| 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 | 45.5 | Very low | 47.5 | Very low | 239 Ų | 239 | 135.7 Ų | 135.7 | 100% | 1.177 | 83% | 0.828 | S | S | * | * | 0 | 94.6 | 0 | -65.2 | 171.6 | 179.4 | 0 | 0 | 106.9 | |||||
| 2 | S | 41.8 | Very low | 48 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -93.3 | 114.7 | -177.6 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | N4 | S2-N4 PolarHBondContact O-N 3.28Š| ||
| 3 | V | 50.6 | Low | 48.9 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 71% | 0.709 | 84% | 0.835 | S | S | * | * | trans | -81.1 | 113.8 | 178.4 | -73.7 | 0 | 0 | 0 | 0 | 109.7 | Y5 | V3-Y5 HydrophobicContact CG2-CE2 4.03Å; V3-Y5 PolarHBondContact O-N 3.42Å | ||
| 4 | N | 43.1 | Very low | 49.9 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | trans | -80.5 | 109.7 | 171.7 | -76.7 | -36.8 | 0 | 0 | 0 | 109 | S2 A6 | S2-N4 PolarHBondContact O-N 3.28Å; N4-A6 PolarHBondContact O-N 3.24Å | ||
| 5 | Y | 43.9 | Very low | 51 | Low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -79.8 | 99.9 | 164 | -76.8 | -87 | 0 | 0 | 0 | 108.5 | V3 S7 | V3-Y5 HydrophobicContact CG2-CE2 4.03Å; V3-Y5 PolarHBondContact O-N 3.42Å; Y5-S7 PolarHBondContact O-N 3.47Å; Y5-S7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | A | 49.7 | Very low | 52.5 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 98.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | N4 A8 | N4-A6 PolarHBondContact O-N 3.24Å; A6-A8 PolarHBondContact O-N 3.39Å | ||
| 7 | S | 44.3 | Very low | 53.8 | Low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -69 | 111.7 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | Y5 A9 | Y5-S7 PolarHBondContact O-N 3.47Å; Y5-S7 VanDerWaalsContact O-N 3.09Å; S7-A9 PolarHBondContact O-N 3.46Å | ||
| 8 | A | 52.1 | Low | 55.3 | Low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -56.5 | 122.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A6 | A6-A8 PolarHBondContact O-N 3.39Š| ||
| 9 | A | 47.6 | Very low | 56.6 | Low | 84 Ų | 84 | 138.3 Ų | 138.3 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -65.6 | 140.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | S7 T11 | S7-A9 PolarHBondContact O-N 3.46Å; A9-T11 PolarHBondContact O-N 3.05Å; A9-T11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 49 | Very low | 57.5 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -70.6 | 112.1 | 177.7 | 27.8 | -31.2 | 0 | 0 | 0 | 109.1 | Q12 | P10-Q12 PolarHBondContact O-N 2.97Å; P10-Q12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | T | 54.5 | Low | 58.2 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -53.6 | 115.6 | 165.9 | 52.2 | 0 | 0 | 0 | 0 | 108 | A9 R13 | A9-T11 PolarHBondContact O-N 3.05Å; A9-T11 VanDerWaalsContact O-N 3.11Å; T11-R13 PolarHBondContact O-N 3.24Å | ||
| 12 | Q | 53.7 | Low | 59.7 | Low | 196 Ų | 196 | 128.6 Ų | 128.6 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | trans | -61.8 | 100.5 | 170.3 | -71.3 | -153.9 | -3.5 | 0 | 0 | 108 | P10 S14 | P10-Q12 PolarHBondContact O-N 2.97Å; P10-Q12 VanDerWaalsContact O-N 3.09Å; Q12-S14 PolarHBondContact O-N 3.38Å; Q12-S14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | R | 59.4 | Low | 61.2 | Low | 220 Ų | 220 | 129.3 Ų | 129.3 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | -65.1 | 111.4 | 164.5 | -94.8 | -172.5 | -177.5 | 173.4 | 1.5 | 106.7 | T11 T15 | T11-R13 PolarHBondContact O-N 3.24Å; R13-T15 PolarHBondContact O-N 3.05Å | ||
| 14 | S | 63.2 | Low | 62.2 | Low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -48.3 | 134.8 | 165.7 | -140.4 | 0 | 0 | 0 | 0 | 108.4 | Q12 S16 | Q12-S14 PolarHBondContact O-N 3.38Å; Q12-S14 VanDerWaalsContact O-N 3.09Å; S14-S16 PolarHBondContact O-N 3.27Å | ||
| 15 | T | 67.1 | Low | 63.5 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -47.7 | 109.2 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | R13 | R13-T15 PolarHBondContact O-N 3.05Š| ||
| 16 | S | 74.6 | Confident | 64.3 | Low | 42 Ų | 42 | 128 Ų | 128 | 29% | 0.294 | 70% | 0.7 | S | S | . | * | trans | -80.5 | 131 | 178.6 | 166.7 | 0 | 0 | 0 | 0 | 108.7 | S14 F18 D21 | S14-S16 PolarHBondContact O-N 3.27Å; S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.31Å; S16-F18 WeakPolarHBondContact OG-CD2 3.26Å; S16-D21 WeakPolarHBondContact CB-OD2 3.35Å; S16-D21 WeakPolarHBondContact O-CB 3.43Å; S16-D21 PolarHBondContact OG-OD2 3.18Å | ||
| 17 | F | 74.9 | Confident | 64.9 | Low | 174 Ų | 174 | 128.9 Ų | 128.9 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | trans | -91.9 | 18.4 | -177.1 | -71.8 | -84.5 | 0 | 0 | 0 | 112.8 | ||||
| 18 | F | 80.7 | Confident | 65.3 | Low | 152 Ų | 152 | 132.1 Ų | 132.1 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | -66.6 | 143.6 | 167.8 | -76.5 | -71.7 | 0 | 0 | 0 | 109.8 | S16 E20 D21 I22 | S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.31Å; S16-F18 WeakPolarHBondContact OG-CD2 3.26Å; F18-E20 PolarHBondContact O-N 3.36Å; F18-D21 WeakPolarHBondContact O-CB 3.46Å; F18-D21 PolarHBondContact O-N 3.16Å; F18-I22 PolarHBondContact O-N 2.77Å | ||
| 19 | I | 79.1 | Confident | 65.3 | Low | 130 Ų | 130 | 134 Ų | 134 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -58.6 | -36.3 | -177.6 | -68 | 158.4 | 0 | 0 | 0 | 110.1 | D21 I22 L23 | I19-D21 VanDerWaalsContact C-N 3.34Å; I19-D21 PolarHBondContact O-N 3.14Å; I19-I22 PolarHBondContact O-N 3Å; I19-L23 HydrophobicContact CG2-CD1 3.68Å; I19-L23 HydrophobicContact CG2-CG 4.28Å; I19-L23 VanDerWaalsContact O-CG 3.23Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 2.89Å; I19-L23 VanDerWaalsContact O-N 3.11Å |
| 20 | E | 75.4 | Confident | 65.2 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.5 | -37.7 | 177.6 | -59.5 | -161.4 | -179 | 0 | 0 | 112.6 | F18 L23 L24 | F18-E20 PolarHBondContact O-N 3.36Å; E20-L23 PolarHBondContact O-N 3.39Å; E20-L24 VanDerWaalsContact O-CB 3.31Å; E20-L24 WeakPolarHBondContact O-CB 3.22Å; E20-L24 PolarHBondContact O-N 3.39Å |
| 21 | D | 72 | Confident | 65.5 | Low | 45 Ų | 45 | 142.9 Ų | 142.9 | 24% | 0.241 | 71% | 0.711 | C | S | . | * | H | α-helix | trans | -65.4 | -46.1 | 177.7 | -73.7 | -50.7 | 0 | 0 | 0 | 110.9 | S16 F18 I19 L23 L24 H25 | S16-D21 WeakPolarHBondContact CB-OD2 3.35Å; S16-D21 WeakPolarHBondContact O-CB 3.43Å; S16-D21 PolarHBondContact OG-OD2 3.18Å; F18-D21 WeakPolarHBondContact O-CB 3.46Å; F18-D21 PolarHBondContact O-N 3.16Å; I19-D21 VanDerWaalsContact C-N 3.34Å; I19-D21 PolarHBondContact O-N 3.14Å; D21-L23 PolarHBondContact O-N 3Å; D21-L24 PolarHBondContact O-N 2.91Å; D21-H25 PolarHBondContact O-N 2.99Å; D21-H25 PolarHBondContact O-ND1 2.86Å |
| 22 | I | 76.9 | Confident | 65 | Low | 117 Ų | 117 | 145.6 Ų | 145.6 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -61.3 | -39 | 178.8 | -60.1 | 171.9 | 0 | 0 | 0 | 110.9 | F18 I19 | F18-I22 PolarHBondContact O-N 2.77Å; I19-I22 PolarHBondContact O-N 3Å |
| 23 | L | 74 | Confident | 65 | Low | 133 Ų | 133 | 142.2 Ų | 142.2 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.4 | -28 | -178.6 | -64.9 | 175.8 | 0 | 0 | 0 | 113.2 | I19 E20 D21 | I19-L23 HydrophobicContact CG2-CD1 3.68Å; I19-L23 HydrophobicContact CG2-CG 4.28Å; I19-L23 VanDerWaalsContact O-CG 3.23Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 2.89Å; I19-L23 VanDerWaalsContact O-N 3.11Å; E20-L23 PolarHBondContact O-N 3.39Å; D21-L23 PolarHBondContact O-N 3Å |
| 24 | L | 70.3 | Confident | 64.5 | Low | 137 Ų | 137 | 139 Ų | 139 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -100.5 | -9.4 | -175.9 | -96.8 | 62.3 | 0 | 0 | 0 | 115.4 | E20 D21 K26 | E20-L24 VanDerWaalsContact O-CB 3.31Å; E20-L24 WeakPolarHBondContact O-CB 3.22Å; E20-L24 PolarHBondContact O-N 3.39Å; D21-L24 PolarHBondContact O-N 2.91Å; L24-K26 PolarHBondContact O-N 3.44Å |
| 25 | H | 71.3 | Confident | 64 | Low | 135 Ų | 135 | 139.3 Ų | 139.3 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | trans | -67.5 | 96.1 | 178.7 | -85.1 | 91.5 | 0 | 0 | 0 | 111.5 | D21 | D21-H25 PolarHBondContact O-N 2.99Å; D21-H25 PolarHBondContact O-ND1 2.86Å | ||
| 26 | K | 60.8 | Low | 63.2 | Low | 191 Ų | 191 | 137.9 Ų | 137.9 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119.5 | 164.1 | -146 | 98.2 | 164.5 | -176.1 | 0 | 107.7 | L24 K28 | L24-K26 PolarHBondContact O-N 3.44Å; K26-K28 PolarHBondContact O-N 3.06Å |
| 27 | P | 61.3 | Low | 62.1 | Low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.7 | 179.2 | 24.4 | -32 | 0 | 0 | 0 | 109.7 | ||
| 28 | K | 52.5 | Low | 60.9 | Low | 186 Ų | 186 | 143.7 Ų | 143.7 | 81% | 0.809 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.4 | 176.1 | -70.1 | 171.1 | -178.5 | 168.6 | 0 | 109 | K26 L30 | K26-K28 PolarHBondContact O-N 3.06Å; K28-L30 PolarHBondContact O-N 3.22Å |
| 29 | P | 52.1 | Low | 59.5 | Low | 130 Ų | 130 | 142.5 Ų | 142.5 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 119 | 175.2 | 26.6 | -32.3 | 0 | 0 | 0 | 109 | R31 | P29-R31 PolarHBondContact O-N 2.91Š|
| 30 | L | 47.2 | Very low | 57.7 | Low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 118.9 | 175.5 | -68.1 | 178 | 0 | 0 | 0 | 108.5 | K28 E32 | K28-L30 PolarHBondContact O-N 3.22Å; L30-E32 PolarHBondContact O-N 3.01Å |
| 31 | R | 53.8 | Low | 56.4 | Low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 114.2 | 172.5 | -158.7 | -166.1 | -166.2 | -164.1 | 5.3 | 108 | P29 V33 | P29-R31 PolarHBondContact O-N 2.91Å; R31-V33 PolarHBondContact O-N 3.42Å | ||
| 32 | E | 45.1 | Very low | 55.5 | Low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -65.8 | 117.9 | 177.1 | -66.8 | -174.6 | 171.3 | 0 | 0 | 110.3 | L30 | L30-E32 PolarHBondContact O-N 3.01Š| ||
| 33 | V | 53.7 | Low | 54.1 | Low | 124 Ų | 124 | 146.6 Ų | 146.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -112.8 | 116.3 | 163.2 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | R31 | R31-V33 PolarHBondContact O-N 3.42Š| ||
| 34 | I | 48.4 | Very low | 52.8 | Low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.5 | 180 | -59.7 | 163.4 | 0 | 0 | 0 | 108.7 | ||
| 35 | P | 53.3 | Low | 51.8 | Low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 124.6 | 174.9 | 29.9 | -26.5 | 0 | 0 | 0 | 110.5 | ||
