Å |
| 138 | E | 71.1 | Confident | 87.8 | Confident | 138 Ų | 138 | 136.2 Ų | 136.2 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 147.7 | 172 | -63 | 172.6 | -168.5 | 0 | 0 | 109.9 | V136 R140 | V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.49Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 2.63Å |
| 139 | E | 73.2 | Confident | 87.5 | Confident | 199 Ų | 199 | 136.3 Ų | 136.3 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 17.5 | 172.8 | -49.4 | 177.5 | 171.2 | 0 | 0 | 116.9 | ||
| 140 | R | 78.3 | Confident | 87.1 | Confident | 153 Ų | 153 | 136.5 Ų | 136.5 | 58% | 0.577 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 136.8 | 173.1 | -60.7 | -167.1 | -174.2 | -178.3 | -1.2 | 112 | L137 E138 | L137-R140 HydrophobicContact CB-CG 4.41Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 2.63Å |
| 141 | A | 83.8 | Confident | 86.6 | Confident | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y143 | A141-Y143 PolarHBondContact O-N 3.05Š|
| 142 | L | 85.5 | Confident | 86.3 | Confident | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.8 | 171.7 | -66.5 | 175.7 | 0 | 0 | 0 | 109.3 | L144 | L142-L144 PolarHBondContact O-N 2.9Š|
| 143 | Y | 88.7 | Confident | 86.1 | Confident | 203 Ų | 203 | 138.6 Ų | 138.6 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119 | 175.6 | -63.8 | -81.7 | 0 | 0 | 0 | 109.4 | A141 | A141-Y143 PolarHBondContact O-N 3.05Š|
| 144 | L | 92.7 | Very high | 86.2 | Confident | 162 Ų | 162 | 134.5 Ų | 134.5 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 136 | 170.9 | -59.3 | -179.2 | 0 | 0 | 0 | 109 | L142 | L142-L144 PolarHBondContact O-N 2.9Š|
| 145 | R | 94.2 | Very high | 86.5 | Confident | 214 Ų | 214 | 129.6 Ų | 129.6 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 139.9 | 167.3 | -170 | -176.5 | 70.1 | 167.9 | 1.1 | 108.5 | ||
| 146 | E | 94.2 | Very high | 86.8 | Confident | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.5 | 170.7 | -65.5 | -179.6 | 179.6 | 0 | 0 | 110.7 | A148 | E146-A148 PolarHBondContact O-N 3.09Š|
| 147 | D | 95 | Very high | 87.2 | Confident | 174 Ų | 174 | 135.2 Ų | 135.2 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -80.7 | 69.6 | 174.7 | -171.5 | 25.1 | 0 | 0 | 0 | 110.1 | ||
| 148 | A | 93.7 | Very high | 87.9 | Confident | 61 Ų | 61 | 135 Ų | 135 | 50% | 0.504 | 71% | 0.71 | S | S | . | * | trans | -129.3 | 145.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E146 A150 | E146-A148 PolarHBondContact O-N 3.09Å; A148-A150 PolarHBondContact O-N 3.3Å | ||
| 149 | V | 90.9 | Very high | 89 | Confident | 144 Ų | 144 | 129.7 Ų | 129.7 | 87% | 0.873 | 69% | 0.685 | S | S | * | * | trans | -71.4 | 119.5 | 174.3 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 150 | A | 85.6 | Confident | 90.1 | Very high | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -99.2 | -54.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A148 | A148-A150 PolarHBondContact O-N 3.3Š| ||
| 151 | E | 82.9 | Confident | 90.9 | Very high | 181 Ų | 181 | 126.6 Ų | 126.6 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -137.7 | 148.5 | -176.1 | -77.3 | 171.7 | 178.3 | 0 | 0 | 110.3 | ||||
