| 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 | 38.6 | Very low | 46.1 | Very low | 250 Ų | 250 | 144.1 Ų | 144.1 | 100% | 1.232 | 74% | 0.743 | S | S | * | * | 0 | 98.2 | 0 | -84.8 | 166.5 | 168.4 | 0 | 0 | 106.7 | |||||
| 2 | T | 45.3 | Very low | 46.6 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 93% | 0.933 | 74% | 0.737 | S | S | * | * | trans | -92.7 | 114.6 | 176.8 | 38.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | G | 43.4 | Very low | 46.8 | Very low | 59 Ų | 59 | 143.5 Ų | 143.5 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -172.6 | -5.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 4 | E | 41.9 | Very low | 47 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -114.1 | 0.6 | -173.6 | -82 | -179.4 | 103.5 | 0 | 0 | 115.3 | ||
| 5 | L | 46 | Very low | 47.3 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -96.8 | 3.9 | -176.8 | -126 | 122.4 | 0 | 0 | 0 | 114.4 | ||
| 6 | R | 46.8 | Very low | 47.5 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -102.7 | -15.6 | -175.1 | -67.6 | 179.3 | 82.1 | 164.6 | 4.2 | 114.1 | T10 | R6-T10 PolarHBondContact O-OG1 3.32Š|
| 7 | D | 47 | Very low | 47.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -84.7 | -31 | -172.7 | -66.2 | -23.5 | 0 | 0 | 0 | 112.5 | T10 E11 | D7-T10 PolarHBondContact O-N 2.94Å; D7-E11 PolarHBondContact O-N 3.04Å |
| 8 | D | 47.6 | Very low | 47.2 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.8 | -42.6 | -179.6 | -155.3 | 74 | 0 | 0 | 0 | 112.3 | T10 E11 E12 | D8-T10 PolarHBondContact O-N 2.69Å; D8-E11 PolarHBondContact O-N 3.5Å; D8-E12 PolarHBondContact O-N 3.5Å |
| 9 | E | 49.8 | Very low | 47.3 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.5 | -30.8 | 173.4 | -70.6 | -173.9 | 165.1 | 0 | 0 | 112.1 | E13 | E9-E13 WeakPolarHBondContact O-CB 3.34Å; E9-E13 PolarHBondContact O-N 3.39Å |
| 10 | T | 48.5 | Very low | 47.4 | Very low | 56 Ų | 56 | 138.8 Ų | 138.8 | 34% | 0.344 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -72.5 | -38.5 | 179.7 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | R6 D7 D8 E13 Y14 | R6-T10 PolarHBondContact O-OG1 3.32Å; D7-T10 PolarHBondContact O-N 2.94Å; D8-T10 PolarHBondContact O-N 2.69Å; T10-E13 PolarHBondContact O-N 3.13Å; T10-Y14 HydrophobicContact CG2-CD2 3.7Å; T10-Y14 HydrophobicContact CG2-CE2 3.36Å; T10-Y14 WeakPolarHBondContact O-CB 3.47Å; T10-Y14 WeakPolarHBondContact O-CD2 3.47Å; T10-Y14 PolarHBondContact O-N 3.18Å |
| 11 | E | 51.8 | Low | 47.2 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 177.1 | -70.1 | -161.1 | 158.5 | 0 | 0 | 113 | D7 D8 Y14 L15 | D7-E11 PolarHBondContact O-N 3.04Å; D8-E11 PolarHBondContact O-N 3.5Å; E11-Y14 PolarHBondContact O-N 3.1Å; E11-L15 WeakPolarHBondContact O-CB 3.47Å; E11-L15 PolarHBondContact O-N 2.93Å |
| 12 | E | 52 | Low | 47.6 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 172.7 | -75.2 | -160.5 | 147.1 | 0 | 0 | 112.3 | D8 L15 H16 | D8-E12 PolarHBondContact O-N 3.5Å; E12-L15 PolarHBondContact O-N 3.45Å; E12-H16 WeakPolarHBondContact O-CB 3.1Å; E12-H16 PolarHBondContact O-N 2.83Å |
| 13 | E | 49.7 | Very low | 47.8 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.5 | -34.8 | 176.5 | -168.8 | 174.3 | -173 | 0 | 0 | 112.1 | E9 T10 S17 | E9-E13 WeakPolarHBondContact O-CB 3.34Å; E9-E13 PolarHBondContact O-N 3.39Å; T10-E13 PolarHBondContact O-N 3.13Å; E13-S17 WeakPolarHBondContact O-CB 3.19Å; E13-S17 PolarHBondContact O-N 2.93Å; E13-S17 PolarHBondContact O-OG 3.38Å |
| 14 | Y | 50 | Low | 47.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72 | -38.6 | 175.6 | -85.2 | -115 | 0 | 0 | 0 | 112.2 | T10 E11 S17 F18 | T10-Y14 HydrophobicContact CG2-CD2 3.7Å; T10-Y14 HydrophobicContact CG2-CE2 3.36Å; T10-Y14 WeakPolarHBondContact O-CB 3.47Å; T10-Y14 WeakPolarHBondContact O-CD2 3.47Å; T10-Y14 PolarHBondContact O-N 3.18Å; E11-Y14 PolarHBondContact O-N 3.1Å; Y14-S17 WeakPolarHBondContact CA-OG 3.2Å; Y14-S17 PolarHBondContact O-OG 2.79Å; Y14-S17 VanDerWaalsContact O-OG 3.1Å; Y14-F18 VanDerWaalsContact O-CB 3.22Å; Y14-F18 WeakPolarHBondContact O-CB 3.44Å; Y14-F18 PolarHBondContact O-N 3.36Å |
| 15 | L | 50.4 | Low | 48.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.4 | -41.8 | 176.1 | -148.1 | 86.7 | 0 | 0 | 0 | 111.5 | E11 E12 F18 I19 | E11-L15 WeakPolarHBondContact O-CB 3.47Å; E11-L15 PolarHBondContact O-N 2.93Å; E12-L15 PolarHBondContact O-N 3.45Å; L15-F18 PolarHBondContact O-N 3.37Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 2.88Å; L15-I19 VanDerWaalsContact O-N 3.13Å |
| 16 | H | 50.6 | Low | 47.9 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 56% | 0.56 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.8 | -34.9 | 178.6 | -168 | -118.4 | 0 | 0 | 0 | 112.4 | E12 R20 | E12-H16 WeakPolarHBondContact O-CB 3.1Å; E12-H16 PolarHBondContact O-N 2.83Å; H16-R20 WeakPolarHBondContact O-CB 3.43Å; H16-R20 PolarHBondContact O-N 2.81Å; H16-R20 VanDerWaalsContact O-N 3.15Å |
| 17 | S | 45.3 | Very low | 47.7 | Very low | 49 Ų | 49 | 138 Ų | 138 | 34% | 0.343 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.1 | -30.9 | 173.2 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | E13 Y14 R20 K21 | E13-S17 WeakPolarHBondContact O-CB 3.19Å; E13-S17 PolarHBondContact O-N 2.93Å; E13-S17 PolarHBondContact O-OG 3.38Å; Y14-S17 WeakPolarHBondContact CA-OG 3.2Å; Y14-S17 PolarHBondContact O-OG 2.79Å; Y14-S17 VanDerWaalsContact O-OG 3.1Å; S17-R20 PolarHBondContact O-N 3.38Å; S17-K21 PolarHBondContact O-N 2.88Å |
| 18 | F | 45.7 | Very low | 47.4 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 63% | 0.632 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 173.4 | -174.1 | -99.7 | 0 | 0 | 0 | 111.7 | Y14 L15 K21 | Y14-F18 VanDerWaalsContact O-CB 3.22Å; Y14-F18 WeakPolarHBondContact O-CB 3.44Å; Y14-F18 PolarHBondContact O-N 3.36Å; L15-F18 PolarHBondContact O-N 3.37Å; F18-K21 PolarHBondContact O-N 3.37Å |
| 19 | I | 48.6 | Very low | 47.4 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.4 | -36.3 | 175.6 | -66.3 | 178.4 | 0 | 0 | 0 | 111.5 | L15 K21 | L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 2.88Å; L15-I19 VanDerWaalsContact O-N 3.13Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.22Å |
| 20 | R | 48.8 | Very low | 47 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 70% | 0.698 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.3 | -25.9 | 176.6 | -168.6 | -178.1 | -73.3 | 171.4 | -3.2 | 113.6 | H16 S17 | H16-R20 WeakPolarHBondContact O-CB 3.43Å; H16-R20 PolarHBondContact O-N 2.81Å; H16-R20 VanDerWaalsContact O-N 3.15Å; S17-R20 PolarHBondContact O-N 3.38Å |
| 21 | K | 43.3 | Very low | 46.9 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82.5 | -14.9 | -177.7 | -82.3 | -173.9 | 179.6 | 177.4 | 0 | 115 | S17 F18 I19 | S17-K21 PolarHBondContact O-N 2.88Å; F18-K21 PolarHBondContact O-N 3.37Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.22Å |
| 22 | Q | 47.1 | Very low | 46.8 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 6.4 | -177.4 | -91.3 | -125.1 | -25.5 | 0 | 0 | 115.3 | ||
| 23 | G | 48.8 | Very low | 46.6 | Very low | 41 Ų | 41 | 143.4 Ų | 143.4 | 42% | 0.423 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -124.7 | 108.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 24 | N | 41.5 | Very low | 46.6 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | trans | 157.3 | 90.8 | 143.3 | -77.6 | 2.3 | 0 | 0 | 0 | 110.5 | ||||
| 25 | I | 50.7 | Low | 46.5 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | trans | -98.6 | -10.6 | 169.6 | -64.5 | 176.2 | 0 | 0 | 0 | 111.8 | ||||
| 26 | Y | 41.9 | Very low | 46.3 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | trans | -105.3 | 107.6 | 179.6 | -62.6 | -78 | 0 | 0 | 0 | 111.4 | ||||
| 27 | K | 42.6 | Very low | 46.1 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -124.4 | 88 | 161.5 | -170.8 | 168.8 | -173.3 | 173.1 | 0 | 108.2 | N29 | K27-N29 PolarHBondContact O-N 3.22Š| ||
| 28 | P | 39.8 | Very low | 46.5 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | -74.9 | 109.7 | 168.1 | 28.9 | -28.3 | 0 | 0 | 0 | 108.2 | ||||
| 29 | N | 49.3 | Very low | 46.8 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -86.7 | 110.9 | 165.9 | 175.3 | 62.4 | 0 | 0 | 0 | 107.5 | K27 | K27-N29 PolarHBondContact O-N 3.22Š| ||
| 30 | N | 40.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | -151.6 | 106.5 | 154.6 | -146.5 | 50.3 | 0 | 0 | 0 | 110.7 | ||||
| 31 | K | 47.2 | Very low | 46.6 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 70% | 0.7 | 73% | 0.733 | S | S | * | * | trans | -68 | 153.3 | 152 | -67.9 | 175.7 | 175.6 | 174.4 | 0 | 106.8 | ||||
| 32 | D | 48.2 | Very low | 46.8 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 86.9 | 78.3 | 168.5 | -32.7 | -34.4 | 0 | 0 | 0 | 115 | ||||
| 33 | M | 48.1 | Very low | 46.9 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -177.6 | 60.4 | 146.5 | -103.3 | -173.1 | -66.6 | 0 | 0 | 110.5 | ||||
| 34 | E | 49.6 | Very low | 46.8 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -86.9 | -2.3 | -167.5 | -63.7 | -177.7 | -176.8 | 0 | 0 | 115.5 | ||||
| 35 | N | 49 | Very low | 46.9 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -126.2 | -4 | -163.9 | 64.5 | -9.5 | 0 | 0 | 0 | 117.9 | ||
| 36 | E | 46.2 | Very low | 46.9 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.7 | -11.9 | -179.5 | -129.2 | 171.9 | 170.4 | 0 | 0 | 114.6 | ||
| 37 | S | 46.7 | Very low | 47.3 | Very low | 53 Ų | 53 | 142.3 Ų | 142.3 | 37% | 0.371 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -1 | -178.3 | 64.9 | 0 | 0 | 0 | 0 | 115.5 | N39 K41 | S37-N39 VanDerWaalsContact C-N 3.34Å; S37-N39 PolarHBondContact O-N 2.65Å; S37-K41 WeakPolarHBondContact O-CG 3.32Å |
| 38 | L | 53.6 | Low | 47.4 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -23.5 | -174 | -73.8 | 165.9 | 0 | 0 | 0 | 113.6 | ||
| 39 | N | 50.5 | Low | 48.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -20.7 | -175.2 | -155.3 | 30.9 | 0 | 0 | 0 | 113.6 | S37 | S37-N39 VanDerWaalsContact C-N 3.34Å; S37-N39 PolarHBondContact O-N 2.65Å |
| 40 | E | 46.1 | Very low | 48.3 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -27.4 | 177.5 | -144 | 165.5 | 144.3 | 0 | 0 | 112.1 | A42 M43 | E40-A42 PolarHBondContact O-N 3.07Å; E40-M43 PolarHBondContact O-N 2.83Å |
| 41 | K | 47.7 | Very low | 49.2 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 67% | 0.665 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -7 | 172.7 | -81 | 179.7 | 174 | 172.8 | 0 | 115.5 | S37 M43 | S37-K41 WeakPolarHBondContact O-CG 3.32Å; K41-M43 VanDerWaalsContact C-N 3.34Å |