| 36 | A | 49.6 | Very low | 51 | Low | 78 Ų | 78 | 151 Ų | 151 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F38 | A36-F38 PolarHBondContact O-N 3.41Š|
| 37 | P | 50.8 | Low | 50.6 | Low | 130 Ų | 130 | 147.5 Ų | 147.5 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 122.1 | -179.7 | 29.7 | -32.6 | 0 | 0 | 0 | 111 | ||
| 38 | F | 50.5 | Low | 50.4 | Low | 207 Ų | 207 | 149.6 Ų | 149.6 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.1 | 167.7 | -81.2 | -89.7 | 0 | 0 | 0 | 109.7 | A36 | A36-F38 PolarHBondContact O-N 3.41Š|
| 39 | C | 50.7 | Low | 50.4 | Low | 127 Ų | 127 | 148.9 Ų | 148.9 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 120.9 | 172.8 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 40 | S | 42.7 | Very low | 50.5 | Low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 105.9 | 174.6 | 31.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | S | 47.3 | Very low | 50.6 | Low | 106 Ų | 106 | 154.4 Ų | 154.4 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -112.9 | 102.6 | 168 | -159 | 0 | 0 | 0 | 0 | 109 | ||||
| 42 | L | 53.6 | Low | 50.9 | Low | 173 Ų | 173 | 147.1 Ų | 147.1 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -124.3 | 69.6 | 169.3 | -68.4 | 177.8 | 0 | 0 | 0 | 108.4 | ||||
| 43 | T | 47.5 | Very low | 51.3 | Low | 132 Ų | 132 | 148.3 Ų | 148.3 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -112.5 | 138 | 157.7 | -84.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 44 | S | 45.2 | Very low | 51.3 | Low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | 92.2 | 98.3 | 168.1 | -150.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 45 | R | 51 | Low | 51.4 | Low | 220 Ų | 220 | 147.5 Ų | 147.5 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | 157.7 | 102.5 | 106 | -82.5 | -178.3 | 178.6 | -133.4 | -2.6 | 109.2 | |||||
| 46 | M | 54.8 | Low | 52 | Low | 179 Ų | 179 | 148.3 Ų | 148.3 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -134.2 | 129.5 | 154.4 | -79.2 | -64.7 | 139.8 | 0 | 0 | 109.2 | ||||
| 47 | P | 51.7 | Low | 52.1 | Low | 117 Ų | 117 | 150.5 Ų | 150.5 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76 | 140.1 | -172.7 | 30.4 | -32.2 | 0 | 0 | 0 | 111.4 | ||
| 48 | I | 56.5 | Low | 52.4 | Low | 165 Ų | 165 | 148.2 Ų | 148.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 119.6 | 172.8 | -65.1 | 164 | 0 | 0 | 0 | 107.4 | ||
| 49 | L | 52.7 | Low | 52.3 | Low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 125 | 163.7 | -90.7 | 161.7 | 0 | 0 | 0 | 109.2 | Y51 | L49-Y51 PolarHBondContact O-N 3.43Š|
| 50 | E | 54.3 | Low | 52.2 | Low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -77.5 | 91.4 | -175.3 | -175.6 | -179.6 | -155.4 | 0 | 0 | 109.6 | ||||
| 51 | Y | 50.4 | Low | 52.6 | Low | 233 Ų | 233 | 146.8 Ų | 146.8 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -159.4 | 115.2 | 151.3 | -109 | -79.8 | 0 | 0 | 0 | 108.5 | L49 Y53 | L49-Y51 PolarHBondContact O-N 3.43Å; Y51-Y53 PolarHBondContact O-N 2.94Å | ||
| 52 | G | 58.7 | Low | 52.6 | Low | 79 Ų | 79 | 144.4 Ų | 144.4 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | -67.8 | 93.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 53 | Y | 53.3 | Low | 52.3 | Low | 209 Ų | 209 | 141.9 Ų | 141.9 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -129.8 | 121 | 149.2 | -104.1 | -95.3 | 0 | 0 | 0 | 107.4 | Y51 L55 | Y51-Y53 PolarHBondContact O-N 2.94Å; Y53-L55 PolarHBondContact O-N 3.06Å | ||
| 54 | P | 53.5 | Low | 52.1 | Low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -66.3 | 95.1 | 157.3 | 29.1 | -29.2 | 0 | 0 | 0 | 105.5 | I56 | P54-I56 PolarHBondContact O-N 3.03Š| ||
| 55 | L | 51 | Low | 52.5 | Low | 142 Ų | 142 | 143.4 Ų | 143.4 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 91.8 | 159.5 | -126.7 | 117.4 | 0 | 0 | 0 | 104.4 | Y53 | Y53-L55 PolarHBondContact O-N 3.06Š| ||
| 56 | I | 65.3 | Low | 52.3 | Low | 137 Ų | 137 | 140.8 Ų | 140.8 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -36.2 | 127.7 | 154.7 | 37.2 | 168.8 | 0 | 0 | 0 | 106.3 | P54 T58 | P54-I56 PolarHBondContact O-N 3.03Å; I56-T58 VanDerWaalsContact C-N 3.3Å; I56-T58 PolarHBondContact O-N 2.83Å | ||
| 57 | P | 52.8 | Low | 51.8 | Low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -55 | 106 | 173.9 | -20.7 | 30.7 | 0 | 0 | 0 | 106.2 | P59 | P57-P59 WeakPolarHBondContact O-CD 3.12Š| ||
| 58 | T | 56.6 | Low | 52 | Low | 83 Ų | 83 | 139.7 Ų | 139.7 | 51% | 0.509 | 76% | 0.762 | S | S | . | * | trans | -51.5 | 128.8 | 156.8 | 38.1 | 0 | 0 | 0 | 0 | 103.9 | I56 I60 | I56-T58 VanDerWaalsContact C-N 3.3Å; I56-T58 PolarHBondContact O-N 2.83Å; T58-I60 PolarHBondContact O-N 3.47Å | ||
| 59 | P | 48.9 | Very low | 51.4 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 82.7 | 163.9 | 28 | -31.7 | 0 | 0 | 0 | 105.3 | P57 L61 | P57-P59 WeakPolarHBondContact O-CD 3.12Å; P59-L61 VanDerWaalsContact C-N 3.25Å; P59-L61 PolarHBondContact O-N 3.29Å | ||
| 60 | I | 48.1 | Very low | 51.2 | Low | 139 Ų | 139 | 139.4 Ų | 139.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -55.6 | 108.9 | 157.8 | -61.7 | 175.6 | 0 | 0 | 0 | 101.8 | T58 A62 | T58-I60 PolarHBondContact O-N 3.47Å; I60-A62 PolarHBondContact O-N 2.9Å | ||
| 61 | L | 51.9 | Low | 50.6 | Low | 151 Ų | 151 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -41.8 | 93.1 | 166.7 | -171.7 | 71.3 | 0 | 0 | 0 | 106 | P59 | P59-L61 VanDerWaalsContact C-N 3.25Å; P59-L61 PolarHBondContact O-N 3.29Å | ||
| 62 | A | 46.3 | Very low | 49.8 | Very low | 56 Ų | 56 | 133.1 Ų | 133.1 | 46% | 0.463 | 74% | 0.739 | S | S | . | * | trans | -53.7 | 131.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | I60 H64 | I60-A62 PolarHBondContact O-N 2.9Å; A62-H64 PolarHBondContact O-N 2.84Å; A62-H64 PolarHBondContact O-ND1 2.82Å; A62-H64 VanDerWaalsContact O-ND1 3.1Å | ||
| 63 | P | 48 | Very low | 49 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -56.8 | 106.7 | 166.3 | 26 | -29.1 | 0 | 0 | 0 | 103.6 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.33Š| ||
| 64 | H | 43.9 | Very low | 48.5 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | -68.3 | 105.4 | 169.3 | -81 | 60.7 | 0 | 0 | 0 | 104.5 | A62 H66 | A62-H64 PolarHBondContact O-N 2.84Å; A62-H64 PolarHBondContact O-ND1 2.82Å; A62-H64 VanDerWaalsContact O-ND1 3.1Å; H64-H66 PolarHBondContact O-N 2.72Å | ||
| 65 | P | 54 | Low | 48.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -59.6 | 126.9 | 145.7 | 31.3 | -32.4 | 0 | 0 | 0 | 104.7 | P63 | P63-P65 WeakPolarHBondContact O-CD 3.33Š| ||
| 66 | H | 46.7 | Very low | 48.1 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -39.6 | 148.3 | 174.1 | -61.7 | -77.3 | 0 | 0 | 0 | 112.3 | H64 L68 | H64-H66 PolarHBondContact O-N 2.72Å; H66-L68 PolarHBondContact O-N 3.47Å | ||
| 67 | P | 42.6 | Very low | 47 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | trans | -65.6 | 89 | 163.9 | 29.6 | -31.3 | 0 | 0 | 0 | 108.3 | H69 | P67-H69 PolarHBondContact O-N 3.36Š| ||
| 68 | L | 56.1 | Low | 46.8 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -84.4 | 63.3 | 156.7 | -170.6 | 71.9 | 0 | 0 | 0 | 107.2 | H66 K70 | H66-L68 PolarHBondContact O-N 3.47Å; L68-K70 PolarHBondContact O-N 3.07Å | ||
| 69 | H | 44.7 | Very low | 46.6 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -86.2 | 101.8 | 169.1 | -149 | 85.5 | 0 | 0 | 0 | 107.5 | P67 P71 | P67-H69 PolarHBondContact O-N 3.36Å; H69-P71 WeakPolarHBondContact O-CD 3.29Å | ||
| 70 | K | 48 | Very low | 46.4 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -70.7 | 119.7 | 158.8 | -66.7 | 171.2 | 175.6 | 172.2 | 0 | 106.6 | L68 E72 | L68-K70 PolarHBondContact O-N 3.07Å; K70-E72 PolarHBondContact O-N 3.34Å | ||
| 71 | P | 41.2 | Very low | 46.6 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -76.1 | 103.9 | 160.2 | 30.4 | -26.5 | 0 | 0 | 0 | 107.8 | H69 | H69-P71 WeakPolarHBondContact O-CD 3.29Š| ||
| 72 | E | 34.9 | Very low | 46.9 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | 25.1 | 141.3 | 124.1 | -152.5 | 133.3 | 141.5 | 0 | 0 | 120.9 | K70 | K70-E72 PolarHBondContact O-N 3.34Š| |||
| 73 | H | 41.3 | Very low | 47.3 | Very low | 119 Ų | 119 | 136 Ų | 136 | 55% | 0.551 | 71% | 0.707 | S | S | * | * | trans | 66.4 | 129.7 | 170.6 | -97.3 | -113.5 | 0 | 0 | 0 | 114.1 | Q75 | H73-Q75 PolarHBondContact CE1-OE1 3.37Å; H73-Q75 VanDerWaalsContact CE1-OE1 3.28Å | ||
| 74 | H | 43.4 | Very low | 47.6 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 69% | 0.688 | S | S | * | * | -142.1 | 129.8 | 52.3 | -62.4 | 61.3 | 0 | 0 | 0 | 110.6 | Y76 | H74-Y76 PolarHBondContact O-N 2.86Š| |||
| 75 | Q | 48.2 | Very low | 48 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | trans | -41.8 | 129.4 | 139.6 | -65.1 | 160.9 | -66.7 | 0 | 0 | 106.5 | H73 | H73-Q75 PolarHBondContact CE1-OE1 3.37Å; H73-Q75 VanDerWaalsContact CE1-OE1 3.28Å | ||
| 76 | Y | 46.8 | Very low | 48 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | -167.5 | 175.7 | 80.2 | -59.7 | -72 | 0 | 0 | 0 | 107.8 | H74 | H74-Y76 PolarHBondContact O-N 2.86Š| |||
| 77 | F | 41.7 | Very low | 48.4 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 40% | 0.404 | 68% | 0.675 | S | S | . | * | trans | 85.7 | 102.8 | 171.2 | -48.8 | -81 | 0 | 0 | 0 | 114.1 | M82 M84 | F77-M82 HydrophobicContact CD1-CB 3.82Å; F77-M82 HydrophobicContact CD1-CE 4.45Å; F77-M82 HydrophobicContact CD1-SD 4.12Å; F77-M82 HydrophobicContact CE1-CB 3.47Å; F77-M82 VanDerWaalsContact CE1-CB 3.47Å; F77-M82 HydrophobicContact CE1-CE 3.36Å; F77-M82 HydrophobicContact CE1-CG 4.1Å; F77-M82 HydrophobicContact CE1-SD 3.55Å; F77-M82 VanDerWaalsContact CE1-SD 3.55Å; F77-M82 HydrophobicContact CZ-CE 3.52Å; F77-M82 HydrophobicContact CZ-SD 4.2Å; F77-M84 HydrophobicContact CB-CE 4.16Å; F77-M84 HydrophobicContact CB-SD 3.61Å; F77-M84 HydrophobicContact CD1-SD 4.03Å; F77-M84 HydrophobicContact CG-SD 3.97Å | ||
