| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.6 | Very low | 32.5 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 100% | 1.177 | 86% | 0.858 | S | S | * | * | 0 | 105.3 | 0 | -62 | 160.3 | -175.7 | 0 | 0 | 105.2 | |||||
| 2 | A | 32.8 | Very low | 32.6 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 85% | 0.848 | S | S | * | * | 74.4 | 103 | 53.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 3 | S | 33.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 92% | 0.923 | 85% | 0.849 | S | S | * | * | trans | -140.8 | 133.7 | 153.1 | -79.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | S | 34.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -98 | 142.8 | -169.9 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 5 | A | 32.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 130.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 6 | S | 34.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 162.3 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 7 | L | 33.9 | Very low | 31.7 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 150.8 | 178.8 | -57.8 | 94.1 | 0 | 0 | 0 | 112.2 | ||
| 8 | E | 30.7 | Very low | 31.5 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -165.4 | 139.7 | 130.2 | -103.7 | 167.5 | -174.7 | 0 | 0 | 107.1 | ||||
| 9 | T | 30.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 66% | 0.656 | 84% | 0.843 | S | S | * | * | cis | 128.2 | 89.5 | 3.1 | -67.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | M | 28.6 | Very low | 30.8 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 88% | 0.877 | 85% | 0.847 | S | S | * | * | trans | 55.3 | 138.4 | 157.5 | -53.6 | -170.8 | 179.1 | 0 | 0 | 118.5 | ||||
| 11 | V | 31.3 | Very low | 30.8 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | -160.3 | 147.1 | 60 | 159.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 12 | P | 34.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -93.2 | 145.6 | 179.9 | 35.3 | -34.7 | 0 | 0 | 0 | 115.1 | ||||
| 13 | P | 30 | Very low | 30.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -84.1 | 165.6 | 169.4 | 34.9 | -34.9 | 0 | 0 | 0 | 113.2 | ||||
| 14 | A | 30.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -112.7 | 148.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 15 | C | 25.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 127 Ų | 127 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -175.6 | 168.7 | 166 | -109.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 16 | P | 31.1 | Very low | 30.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | -133.5 | -178.6 | -52.1 | 37.1 | -19.9 | 0 | 0 | 0 | 113.3 | |||||
| 17 | R | 30.1 | Very low | 30.8 | Very low | 245 Ų | 245 | 131.6 Ų | 131.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 159.1 | 159.5 | -94.7 | -175.5 | 173 | -165.2 | 0.7 | 109.7 | ||||
| 18 | A | 27.7 | Very low | 31.2 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | cis | -159.3 | 171.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | G | 24.2 | Very low | 31.4 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -151.3 | 152.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 20 | A | 24.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 126 Ų | 126 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 21 | S | 30.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -100.3 | 168.8 | -175.4 | -159.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 22 | P | 38 | Very low | 32.9 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -144 | 175.1 | 88.8 | 36.6 | -19.3 | 0 | 0 | 0 | 116.8 | |||||
| 23 | A | 28.1 | Very low | 33 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | -31.6 | 149.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 24 | T | 32.4 | Very low | 33.5 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | -163 | 127.2 | 59.5 | 37.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 25 | S | 34.6 | Very low | 34.2 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -163.6 | -0.5 | 165.7 | -88.4 | 0 | 0 | 0 | 0 | 116.5 | T27 | S25-T27 PolarHBondContact O-N 2.89Š| ||
| 26 | K | 33.1 | Very low | 34.9 | Very low | 189 Ų | 189 | 117.8 Ų | 117.8 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -12.3 | -167.6 | -65.6 | -174.7 | 176.3 | -178.5 | 0 | 115.7 | ||
| 27 | T | 37.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -20.9 | -171.9 | -31.2 | 0 | 0 | 0 | 0 | 114.9 | S25 | S25-T27 PolarHBondContact O-N 2.89Š|
| 28 | L | 42.4 | Very low | 35.7 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -32.9 | -172.1 | -89.2 | 164.2 | 0 | 0 | 0 | 114.6 | F30 S31 | L28-F30 PolarHBondContact O-N 2.68Å; L28-S31 WeakPolarHBondContact O-CB 3.05Å; L28-S31 PolarHBondContact O-N 3.22Å; L28-S31 VanDerWaalsContact O-N 3.16Å |
| 29 | A | 35.7 | Very low | 36.2 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -58.8 | -50.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S31 I32 | A29-S31 PolarHBondContact O-N 3.22Å; A29-I32 PolarHBondContact O-N 2.89Å |
| 30 | F | 33.2 | Very low | 36.7 | Very low | 153 Ų | 153 | 110.8 Ų | 110.8 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.9 | -13.2 | 177 | -78 | -76.3 | 0 | 0 | 0 | 115.3 | L28 R34 | L28-F30 PolarHBondContact O-N 2.68Å; F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.44Å |
| 31 | S | 41.9 | Very low | 37 | Very low | 61 Ų | 61 | 112.6 Ų | 112.6 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -83.3 | -27.1 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | L28 A29 I35 | L28-S31 WeakPolarHBondContact O-CB 3.05Å; L28-S31 PolarHBondContact O-N 3.22Å; L28-S31 VanDerWaalsContact O-N 3.16Å; A29-S31 PolarHBondContact O-N 3.22Å; S31-I35 VanDerWaalsContact O-CD1 3.28Å; S31-I35 WeakPolarHBondContact O-CD1 3.34Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å |
| 32 | I | 44.6 | Very low | 36.9 | Very low | 70 Ų | 70 | 113.6 Ų | 113.6 | 36% | 0.359 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -85.6 | -48.9 | -172.3 | -62.9 | 175.3 | 0 | 0 | 0 | 110.9 | A29 R34 I35 M36 L402 | A29-I32 PolarHBondContact O-N 2.89Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.35Å; I32-I35 WeakPolarHBondContact O-CB 3.19Å; I32-I35 PolarHBondContact O-N 3.27Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.83Å; I32-M36 VanDerWaalsContact O-N 3.17Å; I32-L402 HydrophobicContact CD1-CD2 4.09Å |
| 33 | E | 37.4 | Very low | 36.7 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.4 | -40.2 | 176 | -65.6 | 175.9 | 159.7 | 0 | 0 | 111.4 | I35 M36 A37 | E33-I35 PolarHBondContact O-N 3.09Å; E33-M36 PolarHBondContact O-N 3.24Å; E33-A37 WeakPolarHBondContact O-CB 3.28Å; E33-A37 PolarHBondContact O-N 2.9Å |
| 34 | R | 40.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 119.4 Ų | 119.4 | 67% | 0.672 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -8.3 | 177.8 | -154.3 | 174.1 | -163.3 | 178.4 | 7.8 | 114.4 | F30 I32 K38 | F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.44Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.35Å; R34-K38 WeakPolarHBondContact O-CD 3.43Å; R34-K38 WeakPolarHBondContact O-CG 3.37Å |
| 35 | I | 44.4 | Very low | 36.5 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -89.7 | -41.1 | 166.8 | -71.8 | 166.5 | 0 | 0 | 0 | 110.1 | S31 I32 E33 | S31-I35 VanDerWaalsContact O-CD1 3.28Å; S31-I35 WeakPolarHBondContact O-CD1 3.34Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; I32-I35 WeakPolarHBondContact O-CB 3.19Å; I32-I35 PolarHBondContact O-N 3.27Å; E33-I35 PolarHBondContact O-N 3.09Å |
| 36 | M | 40.2 | Very low | 36.2 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 29% | 0.291 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69 | -47.9 | -179.7 | -60.7 | -76.6 | -85.1 | 0 | 0 | 112.3 | I32 E33 K38 T39 M406 | I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.83Å; I32-M36 VanDerWaalsContact O-N 3.17Å; E33-M36 PolarHBondContact O-N 3.24Å; M36-K38 VanDerWaalsContact C-N 3.27Å; M36-K38 PolarHBondContact O-N 2.9Å; M36-T39 PolarHBondContact O-N 3.44Å; M36-T39 VanDerWaalsContact O-N 3.07Å; M36-T39 PolarHBondContact O-OG1 3.13Å; M36-M406 HydrophobicContact CE-CB 4.46Å |
| 37 | A | 39.3 | Very low | 35.9 | Very low | 34 Ų | 34 | 123 Ų | 123 | 28% | 0.281 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -59.4 | -36.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E33 T39 S40 | E33-A37 WeakPolarHBondContact O-CB 3.28Å; E33-A37 PolarHBondContact O-N 2.9Å; A37-T39 PolarHBondContact O-N 3.22Å; A37-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 2.77Å |
| 38 | K | 40.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -68.6 | 3 | 177.5 | -73.3 | -176.3 | 179.5 | 171.3 | 0 | 115.1 | R34 M36 | R34-K38 WeakPolarHBondContact O-CD 3.43Å; R34-K38 WeakPolarHBondContact O-CG 3.37Å; M36-K38 VanDerWaalsContact C-N 3.27Å; M36-K38 PolarHBondContact O-N 2.9Å |
| 39 | T | 36.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -117.2 | 7.1 | 173.3 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | M36 A37 | M36-T39 PolarHBondContact O-N 3.44Å; M36-T39 VanDerWaalsContact O-N 3.07Å; M36-T39 PolarHBondContact O-OG1 3.13Å; A37-T39 PolarHBondContact O-N 3.22Å |
| 40 | S | 36.2 | Very low | 34.4 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 5.3 | -172.2 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | A37 | A37-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 2.77Å |
| 41 | E | 29.4 | Very low | 34.1 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -102.9 | 112.7 | -179.9 | -73.4 | 168.9 | -168.4 | 0 | 0 | 111.7 | ||||
| 42 | P | 28.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.1 | 159.1 | 30.3 | -32.6 | 0 | 0 | 0 | 109 | A44 | P42-A44 PolarHBondContact O-N 2.63Š|
| 43 | R | 34.2 | Very low | 32.6 | Very low | 248 Ų | 248 | 134.1 Ų | 134.1 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117 | -171.7 | -152.9 | 178.7 | -171.7 | -148.7 | -2.9 | 110 | ||
| 44 | A | 28.2 | Very low | 32 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P42 | P42-A44 PolarHBondContact O-N 2.63Š|
| 45 | P | 28.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 153 | 168.3 | -21.2 | 33.6 | 0 | 0 | 0 | 111.7 | ||
| 46 | F | 28.5 | Very low | 30.4 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 116.4 | 172.4 | -124.9 | -93.7 | 0 | 0 | 0 | 108.2 | ||
| 47 | E | 26 | Very low | 29.7 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.6 | 168.5 | -67.8 | -167.8 | 148.1 | 0 | 0 | 110.5 | ||
| 48 | P | 28.1 | Very low | 29.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.2 | 168.6 | 33.2 | -30.6 | 0 | 0 | 0 | 110.5 | ||
| 49 | R | 26.7 | Very low | 28.5 | Very low | 247 Ų | 247 | 140.7 Ų | 140.7 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 130.7 | 170.7 | -141.3 | 174.2 | -162.4 | -103.1 | 2.2 | 109.6 | ||
| 50 | P | 30.1 | Very low | 27.9 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 169.7 | -170.2 | 36.9 | -37.5 | 0 | 0 | 0 | 114.5 | ||
| 51 | G | 27.5 | Very low | 27.7 | Very low | 80 Ų | 80 | 144.6 Ų | 144.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 105.2 | 138.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 52 | A | 25.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | cis | -152.7 | -179.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | L | 27.8 | Very low | 27.5 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -73.9 | 153.5 | 174 | -66.5 | 85.2 | 0 | 0 | 0 | 111.3 | ||||
| 54 | E | 25.1 | Very low | 27.2 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | -160.3 | 157.5 | 118.7 | -99.1 | -48.5 | 108.8 | 0 | 0 | 108.9 | |||||
| 55 | A | 27 | Very low | 27 | Very low | 91 Ų | 91 | 149 Ų | 149 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -149.9 | 101.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 56 | D | 25.4 | Very low | 26.9 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 94% | 0.941 | 83% | 0.834 | S | S | * | * | trans | -159.3 | 160.8 | 159.8 | -151.1 | 21.8 | 0 | 0 | 0 | 108 | ||||
| 57 | G | 24.8 | Very low | 26.7 | Very low | 45 Ų | 45 | 146.7 Ų | 146.7 | 46% | 0.464 | 83% | 0.83 | S | S | . | * | cis | -173 | 115 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 58 | S | 26.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | 69.4 | 163.9 | 161.4 | 82.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 59 | Q | 28.3 | Very low | 27.1 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | 75 | 108.8 | 168.2 | -45.8 | -148.9 | 15.4 | 0 | 0 | 118.7 | ||||
| 60 | G | 24.1 | Very low | 27.1 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -111.5 | 168.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 61 | K | 30.9 | Very low | 27.4 | Very low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -132.8 | 140.8 | 166.3 | -67.1 | -175.4 | -179.5 | 176.2 | 0 | 109.6 | L63 | K61-L63 PolarHBondContact O-N 2.88Š| ||
| 62 | K | 28.4 | Very low | 27.3 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -61 | 125.5 | -172.3 | -68.2 | 173.5 | 177.1 | 174.2 | 0 | 111.7 | ||||
| 63 | L | 26.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -114.6 | 124.8 | 159.6 | -77.3 | 175 | 0 | 0 | 0 | 109.3 | K61 N65 | K61-L63 PolarHBondContact O-N 2.88Å; L63-N65 PolarHBondContact O-N 3.44Å; L63-N65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | L | 26.8 | Very low | 27.3 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -79.3 | 90.5 | -176.3 | -71.5 | 167.6 | 0 | 0 | 0 | 111 | L66 | L64-L66 PolarHBondContact O-N 3.42Š| ||
| 65 | N | 24.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -73.6 | 98.1 | 162.6 | -87.6 | -36 | 0 | 0 | 0 | 109.7 | L63 | L63-N65 PolarHBondContact O-N 3.44Å; L63-N65 VanDerWaalsContact O-N 3.09Å | ||
| 66 | L | 25.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -119.3 | 88.5 | 162.7 | -127 | 80.2 | 0 | 0 | 0 | 109.8 | L64 | L64-L66 PolarHBondContact O-N 3.42Š| ||
| 67 | C | 25.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -142.5 | 75.6 | 168.8 | -162.6 | 0 | 0 | 0 | 0 | 108.3 | P69 | C67-P69 WeakPolarHBondContact O-CD 3.47Š| ||
| 68 | S | 24.6 | Very low | 27.6 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -67.2 | 123.7 | -178.5 | -50 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 69 | P | 37.1 | Very low | 27.6 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 70% | 0.695 | 84% | 0.841 | S | S | * | * | trans | -86.5 | -168.3 | 167.5 | 37.1 | -33.3 | 0 | 0 | 0 | 110.7 | C67 | C67-P69 WeakPolarHBondContact O-CD 3.47Š| ||
| 70 | L | 26.3 | Very low | 27.3 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | 86.7 | 152.1 | 176 | -53.4 | 170.6 | 0 | 0 | 0 | 115.7 | ||||