| 42 | A | 48 | Very low | 49.7 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -17.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E40 | E40-A42 PolarHBondContact O-N 3.07Š|
| 43 | M | 49.1 | Very low | 50.4 | Low | 180 Ų | 180 | 138 Ų | 138 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -22.3 | -172.8 | -154.5 | 163.6 | 78.9 | 0 | 0 | 114.2 | E40 K41 | E40-M43 PolarHBondContact O-N 2.83Å; K41-M43 VanDerWaalsContact C-N 3.34Å |
| 44 | E | 47 | Very low | 50.9 | Low | 156 Ų | 156 | 137.3 Ų | 137.3 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -95.4 | 122.8 | 162.1 | -78.4 | -174.4 | 139.4 | 0 | 0 | 109.7 | ||
| 45 | D | 42.6 | Very low | 51.8 | Low | 91 Ų | 91 | 132.8 Ų | 132.8 | 49% | 0.487 | 69% | 0.687 | S | S | . | * | trans | 104.1 | 33.5 | 161.1 | -126.5 | 13.1 | 0 | 0 | 0 | 120.8 | T48 | D45-T48 WeakPolarHBondContact OD1-CA 3.44Å; D45-T48 WeakPolarHBondContact OD1-CB 3.5Å; D45-T48 PolarHBondContact OD1-N 3.24Å; D45-T48 PolarHBondContact OD1-OG1 3.46Å | ||
| 46 | V | 52.2 | Low | 52.6 | Low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -72.2 | -21.9 | 155.2 | 180 | 0 | 0 | 0 | 0 | 111.4 | ||
| 47 | H | 48.4 | Very low | 53.6 | Low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.856 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -87.1 | -21 | -176.3 | -160.8 | 61.4 | 0 | 0 | 0 | 114.4 | ||
| 48 | T | 46.4 | Very low | 54.8 | Low | 79 Ų | 79 | 131 Ų | 131 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | trans | -125.5 | 66.2 | 176.9 | -21.5 | 0 | 0 | 0 | 0 | 109.5 | D45 E50 | D45-T48 WeakPolarHBondContact OD1-CA 3.44Å; D45-T48 WeakPolarHBondContact OD1-CB 3.5Å; D45-T48 PolarHBondContact OD1-N 3.24Å; D45-T48 PolarHBondContact OD1-OG1 3.46Å; T48-E50 VanDerWaalsContact C-N 3.27Å; T48-E50 PolarHBondContact O-N 2.93Å | ||
| 49 | K | 53 | Low | 55.8 | Low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 67% | 0.673 | S | S | * | * | trans | -57.6 | 107.1 | 150.7 | -81.4 | -176 | 176.6 | 173.4 | 0 | 105.5 | I51 | K49-I51 PolarHBondContact O-N 3.34Š| ||
| 50 | E | 55 | Low | 56.7 | Low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -45.7 | 104.2 | 179.8 | -68.8 | -174.1 | 156.8 | 0 | 0 | 108.5 | T48 D52 | T48-E50 VanDerWaalsContact C-N 3.27Å; T48-E50 PolarHBondContact O-N 2.93Å; E50-D52 PolarHBondContact O-N 3.26Å | ||
| 51 | I | 58.3 | Low | 57.9 | Low | 137 Ų | 137 | 132.7 Ų | 132.7 | 70% | 0.703 | 66% | 0.661 | S | S | * | * | trans | -72.1 | 115 | 176.9 | 42.9 | 161.8 | 0 | 0 | 0 | 106.5 | K49 L53 | K49-I51 PolarHBondContact O-N 3.34Å; I51-L53 HydrophobicContact CD1-CD2 4.36Å; I51-L53 PolarHBondContact O-N 2.88Å | ||
| 52 | D | 58.8 | Low | 59.1 | Low | 86 Ų | 86 | 129.5 Ų | 129.5 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | trans | -67.2 | 102.8 | 173.6 | -171.7 | -12.7 | 0 | 0 | 0 | 108.8 | E50 V54 N55 | E50-D52 PolarHBondContact O-N 3.26Å; D52-V54 PolarHBondContact O-N 3.48Å; D52-V54 WeakPolarHBondContact OD1-CA 3.47Å; D52-V54 WeakPolarHBondContact OD1-CB 3.3Å; D52-V54 PolarHBondContact OD1-N 3.33Å; D52-N55 VanDerWaalsContact CG-N 3.29Å; D52-N55 CarbonylContact O-C 3.48Å; D52-N55 PolarHBondContact OD1-N 2.94Å; D52-N55 VanDerWaalsContact OD2-CB 3.26Å; D52-N55 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 53 | L | 61.2 | Low | 59.9 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -70.4 | -19.4 | 179.9 | -71.3 | 152.4 | 0 | 0 | 0 | 112 | I51 R56 | I51-L53 HydrophobicContact CD1-CD2 4.36Å; I51-L53 PolarHBondContact O-N 2.88Å; L53-R56 PolarHBondContact O-NE 3.5Å |
| 54 | V | 60.1 | Low | 60.5 | Low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -89.5 | -49.9 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | D52 | D52-V54 PolarHBondContact O-N 3.48Å; D52-V54 WeakPolarHBondContact OD1-CA 3.47Å; D52-V54 WeakPolarHBondContact OD1-CB 3.3Å; D52-V54 PolarHBondContact OD1-N 3.33Å |
| 55 | N | 67.1 | Low | 61 | Low | 76 Ų | 76 | 125 Ų | 125 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | trans | -102.5 | 91.2 | 174.1 | -169.8 | -2.7 | 0 | 0 | 0 | 112.1 | D52 D57 | D52-N55 VanDerWaalsContact CG-N 3.29Å; D52-N55 CarbonylContact O-C 3.48Å; D52-N55 PolarHBondContact OD1-N 2.94Å; D52-N55 VanDerWaalsContact OD2-CB 3.26Å; D52-N55 WeakPolarHBondContact OD2-CB 3.23Å; N55-D57 VanDerWaalsContact C-N 3.28Å; N55-D57 PolarHBondContact O-N 3.36Å; N55-D57 PolarHBondContact OD1-N 3.18Å; N55-D57 PolarHBondContact OD1-O 3.48Å | ||
| 56 | R | 66 | Low | 61.6 | Low | 204 Ų | 204 | 125.6 Ų | 125.6 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -79.9 | -6.3 | 179.8 | -60 | -179.1 | -174.8 | -173.4 | -1.9 | 114.2 | L53 | L53-R56 PolarHBondContact O-NE 3.5Š|
| 57 | D | 68.1 | Low | 61.9 | Low | 28 Ų | 28 | 126.8 Ų | 126.8 | 15% | 0.15 | 63% | 0.63 | C | S | . | * | trans | -131.3 | 66.1 | 174.2 | -167.6 | -0.4 | 0 | 0 | 0 | 111.4 | N55 K59 R60 I61 N62 | N55-D57 VanDerWaalsContact C-N 3.28Å; N55-D57 PolarHBondContact O-N 3.36Å; N55-D57 PolarHBondContact OD1-N 3.18Å; N55-D57 PolarHBondContact OD1-O 3.48Å; D57-K59 PolarHBondContact O-N 3.48Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-R60 PolarHBondContact O-N 2.8Å; D57-R60 WeakPolarHBondContact OD1-CA 3.16Å; D57-R60 PolarHBondContact OD1-N 3.5Å; D57-I61 VanDerWaalsContact CG-N 3.35Å; D57-I61 WeakPolarHBondContact OD1-CG1 3.32Å; D57-I61 PolarHBondContact OD1-N 2.9Å; D57-I61 PolarHBondContact OD2-N 3.28Å; D57-N62 WeakPolarHBondContact OD2-CB 3.42Å; D57-N62 PolarHBondContact OD2-N 3.01Å; D57-N62 PolarHBondContact OD2-ND2 3.25Å | ||
| 58 | P | 72.6 | Confident | 62.4 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -16.8 | -177.8 | 27.8 | -35.1 | 0 | 0 | 0 | 113 | ||
| 59 | K | 73.9 | Confident | 63.2 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 77% | 0.765 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -0.6 | 178.2 | -67.7 | -177.9 | -179.2 | 178.8 | 0 | 113 | D57 I61 | D57-K59 PolarHBondContact O-N 3.48Å; D57-K59 VanDerWaalsContact O-N 3.1Å; K59-I61 HydrophobicContact CB-CG2 3.84Å; K59-I61 PolarHBondContact O-N 3.28Å |
| 60 | R | 68.7 | Low | 63.5 | Low | 173 Ų | 173 | 114.4 Ų | 114.4 | 65% | 0.653 | 58% | 0.578 | S | S | * | * | trans | 53.5 | 38.4 | 177.5 | -58.8 | 178 | 66.4 | -169.3 | -4.4 | 112.4 | D57 N62 D63 | D57-R60 PolarHBondContact O-N 2.8Å; D57-R60 WeakPolarHBondContact OD1-CA 3.16Å; D57-R60 PolarHBondContact OD1-N 3.5Å; R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 PolarHBondContact O-N 3.35Å; R60-D63 HydrophobicContact CB-CB 4.46Å; R60-D63 IonicContact CZ-OD2 3.09Å; R60-D63 IonicContact NE-OD2 2.67Å; R60-D63 PolarHBondContact NE-OD2 3.34Å; R60-D63 IonicContact NH2-OD2 2.69Å; R60-D63 PolarHBondContact NH2-OD2 2.89Å | ||
| 61 | I | 72.6 | Confident | 63.7 | Low | 124 Ų | 124 | 111.7 Ų | 111.7 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -19.4 | -177.2 | 64.7 | 174.5 | 0 | 0 | 0 | 112.6 | D57 K59 | D57-I61 VanDerWaalsContact CG-N 3.35Å; D57-I61 WeakPolarHBondContact OD1-CG1 3.32Å; D57-I61 PolarHBondContact OD1-N 2.9Å; D57-I61 PolarHBondContact OD2-N 3.28Å; K59-I61 HydrophobicContact CB-CG2 3.84Å; K59-I61 PolarHBondContact O-N 3.28Å |
| 62 | N | 71.8 | Confident | 63.8 | Low | 86 Ų | 86 | 110.6 Ų | 110.6 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.8 | 6.3 | -177.8 | -53.2 | -69 | 0 | 0 | 0 | 113.8 | D57 R60 D64 V65 | D57-N62 WeakPolarHBondContact OD2-CB 3.42Å; D57-N62 PolarHBondContact OD2-N 3.01Å; D57-N62 PolarHBondContact OD2-ND2 3.25Å; R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 PolarHBondContact O-N 3.35Å; N62-D64 PolarHBondContact O-N 3.1Å; N62-D64 VanDerWaalsContact O-N 3.14Å; N62-V65 PolarHBondContact O-N 3.08Å |
| 63 | D | 64.8 | Low | 64.1 | Low | 51 Ų | 51 | 110.7 Ų | 110.7 | 27% | 0.273 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | -175.4 | -91.5 | 23.6 | 0 | 0 | 0 | 113.6 | R60 | R60-D63 HydrophobicContact CB-CB 4.46Å; R60-D63 IonicContact CZ-OD2 3.09Å; R60-D63 IonicContact NE-OD2 2.67Å; R60-D63 PolarHBondContact NE-OD2 3.34Å; R60-D63 IonicContact NH2-OD2 2.69Å; R60-D63 PolarHBondContact NH2-OD2 2.89Å |
| 64 | D | 61 | Low | 64.1 | Low | 161 Ų | 161 | 108.8 Ų | 108.8 | 86% | 0.861 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.2 | -174.6 | -59.3 | -36.4 | 0 | 0 | 0 | 113.8 | N62 | N62-D64 PolarHBondContact O-N 3.1Å; N62-D64 VanDerWaalsContact O-N 3.14Å |
| 65 | V | 57.7 | Low | 64.1 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.655 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -23.8 | -164 | 179.4 | 0 | 0 | 0 | 0 | 113.8 | N62 | N62-V65 PolarHBondContact O-N 3.08Š|
| 66 | V | 55.9 | Low | 63.7 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | trans | -140.5 | 59.4 | -168.8 | -164.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | K | 58.7 | Low | 63.3 | Low | 161 Ų | 161 | 100 Ų | 100 | 70% | 0.7 | 53% | 0.528 | S | S | * | . | trans | -113.3 | 90.6 | 159.3 | -63.2 | -177.6 | -171.5 | 174.3 | 0 | 106.7 | ||||
| 68 | V | 58.8 | Low | 62.4 | Low | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | trans | -114.1 | 105.2 | 173.3 | -172.4 | 0 | 0 | 0 | 0 | 105.9 | I73 | V68-I73 HydrophobicContact CG1-CD1 3.53Å; V68-I73 HydrophobicContact CG1-CG1 3.66Å | ||
| 69 | D | 63.8 | Low | 61.6 | Low | 100 Ų | 100 | 102 Ų | 102 | 54% | 0.535 | 56% | 0.562 | S | S | . | * | trans | -88.6 | 156.7 | -179 | -67.9 | -40.5 | 0 | 0 | 0 | 110.3 | E71 D72 | D69-E71 PolarHBondContact O-N 3.33Å; D69-D72 PolarHBondContact N-OD2 3.35Å; D69-D72 WeakPolarHBondContact O-CB 3.49Å; D69-D72 PolarHBondContact O-N 3.23Å | ||
| 70 | F | 59 | Low | 60.5 | Low | 12 Ų | 12 | 98.3 Ų | 98.3 | 5% | 0.053 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -57.6 | -35.4 | -178.8 | 174.9 | -103.9 | 0 | 0 | 0 | 111.8 | D72 I73 I74 W87 F91 F94 | F70-D72 VanDerWaalsContact C-N 3.28Å; F70-D72 PolarHBondContact O-N 3.09Å; F70-I73 PolarHBondContact O-N 3.35Å; F70-I74 HydrophobicContact CE2-CB 4.4Å; F70-I74 HydrophobicContact CE2-CG1 4.2Å; F70-I74 HydrophobicContact CZ-CB 4.26Å; F70-I74 HydrophobicContact CZ-CG1 4.46Å; F70-I74 HydrophobicContact CZ-CG2 4.46Å; F70-I74 PolarHBondContact O-N 3.18Å; F70-W87 HydrophobicContact CD1-CZ2 4.38Å; F70-W87 HydrophobicContact CE1-CD2 4.42Å; F70-W87 HydrophobicContact CE1-CE3 4.36Å; F70-W87 AromaticContact CE1-CH2 3.95Å; F70-W87 HydrophobicContact CE1-CH2 3.95Å; F70-W87 HydrophobicContact CE1-CZ2 4Å; F70-W87 HydrophobicContact CE1-CZ3 4.11Å; F70-F91 HydrophobicContact CB-CD2 3.59Å; F70-F91 HydrophobicContact CB-CE2 3.89Å; F70-F91 HydrophobicContact CD1-CB 4.07Å; F70-F91 AromaticContact CD1-CD2 3.63Å; F70-F91 HydrophobicContact CD1-CD2 3.63Å; F70-F91 HydrophobicContact CD1-CG 4.36Å; F70-F91 HydrophobicContact CE1-CB 4.12Å; F70-F91 HydrophobicContact CE1-CD2 4.49Å; F70-F91 HydrophobicContact CG-CB 4.49Å; F70-F91 AromaticContact CG-CD2 3.75Å; F70-F91 HydrophobicContact CG-CD2 3.75Å; F70-F94 HydrophobicContact CB-CD1 3.97Å; F70-F94 HydrophobicContact CB-CE1 4.25Å; F70-F94 HydrophobicContact CD2-CB 3.64Å; F70-F94 AromaticContact CD2-CD1 3.47Å; F70-F94 HydrophobicContact CD2-CD1 3.47Å; F70-F94 VanDerWaalsContact CD2-CD1 3.47Å; F70-F94 HydrophobicContact CD2-CD2 4.23Å; F70-F94 HydrophobicContact CD2-CE1 4.18Å; F70-F94 AromaticContact CD2-CG 3.5Å; F70-F94 HydrophobicContact CD2-CG 3.5Å; F70-F94 HydrophobicContact CE2-CB 3.79Å; F70-F94 HydrophobicContact CE2-CD1 4.43Å; F70-F94 HydrophobicContact CE2-CG 4.03Å; F70-F94 HydrophobicContact CG-CD1 4.17Å |