| 78 | F | 48.5 | Very low | 49 | Very low | 162 Ų | 162 | 132 Ų | 132 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | cis | -133.3 | 95 | 48.3 | -74.9 | -99.7 | 0 | 0 | 0 | 113.6 | M84 | F78-M84 HydrophobicContact CD1-CG 3.93Å; F78-M84 HydrophobicContact CD1-SD 3.91Å; F78-M84 HydrophobicContact CD2-SD 4.45Å; F78-M84 HydrophobicContact CE1-CB 4.43Å; F78-M84 HydrophobicContact CE1-CE 3.99Å; F78-M84 HydrophobicContact CE1-CG 3.04Å; F78-M84 HydrophobicContact CE1-SD 3.4Å; F78-M84 WeakPolarHBondContact CE1-SD 3.47Å; F78-M84 HydrophobicContact CE2-CE 3.61Å; F78-M84 HydrophobicContact CE2-CG 4.43Å; F78-M84 HydrophobicContact CE2-SD 3.95Å; F78-M84 HydrophobicContact CG-SD 4.44Å; F78-M84 HydrophobicContact CZ-CE 3.32Å; F78-M84 HydrophobicContact CZ-CG 3.36Å; F78-M84 HydrophobicContact CZ-SD 3.42Å; F78-M84 WeakPolarHBondContact CZ-SD 3.25Å | ||
| 79 | T | 53.5 | Low | 48.6 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | trans | -67.1 | 130.8 | 146.7 | 15.9 | 0 | 0 | 0 | 0 | 108.5 | G81 M82 | T79-G81 PolarHBondContact O-N 2.98Å; T79-G81 VanDerWaalsContact O-N 3.11Å; T79-M82 PolarHBondContact OG1-SD 3.49Å | ||
| 80 | P | 44 | Very low | 49 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 90% | 0.903 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 114.9 | 170.1 | -12.8 | 26.9 | 0 | 0 | 0 | 108.1 | ||
| 81 | G | 52.1 | Low | 48.8 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.2 | -4.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T79 | T79-G81 PolarHBondContact O-N 2.98Å; T79-G81 VanDerWaalsContact O-N 3.11Å |
| 82 | M | 58.1 | Low | 49.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 49% | 0.493 | 67% | 0.667 | S | S | . | * | trans | -108.7 | 122.2 | 172 | -57.2 | 173.7 | 80.6 | 0 | 0 | 111.3 | F77 T79 M84 | F77-M82 HydrophobicContact CD1-CB 3.82Å; F77-M82 HydrophobicContact CD1-CE 4.45Å; F77-M82 HydrophobicContact CD1-SD 4.12Å; F77-M82 HydrophobicContact CE1-CB 3.47Å; F77-M82 VanDerWaalsContact CE1-CB 3.47Å; F77-M82 HydrophobicContact CE1-CE 3.36Å; F77-M82 HydrophobicContact CE1-CG 4.1Å; F77-M82 HydrophobicContact CE1-SD 3.55Å; F77-M82 VanDerWaalsContact CE1-SD 3.55Å; F77-M82 HydrophobicContact CZ-CE 3.52Å; F77-M82 HydrophobicContact CZ-SD 4.2Å; T79-M82 PolarHBondContact OG1-SD 3.49Å; M82-M84 PolarHBondContact O-N 3.24Å | ||
| 83 | Q | 54.4 | Low | 49.8 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.6 | 177.6 | -65.2 | -172.8 | 81.4 | 0 | 0 | 110.1 | ||
| 84 | M | 55.2 | Low | 50.3 | Low | 76 Ų | 76 | 131 Ų | 131 | 37% | 0.374 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 136.5 | 171.1 | -66.8 | -60.7 | -72.3 | 0 | 0 | 109.8 | F77 F78 M82 A86 | F77-M84 HydrophobicContact CB-CE 4.16Å; F77-M84 HydrophobicContact CB-SD 3.61Å; F77-M84 HydrophobicContact CD1-SD 4.03Å; F77-M84 HydrophobicContact CG-SD 3.97Å; F78-M84 HydrophobicContact CD1-CG 3.93Å; F78-M84 HydrophobicContact CD1-SD 3.91Å; F78-M84 HydrophobicContact CD2-SD 4.45Å; F78-M84 HydrophobicContact CE1-CB 4.43Å; F78-M84 HydrophobicContact CE1-CE 3.99Å; F78-M84 HydrophobicContact CE1-CG 3.04Å; F78-M84 HydrophobicContact CE1-SD 3.4Å; F78-M84 WeakPolarHBondContact CE1-SD 3.47Å; F78-M84 HydrophobicContact CE2-CE 3.61Å; F78-M84 HydrophobicContact CE2-CG 4.43Å; F78-M84 HydrophobicContact CE2-SD 3.95Å; F78-M84 HydrophobicContact CG-SD 4.44Å; F78-M84 HydrophobicContact CZ-CE 3.32Å; F78-M84 HydrophobicContact CZ-CG 3.36Å; F78-M84 HydrophobicContact CZ-SD 3.42Å; F78-M84 WeakPolarHBondContact CZ-SD 3.25Å; M82-M84 PolarHBondContact O-N 3.24Å; M84-A86 PolarHBondContact O-N 2.91Å |
| 85 | P | 51.8 | Low | 50.7 | Low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.2 | 164.3 | -2.5 | 17.7 | 0 | 0 | 0 | 106.6 | L87 | P85-L87 PolarHBondContact O-N 3.13Š|
| 86 | A | 54.6 | Low | 51 | Low | 53 Ų | 53 | 126.2 Ų | 126.2 | 44% | 0.438 | 69% | 0.685 | S | S | . | * | trans | -53.7 | 106.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | M84 F88 Q89 | M84-A86 PolarHBondContact O-N 2.91Å; A86-F88 PolarHBondContact O-N 3.01Å; A86-Q89 HydrophobicContact CB-CB 4.39Å; A86-Q89 VanDerWaalsContact O-CB 3.29Å; A86-Q89 WeakPolarHBondContact O-CB 3.34Å; A86-Q89 PolarHBondContact O-N 3.37Å | ||
| 87 | L | 54.2 | Low | 51.4 | Low | 158 Ų | 158 | 127.4 Ų | 127.4 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 9.1 | 171.5 | -65.8 | -179.1 | 0 | 0 | 0 | 112.6 | P85 | P85-L87 PolarHBondContact O-N 3.13Š|
| 88 | F | 56.9 | Low | 52.2 | Low | 199 Ų | 199 | 131 Ų | 131 | 87% | 0.873 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 26.3 | 164.7 | -63 | -79.7 | 0 | 0 | 0 | 111.6 | A86 H90 | A86-F88 PolarHBondContact O-N 3.01Å; F88-H90 PolarHBondContact O-N 3.16Å |
| 89 | Q | 46.6 | Very low | 52.8 | Low | 127 Ų | 127 | 129 Ų | 129 | 59% | 0.593 | 72% | 0.716 | S | S | * | * | trans | -70.6 | 117.4 | 167.5 | -158.6 | 98.8 | 26 | 0 | 0 | 108 | A86 H91 | A86-Q89 HydrophobicContact CB-CB 4.39Å; A86-Q89 VanDerWaalsContact O-CB 3.29Å; A86-Q89 WeakPolarHBondContact O-CB 3.34Å; A86-Q89 PolarHBondContact O-N 3.37Å; Q89-H91 VanDerWaalsContact C-N 3.3Å; Q89-H91 PolarHBondContact O-N 2.82Å | ||
| 90 | H | 52.8 | Low | 53.3 | Low | 190 Ų | 190 | 136.3 Ų | 136.3 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | trans | -50.7 | 96.7 | 158.6 | -82.8 | -103.6 | 0 | 0 | 0 | 108.8 | F88 | F88-H90 PolarHBondContact O-N 3.16Š| ||
| 91 | H | 44 | Very low | 54.7 | Low | 145 Ų | 145 | 140.6 Ų | 140.6 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | -107.7 | 97.7 | 164.1 | -103.5 | -82.7 | 0 | 0 | 0 | 107.9 | Q89 | Q89-H91 VanDerWaalsContact C-N 3.3Å; Q89-H91 PolarHBondContact O-N 2.82Å | ||
| 92 | A | 48 | Very low | 56.1 | Low | 76 Ų | 76 | 148.2 Ų | 148.2 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | trans | -53.5 | 147.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 93 | E | 49 | Very low | 57.1 | Low | 169 Ų | 169 | 152.9 Ų | 152.9 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 69.3 | 170.9 | -43.6 | -62.2 | 138.4 | 0 | 0 | 117.1 | ||||
| 94 | L | 51.7 | Low | 58.7 | Low | 148 Ų | 148 | 148 Ų | 148 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -148.2 | 125.7 | 146.7 | -78.4 | -173 | 0 | 0 | 0 | 111.7 | ||||
| 95 | P | 52.3 | Low | 60.4 | Low | 131 Ų | 131 | 156.1 Ų | 156.1 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -84.9 | 131.9 | -175.3 | 33.4 | -31.5 | 0 | 0 | 0 | 111.3 | ||||
| 96 | G | 54.4 | Low | 62.3 | Low | 60 Ų | 60 | 155.9 Ų | 155.9 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | 124.6 | -4.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | H98 | G96-H98 PolarHBondContact O-N 3.32Š| ||
| 97 | K | 56.5 | Low | 64.3 | Low | 192 Ų | 192 | 160 Ų | 160 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -104 | 79.7 | 178.2 | -43.1 | -175.6 | -164.3 | -173.8 | 0 | 110.5 | C99 | K97-C99 VanDerWaalsContact C-N 3.29Å; K97-C99 PolarHBondContact O-N 2.99Å | ||
| 98 | H | 57.4 | Low | 66.4 | Low | 169 Ų | 169 | 154.4 Ų | 154.4 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 86.8 | 176.3 | -63.1 | 87.6 | 0 | 0 | 0 | 110 | G96 R100 | G96-H98 PolarHBondContact O-N 3.32Å; H98-R100 VanDerWaalsContact C-N 3.35Å; H98-R100 PolarHBondContact O-N 2.96Å | ||
| 99 | C | 60.7 | Low | 68.4 | Low | 119 Ų | 119 | 147.8 Ų | 147.8 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -54.2 | 103.9 | 157 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | K97 R101 | K97-C99 VanDerWaalsContact C-N 3.29Å; K97-C99 PolarHBondContact O-N 2.99Å; C99-R101 PolarHBondContact O-N 3.19Å | ||
| 100 | R | 65.2 | Low | 70.8 | Confident | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -65.8 | 87.8 | 177.6 | -74.8 | -159.9 | -164.1 | -102.1 | 8.8 | 107.9 | H98 R102 | H98-R100 VanDerWaalsContact C-N 3.35Å; H98-R100 PolarHBondContact O-N 2.96Å; R100-R102 PolarHBondContact O-N 3.27Å; R100-R102 VanDerWaalsContact O-N 3.13Å | ||
| 101 | R | 73.4 | Confident | 73 | Confident | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.8 | 172.5 | -166 | -179.5 | -103.1 | -144.5 | -1.7 | 107.2 | C99 K103 | C99-R101 PolarHBondContact O-N 3.19Å; R101-K103 PolarHBondContact O-N 3.2Å |
| 102 | R | 80.6 | Confident | 75.6 | Confident | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.906 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.6 | 176.5 | -76.8 | -171.3 | -83.9 | 153.5 | -6 | 108 | R100 A104 | R100-R102 PolarHBondContact O-N 3.27Å; R100-R102 VanDerWaalsContact O-N 3.13Å; R102-A104 PolarHBondContact O-N 3.18Å |
| 103 | K | 80 | Confident | 78 | Confident | 198 Ų | 198 | 137.8 Ų | 137.8 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.7 | 174.1 | -81.5 | 80.6 | 152.9 | -170.8 | 0 | 108.7 | R101 | R101-K103 PolarHBondContact O-N 3.2Š|
| 104 | A | 87.7 | Confident | 80.4 | Confident | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 149.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R102 | R102-A104 PolarHBondContact O-N 3.18Š|
| 105 | R | 91.8 | Very high | 82.6 | Confident | 245 Ų | 245 | 127.5 Ų | 127.5 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 135.3 | 176.4 | -69.4 | -177.7 | 178.5 | 174.4 | 0.1 | 109.2 | ||
| 106 | T | 91.4 | Very high | 84.8 | Confident | 98 Ų | 98 | 121.3 Ų | 121.3 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -90 | 141.7 | 174.1 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 107 | V | 95.8 | Very high | 86.9 | Confident | 139 Ų | 139 | 120.8 Ų | 120.8 | 84% | 0.842 | 60% | 0.598 | S | S | * | * | trans | -109.2 | 137.8 | 170.4 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 108 | F | 98.3 | Very high | 89 | Confident | 41 Ų | 41 | 118.8 Ų | 118.8 | 18% | 0.18 | 59% | 0.589 | C | S | . | * | trans | -87.1 | 146.6 | 175.8 | -58.2 | -50.5 | 0 | 0 | 0 | 110.1 | Q112 L113 L140 Q144 W148 | F108-Q112 HydrophobicContact CB-CB 4.28Å; F108-L113 HydrophobicContact CB-CD2 3.92Å; F108-L113 HydrophobicContact CB-CG 4.08Å; F108-L113 HydrophobicContact CD2-CD2 4.15Å; F108-L140 HydrophobicContact CD1-CD1 4.33Å; F108-L140 HydrophobicContact CD1-CD2 3.76Å; F108-L140 HydrophobicContact CE1-CD1 4.28Å; F108-L140 HydrophobicContact CE1-CD2 3.71Å; F108-Q144 HydrophobicContact CE1-CB 4.19Å; F108-Q144 HydrophobicContact CE1-CG 4.25Å; F108-Q144 HydrophobicContact CZ-CB 3.97Å; F108-Q144 HydrophobicContact CZ-CG 4.21Å; F108-W148 AromaticContact CD2-CD1 3.79Å; F108-W148 HydrophobicContact CE2-CB 4.38Å; F108-W148 AromaticContact CE2-CD1 3.67Å; F108-W148 HydrophobicContact CE2-CG 4.38Å | ||
