| 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 | 48.8 | Very low | 54.3 | Low | 245 Ų | 245 | 145.5 Ų | 145.5 | 100% | 1.207 | 82% | 0.824 | S | S | * | * | 0 | 95.9 | 0 | -71.7 | 172.6 | 162.9 | 0 | 0 | 106.8 | |||||
| 2 | I | 48 | Very low | 54.4 | Low | 165 Ų | 165 | 143.9 Ų | 143.9 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -104.8 | 114.5 | -176 | -63.9 | 163.9 | 0 | 0 | 0 | 105.1 | ||||
| 3 | S | 55.6 | Low | 53.4 | Low | 126 Ų | 126 | 142.9 Ų | 142.9 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -107.1 | 96.2 | 178.2 | -156.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | S | 56.1 | Low | 53.1 | Low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 128.1 | 171.8 | -68 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | S | 54.9 | Low | 53 | Low | 92 Ų | 92 | 140.2 Ų | 140.2 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -87.8 | 108.9 | 168.7 | -171.6 | 0 | 0 | 0 | 0 | 109 | Y7 | S5-Y7 PolarHBondContact O-N 2.92Š| ||
| 6 | S | 57.7 | Low | 52.6 | Low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.6 | 167.8 | -77.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 7 | Y | 49.6 | Very low | 52.2 | Low | 200 Ų | 200 | 138.2 Ų | 138.2 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 131.1 | 160.7 | -69.5 | -84.8 | 0 | 0 | 0 | 108.5 | S5 T9 | S5-Y7 PolarHBondContact O-N 2.92Å; Y7-T9 PolarHBondContact O-N 3.49Å |
| 8 | P | 63.2 | Low | 51.9 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 125.3 | 179.4 | 27.2 | -31.6 | 0 | 0 | 0 | 110.8 | E10 | P8-E10 PolarHBondContact O-N 2.57Š|
| 9 | T | 54 | Low | 51.8 | Low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -79 | 100.5 | 163.9 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | Y7 V11 | Y7-T9 PolarHBondContact O-N 3.49Å; T9-V11 PolarHBondContact O-N 3.15Å | ||
| 10 | E | 57.7 | Low | 51.5 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 94.5 | 163.7 | -69.8 | -152.6 | 135.2 | 0 | 0 | 108.8 | P8 V12 | P8-E10 PolarHBondContact O-N 2.57Å; E10-V12 HydrophobicContact CB-CG2 4.49Å | ||
| 11 | V | 51.7 | Low | 51.4 | Low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -82.2 | 106.1 | 157.6 | -73.3 | 0 | 0 | 0 | 0 | 106.8 | T9 | T9-V11 PolarHBondContact O-N 3.15Š| ||
| 12 | V | 55.6 | Low | 51.5 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -122 | 87.8 | 168.5 | -172 | 0 | 0 | 0 | 0 | 107.2 | E10 | E10-V12 HydrophobicContact CB-CG2 4.49Š| ||
| 13 | D | 41 | Very low | 51.7 | Low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 163.5 | 160.7 | -163.6 | 2.4 | 0 | 0 | 0 | 108.6 | ||||
| 14 | L | 49.7 | Very low | 51.5 | Low | 134 Ų | 134 | 134 Ų | 134 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 92.9 | 90.2 | 160.4 | -53.6 | 147.5 | 0 | 0 | 0 | 116.9 | ||||
| 15 | T | 51.6 | Low | 51 | Low | 111 Ų | 111 | 132.3 Ų | 132.3 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | 48.6 | 122.2 | 116.4 | 64.7 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 16 | N | 46.7 | Very low | 51.2 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | 78.4 | 133.2 | 150 | -82.5 | -51.6 | 0 | 0 | 0 | 120.2 | ||||
| 17 | S | 45.7 | Very low | 51.1 | Low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | 76.9 | 107.7 | 145 | -84.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 18 | D | 45.8 | Very low | 51.4 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | 77.2 | 120.9 | 120.2 | -63.9 | -52.7 | 0 | 0 | 0 | 119.3 | |||||
| 19 | T | 50 | Low | 50.9 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | 57.9 | 104.1 | 147.1 | 62.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 20 | D | 46.5 | Very low | 50.9 | Low | 150 Ų | 150 | 126.7 Ų | 126.7 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | -179.7 | 143.7 | 102.3 | -95.1 | -45.6 | 0 | 0 | 0 | 114.4 | |||||
| 21 | T | 48.8 | Very low | 50.7 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | -30.8 | 133 | 173.6 | 53.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 22 | K | 51.4 | Low | 50.7 | Low | 204 Ų | 204 | 129.7 Ų | 129.7 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | trans | -150.4 | 118.6 | 131.2 | -131.3 | 165.6 | -169.9 | 167.2 | 0 | 110.7 | L24 | K22-L24 PolarHBondContact O-N 3.44Š| ||
| 23 | P | 53 | Low | 50.2 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 127.3 | -171 | 28.7 | -33 | 0 | 0 | 0 | 111.3 | S25 | P23-S25 PolarHBondContact O-N 3.1Š|
| 24 | L | 51.8 | Low | 50.5 | Low | 154 Ų | 154 | 133.4 Ų | 133.4 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 119.3 | 174.1 | -154 | 72.8 | 0 | 0 | 0 | 109.1 | K22 | K22-L24 PolarHBondContact O-N 3.44Š|
| 25 | S | 45.2 | Very low | 50.2 | Low | 70 Ų | 70 | 136 Ų | 136 | 49% | 0.49 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 128.2 | -172.1 | 174.1 | 0 | 0 | 0 | 0 | 113.3 | P23 A27 A28 | P23-S25 PolarHBondContact O-N 3.1Å; S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 PolarHBondContact OG-N 2.75Å; S25-A28 PolarHBondContact O-N 2.79Å |
| 26 | P | 58.7 | Low | 49.8 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -66.8 | -2.7 | 179.5 | 26.3 | -33.5 | 0 | 0 | 0 | 114.1 | ||
| 27 | A | 56.2 | Low | 49.5 | Very low | 58 Ų | 58 | 138 Ų | 138 | 48% | 0.479 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -81.5 | -25.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S25 | S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 PolarHBondContact OG-N 2.75Å |
| 28 | A | 54.8 | Low | 49.3 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 54% | 0.537 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -77.7 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S25 R30 R31 | S25-A28 PolarHBondContact O-N 2.79Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 3.45Å; A28-R31 PolarHBondContact O-N 2.77Å |
| 29 | I | 53.5 | Low | 49.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -68.3 | -33.2 | 179.9 | -59.4 | 172.3 | 0 | 0 | 0 | 111.2 | R31 | I29-R31 VanDerWaalsContact C-N 3.29Å; I29-R31 PolarHBondContact O-N 3.24Å |
| 30 | R | 53.3 | Low | 49.2 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 75% | 0.751 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -19.7 | 177.8 | -75.1 | -175.8 | -169 | 166.5 | 4.6 | 114.2 | A28 | A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 3.45Å |
| 31 | R | 54.4 | Low | 49.4 | Very low | 211 Ų | 211 | 138.1 Ų | 138.1 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -24.7 | -176.2 | -74 | -173.2 | 174.9 | 175.5 | -0.4 | 113.9 | A28 I29 S33 | A28-R31 PolarHBondContact O-N 2.77Å; I29-R31 VanDerWaalsContact C-N 3.29Å; I29-R31 PolarHBondContact O-N 3.24Å; R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 3.4Å |
| 32 | L | 50 | Low | 49.3 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -12.2 | 175.5 | -74.3 | 169.9 | 0 | 0 | 0 | 113.8 | R34 | L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.87Å |
| 33 | S | 45.8 | Very low | 49.4 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -0.8 | 177 | -157 | 0 | 0 | 0 | 0 | 113.4 | R31 | R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 3.4Å |
| 34 | R | 46.9 | Very low | 49.3 | Very low | 233 Ų | 233 | 134.4 Ų | 134.4 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | trans | -100.1 | 25.4 | -173.2 | -149.9 | -175.9 | -171.2 | 172.3 | 3.9 | 114.9 | L32 | L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.87Å | ||
| 35 | E | 43.5 | Very low | 49.3 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 67% | 0.668 | S | S | * | * | trans | -111.9 | 60.2 | 168 | -158.1 | 177.6 | 114.6 | 0 | 0 | 110.1 | N37 | E35-N37 PolarHBondContact O-N 3.39Š| ||
| 36 | K | 43.2 | Very low | 49.7 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -82.7 | 106.4 | 169.9 | -145.5 | 174.5 | -174.8 | 175.1 | 0 | 107.7 | K38 | K36-K38 PolarHBondContact O-N 3.33Š| ||
| 37 | N | 40.6 | Very low | 49.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 60% | 0.599 | 67% | 0.671 | S | S | * | * | trans | -35.1 | 120.4 | 175.6 | -171.4 | -51.6 | 0 | 0 | 0 | 112.8 | E35 N39 | E35-N37 PolarHBondContact O-N 3.39Å; N37-N39 VanDerWaalsContact C-N 3.3Å; N37-N39 PolarHBondContact O-N 3.01Å; N37-N39 VanDerWaalsContact OD1-CB 3.24Å; N37-N39 WeakPolarHBondContact OD1-CB 3.39Å; N37-N39 PolarHBondContact OD1-N 2.94Å | ||