| 152 | G | 84.9 | Confident | 91.4 | Very high | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | trans | -161.3 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C154 | G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.38Å | ||
| 153 | D | 87.6 | Confident | 91.7 | Very high | 171 Ų | 171 | 126.2 Ų | 126.2 | 91% | 0.914 | 66% | 0.663 | S | S | * | * | trans | 60.8 | 26.1 | 176.4 | -153.3 | 27.1 | 0 | 0 | 0 | 115.7 | A155 | D153-A155 VanDerWaalsContact C-N 3.34Š| ||
| 154 | C | 91.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 121.2 Ų | 121.2 | 33% | 0.331 | 65% | 0.65 | S | S | . | * | trans | -93.9 | 19.4 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | G152 E156 E157 L158 | G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.38Å; C154-E156 VanDerWaalsContact C-N 3.34Å; C154-E156 PolarHBondContact O-N 3.34Å; C154-E157 PolarHBondContact O-N 3.38Å; C154-L158 WeakPolarHBondContact O-CG 3.5Å; C154-L158 PolarHBondContact O-N 3.11Å | ||
| 155 | A | 92.3 | Very high | 92 | Very high | 55 Ų | 55 | 116.6 Ų | 116.6 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.7 | -43.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D153 L158 L159 | D153-A155 VanDerWaalsContact C-N 3.34Å; A155-L158 PolarHBondContact O-N 3.3Å; A155-L159 WeakPolarHBondContact O-CB 3.17Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.35Å |
| 156 | E | 92.4 | Very high | 91.9 | Very high | 147 Ų | 147 | 110.5 Ų | 110.5 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.8 | -47.2 | 180 | -170.6 | 176.6 | -178.1 | 0 | 0 | 111.6 | C154 L158 L159 Q160 | C154-E156 VanDerWaalsContact C-N 3.34Å; C154-E156 PolarHBondContact O-N 3.34Å; E156-L158 PolarHBondContact O-N 2.95Å; E156-L159 PolarHBondContact O-N 3.5Å; E156-Q160 VanDerWaalsContact O-CG 3.31Å; E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 3.08Å; E156-Q160 VanDerWaalsContact O-N 3.12Å |
| 157 | E | 93.9 | Very high | 91.8 | Very high | 141 Ų | 141 | 110.8 Ų | 110.8 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.4 | -41.7 | 179.3 | -62.7 | -177.1 | -175.5 | 0 | 0 | 111.9 | C154 | C154-E157 PolarHBondContact O-N 3.38Å |
| 158 | L | 93.6 | Very high | 91.7 | Very high | 86 Ų | 86 | 110.3 Ų | 110.3 | 45% | 0.45 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.9 | -39.5 | 179.2 | -68.3 | 176.9 | 0 | 0 | 0 | 112.5 | C154 A155 E156 Q160 L161 | C154-L158 WeakPolarHBondContact O-CG 3.5Å; C154-L158 PolarHBondContact O-N 3.11Å; A155-L158 PolarHBondContact O-N 3.3Å; E156-L158 PolarHBondContact O-N 2.95Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 2.91Å; L158-L161 HydrophobicContact CD2-CD1 4.49Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.46Å |
| 159 | L | 94.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 115.5 Ų | 115.5 | 14% | 0.136 | 62% | 0.616 | C | S | . | * | H | α-helix | trans | -69.3 | -31.6 | -179.7 | -73.1 | 168.6 | 0 | 0 | 0 | 112.2 | A155 E156 L161 S162 T165 E168 F170 | A155-L159 WeakPolarHBondContact O-CB 3.17Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.35Å; E156-L159 PolarHBondContact O-N 3.5Å; L159-L161 PolarHBondContact O-N 3.11Å; L159-S162 PolarHBondContact O-N 3.37Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-T165 HydrophobicContact CB-CG2 4.23Å; L159-T165 HydrophobicContact CD2-CG2 3.77Å; L159-E168 HydrophobicContact CD1-CB 3.95Å; L159-E168 HydrophobicContact CD1-CG 4.46Å; L159-F170 HydrophobicContact CD2-CD1 4.23Å; L159-F170 HydrophobicContact CD2-CE1 3.97Å; L159-F170 HydrophobicContact CD2-CE2 4.31Å; L159-F170 HydrophobicContact CD2-CZ 4.01Å |