| 109 | S | 98.5 | Very high | 90.9 | Very high | 59 Ų | 59 | 114 Ų | 114 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | trans | -69.2 | 160.9 | 172.8 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | S111 Q112 L113 | S109-S111 VanDerWaalsContact C-N 3.33Å; S109-S111 PolarHBondContact O-N 3.2Å; S109-Q112 WeakPolarHBondContact O-CB 3.42Å; S109-Q112 PolarHBondContact O-N 2.89Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; S109-Q112 VanDerWaalsContact OG-CD 3.29Å; S109-Q112 VanDerWaalsContact OG-CG 3.26Å; S109-Q112 WeakPolarHBondContact OG-CG 3.35Å; S109-Q112 PolarHBondContact OG-N 3.07Å; S109-Q112 PolarHBondContact OG-OE1 3.43Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 3.49Å | ||
| 110 | D | 98.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 108.6 Ų | 108.6 | 70% | 0.695 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 179.8 | -66 | -29.3 | 0 | 0 | 0 | 112.2 | Q112 L113 S114 | D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.03Å; D110-L113 PolarHBondContact O-N 3.13Å; D110-L113 VanDerWaalsContact O-N 3.14Å; D110-S114 PolarHBondContact O-N 3.33Å; D110-S114 PolarHBondContact O-OG 3.34Å |
| 111 | S | 98.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.8 | -43 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | S109 S114 G115 | S109-S111 VanDerWaalsContact C-N 3.33Å; S109-S111 PolarHBondContact O-N 3.2Å; S111-S114 PolarHBondContact O-N 3.35Å; S111-G115 PolarHBondContact O-N 3.16Å |
| 112 | Q | 98.6 | Very high | 95.5 | Very high | 38 Ų | 38 | 98.4 Ų | 98.4 | 18% | 0.178 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176 | -72 | 169 | -37.4 | 0 | 0 | 111.8 | F108 S109 D110 G115 L116 L138 | F108-Q112 HydrophobicContact CB-CB 4.28Å; S109-Q112 WeakPolarHBondContact O-CB 3.42Å; S109-Q112 PolarHBondContact O-N 2.89Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; S109-Q112 VanDerWaalsContact OG-CD 3.29Å; S109-Q112 VanDerWaalsContact OG-CG 3.26Å; S109-Q112 WeakPolarHBondContact OG-CG 3.35Å; S109-Q112 PolarHBondContact OG-N 3.07Å; S109-Q112 PolarHBondContact OG-OE1 3.43Å; D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.03Å; Q112-G115 PolarHBondContact O-N 3.36Å; Q112-L116 WeakPolarHBondContact O-CB 3.31Å; Q112-L116 WeakPolarHBondContact O-CD1 3.43Å; Q112-L116 VanDerWaalsContact O-CG 3.22Å; Q112-L116 WeakPolarHBondContact O-CG 3.3Å; Q112-L116 PolarHBondContact O-N 2.91Å; Q112-L138 PolarHBondContact NE2-O 3.44Å |
| 113 | L | 98.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 89.1 Ų | 89.1 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.5 | -68 | 175.4 | 0 | 0 | 0 | 111.6 | F108 S109 D110 L116 E117 | F108-L113 HydrophobicContact CB-CD2 3.92Å; F108-L113 HydrophobicContact CB-CG 4.08Å; F108-L113 HydrophobicContact CD2-CD2 4.15Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 3.49Å; D110-L113 PolarHBondContact O-N 3.13Å; D110-L113 VanDerWaalsContact O-N 3.14Å; L113-L116 PolarHBondContact O-N 3.26Å; L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 PolarHBondContact O-N 3.38Å |
| 114 | S | 98.6 | Very high | 97.2 | Very high | 80 Ų | 80 | 85.1 Ų | 85.1 | 56% | 0.559 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 112 | D110 S111 E117 K118 | D110-S114 PolarHBondContact O-N 3.33Å; D110-S114 PolarHBondContact O-OG 3.34Å; S111-S114 PolarHBondContact O-N 3.35Å; S114-E117 PolarHBondContact O-N 2.89Å; S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 PolarHBondContact O-N 3.46Å |
| 115 | G | 98.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 88 Ų | 88 | 22% | 0.216 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S111 Q112 R119 | S111-G115 PolarHBondContact O-N 3.16Å; Q112-G115 PolarHBondContact O-N 3.36Å; G115-R119 PolarHBondContact O-N 2.78Å; G115-R119 VanDerWaalsContact O-N 3.16Å |
| 116 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176 | -71.5 | 165.7 | 0 | 0 | 0 | 112 | Q112 L113 F120 L134 L138 L140 V145 W148 F149 | Q112-L116 WeakPolarHBondContact O-CB 3.31Å; Q112-L116 WeakPolarHBondContact O-CD1 3.43Å; Q112-L116 VanDerWaalsContact O-CG 3.22Å; Q112-L116 WeakPolarHBondContact O-CG 3.3Å; Q112-L116 PolarHBondContact O-N 2.91Å; L113-L116 PolarHBondContact O-N 3.26Å; L116-F120 WeakPolarHBondContact O-CB 3.47Å; L116-F120 PolarHBondContact O-N 2.95Å; L116-L134 HydrophobicContact CD2-CD2 4.01Å; L116-L138 HydrophobicContact CD2-CD1 3.84Å; L116-L138 HydrophobicContact CG-CD1 3.68Å; L116-L140 HydrophobicContact CD1-CD1 4.08Å; L116-V145 HydrophobicContact CD2-CG1 4.32Å; L116-V145 HydrophobicContact CD2-CG2 4.44Å; L116-W148 HydrophobicContact CB-CD2 3.93Å; L116-W148 HydrophobicContact CB-CE3 3.85Å; L116-W148 HydrophobicContact CB-CH2 3.65Å; L116-W148 HydrophobicContact CB-CZ2 3.7Å; L116-W148 HydrophobicContact CB-CZ3 3.72Å; L116-W148 HydrophobicContact CD1-CB 4.43Å; L116-W148 HydrophobicContact CD1-CD2 3.78Å; L116-W148 HydrophobicContact CD1-CE3 4.39Å; L116-W148 HydrophobicContact CD1-CG 3.76Å; L116-W148 HydrophobicContact CD2-CD2 4.38Å; L116-W148 HydrophobicContact CD2-CE3 4.23Å; L116-W148 HydrophobicContact CG-CD2 4.24Å; L116-W148 HydrophobicContact CG-CE3 4.38Å; L116-F149 HydrophobicContact CD2-CE2 3.99Å |
| 117 | E | 98.8 | Very high | 98.4 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 179.3 | -164.4 | 67.8 | -144.9 | 0 | 0 | 111.3 | L113 S114 R119 F120 E121 W148 R152 | L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 PolarHBondContact O-N 3.38Å; S114-E117 PolarHBondContact O-N 2.89Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.98Å; E117-F120 WeakPolarHBondContact O-CA 3.41Å; E117-F120 WeakPolarHBondContact O-CB 3.31Å; E117-F120 PolarHBondContact O-N 2.83Å; E117-E121 WeakPolarHBondContact O-CG 3.48Å; E117-E121 PolarHBondContact O-N 3.12Å; E117-W148 HydrophobicContact CB-CH2 4.43Å; E117-W148 WeakPolarHBondContact OE2-CH2 3.41Å; E117-R152 VanDerWaalsContact CD-NE 3.3Å; E117-R152 IonicContact OE1-CZ 3.19Å; E117-R152 IonicContact OE1-NE 2.83Å; E117-R152 PolarHBondContact OE1-NE 2.89Å; E117-R152 IonicContact OE1-NH2 2.7Å; E117-R152 PolarHBondContact OE1-NH2 3.11Å; E117-R152 WeakPolarHBondContact OE2-CD 3.47Å; E117-R152 IonicContact OE2-CZ 3.82Å; E117-R152 IonicContact OE2-NE 2.89Å; E117-R152 PolarHBondContact OE2-NE 3.42Å; E117-R152 IonicContact OE2-NH2 3.95Å |
| 118 | K | 98.7 | Very high | 98.5 | Very high | 149 Ų | 149 | 72.8 Ų | 72.8 | 65% | 0.648 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.9 | -46.1 | 176.2 | -176.8 | 179.3 | -178.4 | -179.7 | 0 | 111.6 | S114 F120 | S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 PolarHBondContact O-N 3.46Å; K118-F120 VanDerWaalsContact C-N 3.35Å |
| 119 | R | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 176.7 | -173 | 63.6 | -177.4 | -160.3 | 4.2 | 111.9 | G115 E117 I122 Q123 L126 E130 L134 F149 | G115-R119 PolarHBondContact O-N 2.78Å; G115-R119 VanDerWaalsContact O-N 3.16Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.98Å; R119-I122 PolarHBondContact O-N 3.38Å; R119-Q123 PolarHBondContact O-N 2.7Å; R119-L126 HydrophobicContact CG-CD2 4.08Å; R119-E130 IonicContact NH2-OE1 3.33Å; R119-E130 PolarHBondContact NH2-OE1 2.89Å; R119-L134 HydrophobicContact CB-CD1 4.3Å; R119-L134 HydrophobicContact CB-CD2 4.13Å; R119-L134 HydrophobicContact CG-CD2 4.03Å; R119-F149 HydrophobicContact CB-CZ 4.41Å; R119-F149 HydrophobicContact CG-CZ 4.29Å |
| 120 | F | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | -179.8 | -176.9 | -97.2 | 0 | 0 | 0 | 113.6 | L116 E117 K118 I122 Q123 R124 W148 F149 R152 R153 H156 | L116-F120 WeakPolarHBondContact O-CB 3.47Å; L116-F120 PolarHBondContact O-N 2.95Å; E117-F120 WeakPolarHBondContact O-CA 3.41Å; E117-F120 WeakPolarHBondContact O-CB 3.31Å; E117-F120 PolarHBondContact O-N 2.83Å; K118-F120 VanDerWaalsContact C-N 3.35Å; F120-I122 VanDerWaalsContact C-N 3.31Å; F120-Q123 CarbonylContact O-C 3.38Å; F120-Q123 PolarHBondContact O-N 3.4Å; F120-R124 HydrophobicContact CE1-CG 4.16Å; F120-R124 HydrophobicContact CE2-CB 4.01Å; F120-R124 HydrophobicContact CE2-CG 4.07Å; F120-R124 HydrophobicContact CZ-CB 4.21Å; F120-R124 HydrophobicContact CZ-CG 3.84Å; F120-W148 HydrophobicContact CB-CH2 4.4Å; F120-W148 HydrophobicContact CB-CZ3 4.12Å; F120-W148 HydrophobicContact CD2-CZ3 4.5Å; F120-W148 HydrophobicContact CG-CZ3 4.45Å; F120-F149 HydrophobicContact CB-CE1 4.24Å; F120-F149 HydrophobicContact CB-CZ 4.34Å; F120-F149 AromaticContact CD2-CD1 3.87Å; F120-F149 HydrophobicContact CD2-CD1 3.87Å; F120-F149 AromaticContact CD2-CE1 3.82Å; F120-F149 HydrophobicContact CD2-CE1 3.82Å; F120-R152 HydrophobicContact CD1-CG 3.66Å; F120-R152 HydrophobicContact CD2-CB 4.27Å; F120-R152 HydrophobicContact CD2-CG 3.67Å; F120-R152 HydrophobicContact CE1-CG 3.65Å; F120-R152 HydrophobicContact CE2-CB 4.14Å; F120-R152 HydrophobicContact CE2-CG 3.67Å; F120-R152 HydrophobicContact CG-CG 3.68Å; F120-R152 HydrophobicContact CZ-CB 4.44Å; F120-R152 HydrophobicContact CZ-CG 3.65Å; F120-R153 HydrophobicContact CE2-CG 3.71Å; F120-R153 HydrophobicContact CZ-CG 4.1Å; F120-H156 HydrophobicContact CE1-CB 4.43Å; F120-H156 HydrophobicContact CZ-CB 4.31Å |
| 121 | E | 98.4 | Very high | 98.5 | Very high | 127 Ų | 127 | 70.6 Ų | 70.6 | 59% | 0.593 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 176.3 | -73.3 | 172.5 | 176.9 | 0 | 0 | 111.5 | E117 | E117-E121 WeakPolarHBondContact O-CG 3.48Å; E117-E121 PolarHBondContact O-N 3.12Å |
| 122 | I | 98.3 | Very high | 98.6 | Very high | 124 Ų | 124 | 68.9 Ų | 68.9 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.1 | -46.7 | 176.7 | -57.4 | 165.8 | 0 | 0 | 0 | 110.2 | R119 F120 | R119-I122 PolarHBondContact O-N 3.38Å; F120-I122 VanDerWaalsContact C-N 3.31Å |