| 38 | K | 42.7 | Very low | 49.6 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 11.4 | 179.5 | -82.8 | 178.2 | 174.9 | 175.4 | 0 | 114 | K36 P41 | K36-K38 PolarHBondContact O-N 3.33Å; K38-P41 WeakPolarHBondContact O-CD 3.39Å |
| 39 | N | 42.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 2.1 | -177.3 | -72.8 | 15.7 | 0 | 0 | 0 | 114.9 | N37 | N37-N39 VanDerWaalsContact C-N 3.3Å; N37-N39 PolarHBondContact O-N 3.01Å; N37-N39 VanDerWaalsContact OD1-CB 3.24Å; N37-N39 WeakPolarHBondContact OD1-CB 3.39Å; N37-N39 PolarHBondContact OD1-N 2.94Å |
| 40 | T | 49.5 | Very low | 49.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.3 | -18.3 | -179.6 | -33.6 | 0 | 0 | 0 | 0 | 116.8 | K42 | T40-K42 VanDerWaalsContact C-N 3.29Å; T40-K42 PolarHBondContact O-N 3.49Å |
| 41 | P | 51 | Low | 49.3 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.2 | -19.2 | 176.2 | 28.6 | -31.4 | 0 | 0 | 0 | 113.1 | K38 | K38-P41 WeakPolarHBondContact O-CD 3.39Å |
| 42 | K | 47.1 | Very low | 49.1 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80 | -34 | -178.6 | -67.4 | -170.7 | 176.5 | -175.1 | 0 | 113.7 | T40 L44 D45 E46 | T40-K42 VanDerWaalsContact C-N 3.29Å; T40-K42 PolarHBondContact O-N 3.49Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-D45 PolarHBondContact O-N 3.47Å; K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 3.4Å |
| 43 | I | 52.5 | Low | 49 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 53% | 0.533 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -70.8 | -34.5 | -176.5 | -61.6 | 174 | 0 | 0 | 0 | 110.9 | E46 I47 | I43-E46 PolarHBondContact O-N 3.03Å; I43-I47 HydrophobicContact CG2-CD1 4Å; I43-I47 WeakPolarHBondContact O-CD1 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.24Å; I43-I47 WeakPolarHBondContact O-CG1 3.01Å; I43-I47 PolarHBondContact O-N 3.41Å; I43-I47 VanDerWaalsContact O-N 3.12Å |
| 44 | L | 52.1 | Low | 49.5 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.8 | -36.6 | 179.7 | -155.1 | 152.8 | 0 | 0 | 0 | 111.5 | K42 N48 | K42-L44 VanDerWaalsContact C-N 3.35Å; L44-N48 PolarHBondContact O-N 3.18Å; L44-N48 PolarHBondContact O-ND2 3.26Å |
| 45 | D | 51.4 | Low | 49.9 | Very low | 109 Ų | 109 | 129 Ų | 129 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.8 | -35.5 | 173.4 | -67.5 | -21 | 0 | 0 | 0 | 112.1 | K42 N48 S49 | K42-D45 PolarHBondContact O-N 3.47Å; D45-N48 PolarHBondContact O-N 3.06Å; D45-S49 VanDerWaalsContact O-CB 3.31Å; D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 3.02Å |
| 46 | E | 53.4 | Low | 50.5 | Low | 142 Ų | 142 | 129 Ų | 129 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.3 | -33.7 | 178.8 | -163.4 | 173.3 | 135.6 | 0 | 0 | 112.6 | K42 I43 S49 C50 | K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 3.4Å; I43-E46 PolarHBondContact O-N 3.03Å; E46-S49 PolarHBondContact O-N 2.77Å; E46-C50 PolarHBondContact O-N 2.82Å |
| 47 | I | 55.8 | Low | 51.3 | Low | 95 Ų | 95 | 128.4 Ų | 128.4 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -68.6 | -40.8 | 174.8 | -66.2 | 163.4 | 0 | 0 | 0 | 110.9 | I43 S49 M73 | I43-I47 HydrophobicContact CG2-CD1 4Å; I43-I47 WeakPolarHBondContact O-CD1 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.24Å; I43-I47 WeakPolarHBondContact O-CG1 3.01Å; I43-I47 PolarHBondContact O-N 3.41Å; I43-I47 VanDerWaalsContact O-N 3.12Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-M73 HydrophobicContact CG2-CE 4.26Å |
| 48 | N | 58.2 | Low | 52 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -72.6 | -27.7 | 176.7 | -71.1 | -37.8 | 0 | 0 | 0 | 112.6 | L44 D45 | L44-N48 PolarHBondContact O-N 3.18Å; L44-N48 PolarHBondContact O-ND2 3.26Å; D45-N48 PolarHBondContact O-N 3.06Å |
| 49 | S | 55.9 | Low | 52.9 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -79.1 | -16.7 | 179.6 | -169.8 | 0 | 0 | 0 | 0 | 114.2 | D45 E46 I47 C51 | D45-S49 VanDerWaalsContact O-CB 3.31Å; D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 3.02Å; E46-S49 PolarHBondContact O-N 2.77Å; I47-S49 VanDerWaalsContact C-N 3.34Å; S49-C51 VanDerWaalsContact C-N 3.35Å |
| 50 | C | 45.5 | Very low | 53.5 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -24.2 | -176.5 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | E46 K52 | E46-C50 PolarHBondContact O-N 2.82Å; C50-K52 PolarHBondContact O-N 3.2Å |
| 51 | C | 52.4 | Low | 53.7 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 9.2 | -172.5 | -87.9 | 0 | 0 | 0 | 0 | 115.7 | S49 | S49-C51 VanDerWaalsContact C-N 3.35Š|
| 52 | K | 50 | Low | 54 | Low | 189 Ų | 189 | 133 Ų | 133 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.8 | 14.3 | -168.2 | -147.2 | -177.8 | 171.4 | 68.8 | 0 | 116.1 | C50 | C50-K52 PolarHBondContact O-N 3.2Š|
| 53 | D | 49.5 | Very low | 54.4 | Low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -146.5 | 70 | -170.8 | -164.5 | 35.5 | 0 | 0 | 0 | 113.9 | ||||
| 54 | M | 55.7 | Low | 55 | Low | 196 Ų | 196 | 136.4 Ų | 136.4 | 97% | 0.966 | 74% | 0.738 | S | S | * | * | trans | -155.4 | 102.8 | 159.1 | -74.5 | -154.1 | -68.6 | 0 | 0 | 109.8 | ||||
| 55 | G | 55.3 | Low | 55.2 | Low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 152.6 | 31.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | K57 | G55-K57 PolarHBondContact O-N 3.11Š| ||
| 56 | E | 55.8 | Low | 55.8 | Low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -72.6 | 97.7 | 163.1 | -168 | 125.7 | 126 | 0 | 0 | 108.3 | ||||
| 57 | K | 60.3 | Low | 56.4 | Low | 185 Ų | 185 | 142 Ų | 142 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -115 | 112.9 | 162.8 | -83.3 | -158.8 | 179.6 | 84.4 | 0 | 107.8 | G55 V59 | G55-K57 PolarHBondContact O-N 3.11Å; K57-V59 PolarHBondContact O-N 3.28Å | ||
| 58 | D | 55.8 | Low | 57.3 | Low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -54 | 102.8 | 165.9 | -60.4 | -75.1 | 0 | 0 | 0 | 110.5 | ||||
| 59 | V | 61.4 | Low | 58.5 | Low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -129.5 | 115.4 | 163.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | K57 | K57-V59 PolarHBondContact O-N 3.28Š| ||
| 60 | P | 55.9 | Low | 59.8 | Low | 112 Ų | 112 | 149.3 Ų | 149.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 125.7 | 177.4 | 31.2 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 61 | D | 52.5 | Low | 61.9 | Low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 60.2 | 78.1 | 136.5 | -135.5 | 18.2 | 0 | 0 | 0 | 116.8 | ||||
| 62 | D | 57.5 | Low | 63.9 | Low | 155 Ų | 155 | 148.1 Ų | 148.1 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -154.8 | 123.7 | 150.4 | -81.1 | -46.9 | 0 | 0 | 0 | 109 | D64 | D62-D64 VanDerWaalsContact C-N 3.3Å; D62-D64 PolarHBondContact O-N 3.34Å | ||
| 63 | E | 56 | Low | 65.8 | Low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -69.1 | 61.7 | -170.3 | -59 | -175.2 | 161.9 | 0 | 0 | 115.3 | ||||
| 64 | D | 63.7 | Low | 67.9 | Low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -104.8 | 94.4 | 170.4 | -81 | -34.8 | 0 | 0 | 0 | 110.1 | D62 D66 | D62-D64 VanDerWaalsContact C-N 3.3Å; D62-D64 PolarHBondContact O-N 3.34Å; D64-D66 PolarHBondContact O-N 3.15Å | ||
| 65 | F | 56.8 | Low | 69.7 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | 12.4 | 83.6 | 164.3 | -58.8 | -91.2 | 0 | 0 | 0 | 115.3 | I67 | F65-I67 HydrophobicContact CB-CG1 4.41Å; F65-I67 PolarHBondContact O-N 3.39Å | ||
| 66 | D | 64.1 | Low | 71.4 | Confident | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -63.4 | 76.6 | 159.1 | -80.1 | -39.2 | 0 | 0 | 0 | 107.6 | D64 E68 | D64-D66 PolarHBondContact O-N 3.15Å; D66-E68 PolarHBondContact O-N 3.4Å | ||
| 67 | I | 66 | Low | 73.1 | Confident | 135 Ų | 135 | 137.1 Ų | 137.1 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | -64.3 | 97.5 | 158.5 | -66.3 | 171.5 | 0 | 0 | 0 | 103.2 | F65 D69 | F65-I67 HydrophobicContact CB-CG1 4.41Å; F65-I67 PolarHBondContact O-N 3.39Å; I67-D69 PolarHBondContact O-N 2.97Å | ||