| 71 | E | 59.3 | Low | 59.9 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.2 | -25 | 178.3 | -64.8 | 166.1 | -173.6 | 0 | 0 | 112.6 | D69 I73 | D69-E71 PolarHBondContact O-N 3.33Å; E71-I73 VanDerWaalsContact C-N 3.33Å |
| 72 | D | 60.7 | Low | 59.2 | Low | 114 Ų | 114 | 95.6 Ų | 95.6 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.6 | -20.9 | 174.8 | -63.1 | -38.2 | 0 | 0 | 0 | 112.5 | D69 F70 | D69-D72 PolarHBondContact N-OD2 3.35Å; D69-D72 WeakPolarHBondContact O-CB 3.49Å; D69-D72 PolarHBondContact O-N 3.23Å; F70-D72 VanDerWaalsContact C-N 3.28Å; F70-D72 PolarHBondContact O-N 3.09Å |
| 73 | I | 63.8 | Low | 58.7 | Low | 89 Ų | 89 | 100 Ų | 100 | 46% | 0.456 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -102.9 | -39 | -175.6 | -57.3 | 164.7 | 0 | 0 | 0 | 111.4 | V68 F70 E71 F94 | V68-I73 HydrophobicContact CG1-CD1 3.53Å; V68-I73 HydrophobicContact CG1-CG1 3.66Å; F70-I73 PolarHBondContact O-N 3.35Å; E71-I73 VanDerWaalsContact C-N 3.33Å; I73-F94 HydrophobicContact CD1-CE1 4.03Å; I73-F94 HydrophobicContact CD1-CE2 4.06Å; I73-F94 HydrophobicContact CD1-CZ 3.31Å |
| 74 | I | 61.8 | Low | 58.7 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -126.2 | 86.3 | 179.2 | -55.9 | -78.8 | 0 | 0 | 0 | 106.5 | F70 W87 | F70-I74 HydrophobicContact CE2-CB 4.4Å; F70-I74 HydrophobicContact CE2-CG1 4.2Å; F70-I74 HydrophobicContact CZ-CB 4.26Å; F70-I74 HydrophobicContact CZ-CG1 4.46Å; F70-I74 HydrophobicContact CZ-CG2 4.46Å; F70-I74 PolarHBondContact O-N 3.18Å; I74-W87 HydrophobicContact CG2-CH2 4.43Å; I74-W87 HydrophobicContact CG2-CZ3 4.09Å; I74-W87 VanDerWaalsContact O-CH2 3.28Å; I74-W87 WeakPolarHBondContact O-CH2 3.07Å |
| 75 | A | 59 | Low | 59 | Low | 82 Ų | 82 | 97.7 Ų | 97.7 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | trans | -92.8 | 109.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 76 | E | 59.8 | Low | 59.7 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 30% | 0.299 | 55% | 0.552 | S | S | . | * | trans | -74.3 | 128.5 | 166.3 | -79.8 | -179.4 | -165.4 | 0 | 0 | 109.4 | S82 W87 | E76-S82 VanDerWaalsContact CD-OG 3.22Å; E76-S82 WeakPolarHBondContact OE1-CB 3.49Å; E76-S82 PolarHBondContact OE1-OG 3.39Å; E76-S82 WeakPolarHBondContact OE2-CB 3.24Å; E76-S82 PolarHBondContact OE2-N 2.97Å; E76-S82 PolarHBondContact OE2-OG 3.23Å; E76-W87 HydrophobicContact CB-CH2 4.21Å; E76-W87 HydrophobicContact CB-CZ3 4.09Å; E76-W87 VanDerWaalsContact CD-CE3 3.5Å; E76-W87 HydrophobicContact CG-CE3 4.19Å; E76-W87 HydrophobicContact CG-CH2 4.1Å; E76-W87 HydrophobicContact CG-CZ3 3.5Å; E76-W87 VanDerWaalsContact OE1-CE3 3.26Å; E76-W87 VanDerWaalsContact OE1-CZ3 3.31Å; E76-W87 WeakPolarHBondContact OE1-CZ3 3.33Å | ||
| 77 | P | 58.1 | Low | 60.5 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | trans | -69.5 | 145.6 | 179.1 | 27.6 | -33 | 0 | 0 | 0 | 111.4 | G79 T80 | P77-G79 PolarHBondContact O-N 2.85Å; P77-T80 PolarHBondContact O-N 2.69Å | ||
| 78 | A | 49 | Very low | 61 | Low | 102 Ų | 102 | 94.2 Ų | 94.2 | 84% | 0.843 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 89.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 79 | G | 55.3 | Low | 61.8 | Low | 62 Ų | 62 | 93 Ų | 93 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 158.8 | -21.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P77 | P77-G79 PolarHBondContact O-N 2.85Š|
| 80 | T | 51.5 | Low | 62.3 | Low | 98 Ų | 98 | 90.7 Ų | 90.7 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | trans | -134 | 83.5 | 177.2 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | P77 | P77-T80 PolarHBondContact O-N 2.69Š| ||
| 81 | Y | 55.3 | Low | 63.1 | Low | 190 Ų | 190 | 94.5 Ų | 94.5 | 75% | 0.745 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 123.6 | 177.2 | -66.3 | -81.8 | 0 | 0 | 0 | 110.4 | ||
| 82 | S | 57.8 | Low | 63.7 | Low | 50 Ų | 50 | 92.3 Ų | 92.3 | 35% | 0.35 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 156.2 | 160.6 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | E76 D84 | E76-S82 VanDerWaalsContact CD-OG 3.22Å; E76-S82 WeakPolarHBondContact OE1-CB 3.49Å; E76-S82 PolarHBondContact OE1-OG 3.39Å; E76-S82 WeakPolarHBondContact OE2-CB 3.24Å; E76-S82 PolarHBondContact OE2-N 2.97Å; E76-S82 PolarHBondContact OE2-OG 3.23Å; S82-D84 PolarHBondContact O-N 2.84Å |
| 83 | F | 62.6 | Low | 64.5 | Low | 180 Ų | 180 | 91.1 Ų | 91.1 | 79% | 0.789 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 128.3 | 175.7 | -137.5 | -94.1 | 0 | 0 | 0 | 110.2 | G85 V86 W87 | F83-G85 PolarHBondContact O-N 3.36Å; F83-V86 HydrophobicContact CB-CG2 4.22Å; F83-V86 WeakPolarHBondContact O-CB 3.36Å; F83-V86 PolarHBondContact O-N 3.01Å; F83-W87 PolarHBondContact O-N 3.06Å |
| 84 | D | 64.6 | Low | 65.1 | Low | 116 Ų | 116 | 89.8 Ų | 89.8 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -50.3 | -32.8 | -174 | -69.6 | -13.3 | 0 | 0 | 0 | 114 | S82 K88 | S82-D84 PolarHBondContact O-N 2.84Å; D84-K88 WeakPolarHBondContact O-CB 3.38Å; D84-K88 WeakPolarHBondContact O-CG 3.41Å; D84-K88 PolarHBondContact O-N 2.78Å |
| 85 | G | 65.8 | Low | 65.6 | Low | 47 Ų | 47 | 88.4 Ų | 88.4 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F83 A89 | F83-G85 PolarHBondContact O-N 3.36Å; G85-A89 WeakPolarHBondContact O-CB 3.49Å; G85-A89 PolarHBondContact O-N 3.1Å |
| 86 | V | 72.6 | Confident | 66.4 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.3 | -37.8 | 178.1 | -180 | 0 | 0 | 0 | 0 | 110.1 | F83 S90 | F83-V86 HydrophobicContact CB-CG2 4.22Å; F83-V86 WeakPolarHBondContact O-CB 3.36Å; F83-V86 PolarHBondContact O-N 3.01Å; V86-S90 VanDerWaalsContact O-CB 3.25Å; V86-S90 WeakPolarHBondContact O-CB 3.03Å; V86-S90 PolarHBondContact O-N 3.36Å; V86-S90 PolarHBondContact O-OG 2.99Å |
| 87 | W | 72.6 | Confident | 67.3 | Low | 68 Ų | 68 | 88.8 Ų | 88.8 | 26% | 0.258 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -50.8 | 175.4 | -173.3 | -107.2 | 0 | 0 | 0 | 111.6 | F70 I74 E76 F83 A89 S90 F91 | F70-W87 HydrophobicContact CD1-CZ2 4.38Å; F70-W87 HydrophobicContact CE1-CD2 4.42Å; F70-W87 HydrophobicContact CE1-CE3 4.36Å; F70-W87 AromaticContact CE1-CH2 3.95Å; F70-W87 HydrophobicContact CE1-CH2 3.95Å; F70-W87 HydrophobicContact CE1-CZ2 4Å; F70-W87 HydrophobicContact CE1-CZ3 4.11Å; I74-W87 HydrophobicContact CG2-CH2 4.43Å; I74-W87 HydrophobicContact CG2-CZ3 4.09Å; I74-W87 VanDerWaalsContact O-CH2 3.28Å; I74-W87 WeakPolarHBondContact O-CH2 3.07Å; E76-W87 HydrophobicContact CB-CH2 4.21Å; E76-W87 HydrophobicContact CB-CZ3 4.09Å; E76-W87 VanDerWaalsContact CD-CE3 3.5Å; E76-W87 HydrophobicContact CG-CE3 4.19Å; E76-W87 HydrophobicContact CG-CH2 4.1Å; E76-W87 HydrophobicContact CG-CZ3 3.5Å; E76-W87 VanDerWaalsContact OE1-CE3 3.26Å; E76-W87 VanDerWaalsContact OE1-CZ3 3.31Å; E76-W87 WeakPolarHBondContact OE1-CZ3 3.33Å; F83-W87 PolarHBondContact O-N 3.06Å; W87-A89 PolarHBondContact O-N 3.27Å; W87-S90 PolarHBondContact O-N 3.47Å; W87-F91 WeakPolarHBondContact O-CB 3.49Å; W87-F91 PolarHBondContact O-N 3.03Å |
| 88 | K | 70.5 | Confident | 68.1 | Low | 146 Ų | 146 | 89.8 Ų | 89.8 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 176.9 | -72.9 | -178.4 | -179.3 | -176 | 0 | 113 | D84 T92 | D84-K88 WeakPolarHBondContact O-CB 3.38Å; D84-K88 WeakPolarHBondContact O-CG 3.41Å; D84-K88 PolarHBondContact O-N 2.78Å; K88-T92 WeakPolarHBondContact O-CB 3.32Å; K88-T92 PolarHBondContact O-N 3.47Å; K88-T92 PolarHBondContact O-OG1 2.85Å |
| 89 | A | 74.8 | Confident | 69.3 | Low | 50 Ų | 50 | 91.1 Ų | 91.1 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G85 W87 T92 T93 | G85-A89 WeakPolarHBondContact O-CB 3.49Å; G85-A89 PolarHBondContact O-N 3.1Å; W87-A89 PolarHBondContact O-N 3.27Å; A89-T92 PolarHBondContact O-N 3.11Å; A89-T93 WeakPolarHBondContact O-CB 3.32Å; A89-T93 PolarHBondContact O-N 3.32Å; A89-T93 PolarHBondContact O-OG1 3.44Å; A89-T93 VanDerWaalsContact O-OG1 3.09Å |
| 90 | S | 74.6 | Confident | 70.5 | Confident | 51 Ų | 51 | 96 Ų | 96 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | V86 W87 T92 T93 F94 | V86-S90 VanDerWaalsContact O-CB 3.25Å; V86-S90 WeakPolarHBondContact O-CB 3.03Å; V86-S90 PolarHBondContact O-N 3.36Å; V86-S90 PolarHBondContact O-OG 2.99Å; W87-S90 PolarHBondContact O-N 3.47Å; S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact O-N 3.36Å; S90-T93 PolarHBondContact O-N 2.85Å; S90-F94 WeakPolarHBondContact O-CB 3.38Å; S90-F94 PolarHBondContact O-N 3.34Å |
| 91 | F | 74.9 | Confident | 71.9 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 40% | 0.404 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 173.7 | 177.8 | -97.1 | 0 | 0 | 0 | 112 | F70 W87 T95 | F70-F91 HydrophobicContact CB-CD2 3.59Å; F70-F91 HydrophobicContact CB-CE2 3.89Å; F70-F91 HydrophobicContact CD1-CB 4.07Å; F70-F91 AromaticContact CD1-CD2 3.63Å; F70-F91 HydrophobicContact CD1-CD2 3.63Å; F70-F91 HydrophobicContact CD1-CG 4.36Å; F70-F91 HydrophobicContact CE1-CB 4.12Å; F70-F91 HydrophobicContact CE1-CD2 4.49Å; F70-F91 HydrophobicContact CG-CB 4.49Å; F70-F91 AromaticContact CG-CD2 3.75Å; F70-F91 HydrophobicContact CG-CD2 3.75Å; W87-F91 WeakPolarHBondContact O-CB 3.49Å; W87-F91 PolarHBondContact O-N 3.03Å; F91-T95 WeakPolarHBondContact O-CB 3.38Å; F91-T95 PolarHBondContact O-N 3Å; F91-T95 PolarHBondContact O-OG1 3.23Å |
| 92 | T | 73.3 | Confident | 73.1 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -50.4 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | K88 A89 S90 F94 T95 V96 | K88-T92 WeakPolarHBondContact O-CB 3.32Å; K88-T92 PolarHBondContact O-N 3.47Å; K88-T92 PolarHBondContact O-OG1 2.85Å; A89-T92 PolarHBondContact O-N 3.11Å; S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact O-N 3.36Å; T92-F94 VanDerWaalsContact C-N 3.32Å; T92-F94 PolarHBondContact O-N 3.27Å; T92-T95 PolarHBondContact O-N 3.23Å; T92-V96 HydrophobicContact CG2-CG2 4.34Å; T92-V96 WeakPolarHBondContact O-CB 3.41Å; T92-V96 VanDerWaalsContact O-CG2 3.23Å; T92-V96 WeakPolarHBondContact O-CG2 3.38Å; T92-V96 PolarHBondContact O-N 2.82Å |