| 160 | Q | 95.1 | Very high | 91.8 | Very high | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.5 | -22.8 | 173.4 | -74.6 | 176.9 | 14.9 | 0 | 0 | 113.3 | E156 L158 S162 | E156-Q160 VanDerWaalsContact O-CG 3.31Å; E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 3.08Å; E156-Q160 VanDerWaalsContact O-N 3.12Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 2.91Å; Q160-S162 VanDerWaalsContact C-N 3.29Å |
| 161 | L | 95.1 | Very high | 92.1 | Very high | 146 Ų | 146 | 114 Ų | 114 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -16.4 | 176.9 | -58.3 | 175.8 | 0 | 0 | 0 | 113 | L158 L159 | L158-L161 HydrophobicContact CD2-CD1 4.49Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.46Å; L159-L161 PolarHBondContact O-N 3.11Å |
| 162 | S | 94.1 | Very high | 92.5 | Very high | 40 Ų | 40 | 109.1 Ų | 109.1 | 28% | 0.28 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -85.7 | 146.1 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | L159 Q160 N164 | L159-S162 PolarHBondContact O-N 3.37Å; L159-S162 VanDerWaalsContact O-N 3.1Å; Q160-S162 VanDerWaalsContact C-N 3.29Å; S162-N164 PolarHBondContact OG-N 3.15Å; S162-N164 PolarHBondContact OG-O 3.46Å |
| 163 | K | 92.4 | Very high | 92.4 | Very high | 197 Ų | 197 | 111.6 Ų | 111.6 | 86% | 0.857 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -67.6 | -38.6 | 173 | -175.6 | 177.7 | 179.3 | -179.2 | 0 | 112.4 | ||
| 164 | N | 91.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | trans | -134.6 | 133.5 | -177.5 | -62 | -35.9 | 0 | 0 | 0 | 109.3 | S162 | S162-N164 PolarHBondContact OG-N 3.15Å; S162-N164 PolarHBondContact OG-O 3.46Å | ||
| 165 | T | 94.8 | Very high | 91 | Very high | 66 Ų | 66 | 110 Ų | 110 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.5 | 173.8 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | L159 Y169 | L159-T165 HydrophobicContact CB-CG2 4.23Å; L159-T165 HydrophobicContact CD2-CG2 3.77Å; T165-Y169 VanDerWaalsContact CA-O 3.26Å; T165-Y169 WeakPolarHBondContact CA-O 3.3Å |
| 166 | V | 93.8 | Very high | 89.3 | Confident | 85 Ų | 85 | 114.6 Ų | 114.6 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140 | 125 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 107.2 | E168 Y169 V171 | V166-E168 VanDerWaalsContact C-N 3.27Å; V166-E168 PolarHBondContact O-N 3.26Å; V166-Y169 PolarHBondContact N-O 2.98Å; V166-Y169 WeakPolarHBondContact O-CB 3.4Å; V166-Y169 PolarHBondContact O-N 3.45Å; V166-V171 HydrophobicContact CB-CG2 3.62Å; V166-V171 HydrophobicContact CG2-CG2 3.59Å |
| 167 | E | 90.6 | Very high | 87.8 | Confident | 168 Ų | 168 | 113.9 Ų | 113.9 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.9 | 46.6 | 175 | -61.6 | -179.1 | 177.5 | 0 | 0 | 113.3 | Y169 | E167-Y169 HydrophobicContact CB-CD2 4.39Å; E167-Y169 WeakPolarHBondContact O-CD2 3.5Å; E167-Y169 WeakPolarHBondContact O-CE2 3.45Å; E167-Y169 PolarHBondContact O-N 3.3Å |