| 68 | E | 74.6 | Confident | 74.6 | Confident | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | trans | -46.7 | 116.5 | 170.2 | -70 | 177 | 176.3 | 0 | 0 | 107.4 | D66 E70 | D66-E68 PolarHBondContact O-N 3.4Å; E68-E70 PolarHBondContact O-N 2.87Å | ||
| 69 | D | 83.1 | Confident | 76.3 | Confident | 161 Ų | 161 | 126.9 Ų | 126.9 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -59.3 | 109.5 | -177.4 | -77.7 | -39.6 | 0 | 0 | 0 | 108.3 | I67 S71 | I67-D69 PolarHBondContact O-N 2.97Å; D69-S71 PolarHBondContact O-N 3.15Å | ||
| 70 | E | 84.8 | Confident | 77.6 | Confident | 99 Ų | 99 | 124 Ų | 124 | 46% | 0.463 | 63% | 0.633 | S | S | . | * | trans | -53.8 | 130.9 | 174.8 | 59.3 | -179.4 | 177.3 | 0 | 0 | 109.1 | E68 I72 R75 | E68-E70 PolarHBondContact O-N 2.87Å; E70-I72 PolarHBondContact O-N 3.16Å; E70-R75 HydrophobicContact CG-CB 4.48Å; E70-R75 IonicContact OE1-CZ 3.12Å; E70-R75 IonicContact OE1-NE 2.72Å; E70-R75 PolarHBondContact OE1-NE 2.69Å; E70-R75 IonicContact OE1-NH2 2.69Å; E70-R75 PolarHBondContact OE1-NH2 3.32Å | ||
| 71 | S | 89.3 | Confident | 79.2 | Confident | 42 Ų | 42 | 125.4 Ų | 125.4 | 29% | 0.294 | 63% | 0.63 | S | S | . | * | trans | -59.2 | 143.5 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | D69 M73 E74 R75 | D69-S71 PolarHBondContact O-N 3.15Å; S71-M73 PolarHBondContact O-N 3.02Å; S71-M73 PolarHBondContact OG-N 3.06Å; S71-E74 PolarHBondContact N-OE2 3.41Å; S71-E74 WeakPolarHBondContact O-CA 3.46Å; S71-E74 WeakPolarHBondContact O-CB 3.36Å; S71-E74 PolarHBondContact O-N 3.16Å; S71-R75 PolarHBondContact O-N 3.35Å | ||
| 72 | I | 93.4 | Very high | 81 | Confident | 136 Ų | 136 | 125.8 Ų | 125.8 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -51.9 | -32.7 | 173.7 | -61.5 | 170.6 | 0 | 0 | 0 | 110 | E70 L76 | E70-I72 PolarHBondContact O-N 3.16Å; I72-L76 HydrophobicContact CG2-CD1 3.97Å; I72-L76 HydrophobicContact CG2-CG 4.3Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 3.1Å |
| 73 | M | 91.5 | Very high | 82.5 | Confident | 91 Ų | 91 | 123.3 Ų | 123.3 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.1 | -43.3 | 174.4 | -170.5 | -178 | -66.3 | 0 | 0 | 112.7 | I47 S71 L76 I77 | I47-M73 HydrophobicContact CG2-CE 4.26Å; S71-M73 PolarHBondContact O-N 3.02Å; S71-M73 PolarHBondContact OG-N 3.06Å; M73-L76 PolarHBondContact O-N 3.13Å; M73-I77 WeakPolarHBondContact O-CG2 3.24Å; M73-I77 PolarHBondContact O-N 2.8Å |
| 74 | E | 92.5 | Very high | 84 | Confident | 117 Ų | 117 | 117.7 Ų | 117.7 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -44.9 | 176.4 | -70.4 | 173.5 | 165.4 | 0 | 0 | 111.1 | S71 L76 I77 G78 | S71-E74 PolarHBondContact N-OE2 3.41Å; S71-E74 WeakPolarHBondContact O-CA 3.46Å; S71-E74 WeakPolarHBondContact O-CB 3.36Å; S71-E74 PolarHBondContact O-N 3.16Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.18Å; E74-I77 WeakPolarHBondContact O-CG2 3.31Å; E74-I77 PolarHBondContact O-N 3.03Å; E74-G78 PolarHBondContact O-N 3.49Å |
| 75 | R | 93.8 | Very high | 85.4 | Confident | 159 Ų | 159 | 117 Ų | 117 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.9 | -42.9 | 172.8 | -176.9 | 178.2 | -75.3 | 174.6 | -0 | 111.8 | E70 S71 L79 | E70-R75 HydrophobicContact CG-CB 4.48Å; E70-R75 IonicContact OE1-CZ 3.12Å; E70-R75 IonicContact OE1-NE 2.72Å; E70-R75 PolarHBondContact OE1-NE 2.69Å; E70-R75 IonicContact OE1-NH2 2.69Å; E70-R75 PolarHBondContact OE1-NH2 3.32Å; S71-R75 PolarHBondContact O-N 3.35Å; R75-L79 VanDerWaalsContact O-CB 3.29Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 PolarHBondContact O-N 3.43Å |
| 76 | L | 91.6 | Very high | 87 | Confident | 103 Ų | 103 | 112.9 Ų | 112.9 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -40.2 | 178.7 | -75.6 | 171.3 | 0 | 0 | 0 | 112.4 | I72 M73 E74 L79 L80 | I72-L76 HydrophobicContact CG2-CD1 3.97Å; I72-L76 HydrophobicContact CG2-CG 4.3Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 3.1Å; M73-L76 PolarHBondContact O-N 3.13Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.18Å; L76-L79 PolarHBondContact O-N 2.79Å; L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 PolarHBondContact O-N 3.36Å |
| 77 | I | 90.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.9 | -40.1 | 177 | -172.3 | 64.8 | 0 | 0 | 0 | 110.8 | M73 E74 L80 E81 | M73-I77 WeakPolarHBondContact O-CG2 3.24Å; M73-I77 PolarHBondContact O-N 2.8Å; E74-I77 WeakPolarHBondContact O-CG2 3.31Å; E74-I77 PolarHBondContact O-N 3.03Å; I77-L80 HydrophobicContact CD1-CD2 4.33Å; I77-L80 WeakPolarHBondContact O-CB 3.22Å; I77-L80 PolarHBondContact O-N 3.4Å; I77-E81 PolarHBondContact O-N 2.97Å |
| 78 | G | 91.6 | Very high | 89.6 | Confident | 31 Ų | 31 | 108.4 Ų | 108.4 | 32% | 0.32 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E74 L80 E81 M82 | E74-G78 PolarHBondContact O-N 3.49Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.09Å; G78-E81 WeakPolarHBondContact O-CB 3.23Å; G78-E81 PolarHBondContact O-N 3.5Å; G78-M82 PolarHBondContact O-N 3.42Å |
| 79 | L | 91.3 | Very high | 90.4 | Very high | 95 Ų | 95 | 107.6 Ų | 107.6 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 173.4 | -167.2 | 71.5 | 0 | 0 | 0 | 111.6 | R75 L76 E81 M82 F83 | R75-L79 VanDerWaalsContact O-CB 3.29Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 PolarHBondContact O-N 3.43Å; L76-L79 PolarHBondContact O-N 2.79Å; L79-E81 VanDerWaalsContact C-N 3.27Å; L79-E81 PolarHBondContact O-N 3Å; L79-M82 PolarHBondContact O-N 3.29Å; L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 WeakPolarHBondContact O-CE2 3.3Å |
| 80 | L | 89 | Confident | 90.9 | Very high | 60 Ų | 60 | 101.8 Ų | 101.8 | 31% | 0.314 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 176.9 | -172.6 | 63.2 | 0 | 0 | 0 | 111.9 | L76 I77 G78 M82 F83 I91 | L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 PolarHBondContact O-N 3.36Å; I77-L80 HydrophobicContact CD1-CD2 4.33Å; I77-L80 WeakPolarHBondContact O-CB 3.22Å; I77-L80 PolarHBondContact O-N 3.4Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.09Å; L80-M82 VanDerWaalsContact C-N 3.32Å; L80-F83 HydrophobicContact CD1-CD2 4.36Å; L80-F83 PolarHBondContact O-N 2.77Å; L80-I91 HydrophobicContact CD1-CD1 4.19Å |
| 81 | E | 90 | Very high | 91.3 | Very high | 143 Ų | 143 | 101.3 Ų | 101.3 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -29.1 | 178.3 | -171.5 | 168.7 | -167.3 | 0 | 0 | 112.9 | I77 G78 L79 F83 | I77-E81 PolarHBondContact O-N 2.97Å; G78-E81 WeakPolarHBondContact O-CB 3.23Å; G78-E81 PolarHBondContact O-N 3.5Å; L79-E81 VanDerWaalsContact C-N 3.27Å; L79-E81 PolarHBondContact O-N 3Å; E81-F83 VanDerWaalsContact C-N 3.31Å; E81-F83 PolarHBondContact O-N 2.84Å |
| 82 | M | 91.3 | Very high | 91.5 | Very high | 160 Ų | 160 | 102.2 Ų | 102.2 | 79% | 0.788 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14.7 | 177.1 | -64 | -176.7 | 71.5 | 0 | 0 | 114.1 | G78 L79 L80 | G78-M82 PolarHBondContact O-N 3.42Å; L79-M82 PolarHBondContact O-N 3.29Å; L80-M82 VanDerWaalsContact C-N 3.32Å |
| 83 | F | 87.1 | Confident | 91.5 | Very high | 103 Ų | 103 | 99.5 Ų | 99.5 | 45% | 0.452 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -76.6 | 145.9 | 179.7 | -72.7 | -75.4 | 0 | 0 | 0 | 112.2 | L79 L80 E81 V87 | L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 WeakPolarHBondContact O-CE2 3.3Å; L80-F83 HydrophobicContact CD1-CD2 4.36Å; L80-F83 PolarHBondContact O-N 2.77Å; E81-F83 VanDerWaalsContact C-N 3.31Å; E81-F83 PolarHBondContact O-N 2.84Å; F83-V87 HydrophobicContact CB-CG1 4.49Å |
| 84 | P | 89.1 | Confident | 91.7 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 49% | 0.494 | 51% | 0.514 | S | S | . | . | trans | -61.4 | 144.9 | -178.8 | 25.5 | -34.7 | 0 | 0 | 0 | 112.1 | P86 V87 R88 | P84-P86 VanDerWaalsContact C-N 3.35Å; P84-P86 HydrophobicContact CB-CG 4.23Å; P84-P86 VanDerWaalsContact O-N 3.13Å; P84-V87 HydrophobicContact CG-CB 4.49Å; P84-V87 HydrophobicContact CG-CG2 3.93Å; P84-V87 WeakPolarHBondContact O-CB 2.96Å; P84-V87 PolarHBondContact O-N 3.02Å; P84-R88 PolarHBondContact O-N 3.46Å | ||