| 123 | Q | 98.3 | Very high | 98.6 | Very high | 46 Ų | 46 | 73.2 Ų | 73.2 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | trans | -144.2 | 110.6 | -170.1 | -173 | 179.7 | -17.1 | 0 | 0 | 112 | R119 F120 Y125 L126 E130 F149 | R119-Q123 PolarHBondContact O-N 2.7Å; F120-Q123 CarbonylContact O-C 3.38Å; F120-Q123 PolarHBondContact O-N 3.4Å; Q123-Y125 VanDerWaalsContact C-N 3.3Å; Q123-Y125 VanDerWaalsContact CG-O 3.24Å; Q123-Y125 WeakPolarHBondContact CG-O 3.4Å; Q123-Y125 PolarHBondContact NE2-O 2.96Å; Q123-Y125 PolarHBondContact O-N 2.89Å; Q123-L126 HydrophobicContact CB-CD2 4.47Å; Q123-L126 HydrophobicContact CG-CD2 4.21Å; Q123-E130 PolarHBondContact NE2-OE1 3.39Å; Q123-E130 PolarHBondContact NE2-OE2 3.36Å; Q123-E130 PolarHBondContact OE1-OE1 2.77Å; Q123-F149 WeakPolarHBondContact O-CE1 3.4Å | ||
| 124 | R | 98.3 | Very high | 98.6 | Very high | 113 Ų | 113 | 71.1 Ų | 71.1 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.5 | -15.6 | -174.6 | -68.9 | 170 | 167.1 | 78.5 | -4.2 | 114.1 | F120 R153 H156 | F120-R124 HydrophobicContact CE1-CG 4.16Å; F120-R124 HydrophobicContact CE2-CB 4.01Å; F120-R124 HydrophobicContact CE2-CG 4.07Å; F120-R124 HydrophobicContact CZ-CB 4.21Å; F120-R124 HydrophobicContact CZ-CG 3.84Å; R124-R153 VanDerWaalsContact O-CD 3.29Å; R124-R153 WeakPolarHBondContact O-CD 2.96Å; R124-H156 PolarHBondContact NE-CE1 3.18Å; R124-H156 PolarHBondContact NE-ND1 3.49Å |
| 125 | Y | 98.6 | Very high | 98.6 | Very high | 154 Ų | 154 | 67.5 Ų | 67.5 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -136.9 | 119.9 | -177.3 | -65.6 | -101.5 | 0 | 0 | 0 | 109.3 | Q123 R153 | Q123-Y125 VanDerWaalsContact C-N 3.3Å; Q123-Y125 VanDerWaalsContact CG-O 3.24Å; Q123-Y125 WeakPolarHBondContact CG-O 3.4Å; Q123-Y125 PolarHBondContact NE2-O 2.96Å; Q123-Y125 PolarHBondContact O-N 2.89Å; Y125-R153 VanDerWaalsContact CE1-CD 3.47Å; Y125-R153 VanDerWaalsContact CZ-CD 3.44Å |
| 126 | L | 98.5 | Very high | 98.6 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | trans | -96.1 | 136.1 | 177.2 | -58.4 | -179.8 | 0 | 0 | 0 | 110.8 | R119 Q123 E130 L134 V145 F149 | R119-L126 HydrophobicContact CG-CD2 4.08Å; Q123-L126 HydrophobicContact CB-CD2 4.47Å; Q123-L126 HydrophobicContact CG-CD2 4.21Å; L126-E130 HydrophobicContact CB-CB 4.36Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; L126-L134 HydrophobicContact CD1-CD2 3.74Å; L126-V145 HydrophobicContact CD1-CG1 4.11Å; L126-F149 HydrophobicContact CD1-CD1 4.19Å; L126-F149 HydrophobicContact CD1-CD2 4.04Å; L126-F149 HydrophobicContact CD1-CE1 3.74Å; L126-F149 HydrophobicContact CD1-CE2 3.6Å; L126-F149 HydrophobicContact CD1-CG 4.33Å; L126-F149 HydrophobicContact CD1-CZ 3.44Å; L126-F149 VanDerWaalsContact CD1-CZ 3.44Å; L126-F149 HydrophobicContact CD2-CE1 4.08Å; L126-F149 HydrophobicContact CD2-CZ 4.25Å; L126-F149 HydrophobicContact CG-CD1 3.97Å; L126-F149 HydrophobicContact CG-CE1 3.58Å; L126-F149 HydrophobicContact CG-CE2 4.36Å; L126-F149 HydrophobicContact CG-CZ 3.82Å | ||
| 127 | S | 98.5 | Very high | 98.6 | Very high | 52 Ų | 52 | 75.1 Ų | 75.1 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -66.8 | 171.8 | 162.2 | 70 | 0 | 0 | 0 | 0 | 110.7 | P129 E130 R131 | S127-P129 WeakPolarHBondContact OG-CD 3.45Å; S127-P129 WeakPolarHBondContact OG-CG 3.33Å; S127-E130 VanDerWaalsContact CB-OE2 3.23Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 2.81Å; S127-E130 VanDerWaalsContact OG-CG 3.31Å; S127-E130 WeakPolarHBondContact OG-CG 3.43Å; S127-E130 PolarHBondContact OG-OE2 2.62Å; S127-R131 WeakPolarHBondContact O-CB 3.44Å; S127-R131 PolarHBondContact O-N 3.14Å | ||
| 128 | T | 98.5 | Very high | 98.5 | Very high | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -52.1 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | E130 R131 V132 | T128-E130 PolarHBondContact O-N 2.86Å; T128-R131 WeakPolarHBondContact O-CB 3.39Å; T128-R131 PolarHBondContact O-N 3.25Å; T128-V132 WeakPolarHBondContact O-CG2 3.49Å; T128-V132 PolarHBondContact O-N 2.88Å |
| 129 | P | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 72 Ų | 72 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | -178.3 | 22.8 | -33.7 | 0 | 0 | 0 | 113.1 | S127 R131 V132 E133 | S127-P129 WeakPolarHBondContact OG-CD 3.45Å; S127-P129 WeakPolarHBondContact OG-CG 3.33Å; P129-R131 PolarHBondContact O-N 3.31Å; P129-V132 WeakPolarHBondContact O-CB 3.37Å; P129-V132 PolarHBondContact O-N 2.95Å; P129-V132 VanDerWaalsContact O-N 3.07Å; P129-E133 PolarHBondContact O-N 3.18Å |
| 130 | E | 98.7 | Very high | 98.5 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.5 | -30.8 | 179.1 | -62.3 | 165.8 | 126.6 | 0 | 0 | 112.4 | R119 Q123 L126 S127 T128 L134 | R119-E130 IonicContact NH2-OE1 3.33Å; R119-E130 PolarHBondContact NH2-OE1 2.89Å; Q123-E130 PolarHBondContact NE2-OE1 3.39Å; Q123-E130 PolarHBondContact NE2-OE2 3.36Å; Q123-E130 PolarHBondContact OE1-OE1 2.77Å; L126-E130 HydrophobicContact CB-CB 4.36Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; S127-E130 VanDerWaalsContact CB-OE2 3.23Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 2.81Å; S127-E130 VanDerWaalsContact OG-CG 3.31Å; S127-E130 WeakPolarHBondContact OG-CG 3.43Å; S127-E130 PolarHBondContact OG-OE2 2.62Å; T128-E130 PolarHBondContact O-N 2.86Å; E130-L134 WeakPolarHBondContact O-CB 3.23Å; E130-L134 PolarHBondContact O-N 3.5Å |
| 131 | R | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 72.1 Ų | 72.1 | 18% | 0.181 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.3 | -170 | -167.9 | -55.6 | 145.2 | 10.4 | 111.4 | S127 T128 P129 E133 A135 E142 V145 | S127-R131 WeakPolarHBondContact O-CB 3.44Å; S127-R131 PolarHBondContact O-N 3.14Å; T128-R131 WeakPolarHBondContact O-CB 3.39Å; T128-R131 PolarHBondContact O-N 3.25Å; P129-R131 PolarHBondContact O-N 3.31Å; R131-E133 VanDerWaalsContact C-N 3.35Å; R131-A135 WeakPolarHBondContact O-CB 3.4Å; R131-A135 PolarHBondContact O-N 2.96Å; R131-E142 VanDerWaalsContact CD-O 3.31Å; R131-E142 WeakPolarHBondContact CD-O 3.35Å; R131-E142 HydrophobicContact CG-CB 4.35Å; R131-V145 HydrophobicContact CG-CB 4Å; R131-V145 HydrophobicContact CG-CG1 3.82Å |
| 132 | V | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | T128 P129 A135 T136 E142 | T128-V132 WeakPolarHBondContact O-CG2 3.49Å; T128-V132 PolarHBondContact O-N 2.88Å; P129-V132 WeakPolarHBondContact O-CB 3.37Å; P129-V132 PolarHBondContact O-N 2.95Å; P129-V132 VanDerWaalsContact O-N 3.07Å; V132-A135 PolarHBondContact O-N 3.49Å; V132-T136 PolarHBondContact O-N 3.26Å; V132-T136 PolarHBondContact O-OG1 3.41Å; V132-E142 VanDerWaalsContact CG2-CD 3.47Å; V132-E142 HydrophobicContact CG2-CG 4.06Å |
| 133 | E | 98.7 | Very high | 98.5 | Very high | 128 Ų | 128 | 68.7 Ų | 68.7 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.1 | -51.8 | 177.2 | -171.7 | -170.3 | 158.7 | 0 | 0 | 111.5 | P129 R131 A135 T136 A137 | P129-E133 PolarHBondContact O-N 3.18Å; R131-E133 VanDerWaalsContact C-N 3.35Å; E133-A135 VanDerWaalsContact C-N 3.35Å; E133-A135 PolarHBondContact O-N 3.5Å; E133-T136 PolarHBondContact O-N 3.12Å; E133-A137 PolarHBondContact O-N 3.49Å |
| 134 | L | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 69.2 Ų | 69.2 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | -179.7 | -173.6 | 63.2 | 0 | 0 | 0 | 112.7 | L116 R119 L126 E130 T136 A137 L138 V145 F149 | L116-L134 HydrophobicContact CD2-CD2 4.01Å; R119-L134 HydrophobicContact CB-CD1 4.3Å; R119-L134 HydrophobicContact CB-CD2 4.13Å; R119-L134 HydrophobicContact CG-CD2 4.03Å; L126-L134 HydrophobicContact CD1-CD2 3.74Å; E130-L134 WeakPolarHBondContact O-CB 3.23Å; E130-L134 PolarHBondContact O-N 3.5Å; L134-T136 VanDerWaalsContact C-N 3.31Å; L134-A137 PolarHBondContact O-N 3.29Å; L134-L138 HydrophobicContact CD1-CD1 3.73Å; L134-L138 HydrophobicContact CD1-CG 4.08Å; L134-L138 HydrophobicContact CG-CD1 4.04Å; L134-L138 PolarHBondContact O-N 3.03Å; L134-V145 HydrophobicContact CD2-CG1 3.93Å; L134-F149 HydrophobicContact CD2-CE2 3.66Å; L134-F149 HydrophobicContact CD2-CZ 3.99Å |
| 135 | A | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R131 V132 E133 S139 L140 E142 V145 | R131-A135 WeakPolarHBondContact O-CB 3.4Å; R131-A135 PolarHBondContact O-N 2.96Å; V132-A135 PolarHBondContact O-N 3.49Å; E133-A135 VanDerWaalsContact C-N 3.35Å; E133-A135 PolarHBondContact O-N 3.5Å; A135-S139 PolarHBondContact O-N 2.8Å; A135-L140 CarbonylContact C-O 3.47Å; A135-L140 WeakPolarHBondContact CB-O 3.47Å; A135-L140 PolarHBondContact O-N 3.35Å; A135-L140 VanDerWaalsContact O-O 3.11Å; A135-E142 HydrophobicContact CB-CG 4.25Å; A135-V145 HydrophobicContact CB-CG2 3.96Å |
| 136 | T | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 63% | 0.632 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.1 | -48.7 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | V132 E133 L134 L138 S139 | V132-T136 PolarHBondContact O-N 3.26Å; V132-T136 PolarHBondContact O-OG1 3.41Å; E133-T136 PolarHBondContact O-N 3.12Å; L134-T136 VanDerWaalsContact C-N 3.31Å; T136-L138 VanDerWaalsContact C-N 3.28Å; T136-L138 PolarHBondContact O-N 3.44Å; T136-S139 PolarHBondContact O-N 3.32Å |
| 137 | A | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E133 L134 | E133-A137 PolarHBondContact O-N 3.49Å; L134-A137 PolarHBondContact O-N 3.29Å |
| 138 | L | 98.3 | Very high | 98.5 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 4.3 | -177.8 | -59.4 | -178.7 | 0 | 0 | 0 | 114 | Q112 L116 L134 T136 L140 | Q112-L138 PolarHBondContact NE2-O 3.44Å; L116-L138 HydrophobicContact CD2-CD1 3.84Å; L116-L138 HydrophobicContact CG-CD1 3.68Å; L134-L138 HydrophobicContact CD1-CD1 3.73Å; L134-L138 HydrophobicContact CD1-CG 4.08Å; L134-L138 HydrophobicContact CG-CD1 4.04Å; L134-L138 PolarHBondContact O-N 3.03Å; T136-L138 VanDerWaalsContact C-N 3.28Å; T136-L138 PolarHBondContact O-N 3.44Å; L138-L140 VanDerWaalsContact C-N 3.29Å; L138-L140 HydrophobicContact CB-CD1 4.2Å; L138-L140 HydrophobicContact CB-CG 4.21Å; L138-L140 PolarHBondContact O-N 3.18Å |
| 139 | S | 98.4 | Very high | 98.5 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 46.1 | -174.8 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | A135 T136 | A135-S139 PolarHBondContact O-N 2.8Å; T136-S139 PolarHBondContact O-N 3.32Å |