| 168 | E | 93 | Very high | 86.3 | Confident | 164 Ų | 164 | 112.3 Ų | 112.3 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 12.3 | -179.5 | -50.1 | -178.9 | 150.1 | 0 | 0 | 115.7 | L159 V166 | L159-E168 HydrophobicContact CD1-CB 3.95Å; L159-E168 HydrophobicContact CD1-CG 4.46Å; V166-E168 VanDerWaalsContact C-N 3.27Å; V166-E168 PolarHBondContact O-N 3.26Å |
| 169 | Y | 93.1 | Very high | 84.9 | Confident | 170 Ų | 170 | 112 Ų | 112 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 147.5 | 173.7 | -60.4 | -83.9 | 0 | 0 | 0 | 112.3 | T165 V166 E167 | T165-Y169 VanDerWaalsContact CA-O 3.26Å; T165-Y169 WeakPolarHBondContact CA-O 3.3Å; V166-Y169 PolarHBondContact N-O 2.98Å; V166-Y169 WeakPolarHBondContact O-CB 3.4Å; V166-Y169 PolarHBondContact O-N 3.45Å; E167-Y169 HydrophobicContact CB-CD2 4.39Å; E167-Y169 WeakPolarHBondContact O-CD2 3.5Å; E167-Y169 WeakPolarHBondContact O-CE2 3.45Å; E167-Y169 PolarHBondContact O-N 3.3Å |
| 170 | F | 93.9 | Very high | 83.6 | Confident | 134 Ų | 134 | 112.8 Ų | 112.8 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.8 | 162.6 | -62 | -72.6 | 0 | 0 | 0 | 109.6 | L159 | L159-F170 HydrophobicContact CD2-CD1 4.23Å; L159-F170 HydrophobicContact CD2-CE1 3.97Å; L159-F170 HydrophobicContact CD2-CE2 4.31Å; L159-F170 HydrophobicContact CD2-CZ 4.01Å |
| 171 | V | 92.8 | Very high | 82.4 | Confident | 71 Ų | 71 | 112.8 Ų | 112.8 | 43% | 0.43 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -101.9 | 119.2 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | V166 | V166-V171 HydrophobicContact CB-CG2 3.62Å; V166-V171 HydrophobicContact CG2-CG2 3.59Å |
| 172 | A | 89.8 | Confident | 81.1 | Confident | 78 Ų | 78 | 111 Ų | 111 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 146.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 173 | P | 84.3 | Confident | 80.2 | Confident | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -52.9 | 156 | 161.4 | -21.4 | 33.1 | 0 | 0 | 0 | 110.2 | G175 | P173-G175 PolarHBondContact O-N 3.15Š|
| 174 | P | 80.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 111 Ų | 111 | 71% | 0.708 | 60% | 0.598 | S | S | * | * | trans | -52.2 | 102.8 | -179.9 | 20.4 | -32.3 | 0 | 0 | 0 | 110.9 | N176 | P174-N176 PolarHBondContact O-N 3.46Š| ||
| 175 | G | 68.2 | Low | 78.2 | Confident | 78 Ų | 78 | 108 Ų | 108 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -93.6 | 70.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P173 | P173-G175 PolarHBondContact O-N 3.15Š|
| 176 | N | 57.9 | Low | 76.9 | Confident | 152 Ų | 152 | 107.9 Ų | 107.9 | 81% | 0.813 | 58% | 0.581 | S | S | * | * | trans | -165.9 | 37.6 | 158.9 | -157.5 | 23.5 | 0 | 0 | 0 | 110.4 | P174 P178 | P174-N176 PolarHBondContact O-N 3.46Å; N176-P178 WeakPolarHBondContact O-CD 3.48Å | ||
| 177 | I | 60.5 | Low | 75.8 | Confident | 132 Ų | 132 | 105.9 Ų | 105.9 | 68% | 0.677 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117.1 | 174 | -56 | 173.7 | 0 | 0 | 0 | 105.8 | L179 | I177-L179 PolarHBondContact O-N 3.3Š|
| 178 | P | 61.7 | Low | 74.7 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 70% | 0.695 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 135.7 | 173.5 | -20.3 | 30.7 | 0 | 0 | 0 | 108.7 | N176 | N176-P178 WeakPolarHBondContact O-CD 3.48Š|