| 71 | P | 37.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 75% | 0.747 | 84% | 0.838 | S | S | * | * | cis | -137.8 | 154.3 | -42.2 | 36.4 | -22.2 | 0 | 0 | 0 | 114.3 | ||||
| 72 | C | 23.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -147.9 | 102.7 | 143.6 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 73 | M | 26 | Very low | 27.1 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -132.9 | 127.6 | 165.1 | -81.1 | -70.6 | 177.8 | 0 | 0 | 106.7 | ||||
| 74 | I | 27.7 | Very low | 27.2 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 86% | 0.862 | 83% | 0.826 | S | S | * | * | trans | -129 | 128.5 | 160.2 | -65.2 | -176.9 | 0 | 0 | 0 | 105.2 | ||||
| 75 | P | 28.4 | Very low | 27.2 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | trans | -97.8 | 164 | -162.6 | 38 | -36.9 | 0 | 0 | 0 | 113.6 | ||||
| 76 | L | 25.8 | Very low | 27.3 | Very low | 179 Ų | 179 | 146 Ų | 146 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -132.1 | 138.1 | 144.8 | -74.5 | 176.8 | 0 | 0 | 0 | 108.1 | ||||
| 77 | Q | 27.9 | Very low | 27.5 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -87.9 | 155 | -178 | -73 | 176.5 | -92.5 | 0 | 0 | 111.8 | ||||
| 78 | P | 27.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -81.8 | 145.8 | 173.2 | 33.9 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 79 | L | 25.5 | Very low | 27.8 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | trans | -104.2 | 131.4 | 149.7 | -72.8 | 172 | 0 | 0 | 0 | 107.1 | ||||
| 80 | G | 23.2 | Very low | 27.2 | Very low | 75 Ų | 75 | 149.2 Ų | 149.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -110 | 164.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 81 | Y | 26 | Very low | 27.1 | Very low | 227 Ų | 227 | 152.2 Ų | 152.2 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | -150.6 | 175.2 | 153.7 | 61.7 | -93.9 | 0 | 0 | 0 | 109.2 | ||||
| 82 | E | 23.5 | Very low | 26.9 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -90.3 | 171.3 | -149.5 | -55.8 | -166.2 | 129.6 | 0 | 0 | 116.7 | ||||
| 83 | V | 29.3 | Very low | 27.2 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -110.7 | 135.1 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 84 | P | 27.3 | Very low | 27.3 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -109.5 | 153.5 | 145.5 | -9.8 | 29.3 | 0 | 0 | 0 | 112.9 | ||||
| 85 | S | 26.9 | Very low | 27.2 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -93.1 | 174.2 | -162.8 | -55.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 86 | K | 28.4 | Very low | 27.3 | Very low | 204 Ų | 204 | 158.7 Ų | 158.7 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 89.5 | 131.2 | -178 | -51.6 | 157.5 | -174.3 | 174.3 | 0 | 111.4 | ||||
| 87 | T | 28.3 | Very low | 27.3 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | cis | -140.3 | 152.1 | 17.5 | -54 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | L | 28.8 | Very low | 27.2 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -69.9 | 134.2 | 171.9 | -70.7 | 165.8 | 0 | 0 | 0 | 111.7 | ||||
| 89 | L | 27.7 | Very low | 27.2 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -168.1 | 139.7 | 147.8 | -109.8 | 167.8 | 0 | 0 | 0 | 114.1 | ||||
| 90 | S | 25.8 | Very low | 27.5 | Very low | 95 Ų | 95 | 158.1 Ų | 158.1 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | 21.7 | 116.9 | 161.2 | -159 | 0 | 0 | 0 | 0 | 121.5 | S92 | S90-S92 PolarHBondContact O-N 3.15Š| ||
| 91 | Y | 24.4 | Very low | 27.7 | Very low | 224 Ų | 224 | 159.6 Ų | 159.6 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -86.6 | 83.9 | 173.4 | -166.5 | -89.7 | 0 | 0 | 0 | 112.7 | ||||
| 92 | S | 32.1 | Very low | 27.7 | Very low | 87 Ų | 87 | 153 Ų | 153 | 61% | 0.608 | 83% | 0.825 | S | S | * | * | trans | -160.3 | 83 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | S90 | S90-S92 PolarHBondContact O-N 3.15Š| ||
| 93 | E | 30.8 | Very low | 28 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 73% | 0.729 | 82% | 0.824 | S | S | * | * | trans | -175.7 | 99.1 | 146.4 | -99.6 | -45.7 | 95.1 | 0 | 0 | 110 | ||||
| 94 | L | 27.1 | Very low | 27.9 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -149.4 | 81.3 | 169.9 | -84.4 | -176.6 | 0 | 0 | 0 | 111.1 | ||||
| 95 | W | 27.4 | Very low | 27.8 | Very low | 253 Ų | 253 | 144.1 Ų | 144.1 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -162.5 | 50.4 | 158.3 | -118.8 | 38.7 | 0 | 0 | 0 | 114.6 | ||||
| 96 | K | 29.5 | Very low | 27.8 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -144.9 | 84.4 | 172.3 | -70.2 | -176.4 | -173.4 | 163.8 | 0 | 114.1 | ||||
| 97 | S | 26.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -175.9 | 107 | 154.7 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 98 | S | 25.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -179.3 | 88.8 | 149.8 | -83.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 99 | L | 27.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -153.8 | 93.7 | 163.4 | -101.9 | -178.5 | 0 | 0 | 0 | 110.6 | ||||
| 100 | R | 30.9 | Very low | 27.5 | Very low | 251 Ų | 251 | 127.2 Ų | 127.2 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | 170 | 118.2 | 137.7 | -100.9 | 174.2 | -76.2 | -136.2 | 3.8 | 112.4 | ||||
| 101 | A | 28.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | trans | -178.2 | 147.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 102 | G | 26.3 | Very low | 27.6 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | trans | 90.1 | 129.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 103 | G | 29.3 | Very low | 27.2 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 86% | 0.862 | S | S | * | * | trans | -164.2 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 104 | G | 26.4 | Very low | 26.9 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 92% | 0.918 | 87% | 0.869 | S | S | * | * | trans | 94.4 | 139.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 105 | G | 26.6 | Very low | 26.7 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 80% | 0.804 | 87% | 0.874 | S | S | * | * | cis | 176.9 | 152.2 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 106 | G | 27 | Very low | 26.7 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 90% | 0.897 | 87% | 0.865 | S | S | * | * | trans | 74 | 153.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 107 | G | 26.5 | Very low | 26.8 | Very low | 81 Ų | 81 | 102.9 Ų | 102.9 | 84% | 0.835 | 86% | 0.864 | S | S | * | * | cis | 173.6 | 144.4 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 108 | G | 26.3 | Very low | 26.9 | Very low | 89 Ų | 89 | 104 Ų | 104 | 92% | 0.918 | 87% | 0.865 | S | S | * | * | trans | 78.5 | 153.7 | 175 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 109 | G | 27.2 | Very low | 26.9 | Very low | 80 Ų | 80 | 103.8 Ų | 103.8 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | cis | 174.6 | 145.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 110 | G | 26.2 | Very low | 26.7 | Very low | 87 Ų | 87 | 99.8 Ų | 99.8 | 90% | 0.897 | 86% | 0.861 | S | S | * | * | trans | 77.2 | 151.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 111 | G | 26.1 | Very low | 26.5 | Very low | 86 Ų | 86 | 92.4 Ų | 92.4 | 89% | 0.887 | 85% | 0.853 | S | S | * | * | cis | 124.9 | 132.9 | 5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 112 | G | 25.3 | Very low | 26.5 | Very low | 78 Ų | 78 | 93.5 Ų | 93.5 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | cis | -175.8 | 172.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 113 | G | 24.2 | Very low | 26.4 | Very low | 91 Ų | 91 | 92.6 Ų | 92.6 | 94% | 0.938 | 85% | 0.846 | S | S | * | * | trans | 74.9 | 161.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | G | 24.3 | Very low | 26.3 | Very low | 85 Ų | 85 | 95.7 Ų | 95.7 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | cis | 153.5 | 122 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 115 | G | 24.2 | Very low | 26.2 | Very low | 85 Ų | 85 | 98 Ų | 98 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | trans | 120 | 121.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 116 | A | 26.7 | Very low | 26.2 | Very low | 95 Ų | 95 | 101.9 Ų | 101.9 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -94.2 | 162.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 117 | P | 32.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 104 Ų | 104 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | -142.1 | 156.7 | 99 | 37.6 | -25 | 0 | 0 | 0 | 116.1 | |||||
| 118 | V | 28.2 | Very low | 26.4 | Very low | 136 Ų | 136 | 108 Ų | 108 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | 18.2 | 148.1 | 137.7 | -166.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 119 | C | 26 | Very low | 26.4 | Very low | 121 Ų | 121 | 110.3 Ų | 110.3 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -64.9 | 150.2 | -170.5 | 56.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 120 | G | 22.8 | Very low | 26.5 | Very low | 79 Ų | 79 | 110 Ų | 110 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | trans | -129.3 | 145.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 121 | A | 26.8 | Very low | 26.7 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | -106.8 | 174 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 122 | S | 27.7 | Very low | 26.8 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 79.3 | 145.2 | -169.5 | 83.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 123 | G | 24.4 | Very low | 27 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | cis | -175.1 | 175 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 124 | L | 26.4 | Very low | 27.1 | Very low | 145 Ų | 145 | 121.4 Ų | 121.4 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | 67.5 | 57.7 | 166.3 | -54.1 | 179.8 | 0 | 0 | 0 | 119.4 | K126 | L124-K126 PolarHBondContact O-N 3.31Š| ||
| 125 | C | 24.6 | Very low | 27.3 | Very low | 137 Ų | 137 | 122 Ų | 122 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -76.1 | 107.7 | 149.1 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 126 | K | 26.9 | Very low | 27.5 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 70% | 0.7 | 81% | 0.812 | S | S | * | * | trans | -103.1 | 133.3 | 179.3 | -85.5 | -179.4 | 170.8 | 171.9 | 0 | 112.8 | L124 | L124-K126 PolarHBondContact O-N 3.31Š| ||
| 127 | T | 30.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 85.9 | 105.4 | 168.5 | 68.9 | 0 | 0 | 0 | 0 | 119.7 | ||
| 128 | N | 27.6 | Very low | 27.3 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | 62 | 74.3 | 142.7 | -61.7 | 11 | 0 | 0 | 0 | 119.7 | ||||
| 129 | C | 26.7 | Very low | 27.3 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | trans | -104.7 | 134.4 | 132.5 | -169.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 130 | G | 27.9 | Very low | 27.3 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -175.2 | 78.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 131 | V | 30.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -145.1 | 125.3 | 152.8 | -178.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 132 | C | 29.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -82.5 | 159.7 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 133 | C | 27.6 | Very low | 28 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 90% | 0.899 | 83% | 0.825 | S | S | * | * | trans | -63.9 | 146.4 | 162.1 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 134 | K | 27.5 | Very low | 28.2 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.787 | 83% | 0.831 | S | S | * | * | trans | -128.1 | 117.4 | 157.3 | -161.1 | -174.2 | -172.7 | -136.5 | 0 | 108 | E136 | K134-E136 WeakPolarHBondContact CE-OE1 3.4Å; K134-E136 IonicContact NZ-OE1 3.68Å; K134-E136 PolarHBondContact NZ-OE1 2.91Å | ||
| 135 | A | 28.7 | Very low | 28.8 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -147.2 | 126 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 136 | E | 28.8 | Very low | 29 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 83% | 0.827 | S | S | * | * | trans | -82.1 | 137.8 | -174.9 | -51.7 | -80.3 | 142.2 | 0 | 0 | 110 | K134 | K134-E136 WeakPolarHBondContact CE-OE1 3.4Å; K134-E136 IonicContact NZ-OE1 3.68Å; K134-E136 PolarHBondContact NZ-OE1 2.91Å | ||
| 137 | L | 29.7 | Very low | 28.9 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 94% | 0.942 | 83% | 0.832 | S | S | * | * | trans | -143 | 113.1 | 148 | -78.3 | -176.1 | 0 | 0 | 0 | 107 | ||||
| 138 | G | 24.3 | Very low | 28.8 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | -99.1 | 142 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 139 | L | 28.2 | Very low | 28.8 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 97% | 0.969 | 84% | 0.837 | S | S | * | * | trans | -151.2 | 158.6 | 158.6 | -103.2 | 169.3 | 0 | 0 | 0 | 108.6 | ||||
| 140 | A | 27.1 | Very low | 28.7 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -83.2 | 165.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 141 | P | 37.9 | Very low | 28.6 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -102.5 | 165.1 | -160.9 | 39.3 | -36.1 | 0 | 0 | 0 | 115.7 | ||||
| 142 | S | 26.5 | Very low | 28.7 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -152.5 | 127.1 | 162.5 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 143 | A | 26.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | trans | 63.6 | 154.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 144 | L | 29.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -114.3 | 169.3 | 179.1 | -103.3 | 171.6 | 0 | 0 | 0 | 108.3 | ||||
| 145 | P | 37.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | -159.3 | 152.6 | 61.6 | 41.4 | -18.1 | 0 | 0 | 0 | 122.1 | |||||
| 146 | A | 29.5 | Very low | 28.1 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | 47.8 | 139.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 147 | G | 26 | Very low | 28 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | 115.5 | 141.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 148 | R | 27.7 | Very low | 27.7 | Very low | 254 Ų | 254 | 137.4 Ų | 137.4 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | cis | -153.2 | 172.2 | -6.5 | -119.6 | -176.7 | -173.9 | 179.3 | 3 | 108.8 | ||||
| 149 | V | 27.8 | Very low | 27.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -133.3 | 136.6 | -175.7 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 150 | I | 24.2 | Very low | 27.7 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -144.2 | 149.5 | 166.2 | -59.2 | -175.2 | 0 | 0 | 0 | 111.4 | ||||
| 151 | K | 25.1 | Very low | 27.7 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -142.7 | 177.5 | 171.7 | -86 | -172.8 | 179.4 | -179.1 | 0 | 107.4 | ||||