| 85 | E | 91.6 | Very high | 91.9 | Very high | 124 Ų | 124 | 100.7 Ų | 100.7 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -45 | -43.3 | -179.4 | -69.4 | -158.7 | -175.8 | 0 | 0 | 116.3 | V87 R88 R89 | E85-V87 VanDerWaalsContact C-N 3.25Å; E85-V87 PolarHBondContact O-N 3.33Å; E85-R88 PolarHBondContact O-N 3.36Å; E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 WeakPolarHBondContact O-CG 3.34Å; E85-R89 PolarHBondContact O-N 2.93Å; E85-R89 IonicContact OE2-CZ 3.42Å; E85-R89 IonicContact OE2-NE 3.51Å; E85-R89 IonicContact OE2-NH2 2.7Å; E85-R89 PolarHBondContact OE2-NH2 3.28Å |
| 86 | P | 91.6 | Very high | 92 | Very high | 96 Ų | 96 | 95.6 Ų | 95.6 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -35.7 | 178.6 | 21.3 | -35.2 | 0 | 0 | 0 | 113.2 | P84 G90 | P84-P86 VanDerWaalsContact C-N 3.35Å; P84-P86 HydrophobicContact CB-CG 4.23Å; P84-P86 VanDerWaalsContact O-N 3.13Å; P86-G90 PolarHBondContact O-N 2.86Å |
| 87 | V | 91.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 93.5 Ų | 93.5 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | F83 P84 E85 R89 G90 I91 | F83-V87 HydrophobicContact CB-CG1 4.49Å; P84-V87 HydrophobicContact CG-CB 4.49Å; P84-V87 HydrophobicContact CG-CG2 3.93Å; P84-V87 WeakPolarHBondContact O-CB 2.96Å; P84-V87 PolarHBondContact O-N 3.02Å; E85-V87 VanDerWaalsContact C-N 3.25Å; E85-V87 PolarHBondContact O-N 3.33Å; V87-R89 PolarHBondContact O-N 2.76Å; V87-G90 PolarHBondContact O-N 2.98Å; V87-I91 HydrophobicContact CG1-CD1 3.89Å; V87-I91 HydrophobicContact CG1-CG1 4.5Å; V87-I91 WeakPolarHBondContact O-CG1 3.25Å; V87-I91 PolarHBondContact O-N 3.36Å |
| 88 | R | 92.5 | Very high | 92.4 | Very high | 139 Ų | 139 | 91.4 Ų | 91.4 | 53% | 0.525 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 177.5 | -173.9 | 174.2 | 172.5 | 172.2 | -0.1 | 112 | P84 E85 I91 S92 | P84-R88 PolarHBondContact O-N 3.46Å; E85-R88 PolarHBondContact O-N 3.36Å; R88-I91 PolarHBondContact O-N 2.86Å; R88-S92 WeakPolarHBondContact O-CB 3.37Å; R88-S92 PolarHBondContact O-N 3.04Å; R88-S92 PolarHBondContact O-OG 3.45Å |
| 89 | R | 92.3 | Very high | 92.7 | Very high | 163 Ų | 163 | 91.9 Ų | 91.9 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 175 | -69.7 | -179.3 | -166.6 | -166.1 | 2.7 | 111.5 | E85 V87 S92 S93 | E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 WeakPolarHBondContact O-CG 3.34Å; E85-R89 PolarHBondContact O-N 2.93Å; E85-R89 IonicContact OE2-CZ 3.42Å; E85-R89 IonicContact OE2-NE 3.51Å; E85-R89 IonicContact OE2-NH2 2.7Å; E85-R89 PolarHBondContact OE2-NH2 3.28Å; V87-R89 PolarHBondContact O-N 2.76Å; R89-S92 WeakPolarHBondContact CA-OG 3.48Å; R89-S92 PolarHBondContact O-N 2.71Å; R89-S92 PolarHBondContact O-OG 3.43Å; R89-S93 WeakPolarHBondContact O-CB 3.38Å; R89-S93 PolarHBondContact O-N 3.03Å |
| 90 | G | 93.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 93.9 Ų | 93.9 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P86 V87 S93 A94 | P86-G90 PolarHBondContact O-N 2.86Å; V87-G90 PolarHBondContact O-N 2.98Å; G90-S93 PolarHBondContact O-N 2.93Å; G90-A94 WeakPolarHBondContact O-CB 3.49Å; G90-A94 PolarHBondContact O-N 3.48Å |
| 91 | I | 92.8 | Very high | 93.2 | Very high | 89 Ų | 89 | 93.2 Ų | 93.2 | 46% | 0.456 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.4 | -66.3 | 166.7 | 0 | 0 | 0 | 110.5 | L80 V87 R88 S93 A94 Y95 | L80-I91 HydrophobicContact CD1-CD1 4.19Å; V87-I91 HydrophobicContact CG1-CD1 3.89Å; V87-I91 HydrophobicContact CG1-CG1 4.5Å; V87-I91 WeakPolarHBondContact O-CG1 3.25Å; V87-I91 PolarHBondContact O-N 3.36Å; R88-I91 PolarHBondContact O-N 2.86Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 3.39Å; I91-A94 PolarHBondContact O-N 3.43Å; I91-Y95 VanDerWaalsContact O-CB 3.23Å; I91-Y95 WeakPolarHBondContact O-CB 3.36Å; I91-Y95 PolarHBondContact O-N 3.38Å |
| 92 | S | 92.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 92.2 Ų | 92.2 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 179.4 | 72.7 | 0 | 0 | 0 | 0 | 113 | R88 R89 S96 | R88-S92 WeakPolarHBondContact O-CB 3.37Å; R88-S92 PolarHBondContact O-N 3.04Å; R88-S92 PolarHBondContact O-OG 3.45Å; R89-S92 WeakPolarHBondContact CA-OG 3.48Å; R89-S92 PolarHBondContact O-N 2.71Å; R89-S92 PolarHBondContact O-OG 3.43Å; S92-S96 WeakPolarHBondContact O-CB 3.08Å; S92-S96 PolarHBondContact O-N 3.09Å; S92-S96 PolarHBondContact O-OG 3.11Å |
| 93 | S | 94.2 | Very high | 93.8 | Very high | 79 Ų | 79 | 89.4 Ų | 89.4 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.4 | -46.2 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 111 | R89 G90 I91 Y95 S96 A97 | R89-S93 WeakPolarHBondContact O-CB 3.38Å; R89-S93 PolarHBondContact O-N 3.03Å; G90-S93 PolarHBondContact O-N 2.93Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 3.39Å; S93-Y95 VanDerWaalsContact C-N 3.35Å; S93-Y95 PolarHBondContact O-N 3.12Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-A97 WeakPolarHBondContact O-CB 3.37Å; S93-A97 PolarHBondContact O-N 3.31Å |
| 94 | A | 95.9 | Very high | 94.1 | Very high | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G90 I91 A97 A98 | G90-A94 WeakPolarHBondContact O-CB 3.49Å; G90-A94 PolarHBondContact O-N 3.48Å; I91-A94 PolarHBondContact O-N 3.43Å; A94-A97 PolarHBondContact O-N 2.91Å; A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.43Å |
| 95 | Y | 95.6 | Very high | 94.5 | Very high | 170 Ų | 170 | 86 Ų | 86 | 67% | 0.667 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 175.4 | 179.8 | -99.3 | 0 | 0 | 0 | 111.5 | I91 S93 A98 S99 | I91-Y95 VanDerWaalsContact O-CB 3.23Å; I91-Y95 WeakPolarHBondContact O-CB 3.36Å; I91-Y95 PolarHBondContact O-N 3.38Å; S93-Y95 VanDerWaalsContact C-N 3.35Å; S93-Y95 PolarHBondContact O-N 3.12Å; Y95-A98 PolarHBondContact O-N 2.99Å; Y95-S99 VanDerWaalsContact O-CB 3.28Å; Y95-S99 WeakPolarHBondContact O-CB 3.23Å; Y95-S99 PolarHBondContact O-N 2.84Å; Y95-S99 PolarHBondContact O-OG 3.33Å |
| 96 | S | 95.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 87.2 Ų | 87.2 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | S92 S93 A98 S99 E100 | S92-S96 WeakPolarHBondContact O-CB 3.08Å; S92-S96 PolarHBondContact O-N 3.09Å; S92-S96 PolarHBondContact O-OG 3.11Å; S93-S96 PolarHBondContact O-N 3.44Å; S96-A98 PolarHBondContact O-N 3.14Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 PolarHBondContact O-OG 2.8Å; S96-E100 WeakPolarHBondContact O-CB 3.23Å; S96-E100 WeakPolarHBondContact O-CG 3.09Å; S96-E100 PolarHBondContact O-N 2.77Å |
| 97 | A | 95.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 85.7 Ų | 85.7 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S93 A94 G101 | S93-A97 WeakPolarHBondContact O-CB 3.37Å; S93-A97 PolarHBondContact O-N 3.31Å; A94-A97 PolarHBondContact O-N 2.91Å; A97-G101 PolarHBondContact O-N 3.26Å |
| 98 | A | 96.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 87.8 Ų | 87.8 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A94 Y95 S96 G101 I102 | A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.43Å; Y95-A98 PolarHBondContact O-N 2.99Å; S96-A98 PolarHBondContact O-N 3.14Å; A98-G101 PolarHBondContact O-N 3.4Å; A98-I102 WeakPolarHBondContact O-CD1 3.36Å; A98-I102 VanDerWaalsContact O-CG1 3.22Å; A98-I102 WeakPolarHBondContact O-CG1 3.33Å; A98-I102 PolarHBondContact O-N 2.9Å |
| 99 | S | 96.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 83.8 Ų | 83.8 | 28% | 0.28 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 178.9 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | Y95 S96 I102 V103 | Y95-S99 VanDerWaalsContact O-CB 3.28Å; Y95-S99 WeakPolarHBondContact O-CB 3.23Å; Y95-S99 PolarHBondContact O-N 2.84Å; Y95-S99 PolarHBondContact O-OG 3.33Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 PolarHBondContact O-OG 2.8Å; S99-I102 PolarHBondContact O-N 2.76Å; S99-V103 WeakPolarHBondContact O-CB 3.23Å; S99-V103 VanDerWaalsContact O-CG2 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.17Å; S99-V103 PolarHBondContact O-N 2.99Å |
| 100 | E | 95 | Very high | 95.6 | Very high | 138 Ų | 138 | 84 Ų | 84 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 174.2 | -72.7 | 178.4 | -178.1 | 0 | 0 | 111.3 | S96 V103 S104 | S96-E100 WeakPolarHBondContact O-CB 3.23Å; S96-E100 WeakPolarHBondContact O-CG 3.09Å; S96-E100 PolarHBondContact O-N 2.77Å; E100-V103 PolarHBondContact O-N 2.94Å; E100-S104 WeakPolarHBondContact O-CB 3.22Å; E100-S104 PolarHBondContact O-N 3.32Å |