| 179 | L | 64.1 | Low | 73 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 133.9 | 169 | -72.2 | 177.3 | 0 | 0 | 0 | 107.8 | R97 I177 K181 | R97-L179 HydrophobicContact CB-CD1 4.02Å; R97-L179 HydrophobicContact CG-CD1 4.05Å; I177-L179 PolarHBondContact O-N 3.3Å; L179-K181 PolarHBondContact O-N 3.17Å |
| 180 | P | 68.5 | Low | 71.4 | Confident | 42 Ų | 42 | 100.9 Ų | 100.9 | 27% | 0.273 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 137.8 | -177.2 | 6.2 | -13 | 0 | 0 | 0 | 109.3 | E184 R185 M188 | P180-E184 WeakPolarHBondContact CA-OE2 3.44Å; P180-E184 HydrophobicContact CB-CB 3.86Å; P180-R185 HydrophobicContact CB-CG 3.93Å; P180-R185 HydrophobicContact CG-CG 3.74Å; P180-R185 PolarHBondContact O-NE 3.44Å; P180-R185 PolarHBondContact O-NH2 2.79Å; P180-M188 HydrophobicContact CG-SD 4.38Å |
| 181 | K | 70.4 | Confident | 69.4 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -59 | 160.1 | -178.3 | -66.1 | -178.8 | -177.7 | 173.8 | 0 | 109.5 | L179 E183 E184 R185 | L179-K181 PolarHBondContact O-N 3.17Å; K181-E183 PolarHBondContact O-N 3.17Å; K181-E183 VanDerWaalsContact O-N 3.1Å; K181-E184 HydrophobicContact CB-CG 4.37Å; K181-E184 PolarHBondContact N-OE2 3.04Å; K181-E184 WeakPolarHBondContact O-CB 3.41Å; K181-E184 PolarHBondContact O-N 3.17Å; K181-R185 PolarHBondContact O-N 3.23Å |
| 182 | R | 67.4 | Low | 67.3 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -49.9 | -42.1 | -176.6 | -179.9 | 176 | 171.8 | 177.7 | -3.1 | 111.7 | D90 S186 | D90-R182 IonicContact OD1-NH1 3.42Å; D90-R182 PolarHBondContact OD1-NH1 2.84Å; R182-S186 PolarHBondContact O-N 2.95Å; R182-S186 PolarHBondContact O-OG 2.82Å; R182-S186 VanDerWaalsContact O-OG 3.12Å |
| 183 | E | 74 | Confident | 65.2 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 179.5 | -57.6 | 72.6 | -153.6 | 0 | 0 | 112.3 | K181 A187 | K181-E183 PolarHBondContact O-N 3.17Å; K181-E183 VanDerWaalsContact O-N 3.1Å; E183-A187 PolarHBondContact O-N 2.91Å; E183-A187 VanDerWaalsContact O-N 3.1Å |
| 184 | E | 72.6 | Confident | 63.1 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -42.3 | 179.7 | -65.2 | 165.3 | -175.1 | 0 | 0 | 110.9 | P180 K181 A187 M188 | P180-E184 WeakPolarHBondContact CA-OE2 3.44Å; P180-E184 HydrophobicContact CB-CB 3.86Å; K181-E184 HydrophobicContact CB-CG 4.37Å; K181-E184 PolarHBondContact N-OE2 3.04Å; K181-E184 WeakPolarHBondContact O-CB 3.41Å; K181-E184 PolarHBondContact O-N 3.17Å; E184-A187 PolarHBondContact O-N 2.77Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 2.71Å |
| 185 | R | 69.8 | Low | 62.2 | Low | 34 Ų | 34 | 114.5 Ų | 114.5 | 13% | 0.128 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -63 | -46.4 | 174.3 | -86.5 | -170.2 | -92.7 | 178.5 | -4 | 112.2 | E96 R104 P180 K181 A187 M188 F189 | E96-R185 IonicContact OE2-CZ 3.77Å; E96-R185 IonicContact OE2-NH1 3.14Å; E96-R185 PolarHBondContact OE2-NH1 3.44Å; R104-R185 VanDerWaalsContact CZ-CZ 3.43Å; P180-R185 HydrophobicContact CB-CG 3.93Å; P180-R185 HydrophobicContact CG-CG 3.74Å; P180-R185 PolarHBondContact O-NE 3.44Å; P180-R185 PolarHBondContact O-NH2 2.79Å; K181-R185 PolarHBondContact O-N 3.23Å; R185-A187 PolarHBondContact O-N 2.91Å; R185-M188 PolarHBondContact O-N 3.46Å; R185-M188 VanDerWaalsContact O-N 3.12Å; R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 PolarHBondContact O-N 3.47Å |