| 152 | P | 33.5 | Very low | 27.6 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | cis | -120.9 | -132.9 | 10.3 | 25.9 | 1.8 | 0 | 0 | 0 | 111.5 | ||||
| 153 | Q | 24.2 | Very low | 27.6 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | cis | -156.9 | -171.4 | 0.5 | -154.3 | 161.2 | -18.6 | 0 | 0 | 111.4 | ||||
| 154 | V | 26.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -148.1 | 147.5 | -172.1 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 155 | I | 25 | Very low | 27.4 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -140.7 | 158.5 | 163.8 | -58.1 | -175.8 | 0 | 0 | 0 | 110 | ||||
| 156 | N | 24.9 | Very low | 27 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -135.9 | 153.6 | -165.9 | -96.4 | -32.8 | 0 | 0 | 0 | 115.1 | ||||
| 157 | Q | 25.3 | Very low | 26.8 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 172.9 | 152.2 | 146.8 | -95.8 | 157.8 | 39.6 | 0 | 0 | 110.3 | ||||
| 158 | A | 24.9 | Very low | 26.8 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 82% | 0.815 | S | S | * | * | cis | 93 | 131.7 | 6.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 159 | V | 26.8 | Very low | 26.5 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | cis | -153.2 | 156.6 | 3.5 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 160 | G | 26 | Very low | 26.4 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 168.6 | 146.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 161 | L | 26.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -162 | 152.2 | 174.8 | -111.5 | 173.2 | 0 | 0 | 0 | 109.5 | ||||
| 162 | P | 36.4 | Very low | 26.6 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -162.2 | 163.8 | 84.5 | 42.5 | -21.7 | 0 | 0 | 0 | 121.2 | |||||
| 163 | A | 25.4 | Very low | 26.4 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | 66.6 | 140.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 164 | S | 28.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 92% | 0.923 | 80% | 0.797 | S | S | * | * | trans | 63.6 | 154.5 | 171.7 | 73.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 165 | G | 24.3 | Very low | 26.4 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | cis | 178.4 | 165.4 | -7.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 166 | S | 28.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | cis | -152.1 | -143.8 | -1.5 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 167 | L | 25.4 | Very low | 26.8 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 155.4 | -177.4 | -63.5 | 165.5 | 0 | 0 | 0 | 114.5 | ||||
| 168 | Y | 26 | Very low | 26.8 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -160.8 | 161.1 | 132 | -110.4 | -69.7 | 0 | 0 | 0 | 114.1 | ||||
| 169 | Y | 20.9 | Very low | 27.9 | Very low | 184 Ų | 184 | 142 Ų | 142 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 160.9 | -179.9 | -123.9 | -117.7 | 0 | 0 | 0 | 112.1 | ||||
| 170 | F | 26.1 | Very low | 28.6 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | -173 | -176.2 | 111 | -114.8 | -86.6 | 0 | 0 | 0 | 113.5 | |||||
| 171 | N | 28 | Very low | 28.7 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -100 | 165.6 | -154.4 | -77.8 | -67.5 | 0 | 0 | 0 | 116.4 | ||||
| 172 | Y | 25.2 | Very low | 28.6 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -46.9 | 144.3 | 152 | -101.5 | -116.4 | 0 | 0 | 0 | 112.7 | ||||
| 173 | L | 29.9 | Very low | 28.2 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -152.5 | 167.8 | 130 | -112.8 | 173.3 | 0 | 0 | 0 | 109.9 | ||||
| 174 | D | 25.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -123.5 | 144.5 | -156.1 | -156.3 | -11.5 | 0 | 0 | 0 | 113.5 | ||||
| 175 | S | 25.6 | Very low | 28.1 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | 49 | 127.9 | 153 | -68.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 176 | T | 27.9 | Very low | 28.3 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 72.5 | 103.7 | 136.8 | 55 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 177 | A | 28.8 | Very low | 28.2 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -151.1 | 152.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 178 | Y | 26.3 | Very low | 28.2 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -122 | 170.3 | 172.1 | -101.1 | -109.3 | 0 | 0 | 0 | 106.6 | ||||
| 179 | P | 48.3 | Very low | 28.1 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -127 | -139.1 | -49.3 | 38.9 | -18.5 | 0 | 0 | 0 | 107.3 | ||||
| 180 | P | 41.6 | Very low | 28.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -134.5 | -177.2 | -21 | 39.4 | -20.7 | 0 | 0 | 0 | 115.8 | ||||
| 181 | S | 26.4 | Very low | 28.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 82.7 | 151.5 | 147.4 | -51.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 182 | E | 25.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 133 Ų | 133 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | 65.1 | 105.8 | 156 | -61.4 | -35.7 | 78.7 | 0 | 0 | 123.8 | ||||
| 183 | L | 27.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | 90.6 | 131 | 120.5 | -66.4 | 173.6 | 0 | 0 | 0 | 122.9 | |||||
| 184 | L | 26 | Very low | 28.5 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 66.1 | 102.5 | 139 | -64.6 | 168 | 0 | 0 | 0 | 121.2 | ||||
| 185 | S | 26.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | 58.9 | 141.5 | 108.6 | -57 | 0 | 0 | 0 | 0 | 122 | |||||
| 186 | G | 26.7 | Very low | 28.6 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | 115.4 | 78.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 187 | H | 26.8 | Very low | 28.5 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 59.5 | 148.4 | 75.3 | -81.9 | -85.3 | 0 | 0 | 0 | 116 | |||||
| 188 | L | 25.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | 77.2 | 115.2 | -178.2 | -47.7 | -178.6 | 0 | 0 | 0 | 112.1 | ||||
| 189 | F | 24.2 | Very low | 29.6 | Very low | 187 Ų | 187 | 125 Ų | 125 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | cis | 55.8 | 151.3 | 38.4 | -71.3 | -81.1 | 0 | 0 | 0 | 114.8 | ||||
| 190 | P | 35.8 | Very low | 29 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -107.4 | -178.7 | -24.5 | 30.7 | -10.8 | 0 | 0 | 0 | 108.9 | ||||
| 191 | S | 26.4 | Very low | 28.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | -176.3 | 161 | 51.2 | -68.9 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 192 | G | 25.3 | Very low | 28.4 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 130 | 135 | 3.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 193 | L | 25 | Very low | 29 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 144.3 | 171.3 | -49 | -177.1 | 0 | 0 | 0 | 115 | ||||
| 194 | L | 25.4 | Very low | 29 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | cis | -159.7 | 147.6 | -3.7 | -117.9 | 165.5 | 0 | 0 | 0 | 109.9 | ||||
| 195 | N | 27.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 52.5 | 155 | 146.1 | -81.3 | 3.8 | 0 | 0 | 0 | 122.2 | ||||
| 196 | A | 26.2 | Very low | 29.8 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 55% | 0.554 | 78% | 0.777 | S | S | * | * | cis | -159.4 | 158.3 | -12 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 197 | Q | 26.4 | Very low | 30.3 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 50.4 | 115.8 | 143.1 | -69.7 | 163.2 | -24.7 | 0 | 0 | 120.5 | ||||
| 198 | A | 40.2 | Very low | 30.9 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 178.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | P | 36.7 | Very low | 31.4 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -131.9 | 160.9 | 113.5 | 37.4 | -31.2 | 0 | 0 | 0 | 113.7 | |||||
| 200 | A | 36.6 | Very low | 32.3 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -120.8 | 133.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 201 | A | 27.1 | Very low | 32.7 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -176.1 | 137.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 202 | L | 27.4 | Very low | 33 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | cis | -146.7 | 164.4 | 45.7 | -101.9 | 90.9 | 0 | 0 | 0 | 111.9 | ||||
| 203 | A | 40.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -83.5 | 124.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 204 | A | 26.8 | Very low | 34.5 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -131.6 | 150.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 205 | H | 36.6 | Very low | 35.2 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -62.4 | 145.8 | -165.1 | -70.4 | -96.6 | 0 | 0 | 0 | 115.1 | K207 | H205-K207 PolarHBondContact O-N 2.84Š| ||
| 206 | P | 32.7 | Very low | 35.9 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 52.4 | 175.1 | 35.1 | -38.3 | 0 | 0 | 0 | 112.3 | ||
| 207 | K | 36.4 | Very low | 36.4 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | -17 | 179.2 | -92.8 | -164.7 | 169.9 | -168.2 | 0 | 115 | H205 | H205-K207 PolarHBondContact O-N 2.84Š|
| 208 | L | 40.5 | Very low | 37 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93.4 | -29.2 | -179.3 | -71.2 | 170.4 | 0 | 0 | 0 | 113.5 | L210 L211 | L208-L210 PolarHBondContact O-N 3.44Å; L208-L211 PolarHBondContact O-N 2.84Å |
| 209 | F | 36.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 131 Ų | 131 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -7.6 | -178.5 | -156.5 | -97.5 | 0 | 0 | 0 | 115.3 | N213 | F209-N213 PolarHBondContact O-ND2 3.04Š|
| 210 | L | 42.2 | Very low | 36.4 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 2.4 | 177.7 | -71.9 | 175.5 | 0 | 0 | 0 | 114.5 | L208 | L208-L210 PolarHBondContact O-N 3.44Š|
| 211 | L | 44.4 | Very low | 36.7 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -30.3 | 173.9 | -113.2 | 78.1 | 0 | 0 | 0 | 113.8 | L208 | L208-L211 PolarHBondContact O-N 2.84Š|
| 212 | E | 33.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -78.6 | -42.8 | -176.7 | -145.3 | 159.2 | 153.8 | 0 | 0 | 111.8 | A214 K215 | E212-A214 PolarHBondContact O-N 3.25Å; E212-K215 PolarHBondContact O-N 3.12Å |
| 213 | N | 39 | Very low | 37.7 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 51% | 0.508 | 77% | 0.765 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -11.9 | 173.7 | -67.5 | -47.4 | 0 | 0 | 0 | 113.9 | F209 K215 | F209-N213 PolarHBondContact O-ND2 3.04Å; N213-K215 VanDerWaalsContact C-N 3.32Å |
| 214 | A | 42.9 | Very low | 37.1 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -3.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E212 | E212-A214 PolarHBondContact O-N 3.25Š|
| 215 | K | 40 | Very low | 37.1 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -110.2 | -4.7 | 179.9 | -79.6 | -172 | 172 | -174.4 | 0 | 115.6 | E212 N213 | E212-K215 PolarHBondContact O-N 3.12Å; N213-K215 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 41.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -116.4 | 8.9 | -178.4 | -73.2 | 170.1 | 0 | 0 | 0 | 114 | ||
| 217 | A | 35.8 | Very low | 36.7 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -108 | 45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 218 | G | 40.3 | Very low | 36.3 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -94.9 | 149.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 219 | L | 36 | Very low | 36 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 96% | 0.963 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 71.3 | 64.8 | -179.3 | -50.3 | 177.7 | 0 | 0 | 0 | 116.7 | ||
| 220 | A | 28.6 | Very low | 35.9 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -164.3 | 99.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 221 | A | 43.1 | Very low | 35.6 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -84.5 | 163.7 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 222 | D | 38.2 | Very low | 35.4 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 69.9 | 144.7 | 177.8 | -58.6 | -39.8 | 0 | 0 | 0 | 118.3 | ||
| 223 | K | 35.7 | Very low | 35.5 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | 67.4 | 51.9 | 170.5 | -55.8 | -176.8 | -175.4 | 176 | 0 | 118.1 | ||||
| 224 | F | 27.6 | Very low | 35.9 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -111.6 | 131.1 | 137.8 | -88.8 | -88.1 | 0 | 0 | 0 | 109.9 | H226 | F224-H226 PolarHBondContact O-N 2.85Š| ||
| 225 | P | 28.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 121.8 | 178 | 28.8 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 226 | H | 30.6 | Very low | 37.4 | Very low | 175 Ų | 175 | 139 Ų | 139 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 133.7 | 166.4 | -76.9 | -77.9 | 0 | 0 | 0 | 109.8 | F224 A228 | F224-H226 PolarHBondContact O-N 2.85Å; H226-A228 PolarHBondContact O-N 3.4Å; H226-A228 VanDerWaalsContact O-N 3.11Å |
| 227 | P | 30.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119 | 160 | 26.4 | -32 | 0 | 0 | 0 | 107.4 | ||
| 228 | A | 27.5 | Very low | 39.8 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H226 Y230 | H226-A228 PolarHBondContact O-N 3.4Å; H226-A228 VanDerWaalsContact O-N 3.11Å; A228-Y230 PolarHBondContact O-N 3.03Å; A228-Y230 VanDerWaalsContact O-N 3.11Å |
| 229 | P | 33.9 | Very low | 41 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120.7 | 175.2 | 24.4 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 230 | Y | 34.2 | Very low | 42.6 | Very low | 176 Ų | 176 | 125.2 Ų | 125.2 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | trans | -42.5 | 122.3 | -169.5 | -80.1 | -81.2 | 0 | 0 | 0 | 113.1 | A228 H232 E362 | A228-Y230 PolarHBondContact O-N 3.03Å; A228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-H232 PolarHBondContact O-N 3.04Å; Y230-E362 HydrophobicContact CE2-CG 4.43Å | ||
| 231 | P | 35 | Very low | 44.6 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | trans | -66.3 | 101.7 | 178.5 | 27 | -33.5 | 0 | 0 | 0 | 108.9 | K233 | P231-K233 PolarHBondContact O-N 3.22Š| ||
| 232 | H | 40.2 | Very low | 45.9 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -77.1 | 31.1 | -168.8 | -142.6 | -48.1 | 0 | 0 | 0 | 113.5 | Y230 | Y230-H232 PolarHBondContact O-N 3.04Š|
| 233 | K | 36.4 | Very low | 47.2 | Very low | 200 Ų | 200 | 118.4 Ų | 118.4 | 87% | 0.87 | 61% | 0.609 | S | S | * | * | trans | -139.7 | 42.5 | -178.7 | -72.2 | -173.4 | 175.5 | 178.6 | 0 | 111.9 | P231 R235 | P231-K233 PolarHBondContact O-N 3.22Å; K233-R235 PolarHBondContact O-N 3.06Å; K233-R235 VanDerWaalsContact O-N 3.1Å | ||
| 234 | E | 47.7 | Very low | 49 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.8 | 157.4 | -73.9 | -172 | 147.2 | 0 | 0 | 108.3 | L236 | E234-L236 PolarHBondContact O-N 2.87Š|