| 140 | L | 98.2 | Very high | 98.5 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | trans | -117.9 | 161.6 | 176.4 | -66 | 178.9 | 0 | 0 | 0 | 110.1 | F108 L116 A135 L138 Q144 V145 | F108-L140 HydrophobicContact CD1-CD1 4.33Å; F108-L140 HydrophobicContact CD1-CD2 3.76Å; F108-L140 HydrophobicContact CE1-CD1 4.28Å; F108-L140 HydrophobicContact CE1-CD2 3.71Å; L116-L140 HydrophobicContact CD1-CD1 4.08Å; A135-L140 CarbonylContact C-O 3.47Å; A135-L140 WeakPolarHBondContact CB-O 3.47Å; A135-L140 PolarHBondContact O-N 3.35Å; A135-L140 VanDerWaalsContact O-O 3.11Å; L138-L140 VanDerWaalsContact C-N 3.29Å; L138-L140 HydrophobicContact CB-CD1 4.2Å; L138-L140 HydrophobicContact CB-CG 4.21Å; L138-L140 PolarHBondContact O-N 3.18Å; L140-Q144 HydrophobicContact CB-CB 4.49Å; L140-V145 HydrophobicContact CB-CG2 4.12Å; L140-V145 HydrophobicContact CD1-CG2 4.44Å | ||
| 141 | S | 98.4 | Very high | 98.5 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | trans | -78 | 150.4 | 167.8 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | T143 Q144 V145 | S141-T143 PolarHBondContact O-N 3.11Å; S141-T143 VanDerWaalsContact O-N 3.13Å; S141-Q144 WeakPolarHBondContact O-CB 3.49Å; S141-Q144 PolarHBondContact O-N 3.38Å; S141-Q144 VanDerWaalsContact OG-CD 3.3Å; S141-Q144 VanDerWaalsContact OG-CG 3.25Å; S141-Q144 WeakPolarHBondContact OG-CG 3.33Å; S141-Q144 PolarHBondContact OG-N 3.43Å; S141-Q144 PolarHBondContact OG-OE1 3.43Å; S141-V145 PolarHBondContact O-N 3.13Å; S141-V145 VanDerWaalsContact O-N 3.07Å | ||
| 142 | E | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -51.9 | -38.2 | 172.3 | -72.3 | -177.7 | -109.7 | 0 | 0 | 112.2 | R131 V132 A135 Q144 V145 K146 | R131-E142 VanDerWaalsContact CD-O 3.31Å; R131-E142 WeakPolarHBondContact CD-O 3.35Å; R131-E142 HydrophobicContact CG-CB 4.35Å; V132-E142 VanDerWaalsContact CG2-CD 3.47Å; V132-E142 HydrophobicContact CG2-CG 4.06Å; A135-E142 HydrophobicContact CB-CG 4.25Å; E142-Q144 PolarHBondContact O-N 3.1Å; E142-V145 PolarHBondContact O-N 3.39Å; E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.45Å; E142-K146 PolarHBondContact O-N 3.49Å |
| 143 | T | 98.2 | Very high | 98.5 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 60% | 0.601 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | S141 K146 T147 | S141-T143 PolarHBondContact O-N 3.11Å; S141-T143 VanDerWaalsContact O-N 3.13Å; T143-K146 PolarHBondContact O-N 3.22Å; T143-T147 WeakPolarHBondContact O-CB 3.38Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3.47Å; T143-T147 VanDerWaalsContact O-OG1 3.12Å |
| 144 | Q | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.4 | -76.4 | 164.2 | -51.7 | 0 | 0 | 111.3 | F108 L140 S141 E142 T147 W148 | F108-Q144 HydrophobicContact CE1-CB 4.19Å; F108-Q144 HydrophobicContact CE1-CG 4.25Å; F108-Q144 HydrophobicContact CZ-CB 3.97Å; F108-Q144 HydrophobicContact CZ-CG 4.21Å; L140-Q144 HydrophobicContact CB-CB 4.49Å; S141-Q144 WeakPolarHBondContact O-CB 3.49Å; S141-Q144 PolarHBondContact O-N 3.38Å; S141-Q144 VanDerWaalsContact OG-CD 3.3Å; S141-Q144 VanDerWaalsContact OG-CG 3.25Å; S141-Q144 WeakPolarHBondContact OG-CG 3.33Å; S141-Q144 PolarHBondContact OG-N 3.43Å; S141-Q144 PolarHBondContact OG-OE1 3.43Å; E142-Q144 PolarHBondContact O-N 3.1Å; Q144-T147 PolarHBondContact O-N 3.36Å; Q144-W148 WeakPolarHBondContact O-CB 3.46Å; Q144-W148 PolarHBondContact O-N 3.37Å |
| 145 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | L116 L126 R131 L134 A135 L140 S141 E142 T147 W148 F149 | L116-V145 HydrophobicContact CD2-CG1 4.32Å; L116-V145 HydrophobicContact CD2-CG2 4.44Å; L126-V145 HydrophobicContact CD1-CG1 4.11Å; R131-V145 HydrophobicContact CG-CB 4Å; R131-V145 HydrophobicContact CG-CG1 3.82Å; L134-V145 HydrophobicContact CD2-CG1 3.93Å; A135-V145 HydrophobicContact CB-CG2 3.96Å; L140-V145 HydrophobicContact CB-CG2 4.12Å; L140-V145 HydrophobicContact CD1-CG2 4.44Å; S141-V145 PolarHBondContact O-N 3.13Å; S141-V145 VanDerWaalsContact O-N 3.07Å; E142-V145 PolarHBondContact O-N 3.39Å; V145-T147 PolarHBondContact O-N 3.05Å; V145-W148 PolarHBondContact O-N 3.03Å; V145-F149 HydrophobicContact CG1-CD2 3.81Å; V145-F149 HydrophobicContact CG1-CE2 3.96Å; V145-F149 WeakPolarHBondContact O-CD2 3.42Å; V145-F149 PolarHBondContact O-N 3.05Å |
| 146 | K | 98.4 | Very high | 98.4 | Very high | 125 Ų | 125 | 66.7 Ų | 66.7 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.3 | -49.6 | 176.7 | 179.8 | -178.5 | 174.6 | 179.7 | 0 | 111.8 | E142 T143 F149 Q150 | E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.45Å; E142-K146 PolarHBondContact O-N 3.49Å; T143-K146 PolarHBondContact O-N 3.22Å; K146-F149 PolarHBondContact O-N 3.28Å; K146-Q150 WeakPolarHBondContact O-CB 3.29Å; K146-Q150 PolarHBondContact O-N 3.11Å |
| 147 | T | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 179.5 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | T143 Q144 V145 Q150 N151 | T143-T147 WeakPolarHBondContact O-CB 3.38Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3.47Å; T143-T147 VanDerWaalsContact O-OG1 3.12Å; Q144-T147 PolarHBondContact O-N 3.36Å; V145-T147 PolarHBondContact O-N 3.05Å; T147-Q150 PolarHBondContact O-N 3.24Å; T147-N151 WeakPolarHBondContact O-CB 3.24Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 3.31Å |
| 148 | W | 98.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 177.2 | -170.5 | 99.6 | 0 | 0 | 0 | 111.4 | F108 L116 E117 F120 Q144 V145 Q150 N151 R152 | F108-W148 AromaticContact CD2-CD1 3.79Å; F108-W148 HydrophobicContact CE2-CB 4.38Å; F108-W148 AromaticContact CE2-CD1 3.67Å; F108-W148 HydrophobicContact CE2-CG 4.38Å; L116-W148 HydrophobicContact CB-CD2 3.93Å; L116-W148 HydrophobicContact CB-CE3 3.85Å; L116-W148 HydrophobicContact CB-CH2 3.65Å; L116-W148 HydrophobicContact CB-CZ2 3.7Å; L116-W148 HydrophobicContact CB-CZ3 3.72Å; L116-W148 HydrophobicContact CD1-CB 4.43Å; L116-W148 HydrophobicContact CD1-CD2 3.78Å; L116-W148 HydrophobicContact CD1-CE3 4.39Å; L116-W148 HydrophobicContact CD1-CG 3.76Å; L116-W148 HydrophobicContact CD2-CD2 4.38Å; L116-W148 HydrophobicContact CD2-CE3 4.23Å; L116-W148 HydrophobicContact CG-CD2 4.24Å; L116-W148 HydrophobicContact CG-CE3 4.38Å; E117-W148 HydrophobicContact CB-CH2 4.43Å; E117-W148 WeakPolarHBondContact OE2-CH2 3.41Å; F120-W148 HydrophobicContact CB-CH2 4.4Å; F120-W148 HydrophobicContact CB-CZ3 4.12Å; F120-W148 HydrophobicContact CD2-CZ3 4.5Å; F120-W148 HydrophobicContact CG-CZ3 4.45Å; Q144-W148 WeakPolarHBondContact O-CB 3.46Å; Q144-W148 PolarHBondContact O-N 3.37Å; V145-W148 PolarHBondContact O-N 3.03Å; W148-Q150 VanDerWaalsContact C-N 3.32Å; W148-Q150 PolarHBondContact O-N 2.89Å; W148-N151 PolarHBondContact O-N 2.83Å; W148-N151 VanDerWaalsContact O-N 3.16Å; W148-R152 HydrophobicContact CD2-CB 4.46Å; W148-R152 HydrophobicContact CE3-CB 3.93Å; W148-R152 HydrophobicContact CE3-CG 4.46Å; W148-R152 HydrophobicContact CH2-CB 4.02Å; W148-R152 HydrophobicContact CH2-CG 3.71Å; W148-R152 HydrophobicContact CZ2-CG 4.47Å; W148-R152 HydrophobicContact CZ3-CB 3.69Å; W148-R152 HydrophobicContact CZ3-CG 3.71Å; W148-R152 WeakPolarHBondContact O-CB 3.5Å; W148-R152 PolarHBondContact O-N 3.42Å |
| 149 | F | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 74.5 Ų | 74.5 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.3 | -92.3 | -103.9 | 0 | 0 | 0 | 112.5 | L116 R119 F120 Q123 L126 L134 V145 K146 R153 | L116-F149 HydrophobicContact CD2-CE2 3.99Å; R119-F149 HydrophobicContact CB-CZ 4.41Å; R119-F149 HydrophobicContact CG-CZ 4.29Å; F120-F149 HydrophobicContact CB-CE1 4.24Å; F120-F149 HydrophobicContact CB-CZ 4.34Å; F120-F149 AromaticContact CD2-CD1 3.87Å; F120-F149 HydrophobicContact CD2-CD1 3.87Å; F120-F149 AromaticContact CD2-CE1 3.82Å; F120-F149 HydrophobicContact CD2-CE1 3.82Å; Q123-F149 WeakPolarHBondContact O-CE1 3.4Å; L126-F149 HydrophobicContact CD1-CD1 4.19Å; L126-F149 HydrophobicContact CD1-CD2 4.04Å; L126-F149 HydrophobicContact CD1-CE1 3.74Å; L126-F149 HydrophobicContact CD1-CE2 3.6Å; L126-F149 HydrophobicContact CD1-CG 4.33Å; L126-F149 HydrophobicContact CD1-CZ 3.44Å; L126-F149 VanDerWaalsContact CD1-CZ 3.44Å; L126-F149 HydrophobicContact CD2-CE1 4.08Å; L126-F149 HydrophobicContact CD2-CZ 4.25Å; L126-F149 HydrophobicContact CG-CD1 3.97Å; L126-F149 HydrophobicContact CG-CE1 3.58Å; L126-F149 HydrophobicContact CG-CE2 4.36Å; L126-F149 HydrophobicContact CG-CZ 3.82Å; L134-F149 HydrophobicContact CD2-CE2 3.66Å; L134-F149 HydrophobicContact CD2-CZ 3.99Å; V145-F149 HydrophobicContact CG1-CD2 3.81Å; V145-F149 HydrophobicContact CG1-CE2 3.96Å; V145-F149 WeakPolarHBondContact O-CD2 3.42Å; V145-F149 PolarHBondContact O-N 3.05Å; K146-F149 PolarHBondContact O-N 3.28Å; F149-R153 WeakPolarHBondContact O-CG 3.31Å; F149-R153 PolarHBondContact O-N 2.66Å; F149-R153 PolarHBondContact O-NE 2.52Å |
| 150 | Q | 98.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 74 Ų | 74 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 173.2 | -175.6 | 61.4 | 54 | 0 | 0 | 111.1 | K146 T147 W148 R152 R153 M154 | K146-Q150 WeakPolarHBondContact O-CB 3.29Å; K146-Q150 PolarHBondContact O-N 3.11Å; T147-Q150 PolarHBondContact O-N 3.24Å; W148-Q150 VanDerWaalsContact C-N 3.32Å; W148-Q150 PolarHBondContact O-N 2.89Å; Q150-R152 VanDerWaalsContact C-N 3.32Å; Q150-R152 PolarHBondContact O-N 3.34Å; Q150-R153 PolarHBondContact O-N 2.9Å; Q150-M154 WeakPolarHBondContact O-CG 3.23Å; Q150-M154 PolarHBondContact O-N 3.04Å; Q150-M154 VanDerWaalsContact O-N 3.12Å |
| 151 | N | 98.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 80 Ų | 80 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.7 | -69.3 | -18.6 | 0 | 0 | 0 | 111.7 | T147 W148 M154 K155 | T147-N151 WeakPolarHBondContact O-CB 3.24Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 3.31Å; W148-N151 PolarHBondContact O-N 2.83Å; W148-N151 VanDerWaalsContact O-N 3.16Å; N151-M154 PolarHBondContact O-N 3.32Å; N151-K155 PolarHBondContact O-N 3.23Å |