| 93 | T | 77.9 | Confident | 74.2 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | -179.5 | -60.8 | 0 | 0 | 0 | 0 | 112 | A89 S90 T97 | A89-T93 WeakPolarHBondContact O-CB 3.32Å; A89-T93 PolarHBondContact O-N 3.32Å; A89-T93 PolarHBondContact O-OG1 3.44Å; A89-T93 VanDerWaalsContact O-OG1 3.09Å; S90-T93 PolarHBondContact O-N 2.85Å; T93-T97 WeakPolarHBondContact O-CB 3.31Å; T93-T97 PolarHBondContact O-N 2.92Å; T93-T97 PolarHBondContact O-OG1 3.44Å |
| 94 | F | 75.3 | Confident | 75.1 | Confident | 60 Ų | 60 | 93.9 Ų | 93.9 | 26% | 0.263 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 174.9 | 176.5 | -98.7 | 0 | 0 | 0 | 111.8 | F70 I73 S90 T92 V96 T97 K98 | F70-F94 HydrophobicContact CB-CD1 3.97Å; F70-F94 HydrophobicContact CB-CE1 4.25Å; F70-F94 HydrophobicContact CD2-CB 3.64Å; F70-F94 AromaticContact CD2-CD1 3.47Å; F70-F94 HydrophobicContact CD2-CD1 3.47Å; F70-F94 VanDerWaalsContact CD2-CD1 3.47Å; F70-F94 HydrophobicContact CD2-CD2 4.23Å; F70-F94 HydrophobicContact CD2-CE1 4.18Å; F70-F94 AromaticContact CD2-CG 3.5Å; F70-F94 HydrophobicContact CD2-CG 3.5Å; F70-F94 HydrophobicContact CE2-CB 3.79Å; F70-F94 HydrophobicContact CE2-CD1 4.43Å; F70-F94 HydrophobicContact CE2-CG 4.03Å; F70-F94 HydrophobicContact CG-CD1 4.17Å; I73-F94 HydrophobicContact CD1-CE1 4.03Å; I73-F94 HydrophobicContact CD1-CE2 4.06Å; I73-F94 HydrophobicContact CD1-CZ 3.31Å; S90-F94 WeakPolarHBondContact O-CB 3.38Å; S90-F94 PolarHBondContact O-N 3.34Å; T92-F94 VanDerWaalsContact C-N 3.32Å; T92-F94 PolarHBondContact O-N 3.27Å; F94-V96 PolarHBondContact O-N 2.97Å; F94-T97 PolarHBondContact O-N 3.43Å; F94-K98 HydrophobicContact CE1-CD 4.25Å; F94-K98 HydrophobicContact CZ-CD 4.35Å; F94-K98 VanDerWaalsContact O-CB 3.31Å; F94-K98 WeakPolarHBondContact O-CB 3.39Å; F94-K98 PolarHBondContact O-N 3.25Å |
| 95 | T | 73.2 | Confident | 75.8 | Confident | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | -178 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | F91 T92 Y99 | F91-T95 WeakPolarHBondContact O-CB 3.38Å; F91-T95 PolarHBondContact O-N 3Å; F91-T95 PolarHBondContact O-OG1 3.23Å; T92-T95 PolarHBondContact O-N 3.23Å; T95-Y99 WeakPolarHBondContact O-CB 3.42Å; T95-Y99 PolarHBondContact O-N 2.79Å |
| 96 | V | 75.7 | Confident | 76.7 | Confident | 70 Ų | 70 | 93.5 Ų | 93.5 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 177.9 | 173 | 0 | 0 | 0 | 0 | 110.3 | T92 F94 K98 Y99 W100 | T92-V96 HydrophobicContact CG2-CG2 4.34Å; T92-V96 WeakPolarHBondContact O-CB 3.41Å; T92-V96 VanDerWaalsContact O-CG2 3.23Å; T92-V96 WeakPolarHBondContact O-CG2 3.38Å; T92-V96 PolarHBondContact O-N 2.82Å; F94-V96 PolarHBondContact O-N 2.97Å; V96-K98 PolarHBondContact O-N 2.94Å; V96-Y99 PolarHBondContact O-N 2.94Å; V96-W100 PolarHBondContact O-N 3.39Å |
| 97 | T | 77.9 | Confident | 77.1 | Confident | 85 Ų | 85 | 92.3 Ų | 92.3 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | T93 F94 Y99 W100 C101 | T93-T97 WeakPolarHBondContact O-CB 3.31Å; T93-T97 PolarHBondContact O-N 2.92Å; T93-T97 PolarHBondContact O-OG1 3.44Å; F94-T97 PolarHBondContact O-N 3.43Å; T97-Y99 VanDerWaalsContact C-N 3.34Å; T97-Y99 PolarHBondContact O-N 2.88Å; T97-W100 PolarHBondContact O-N 2.9Å; T97-C101 WeakPolarHBondContact O-CB 3.46Å; T97-C101 PolarHBondContact O-N 2.85Å |
| 98 | K | 75.8 | Confident | 77.7 | Confident | 111 Ų | 111 | 95.2 Ų | 95.2 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.8 | -177.6 | 177 | 71.3 | 89.9 | 0 | 111.7 | F94 V96 Y102 | F94-K98 HydrophobicContact CE1-CD 4.25Å; F94-K98 HydrophobicContact CZ-CD 4.35Å; F94-K98 VanDerWaalsContact O-CB 3.31Å; F94-K98 WeakPolarHBondContact O-CB 3.39Å; F94-K98 PolarHBondContact O-N 3.25Å; V96-K98 PolarHBondContact O-N 2.94Å; K98-Y102 VanDerWaalsContact O-CB 3.29Å; K98-Y102 WeakPolarHBondContact O-CB 3.23Å; K98-Y102 PolarHBondContact O-N 3.46Å |
| 99 | Y | 74.6 | Confident | 78.5 | Confident | 129 Ų | 129 | 92.1 Ų | 92.1 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | -179.3 | -178.3 | -102.6 | 0 | 0 | 0 | 112.7 | T95 V96 T97 Y102 R103 | T95-Y99 WeakPolarHBondContact O-CB 3.42Å; T95-Y99 PolarHBondContact O-N 2.79Å; V96-Y99 PolarHBondContact O-N 2.94Å; T97-Y99 VanDerWaalsContact C-N 3.34Å; T97-Y99 PolarHBondContact O-N 2.88Å; Y99-Y102 PolarHBondContact O-N 3.25Å; Y99-R103 HydrophobicContact CE1-CG 4.34Å; Y99-R103 WeakPolarHBondContact O-CG 3.41Å; Y99-R103 PolarHBondContact O-N 3.33Å; Y99-R103 PolarHBondContact OH-NH1 2.92Å |
| 100 | W | 78.5 | Confident | 79.1 | Confident | 164 Ų | 164 | 91 Ų | 91 | 62% | 0.621 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.2 | -41.4 | 178 | -79.4 | 99.8 | 0 | 0 | 0 | 112.5 | V96 T97 R103 L104 | V96-W100 PolarHBondContact O-N 3.39Å; T97-W100 PolarHBondContact O-N 2.9Å; W100-R103 PolarHBondContact O-N 2.98Å; W100-L104 WeakPolarHBondContact O-CB 3.39Å; W100-L104 PolarHBondContact O-N 3.22Å |
| 101 | C | 81.1 | Confident | 79.6 | Confident | 66 Ų | 66 | 94 Ų | 94 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | T97 R103 L104 L105 | T97-C101 WeakPolarHBondContact O-CB 3.46Å; T97-C101 PolarHBondContact O-N 2.85Å; C101-R103 PolarHBondContact O-N 2.91Å; C101-L104 PolarHBondContact O-N 3.29Å; C101-L105 WeakPolarHBondContact O-CD1 3.24Å; C101-L105 PolarHBondContact O-N 3.33Å; C101-L105 VanDerWaalsContact SG-CD1 3.5Å |
| 102 | Y | 81.6 | Confident | 80.3 | Confident | 153 Ų | 153 | 92.7 Ų | 92.7 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 176.4 | 178.2 | -101.3 | 0 | 0 | 0 | 112.8 | K98 Y99 L104 T106 | K98-Y102 VanDerWaalsContact O-CB 3.29Å; K98-Y102 WeakPolarHBondContact O-CB 3.23Å; K98-Y102 PolarHBondContact O-N 3.46Å; Y99-Y102 PolarHBondContact O-N 3.25Å; Y102-L104 PolarHBondContact O-N 3.28Å; Y102-T106 VanDerWaalsContact O-CB 3.22Å; Y102-T106 WeakPolarHBondContact O-CB 3.49Å; Y102-T106 PolarHBondContact O-N 2.94Å; Y102-T106 PolarHBondContact O-OG1 3.5Å |
| 103 | R | 79.7 | Confident | 80.9 | Confident | 130 Ų | 130 | 93 Ų | 93 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.3 | -76.2 | -175.8 | 68.2 | 167.8 | -1 | 112.1 | Y99 W100 C101 A107 | Y99-R103 HydrophobicContact CE1-CG 4.34Å; Y99-R103 WeakPolarHBondContact O-CG 3.41Å; Y99-R103 PolarHBondContact O-N 3.33Å; Y99-R103 PolarHBondContact OH-NH1 2.92Å; W100-R103 PolarHBondContact O-N 2.98Å; C101-R103 PolarHBondContact O-N 2.91Å; R103-A107 VanDerWaalsContact O-CB 3.29Å; R103-A107 WeakPolarHBondContact O-CB 3.21Å; R103-A107 PolarHBondContact O-N 3.41Å |
| 104 | L | 81.9 | Confident | 81.4 | Confident | 126 Ų | 126 | 91.8 Ų | 91.8 | 66% | 0.66 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.2 | -46.1 | 179.6 | -173.5 | 65.4 | 0 | 0 | 0 | 111.5 | W100 C101 Y102 A107 L108 | W100-L104 WeakPolarHBondContact O-CB 3.39Å; W100-L104 PolarHBondContact O-N 3.22Å; C101-L104 PolarHBondContact O-N 3.29Å; Y102-L104 PolarHBondContact O-N 3.28Å; L104-A107 PolarHBondContact O-N 3.49Å; L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 PolarHBondContact O-N 3.17Å |
| 105 | L | 78.9 | Confident | 82.1 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.6 | -90.7 | 82.9 | 0 | 0 | 0 | 111.6 | C101 A107 L108 V109 | C101-L105 WeakPolarHBondContact O-CD1 3.24Å; C101-L105 PolarHBondContact O-N 3.33Å; C101-L105 VanDerWaalsContact SG-CD1 3.5Å; L105-A107 VanDerWaalsContact C-N 3.35Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-V109 WeakPolarHBondContact O-CB 3.41Å; L105-V109 PolarHBondContact O-N 3.49Å |
| 106 | T | 84.6 | Confident | 83 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -66.3 | -38.1 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Y102 G110 | Y102-T106 VanDerWaalsContact O-CB 3.22Å; Y102-T106 WeakPolarHBondContact O-CB 3.49Å; Y102-T106 PolarHBondContact O-N 2.94Å; Y102-T106 PolarHBondContact O-OG1 3.5Å; T106-G110 WeakPolarHBondContact O-CA 3.43Å; T106-G110 PolarHBondContact O-N 3.37Å |
| 107 | A | 82.8 | Confident | 83.8 | Confident | 60 Ų | 60 | 99.6 Ų | 99.6 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | I | π-helix | trans | -66.4 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R103 L104 L105 | R103-A107 VanDerWaalsContact O-CB 3.29Å; R103-A107 WeakPolarHBondContact O-CB 3.21Å; R103-A107 PolarHBondContact O-N 3.41Å; L104-A107 PolarHBondContact O-N 3.49Å; L105-A107 VanDerWaalsContact C-N 3.35Å |
| 108 | L | 84.3 | Confident | 84.5 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | I | π-helix | trans | -74 | -42.9 | -177.5 | -172.4 | 71.1 | 0 | 0 | 0 | 112.6 | L104 L105 P112 | L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 PolarHBondContact O-N 3.17Å; L105-L108 PolarHBondContact O-N 2.97Å; L108-P112 VanDerWaalsContact O-CD 3.24Å; L108-P112 WeakPolarHBondContact O-CD 3.47Å; L108-P112 VanDerWaalsContact O-CG 3.25Å; L108-P112 WeakPolarHBondContact O-CG 3.3Å |
| 109 | V | 87.9 | Confident | 85.3 | Confident | 81 Ų | 81 | 97.3 Ų | 97.3 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -106.5 | -29.9 | -170.5 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | L105 P112 L113 | L105-V109 WeakPolarHBondContact O-CB 3.41Å; L105-V109 PolarHBondContact O-N 3.49Å; V109-P112 WeakPolarHBondContact O-CD 3.38Å; V109-L113 WeakPolarHBondContact O-CB 3.15Å; V109-L113 PolarHBondContact O-N 3.3Å |
| 110 | G | 86.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 96 Ų | 96 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -65.1 | -43.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T106 L113 A114 | T106-G110 WeakPolarHBondContact O-CA 3.43Å; T106-G110 PolarHBondContact O-N 3.37Å; G110-L113 PolarHBondContact O-N 2.82Å; G110-A114 WeakPolarHBondContact O-CB 3.28Å; G110-A114 PolarHBondContact O-N 3.3Å |
| 111 | I | 84.8 | Confident | 86.9 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -50.8 | 178.3 | -59 | 169.4 | 0 | 0 | 0 | 111.1 | L113 A114 L115 | I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.01Å; I111-A114 PolarHBondContact O-N 3.02Å; I111-L115 HydrophobicContact CG2-CD1 4.49Å; I111-L115 WeakPolarHBondContact O-CG 3.33Å; I111-L115 PolarHBondContact O-N 3.45Å; I111-L115 VanDerWaalsContact O-N 3.12Å |