| 235 | R | 53.3 | Low | 51.1 | Low | 201 Ų | 201 | 109 Ų | 109 | 76% | 0.758 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.8 | 171.2 | -170.5 | 179.6 | -176.1 | 172.6 | 4.3 | 108 | K233 E241 | K233-R235 PolarHBondContact O-N 3.06Å; K233-R235 VanDerWaalsContact O-N 3.1Å; R235-E241 WeakPolarHBondContact CG-OE1 3.32Å; R235-E241 IonicContact NE-OE2 3.39Å; R235-E241 PolarHBondContact NE-OE2 3.41Å; R235-E241 IonicContact NH2-OE2 3.92Å |
| 236 | L | 60.8 | Low | 53 | Low | 59 Ų | 59 | 106.8 Ų | 106.8 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 146.8 | 177.3 | -65.1 | 95 | 0 | 0 | 0 | 108 | E234 A238 L240 E241 L244 Y356 | E234-L236 PolarHBondContact O-N 2.87Å; L236-A238 PolarHBondContact O-N 3.5Å; L236-L240 HydrophobicContact CB-CD2 4.39Å; L236-L240 HydrophobicContact CD2-CD2 3.77Å; L236-L240 HydrophobicContact CD2-CG 4.19Å; L236-E241 HydrophobicContact CB-CG 3.63Å; L236-E241 PolarHBondContact N-OE1 2.93Å; L236-L244 HydrophobicContact CD2-CD1 4Å; L236-Y356 HydrophobicContact CD2-CE1 3.98Å; L236-Y356 HydrophobicContact CG-CE1 4.22Å |
| 237 | P | 64.1 | Low | 54.6 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 133 | 175.3 | -27.9 | 34.9 | 0 | 0 | 0 | 110.3 | P239 L240 E241 Y356 | P237-P239 VanDerWaalsContact C-CD 3.41Å; P237-P239 VanDerWaalsContact C-N 3.3Å; P237-P239 VanDerWaalsContact O-N 3.14Å; P237-L240 HydrophobicContact CB-CB 4.47Å; P237-L240 WeakPolarHBondContact O-CA 3.5Å; P237-L240 VanDerWaalsContact O-CB 3.3Å; P237-L240 WeakPolarHBondContact O-CB 3.5Å; P237-L240 PolarHBondContact O-N 2.9Å; P237-E241 PolarHBondContact O-N 3.05Å; P237-Y356 HydrophobicContact CG-CD2 3.76Å; P237-Y356 HydrophobicContact CG-CE2 4.3Å; P237-Y356 HydrophobicContact CG-CG 4.22Å |
| 238 | A | 63.8 | Low | 56.3 | Low | 67 Ų | 67 | 96.1 Ų | 96.1 | 55% | 0.554 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -52.2 | -38.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | L236 L240 E241 Q242 | L236-A238 PolarHBondContact O-N 3.5Å; A238-L240 PolarHBondContact O-N 3.13Å; A238-E241 PolarHBondContact O-N 3.2Å; A238-Q242 WeakPolarHBondContact O-CB 3.36Å; A238-Q242 PolarHBondContact O-N 2.97Å |
| 239 | P | 65.1 | Low | 57.9 | Low | 89 Ų | 89 | 95.1 Ų | 95.1 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -30.5 | 172.8 | -24.7 | 35.6 | 0 | 0 | 0 | 113.9 | P237 V243 | P237-P239 VanDerWaalsContact C-CD 3.41Å; P237-P239 VanDerWaalsContact C-N 3.3Å; P237-P239 VanDerWaalsContact O-N 3.14Å; P239-V243 WeakPolarHBondContact O-CB 3.42Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.33Å; P239-V243 VanDerWaalsContact O-N 3.09Å |
| 240 | L | 69.8 | Low | 58.9 | Low | 0 Ų | 0 | 93.9 Ų | 93.9 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -78.4 | -37.3 | 174.5 | -178.8 | 62.5 | 0 | 0 | 0 | 111.8 | L236 P237 A238 L244 I350 R351 A354 Y356 | L236-L240 HydrophobicContact CB-CD2 4.39Å; L236-L240 HydrophobicContact CD2-CD2 3.77Å; L236-L240 HydrophobicContact CD2-CG 4.19Å; P237-L240 HydrophobicContact CB-CB 4.47Å; P237-L240 WeakPolarHBondContact O-CA 3.5Å; P237-L240 VanDerWaalsContact O-CB 3.3Å; P237-L240 WeakPolarHBondContact O-CB 3.5Å; P237-L240 PolarHBondContact O-N 2.9Å; A238-L240 PolarHBondContact O-N 3.13Å; L240-L244 HydrophobicContact CD1-CD1 3.93Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.33Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.35Å; L240-L244 WeakPolarHBondContact O-CD1 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.49Å; L240-I350 HydrophobicContact CD1-CB 4.38Å; L240-I350 HydrophobicContact CD1-CG2 3.63Å; L240-R351 HydrophobicContact CD1-CG 4.1Å; L240-R351 HydrophobicContact CD2-CG 3.86Å; L240-A354 HydrophobicContact CB-CB 4.07Å; L240-A354 HydrophobicContact CD1-CB 4.27Å; L240-Y356 HydrophobicContact CD2-CD1 3.28Å; L240-Y356 HydrophobicContact CD2-CE1 3.99Å; L240-Y356 HydrophobicContact CD2-CG 3.78Å |
| 241 | E | 71.9 | Confident | 59.7 | Low | 67 Ų | 67 | 88.1 Ų | 88.1 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 172.5 | -66.6 | -167.2 | 151.9 | 0 | 0 | 110.9 | R235 L236 P237 A238 L244 K245 | R235-E241 WeakPolarHBondContact CG-OE1 3.32Å; R235-E241 IonicContact NE-OE2 3.39Å; R235-E241 PolarHBondContact NE-OE2 3.41Å; R235-E241 IonicContact NH2-OE2 3.92Å; L236-E241 HydrophobicContact CB-CG 3.63Å; L236-E241 PolarHBondContact N-OE1 2.93Å; P237-E241 PolarHBondContact O-N 3.05Å; A238-E241 PolarHBondContact O-N 3.2Å; E241-L244 PolarHBondContact O-N 2.99Å; E241-K245 WeakPolarHBondContact O-CB 3.42Å; E241-K245 PolarHBondContact O-N 2.8Å |
| 242 | Q | 68.8 | Low | 60.7 | Low | 116 Ų | 116 | 86.5 Ų | 86.5 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -54.8 | 176.6 | 174.9 | 172.1 | -10 | 0 | 0 | 111.9 | A238 L244 K245 E246 | A238-Q242 WeakPolarHBondContact O-CB 3.36Å; A238-Q242 PolarHBondContact O-N 2.97Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.2Å; Q242-K245 WeakPolarHBondContact O-CA 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.22Å; Q242-K245 PolarHBondContact O-N 3.29Å; Q242-E246 HydrophobicContact CG-CG 4.39Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.41Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.42Å |
| 243 | V | 66.6 | Low | 61 | Low | 16 Ų | 16 | 85.7 Ų | 85.7 | 10% | 0.097 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.9 | -31.1 | -177.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | P239 N247 I350 | P239-V243 WeakPolarHBondContact O-CB 3.42Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.33Å; P239-V243 VanDerWaalsContact O-N 3.09Å; V243-N247 WeakPolarHBondContact CG1-ND2 3.47Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.27Å; V243-N247 PolarHBondContact O-ND2 2.73Å; V243-I350 HydrophobicContact CB-CG2 4.19Å; V243-I350 HydrophobicContact CG1-CD1 4.06Å; V243-I350 HydrophobicContact CG1-CG1 4.29Å; V243-I350 HydrophobicContact CG1-CG2 3.61Å |
| 244 | L | 72.3 | Confident | 61.8 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 22% | 0.22 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 170.9 | -72.2 | 171.2 | 0 | 0 | 0 | 112.4 | L236 L240 E241 Q242 S248 N347 | L236-L244 HydrophobicContact CD2-CD1 4Å; L240-L244 HydrophobicContact CD1-CD1 3.93Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.33Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.35Å; L240-L244 WeakPolarHBondContact O-CD1 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.49Å; E241-L244 PolarHBondContact O-N 2.99Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.2Å; L244-S248 WeakPolarHBondContact O-CB 3.33Å; L244-S248 PolarHBondContact O-N 3.07Å; L244-N347 HydrophobicContact CD2-CB 3.74Å; L244-N347 VanDerWaalsContact CD2-CG 3.42Å |
| 245 | K | 73.5 | Confident | 61.5 | Low | 159 Ų | 159 | 83.4 Ų | 83.4 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.1 | -48.5 | 176.1 | -170.4 | 179.6 | 179.3 | -174.9 | 0 | 111.3 | E241 Q242 N247 S248 A249 | E241-K245 WeakPolarHBondContact O-CB 3.42Å; E241-K245 PolarHBondContact O-N 2.8Å; Q242-K245 WeakPolarHBondContact O-CA 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.22Å; Q242-K245 PolarHBondContact O-N 3.29Å; K245-N247 PolarHBondContact O-N 2.97Å; K245-S248 WeakPolarHBondContact O-CB 3.37Å; K245-S248 PolarHBondContact O-N 3.33Å; K245-S248 VanDerWaalsContact O-N 3.1Å; K245-S248 PolarHBondContact O-OG 2.81Å; K245-A249 PolarHBondContact O-N 3.12Å |
| 246 | E | 67.2 | Low | 60.4 | Low | 75 Ų | 75 | 76.6 Ų | 76.6 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.9 | -48.4 | 175 | -69.8 | 166.5 | -176.3 | 0 | 0 | 111.6 | Q242 S248 A249 L250 | Q242-E246 HydrophobicContact CG-CG 4.39Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.41Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.42Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.26Å; E246-A249 PolarHBondContact O-N 3.21Å; E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.17Å; E246-L250 VanDerWaalsContact O-N 3.07Å |
| 247 | N | 64.4 | Low | 59.3 | Low | 8 Ų | 8 | 80.5 Ų | 80.5 | 4% | 0.043 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.5 | -24 | 177.7 | -78 | -82 | 0 | 0 | 0 | 113.2 | V243 K245 T251 L346 | V243-N247 WeakPolarHBondContact CG1-ND2 3.47Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.27Å; V243-N247 PolarHBondContact O-ND2 2.73Å; K245-N247 PolarHBondContact O-N 2.97Å; N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 2.86Å; N247-T251 PolarHBondContact O-OG1 3.3Å; N247-L346 HydrophobicContact CB-CD2 4.5Å; N247-L346 WeakPolarHBondContact OD1-CD2 3.32Å |
| 248 | S | 65.5 | Low | 57.9 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.3 | -41.6 | 172.7 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | L244 K245 E246 T251 A252 | L244-S248 WeakPolarHBondContact O-CB 3.33Å; L244-S248 PolarHBondContact O-N 3.07Å; K245-S248 WeakPolarHBondContact O-CB 3.37Å; K245-S248 PolarHBondContact O-N 3.33Å; K245-S248 VanDerWaalsContact O-N 3.1Å; K245-S248 PolarHBondContact O-OG 2.81Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.26Å; S248-T251 PolarHBondContact O-N 3.03Å; S248-T251 PolarHBondContact O-OG1 3.34Å; S248-A252 PolarHBondContact O-N 3.29Å |
| 249 | A | 61.1 | Low | 56.5 | Low | 56 Ų | 56 | 86.3 Ų | 86.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K245 E246 T251 A252 E253 | K245-A249 PolarHBondContact O-N 3.12Å; E246-A249 PolarHBondContact O-N 3.21Å; A249-T251 PolarHBondContact O-N 3.17Å; A249-A252 WeakPolarHBondContact O-CB 3.42Å; A249-A252 PolarHBondContact O-N 3.03Å; A249-E253 PolarHBondContact O-N 3.25Å |
| 250 | L | 54.7 | Low | 55.4 | Low | 99 Ų | 99 | 91 Ų | 91 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -14.1 | 174.3 | -68.5 | 171.3 | 0 | 0 | 0 | 114.2 | E246 | E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.17Å; E246-L250 VanDerWaalsContact O-N 3.07Å |
| 251 | T | 51.1 | Low | 54 | Low | 55 Ų | 55 | 96.5 Ų | 96.5 | 34% | 0.337 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -101 | -9.3 | 172.2 | 58.2 | 0 | 0 | 0 | 0 | 115 | N247 S248 A249 H331 | N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 2.86Å; N247-T251 PolarHBondContact O-OG1 3.3Å; S248-T251 PolarHBondContact O-N 3.03Å; S248-T251 PolarHBondContact O-OG1 3.34Å; A249-T251 PolarHBondContact O-N 3.17Å; T251-H331 VanDerWaalsContact CG2-ND1 3.29Å; T251-H331 WeakPolarHBondContact CG2-ND1 3.28Å |
| 252 | A | 56 | Low | 52.5 | Low | 69 Ų | 69 | 103 Ų | 103 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.3 | -42.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | S248 A249 R254 | S248-A252 PolarHBondContact O-N 3.29Å; A249-A252 WeakPolarHBondContact O-CB 3.42Å; A249-A252 PolarHBondContact O-N 3.03Å; A252-R254 PolarHBondContact O-N 2.93Å; A252-R254 VanDerWaalsContact O-N 3.14Å |
| 253 | E | 47.9 | Very low | 51.4 | Low | 163 Ų | 163 | 105 Ų | 105 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -23 | -178.1 | -65.2 | -60.4 | 101.1 | 0 | 0 | 114.9 | A249 | A249-E253 PolarHBondContact O-N 3.25Š|
| 254 | R | 52.6 | Low | 50.5 | Low | 224 Ų | 224 | 110.4 Ų | 110.4 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 92.2 | -174.8 | -77.8 | -172.7 | 170 | -170.2 | -4.2 | 113.1 | A252 | A252-R254 PolarHBondContact O-N 2.93Å; A252-R254 VanDerWaalsContact O-N 3.14Å |
| 255 | G | 40.8 | Very low | 49 | Very low | 67 Ų | 67 | 112 Ų | 112 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.5 | 41.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V257 | G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.7Å |
| 256 | G | 30.6 | Very low | 47.3 | Very low | 58 Ų | 58 | 108.3 Ų | 108.3 | 60% | 0.598 | 66% | 0.657 | S | S | * | * | trans | -62.6 | 85.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K258 | G256-K258 VanDerWaalsContact C-N 3.27Å; G256-K258 PolarHBondContact O-N 2.88Å | ||
| 257 | V | 37.3 | Very low | 46.2 | Very low | 141 Ų | 141 | 109.3 Ų | 109.3 | 86% | 0.855 | 67% | 0.673 | S | S | * | * | trans | -62.9 | 94.3 | 163.4 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | G255 G259 | G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.7Å; V257-G259 PolarHBondContact O-N 2.86Å | ||
| 258 | K | 35.1 | Very low | 45.7 | Very low | 176 Ų | 176 | 113.9 Ų | 113.9 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -56.5 | 108.6 | 179 | -71 | -179.8 | -179.8 | 175.2 | 0 | 108.1 | G256 H260 | G256-K258 VanDerWaalsContact C-N 3.27Å; G256-K258 PolarHBondContact O-N 2.88Å; K258-H260 PolarHBondContact O-CD2 3.01Å; K258-H260 VanDerWaalsContact O-CD2 3.27Å; K258-H260 PolarHBondContact O-N 3.04Å | ||
| 259 | G | 34 | Very low | 45.3 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -65.5 | 104.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | V257 S261 | V257-G259 PolarHBondContact O-N 2.86Å; G259-S261 PolarHBondContact O-N 3.06Å | ||
| 260 | H | 43.1 | Very low | 45.2 | Very low | 187 Ų | 187 | 118.5 Ų | 118.5 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | -68.9 | 82.5 | 175.2 | -78.9 | -99.7 | 0 | 0 | 0 | 109.7 | K258 | K258-H260 PolarHBondContact O-CD2 3.01Å; K258-H260 VanDerWaalsContact O-CD2 3.27Å; K258-H260 PolarHBondContact O-N 3.04Å | ||
| 261 | S | 40.6 | Very low | 45.2 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -133.5 | 42.1 | 171 | 69.7 | 0 | 0 | 0 | 0 | 111 | G259 | G259-S261 PolarHBondContact O-N 3.06Š| ||
| 262 | K | 40.1 | Very low | 45.7 | Very low | 203 Ų | 203 | 124.2 Ų | 124.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -115.7 | 90.7 | 155.1 | -169.9 | -180 | -176.6 | -176.6 | 0 | 107.9 | ||||
| 263 | L | 44.1 | Very low | 46.4 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 144.4 | 157.3 | -77.8 | 175.5 | 0 | 0 | 0 | 107.2 | ||||
| 264 | P | 48.5 | Very low | 48.2 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | trans | -68.4 | 144.6 | 174.6 | 31 | -34.2 | 0 | 0 | 0 | 109.9 | ||||
| 265 | G | 40.9 | Very low | 49.7 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -176.3 | 34.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S267 | G265-S267 PolarHBondContact O-N 3.48Š| ||
| 266 | G | 37.7 | Very low | 51.8 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -80.7 | 108.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 267 | S | 44.8 | Very low | 54.6 | Low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | trans | -75.8 | 142.4 | 152.8 | -58.5 | 0 | 0 | 0 | 0 | 108 | G265 D269 | G265-S267 PolarHBondContact O-N 3.48Å; S267-D269 PolarHBondContact O-N 3.09Å | ||
| 268 | A | 54.3 | Low | 56.9 | Low | 103 Ų | 103 | 118 Ų | 118 | 85% | 0.851 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -67.2 | -22.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G270 | A268-G270 PolarHBondContact O-N 3.35Š|
| 269 | D | 56.6 | Low | 59.4 | Low | 135 Ų | 135 | 114 Ų | 114 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -84.5 | 104.9 | -175.9 | -46.3 | -81.4 | 0 | 0 | 0 | 111.8 | S267 K271 | S267-D269 PolarHBondContact O-N 3.09Å; D269-K271 PolarHBondContact O-N 3.4Å |