| 101 | G | 96.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 85 Ų | 85 | 46% | 0.464 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A97 A98 G105 | A97-G101 PolarHBondContact O-N 3.26Å; A98-G101 PolarHBondContact O-N 3.4Å; G101-G105 PolarHBondContact O-N 3Å |
| 102 | I | 97.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 83.7 Ų | 83.7 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | 176.7 | -68 | 160 | 0 | 0 | 0 | 110.6 | A98 S99 G105 Y106 | A98-I102 WeakPolarHBondContact O-CD1 3.36Å; A98-I102 VanDerWaalsContact O-CG1 3.22Å; A98-I102 WeakPolarHBondContact O-CG1 3.33Å; A98-I102 PolarHBondContact O-N 2.9Å; S99-I102 PolarHBondContact O-N 2.76Å; I102-G105 PolarHBondContact O-N 2.69Å; I102-Y106 VanDerWaalsContact O-CB 3.3Å; I102-Y106 WeakPolarHBondContact O-CB 3.32Å; I102-Y106 PolarHBondContact O-N 2.93Å |
| 103 | V | 96.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 84.6 Ų | 84.6 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | S99 E100 Y106 S107 | S99-V103 WeakPolarHBondContact O-CB 3.23Å; S99-V103 VanDerWaalsContact O-CG2 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.17Å; S99-V103 PolarHBondContact O-N 2.99Å; E100-V103 PolarHBondContact O-N 2.94Å; V103-Y106 PolarHBondContact O-N 3.27Å; V103-S107 PolarHBondContact O-N 3.43Å |
| 104 | S | 93.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 89.4 Ų | 89.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | E100 Y106 S107 L108 | E100-S104 WeakPolarHBondContact O-CB 3.22Å; E100-S104 PolarHBondContact O-N 3.32Å; S104-Y106 VanDerWaalsContact C-N 3.32Å; S104-Y106 PolarHBondContact O-N 2.87Å; S104-S107 PolarHBondContact O-N 3.42Å; S104-S107 PolarHBondContact O-OG 3.23Å; S104-L108 VanDerWaalsContact O-CB 3.28Å; S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.19Å |
| 105 | G | 96.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 93 Ų | 93 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G101 I102 S109 | G101-G105 PolarHBondContact O-N 3Å; I102-G105 PolarHBondContact O-N 2.69Å; G105-S109 VanDerWaalsContact O-CB 3.24Å; G105-S109 WeakPolarHBondContact O-CB 3.12Å; G105-S109 PolarHBondContact O-N 3.44Å; G105-S109 PolarHBondContact O-OG 2.88Å |
| 106 | Y | 97.3 | Very high | 96.4 | Very high | 149 Ų | 149 | 89.7 Ų | 89.7 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 175.4 | -177.6 | -100.3 | 0 | 0 | 0 | 112.3 | I102 V103 S104 S109 R110 | I102-Y106 VanDerWaalsContact O-CB 3.3Å; I102-Y106 WeakPolarHBondContact O-CB 3.32Å; I102-Y106 PolarHBondContact O-N 2.93Å; V103-Y106 PolarHBondContact O-N 3.27Å; S104-Y106 VanDerWaalsContact C-N 3.32Å; S104-Y106 PolarHBondContact O-N 2.87Å; Y106-S109 WeakPolarHBondContact CA-OG 3.26Å; Y106-S109 PolarHBondContact O-OG 3.03Å; Y106-R110 WeakPolarHBondContact O-CB 3.46Å; Y106-R110 PolarHBondContact O-N 2.9Å |
| 107 | S | 95.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 91 Ų | 91 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 177.9 | 78.5 | 0 | 0 | 0 | 0 | 112.2 | V103 S104 S111 | V103-S107 PolarHBondContact O-N 3.43Å; S104-S107 PolarHBondContact O-N 3.42Å; S104-S107 PolarHBondContact O-OG 3.23Å; S107-S111 PolarHBondContact O-N 3.43Å; S107-S111 VanDerWaalsContact O-N 3.13Å; S107-S111 PolarHBondContact O-OG 2.88Å |
| 108 | L | 96.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -50.4 | 175.4 | -178.7 | 68 | 0 | 0 | 0 | 110.5 | S104 R110 S111 V112 | S104-L108 VanDerWaalsContact O-CB 3.28Å; S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.19Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.32Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 VanDerWaalsContact O-N 3.11Å; L108-V112 HydrophobicContact CD1-CG2 4.01Å; L108-V112 HydrophobicContact CG-CG2 4.09Å; L108-V112 WeakPolarHBondContact O-CB 3.42Å; L108-V112 VanDerWaalsContact O-CG2 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.31Å |
| 109 | S | 97 | Very high | 96.6 | Very high | 54 Ų | 54 | 91.6 Ų | 91.6 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | G105 Y106 S111 V112 T113 | G105-S109 VanDerWaalsContact O-CB 3.24Å; G105-S109 WeakPolarHBondContact O-CB 3.12Å; G105-S109 PolarHBondContact O-N 3.44Å; G105-S109 PolarHBondContact O-OG 2.88Å; Y106-S109 WeakPolarHBondContact CA-OG 3.26Å; Y106-S109 PolarHBondContact O-OG 3.03Å; S109-S111 VanDerWaalsContact C-N 3.29Å; S109-S111 PolarHBondContact O-N 2.83Å; S109-V112 PolarHBondContact O-N 3.42Å; S109-T113 VanDerWaalsContact O-CB 3.23Å; S109-T113 WeakPolarHBondContact O-CB 3.45Å; S109-T113 PolarHBondContact O-N 2.85Å; S109-T113 PolarHBondContact O-OG1 2.96Å |
| 110 | R | 96.6 | Very high | 96.5 | Very high | 169 Ų | 169 | 92.8 Ų | 92.8 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.1 | -43.3 | 175 | -173.1 | 172.7 | -173.5 | 88 | 3.6 | 112.4 | Y106 L108 W114 | Y106-R110 WeakPolarHBondContact O-CB 3.46Å; Y106-R110 PolarHBondContact O-N 2.9Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.32Å; R110-W114 WeakPolarHBondContact O-CB 3.31Å; R110-W114 PolarHBondContact O-N 2.83Å; R110-W114 VanDerWaalsContact O-N 3.09Å |
| 111 | S | 96.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 90 Ų | 90 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -52.1 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | S107 L108 S109 T113 W114 F115 | S107-S111 PolarHBondContact O-N 3.43Å; S107-S111 VanDerWaalsContact O-N 3.13Å; S107-S111 PolarHBondContact O-OG 2.88Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 VanDerWaalsContact O-N 3.11Å; S109-S111 VanDerWaalsContact C-N 3.29Å; S109-S111 PolarHBondContact O-N 2.83Å; S111-T113 PolarHBondContact O-N 3.41Å; S111-W114 WeakPolarHBondContact O-CB 2.98Å; S111-W114 PolarHBondContact O-N 2.92Å; S111-W114 VanDerWaalsContact O-N 3.14Å; S111-F115 WeakPolarHBondContact O-CD2 3.24Å; S111-F115 PolarHBondContact O-N 3.44Å |
| 112 | V | 97.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 93.9 Ų | 93.9 | 38% | 0.382 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.1 | L108 S109 W114 F115 L116 | L108-V112 HydrophobicContact CD1-CG2 4.01Å; L108-V112 HydrophobicContact CG-CG2 4.09Å; L108-V112 WeakPolarHBondContact O-CB 3.42Å; L108-V112 VanDerWaalsContact O-CG2 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.31Å; S109-V112 PolarHBondContact O-N 3.42Å; V112-W114 VanDerWaalsContact C-N 3.33Å; V112-W114 PolarHBondContact O-N 3.38Å; V112-F115 PolarHBondContact O-N 2.82Å; V112-L116 HydrophobicContact CG1-CD1 3.69Å; V112-L116 HydrophobicContact CG1-CG 4.03Å; V112-L116 WeakPolarHBondContact O-CB 3.24Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.24Å |
| 113 | T | 97.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 91.7 Ų | 91.7 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 111 | S109 S111 L116 V117 | S109-T113 VanDerWaalsContact O-CB 3.23Å; S109-T113 WeakPolarHBondContact O-CB 3.45Å; S109-T113 PolarHBondContact O-N 2.85Å; S109-T113 PolarHBondContact O-OG1 2.96Å; S111-T113 PolarHBondContact O-N 3.41Å; T113-L116 PolarHBondContact O-N 2.83Å; T113-V117 HydrophobicContact CG2-CG2 4.14Å; T113-V117 VanDerWaalsContact O-CB 3.29Å; T113-V117 WeakPolarHBondContact O-CB 3.44Å; T113-V117 WeakPolarHBondContact O-CG2 3.27Å; T113-V117 PolarHBondContact O-N 2.72Å |
| 114 | W | 96.6 | Very high | 96.2 | Very high | 180 Ų | 180 | 91.9 Ų | 91.9 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 175.8 | -177.3 | -103.9 | 0 | 0 | 0 | 112.4 | R110 S111 V112 S118 | R110-W114 WeakPolarHBondContact O-CB 3.31Å; R110-W114 PolarHBondContact O-N 2.83Å; R110-W114 VanDerWaalsContact O-N 3.09Å; S111-W114 WeakPolarHBondContact O-CB 2.98Å; S111-W114 PolarHBondContact O-N 2.92Å; S111-W114 VanDerWaalsContact O-N 3.14Å; V112-W114 VanDerWaalsContact C-N 3.33Å; V112-W114 PolarHBondContact O-N 3.38Å; W114-S118 WeakPolarHBondContact O-CB 3.36Å; W114-S118 PolarHBondContact O-N 2.92Å; W114-S118 PolarHBondContact O-OG 2.88Å |