| 112 | P | 89.1 | Confident | 87.5 | Confident | 63 Ų | 63 | 93.5 Ų | 93.5 | 41% | 0.409 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 174.4 | -27 | 35 | 0 | 0 | 0 | 113.5 | L108 V109 L115 I116 | L108-P112 VanDerWaalsContact O-CD 3.24Å; L108-P112 WeakPolarHBondContact O-CD 3.47Å; L108-P112 VanDerWaalsContact O-CG 3.25Å; L108-P112 WeakPolarHBondContact O-CG 3.3Å; V109-P112 WeakPolarHBondContact O-CD 3.38Å; P112-L115 PolarHBondContact O-N 2.91Å; P112-I116 WeakPolarHBondContact O-CG1 3.44Å; P112-I116 PolarHBondContact O-N 2.97Å |
| 113 | L | 87.1 | Confident | 88.1 | Confident | 84 Ų | 84 | 91 Ų | 91 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | -178.8 | -168.6 | 64 | 0 | 0 | 0 | 111.5 | V109 G110 I111 L115 I116 W117 | V109-L113 WeakPolarHBondContact O-CB 3.15Å; V109-L113 PolarHBondContact O-N 3.3Å; G110-L113 PolarHBondContact O-N 2.82Å; I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.01Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.39Å; L113-I116 PolarHBondContact O-N 3.44Å; L113-W117 PolarHBondContact O-N 3.31Å |
| 114 | A | 88.3 | Confident | 88.7 | Confident | 63 Ų | 63 | 88.7 Ų | 88.7 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | G110 I111 W117 G118 | G110-A114 WeakPolarHBondContact O-CB 3.28Å; G110-A114 PolarHBondContact O-N 3.3Å; I111-A114 PolarHBondContact O-N 3.02Å; A114-W117 PolarHBondContact O-N 2.95Å; A114-G118 PolarHBondContact O-N 3.27Å |
| 115 | L | 89.4 | Confident | 89.3 | Confident | 115 Ų | 115 | 85.6 Ų | 85.6 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 175.5 | -70.2 | 173.3 | 0 | 0 | 0 | 112 | I111 P112 L113 W117 G118 I119 | I111-L115 HydrophobicContact CG2-CD1 4.49Å; I111-L115 WeakPolarHBondContact O-CG 3.33Å; I111-L115 PolarHBondContact O-N 3.45Å; I111-L115 VanDerWaalsContact O-N 3.12Å; P112-L115 PolarHBondContact O-N 2.91Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.39Å; L115-W117 PolarHBondContact O-N 3.28Å; L115-G118 PolarHBondContact O-N 3.49Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.46Å |
| 116 | I | 93 | Very high | 90.1 | Very high | 107 Ų | 107 | 86.9 Ų | 86.9 | 55% | 0.549 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 177.2 | -67.8 | 165.5 | 0 | 0 | 0 | 110.4 | P112 L113 G118 I119 F120 | P112-I116 WeakPolarHBondContact O-CG1 3.44Å; P112-I116 PolarHBondContact O-N 2.97Å; L113-I116 PolarHBondContact O-N 3.44Å; I116-G118 PolarHBondContact O-N 2.95Å; I116-I119 PolarHBondContact O-N 3.37Å; I116-F120 WeakPolarHBondContact O-CB 3.06Å; I116-F120 PolarHBondContact O-N 3.01Å |
| 117 | W | 91.7 | Very high | 90.5 | Very high | 130 Ų | 130 | 87.3 Ų | 87.3 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.8 | -83 | 111.8 | 0 | 0 | 0 | 112.4 | L113 A114 L115 I119 F120 F121 | L113-W117 PolarHBondContact O-N 3.31Å; A114-W117 PolarHBondContact O-N 2.95Å; L115-W117 PolarHBondContact O-N 3.28Å; W117-I119 PolarHBondContact O-N 3.48Å; W117-F120 HydrophobicContact CE3-CD1 4.1Å; W117-F120 HydrophobicContact CZ3-CD1 4.01Å; W117-F120 HydrophobicContact CZ3-CE1 4.25Å; W117-F120 PolarHBondContact O-N 3.45Å; W117-F121 HydrophobicContact CE3-CD2 4.25Å; W117-F121 AromaticContact CE3-CE2 3.64Å; W117-F121 HydrophobicContact CE3-CE2 3.64Å; W117-F121 HydrophobicContact CE3-CZ 4.29Å; W117-F121 HydrophobicContact CZ3-CE2 4.2Å; W117-F121 HydrophobicContact CZ3-CZ 4.4Å; W117-F121 WeakPolarHBondContact O-CD2 3.4Å; W117-F121 PolarHBondContact O-N 2.9Å |
| 118 | G | 93.1 | Very high | 91 | Very high | 42 Ų | 42 | 89.4 Ų | 89.4 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A114 L115 I116 F120 F121 A122 | A114-G118 PolarHBondContact O-N 3.27Å; L115-G118 PolarHBondContact O-N 3.49Å; I116-G118 PolarHBondContact O-N 2.95Å; G118-F120 PolarHBondContact O-N 2.71Å; G118-F121 PolarHBondContact O-N 2.94Å; G118-A122 WeakPolarHBondContact O-CB 3.28Å; G118-A122 PolarHBondContact O-N 2.81Å |
| 119 | I | 93.1 | Very high | 91.4 | Very high | 106 Ų | 106 | 88 Ų | 88 | 54% | 0.544 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.6 | -66.6 | 166.7 | 0 | 0 | 0 | 110.8 | L115 I116 W117 F121 A122 I123 | L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.46Å; I116-I119 PolarHBondContact O-N 3.37Å; W117-I119 PolarHBondContact O-N 3.48Å; I119-F121 PolarHBondContact O-N 3.48Å; I119-A122 WeakPolarHBondContact O-CB 3.36Å; I119-A122 PolarHBondContact O-N 3.37Å; I119-I123 HydrophobicContact CG2-CD1 3.85Å; I119-I123 HydrophobicContact CG2-CG1 4.44Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 2.8Å |
| 120 | F | 93.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 92.6 Ų | 92.6 | 45% | 0.447 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 178.5 | -176.6 | -105.7 | 0 | 0 | 0 | 111.9 | I116 W117 G118 A122 I123 L124 | I116-F120 WeakPolarHBondContact O-CB 3.06Å; I116-F120 PolarHBondContact O-N 3.01Å; W117-F120 HydrophobicContact CE3-CD1 4.1Å; W117-F120 HydrophobicContact CZ3-CD1 4.01Å; W117-F120 HydrophobicContact CZ3-CE1 4.25Å; W117-F120 PolarHBondContact O-N 3.45Å; G118-F120 PolarHBondContact O-N 2.71Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 2.99Å; F120-I123 PolarHBondContact O-N 2.92Å; F120-L124 HydrophobicContact CD1-CD1 3.68Å; F120-L124 HydrophobicContact CD1-CG 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.25Å; F120-L124 HydrophobicContact CE1-CG 4.03Å; F120-L124 HydrophobicContact CZ-CD1 3.74Å; F120-L124 HydrophobicContact CZ-CD2 4.37Å; F120-L124 HydrophobicContact CZ-CG 4.13Å; F120-L124 WeakPolarHBondContact O-CB 3.27Å; F120-L124 WeakPolarHBondContact O-CG 3.35Å; F120-L124 PolarHBondContact O-N 3.34Å |
| 121 | F | 92.2 | Very high | 91.9 | Very high | 117 Ų | 117 | 93.4 Ų | 93.4 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 176.5 | -80.8 | -66.5 | 0 | 0 | 0 | 112.8 | W117 G118 I119 L124 S125 | W117-F121 HydrophobicContact CE3-CD2 4.25Å; W117-F121 AromaticContact CE3-CE2 3.64Å; W117-F121 HydrophobicContact CE3-CE2 3.64Å; W117-F121 HydrophobicContact CE3-CZ 4.29Å; W117-F121 HydrophobicContact CZ3-CE2 4.2Å; W117-F121 HydrophobicContact CZ3-CZ 4.4Å; W117-F121 WeakPolarHBondContact O-CD2 3.4Å; W117-F121 PolarHBondContact O-N 2.9Å; G118-F121 PolarHBondContact O-N 2.94Å; I119-F121 PolarHBondContact O-N 3.48Å; F121-L124 HydrophobicContact CD1-CD1 4.45Å; F121-S125 VanDerWaalsContact O-CB 3.31Å; F121-S125 WeakPolarHBondContact O-CB 3.39Å; F121-S125 PolarHBondContact O-N 3.12Å; F121-S125 PolarHBondContact O-OG 3.49Å |
| 122 | A | 93.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 90.9 Ų | 90.9 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G118 I119 F120 S125 F126 | G118-A122 WeakPolarHBondContact O-CB 3.28Å; G118-A122 PolarHBondContact O-N 2.81Å; I119-A122 WeakPolarHBondContact O-CB 3.36Å; I119-A122 PolarHBondContact O-N 3.37Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 2.99Å; A122-S125 PolarHBondContact O-N 2.97Å; A122-F126 PolarHBondContact O-N 2.75Å |
| 123 | I | 94.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 90.6 Ų | 90.6 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.8 | -65.2 | 168.3 | 0 | 0 | 0 | 110.5 | I119 F120 S125 F126 V127 | I119-I123 HydrophobicContact CG2-CD1 3.85Å; I119-I123 HydrophobicContact CG2-CG1 4.44Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 2.8Å; F120-I123 PolarHBondContact O-N 2.92Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.87Å; I123-F126 WeakPolarHBondContact O-CB 3.46Å; I123-F126 PolarHBondContact O-N 3.46Å; I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 3.21Å |
| 124 | L | 92.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 89.6 Ų | 89.6 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -43 | 175.8 | -78.6 | -179.1 | 0 | 0 | 0 | 111.8 | F120 F121 F126 V127 H128 | F120-L124 HydrophobicContact CD1-CD1 3.68Å; F120-L124 HydrophobicContact CD1-CG 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.25Å; F120-L124 HydrophobicContact CE1-CG 4.03Å; F120-L124 HydrophobicContact CZ-CD1 3.74Å; F120-L124 HydrophobicContact CZ-CD2 4.37Å; F120-L124 HydrophobicContact CZ-CG 4.13Å; F120-L124 WeakPolarHBondContact O-CB 3.27Å; F120-L124 WeakPolarHBondContact O-CG 3.35Å; F120-L124 PolarHBondContact O-N 3.34Å; F121-L124 HydrophobicContact CD1-CD1 4.45Å; L124-F126 VanDerWaalsContact C-N 3.34Å; L124-F126 PolarHBondContact O-N 2.94Å; L124-V127 PolarHBondContact O-N 3.33Å; L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.44Å; L124-H128 PolarHBondContact O-N 3.34Å |
| 125 | S | 94.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 90.6 Ų | 90.6 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | F121 A122 I123 H128 I129 | F121-S125 VanDerWaalsContact O-CB 3.31Å; F121-S125 WeakPolarHBondContact O-CB 3.39Å; F121-S125 PolarHBondContact O-N 3.12Å; F121-S125 PolarHBondContact O-OG 3.49Å; A122-S125 PolarHBondContact O-N 2.97Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.87Å; S125-H128 PolarHBondContact O-N 2.97Å; S125-I129 WeakPolarHBondContact O-CD1 3.27Å; S125-I129 VanDerWaalsContact O-CG1 3.27Å; S125-I129 WeakPolarHBondContact O-CG1 3.37Å; S125-I129 PolarHBondContact O-N 2.94Å |
| 126 | F | 94.3 | Very high | 93 | Very high | 125 Ų | 125 | 88.7 Ų | 88.7 | 55% | 0.548 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 174.5 | -179.9 | -95.1 | 0 | 0 | 0 | 111.5 | A122 I123 L124 H128 I129 W130 | A122-F126 PolarHBondContact O-N 2.75Å; I123-F126 WeakPolarHBondContact O-CB 3.46Å; I123-F126 PolarHBondContact O-N 3.46Å; L124-F126 VanDerWaalsContact C-N 3.34Å; L124-F126 PolarHBondContact O-N 2.94Å; F126-H128 VanDerWaalsContact C-N 3.28Å; F126-H128 PolarHBondContact O-N 3.39Å; F126-I129 PolarHBondContact O-N 2.89Å; F126-W130 AromaticContact CD2-CD1 3.23Å; F126-W130 HydrophobicContact CD2-CG 4.17Å; F126-W130 AromaticContact CD2-NE1 3.5Å; F126-W130 HydrophobicContact CE1-CB 4.5Å; F126-W130 AromaticContact CE2-CD1 3.26Å; F126-W130 HydrophobicContact CE2-CD2 4.33Å; F126-W130 AromaticContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CE2-CG 3.85Å; F126-W130 AromaticContact CE2-NE1 3.43Å; F126-W130 AromaticContact CG-CD1 3.82Å; F126-W130 HydrophobicContact CZ-CB 4.38Å; F126-W130 AromaticContact CZ-CD1 3.88Å; F126-W130 HydrophobicContact CZ-CG 4.07Å; F126-W130 WeakPolarHBondContact O-CB 3.48Å; F126-W130 PolarHBondContact O-N 2.94Å |
| 127 | V | 94.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 90 Ų | 90 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I123 L124 A131 V132 | I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 3.21Å; L124-V127 PolarHBondContact O-N 3.33Å; V127-A131 HydrophobicContact CG1-CB 4.24Å; V127-A131 WeakPolarHBondContact O-CA 3.36Å; V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 3.2Å; V127-A131 PolarHBondContact O-N 3.2Å; V127-V132 HydrophobicContact CG1-CG2 4.42Å; V127-V132 PolarHBondContact O-N 3.24Å |