| 270 | G | 57.7 | Low | 61.9 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 88% | 0.876 | 67% | 0.67 | S | S | * | * | trans | -69.1 | 36.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | A268 | A268-G270 PolarHBondContact O-N 3.35Š| ||
| 271 | K | 54.8 | Low | 64 | Low | 182 Ų | 182 | 106.5 Ų | 106.5 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | -103.1 | 112.2 | 178 | -162 | 168.6 | -171.5 | 172.2 | 0 | 111.5 | D269 K273 | D269-K271 PolarHBondContact O-N 3.4Å; K271-K273 PolarHBondContact O-N 3.36Å; K271-K273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | P | 61.3 | Low | 66.2 | Low | 92 Ų | 92 | 106.4 Ų | 106.4 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | trans | -65.4 | 116.8 | -179.8 | 25.7 | -33.2 | 0 | 0 | 0 | 110.9 | N274 | P272-N274 PolarHBondContact O-N 3.08Š| ||
| 273 | K | 72.6 | Confident | 68.5 | Low | 169 Ų | 169 | 100.8 Ų | 100.8 | 74% | 0.735 | 62% | 0.622 | S | S | * | * | trans | -69.1 | 101.2 | 175.8 | -71.5 | -176.6 | 179.5 | 176.2 | 0 | 109.5 | K271 F275 | K271-K273 PolarHBondContact O-N 3.36Å; K271-K273 VanDerWaalsContact O-N 3.14Å; K273-F275 HydrophobicContact CB-CE2 4.19Å; K273-F275 HydrophobicContact CB-CZ 4.48Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.44Å | ||
| 274 | N | 84.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | trans | -91.1 | 128.7 | -177.4 | -84.7 | -23.5 | 0 | 0 | 0 | 110.8 | P272 V283 | P272-N274 PolarHBondContact O-N 3.08Å; N274-V283 HydrophobicContact CB-CG1 3.55Å | ||
| 275 | F | 84.4 | Confident | 72.6 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 31% | 0.311 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.7 | -177.4 | -62.7 | -93.7 | 0 | 0 | 0 | 109.6 | K273 F284 A286 H287 L290 | K273-F275 HydrophobicContact CB-CE2 4.19Å; K273-F275 HydrophobicContact CB-CZ 4.48Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.44Å; F275-F284 PolarHBondContact N-O 3.16Å; F275-F284 PolarHBondContact O-N 3.26Å; F275-A286 VanDerWaalsContact CD2-C 3.41Å; F275-H287 HydrophobicContact CD1-CB 3.99Å; F275-H287 AromaticContact CD1-CD2 3.92Å; F275-H287 HydrophobicContact CD2-CB 4.49Å; F275-H287 VanDerWaalsContact CD2-N 3.31Å; F275-H287 HydrophobicContact CE1-CB 3.73Å; F275-H287 HydrophobicContact CE2-CB 4.26Å; F275-H287 HydrophobicContact CG-CB 4.36Å; F275-H287 HydrophobicContact CZ-CB 3.88Å; F275-L290 HydrophobicContact CB-CB 4.28Å; F275-L290 HydrophobicContact CB-CD2 4Å |
| 276 | T | 84.4 | Confident | 74.9 | Confident | 72 Ų | 72 | 92 Ų | 92 | 44% | 0.442 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.5 | -177.4 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | E278 K282 V283 | T276-E278 PolarHBondContact O-N 2.81Å; T276-K282 CarbonylContact C-O 3.58Å; T276-K282 WeakPolarHBondContact CA-O 3.35Å; T276-V283 HydrophobicContact CG2-CG2 4.44Å |
| 277 | C | 89.3 | Confident | 77.2 | Confident | 1 Ų | 1 | 93.5 Ų | 93.5 | 1% | 0.007 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 108 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | V279 C280 G281 K282 F284 L290 H293 H297 | C277-V279 PolarHBondContact O-N 2.87Å; C277-V279 VanDerWaalsContact O-N 3.15Å; C277-C280 PolarHBondContact O-N 2.97Å; C277-C280 VanDerWaalsContact O-N 3.11Å; C277-G281 WeakPolarHBondContact O-CA 3.42Å; C277-G281 PolarHBondContact O-N 3.02Å; C277-K282 HydrophobicContact CB-CB 4.47Å; C277-K282 PolarHBondContact N-O 3.32Å; C277-F284 HydrophobicContact CB-CE2 4.05Å; C277-L290 HydrophobicContact CB-CD1 3.49Å; C277-L290 VanDerWaalsContact CB-CD1 3.49Å; C277-H293 VanDerWaalsContact SG-CD2 3.56Å; C277-H297 PolarHBondContact SG-NE2 3.24Å |
| 278 | E | 85.9 | Confident | 79.1 | Confident | 182 Ų | 182 | 96 Ų | 96 | 85% | 0.85 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -42.8 | 177.7 | -66.6 | 149.1 | -160.2 | 0 | 0 | 113 | T276 C280 | T276-E278 PolarHBondContact O-N 2.81Å; E278-C280 VanDerWaalsContact C-N 3.28Å; E278-C280 PolarHBondContact O-N 2.88Å |
| 279 | V | 87.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.9 | -174.1 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | C277 H297 | C277-V279 PolarHBondContact O-N 2.87Å; C277-V279 VanDerWaalsContact O-N 3.15Å; V279-H297 HydrophobicContact CG1-CB 4Å |
| 280 | C | 87.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 86.9 Ų | 86.9 | 30% | 0.304 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -154.3 | 20.8 | 178.2 | 67.9 | 0 | 0 | 0 | 0 | 116.4 | C277 E278 K282 H293 H297 | C277-C280 PolarHBondContact O-N 2.97Å; C277-C280 VanDerWaalsContact O-N 3.11Å; E278-C280 VanDerWaalsContact C-N 3.28Å; E278-C280 PolarHBondContact O-N 2.88Å; C280-K282 PolarHBondContact O-N 3.03Å; C280-H293 PolarHBondContact SG-NE2 2.39Å; C280-H293 VanDerWaalsContact SG-NE2 3.43Å; C280-H297 WeakPolarHBondContact CB-CE1 3Å; C280-H297 PolarHBondContact SG-CE1 2.91Å; C280-H297 PolarHBondContact SG-NE2 3.13Å |
| 281 | G | 86 | Confident | 83.4 | Confident | 53 Ų | 53 | 86.6 Ų | 86.6 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 8.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | C277 V283 | C277-G281 WeakPolarHBondContact O-CA 3.42Å; C277-G281 PolarHBondContact O-N 3.02Å; G281-V283 PolarHBondContact O-N 3.34Å |
| 282 | K | 87.8 | Confident | 84.9 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.2 | -173.8 | -75.2 | 178.3 | -171.3 | 163.3 | 0 | 111.7 | T276 C277 C280 F284 | T276-K282 CarbonylContact C-O 3.58Å; T276-K282 WeakPolarHBondContact CA-O 3.35Å; C277-K282 HydrophobicContact CB-CB 4.47Å; C277-K282 PolarHBondContact N-O 3.32Å; C280-K282 PolarHBondContact O-N 3.03Å; K282-F284 HydrophobicContact CB-CE2 3.77Å; K282-F284 HydrophobicContact CB-CZ 3.95Å; K282-F284 VanDerWaalsContact O-CD2 3.28Å; K282-F284 WeakPolarHBondContact O-CD2 3.45Å; K282-F284 VanDerWaalsContact O-CE2 3.25Å; K282-F284 WeakPolarHBondContact O-CE2 3.35Å |
| 283 | V | 88.8 | Confident | 86.1 | Confident | 84 Ų | 84 | 80.2 Ų | 80.2 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134.9 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | N274 T276 G281 | N274-V283 HydrophobicContact CB-CG1 3.55Å; T276-V283 HydrophobicContact CG2-CG2 4.44Å; G281-V283 PolarHBondContact O-N 3.34Å |
| 284 | F | 89.5 | Confident | 86.7 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.1 | 177 | -62.1 | -83.1 | 0 | 0 | 0 | 110.7 | F275 C277 K282 A286 N289 L290 H293 | F275-F284 PolarHBondContact N-O 3.16Å; F275-F284 PolarHBondContact O-N 3.26Å; C277-F284 HydrophobicContact CB-CE2 4.05Å; K282-F284 HydrophobicContact CB-CE2 3.77Å; K282-F284 HydrophobicContact CB-CZ 3.95Å; K282-F284 VanDerWaalsContact O-CD2 3.28Å; K282-F284 WeakPolarHBondContact O-CD2 3.45Å; K282-F284 VanDerWaalsContact O-CE2 3.25Å; K282-F284 WeakPolarHBondContact O-CE2 3.35Å; F284-A286 PolarHBondContact O-N 2.95Å; F284-A286 VanDerWaalsContact O-N 3.14Å; F284-N289 HydrophobicContact CB-CB 3.94Å; F284-N289 HydrophobicContact CD1-CB 3.89Å; F284-N289 HydrophobicContact CG-CB 4.18Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 4.01Å; F284-L290 HydrophobicContact CE2-CD1 4.13Å; F284-L290 HydrophobicContact CG-CB 4.49Å; F284-H293 HydrophobicContact CE1-CB 4.17Å; F284-H293 HydrophobicContact CE2-CB 3.99Å; F284-H293 AromaticContact CE2-CD2 3.42Å; F284-H293 VanDerWaalsContact CE2-CD2 3.42Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.27Å; F284-H293 AromaticContact CE2-CG 3.76Å; F284-H293 HydrophobicContact CZ-CB 3.61Å; F284-H293 AromaticContact CZ-CD2 3.43Å; F284-H293 VanDerWaalsContact CZ-CD2 3.43Å; F284-H293 WeakPolarHBondContact CZ-CD2 3.44Å; F284-H293 AromaticContact CZ-CG 3.35Å; F284-H293 AromaticContact CZ-ND1 3.9Å |
| 285 | N | 88.6 | Confident | 86.9 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -73.8 | 2.9 | -179.9 | 68.4 | -20 | 0 | 0 | 0 | 115.2 | N289 | N285-N289 PolarHBondContact OD1-ND2 3.16Š|
| 286 | A | 89.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -162.5 | 144.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F275 F284 Y288 N289 L290 | F275-A286 VanDerWaalsContact CD2-C 3.41Å; F284-A286 PolarHBondContact O-N 2.95Å; F284-A286 VanDerWaalsContact O-N 3.14Å; A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 HydrophobicContact CB-CD1 3.58Å; A286-Y288 HydrophobicContact CB-CE1 3.35Å; A286-Y288 PolarHBondContact O-N 3.48Å; A286-N289 WeakPolarHBondContact O-CB 3.25Å; A286-N289 PolarHBondContact O-N 3.37Å; A286-L290 PolarHBondContact O-N 2.93Å |
| 287 | H | 85.2 | Confident | 87.1 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | -179.6 | -173.5 | -117 | 0 | 0 | 0 | 112.9 | F275 N289 L290 T291 | F275-H287 HydrophobicContact CD1-CB 3.99Å; F275-H287 AromaticContact CD1-CD2 3.92Å; F275-H287 HydrophobicContact CD2-CB 4.49Å; F275-H287 VanDerWaalsContact CD2-N 3.31Å; F275-H287 HydrophobicContact CE1-CB 3.73Å; F275-H287 HydrophobicContact CE2-CB 4.26Å; F275-H287 HydrophobicContact CG-CB 4.36Å; F275-H287 HydrophobicContact CZ-CB 3.88Å; H287-N289 PolarHBondContact O-N 2.89Å; H287-N289 VanDerWaalsContact O-N 3.11Å; H287-L290 WeakPolarHBondContact O-CA 3.22Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.02Å; H287-T291 PolarHBondContact O-N 3.44Å; H287-T291 PolarHBondContact O-OG1 3.49Å |
| 288 | Y | 84.9 | Confident | 86.9 | Confident | 148 Ų | 148 | 75.8 Ų | 75.8 | 58% | 0.58 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.4 | -26.2 | 179.2 | 78.8 | -96.1 | 0 | 0 | 0 | 113.2 | A286 R292 | A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 HydrophobicContact CB-CD1 3.58Å; A286-Y288 HydrophobicContact CB-CE1 3.35Å; A286-Y288 PolarHBondContact O-N 3.48Å; Y288-R292 WeakPolarHBondContact O-CB 3.49Å; Y288-R292 PolarHBondContact O-N 3.37Å |
| 289 | N | 86.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.2 | -38.5 | 174.6 | -80.9 | -40.8 | 0 | 0 | 0 | 111.4 | F284 N285 A286 H287 R292 H293 | F284-N289 HydrophobicContact CB-CB 3.94Å; F284-N289 HydrophobicContact CD1-CB 3.89Å; F284-N289 HydrophobicContact CG-CB 4.18Å; N285-N289 PolarHBondContact OD1-ND2 3.16Å; A286-N289 WeakPolarHBondContact O-CB 3.25Å; A286-N289 PolarHBondContact O-N 3.37Å; H287-N289 PolarHBondContact O-N 2.89Å; H287-N289 VanDerWaalsContact O-N 3.11Å; N289-R292 PolarHBondContact OD1-NH2 3.41Å; N289-H293 WeakPolarHBondContact O-CB 3.16Å; N289-H293 PolarHBondContact O-N 3.26Å |
| 290 | L | 86.7 | Confident | 86.7 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 171.4 | 176.9 | 59.2 | 0 | 0 | 0 | 111.2 | F275 C277 F284 A286 H287 R292 H293 M294 | F275-L290 HydrophobicContact CB-CB 4.28Å; F275-L290 HydrophobicContact CB-CD2 4Å; C277-L290 HydrophobicContact CB-CD1 3.49Å; C277-L290 VanDerWaalsContact CB-CD1 3.49Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 4.01Å; F284-L290 HydrophobicContact CE2-CD1 4.13Å; F284-L290 HydrophobicContact CG-CB 4.49Å; A286-L290 PolarHBondContact O-N 2.93Å; H287-L290 WeakPolarHBondContact O-CA 3.22Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.02Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.83Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.29Å; L290-H293 VanDerWaalsContact O-CB 3.3Å; L290-H293 WeakPolarHBondContact O-CB 3.42Å; L290-H293 PolarHBondContact O-N 3.16Å; L290-M294 HydrophobicContact CD1-SD 3.77Å; L290-M294 HydrophobicContact CG-SD 4.39Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 2.78Å |
| 291 | T | 85.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 176.3 | -38.7 | 0 | 0 | 0 | 0 | 111.6 | H287 H293 M294 P295 | H287-T291 PolarHBondContact O-N 3.44Å; H287-T291 PolarHBondContact O-OG1 3.49Å; T291-H293 PolarHBondContact O-N 3.46Å; T291-M294 PolarHBondContact O-N 3.07Å; T291-P295 VanDerWaalsContact O-CD 3.31Å; T291-P295 WeakPolarHBondContact O-CD 3.28Å |
| 292 | R | 86.6 | Confident | 86.7 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.5 | -15.8 | 175.3 | -175 | 169.4 | 67.3 | 161.3 | -1.1 | 113.6 | Y288 N289 L290 Q314 | Y288-R292 WeakPolarHBondContact O-CB 3.49Å; Y288-R292 PolarHBondContact O-N 3.37Å; N289-R292 PolarHBondContact OD1-NH2 3.41Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.83Å; R292-Q314 HydrophobicContact CG-CG 4.06Å |
| 293 | H | 86.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 9% | 0.093 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -88.8 | -34.5 | 175 | 177.4 | 56.3 | 0 | 0 | 0 | 113 | C277 C280 F284 N289 L290 T291 P295 V296 H297 | C277-H293 VanDerWaalsContact SG-CD2 3.56Å; C280-H293 PolarHBondContact SG-NE2 2.39Å; C280-H293 VanDerWaalsContact SG-NE2 3.43Å; F284-H293 HydrophobicContact CE1-CB 4.17Å; F284-H293 HydrophobicContact CE2-CB 3.99Å; F284-H293 AromaticContact CE2-CD2 3.42Å; F284-H293 VanDerWaalsContact CE2-CD2 3.42Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.27Å; F284-H293 AromaticContact CE2-CG 3.76Å; F284-H293 HydrophobicContact CZ-CB 3.61Å; F284-H293 AromaticContact CZ-CD2 3.43Å; F284-H293 VanDerWaalsContact CZ-CD2 3.43Å; F284-H293 WeakPolarHBondContact CZ-CD2 3.44Å; F284-H293 AromaticContact CZ-CG 3.35Å; F284-H293 AromaticContact CZ-ND1 3.9Å; N289-H293 WeakPolarHBondContact O-CB 3.16Å; N289-H293 PolarHBondContact O-N 3.26Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.29Å; L290-H293 VanDerWaalsContact O-CB 3.3Å; L290-H293 WeakPolarHBondContact O-CB 3.42Å; L290-H293 PolarHBondContact O-N 3.16Å; T291-H293 PolarHBondContact O-N 3.46Å; H293-P295 VanDerWaalsContact C-CD 3.42Å; H293-P295 VanDerWaalsContact C-N 3.33Å; H293-P295 VanDerWaalsContact O-N 3.13Å; H293-V296 WeakPolarHBondContact O-CA 3.1Å; H293-V296 WeakPolarHBondContact O-CB 3.48Å; H293-V296 WeakPolarHBondContact O-CG2 3.26Å; H293-V296 PolarHBondContact O-N 2.91Å; H293-H297 AromaticContact CD2-NE2 2.98Å; H293-H297 PolarHBondContact CD2-NE2 2.67Å; H293-H297 AromaticContact CE1-NE2 3.2Å; H293-H297 PolarHBondContact CE1-NE2 3.2Å; H293-H297 AromaticContact NE2-CE1 3.78Å; H293-H297 AromaticContact NE2-NE2 2.28Å; H293-H297 PolarHBondContact NE2-NE2 3.07Å |
| 294 | M | 86 | Confident | 86.8 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -51.7 | -36.8 | -176.7 | -59.1 | -50.4 | -79.1 | 0 | 0 | 115.6 | L290 T291 V296 H297 T298 | L290-M294 HydrophobicContact CD1-SD 3.77Å; L290-M294 HydrophobicContact CG-SD 4.39Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 2.78Å; T291-M294 PolarHBondContact O-N 3.07Å; M294-V296 PolarHBondContact O-N 3.15Å; M294-H297 PolarHBondContact O-N 3.27Å; M294-T298 PolarHBondContact O-N 3.28Å |