| 152 | R | 98.6 | Very high | 97.2 | Very high | 37 Ų | 37 | 84 Ų | 84 | 14% | 0.14 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 179.7 | -175.7 | 64.8 | -169.8 | 99.9 | -3.8 | 112 | E117 F120 W148 Q150 M154 K155 H156 | E117-R152 VanDerWaalsContact CD-NE 3.3Å; E117-R152 IonicContact OE1-CZ 3.19Å; E117-R152 IonicContact OE1-NE 2.83Å; E117-R152 PolarHBondContact OE1-NE 2.89Å; E117-R152 IonicContact OE1-NH2 2.7Å; E117-R152 PolarHBondContact OE1-NH2 3.11Å; E117-R152 WeakPolarHBondContact OE2-CD 3.47Å; E117-R152 IonicContact OE2-CZ 3.82Å; E117-R152 IonicContact OE2-NE 2.89Å; E117-R152 PolarHBondContact OE2-NE 3.42Å; E117-R152 IonicContact OE2-NH2 3.95Å; F120-R152 HydrophobicContact CD1-CG 3.66Å; F120-R152 HydrophobicContact CD2-CB 4.27Å; F120-R152 HydrophobicContact CD2-CG 3.67Å; F120-R152 HydrophobicContact CE1-CG 3.65Å; F120-R152 HydrophobicContact CE2-CB 4.14Å; F120-R152 HydrophobicContact CE2-CG 3.67Å; F120-R152 HydrophobicContact CG-CG 3.68Å; F120-R152 HydrophobicContact CZ-CB 4.44Å; F120-R152 HydrophobicContact CZ-CG 3.65Å; W148-R152 HydrophobicContact CD2-CB 4.46Å; W148-R152 HydrophobicContact CE3-CB 3.93Å; W148-R152 HydrophobicContact CE3-CG 4.46Å; W148-R152 HydrophobicContact CH2-CB 4.02Å; W148-R152 HydrophobicContact CH2-CG 3.71Å; W148-R152 HydrophobicContact CZ2-CG 4.47Å; W148-R152 HydrophobicContact CZ3-CB 3.69Å; W148-R152 HydrophobicContact CZ3-CG 3.71Å; W148-R152 WeakPolarHBondContact O-CB 3.5Å; W148-R152 PolarHBondContact O-N 3.42Å; Q150-R152 VanDerWaalsContact C-N 3.32Å; Q150-R152 PolarHBondContact O-N 3.34Å; R152-M154 PolarHBondContact O-N 3.24Å; R152-K155 PolarHBondContact O-N 3.1Å; R152-H156 WeakPolarHBondContact O-CB 3.44Å; R152-H156 PolarHBondContact O-N 3.29Å |
| 153 | R | 98.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 82.9 Ų | 82.9 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.5 | -75.7 | -174.9 | -76 | 139.8 | -0.4 | 112.3 | F120 R124 Y125 F149 Q150 K155 H156 K157 | F120-R153 HydrophobicContact CE2-CG 3.71Å; F120-R153 HydrophobicContact CZ-CG 4.1Å; R124-R153 VanDerWaalsContact O-CD 3.29Å; R124-R153 WeakPolarHBondContact O-CD 2.96Å; Y125-R153 VanDerWaalsContact CE1-CD 3.47Å; Y125-R153 VanDerWaalsContact CZ-CD 3.44Å; F149-R153 WeakPolarHBondContact O-CG 3.31Å; F149-R153 PolarHBondContact O-N 2.66Å; F149-R153 PolarHBondContact O-NE 2.52Å; Q150-R153 PolarHBondContact O-N 2.9Å; R153-K155 PolarHBondContact O-N 3.29Å; R153-H156 PolarHBondContact O-N 3.28Å; R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 2.92Å |
| 154 | M | 98.6 | Very high | 95.7 | Very high | 94 Ų | 94 | 83.7 Ų | 83.7 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.6 | -66.1 | -58.3 | -72.6 | 0 | 0 | 111.7 | Q150 N151 R152 K157 K158 | Q150-M154 WeakPolarHBondContact O-CG 3.23Å; Q150-M154 PolarHBondContact O-N 3.04Å; Q150-M154 VanDerWaalsContact O-N 3.12Å; N151-M154 PolarHBondContact O-N 3.32Å; R152-M154 PolarHBondContact O-N 3.24Å; M154-K157 PolarHBondContact O-N 3.35Å; M154-K158 PolarHBondContact O-N 2.78Å |
| 155 | K | 98.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 86.5 Ų | 86.5 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 174.2 | -175.2 | -178.2 | 178.7 | -173.6 | 0 | 111.4 | N151 R152 R153 K157 K158 Q159 | N151-K155 PolarHBondContact O-N 3.23Å; R152-K155 PolarHBondContact O-N 3.1Å; R153-K155 PolarHBondContact O-N 3.29Å; K155-K157 PolarHBondContact O-N 3.31Å; K155-K158 WeakPolarHBondContact O-CB 3.43Å; K155-K158 PolarHBondContact O-N 3.31Å; K155-Q159 WeakPolarHBondContact O-CG 3.39Å; K155-Q159 PolarHBondContact O-N 3.08Å |
| 156 | H | 97.7 | Very high | 93 | Very high | 40 Ų | 40 | 91.5 Ų | 91.5 | 19% | 0.185 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 178.8 | -177.6 | -147.3 | 0 | 0 | 0 | 111.5 | F120 R124 R152 R153 K158 Q159 L160 | F120-H156 HydrophobicContact CE1-CB 4.43Å; F120-H156 HydrophobicContact CZ-CB 4.31Å; R124-H156 PolarHBondContact NE-CE1 3.18Å; R124-H156 PolarHBondContact NE-ND1 3.49Å; R152-H156 WeakPolarHBondContact O-CB 3.44Å; R152-H156 PolarHBondContact O-N 3.29Å; R153-H156 PolarHBondContact O-N 3.28Å; H156-K158 VanDerWaalsContact C-N 3.29Å; H156-K158 PolarHBondContact O-N 3.07Å; H156-Q159 WeakPolarHBondContact O-CB 3.5Å; H156-Q159 PolarHBondContact O-N 3.17Å; H156-Q159 VanDerWaalsContact O-N 3.13Å; H156-L160 WeakPolarHBondContact O-CG 3.33Å; H156-L160 PolarHBondContact O-N 3.29Å |
| 157 | K | 97.4 | Very high | 91.3 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 174.5 | -175.3 | 177.5 | 68.6 | 174.6 | 0 | 112 | R153 M154 K155 L160 R161 | R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 2.92Å; M154-K157 PolarHBondContact O-N 3.35Å; K155-K157 PolarHBondContact O-N 3.31Å; K157-L160 PolarHBondContact O-N 3.37Å; K157-R161 WeakPolarHBondContact O-CG 3.45Å; K157-R161 PolarHBondContact O-N 3.22Å |
| 158 | K | 96.6 | Very high | 89.3 | Confident | 164 Ų | 164 | 100.9 Ų | 100.9 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 177.6 | -172.6 | 176.7 | -179.8 | 178.7 | 0 | 112 | M154 K155 H156 R161 K162 | M154-K158 PolarHBondContact O-N 2.78Å; K155-K158 WeakPolarHBondContact O-CB 3.43Å; K155-K158 PolarHBondContact O-N 3.31Å; H156-K158 VanDerWaalsContact C-N 3.29Å; H156-K158 PolarHBondContact O-N 3.07Å; K158-R161 PolarHBondContact O-N 3.48Å; K158-K162 PolarHBondContact O-N 3.45Å; K158-K162 VanDerWaalsContact O-N 3.11Å |
| 159 | Q | 95.2 | Very high | 86.8 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 176.6 | -71.8 | 168.2 | -27.2 | 0 | 0 | 111.6 | K155 H156 R161 K162 A163 | K155-Q159 WeakPolarHBondContact O-CG 3.39Å; K155-Q159 PolarHBondContact O-N 3.08Å; H156-Q159 WeakPolarHBondContact O-CB 3.5Å; H156-Q159 PolarHBondContact O-N 3.17Å; H156-Q159 VanDerWaalsContact O-N 3.13Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; Q159-R161 PolarHBondContact O-N 3.44Å; Q159-K162 PolarHBondContact O-N 2.87Å; Q159-A163 PolarHBondContact O-N 3.29Å; Q159-A163 VanDerWaalsContact O-N 3.1Å |
| 160 | L | 93.4 | Very high | 84.5 | Confident | 95 Ų | 95 | 110 Ų | 110 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 177.9 | -65.9 | 175.1 | 0 | 0 | 0 | 113 | H156 K157 | H156-L160 WeakPolarHBondContact O-CG 3.33Å; H156-L160 PolarHBondContact O-N 3.29Å; K157-L160 PolarHBondContact O-N 3.37Å |
| 161 | R | 92.4 | Very high | 82.1 | Confident | 150 Ų | 150 | 110.7 Ų | 110.7 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70 | -42.9 | 176.8 | -66.3 | -64.8 | 173.1 | -140.4 | -1.1 | 112.3 | K157 K158 Q159 A163 Q164 D165 | K157-R161 WeakPolarHBondContact O-CG 3.45Å; K157-R161 PolarHBondContact O-N 3.22Å; K158-R161 PolarHBondContact O-N 3.48Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; Q159-R161 PolarHBondContact O-N 3.44Å; R161-A163 VanDerWaalsContact C-N 3.28Å; R161-A163 PolarHBondContact O-N 3.11Å; R161-Q164 WeakPolarHBondContact O-CB 2.82Å; R161-Q164 PolarHBondContact O-N 3.1Å; R161-Q164 VanDerWaalsContact O-N 3.08Å; R161-D165 PolarHBondContact O-N 3.09Å |
| 162 | K | 90.3 | Very high | 79.8 | Confident | 136 Ų | 136 | 113.8 Ų | 113.8 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.8 | -38 | 177.7 | -176.6 | 162.5 | 177.6 | 168.7 | 0 | 112.3 | K158 Q159 Q164 D165 D166 | K158-K162 PolarHBondContact O-N 3.45Å; K158-K162 VanDerWaalsContact O-N 3.11Å; Q159-K162 PolarHBondContact O-N 2.87Å; K162-Q164 PolarHBondContact O-N 3.35Å; K162-D165 PolarHBondContact O-N 3.09Å; K162-D166 PolarHBondContact O-N 2.67Å |
| 163 | A | 85.5 | Confident | 77.5 | Confident | 58 Ų | 58 | 120.9 Ų | 120.9 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -24.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q159 R161 R167 | Q159-A163 PolarHBondContact O-N 3.29Å; Q159-A163 VanDerWaalsContact O-N 3.1Å; R161-A163 VanDerWaalsContact C-N 3.28Å; R161-A163 PolarHBondContact O-N 3.11Å; A163-R167 WeakPolarHBondContact O-CG 3.46Å |
| 164 | Q | 79.7 | Confident | 75.2 | Confident | 115 Ų | 115 | 126.7 Ų | 126.7 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.7 | -36.6 | 175.5 | -71.1 | -175.2 | -26.9 | 0 | 0 | 112.1 | R161 K162 R167 | R161-Q164 WeakPolarHBondContact O-CB 2.82Å; R161-Q164 PolarHBondContact O-N 3.1Å; R161-Q164 VanDerWaalsContact O-N 3.08Å; K162-Q164 PolarHBondContact O-N 3.35Å; Q164-R167 PolarHBondContact O-N 2.9Å |
| 165 | D | 73.9 | Confident | 72.8 | Confident | 116 Ų | 116 | 133.2 Ų | 133.2 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.2 | -38.1 | 178.7 | -67.7 | -23.5 | 0 | 0 | 0 | 111.6 | R161 K162 R167 K168 | R161-D165 PolarHBondContact O-N 3.09Å; K162-D165 PolarHBondContact O-N 3.09Å; D165-R167 PolarHBondContact O-N 3.26Å; D165-K168 PolarHBondContact O-N 2.76Å; D165-K168 VanDerWaalsContact O-N 3.1Å |
| 166 | D | 66.4 | Low | 70 | Confident | 105 Ų | 105 | 133.4 Ų | 133.4 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -14.5 | 178 | -67.1 | -26.6 | 0 | 0 | 0 | 113.1 | K162 | K162-D166 PolarHBondContact O-N 2.67Š|
| 167 | R | 61.8 | Low | 67.6 | Low | 224 Ų | 224 | 136 Ų | 136 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -6.2 | 173.7 | -70.4 | -75.5 | 167 | 161.4 | -3.7 | 113.1 | A163 Q164 D165 | A163-R167 WeakPolarHBondContact O-CG 3.46Å; Q164-R167 PolarHBondContact O-N 2.9Å; D165-R167 PolarHBondContact O-N 3.26Å |
| 168 | K | 56.8 | Low | 64.8 | Low | 170 Ų | 170 | 139 Ų | 139 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -113.3 | 41.5 | -173.1 | -136.9 | 171.5 | -172.2 | -178.7 | 0 | 112.9 | D165 | D165-K168 PolarHBondContact O-N 2.76Å; D165-K168 VanDerWaalsContact O-N 3.1Å | ||
| 169 | T | 46.7 | Very low | 62.2 | Low | 102 Ų | 102 | 139.1 Ų | 139.1 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -100.2 | 155.4 | 169 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | A171 | T169-A171 PolarHBondContact O-N 3.24Š|
| 170 | P | 49.1 | Very low | 59.8 | Low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | S | Bend | -90.1 | 67.9 | -117.3 | 37.7 | -40.3 | 0 | 0 | 0 | 114.7 | |||
| 171 | A | 49.8 | Very low | 57.5 | Low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -104.9 | -1.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T169 | T169-A171 PolarHBondContact O-N 3.24Š|
| 172 | E | 50.1 | Low | 55 | Low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -121 | 31.1 | -172.7 | -61.1 | -175.2 | 152.7 | 0 | 0 | 113.5 | ||||
| 173 | M | 49.8 | Very low | 52.7 | Low | 186 Ų | 186 | 140.4 Ų | 140.4 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93.3 | 4.8 | 170.4 | -169.7 | 155.5 | 175.8 | 0 | 0 | 113.5 | ||
| 174 | E | 50.8 | Low | 50.6 | Low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -127.1 | 39.2 | -176.1 | -94 | -77 | 165.1 | 0 | 0 | 112.6 | ||