| 128 | H | 92.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 86.6 Ų | 86.6 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -60.6 | -50.3 | 178.4 | 179.9 | -94.7 | 0 | 0 | 0 | 111.7 | L124 S125 F126 V132 V133 | L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.44Å; L124-H128 PolarHBondContact O-N 3.34Å; S125-H128 PolarHBondContact O-N 2.97Å; F126-H128 VanDerWaalsContact C-N 3.28Å; F126-H128 PolarHBondContact O-N 3.39Å; H128-V132 WeakPolarHBondContact O-CB 3.31Å; H128-V132 PolarHBondContact O-N 3.14Å; H128-V133 WeakPolarHBondContact O-CG2 3.35Å; H128-V133 PolarHBondContact O-N 3.47Å |
| 129 | I | 93.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 92 Ų | 92 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -69.8 | -44.2 | -176.9 | -64.4 | 160.5 | 0 | 0 | 0 | 111.4 | S125 F126 P134 | S125-I129 WeakPolarHBondContact O-CD1 3.27Å; S125-I129 VanDerWaalsContact O-CG1 3.27Å; S125-I129 WeakPolarHBondContact O-CG1 3.37Å; S125-I129 PolarHBondContact O-N 2.94Å; F126-I129 PolarHBondContact O-N 2.89Å; I129-P134 WeakPolarHBondContact O-CD 3.4Å |
| 130 | W | 93.6 | Very high | 92.7 | Very high | 178 Ų | 178 | 91.6 Ų | 91.6 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | I | π-helix | trans | -93.4 | -23.7 | -169.1 | -67.3 | 97 | 0 | 0 | 0 | 114.5 | F126 P134 | F126-W130 AromaticContact CD2-CD1 3.23Å; F126-W130 HydrophobicContact CD2-CG 4.17Å; F126-W130 AromaticContact CD2-NE1 3.5Å; F126-W130 HydrophobicContact CE1-CB 4.5Å; F126-W130 AromaticContact CE2-CD1 3.26Å; F126-W130 HydrophobicContact CE2-CD2 4.33Å; F126-W130 AromaticContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CE2-CG 3.85Å; F126-W130 AromaticContact CE2-NE1 3.43Å; F126-W130 AromaticContact CG-CD1 3.82Å; F126-W130 HydrophobicContact CZ-CB 4.38Å; F126-W130 AromaticContact CZ-CD1 3.88Å; F126-W130 HydrophobicContact CZ-CG 4.07Å; F126-W130 WeakPolarHBondContact O-CB 3.48Å; F126-W130 PolarHBondContact O-N 2.94Å; W130-P134 WeakPolarHBondContact O-CG 3.09Å |
| 131 | A | 91.6 | Very high | 92.5 | Very high | 44 Ų | 44 | 92.8 Ų | 92.8 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -114.8 | -54 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V127 P134 C135 | V127-A131 HydrophobicContact CG1-CB 4.24Å; V127-A131 WeakPolarHBondContact O-CA 3.36Å; V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 3.2Å; V127-A131 PolarHBondContact O-N 3.2Å; A131-P134 VanDerWaalsContact O-CD 3.28Å; A131-P134 WeakPolarHBondContact O-CD 3.47Å; A131-P134 WeakPolarHBondContact O-CG 3.34Å; A131-C135 WeakPolarHBondContact O-CB 3.14Å; A131-C135 PolarHBondContact O-N 3.41Å; A131-C135 PolarHBondContact O-SG 3.02Å |
| 132 | V | 93.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 92.5 Ų | 92.5 | 37% | 0.37 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -66 | -49 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | V127 H128 C135 V136 | V127-V132 HydrophobicContact CG1-CG2 4.42Å; V127-V132 PolarHBondContact O-N 3.24Å; H128-V132 WeakPolarHBondContact O-CB 3.31Å; H128-V132 PolarHBondContact O-N 3.14Å; V132-C135 PolarHBondContact O-N 3.47Å; V132-V136 HydrophobicContact CG1-CG2 3.97Å; V132-V136 WeakPolarHBondContact O-CB 3.25Å; V132-V136 VanDerWaalsContact O-CG2 3.24Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 2.96Å |
| 133 | V | 93.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 91.7 Ų | 91.7 | 34% | 0.339 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 179.7 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | H128 V136 K137 | H128-V133 WeakPolarHBondContact O-CG2 3.35Å; H128-V133 PolarHBondContact O-N 3.47Å; V133-V136 PolarHBondContact O-N 3.25Å; V133-K137 HydrophobicContact CG1-CG 4.41Å; V133-K137 WeakPolarHBondContact O-CB 3.45Å; V133-K137 WeakPolarHBondContact O-CG 3.36Å; V133-K137 PolarHBondContact O-N 2.83Å |
| 134 | P | 92.6 | Very high | 92 | Very high | 63 Ų | 63 | 92.2 Ų | 92.2 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 176.2 | 20 | -27.9 | 0 | 0 | 0 | 113 | I129 W130 A131 K137 S138 | I129-P134 WeakPolarHBondContact O-CD 3.4Å; W130-P134 WeakPolarHBondContact O-CG 3.09Å; A131-P134 VanDerWaalsContact O-CD 3.28Å; A131-P134 WeakPolarHBondContact O-CD 3.47Å; A131-P134 WeakPolarHBondContact O-CG 3.34Å; P134-K137 PolarHBondContact O-N 2.91Å; P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 3.04Å |
| 135 | C | 90.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 92.1 Ų | 92.1 | 57% | 0.568 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | 174.3 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | A131 V132 S138 Y139 | A131-C135 WeakPolarHBondContact O-CB 3.14Å; A131-C135 PolarHBondContact O-N 3.41Å; A131-C135 PolarHBondContact O-SG 3.02Å; V132-C135 PolarHBondContact O-N 3.47Å; C135-S138 WeakPolarHBondContact O-CB 3.24Å; C135-S138 PolarHBondContact O-N 3.39Å; C135-Y139 WeakPolarHBondContact O-CB 3.12Å; C135-Y139 PolarHBondContact O-N 2.96Å |
| 136 | V | 92.5 | Very high | 91.5 | Very high | 76 Ų | 76 | 94.5 Ų | 94.5 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | V132 V133 S138 Y139 L140 | V132-V136 HydrophobicContact CG1-CG2 3.97Å; V132-V136 WeakPolarHBondContact O-CB 3.25Å; V132-V136 VanDerWaalsContact O-CG2 3.24Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 2.96Å; V133-V136 PolarHBondContact O-N 3.25Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 2.87Å; V136-Y139 PolarHBondContact O-N 3.44Å; V136-L140 HydrophobicContact CG1-CD1 4.15Å; V136-L140 WeakPolarHBondContact O-CB 3.22Å; V136-L140 VanDerWaalsContact O-CG 3.3Å; V136-L140 WeakPolarHBondContact O-CG 3.48Å; V136-L140 PolarHBondContact O-N 3.33Å |
| 137 | K | 90.8 | Very high | 91.3 | Very high | 133 Ų | 133 | 92 Ų | 92 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 175.3 | -69.4 | -81.1 | -177.2 | 69.6 | 0 | 111.6 | V133 P134 L140 I141 | V133-K137 HydrophobicContact CG1-CG 4.41Å; V133-K137 WeakPolarHBondContact O-CB 3.45Å; V133-K137 WeakPolarHBondContact O-CG 3.36Å; V133-K137 PolarHBondContact O-N 2.83Å; P134-K137 PolarHBondContact O-N 2.91Å; K137-L140 PolarHBondContact O-N 3.17Å; K137-I141 WeakPolarHBondContact O-CG1 3.29Å; K137-I141 PolarHBondContact O-N 3.43Å |
| 138 | S | 90.5 | Very high | 91.1 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.6 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | P134 C135 V136 L140 I141 E142 | P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 3.04Å; C135-S138 WeakPolarHBondContact O-CB 3.24Å; C135-S138 PolarHBondContact O-N 3.39Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 2.87Å; S138-L140 VanDerWaalsContact C-N 3.27Å; S138-L140 PolarHBondContact O-N 3.1Å; S138-I141 WeakPolarHBondContact O-CB 3.14Å; S138-I141 PolarHBondContact O-N 2.9Å; S138-E142 PolarHBondContact O-N 3.46Å |
| 139 | Y | 91.8 | Very high | 91 | Very high | 154 Ų | 154 | 96.2 Ų | 96.2 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -36.1 | 177.5 | -175.8 | -103.4 | 0 | 0 | 0 | 112 | C135 V136 I141 E142 T143 | C135-Y139 WeakPolarHBondContact O-CB 3.12Å; C135-Y139 PolarHBondContact O-N 2.96Å; V136-Y139 PolarHBondContact O-N 3.44Å; Y139-I141 VanDerWaalsContact C-N 3.33Å; Y139-I141 PolarHBondContact O-N 3.21Å; Y139-E142 PolarHBondContact O-N 3.01Å; Y139-T143 HydrophobicContact CD1-CG2 3.96Å; Y139-T143 HydrophobicContact CD2-CG2 4.43Å; Y139-T143 HydrophobicContact CE1-CG2 3.49Å; Y139-T143 VanDerWaalsContact CE1-CG2 3.49Å; Y139-T143 HydrophobicContact CE2-CG2 4.01Å; Y139-T143 HydrophobicContact CG-CG2 4.41Å; Y139-T143 WeakPolarHBondContact O-CB 3.38Å; Y139-T143 WeakPolarHBondContact O-CG2 3.31Å; Y139-T143 PolarHBondContact O-N 2.85Å; Y139-T143 PolarHBondContact O-OG1 2.95Å |
| 140 | L | 90.5 | Very high | 90.9 | Very high | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 173.1 | -76 | 170.1 | 0 | 0 | 0 | 112.3 | V136 K137 S138 T143 H144 | V136-L140 HydrophobicContact CG1-CD1 4.15Å; V136-L140 WeakPolarHBondContact O-CB 3.22Å; V136-L140 VanDerWaalsContact O-CG 3.3Å; V136-L140 WeakPolarHBondContact O-CG 3.48Å; V136-L140 PolarHBondContact O-N 3.33Å; K137-L140 PolarHBondContact O-N 3.17Å; S138-L140 VanDerWaalsContact C-N 3.27Å; S138-L140 PolarHBondContact O-N 3.1Å; L140-T143 VanDerWaalsContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-OG1 3.38Å; L140-T143 VanDerWaalsContact O-OG1 3.06Å; L140-H144 VanDerWaalsContact O-CB 3.23Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.2Å |
| 141 | I | 91.4 | Very high | 90.7 | Very high | 126 Ų | 126 | 93 Ų | 93 | 65% | 0.646 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.7 | -43.9 | 175.8 | -64.8 | 164.6 | 0 | 0 | 0 | 110.5 | K137 S138 Y139 H144 C145 | K137-I141 WeakPolarHBondContact O-CG1 3.29Å; K137-I141 PolarHBondContact O-N 3.43Å; S138-I141 WeakPolarHBondContact O-CB 3.14Å; S138-I141 PolarHBondContact O-N 2.9Å; Y139-I141 VanDerWaalsContact C-N 3.33Å; Y139-I141 PolarHBondContact O-N 3.21Å; I141-H144 PolarHBondContact O-N 2.56Å; I141-C145 PolarHBondContact O-N 3.03Å |
| 142 | E | 90.7 | Very high | 90.7 | Very high | 112 Ų | 112 | 96.1 Ų | 96.1 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.9 | -71.7 | -177.5 | 175.6 | 0 | 0 | 112.1 | S138 Y139 H144 C145 I146 | S138-E142 PolarHBondContact O-N 3.46Å; Y139-E142 PolarHBondContact O-N 3.01Å; E142-H144 VanDerWaalsContact C-N 3.3Å; E142-H144 PolarHBondContact O-N 3.44Å; E142-C145 WeakPolarHBondContact O-CA 3.4Å; E142-C145 VanDerWaalsContact O-CB 3.31Å; E142-C145 WeakPolarHBondContact O-CB 3.4Å; E142-C145 PolarHBondContact O-N 2.81Å; E142-C145 VanDerWaalsContact O-N 3.1Å; E142-I146 WeakPolarHBondContact O-CG1 3.21Å; E142-I146 PolarHBondContact O-N 2.7Å |
| 143 | T | 88.4 | Confident | 90.6 | Very high | 42 Ų | 42 | 98.4 Ų | 98.4 | 26% | 0.258 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 177.4 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | Y139 L140 C145 I146 S147 | Y139-T143 HydrophobicContact CD1-CG2 3.96Å; Y139-T143 HydrophobicContact CD2-CG2 4.43Å; Y139-T143 HydrophobicContact CE1-CG2 3.49Å; Y139-T143 VanDerWaalsContact CE1-CG2 3.49Å; Y139-T143 HydrophobicContact CE2-CG2 4.01Å; Y139-T143 HydrophobicContact CG-CG2 4.41Å; Y139-T143 WeakPolarHBondContact O-CB 3.38Å; Y139-T143 WeakPolarHBondContact O-CG2 3.31Å; Y139-T143 PolarHBondContact O-N 2.85Å; Y139-T143 PolarHBondContact O-OG1 2.95Å; L140-T143 VanDerWaalsContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-OG1 3.38Å; L140-T143 VanDerWaalsContact O-OG1 3.06Å; T143-C145 VanDerWaalsContact C-N 3.31Å; T143-C145 PolarHBondContact O-N 2.67Å; T143-I146 PolarHBondContact O-N 2.91Å; T143-S147 WeakPolarHBondContact O-CB 3.19Å; T143-S147 PolarHBondContact O-N 3.44Å |