| 186 | S | 68.4 | Low | 61.9 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.1 | -28.2 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | R182 K190 | R182-S186 PolarHBondContact O-N 2.95Å; R182-S186 PolarHBondContact O-OG 2.82Å; R182-S186 VanDerWaalsContact O-OG 3.12Å; S186-K190 WeakPolarHBondContact O-CG 3.4Å |
| 187 | A | 71 | Confident | 62.1 | Low | 43 Ų | 43 | 114.4 Ų | 114.4 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.5 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E183 E184 R185 F189 K190 H191 | E183-A187 PolarHBondContact O-N 2.91Å; E183-A187 VanDerWaalsContact O-N 3.1Å; E184-A187 PolarHBondContact O-N 2.77Å; R185-A187 PolarHBondContact O-N 2.91Å; A187-F189 PolarHBondContact O-N 3Å; A187-K190 PolarHBondContact O-N 3.19Å; A187-H191 PolarHBondContact O-CD2 3.04Å |
| 188 | M | 65.8 | Low | 62.2 | Low | 123 Ų | 123 | 113.4 Ų | 113.4 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -41 | 177.8 | -69 | 177.1 | 75.3 | 0 | 0 | 112.7 | P180 E184 R185 K190 H191 | P180-M188 HydrophobicContact CG-SD 4.38Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 2.71Å; R185-M188 PolarHBondContact O-N 3.46Å; R185-M188 VanDerWaalsContact O-N 3.12Å; M188-K190 VanDerWaalsContact C-N 3.32Å; M188-K190 PolarHBondContact O-N 3.03Å; M188-H191 PolarHBondContact O-N 2.84Å |
| 189 | F | 58.1 | Low | 62.2 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 52% | 0.522 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -27.1 | 177.6 | -73.3 | -71.5 | 0 | 0 | 0 | 113.7 | R185 A187 H191 S192 | R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 PolarHBondContact O-N 3.47Å; A187-F189 PolarHBondContact O-N 3Å; F189-H191 VanDerWaalsContact C-N 3.27Å; F189-H191 PolarHBondContact O-N 3.12Å; F189-S192 PolarHBondContact O-OG 2.99Å |
| 190 | K | 59.6 | Low | 62.1 | Low | 154 Ų | 154 | 115.9 Ų | 115.9 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.7 | -21.2 | 175.1 | -72.1 | 178.3 | -179.1 | -177.7 | 0 | 113.4 | S186 A187 M188 | S186-K190 WeakPolarHBondContact O-CG 3.4Å; A187-K190 PolarHBondContact O-N 3.19Å; M188-K190 VanDerWaalsContact C-N 3.32Å; M188-K190 PolarHBondContact O-N 3.03Å |
| 191 | H | 52.6 | Low | 61.6 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 71% | 0.708 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -5 | -178.4 | -66.3 | -56.5 | 0 | 0 | 0 | 113.6 | A187 M188 F189 | A187-H191 PolarHBondContact O-CD2 3.04Å; M188-H191 PolarHBondContact O-N 2.84Å; F189-H191 VanDerWaalsContact C-N 3.27Å; F189-H191 PolarHBondContact O-N 3.12Å |
| 192 | S | 48.3 | Very low | 60.9 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 62% | 0.615 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -97.2 | 3.3 | 176.3 | 79.5 | 0 | 0 | 0 | 0 | 114.2 | F189 F194 | F189-S192 PolarHBondContact O-OG 2.99Å; S192-F194 VanDerWaalsContact C-N 3.32Å |
| 193 | E | 44.8 | Very low | 60.4 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 79% | 0.79 | 59% | 0.592 | S | S | * | * | trans | -91.6 | 22.8 | 175.4 | -75.6 | -169.7 | 152.7 | 0 | 0 | 113.6 | ||||
| 194 | F | 40 | Very low | 59.2 | Low | 263 Ų | 263 | 119.3 Ų | 119.3 | 100% | 1.154 | 59% | 0.588 | S | S | * | * | trans | -122.6 | 0 | 171.9 | -82.1 | -84.1 | 0 | 0 | 0 | 112.3 | S192 | S192-F194 VanDerWaalsContact C-N 3.32Š|
Retrieved 194 of 194 residues in 815.3 ms
(Link to these results)