| 175 | R | 47.9 | Very low | 48.6 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -160.1 | 38.4 | 167.8 | -147.1 | 163.9 | 165.6 | -115.2 | -3.2 | 116.8 | ||
| 176 | C | 38.6 | Very low | 47.2 | Very low | 132 Ų | 132 | 145 Ų | 145 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -137.9 | 22.8 | 171.8 | -78.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 177 | A | 47.7 | Very low | 45.6 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -106.8 | 1.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 178 | E | 39.2 | Very low | 44.6 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -135.8 | 82.2 | 175.9 | -73 | -179.3 | 141.2 | 0 | 0 | 109.1 | ||
| 179 | N | 40.1 | Very low | 43.6 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -171.4 | 12.6 | 148.2 | -115.6 | 70.6 | 0 | 0 | 0 | 113.5 | ||
| 180 | S | 45.3 | Very low | 42.8 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -101.9 | 62 | 172.5 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 181 | S | 45 | Very low | 42.2 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -167.8 | 140.9 | 160.7 | -135.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | A | 39.7 | Very low | 41.5 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 77.5 | 121.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 183 | E | 42.3 | Very low | 40.8 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | cis | -161.8 | 159.2 | 2 | -85.9 | -68.2 | 99.4 | 0 | 0 | 106.5 | ||||
| 184 | S | 42.7 | Very low | 40.5 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 160 | 171.1 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 185 | D | 36.8 | Very low | 39.8 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 100.7 | 128.3 | 137.9 | -101.6 | -41.3 | 0 | 0 | 0 | 122.6 | ||||
| 186 | L | 44.5 | Very low | 39.3 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | 61.6 | 120.8 | 153.4 | -49 | 179.8 | 0 | 0 | 0 | 121.7 | ||||
| 187 | N | 33.1 | Very low | 39 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | -175.2 | 132 | 104.9 | -170.8 | 51.4 | 0 | 0 | 0 | 112.2 | |||||
| 188 | E | 41 | Very low | 38.8 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 150.8 | 177.2 | -160.5 | -174.3 | 139.9 | 0 | 0 | 111 | ||||
| 189 | K | 35.4 | Very low | 38.7 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 90.8 | 111.8 | 144.9 | -147.1 | 159 | -175.1 | 165.1 | 0 | 120.8 | ||||
| 190 | S | 30.6 | Very low | 38.9 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | 170.9 | 119.8 | 121.3 | -98.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 191 | A | 36 | Very low | 38.6 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | 71.2 | 97.6 | 106.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 192 | E | 34.1 | Very low | 38.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | 103.8 | 126.9 | 87.3 | -104.5 | 168.6 | 163.4 | 0 | 0 | 111.4 | |||||
| 193 | E | 36.6 | Very low | 38.7 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 57 | 108.9 | 156.1 | -61.1 | -168.2 | 127.7 | 0 | 0 | 121.4 | ||||
| 194 | M | 42.4 | Very low | 38.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | -161.9 | 98.2 | 120.8 | -157.4 | 89.2 | -106.1 | 0 | 0 | 111.5 | |||||
| 195 | R | 37.6 | Very low | 39.1 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 23.3 | 135 | 137.8 | -68 | 177.4 | 162.9 | -105.6 | -1.7 | 121.4 | ||||
| 196 | H | 36.3 | Very low | 39.8 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | 77.7 | 117.7 | 142.2 | -97.1 | -88.7 | 0 | 0 | 0 | 119.9 | ||||
| 197 | G | 33.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 165 | 68.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D199 | G197-D199 PolarHBondContact O-N 3.29Š| ||
| 198 | L | 42 | Very low | 40.6 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -74.9 | 110.7 | 163.8 | -66.9 | 168.5 | 0 | 0 | 0 | 107.2 | A200 | L198-A200 PolarHBondContact O-N 2.65Š| ||
| 199 | D | 38 | Very low | 41.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -92.7 | 87.8 | 157.9 | -106.8 | -42.9 | 0 | 0 | 0 | 107.4 | G197 | G197-D199 PolarHBondContact O-N 3.29Š| ||
| 200 | A | 44 | Very low | 42.1 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | -80.4 | 156.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | L198 | L198-A200 PolarHBondContact O-N 2.65Š| ||
| 201 | D | 38.9 | Very low | 43.3 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 81.8 | 138.4 | 165.5 | -69.2 | -11 | 0 | 0 | 0 | 117.5 | ||||
| 202 | S | 43.3 | Very low | 44.3 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | -165.3 | 142.4 | 0.4 | 162.6 | 0 | 0 | 0 | 0 | 109.2 | I204 | S202-I204 PolarHBondContact O-N 3.29Š| ||
| 203 | Y | 43.2 | Very low | 45.2 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -66.1 | 101.5 | 163.5 | 179.9 | -109.9 | 0 | 0 | 0 | 108.7 | L205 | Y203-L205 HydrophobicContact CD1-CD1 4.18Å; Y203-L205 HydrophobicContact CD1-CG 3.97Å; Y203-L205 HydrophobicContact CE1-CB 4.38Å; Y203-L205 HydrophobicContact CE1-CD1 3.26Å; Y203-L205 HydrophobicContact CE1-CD2 4.24Å; Y203-L205 HydrophobicContact CE1-CG 3.31Å; Y203-L205 PolarHBondContact O-N 3.09Å | ||
| 204 | I | 45.1 | Very low | 46.1 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -85 | 97.3 | 165.5 | -66.3 | -165.1 | 0 | 0 | 0 | 107.9 | S202 | S202-I204 PolarHBondContact O-N 3.29Š| ||
| 205 | L | 49 | Very low | 46.7 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 58% | 0.581 | 76% | 0.757 | S | S | * | * | trans | -75.9 | 126.1 | 147.1 | -80.1 | 173.4 | 0 | 0 | 0 | 106.8 | Y203 E207 | Y203-L205 HydrophobicContact CD1-CD1 4.18Å; Y203-L205 HydrophobicContact CD1-CG 3.97Å; Y203-L205 HydrophobicContact CE1-CB 4.38Å; Y203-L205 HydrophobicContact CE1-CD1 3.26Å; Y203-L205 HydrophobicContact CE1-CD2 4.24Å; Y203-L205 HydrophobicContact CE1-CG 3.31Å; Y203-L205 PolarHBondContact O-N 3.09Å; L205-E207 PolarHBondContact O-N 3.41Å; L205-E207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | E | 51.5 | Low | 47.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 103.1 | 160.5 | -68.2 | -164.9 | 158.5 | 0 | 0 | 107.8 | ||||
| 207 | E | 51.1 | Low | 48.3 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -73.6 | 113.1 | 159.7 | -84.4 | 174.2 | 149.5 | 0 | 0 | 107.9 | L205 D209 | L205-E207 PolarHBondContact O-N 3.41Å; L205-E207 VanDerWaalsContact O-N 3.14Å; E207-D209 PolarHBondContact O-N 3.44Å | ||
| 208 | N | 42.5 | Very low | 49 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -78.6 | 93.3 | 157 | -100 | 38.6 | 0 | 0 | 0 | 107.1 | D210 | N208-D210 PolarHBondContact O-N 2.72Š| ||
| 209 | D | 51.3 | Low | 49.2 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -87.3 | 89.7 | 162.8 | -74.5 | -59.6 | 0 | 0 | 0 | 109 | E207 | E207-D209 PolarHBondContact O-N 3.44Š| ||
| 210 | D | 55.9 | Low | 49.6 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -102.6 | 98.3 | 157.6 | -81.3 | -59.2 | 0 | 0 | 0 | 107.9 | N208 V212 | N208-D210 PolarHBondContact O-N 2.72Å; D210-V212 PolarHBondContact O-N 3.5Å | ||
| 211 | E | 56.8 | Low | 49.9 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -58.7 | 111.2 | 169.7 | -168.8 | 158.3 | 168.1 | 0 | 0 | 110 | ||||
| 212 | V | 56.8 | Low | 50.6 | Low | 125 Ų | 125 | 141.6 Ų | 141.6 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | trans | -112.5 | 95.1 | 164.9 | -71.4 | 0 | 0 | 0 | 0 | 108.9 | D210 I214 | D210-V212 PolarHBondContact O-N 3.5Å; V212-I214 PolarHBondContact O-N 2.78Å | ||
| 213 | D | 53 | Low | 50.8 | Low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -57.3 | 112.4 | 162.9 | -124.9 | -16.6 | 0 | 0 | 0 | 108.6 | ||||
| 214 | I | 56.7 | Low | 51.3 | Low | 152 Ų | 152 | 144.6 Ų | 144.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -126 | 93.6 | 161.5 | -59.7 | 177 | 0 | 0 | 0 | 106.1 | V212 | V212-I214 PolarHBondContact O-N 2.78Š| ||
| 215 | E | 54.3 | Low | 51.4 | Low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -51.5 | 138 | 173.7 | -57.7 | -173.3 | 129.7 | 0 | 0 | 111.3 | D217 | E215-D217 PolarHBondContact O-N 2.86Š| ||
| 216 | D | 56.7 | Low | 51.6 | Low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -49.8 | 126.7 | 161.7 | -93.9 | -74.6 | 0 | 0 | 0 | 111.1 | ||||
| 217 | D | 51 | Low | 51.6 | Low | 140 Ų | 140 | 149.7 Ų | 149.7 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -155.4 | 108.8 | 141.6 | -114.9 | -18.8 | 0 | 0 | 0 | 112.6 | E215 | E215-D217 PolarHBondContact O-N 2.86Š| ||
| 218 | I | 47.1 | Very low | 51.6 | Low | 139 Ų | 139 | 149.2 Ų | 149.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | 63.4 | 106 | 127.9 | -67.4 | 174.7 | 0 | 0 | 0 | 118.3 | |||||
| 219 | C | 46.1 | Very low | 52.1 | Low | 110 Ų | 110 | 149.8 Ų | 149.8 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 155.8 | 140.1 | 90 | -148.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 220 | S | 47.5 | Very low | 52.2 | Low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 71.6 | 95.3 | 152.6 | -65.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 221 | T | 49.8 | Very low | 51.9 | Low | 143 Ų | 143 | 151.6 Ų | 151.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 110.8 | 141.9 | -56.8 | 0 | 0 | 0 | 0 | 108.3 | H223 | T221-H223 PolarHBondContact O-N 3.29Š| ||
| 222 | D | 54.1 | Low | 51.6 | Low | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 118.2 | 167.4 | -94 | -51.4 | 0 | 0 | 0 | 111.2 | L224 | D222-L224 PolarHBondContact O-N 2.99Š| ||
| 223 | H | 47.5 | Very low | 51.2 | Low | 194 Ų | 194 | 151.2 Ų | 151.2 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -86.6 | 90.3 | 156 | -113 | -55.9 | 0 | 0 | 0 | 107.6 | T221 | T221-H223 PolarHBondContact O-N 3.29Š| ||
| 224 | L | 53.7 | Low | 51 | Low | 146 Ų | 146 | 153 Ų | 153 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | trans | -80.7 | 134.6 | 163.4 | -98.9 | 160.6 | 0 | 0 | 0 | 109.6 | D222 | D222-L224 PolarHBondContact O-N 2.99Š| ||
| 225 | L | 48.2 | Very low | 50.5 | Low | 243 Ų | 243 | 153.1 Ų | 153.1 | 100% | 1.272 | 83% | 0.829 | S | S | * | * | trans | -48.3 | 0 | 167.9 | -99.4 | 85.3 | 0 | 0 | 0 | 112.9 |
Retrieved 225 of 225 residues in 378.8 ms
(Link to these results)