| 144 | H | 90.6 | Very high | 90.5 | Very high | 113 Ų | 113 | 97.7 Ų | 97.7 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 174 | -162.2 | -74.1 | 0 | 0 | 0 | 112.2 | L140 I141 E142 R148 | L140-H144 VanDerWaalsContact O-CB 3.23Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.2Å; I141-H144 PolarHBondContact O-N 2.56Å; E142-H144 VanDerWaalsContact C-N 3.3Å; E142-H144 PolarHBondContact O-N 3.44Å; H144-R148 WeakPolarHBondContact O-CG 3.28Å; H144-R148 PolarHBondContact O-N 2.91Å |
| 145 | C | 85.4 | Confident | 90.4 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 52% | 0.52 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -48.5 | 171.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | I141 E142 T143 S147 R148 V149 | I141-C145 PolarHBondContact O-N 3.03Å; E142-C145 WeakPolarHBondContact O-CA 3.4Å; E142-C145 VanDerWaalsContact O-CB 3.31Å; E142-C145 WeakPolarHBondContact O-CB 3.4Å; E142-C145 PolarHBondContact O-N 2.81Å; E142-C145 VanDerWaalsContact O-N 3.1Å; T143-C145 VanDerWaalsContact C-N 3.31Å; T143-C145 PolarHBondContact O-N 2.67Å; C145-S147 VanDerWaalsContact C-N 3.27Å; C145-S147 PolarHBondContact O-N 3.24Å; C145-R148 WeakPolarHBondContact O-CB 2.85Å; C145-R148 PolarHBondContact O-N 3.07Å; C145-R148 VanDerWaalsContact O-N 3.08Å; C145-V149 PolarHBondContact O-N 2.67Å; C145-V149 VanDerWaalsContact O-N 3.1Å |
| 146 | I | 90.3 | Very high | 90.3 | Very high | 111 Ų | 111 | 100 Ų | 100 | 57% | 0.569 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 176.4 | -67.3 | 165.6 | 0 | 0 | 0 | 110.6 | E142 T143 R148 V149 Y150 | E142-I146 WeakPolarHBondContact O-CG1 3.21Å; E142-I146 PolarHBondContact O-N 2.7Å; T143-I146 PolarHBondContact O-N 2.91Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.05Å; I146-V149 PolarHBondContact O-N 2.94Å; I146-Y150 VanDerWaalsContact O-CB 3.24Å; I146-Y150 WeakPolarHBondContact O-CB 3.25Å; I146-Y150 PolarHBondContact O-N 2.96Å |
| 147 | S | 89.9 | Confident | 90.1 | Very high | 73 Ų | 73 | 101.6 Ų | 101.6 | 51% | 0.51 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 177.4 | -178 | 0 | 0 | 0 | 0 | 112.8 | T143 C145 S151 | T143-S147 WeakPolarHBondContact O-CB 3.19Å; T143-S147 PolarHBondContact O-N 3.44Å; C145-S147 VanDerWaalsContact C-N 3.27Å; C145-S147 PolarHBondContact O-N 3.24Å; S147-S151 WeakPolarHBondContact O-CB 3.19Å; S147-S151 PolarHBondContact O-N 3.32Å |
| 148 | R | 90 | Very high | 89.8 | Confident | 167 Ų | 167 | 96.9 Ų | 96.9 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -47.5 | 175.7 | -71.3 | -93.3 | -177.6 | 85.8 | -2.1 | 111.1 | H144 C145 I146 Y150 S151 I152 | H144-R148 WeakPolarHBondContact O-CG 3.28Å; H144-R148 PolarHBondContact O-N 2.91Å; C145-R148 WeakPolarHBondContact O-CB 2.85Å; C145-R148 PolarHBondContact O-N 3.07Å; C145-R148 VanDerWaalsContact O-N 3.08Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.05Å; R148-Y150 VanDerWaalsContact C-N 3.32Å; R148-Y150 PolarHBondContact O-N 2.86Å; R148-S151 PolarHBondContact O-N 3.49Å; R148-I152 WeakPolarHBondContact O-CG1 3.31Å; R148-I152 PolarHBondContact O-N 2.69Å |
| 149 | V | 90.6 | Very high | 89.6 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | C145 I146 S151 I152 F153 | C145-V149 PolarHBondContact O-N 2.67Å; C145-V149 VanDerWaalsContact O-N 3.1Å; I146-V149 PolarHBondContact O-N 2.94Å; V149-S151 PolarHBondContact O-N 3.09Å; V149-I152 PolarHBondContact O-N 3.41Å; V149-F153 WeakPolarHBondContact O-CB 3.42Å; V149-F153 PolarHBondContact O-N 2.74Å |
| 150 | Y | 90.7 | Very high | 89.4 | Confident | 158 Ų | 158 | 93.2 Ų | 93.2 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | 175.9 | -179.9 | -101.7 | 0 | 0 | 0 | 111.8 | I146 R148 I152 F153 V154 | I146-Y150 VanDerWaalsContact O-CB 3.24Å; I146-Y150 WeakPolarHBondContact O-CB 3.25Å; I146-Y150 PolarHBondContact O-N 2.96Å; R148-Y150 VanDerWaalsContact C-N 3.32Å; R148-Y150 PolarHBondContact O-N 2.86Å; Y150-I152 PolarHBondContact O-N 2.98Å; Y150-F153 WeakPolarHBondContact O-CB 3.41Å; Y150-F153 PolarHBondContact O-N 3.34Å; Y150-V154 HydrophobicContact CD1-CG2 4.28Å; Y150-V154 HydrophobicContact CE1-CG2 3.87Å; Y150-V154 HydrophobicContact CE2-CG2 4.2Å; Y150-V154 WeakPolarHBondContact O-CG2 3.18Å; Y150-V154 PolarHBondContact O-N 3.01Å |
| 151 | S | 89.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 93.5 Ų | 93.5 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | S147 R148 V149 F153 V154 H155 | S147-S151 WeakPolarHBondContact O-CB 3.19Å; S147-S151 PolarHBondContact O-N 3.32Å; R148-S151 PolarHBondContact O-N 3.49Å; V149-S151 PolarHBondContact O-N 3.09Å; S151-F153 VanDerWaalsContact C-N 3.35Å; S151-F153 PolarHBondContact O-N 2.92Å; S151-V154 PolarHBondContact O-N 3.39Å; S151-H155 PolarHBondContact O-CD2 3.44Å; S151-H155 PolarHBondContact O-N 3.39Å |
| 152 | I | 91.5 | Very high | 89 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 55% | 0.554 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 175.5 | -65.5 | 164 | 0 | 0 | 0 | 110.8 | R148 V149 Y150 V154 H155 T156 | R148-I152 WeakPolarHBondContact O-CG1 3.31Å; R148-I152 PolarHBondContact O-N 2.69Å; V149-I152 PolarHBondContact O-N 3.41Å; Y150-I152 PolarHBondContact O-N 2.98Å; I152-V154 PolarHBondContact O-N 2.87Å; I152-H155 PolarHBondContact O-N 2.95Å; I152-T156 WeakPolarHBondContact O-CB 3.23Å; I152-T156 PolarHBondContact O-N 3.44Å; I152-T156 PolarHBondContact O-OG1 2.92Å |
| 153 | F | 91.2 | Very high | 88.8 | Confident | 110 Ų | 110 | 93.9 Ų | 93.9 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.7 | -176.2 | -92.8 | 0 | 0 | 0 | 111.4 | V149 Y150 S151 H155 T156 F157 | V149-F153 WeakPolarHBondContact O-CB 3.42Å; V149-F153 PolarHBondContact O-N 2.74Å; Y150-F153 WeakPolarHBondContact O-CB 3.41Å; Y150-F153 PolarHBondContact O-N 3.34Å; S151-F153 VanDerWaalsContact C-N 3.35Å; S151-F153 PolarHBondContact O-N 2.92Å; F153-H155 PolarHBondContact O-N 3.22Å; F153-T156 PolarHBondContact O-N 3.39Å; F153-F157 HydrophobicContact CD1-CD2 4.47Å; F153-F157 AromaticContact CD2-CD2 3.51Å; F153-F157 HydrophobicContact CD2-CD2 3.51Å; F153-F157 AromaticContact CD2-CE2 3.67Å; F153-F157 HydrophobicContact CD2-CE2 3.67Å; F153-F157 HydrophobicContact CE1-CB 4.5Å; F153-F157 HydrophobicContact CE1-CD2 4.42Å; F153-F157 AromaticContact CE2-CD2 3.45Å; F153-F157 HydrophobicContact CE2-CD2 3.45Å; F153-F157 VanDerWaalsContact CE2-CD2 3.45Å; F153-F157 AromaticContact CE2-CE2 3.55Å; F153-F157 HydrophobicContact CE2-CE2 3.55Å; F153-F157 HydrophobicContact CE2-CG 4.13Å; F153-F157 HydrophobicContact CE2-CZ 4.31Å; F153-F157 HydrophobicContact CG-CD2 4.05Å; F153-F157 HydrophobicContact CZ-CB 4.49Å; F153-F157 AromaticContact CZ-CD2 3.93Å; F153-F157 HydrophobicContact CZ-CD2 3.93Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 HydrophobicContact CZ-CG 4.19Å; F153-F157 WeakPolarHBondContact O-CB 3.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.32Å; F153-F157 PolarHBondContact O-N 3.29Å |
| 154 | V | 91.1 | Very high | 88.7 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 24% | 0.242 | 49% | 0.487 | C | S | . | . | I | π-helix | trans | -59.7 | -47.8 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | Y150 S151 I152 T156 C158 D159 | Y150-V154 HydrophobicContact CD1-CG2 4.28Å; Y150-V154 HydrophobicContact CE1-CG2 3.87Å; Y150-V154 HydrophobicContact CE2-CG2 4.2Å; Y150-V154 WeakPolarHBondContact O-CG2 3.18Å; Y150-V154 PolarHBondContact O-N 3.01Å; S151-V154 PolarHBondContact O-N 3.39Å; I152-V154 PolarHBondContact O-N 2.87Å; V154-T156 VanDerWaalsContact C-N 3.3Å; V154-T156 PolarHBondContact O-N 2.79Å; V154-C158 HydrophobicContact CG1-CB 3.93Å; V154-C158 VanDerWaalsContact O-CA 3.32Å; V154-C158 WeakPolarHBondContact O-CA 3.39Å; V154-C158 WeakPolarHBondContact O-CB 3.49Å; V154-C158 PolarHBondContact O-N 2.95Å; V154-D159 PolarHBondContact O-N 3.19Å; V154-D159 VanDerWaalsContact O-N 3.07Å |
| 155 | H | 90.5 | Very high | 88.6 | Confident | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -64.9 | -31.9 | 178.3 | -79 | -58.7 | 0 | 0 | 0 | 113.8 | S151 I152 F153 D159 | S151-H155 PolarHBondContact O-CD2 3.44Å; S151-H155 PolarHBondContact O-N 3.39Å; I152-H155 PolarHBondContact O-N 2.95Å; F153-H155 PolarHBondContact O-N 3.22Å; H155-D159 IonicContact CE1-OD2 3.65Å; H155-D159 IonicContact CG-OD2 3.63Å; H155-D159 IonicContact ND1-OD1 3.97Å; H155-D159 IonicContact ND1-OD2 2.69Å; H155-D159 PolarHBondContact ND1-OD2 2.81Å; H155-D159 WeakPolarHBondContact O-CB 3.45Å |
| 156 | T | 89.3 | Confident | 88.7 | Confident | 86 Ų | 86 | 91.2 Ų | 91.2 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -84.8 | -31.3 | -176.1 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | I152 F153 V154 P160 | I152-T156 WeakPolarHBondContact O-CB 3.23Å; I152-T156 PolarHBondContact O-N 3.44Å; I152-T156 PolarHBondContact O-OG1 2.92Å; F153-T156 PolarHBondContact O-N 3.39Å; V154-T156 VanDerWaalsContact C-N 3.3Å; V154-T156 PolarHBondContact O-N 2.79Å; T156-P160 WeakPolarHBondContact O-CG 3.5Å |
| 157 | F | 86.5 | Confident | 88.3 | Confident | 110 Ų | 110 | 92 Ų | 92 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -110.7 | -51.2 | -175.2 | -71.8 | -84.9 | 0 | 0 | 0 | 112.6 | F153 P160 L161 | F153-F157 HydrophobicContact CD1-CD2 4.47Å; F153-F157 AromaticContact CD2-CD2 3.51Å; F153-F157 HydrophobicContact CD2-CD2 3.51Å; F153-F157 AromaticContact CD2-CE2 3.67Å; F153-F157 HydrophobicContact CD2-CE2 3.67Å; F153-F157 HydrophobicContact CE1-CB 4.5Å; F153-F157 HydrophobicContact CE1-CD2 4.42Å; F153-F157 AromaticContact CE2-CD2 3.45Å; F153-F157 HydrophobicContact CE2-CD2 3.45Å; F153-F157 VanDerWaalsContact CE2-CD2 3.45Å; F153-F157 AromaticContact CE2-CE2 3.55Å; F153-F157 HydrophobicContact CE2-CE2 3.55Å; F153-F157 HydrophobicContact CE2-CG 4.13Å; F153-F157 HydrophobicContact CE2-CZ 4.31Å; F153-F157 HydrophobicContact CG-CD2 4.05Å; F153-F157 HydrophobicContact CZ-CB 4.49Å; F153-F157 AromaticContact CZ-CD2 3.93Å; F153-F157 HydrophobicContact CZ-CD2 3.93Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 HydrophobicContact CZ-CG 4.19Å; F153-F157 WeakPolarHBondContact O-CB 3.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.32Å; F153-F157 PolarHBondContact O-N 3.29Å; F157-P160 WeakPolarHBondContact O-CD 3.26Å; F157-P160 WeakPolarHBondContact O-CG 3.38Å; F157-L161 VanDerWaalsContact O-CB 3.3Å; F157-L161 WeakPolarHBondContact O-CB 3.19Å; F157-L161 WeakPolarHBondContact O-CD1 3.36Å; F157-L161 WeakPolarHBondContact O-CG 3.49Å; F157-L161 PolarHBondContact O-N 3.26Å |