| 295 | P | 88.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -59.5 | -9.8 | 171.8 | -26.6 | 36.4 | 0 | 0 | 0 | 115.4 | T291 H293 A300 R313 | T291-P295 VanDerWaalsContact O-CD 3.31Å; T291-P295 WeakPolarHBondContact O-CD 3.28Å; H293-P295 VanDerWaalsContact C-CD 3.42Å; H293-P295 VanDerWaalsContact C-N 3.33Å; H293-P295 VanDerWaalsContact O-N 3.13Å; P295-A300 HydrophobicContact CB-CB 4.4Å; P295-R313 HydrophobicContact CB-CB 4.3Å; P295-R313 HydrophobicContact CB-CG 3.96Å; P295-R313 VanDerWaalsContact O-CZ 3.26Å; P295-R313 PolarHBondContact O-NE 2.87Å; P295-R313 PolarHBondContact O-NH2 3.04Å; P295-R313 VanDerWaalsContact O-NH2 3.11Å |
| 296 | V | 87.1 | Confident | 86.9 | Confident | 60 Ų | 60 | 74 Ų | 74 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -65.8 | -42.6 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | H293 M294 R313 | H293-V296 WeakPolarHBondContact O-CA 3.1Å; H293-V296 WeakPolarHBondContact O-CB 3.48Å; H293-V296 WeakPolarHBondContact O-CG2 3.26Å; H293-V296 PolarHBondContact O-N 2.91Å; M294-V296 PolarHBondContact O-N 3.15Å; V296-R313 VanDerWaalsContact CA-CZ 3.49Å; V296-R313 PolarHBondContact O-NH2 3.04Å |
| 297 | H | 86.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -49.8 | -174.2 | -57.4 | -51.9 | 0 | 0 | 0 | 112.3 | C277 V279 C280 H293 M294 G299 | C277-H297 PolarHBondContact SG-NE2 3.24Å; V279-H297 HydrophobicContact CG1-CB 4Å; C280-H297 WeakPolarHBondContact CB-CE1 3Å; C280-H297 PolarHBondContact SG-CE1 2.91Å; C280-H297 PolarHBondContact SG-NE2 3.13Å; H293-H297 AromaticContact CD2-NE2 2.98Å; H293-H297 PolarHBondContact CD2-NE2 2.67Å; H293-H297 AromaticContact CE1-NE2 3.2Å; H293-H297 PolarHBondContact CE1-NE2 3.2Å; H293-H297 AromaticContact NE2-CE1 3.78Å; H293-H297 AromaticContact NE2-NE2 2.28Å; H293-H297 PolarHBondContact NE2-NE2 3.07Å; M294-H297 PolarHBondContact O-N 3.27Å; H297-G299 PolarHBondContact O-N 2.99Å |
| 298 | T | 84 | Confident | 87.1 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 63% | 0.632 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -68.7 | -4.1 | 179 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | M294 A300 | M294-T298 PolarHBondContact O-N 3.28Å; T298-A300 PolarHBondContact O-N 3.32Å; T298-A300 VanDerWaalsContact OG1-CB 3.32Å; T298-A300 WeakPolarHBondContact OG1-CB 3.46Å; T298-A300 PolarHBondContact OG1-N 3.32Å |
| 299 | G | 84.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 38% | 0.381 | 39% | 0.39 | S | S | . | . | trans | 68.1 | -7.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H297 | H297-G299 PolarHBondContact O-N 2.99Š| ||
| 300 | A | 84.9 | Confident | 87.3 | Confident | 41 Ų | 41 | 75 Ų | 75 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | trans | -55.6 | 143.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P295 T298 R313 | P295-A300 HydrophobicContact CB-CB 4.4Å; T298-A300 PolarHBondContact O-N 3.32Å; T298-A300 VanDerWaalsContact OG1-CB 3.32Å; T298-A300 WeakPolarHBondContact OG1-CB 3.46Å; T298-A300 PolarHBondContact OG1-N 3.32Å; A300-R313 WeakPolarHBondContact O-CG 3.49Å | ||
| 301 | R | 87.3 | Confident | 87.4 | Confident | 149 Ų | 149 | 74.4 Ų | 74.4 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | trans | -138.1 | 69.3 | -175.3 | -77.3 | 167.5 | 173.3 | -135.6 | 7 | 111.2 | F303 G311 F312 | R301-F303 PolarHBondContact O-N 3.29Å; R301-F303 VanDerWaalsContact O-N 3.08Å; R301-G311 VanDerWaalsContact CD-O 3.3Å; R301-G311 WeakPolarHBondContact CD-O 3.49Å; R301-G311 PolarHBondContact NH1-O 3.01Å; R301-F312 CarbonylContact C-O 3.48Å; R301-F312 VanDerWaalsContact CA-O 3.28Å; R301-F312 WeakPolarHBondContact CA-O 3.16Å | ||
| 302 | P | 85.9 | Confident | 87.6 | Confident | 88 Ų | 88 | 73 Ų | 73 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | trans | -61.5 | -23.2 | -171.9 | -22.6 | 34.4 | 0 | 0 | 0 | 114.3 | ||||
| 303 | F | 89.3 | Confident | 87.7 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 90.3 | -172.3 | -55.4 | -78.9 | 0 | 0 | 0 | 110.5 | R301 F312 Q314 A315 L318 | R301-F303 PolarHBondContact O-N 3.29Å; R301-F303 VanDerWaalsContact O-N 3.08Å; F303-F312 HydrophobicContact CB-CB 4.28Å; F303-F312 PolarHBondContact N-O 2.81Å; F303-F312 VanDerWaalsContact N-O 3.11Å; F303-F312 WeakPolarHBondContact O-CB 3.11Å; F303-F312 PolarHBondContact O-N 3.18Å; F303-Q314 VanDerWaalsContact CD2-C 3.42Å; F303-Q314 VanDerWaalsContact CD2-CA 3.49Å; F303-A315 HydrophobicContact CD1-CB 3.78Å; F303-A315 HydrophobicContact CE1-CB 3.67Å; F303-A315 HydrophobicContact CG-CB 4.36Å; F303-A315 HydrophobicContact CZ-CB 4.15Å; F303-L318 HydrophobicContact CB-CB 4.03Å; F303-L318 HydrophobicContact CB-CD2 3.87Å |
| 304 | V | 89.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.4 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | K306 | V304-K306 PolarHBondContact O-N 3.37Å |
| 305 | C | 91.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | trans | -80.6 | 111.6 | 172.2 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | V307 C308 G309 K310 F312 L318 H325 | C305-V307 PolarHBondContact O-N 2.58Å; C305-V307 VanDerWaalsContact O-N 3.16Å; C305-C308 PolarHBondContact O-N 3.34Å; C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.01Å; C305-K310 WeakPolarHBondContact CB-O 3.33Å; C305-K310 PolarHBondContact N-O 3.04Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; C305-L318 HydrophobicContact CB-CD1 3.55Å; C305-H325 PolarHBondContact SG-NE2 2.83Å | ||
| 306 | K | 89.6 | Confident | 87.6 | Confident | 215 Ų | 215 | 75.7 Ų | 75.7 | 94% | 0.935 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -32.2 | 178 | -65.9 | -167 | 175.8 | -169.7 | 0 | 113.8 | V304 | V304-K306 PolarHBondContact O-N 3.37Š|
| 307 | V | 88.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 74.2 Ų | 74.2 | 66% | 0.655 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.6 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 113.4 | C305 H325 | C305-V307 PolarHBondContact O-N 2.58Å; C305-V307 VanDerWaalsContact O-N 3.16Å; V307-H325 HydrophobicContact CG1-CB 4.28Å |
| 308 | C | 88.5 | Confident | 87.8 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | 13 | -171.7 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | C305 K310 H321 H325 | C305-C308 PolarHBondContact O-N 3.34Å; C308-K310 PolarHBondContact O-N 3.27Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; C308-H325 WeakPolarHBondContact CB-CE1 3.42Å; C308-H325 PolarHBondContact SG-CE1 3.18Å; C308-H325 PolarHBondContact SG-NE2 2.99Å |
| 309 | G | 87.1 | Confident | 87.9 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | trans | 64.9 | 0.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C305 G311 | C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.01Å; G309-G311 PolarHBondContact O-N 3.2Å; G309-G311 VanDerWaalsContact O-N 3.15Å | ||
| 310 | K | 88.8 | Confident | 87.9 | Confident | 119 Ų | 119 | 75 Ų | 75 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | trans | -71.9 | 113.1 | -175.2 | -69.8 | 176.6 | -174.2 | 170.9 | 0 | 110.4 | C305 C308 F312 | C305-K310 WeakPolarHBondContact CB-O 3.33Å; C305-K310 PolarHBondContact N-O 3.04Å; C308-K310 PolarHBondContact O-N 3.27Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.18Å; K310-F312 WeakPolarHBondContact O-CD2 3.42Å; K310-F312 WeakPolarHBondContact O-CE2 3.42Å | ||
| 311 | G | 89.5 | Confident | 88 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 139.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R301 G309 | R301-G311 VanDerWaalsContact CD-O 3.3Å; R301-G311 WeakPolarHBondContact CD-O 3.49Å; R301-G311 PolarHBondContact NH1-O 3.01Å; G309-G311 PolarHBondContact O-N 3.2Å; G309-G311 VanDerWaalsContact O-N 3.15Å |
| 312 | F | 89.3 | Confident | 87.9 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 21% | 0.211 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155.1 | -179.5 | -65 | -92.2 | 0 | 0 | 0 | 112.2 | R301 F303 C305 K310 L318 H321 | R301-F312 CarbonylContact C-O 3.48Å; R301-F312 VanDerWaalsContact CA-O 3.28Å; R301-F312 WeakPolarHBondContact CA-O 3.16Å; F303-F312 HydrophobicContact CB-CB 4.28Å; F303-F312 PolarHBondContact N-O 2.81Å; F303-F312 VanDerWaalsContact N-O 3.11Å; F303-F312 WeakPolarHBondContact O-CB 3.11Å; F303-F312 PolarHBondContact O-N 3.18Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.18Å; K310-F312 WeakPolarHBondContact O-CD2 3.42Å; K310-F312 WeakPolarHBondContact O-CE2 3.42Å; F312-L318 HydrophobicContact CB-CB 4.28Å; F312-L318 HydrophobicContact CD2-CB 4.1Å; F312-L318 HydrophobicContact CD2-CD1 3.9Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.29Å; F312-H321 HydrophobicContact CE1-CB 4.03Å; F312-H321 HydrophobicContact CE2-CB 4.02Å; F312-H321 AromaticContact CE2-CD2 3.25Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.41Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.57Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.17Å; F312-H321 AromaticContact CZ-CG 3.3Å; F312-H321 AromaticContact CZ-ND1 4Å; F312-H321 AromaticContact CZ-NE2 3.98Å |
| 313 | R | 88.2 | Confident | 87.9 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 36% | 0.362 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -81.8 | -15.4 | 179.7 | -72.6 | 173.2 | 171.5 | 158.1 | -7 | 114.4 | P295 V296 A300 | P295-R313 HydrophobicContact CB-CB 4.3Å; P295-R313 HydrophobicContact CB-CG 3.96Å; P295-R313 VanDerWaalsContact O-CZ 3.26Å; P295-R313 PolarHBondContact O-NE 2.87Å; P295-R313 PolarHBondContact O-NH2 3.04Å; P295-R313 VanDerWaalsContact O-NH2 3.11Å; V296-R313 VanDerWaalsContact CA-CZ 3.49Å; V296-R313 PolarHBondContact O-NH2 3.04Å; A300-R313 WeakPolarHBondContact O-CG 3.49Å |
| 314 | Q | 88.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 27% | 0.271 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -146.1 | 138 | -174.9 | -59.4 | 176.9 | 6 | 0 | 0 | 111.3 | R292 F303 S316 T317 L318 | R292-Q314 HydrophobicContact CG-CG 4.06Å; F303-Q314 VanDerWaalsContact CD2-C 3.42Å; F303-Q314 VanDerWaalsContact CD2-CA 3.49Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.96Å; Q314-T317 HydrophobicContact CB-CG2 4.11Å; Q314-T317 PolarHBondContact N-OG1 3.09Å; Q314-T317 PolarHBondContact O-N 3.18Å; Q314-T317 PolarHBondContact O-OG1 3.08Å; Q314-L318 PolarHBondContact O-N 3.11Å; Q314-L318 VanDerWaalsContact O-N 3.15Å |
| 315 | A | 86.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.9 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F303 T317 L318 C319 | F303-A315 HydrophobicContact CD1-CB 3.78Å; F303-A315 HydrophobicContact CE1-CB 3.67Å; F303-A315 HydrophobicContact CG-CB 4.36Å; F303-A315 HydrophobicContact CZ-CB 4.15Å; A315-T317 VanDerWaalsContact C-N 3.28Å; A315-T317 PolarHBondContact O-N 2.81Å; A315-L318 PolarHBondContact O-N 3.45Å; A315-L318 VanDerWaalsContact O-N 3.16Å; A315-C319 WeakPolarHBondContact O-CB 3.39Å; A315-C319 PolarHBondContact O-N 3.03Å |
| 316 | S | 86.6 | Confident | 86.8 | Confident | 74 Ų | 74 | 74 Ų | 74 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 176.5 | 58 | 0 | 0 | 0 | 0 | 113.2 | Q314 R320 | Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.96Å; S316-R320 WeakPolarHBondContact O-CB 3.42Å; S316-R320 PolarHBondContact O-N 2.8Å; S316-R320 VanDerWaalsContact O-N 3.08Å |
| 317 | T | 87.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 18% | 0.184 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.4 | -31.8 | 177.1 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | Q314 A315 H321 | Q314-T317 HydrophobicContact CB-CG2 4.11Å; Q314-T317 PolarHBondContact N-OG1 3.09Å; Q314-T317 PolarHBondContact O-N 3.18Å; Q314-T317 PolarHBondContact O-OG1 3.08Å; A315-T317 VanDerWaalsContact C-N 3.28Å; A315-T317 PolarHBondContact O-N 2.81Å; T317-H321 WeakPolarHBondContact O-CB 3.46Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 VanDerWaalsContact O-N 3.16Å |
| 318 | L | 89.2 | Confident | 85.8 | Confident | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.3 | -45.6 | 169.3 | 170.8 | 60.7 | 0 | 0 | 0 | 111.4 | F303 C305 F312 Q314 A315 R320 H321 K322 | F303-L318 HydrophobicContact CB-CB 4.03Å; F303-L318 HydrophobicContact CB-CD2 3.87Å; C305-L318 HydrophobicContact CB-CD1 3.55Å; F312-L318 HydrophobicContact CB-CB 4.28Å; F312-L318 HydrophobicContact CD2-CB 4.1Å; F312-L318 HydrophobicContact CD2-CD1 3.9Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.29Å; Q314-L318 PolarHBondContact O-N 3.11Å; Q314-L318 VanDerWaalsContact O-N 3.15Å; A315-L318 PolarHBondContact O-N 3.45Å; A315-L318 VanDerWaalsContact O-N 3.16Å; L318-R320 PolarHBondContact O-N 3.01Å; L318-H321 WeakPolarHBondContact O-CA 3.46Å; L318-H321 WeakPolarHBondContact O-CB 3.34Å; L318-H321 PolarHBondContact O-N 2.97Å; L318-K322 PolarHBondContact O-N 3.22Å |
| 319 | C | 85.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.1 | -51.9 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | A315 H321 K322 | A315-C319 WeakPolarHBondContact O-CB 3.39Å; A315-C319 PolarHBondContact O-N 3.03Å; C319-H321 PolarHBondContact O-N 2.89Å; C319-K322 WeakPolarHBondContact O-CB 3.44Å; C319-K322 PolarHBondContact O-N 3.1Å |
| 320 | R | 84.7 | Confident | 85.1 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -25.4 | 173.6 | -173.1 | 178.7 | 64.6 | -149.1 | -3.9 | 113.7 | S316 L318 | S316-R320 WeakPolarHBondContact O-CB 3.42Å; S316-R320 PolarHBondContact O-N 2.8Å; S316-R320 VanDerWaalsContact O-N 3.08Å; L318-R320 PolarHBondContact O-N 3.01Å |
| 321 | H | 87.6 | Confident | 84.9 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.5 | -33.1 | 174.4 | 171.8 | 51.1 | 0 | 0 | 0 | 112.6 | C308 F312 T317 L318 C319 I323 I324 H325 | C308-H321 PolarHBondContact SG-NE2 3.27Å; F312-H321 HydrophobicContact CE1-CB 4.03Å; F312-H321 HydrophobicContact CE2-CB 4.02Å; F312-H321 AromaticContact CE2-CD2 3.25Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.41Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.57Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.17Å; F312-H321 AromaticContact CZ-CG 3.3Å; F312-H321 AromaticContact CZ-ND1 4Å; F312-H321 AromaticContact CZ-NE2 3.98Å; T317-H321 WeakPolarHBondContact O-CB 3.46Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 VanDerWaalsContact O-N 3.16Å; L318-H321 WeakPolarHBondContact O-CA 3.46Å; L318-H321 WeakPolarHBondContact O-CB 3.34Å; L318-H321 PolarHBondContact O-N 2.97Å; C319-H321 PolarHBondContact O-N 2.89Å; H321-I323 PolarHBondContact O-N 3.14Å; H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 2.91Å; H321-H325 AromaticContact CD2-NE2 3.2Å; H321-H325 PolarHBondContact CD2-NE2 3.42Å; H321-H325 AromaticContact CE1-NE2 3.07Å; H321-H325 PolarHBondContact CE1-NE2 3.47Å; H321-H325 AromaticContact NE2-NE2 2.39Å; H321-H325 PolarHBondContact NE2-NE2 2.8Å |