| 115 | F | 96.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 93.5 Ų | 93.5 | 61% | 0.605 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 176.6 | -75.3 | -66.6 | 0 | 0 | 0 | 112.2 | S111 V112 S118 T119 | S111-F115 WeakPolarHBondContact O-CD2 3.24Å; S111-F115 PolarHBondContact O-N 3.44Å; V112-F115 PolarHBondContact O-N 2.82Å; F115-S118 PolarHBondContact O-N 3.49Å; F115-T119 VanDerWaalsContact O-CB 3.26Å; F115-T119 WeakPolarHBondContact O-CB 3.24Å; F115-T119 PolarHBondContact O-N 2.77Å; F115-T119 PolarHBondContact O-OG1 3.37Å |
| 116 | L | 97.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 179 | -73.6 | 177.7 | 0 | 0 | 0 | 111 | V112 T113 S118 T119 T120 | V112-L116 HydrophobicContact CG1-CD1 3.69Å; V112-L116 HydrophobicContact CG1-CG 4.03Å; V112-L116 WeakPolarHBondContact O-CB 3.24Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.24Å; T113-L116 PolarHBondContact O-N 2.83Å; L116-S118 VanDerWaalsContact C-N 3.28Å; L116-S118 PolarHBondContact O-N 3.38Å; L116-T119 PolarHBondContact O-N 3.24Å; L116-T120 WeakPolarHBondContact O-CB 3.48Å; L116-T120 PolarHBondContact O-N 2.86Å; L116-T120 PolarHBondContact O-OG1 2.69Å |
| 117 | V | 97.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 93.5 Ų | 93.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | T113 T121 | T113-V117 HydrophobicContact CG2-CG2 4.14Å; T113-V117 VanDerWaalsContact O-CB 3.29Å; T113-V117 WeakPolarHBondContact O-CB 3.44Å; T113-V117 WeakPolarHBondContact O-CG2 3.27Å; T113-V117 PolarHBondContact O-N 2.72Å; V117-T121 VanDerWaalsContact O-CB 3.31Å; V117-T121 WeakPolarHBondContact O-CB 3.5Å; V117-T121 PolarHBondContact O-N 2.81Å; V117-T121 PolarHBondContact O-OG1 3.25Å |
| 118 | S | 97.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 94.2 Ų | 94.2 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | W114 F115 L116 T121 I122 | W114-S118 WeakPolarHBondContact O-CB 3.36Å; W114-S118 PolarHBondContact O-N 2.92Å; W114-S118 PolarHBondContact O-OG 2.88Å; F115-S118 PolarHBondContact O-N 3.49Å; L116-S118 VanDerWaalsContact C-N 3.28Å; L116-S118 PolarHBondContact O-N 3.38Å; S118-T121 PolarHBondContact O-N 3.35Å; S118-I122 WeakPolarHBondContact O-CG1 3.35Å; S118-I122 PolarHBondContact O-N 3.38Å; S118-I122 VanDerWaalsContact O-N 3.1Å |
| 119 | T | 96.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 93.8 Ų | 93.8 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | -178.1 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | F115 L116 T121 I122 C123 | F115-T119 VanDerWaalsContact O-CB 3.26Å; F115-T119 WeakPolarHBondContact O-CB 3.24Å; F115-T119 PolarHBondContact O-N 2.77Å; F115-T119 PolarHBondContact O-OG1 3.37Å; L116-T119 PolarHBondContact O-N 3.24Å; T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 2.85Å; T119-I122 PolarHBondContact O-N 2.82Å; T119-C123 WeakPolarHBondContact O-CB 3.28Å; T119-C123 PolarHBondContact O-N 2.8Å; T119-C123 PolarHBondContact O-SG 3.47Å; T119-C123 VanDerWaalsContact O-SG 3.36Å |
| 120 | T | 96.1 | Very high | 95 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 175.8 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | L116 I122 C123 F124 | L116-T120 WeakPolarHBondContact O-CB 3.48Å; L116-T120 PolarHBondContact O-N 2.86Å; L116-T120 PolarHBondContact O-OG1 2.69Å; T120-I122 PolarHBondContact O-N 2.91Å; T120-C123 PolarHBondContact O-N 2.92Å; T120-F124 HydrophobicContact CG2-CD2 3.42Å; T120-F124 VanDerWaalsContact CG2-CD2 3.42Å; T120-F124 HydrophobicContact CG2-CE2 3.78Å; T120-F124 HydrophobicContact CG2-CG 4.13Å; T120-F124 WeakPolarHBondContact O-CB 3.3Å; T120-F124 VanDerWaalsContact O-CD2 3.23Å; T120-F124 WeakPolarHBondContact O-CD2 3.27Å; T120-F124 PolarHBondContact O-N 3.19Å |
| 121 | T | 96.2 | Very high | 94.7 | Very high | 79 Ų | 79 | 94 Ų | 94 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | -179.6 | -56.9 | 0 | 0 | 0 | 0 | 112 | V117 S118 T119 C123 L125 | V117-T121 VanDerWaalsContact O-CB 3.31Å; V117-T121 WeakPolarHBondContact O-CB 3.5Å; V117-T121 PolarHBondContact O-N 2.81Å; V117-T121 PolarHBondContact O-OG1 3.25Å; S118-T121 PolarHBondContact O-N 3.35Å; T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 2.85Å; T121-C123 PolarHBondContact O-N 3.48Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 PolarHBondContact O-N 3.43Å; T121-L125 VanDerWaalsContact O-N 3.09Å |
| 122 | I | 95.2 | Very high | 94.2 | Very high | 128 Ų | 128 | 96 Ų | 96 | 66% | 0.656 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | -179.1 | -65.6 | 166 | 0 | 0 | 0 | 111.6 | S118 T119 T120 P126 | S118-I122 WeakPolarHBondContact O-CG1 3.35Å; S118-I122 PolarHBondContact O-N 3.38Å; S118-I122 VanDerWaalsContact O-N 3.1Å; T119-I122 PolarHBondContact O-N 2.82Å; T120-I122 PolarHBondContact O-N 2.91Å; I122-P126 WeakPolarHBondContact O-CD 3.09Å |
| 123 | C | 94.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 52% | 0.52 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82 | -40.9 | -177.8 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | T119 T120 T121 | T119-C123 WeakPolarHBondContact O-CB 3.28Å; T119-C123 PolarHBondContact O-N 2.8Å; T119-C123 PolarHBondContact O-SG 3.47Å; T119-C123 VanDerWaalsContact O-SG 3.36Å; T120-C123 PolarHBondContact O-N 2.92Å; T121-C123 PolarHBondContact O-N 3.48Å |
| 124 | F | 93 | Very high | 92.8 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -82.5 | -29.1 | -175.1 | -76.8 | -95.3 | 0 | 0 | 0 | 112.9 | T120 L127 I128 | T120-F124 HydrophobicContact CG2-CD2 3.42Å; T120-F124 VanDerWaalsContact CG2-CD2 3.42Å; T120-F124 HydrophobicContact CG2-CE2 3.78Å; T120-F124 HydrophobicContact CG2-CG 4.13Å; T120-F124 WeakPolarHBondContact O-CB 3.3Å; T120-F124 VanDerWaalsContact O-CD2 3.23Å; T120-F124 WeakPolarHBondContact O-CD2 3.27Å; T120-F124 PolarHBondContact O-N 3.19Å; F124-L127 HydrophobicContact CD1-CD2 4.48Å; F124-L127 PolarHBondContact O-N 2.89Å; F124-I128 HydrophobicContact CB-CD1 3.96Å; F124-I128 HydrophobicContact CB-CG1 4.49Å; F124-I128 WeakPolarHBondContact O-CB 3.3Å; F124-I128 VanDerWaalsContact O-CG1 3.23Å; F124-I128 WeakPolarHBondContact O-CG1 3.38Å; F124-I128 PolarHBondContact O-N 3.43Å |
| 125 | L | 92.8 | Very high | 92 | Very high | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.9 | -48.4 | 179.8 | -179 | 73.1 | 0 | 0 | 0 | 112.2 | T121 L129 | T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 PolarHBondContact O-N 3.43Å; T121-L125 VanDerWaalsContact O-N 3.09Å; L125-L129 HydrophobicContact CD1-CD1 4.5Å; L125-L129 HydrophobicContact CG-CD1 4.35Å; L125-L129 WeakPolarHBondContact O-CB 3.39Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 3.43Å; L125-L129 VanDerWaalsContact O-N 3.13Å |
| 126 | P | 91.2 | Very high | 91.1 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 51% | 0.506 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 173.7 | -21.2 | 33.5 | 0 | 0 | 0 | 113 | I122 L129 E130 | I122-P126 WeakPolarHBondContact O-CD 3.09Å; P126-L129 PolarHBondContact O-N 2.71Å; P126-E130 PolarHBondContact O-N 3.43Å |
| 127 | L | 92.5 | Very high | 90.3 | Very high | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | -177.2 | -177.1 | 146.3 | 0 | 0 | 0 | 112.2 | F124 E130 L131 | F124-L127 HydrophobicContact CD1-CD2 4.48Å; F124-L127 PolarHBondContact O-N 2.89Å; L127-E130 PolarHBondContact O-N 3.42Å; L127-L131 PolarHBondContact O-N 3.29Å; L127-L131 VanDerWaalsContact O-N 3.15Å |
| 128 | I | 92.4 | Very high | 89.4 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 42% | 0.415 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 177.6 | -65.9 | 164.3 | 0 | 0 | 0 | 110 | F124 E130 L131 E132 | F124-I128 HydrophobicContact CB-CD1 3.96Å; F124-I128 HydrophobicContact CB-CG1 4.49Å; F124-I128 WeakPolarHBondContact O-CB 3.3Å; F124-I128 VanDerWaalsContact O-CG1 3.23Å; F124-I128 WeakPolarHBondContact O-CG1 3.38Å; F124-I128 PolarHBondContact O-N 3.43Å; I128-E130 VanDerWaalsContact C-N 3.31Å; I128-E130 PolarHBondContact O-N 3.27Å; I128-L131 WeakPolarHBondContact O-CB 3.32Å; I128-L131 PolarHBondContact O-N 3.43Å; I128-L131 VanDerWaalsContact O-N 3.16Å; I128-E132 HydrophobicContact CG2-CG 4.18Å; I128-E132 WeakPolarHBondContact O-CG 3.28Å; I128-E132 PolarHBondContact O-N 3.49Å |