| 158 | C | 84.4 | Confident | 88 | Confident | 33 Ų | 33 | 93.1 Ų | 93.1 | 22% | 0.223 | 48% | 0.483 | C | S | . | . | I | π-helix | trans | -71.9 | -44.3 | -174.5 | -61.1 | 0 | 0 | 0 | 0 | 111 | V154 L161 F162 | V154-C158 HydrophobicContact CG1-CB 3.93Å; V154-C158 VanDerWaalsContact O-CA 3.32Å; V154-C158 WeakPolarHBondContact O-CA 3.39Å; V154-C158 WeakPolarHBondContact O-CB 3.49Å; V154-C158 PolarHBondContact O-N 2.95Å; C158-L161 PolarHBondContact O-N 2.9Å; C158-F162 HydrophobicContact CB-CD2 3.86Å; C158-F162 HydrophobicContact CB-CE2 3.78Å; C158-F162 WeakPolarHBondContact O-CB 3.37Å; C158-F162 WeakPolarHBondContact O-CD2 3.49Å; C158-F162 WeakPolarHBondContact O-CG 3.44Å; C158-F162 PolarHBondContact O-N 3.43Å |
| 159 | D | 86.2 | Confident | 87.5 | Confident | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57 | -52.8 | 179.3 | -71.1 | 0 | 0 | 0 | 0 | 113 | V154 H155 L161 F162 E163 | V154-D159 PolarHBondContact O-N 3.19Å; V154-D159 VanDerWaalsContact O-N 3.07Å; H155-D159 IonicContact CE1-OD2 3.65Å; H155-D159 IonicContact CG-OD2 3.63Å; H155-D159 IonicContact ND1-OD1 3.97Å; H155-D159 IonicContact ND1-OD2 2.69Å; H155-D159 PolarHBondContact ND1-OD2 2.81Å; H155-D159 WeakPolarHBondContact O-CB 3.45Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 3.24Å; D159-F162 PolarHBondContact O-N 3.02Å; D159-E163 VanDerWaalsContact O-CB 3.23Å; D159-E163 WeakPolarHBondContact O-CB 3.2Å; D159-E163 PolarHBondContact O-N 2.78Å |
| 160 | P | 89 | Confident | 86.9 | Confident | 67 Ų | 67 | 91.7 Ų | 91.7 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -31.7 | 178.1 | 23.4 | -32 | 0 | 0 | 0 | 112.9 | T156 F157 A164 | T156-P160 WeakPolarHBondContact O-CG 3.5Å; F157-P160 WeakPolarHBondContact O-CD 3.26Å; F157-P160 WeakPolarHBondContact O-CG 3.38Å; P160-A164 WeakPolarHBondContact O-CB 3.39Å; P160-A164 PolarHBondContact O-N 3.05Å |
| 161 | L | 85.8 | Confident | 85.9 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 174.4 | -80.2 | 170.6 | 0 | 0 | 0 | 111.7 | F157 C158 D159 E163 A164 M165 | F157-L161 VanDerWaalsContact O-CB 3.3Å; F157-L161 WeakPolarHBondContact O-CB 3.19Å; F157-L161 WeakPolarHBondContact O-CD1 3.36Å; F157-L161 WeakPolarHBondContact O-CG 3.49Å; F157-L161 PolarHBondContact O-N 3.26Å; C158-L161 PolarHBondContact O-N 2.9Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 3.24Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-A164 PolarHBondContact O-N 3.02Å; L161-M165 WeakPolarHBondContact O-CB 3.37Å; L161-M165 VanDerWaalsContact O-CG 3.32Å; L161-M165 WeakPolarHBondContact O-CG 2.98Å; L161-M165 PolarHBondContact O-N 3.34Å |
| 162 | F | 86.7 | Confident | 85.1 | Confident | 134 Ų | 134 | 93.9 Ų | 93.9 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -35.6 | 178.1 | -74.4 | -62.1 | 0 | 0 | 0 | 111.5 | C158 D159 M165 G166 | C158-F162 HydrophobicContact CB-CD2 3.86Å; C158-F162 HydrophobicContact CB-CE2 3.78Å; C158-F162 WeakPolarHBondContact O-CB 3.37Å; C158-F162 WeakPolarHBondContact O-CD2 3.49Å; C158-F162 WeakPolarHBondContact O-CG 3.44Å; C158-F162 PolarHBondContact O-N 3.43Å; D159-F162 PolarHBondContact O-N 3.02Å; F162-M165 HydrophobicContact CD1-CE 3.31Å; F162-M165 HydrophobicContact CE1-CE 3.57Å; F162-M165 HydrophobicContact CG-CE 4.08Å; F162-G166 PolarHBondContact O-N 3.3Å |
| 163 | E | 87.6 | Confident | 84.1 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 173 | -167.8 | -175.5 | 153.3 | 0 | 0 | 111.6 | D159 L161 G166 K167 | D159-E163 VanDerWaalsContact O-CB 3.23Å; D159-E163 WeakPolarHBondContact O-CB 3.2Å; D159-E163 PolarHBondContact O-N 2.78Å; L161-E163 VanDerWaalsContact C-N 3.34Å; E163-G166 PolarHBondContact O-N 2.93Å; E163-K167 WeakPolarHBondContact O-CG 3.46Å; E163-K167 PolarHBondContact O-N 2.98Å; E163-K167 IonicContact OE1-NZ 2.65Å; E163-K167 PolarHBondContact OE1-NZ 3.43Å |
| 164 | A | 86.8 | Confident | 83.2 | Confident | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P160 L161 G166 K167 C168 | P160-A164 WeakPolarHBondContact O-CB 3.39Å; P160-A164 PolarHBondContact O-N 3.05Å; L161-A164 PolarHBondContact O-N 3.02Å; A164-G166 VanDerWaalsContact C-N 3.33Å; A164-G166 PolarHBondContact O-N 3.43Å; A164-K167 WeakPolarHBondContact O-CB 3.5Å; A164-K167 PolarHBondContact O-N 3.42Å; A164-C168 PolarHBondContact O-N 3.38Å; A164-C168 PolarHBondContact O-SG 3.22Å |
| 165 | M | 87.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -43.4 | 174.5 | -73.2 | -170.7 | -68.8 | 0 | 0 | 111.4 | L161 F162 K167 C168 F169 | L161-M165 WeakPolarHBondContact O-CB 3.37Å; L161-M165 VanDerWaalsContact O-CG 3.32Å; L161-M165 WeakPolarHBondContact O-CG 2.98Å; L161-M165 PolarHBondContact O-N 3.34Å; F162-M165 HydrophobicContact CD1-CE 3.31Å; F162-M165 HydrophobicContact CE1-CE 3.57Å; F162-M165 HydrophobicContact CG-CE 4.08Å; M165-K167 VanDerWaalsContact C-N 3.3Å; M165-K167 PolarHBondContact O-N 3.13Å; M165-C168 WeakPolarHBondContact O-CB 3.44Å; M165-C168 PolarHBondContact O-N 3.42Å; M165-C168 VanDerWaalsContact O-N 3.13Å; M165-F169 WeakPolarHBondContact O-CD2 3.14Å; M165-F169 PolarHBondContact O-N 3.33Å |
| 166 | G | 86.9 | Confident | 81.2 | Confident | 41 Ų | 41 | 109.3 Ų | 109.3 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.9 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F162 E163 A164 F169 S170 | F162-G166 PolarHBondContact O-N 3.3Å; E163-G166 PolarHBondContact O-N 2.93Å; A164-G166 VanDerWaalsContact C-N 3.33Å; A164-G166 PolarHBondContact O-N 3.43Å; G166-F169 PolarHBondContact O-N 3.18Å; G166-S170 VanDerWaalsContact O-CB 3.32Å; G166-S170 WeakPolarHBondContact O-CB 3.22Å; G166-S170 PolarHBondContact O-N 3.07Å |
| 167 | K | 83.2 | Confident | 80 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.9 | -35.7 | 173.8 | -78 | 171 | 173 | 152.4 | 0 | 113.2 | E163 A164 M165 F169 S170 | E163-K167 WeakPolarHBondContact O-CG 3.46Å; E163-K167 PolarHBondContact O-N 2.98Å; E163-K167 IonicContact OE1-NZ 2.65Å; E163-K167 PolarHBondContact OE1-NZ 3.43Å; A164-K167 WeakPolarHBondContact O-CB 3.5Å; A164-K167 PolarHBondContact O-N 3.42Å; M165-K167 VanDerWaalsContact C-N 3.3Å; M165-K167 PolarHBondContact O-N 3.13Å; K167-F169 VanDerWaalsContact C-N 3.32Å; K167-F169 PolarHBondContact O-N 3.33Å; K167-S170 PolarHBondContact O-N 3.41Å; K167-S170 PolarHBondContact O-OG 3.15Å; K167-S170 VanDerWaalsContact O-OG 3.1Å |
| 168 | C | 83.3 | Confident | 78.8 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63 | -39.8 | 173.6 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | A164 M165 | A164-C168 PolarHBondContact O-N 3.38Å; A164-C168 PolarHBondContact O-SG 3.22Å; M165-C168 WeakPolarHBondContact O-CB 3.44Å; M165-C168 PolarHBondContact O-N 3.42Å; M165-C168 VanDerWaalsContact O-N 3.13Å |
| 169 | F | 78.9 | Confident | 77.6 | Confident | 142 Ų | 142 | 121.6 Ų | 121.6 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.7 | -22.8 | 178.9 | -66.3 | -63 | 0 | 0 | 0 | 114 | M165 G166 K167 N171 I172 | M165-F169 WeakPolarHBondContact O-CD2 3.14Å; M165-F169 PolarHBondContact O-N 3.33Å; G166-F169 PolarHBondContact O-N 3.18Å; K167-F169 VanDerWaalsContact C-N 3.32Å; K167-F169 PolarHBondContact O-N 3.33Å; F169-N171 PolarHBondContact O-N 3.35Å; F169-I172 HydrophobicContact CD1-CD1 4.13Å; F169-I172 PolarHBondContact O-N 3.4Å |
| 170 | S | 77.3 | Confident | 76.1 | Confident | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.1 | -21.1 | -178.5 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | G166 K167 I172 | G166-S170 VanDerWaalsContact O-CB 3.32Å; G166-S170 WeakPolarHBondContact O-CB 3.22Å; G166-S170 PolarHBondContact O-N 3.07Å; K167-S170 PolarHBondContact O-N 3.41Å; K167-S170 PolarHBondContact O-OG 3.15Å; K167-S170 VanDerWaalsContact O-OG 3.1Å; S170-I172 PolarHBondContact O-N 2.98Å |
| 171 | N | 71 | Confident | 75.4 | Confident | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -7.5 | 178.7 | -141.7 | 3.2 | 0 | 0 | 0 | 112.9 | F169 R173 | F169-N171 PolarHBondContact O-N 3.35Å; N171-R173 PolarHBondContact O-N 2.9Å; N171-R173 VanDerWaalsContact O-N 3.09Å |
| 172 | I | 73.3 | Confident | 74.9 | Confident | 113 Ų | 113 | 132.8 Ų | 132.8 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | trans | -83.2 | 85.2 | 175.4 | -58.3 | 168 | 0 | 0 | 0 | 108.4 | F169 S170 L174 | F169-I172 HydrophobicContact CD1-CD1 4.13Å; F169-I172 PolarHBondContact O-N 3.4Å; S170-I172 PolarHBondContact O-N 2.98Å; I172-L174 HydrophobicContact CG2-CG 4.47Å; I172-L174 PolarHBondContact O-N 2.85Å | ||
| 173 | R | 70.3 | Confident | 74.3 | Confident | 203 Ų | 203 | 132.7 Ų | 132.7 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -82.5 | 99.7 | 170.7 | -97.6 | 177.8 | 144.6 | -130.4 | -2.8 | 110.2 | N171 R175 | N171-R173 PolarHBondContact O-N 2.9Å; N171-R173 VanDerWaalsContact O-N 3.09Å; R173-R175 PolarHBondContact O-N 2.95Å | ||
| 174 | L | 72.1 | Confident | 73.5 | Confident | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -70.3 | 109.4 | 168.1 | -67.2 | 169.9 | 0 | 0 | 0 | 109.3 | I172 | I172-L174 HydrophobicContact CG2-CG 4.47Å; I172-L174 PolarHBondContact O-N 2.85Å | ||
| 175 | R | 70.8 | Confident | 72.6 | Confident | 209 Ų | 209 | 139.1 Ų | 139.1 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | trans | -88.9 | 103.8 | 165.4 | -74.4 | -172.8 | -179.8 | -107 | 6.4 | 108.1 | R173 T177 | R173-R175 PolarHBondContact O-N 2.95Å; R175-T177 PolarHBondContact O-N 3.1Å | ||
| 176 | T | 68.1 | Low | 71.7 | Confident | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -76.5 | 103.6 | 166.7 | -73.8 | 0 | 0 | 0 | 0 | 108.3 | K178 | T176-K178 HydrophobicContact CG2-CG 4.13Å; T176-K178 PolarHBondContact O-N 3.18Å | ||
| 177 | T | 64.3 | Low | 70.6 | Confident | 119 Ų | 119 | 150.1 Ų | 150.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -78.6 | 110.6 | 159.8 | -60.6 | 0 | 0 | 0 | 0 | 106.4 | R175 E179 | R175-T177 PolarHBondContact O-N 3.1Å; T177-E179 PolarHBondContact O-N 2.64Å | ||
| 178 | K | 62.3 | Low | 69.6 | Low | 185 Ų | 185 | 151.8 Ų | 151.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -74.7 | 108.5 | 164.6 | -79.1 | -165.7 | 172 | -174.2 | 0 | 107.1 | T176 | T176-K178 HydrophobicContact CG2-CG 4.13Å; T176-K178 PolarHBondContact O-N 3.18Å | ||
| 179 | E | 59.1 | Low | 68.5 | Low | 183 Ų | 183 | 156.4 Ų | 156.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 132.3 | 162.2 | -72.8 | -159.5 | 124.2 | 0 | 0 | 108.7 | T177 | T177-E179 PolarHBondContact O-N 2.64Š| ||
| 180 | V | 54.1 | Low | 67.5 | Low | 212 Ų | 212 | 157.7 Ų | 157.7 | 100% | 1.285 | 80% | 0.796 | S | S | * | * | trans | -82.9 | 0 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 180 of 180 residues in 168.6 ms
(Link to these results)