| 322 | K | 85.2 | Confident | 84.7 | Confident | 124 Ų | 124 | 77 Ų | 77 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.8 | -33.9 | 178.2 | -68.7 | -175.9 | 176.5 | -175.2 | 0 | 112.9 | L318 C319 I324 H325 T326 | L318-K322 PolarHBondContact O-N 3.22Å; C319-K322 WeakPolarHBondContact O-CB 3.44Å; C319-K322 PolarHBondContact O-N 3.1Å; K322-I324 PolarHBondContact O-N 3.3Å; K322-I324 VanDerWaalsContact O-N 3.09Å; K322-H325 WeakPolarHBondContact O-CB 3.23Å; K322-H325 PolarHBondContact O-N 3.47Å; K322-T326 PolarHBondContact O-N 3.29Å |
| 323 | I | 84.5 | Confident | 84.6 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.5 | -25.9 | 175.8 | -51.4 | 175.8 | 0 | 0 | 0 | 112.4 | H321 H325 T326 Q327 E328 N341 | H321-I323 PolarHBondContact O-N 3.14Å; I323-H325 VanDerWaalsContact C-N 3.32Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 3.26Å; I323-Q327 PolarHBondContact O-N 2.76Å; I323-E328 HydrophobicContact CG2-CB 4.28Å; I323-E328 VanDerWaalsContact CG2-O 3.23Å; I323-E328 WeakPolarHBondContact CG2-O 3.42Å; I323-N341 HydrophobicContact CG2-CB 3.95Å |
| 324 | I | 83.8 | Confident | 84.3 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.4 | -25.6 | 176.8 | -56.3 | -178.2 | 0 | 0 | 0 | 111.6 | H321 K322 Q327 | H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 2.91Å; K322-I324 PolarHBondContact O-N 3.3Å; K322-I324 VanDerWaalsContact O-N 3.09Å; I324-Q327 PolarHBondContact O-NE2 2.84Å |
| 325 | H | 83.9 | Confident | 84.1 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -86.2 | -36.2 | 177.3 | -59.8 | -57.6 | 0 | 0 | 0 | 112.2 | C305 V307 C308 H321 K322 I323 Q327 | C305-H325 PolarHBondContact SG-NE2 2.83Å; V307-H325 HydrophobicContact CG1-CB 4.28Å; C308-H325 WeakPolarHBondContact CB-CE1 3.42Å; C308-H325 PolarHBondContact SG-CE1 3.18Å; C308-H325 PolarHBondContact SG-NE2 2.99Å; H321-H325 AromaticContact CD2-NE2 3.2Å; H321-H325 PolarHBondContact CD2-NE2 3.42Å; H321-H325 AromaticContact CE1-NE2 3.07Å; H321-H325 PolarHBondContact CE1-NE2 3.47Å; H321-H325 AromaticContact NE2-NE2 2.39Å; H321-H325 PolarHBondContact NE2-NE2 2.8Å; K322-H325 WeakPolarHBondContact O-CB 3.23Å; K322-H325 PolarHBondContact O-N 3.47Å; I323-H325 VanDerWaalsContact C-N 3.32Å; H325-Q327 PolarHBondContact O-N 3.08Å |
| 326 | T | 80.8 | Confident | 84.1 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.2 | -11.9 | 174.5 | 59 | 0 | 0 | 0 | 0 | 113.2 | K322 I323 E328 | K322-T326 PolarHBondContact O-N 3.29Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 3.26Å; T326-E328 WeakPolarHBondContact CB-OE2 3.25Å; T326-E328 PolarHBondContact O-N 2.55Å; T326-E328 WeakPolarHBondContact OG1-CG 3.3Å; T326-E328 PolarHBondContact OG1-OE2 3.16Å |
| 327 | Q | 77.5 | Confident | 83.9 | Confident | 126 Ų | 126 | 75.8 Ų | 75.8 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | trans | 57.2 | 9.7 | -173.4 | -66 | -65.5 | -25.9 | 0 | 0 | 115 | I323 I324 H325 | I323-Q327 PolarHBondContact O-N 2.76Å; I324-Q327 PolarHBondContact O-NE2 2.84Å; H325-Q327 PolarHBondContact O-N 3.08Å | ||
| 328 | E | 78.4 | Confident | 83.9 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | trans | -61.4 | 139.5 | 179 | -69.2 | 167.3 | 122.8 | 0 | 0 | 110.9 | I323 T326 | I323-E328 HydrophobicContact CG2-CB 4.28Å; I323-E328 VanDerWaalsContact CG2-O 3.23Å; I323-E328 WeakPolarHBondContact CG2-O 3.42Å; T326-E328 WeakPolarHBondContact CB-OE2 3.25Å; T326-E328 PolarHBondContact O-N 2.55Å; T326-E328 WeakPolarHBondContact OG1-CG 3.3Å; T326-E328 PolarHBondContact OG1-OE2 3.16Å | ||
| 329 | K | 81.7 | Confident | 83.8 | Confident | 108 Ų | 108 | 80.7 Ų | 80.7 | 47% | 0.47 | 42% | 0.417 | S | S | . | . | trans | -129.2 | 75.2 | 179.3 | -70.3 | 159.6 | -172.3 | 166.5 | 0 | 108.5 | H331 A339 F340 | K329-H331 PolarHBondContact O-N 3.32Å; K329-H331 VanDerWaalsContact O-N 3.14Å; K329-A339 HydrophobicContact CB-CB 3.46Å; K329-A339 VanDerWaalsContact CB-CB 3.46Å; K329-A339 HydrophobicContact CD-CB 4.14Å; K329-A339 HydrophobicContact CG-CB 4.35Å; K329-F340 CarbonylContact C-O 3.48Å; K329-F340 VanDerWaalsContact C-O 3.24Å; K329-F340 WeakPolarHBondContact CA-O 3.39Å | ||
| 330 | P | 80.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 79 Ų | 79 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | trans | -63 | -23.8 | -170.1 | -23.7 | 35.4 | 0 | 0 | 0 | 113.8 | ||||
| 331 | H | 84.2 | Confident | 83.7 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 92.6 | -172.6 | -50.6 | -79.2 | 0 | 0 | 0 | 110 | T251 K329 F340 R342 S343 L346 | T251-H331 VanDerWaalsContact CG2-ND1 3.29Å; T251-H331 WeakPolarHBondContact CG2-ND1 3.28Å; K329-H331 PolarHBondContact O-N 3.32Å; K329-H331 VanDerWaalsContact O-N 3.14Å; H331-F340 HydrophobicContact CB-CB 4.45Å; H331-F340 PolarHBondContact N-O 3.28Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.39Å; H331-R342 VanDerWaalsContact CD2-CA 3.42Å; H331-R342 WeakPolarHBondContact CD2-CA 3.43Å; H331-R342 PolarHBondContact CD2-N 3Å; H331-S343 PolarHBondContact CD2-N 3.23Å; H331-S343 PolarHBondContact NE2-N 3.23Å; H331-S343 VanDerWaalsContact NE2-N 3.19Å; H331-L346 HydrophobicContact CB-CB 4.16Å; H331-L346 HydrophobicContact CB-CD2 3.71Å |
| 332 | K | 85.3 | Confident | 83.5 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 62% | 0.622 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 146 | 176.5 | -64 | -176.4 | 179 | -179.5 | 0 | 111.2 | A339 L346 | K332-A339 HydrophobicContact CG-CB 3.98Å; K332-L346 WeakPolarHBondContact O-CD2 3.3Å |
| 333 | C | 87.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | trans | -94 | 110.6 | 172 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | Q335 C336 G337 K338 F340 L346 H353 | C333-Q335 PolarHBondContact O-N 3.15Å; C333-Q335 VanDerWaalsContact O-N 3.17Å; C333-C336 PolarHBondContact O-N 2.99Å; C333-C336 VanDerWaalsContact O-N 3.16Å; C333-G337 WeakPolarHBondContact O-CA 3.32Å; C333-G337 PolarHBondContact O-N 3.49Å; C333-K338 WeakPolarHBondContact CB-O 3.39Å; C333-K338 PolarHBondContact N-O 2.68Å; C333-F340 HydrophobicContact CB-CE2 4.36Å; C333-L346 HydrophobicContact CB-CD1 3.52Å; C333-H353 PolarHBondContact SG-NE2 3.16Å | ||
| 334 | N | 82.3 | Confident | 83.4 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.7 | -177.1 | -59.7 | -6.2 | 0 | 0 | 0 | 112.8 | C336 | N334-C336 VanDerWaalsContact C-N 3.33Å; N334-C336 PolarHBondContact O-N 3.06Å |
| 335 | Q | 83.4 | Confident | 83.6 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.2 | -177.8 | -68.4 | 172.4 | -26.9 | 0 | 0 | 114.9 | C333 H353 | C333-Q335 PolarHBondContact O-N 3.15Å; C333-Q335 VanDerWaalsContact O-N 3.17Å; Q335-H353 VanDerWaalsContact OE1-CB 3.26Å; Q335-H353 PolarHBondContact OE1-CD2 3.38Å |
| 336 | C | 86.1 | Confident | 83.8 | Confident | 43 Ų | 43 | 72 Ų | 72 | 29% | 0.291 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.9 | 13.6 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 115.6 | C333 N334 K338 H349 H353 | C333-C336 PolarHBondContact O-N 2.99Å; C333-C336 VanDerWaalsContact O-N 3.16Å; N334-C336 VanDerWaalsContact C-N 3.33Å; N334-C336 PolarHBondContact O-N 3.06Å; C336-K338 PolarHBondContact O-N 2.76Å; C336-H349 PolarHBondContact SG-NE2 3.24Å; C336-H353 WeakPolarHBondContact CB-CE1 3.22Å; C336-H353 WeakPolarHBondContact CB-NE2 3.42Å; C336-H353 PolarHBondContact SG-CE1 3.09Å; C336-H353 PolarHBondContact SG-NE2 2.92Å |
| 337 | G | 83 | Confident | 84 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | trans | 67.3 | -13.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C333 A339 | C333-G337 WeakPolarHBondContact O-CA 3.32Å; C333-G337 PolarHBondContact O-N 3.49Å; G337-A339 PolarHBondContact O-N 3.11Å | ||
| 338 | K | 86.4 | Confident | 84.4 | Confident | 120 Ų | 120 | 66.6 Ų | 66.6 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | trans | -62.8 | 125.4 | -171.9 | -69.9 | 173.3 | -172.5 | 164.5 | 0 | 111.4 | C333 C336 F340 | C333-K338 WeakPolarHBondContact CB-O 3.39Å; C333-K338 PolarHBondContact N-O 2.68Å; C336-K338 PolarHBondContact O-N 2.76Å; K338-F340 HydrophobicContact CB-CE2 3.91Å; K338-F340 HydrophobicContact CB-CZ 4.16Å; K338-F340 WeakPolarHBondContact O-CD2 3.36Å; K338-F340 VanDerWaalsContact O-CE2 3.26Å; K338-F340 WeakPolarHBondContact O-CE2 3.42Å | ||
| 339 | A | 86.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K329 K332 G337 | K329-A339 HydrophobicContact CB-CB 3.46Å; K329-A339 VanDerWaalsContact CB-CB 3.46Å; K329-A339 HydrophobicContact CD-CB 4.14Å; K329-A339 HydrophobicContact CG-CB 4.35Å; K332-A339 HydrophobicContact CG-CB 3.98Å; G337-A339 PolarHBondContact O-N 3.11Å |
| 340 | F | 85.1 | Confident | 85.1 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.8 | -175.2 | -59.8 | -91.8 | 0 | 0 | 0 | 111.7 | K329 H331 C333 K338 R342 L346 H349 | K329-F340 CarbonylContact C-O 3.48Å; K329-F340 VanDerWaalsContact C-O 3.24Å; K329-F340 WeakPolarHBondContact CA-O 3.39Å; H331-F340 HydrophobicContact CB-CB 4.45Å; H331-F340 PolarHBondContact N-O 3.28Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.39Å; C333-F340 HydrophobicContact CB-CE2 4.36Å; K338-F340 HydrophobicContact CB-CE2 3.91Å; K338-F340 HydrophobicContact CB-CZ 4.16Å; K338-F340 WeakPolarHBondContact O-CD2 3.36Å; K338-F340 VanDerWaalsContact O-CE2 3.26Å; K338-F340 WeakPolarHBondContact O-CE2 3.42Å; F340-R342 VanDerWaalsContact C-N 3.3Å; F340-R342 PolarHBondContact O-N 2.97Å; F340-L346 HydrophobicContact CB-CB 4.34Å; F340-L346 HydrophobicContact CD2-CB 4.06Å; F340-L346 HydrophobicContact CD2-CD1 3.88Å; F340-L346 HydrophobicContact CE2-CD1 4.06Å; F340-L346 HydrophobicContact CG-CB 4.33Å; F340-H349 HydrophobicContact CE1-CB 4.19Å; F340-H349 HydrophobicContact CE2-CB 4.15Å; F340-H349 AromaticContact CE2-CD2 3.32Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.49Å; F340-H349 AromaticContact CE2-CG 3.89Å; F340-H349 HydrophobicContact CZ-CB 3.69Å; F340-H349 AromaticContact CZ-CD2 3.31Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.35Å; F340-H349 AromaticContact CZ-CG 3.46Å; F340-H349 VanDerWaalsContact CZ-CG 3.46Å |
| 341 | N | 84.2 | Confident | 85.5 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -83.1 | 0.8 | 177.2 | 63.4 | 4.5 | 0 | 0 | 0 | 114.2 | I323 | I323-N341 HydrophobicContact CG2-CB 3.95Š|
| 342 | R | 83.3 | Confident | 85.6 | Confident | 101 Ų | 101 | 58 Ų | 58 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | trans | -148.8 | 134.8 | 177.6 | -63.9 | 172.5 | 55 | 172.2 | -5.4 | 111.6 | H331 F340 S344 T345 L346 | H331-R342 VanDerWaalsContact CD2-CA 3.42Å; H331-R342 WeakPolarHBondContact CD2-CA 3.43Å; H331-R342 PolarHBondContact CD2-N 3Å; F340-R342 VanDerWaalsContact C-N 3.3Å; F340-R342 PolarHBondContact O-N 2.97Å; R342-S344 PolarHBondContact NE-OG 2.81Å; R342-S344 PolarHBondContact NH2-OG 2.93Å; R342-S344 PolarHBondContact O-N 2.93Å; R342-T345 PolarHBondContact O-N 3.39Å; R342-T345 PolarHBondContact O-OG1 3.18Å; R342-L346 PolarHBondContact O-N 2.8Å | ||
| 343 | S | 84 | Confident | 85.6 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53 | -41.5 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 112 | H331 T345 L346 N347 | H331-S343 PolarHBondContact CD2-N 3.23Å; H331-S343 PolarHBondContact NE2-N 3.23Å; H331-S343 VanDerWaalsContact NE2-N 3.19Å; S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.1Å; S343-L346 PolarHBondContact O-N 3.25Å; S343-N347 PolarHBondContact O-N 3.2Å; S343-N347 PolarHBondContact O-OD1 3.48Å; S343-N347 VanDerWaalsContact O-OD1 3.13Å |
| 344 | S | 84.8 | Confident | 85.4 | Confident | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -32.7 | 178.1 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | R342 T348 | R342-S344 PolarHBondContact NE-OG 2.81Å; R342-S344 PolarHBondContact NH2-OG 2.93Å; R342-S344 PolarHBondContact O-N 2.93Å; S344-T348 WeakPolarHBondContact O-CG2 3.41Å; S344-T348 PolarHBondContact O-N 3.5Å |
| 345 | T | 86.5 | Confident | 85.5 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -83.1 | -35.3 | 177.3 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | R342 S343 T348 H349 | R342-T345 PolarHBondContact O-N 3.39Å; R342-T345 PolarHBondContact O-OG1 3.18Å; S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.1Å; T345-T348 WeakPolarHBondContact CA-OG1 3.26Å; T345-T348 PolarHBondContact O-N 3.29Å; T345-T348 PolarHBondContact O-OG1 2.88Å; T345-H349 PolarHBondContact O-N 2.84Å |
| 346 | L | 88.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.9 | -47.9 | 168.4 | 174.8 | 57.3 | 0 | 0 | 0 | 111.3 | N247 H331 K332 C333 F340 R342 S343 T348 H349 I350 | N247-L346 HydrophobicContact CB-CD2 4.5Å; N247-L346 WeakPolarHBondContact OD1-CD2 3.32Å; H331-L346 HydrophobicContact CB-CB 4.16Å; H331-L346 HydrophobicContact CB-CD2 3.71Å; K332-L346 WeakPolarHBondContact O-CD2 3.3Å; C333-L346 HydrophobicContact CB-CD1 3.52Å; F340-L346 HydrophobicContact CB-CB 4.34Å; F340-L346 HydrophobicContact CD2-CB 4.06Å; F340-L346 HydrophobicContact CD2-CD1 3.88Å; F340-L346 HydrophobicContact CE2-CD1 4.06Å; F340-L346 HydrophobicContact CG-CB 4.33Å; R342-L346 PolarHBondContact O-N 2.8Å; S343-L346 PolarHBondContact O-N 3.25Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.11Å; L346-H349 CarbonylContact O-C 3.57Å; L346-H349 WeakPolarHBondContact O-CA 3.36Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.12Å; L346-I350 HydrophobicContact CD1-CD1 3.86Å; L346-I350 HydrophobicContact CD1-CG1 3.93Å; L346-I350 HydrophobicContact CG-CD1 3.77Å; L346-I350 HydrophobicContact CG-CG1 4.35Å; L346-I350 WeakPolarHBondContact O-CG1 3.31Å; L346-I350 PolarHBondContact O-N 3.32Å |
| 347 | N | 85.4 | Confident | 85.8 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 177 | -65.2 | 13.8 | 0 | 0 | 0 | 112.2 | L244 S343 H349 | L244-N347 HydrophobicContact CD2-CB 3.74Å; L244-N347 VanDerWaalsContact CD2-CG 3.42Å; S343-N347 PolarHBondContact O-N 3.2Å; S343-N347 PolarHBondContact O-OD1 3.48Å; S343-N347 VanDerWaalsContact O-OD1 3.13Å; N347-H349 VanDerWaalsContact C-N 3.31Å |
| 348 | T | 86.9 | Confident | 86 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -23.5 | 170.9 | 63.2 | 0 | 0 | 0 | 0 | 114 | S344 T345 L346 | S344-T348 WeakPolarHBondContact O-CG2 3.41Å; S344-T348 PolarHBondContact O-N 3.5Å; T345-T348 WeakPolarHBondContact CA-OG1 3.26Å; T345-T348 PolarHBondContact O-N 3.29Å; T345-T348 PolarHBondContact O-OG1 2.88Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.11Å |