| 129 | L | 89.7 | Confident | 88.4 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 176.9 | -73.5 | 173.4 | 0 | 0 | 0 | 112.3 | L125 P126 R133 | L125-L129 HydrophobicContact CD1-CD1 4.5Å; L125-L129 HydrophobicContact CG-CD1 4.35Å; L125-L129 WeakPolarHBondContact O-CB 3.39Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 3.43Å; L125-L129 VanDerWaalsContact O-N 3.13Å; P126-L129 PolarHBondContact O-N 2.71Å; L129-R133 WeakPolarHBondContact O-CB 3.44Å; L129-R133 WeakPolarHBondContact O-CG 3.17Å; L129-R133 PolarHBondContact O-N 3.24Å |
| 130 | E | 91.9 | Very high | 87.5 | Confident | 131 Ų | 131 | 101.4 Ų | 101.4 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -41.8 | 173.7 | -167.7 | 64.7 | -161.1 | 0 | 0 | 111.4 | P126 L127 I128 R133 V134 | P126-E130 PolarHBondContact O-N 3.43Å; L127-E130 PolarHBondContact O-N 3.42Å; I128-E130 VanDerWaalsContact C-N 3.31Å; I128-E130 PolarHBondContact O-N 3.27Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-V134 WeakPolarHBondContact O-CG2 3.14Å; E130-V134 PolarHBondContact O-N 2.93Å; E130-V134 VanDerWaalsContact O-N 3.16Å |
| 131 | L | 89.8 | Confident | 86.6 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 178 | -178.2 | 62 | 0 | 0 | 0 | 112.5 | L127 I128 Q135 | L127-L131 PolarHBondContact O-N 3.29Å; L127-L131 VanDerWaalsContact O-N 3.15Å; I128-L131 WeakPolarHBondContact O-CB 3.32Å; I128-L131 PolarHBondContact O-N 3.43Å; I128-L131 VanDerWaalsContact O-N 3.16Å; L131-Q135 PolarHBondContact O-N 2.78Å |
| 132 | E | 86.4 | Confident | 85.6 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.9 | -71.8 | -69 | 157.3 | 0 | 0 | 111.3 | I128 V134 Q135 T136 | I128-E132 HydrophobicContact CG2-CG 4.18Å; I128-E132 WeakPolarHBondContact O-CG 3.28Å; I128-E132 PolarHBondContact O-N 3.49Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.9Å; E132-Q135 PolarHBondContact O-N 3.47Å; E132-Q135 VanDerWaalsContact O-N 3.11Å; E132-T136 WeakPolarHBondContact O-CG2 3.25Å; E132-T136 PolarHBondContact O-N 2.9Å; E132-T136 PolarHBondContact O-OG1 3.47Å |
| 133 | R | 85.8 | Confident | 84.8 | Confident | 167 Ų | 167 | 100.5 Ų | 100.5 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.5 | -49.6 | 176.9 | -71.8 | -98 | -175.1 | 162.1 | 1.4 | 111.2 | L129 E130 Q135 T136 E137 | L129-R133 WeakPolarHBondContact O-CB 3.44Å; L129-R133 WeakPolarHBondContact O-CG 3.17Å; L129-R133 PolarHBondContact O-N 3.24Å; E130-R133 PolarHBondContact O-N 3.27Å; R133-Q135 VanDerWaalsContact C-N 3.28Å; R133-Q135 PolarHBondContact O-N 3.34Å; R133-T136 WeakPolarHBondContact CA-OG1 3.23Å; R133-T136 PolarHBondContact O-N 3.39Å; R133-T136 PolarHBondContact O-OG1 2.86Å; R133-E137 PolarHBondContact O-N 3.38Å; R133-E137 VanDerWaalsContact O-N 3.15Å |
| 134 | V | 79.9 | Confident | 84 | Confident | 70 Ų | 70 | 102.1 Ų | 102.1 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | E130 E132 E138 | E130-V134 WeakPolarHBondContact O-CG2 3.14Å; E130-V134 PolarHBondContact O-N 2.93Å; E130-V134 VanDerWaalsContact O-N 3.16Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.9Å; V134-E138 PolarHBondContact O-N 3.29Å |
| 135 | Q | 79.3 | Confident | 83 | Confident | 88 Ų | 88 | 106 Ų | 106 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.4 | -35 | 177.8 | -69.1 | -166.5 | 13.7 | 0 | 0 | 113.5 | L131 E132 R133 Q139 | L131-Q135 PolarHBondContact O-N 2.78Å; E132-Q135 PolarHBondContact O-N 3.47Å; E132-Q135 VanDerWaalsContact O-N 3.11Å; R133-Q135 VanDerWaalsContact C-N 3.28Å; R133-Q135 PolarHBondContact O-N 3.34Å; Q135-Q139 WeakPolarHBondContact O-CB 3.33Å; Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.36Å; Q135-Q139 PolarHBondContact O-N 3.43Å |
| 136 | T | 78.9 | Confident | 81.9 | Confident | 64 Ų | 64 | 103.8 Ų | 103.8 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 112 | E132 R133 Q139 E140 | E132-T136 WeakPolarHBondContact O-CG2 3.25Å; E132-T136 PolarHBondContact O-N 2.9Å; E132-T136 PolarHBondContact O-OG1 3.47Å; R133-T136 WeakPolarHBondContact CA-OG1 3.23Å; R133-T136 PolarHBondContact O-N 3.39Å; R133-T136 PolarHBondContact O-OG1 2.86Å; T136-Q139 PolarHBondContact O-N 2.89Å; T136-E140 WeakPolarHBondContact O-CG 3.49Å; T136-E140 PolarHBondContact O-N 3.34Å |
| 137 | E | 79.8 | Confident | 80.5 | Confident | 134 Ų | 134 | 106.5 Ų | 106.5 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 178.3 | -68.6 | 179.4 | 178.3 | 0 | 0 | 112 | R133 A141 | R133-E137 PolarHBondContact O-N 3.38Å; R133-E137 VanDerWaalsContact O-N 3.15Å; E137-A141 WeakPolarHBondContact O-CB 3.2Å; E137-A141 PolarHBondContact O-N 3.44Å |
| 138 | E | 77.6 | Confident | 79 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 177.1 | -71.4 | -172.8 | 165.6 | 0 | 0 | 112 | V134 A141 V142 | V134-E138 PolarHBondContact O-N 3.29Å; E138-A141 PolarHBondContact O-N 3.45Å; E138-V142 WeakPolarHBondContact O-CB 3.46Å; E138-V142 VanDerWaalsContact O-CG2 3.23Å; E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 3.26Å |
| 139 | Q | 75.7 | Confident | 77.5 | Confident | 111 Ų | 111 | 110.8 Ų | 110.8 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 178.7 | -74.3 | -174 | 37.1 | 0 | 0 | 112.4 | Q135 T136 V142 Q143 | Q135-Q139 WeakPolarHBondContact O-CB 3.33Å; Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.36Å; Q135-Q139 PolarHBondContact O-N 3.43Å; T136-Q139 PolarHBondContact O-N 2.89Å; Q139-V142 PolarHBondContact O-N 2.89Å; Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 VanDerWaalsContact O-CG 3.31Å; Q139-Q143 WeakPolarHBondContact O-CG 3.36Å; Q139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | E | 79.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 107.6 Ų | 107.6 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.6 | -71.8 | -177.4 | -179.2 | 0 | 0 | 111.5 | T136 V142 Q143 Q144 | T136-E140 WeakPolarHBondContact O-CG 3.49Å; T136-E140 PolarHBondContact O-N 3.34Å; E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.49Å; E140-Q143 PolarHBondContact O-N 3.29Å; E140-Q144 WeakPolarHBondContact O-CB 3.36Å; E140-Q144 VanDerWaalsContact O-CG 3.24Å; E140-Q144 WeakPolarHBondContact O-CG 3.37Å; E140-Q144 PolarHBondContact O-N 3.35Å |
| 141 | A | 76.2 | Confident | 74.8 | Confident | 37 Ų | 37 | 107.9 Ų | 107.9 | 31% | 0.306 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E137 E138 R145 | E137-A141 WeakPolarHBondContact O-CB 3.2Å; E137-A141 PolarHBondContact O-N 3.44Å; E138-A141 PolarHBondContact O-N 3.45Å; A141-R145 WeakPolarHBondContact O-CB 3.36Å; A141-R145 WeakPolarHBondContact O-CG 3.47Å; A141-R145 PolarHBondContact O-N 2.87Å |
| 142 | V | 75.4 | Confident | 73.2 | Confident | 91 Ų | 91 | 114.9 Ų | 114.9 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.1 | -40.7 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | E138 Q139 E140 R145 A146 | E138-V142 WeakPolarHBondContact O-CB 3.46Å; E138-V142 VanDerWaalsContact O-CG2 3.23Å; E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 3.26Å; Q139-V142 PolarHBondContact O-N 2.89Å; E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.49Å; V142-R145 PolarHBondContact O-N 2.75Å; V142-A146 VanDerWaalsContact O-CB 3.3Å; V142-A146 WeakPolarHBondContact O-CB 3.45Å; V142-A146 PolarHBondContact O-N 3.42Å |
| 143 | Q | 78.3 | Confident | 71.7 | Confident | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 175.3 | -73.6 | 179.2 | 21.9 | 0 | 0 | 112.1 | Q139 E140 R145 A146 M147 | Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 VanDerWaalsContact O-CG 3.31Å; Q139-Q143 WeakPolarHBondContact O-CG 3.36Å; Q139-Q143 PolarHBondContact O-N 3.29Å; E140-Q143 PolarHBondContact O-N 3.29Å; Q143-R145 VanDerWaalsContact C-N 3.3Å; Q143-R145 PolarHBondContact O-N 3.3Å; Q143-A146 CarbonylContact O-C 3.59Å; Q143-A146 PolarHBondContact O-N 3.37Å; Q143-M147 WeakPolarHBondContact O-CB 3.41Å; Q143-M147 WeakPolarHBondContact O-CG 3.4Å; Q143-M147 PolarHBondContact O-N 2.95Å |
| 144 | Q | 78.3 | Confident | 70.2 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 51% | 0.514 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -38.3 | 173.8 | -72.3 | 178.8 | 13.1 | 0 | 0 | 111.4 | E140 M147 M148 | E140-Q144 WeakPolarHBondContact O-CB 3.36Å; E140-Q144 VanDerWaalsContact O-CG 3.24Å; E140-Q144 WeakPolarHBondContact O-CG 3.37Å; E140-Q144 PolarHBondContact O-N 3.35Å; Q144-M147 HydrophobicContact CB-CE 4.09Å; Q144-M147 HydrophobicContact CG-CE 3.8Å; Q144-M147 WeakPolarHBondContact O-CG 3.47Å; Q144-M148 WeakPolarHBondContact O-CB 3.16Å; Q144-M148 PolarHBondContact O-N 3.18Å; Q144-M148 VanDerWaalsContact O-N 3.1Å |
| 145 | R | 72.5 | Confident | 69.1 | Low | 187 Ų | 187 | 110 Ų | 110 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.4 | -39.4 | 172.3 | -73 | 172.9 | -175.8 | 170.5 | 4.3 | 112 | A141 V142 Q143 L149 | A141-R145 WeakPolarHBondContact O-CB 3.36Å; A141-R145 WeakPolarHBondContact O-CG 3.47Å; A141-R145 PolarHBondContact O-N 2.87Å; V142-R145 PolarHBondContact O-N 2.75Å; Q143-R145 VanDerWaalsContact C-N 3.3Å; Q143-R145 PolarHBondContact O-N 3.3Å; R145-L149 WeakPolarHBondContact O-CB 3.35Å; R145-L149 PolarHBondContact O-N 2.99Å |
| 146 | A | 68.9 | Low | 67.9 | Low | 59 Ų | 59 | 109 Ų | 109 | 49% | 0.488 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.7 | -29.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V142 Q143 L149 | V142-A146 VanDerWaalsContact O-CB 3.3Å; V142-A146 WeakPolarHBondContact O-CB 3.45Å; V142-A146 PolarHBondContact O-N 3.42Å; Q143-A146 CarbonylContact O-C 3.59Å; Q143-A146 PolarHBondContact O-N 3.37Å; A146-L149 CarbonylContact O-C 3.39Å; A146-L149 VanDerWaalsContact O-O 3.08Å |
| 147 | M | 62.8 | Low | 66.6 | Low | 135 Ų | 135 | 111.5 Ų | 111.5 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -80 | -33.5 | 176.3 | 80.1 | -174.8 | -172.4 | 0 | 0 | 112.2 | Q143 Q144 | Q143-M147 WeakPolarHBondContact O-CB 3.41Å; Q143-M147 WeakPolarHBondContact O-CG 3.4Å; Q143-M147 PolarHBondContact O-N 2.95Å; Q144-M147 HydrophobicContact CB-CE 4.09Å; Q144-M147 HydrophobicContact CG-CE 3.8Å; Q144-M147 WeakPolarHBondContact O-CG 3.47Å |
| 148 | M | 61 | Low | 65.4 | Low | 168 Ų | 168 | 111 Ų | 111 | 83% | 0.828 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.8 | -28.3 | 172.7 | -80.5 | -143.9 | 174.7 | 0 | 0 | 113 | Q144 G150 | Q144-M148 WeakPolarHBondContact O-CB 3.16Å; Q144-M148 PolarHBondContact O-N 3.18Å; Q144-M148 VanDerWaalsContact O-N 3.1Å; M148-G150 PolarHBondContact O-N 2.88Å |
| 149 | L | 60 | Low | 64 | Low | 109 Ų | 109 | 108.4 Ų | 108.4 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -103.1 | 65.2 | 175 | -142 | 86.9 | 0 | 0 | 0 | 107 | R145 A146 A153 | R145-L149 WeakPolarHBondContact O-CB 3.35Å; R145-L149 PolarHBondContact O-N 2.99Å; A146-L149 CarbonylContact O-C 3.39Å; A146-L149 VanDerWaalsContact O-O 3.08Å; L149-A153 HydrophobicContact CB-CB 4.22Å; L149-A153 HydrophobicContact CD1-CB 4.49Å; L149-A153 HydrophobicContact CD2-CB 3.38Å; L149-A153 HydrophobicContact CG-CB 3.36Å |
| 150 | G | 63.2 | Low | 62.8 | Low | 32 Ų | 32 | 111.7 Ų | 111.7 | 33% | 0.33 | 67% | 0.67 | S | S | . | * | trans | -45.3 | 163.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M148 R152 A153 | M148-G150 PolarHBondContact O-N 2.88Å; G150-R152 PolarHBondContact O-N 2.7Å; G150-A153 PolarHBondContact O-N 3.29Å; G150-A153 VanDerWaalsContact O-N 3.15Å | ||
| 151 | P | 61.8 | Low | 61.4 | Low | 136 Ų | 136 | 111.2 Ų | 111.2 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.9 | -1.4 | -157.9 | -31 | 33.9 | 0 | 0 | 0 | 120.2 | ||
| 152 | R | 55.8 | Low | 59.8 | Low | 245 Ų | 245 | 112.7 Ų | 112.7 | 93% | 0.925 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -5 | -179.1 | -62.4 | 177.1 | 65.8 | 124.1 | -0.1 | 114.8 | G150 | G150-R152 PolarHBondContact O-N 2.7Š|
| 153 | A | 54.5 | Low | 58.8 | Low | 54 Ų | 54 | 117.6 Ų | 117.6 | 45% | 0.446 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -101.7 | -14.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L149 G150 G155 | L149-A153 HydrophobicContact CB-CB 4.22Å; L149-A153 HydrophobicContact CD1-CB 4.49Å; L149-A153 HydrophobicContact CD2-CB 3.38Å; L149-A153 HydrophobicContact CG-CB 3.36Å; G150-A153 PolarHBondContact O-N 3.29Å; G150-A153 VanDerWaalsContact O-N 3.15Å; A153-G155 VanDerWaalsContact C-N 3.33Å |
| 154 | A | 56.3 | Low | 57.7 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -88.5 | 6.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 155 | G | 56.5 | Low | 56.6 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -99.5 | 15.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | A153 | A153-G155 VanDerWaalsContact C-N 3.33Š| ||
| 156 | G | 53.1 | Low | 55.8 | Low | 66 Ų | 66 | 112.5 Ų | 112.5 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -125.2 | 124.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 157 | S | 52.5 | Low | 55.6 | Low | 117 Ų | 117 | 116.2 Ų | 116.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 94 | 78 | 178.5 | -156.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 158 | S | 54.7 | Low | 55.7 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 42.7 | 108.7 | 82.1 | -65.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 159 | G | 48.5 | Very low | 55.9 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 125.8 | 39.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 160 | L | 48.9 | Very low | 56.2 | Low | 181 Ų | 181 | 117.7 Ų | 117.7 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -156.7 | 123.4 | 151.1 | -147.8 | 82.4 | 0 | 0 | 0 | 111.9 | ||||
| 161 | A | 49.7 | Very low | 56.6 | Low | 107 Ų | 107 | 121.1 Ų | 121.1 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -85.9 | 137.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 162 | G | 44 | Very low | 56.9 | Low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 130.4 | 108.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 163 | F | 53.2 | Low | 57.8 | Low | 195 Ų | 195 | 118.7 Ų | 118.7 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 77.4 | 95.2 | 176.1 | 126.3 | -90.1 | 0 | 0 | 0 | 115.9 | ||||
| 164 | S | 54.9 | Low | 58.4 | Low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -140.4 | 101.3 | 156.3 | -77.8 | 0 | 0 | 0 | 0 | 106.1 | A166 | S164-A166 PolarHBondContact O-N 3.47Š| ||
| 165 | A | 56.5 | Low | 58.8 | Low | 93 Ų | 93 | 124.8 Ų | 124.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -66 | 112.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | V167 | A165-V167 PolarHBondContact O-N 3.29Š| ||
| 166 | A | 54.9 | Low | 59 | Low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -59.9 | 128.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | S164 | S164-A166 PolarHBondContact O-N 3.47Š| ||
| 167 | V | 65.7 | Low | 59.3 | Low | 137 Ų | 137 | 137.5 Ų | 137.5 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -125.8 | 123.6 | 162.8 | -121.2 | 0 | 0 | 0 | 0 | 108.2 | A165 | A165-V167 PolarHBondContact O-N 3.29Š| ||
| 168 | P | 64.7 | Low | 59.6 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -77 | 136.4 | -166.8 | 29 | -33.8 | 0 | 0 | 0 | 112.9 | L170 | P168-L170 PolarHBondContact O-N 3.48Š| ||
| 169 | H | 63.9 | Low | 59.9 | Low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -73 | 110.6 | 172.3 | 172.7 | 71.2 | 0 | 0 | 0 | 110.2 | ||||
| 170 | L | 67.4 | Low | 60.6 | Low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 122.6 | 168 | -74.2 | 177 | 0 | 0 | 0 | 110.4 | P168 | P168-L170 PolarHBondContact O-N 3.48Š|
| 171 | T | 71.4 | Confident | 61.3 | Low | 103 Ų | 103 | 140.9 Ų | 140.9 | 63% | 0.632 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.8 | -177.6 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 172 | H | 67.9 | Low | 62.1 | Low | 184 Ų | 184 | 143.2 Ų | 143.2 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 126.5 | 167.4 | -176.7 | -89.4 | 0 | 0 | 0 | 110.1 | ||
| 173 | I | 74.7 | Confident | 63.4 | Low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 137 | 176 | -79 | 165.3 | 0 | 0 | 0 | 109.7 | ||
| 174 | E | 66.7 | Low | 64.2 | Low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 169.8 | -178.3 | -114.4 | -157.8 | 66.1 | 0 | 0 | 116.2 | ||
| 175 | P | 65.5 | Low | 64.9 | Low | 107 Ų | 107 | 146.9 Ų | 146.9 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -105.1 | -176 | -157.7 | 44.7 | -39.9 | 0 | 0 | 0 | 115.3 | ||||
| 176 | K | 59.8 | Low | 65.7 | Low | 275 Ų | 275 | 151.8 Ų | 151.8 | 100% | 1.196 | 81% | 0.814 | S | S | * | * | trans | -134.2 | 0 | 149.1 | 177.3 | 171.4 | 175.7 | 170 | 0 | 109.4 |
Retrieved 176 of 176 residues in 58.4 ms
(Link to these results)