| 349 | H | 88.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -83.4 | -41.3 | 178.9 | 171.5 | 47.9 | 0 | 0 | 0 | 112.5 | C336 F340 T345 L346 N347 R351 I352 H353 | C336-H349 PolarHBondContact SG-NE2 3.24Å; F340-H349 HydrophobicContact CE1-CB 4.19Å; F340-H349 HydrophobicContact CE2-CB 4.15Å; F340-H349 AromaticContact CE2-CD2 3.32Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.49Å; F340-H349 AromaticContact CE2-CG 3.89Å; F340-H349 HydrophobicContact CZ-CB 3.69Å; F340-H349 AromaticContact CZ-CD2 3.31Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.35Å; F340-H349 AromaticContact CZ-CG 3.46Å; F340-H349 VanDerWaalsContact CZ-CG 3.46Å; T345-H349 PolarHBondContact O-N 2.84Å; L346-H349 CarbonylContact O-C 3.57Å; L346-H349 WeakPolarHBondContact O-CA 3.36Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.12Å; N347-H349 VanDerWaalsContact C-N 3.31Å; H349-R351 PolarHBondContact O-N 3.31Å; H349-I352 VanDerWaalsContact O-CB 3.22Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 WeakPolarHBondContact O-CG1 3.44Å; H349-I352 PolarHBondContact O-N 3.18Å; H349-H353 AromaticContact CD2-NE2 3.6Å; H349-H353 AromaticContact CE1-CE1 3.99Å; H349-H353 AromaticContact CE1-NE2 3.37Å; H349-H353 PolarHBondContact CE1-NE2 3.16Å; H349-H353 AromaticContact NE2-NE2 2.76Å; H349-H353 PolarHBondContact NE2-NE2 3.17Å |
| 350 | I | 86.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -34.2 | 178.1 | -64.8 | 157.7 | 0 | 0 | 0 | 111.2 | L240 V243 L346 I352 H353 A354 | L240-I350 HydrophobicContact CD1-CB 4.38Å; L240-I350 HydrophobicContact CD1-CG2 3.63Å; V243-I350 HydrophobicContact CB-CG2 4.19Å; V243-I350 HydrophobicContact CG1-CD1 4.06Å; V243-I350 HydrophobicContact CG1-CG1 4.29Å; V243-I350 HydrophobicContact CG1-CG2 3.61Å; L346-I350 HydrophobicContact CD1-CD1 3.86Å; L346-I350 HydrophobicContact CD1-CG1 3.93Å; L346-I350 HydrophobicContact CG-CD1 3.77Å; L346-I350 HydrophobicContact CG-CG1 4.35Å; L346-I350 WeakPolarHBondContact O-CG1 3.31Å; L346-I350 PolarHBondContact O-N 3.32Å; I350-I352 PolarHBondContact O-N 3.14Å; I350-I352 VanDerWaalsContact O-N 3.1Å; I350-H353 PolarHBondContact O-N 3.2Å; I350-H353 VanDerWaalsContact O-N 3.09Å; I350-A354 PolarHBondContact O-N 3.17Å |
| 351 | R | 88.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -17.4 | 172.6 | -70.7 | -166.1 | -63.2 | -152.8 | -1.4 | 115.1 | L240 H349 G355 Y356 H369 | L240-R351 HydrophobicContact CD1-CG 4.1Å; L240-R351 HydrophobicContact CD2-CG 3.86Å; H349-R351 PolarHBondContact O-N 3.31Å; R351-G355 CarbonylContact O-C 3.33Å; R351-G355 PolarHBondContact O-N 3.2Å; R351-Y356 HydrophobicContact CG-CD1 4.15Å; R351-Y356 PolarHBondContact O-N 3.37Å; R351-Y356 VanDerWaalsContact O-N 3.08Å; R351-H369 PolarHBondContact NE-O 2.65Å; R351-H369 PolarHBondContact NH2-O 3.24Å; R351-H369 PolarHBondContact O-CE1 3.13Å; R351-H369 VanDerWaalsContact O-CE1 3.23Å; R351-H369 PolarHBondContact O-ND1 3.2Å |
| 352 | I | 86.8 | Confident | 86.8 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.6 | -46.7 | 174.2 | -54.5 | 176 | 0 | 0 | 0 | 109.3 | H349 I350 G355 | H349-I352 VanDerWaalsContact O-CB 3.22Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 WeakPolarHBondContact O-CG1 3.44Å; H349-I352 PolarHBondContact O-N 3.18Å; I350-I352 PolarHBondContact O-N 3.14Å; I350-I352 VanDerWaalsContact O-N 3.1Å; I352-G355 PolarHBondContact O-N 2.77Å |
| 353 | H | 84.3 | Confident | 86.9 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 40% | 0.403 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.2 | -59.2 | -53.9 | 0 | 0 | 0 | 111.7 | C333 Q335 C336 H349 I350 G355 | C333-H353 PolarHBondContact SG-NE2 3.16Å; Q335-H353 VanDerWaalsContact OE1-CB 3.26Å; Q335-H353 PolarHBondContact OE1-CD2 3.38Å; C336-H353 WeakPolarHBondContact CB-CE1 3.22Å; C336-H353 WeakPolarHBondContact CB-NE2 3.42Å; C336-H353 PolarHBondContact SG-CE1 3.09Å; C336-H353 PolarHBondContact SG-NE2 2.92Å; H349-H353 AromaticContact CD2-NE2 3.6Å; H349-H353 AromaticContact CE1-CE1 3.99Å; H349-H353 AromaticContact CE1-NE2 3.37Å; H349-H353 PolarHBondContact CE1-NE2 3.16Å; H349-H353 AromaticContact NE2-NE2 2.76Å; H349-H353 PolarHBondContact NE2-NE2 3.17Å; I350-H353 PolarHBondContact O-N 3.2Å; I350-H353 VanDerWaalsContact O-N 3.09Å; H353-G355 PolarHBondContact O-N 3.09Å |
| 354 | A | 83.9 | Confident | 87.1 | Confident | 37 Ų | 37 | 52 Ų | 52 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 5.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L240 I350 Y356 | L240-A354 HydrophobicContact CB-CB 4.07Å; L240-A354 HydrophobicContact CD1-CB 4.27Å; I350-A354 PolarHBondContact O-N 3.17Å; A354-Y356 PolarHBondContact O-N 3.19Å |
| 355 | G | 84.5 | Confident | 87.2 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | trans | 63.9 | -12.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | R351 I352 H353 K357 | R351-G355 CarbonylContact O-C 3.33Å; R351-G355 PolarHBondContact O-N 3.2Å; I352-G355 PolarHBondContact O-N 2.77Å; H353-G355 PolarHBondContact O-N 3.09Å; G355-K357 WeakPolarHBondContact O-CE 3.49Å; G355-K357 WeakPolarHBondContact O-CG 3.13Å; G355-K357 PolarHBondContact O-N 2.84Å | ||
| 356 | Y | 86 | Confident | 87.3 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | trans | -66.2 | 119.7 | -164.8 | -176.5 | -120.1 | 0 | 0 | 0 | 114.1 | L236 P237 L240 R351 A354 P358 H369 | L236-Y356 HydrophobicContact CD2-CE1 3.98Å; L236-Y356 HydrophobicContact CG-CE1 4.22Å; P237-Y356 HydrophobicContact CG-CD2 3.76Å; P237-Y356 HydrophobicContact CG-CE2 4.3Å; P237-Y356 HydrophobicContact CG-CG 4.22Å; L240-Y356 HydrophobicContact CD2-CD1 3.28Å; L240-Y356 HydrophobicContact CD2-CE1 3.99Å; L240-Y356 HydrophobicContact CD2-CG 3.78Å; R351-Y356 HydrophobicContact CG-CD1 4.15Å; R351-Y356 PolarHBondContact O-N 3.37Å; R351-Y356 VanDerWaalsContact O-N 3.08Å; A354-Y356 PolarHBondContact O-N 3.19Å; Y356-P358 VanDerWaalsContact C-CD 3.49Å; Y356-P358 HydrophobicContact CD1-CB 4.44Å; Y356-P358 HydrophobicContact CD1-CG 4.07Å; Y356-P358 HydrophobicContact CE1-CB 3.73Å; Y356-P358 HydrophobicContact CE1-CG 3.73Å; Y356-P358 HydrophobicContact CE2-CB 4.49Å; Y356-P358 VanDerWaalsContact O-CD 3.27Å; Y356-P358 WeakPolarHBondContact O-CD 3.39Å; Y356-H369 PolarHBondContact O-ND1 3.05Å | ||
| 357 | K | 89.4 | Confident | 87.3 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | trans | -121.3 | 70.4 | -171.4 | -72.7 | 154.9 | -172 | 167.2 | 0 | 111.7 | G355 F359 F368 | G355-K357 WeakPolarHBondContact O-CE 3.49Å; G355-K357 WeakPolarHBondContact O-CG 3.13Å; G355-K357 PolarHBondContact O-N 2.84Å; K357-F359 PolarHBondContact O-N 3.15Å; K357-F368 CarbonylContact C-O 3.58Å | ||
| 358 | P | 86.6 | Confident | 87.4 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | trans | -69.8 | 17.3 | -172.3 | 29.6 | -37.3 | 0 | 0 | 0 | 115.8 | Y356 | Y356-P358 VanDerWaalsContact C-CD 3.49Å; Y356-P358 HydrophobicContact CD1-CB 4.44Å; Y356-P358 HydrophobicContact CD1-CG 4.07Å; Y356-P358 HydrophobicContact CE1-CB 3.73Å; Y356-P358 HydrophobicContact CE1-CG 3.73Å; Y356-P358 HydrophobicContact CE2-CB 4.49Å; Y356-P358 VanDerWaalsContact O-CD 3.27Å; Y356-P358 WeakPolarHBondContact O-CD 3.39Å | ||
| 359 | F | 90.2 | Very high | 87.4 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 87.4 | 176.8 | -52.6 | -69.5 | 0 | 0 | 0 | 108.4 | K357 F368 Q370 K371 Y374 | K357-F359 PolarHBondContact O-N 3.15Å; F359-F368 HydrophobicContact CB-CB 4.4Å; F359-F368 WeakPolarHBondContact CD2-O 3.33Å; F359-F368 PolarHBondContact N-O 2.99Å; F359-F368 PolarHBondContact O-N 2.73Å; F359-Q370 VanDerWaalsContact CD2-C 3.46Å; F359-K371 HydrophobicContact CD1-CB 4.19Å; F359-K371 HydrophobicContact CD1-CG 4.18Å; F359-K371 HydrophobicContact CD2-CB 4.33Å; F359-K371 HydrophobicContact CE1-CB 3.82Å; F359-K371 HydrophobicContact CE1-CD 3.92Å; F359-K371 HydrophobicContact CE1-CG 3.93Å; F359-K371 HydrophobicContact CE2-CB 3.96Å; F359-K371 VanDerWaalsContact CE2-N 3.31Å; F359-K371 HydrophobicContact CG-CB 4.45Å; F359-K371 HydrophobicContact CZ-CB 3.7Å; F359-K371 HydrophobicContact CZ-CD 4.38Å; F359-K371 HydrophobicContact CZ-CG 4.32Å; F359-Y374 HydrophobicContact CB-CD2 3.9Å; F359-Y374 HydrophobicContact CB-CG 3.77Å |
| 360 | V | 90 | Very high | 87.4 | Confident | 78 Ų | 78 | 60 Ų | 60 | 47% | 0.473 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.6 | -179.6 | -177 | 0 | 0 | 0 | 0 | 110.1 | E362 Y374 | V360-E362 PolarHBondContact O-N 2.94Å; V360-Y374 VanDerWaalsContact O-CE2 3.31Å; V360-Y374 WeakPolarHBondContact O-CE2 3.4Å |
| 361 | C | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -82.4 | 111.6 | 178 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | F363 C364 G365 K366 Y374 H381 | C361-F363 PolarHBondContact O-N 2.76Å; C361-C364 PolarHBondContact O-N 3.37Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C361-G365 PolarHBondContact O-N 3.29Å; C361-K366 PolarHBondContact N-O 3.19Å; C361-Y374 HydrophobicContact CB-CE2 4.46Å; C361-H381 VanDerWaalsContact SG-CD2 3.51Å; C361-H381 PolarHBondContact SG-NE2 3.11Å; C361-H381 VanDerWaalsContact SG-NE2 3.39Å | ||
| 362 | E | 88.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -45.4 | 177.4 | -52 | 108.1 | -104.9 | 0 | 0 | 112.4 | Y230 V360 C364 Y374 K378 | Y230-E362 HydrophobicContact CE2-CG 4.43Å; V360-E362 PolarHBondContact O-N 2.94Å; E362-C364 VanDerWaalsContact C-N 3.3Å; E362-C364 PolarHBondContact O-N 3.18Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å; E362-K378 VanDerWaalsContact CD-NZ 3.26Å; E362-K378 IonicContact OE1-NZ 2.61Å; E362-K378 PolarHBondContact OE1-NZ 3.26Å; E362-K378 VanDerWaalsContact OE1-NZ 3.07Å; E362-K378 IonicContact OE2-NZ 2.63Å; E362-K378 PolarHBondContact OE2-NZ 2.91Å |
| 363 | F | 85 | Confident | 87.3 | Confident | 137 Ų | 137 | 65 Ų | 65 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.5 | -175.3 | -58.2 | -59.4 | 0 | 0 | 0 | 116.1 | C361 K378 H381 | C361-F363 PolarHBondContact O-N 2.76Å; F363-K378 HydrophobicContact CE2-CG 4.35Å; F363-H381 HydrophobicContact CD2-CB 4.02Å; F363-H381 AromaticContact CD2-CD2 4Å |
| 364 | C | 88.5 | Confident | 87.6 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 32% | 0.324 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.2 | 18.3 | -176.7 | 74 | 0 | 0 | 0 | 0 | 116.1 | C361 E362 K366 H377 H381 | C361-C364 PolarHBondContact O-N 3.37Å; C361-C364 VanDerWaalsContact O-N 3.11Å; E362-C364 VanDerWaalsContact C-N 3.3Å; E362-C364 PolarHBondContact O-N 3.18Å; C364-K366 PolarHBondContact O-N 2.86Å; C364-H377 PolarHBondContact SG-NE2 2.28Å; C364-H381 PolarHBondContact SG-NE2 3.3Å; C364-H381 VanDerWaalsContact SG-NE2 3.36Å |
| 365 | G | 85.9 | Confident | 87.7 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | trans | 64.7 | -0.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | C361 G367 | C361-G365 PolarHBondContact O-N 3.29Å; G365-G367 PolarHBondContact O-N 3.18Å | ||
| 366 | K | 88.8 | Confident | 87.7 | Confident | 127 Ų | 127 | 68.2 Ų | 68.2 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | trans | -74.2 | 113.7 | -172.5 | -72.9 | 177.4 | -174.9 | 172.5 | 0 | 111.1 | C361 C364 F368 | C361-K366 PolarHBondContact N-O 3.19Å; C364-K366 PolarHBondContact O-N 2.86Å; K366-F368 HydrophobicContact CB-CE2 3.83Å; K366-F368 HydrophobicContact CB-CZ 4.2Å; K366-F368 VanDerWaalsContact O-CD2 3.26Å; K366-F368 WeakPolarHBondContact O-CD2 3.48Å; K366-F368 WeakPolarHBondContact O-CE2 3.33Å | ||
| 367 | G | 89.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G365 | G365-G367 PolarHBondContact O-N 3.18Å |
| 368 | F | 87.6 | Confident | 87.5 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 20% | 0.197 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.1 | -179.1 | -63 | -95.4 | 0 | 0 | 0 | 112.5 | K357 F359 K366 Q370 N373 Y374 H377 | K357-F368 CarbonylContact C-O 3.58Å; F359-F368 HydrophobicContact CB-CB 4.4Å; F359-F368 WeakPolarHBondContact CD2-O 3.33Å; F359-F368 PolarHBondContact N-O 2.99Å; F359-F368 PolarHBondContact O-N 2.73Å; K366-F368 HydrophobicContact CB-CE2 3.83Å; K366-F368 HydrophobicContact CB-CZ 4.2Å; K366-F368 VanDerWaalsContact O-CD2 3.26Å; K366-F368 WeakPolarHBondContact O-CD2 3.48Å; K366-F368 WeakPolarHBondContact O-CE2 3.33Å; F368-Q370 VanDerWaalsContact C-N 3.27Å; F368-Q370 PolarHBondContact O-N 2.9Å; F368-N373 HydrophobicContact CD1-CB 3.91Å; F368-Y374 HydrophobicContact CD2-CD2 4.43Å; F368-H377 HydrophobicContact CE1-CB 4.13Å; F368-H377 HydrophobicContact CE2-CB 4.03Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.48Å; F368-H377 AromaticContact CE2-CG 3.79Å; F368-H377 HydrophobicContact CZ-CB 3.58Å; F368-H377 AromaticContact CZ-CD2 3.33Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.38Å; F368-H377 AromaticContact CZ-CG 3.42Å; F368-H377 VanDerWaalsContact CZ-CG 3.42Å |
| 369 | H | 87.3 | Confident | 87.4 | Confident | 43 Ų | 43 | 65 Ų | 65 | 20% | 0.199 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.1 | -4.3 | 174.4 | -50.5 | -76.5 | 0 | 0 | 0 | 114.1 | R351 Y356 | R351-H369 PolarHBondContact NE-O 2.65Å; R351-H369 PolarHBondContact NH2-O 3.24Å; R351-H369 PolarHBondContact O-CE1 3.13Å; R351-H369 VanDerWaalsContact O-CE1 3.23Å; R351-H369 PolarHBondContact O-ND1 3.2Å; Y356-H369 PolarHBondContact O-ND1 3.05Å |
| 370 | Q | 88 | Confident | 87 | Confident | 79 Ų | 79 | 66.2 Ų | 66.2 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -145.8 | 134 | -175.9 | -60.9 | -168.6 | 21.9 | 0 | 0 | 113.2 | F359 F368 G372 N373 Y374 | F359-Q370 VanDerWaalsContact CD2-C 3.46Å; F368-Q370 VanDerWaalsContact C-N 3.27Å; F368-Q370 PolarHBondContact O-N 2.9Å; Q370-G372 VanDerWaalsContact C-N 3.28Å; Q370-G372 PolarHBondContact O-N 2.89Å; Q370-N373 HydrophobicContact CB-CB 4.47Å; Q370-N373 PolarHBondContact O-N 3.09Å; Q370-N373 VanDerWaalsContact O-N 3.15Å; Q370-Y374 PolarHBondContact O-N 3.21Å; Q370-Y374 VanDerWaalsContact O-N 3.07Å |
| 371 | K | 87.2 | Confident | 86.6 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -31 | -178.3 | -163.8 | 165.5 | -173.6 | 164.5 | 0 | 113.6 | F359 K375 | F359-K371 HydrophobicContact CD1-CB 4.19Å; F359-K371 HydrophobicContact CD1-CG 4.18Å; F359-K371 HydrophobicContact CD2-CB 4.33Å; F359-K371 HydrophobicContact CE1-CB 3.82Å; F359-K371 HydrophobicContact CE1-CD 3.92Å; F359-K371 HydrophobicContact CE1-CG 3.93Å; F359-K371 HydrophobicContact CE2-CB 3.96Å; F359-K371 VanDerWaalsContact CE2-N 3.31Å; F359-K371 HydrophobicContact CG-CB 4.45Å; F359-K371 HydrophobicContact CZ-CB 3.7Å; F359-K371 HydrophobicContact CZ-CD 4.38Å; F359-K371 HydrophobicContact CZ-CG 4.32Å; K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 2.87Å |
| 372 | G | 85.4 | Confident | 86 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q370 Y374 K375 N376 | Q370-G372 VanDerWaalsContact C-N 3.28Å; Q370-G372 PolarHBondContact O-N 2.89Å; G372-Y374 PolarHBondContact O-N 3.23Å; G372-K375 PolarHBondContact O-N 2.81Å; G372-N376 VanDerWaalsContact O-CG 3.32Å; G372-N376 PolarHBondContact O-N 3.04Å; G372-N376 PolarHBondContact O-OD1 3.02Å |
| 373 | N | 86.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.7 | -60.7 | 11 | 0 | 0 | 0 | 111.1 | F368 Q370 N376 H377 | F368-N373 HydrophobicContact CD1-CB 3.91Å; Q370-N373 HydrophobicContact CB-CB 4.47Å; Q370-N373 PolarHBondContact O-N 3.09Å; Q370-N373 VanDerWaalsContact O-N 3.15Å; N373-N376 PolarHBondContact O-N 3.17Å; N373-H377 WeakPolarHBondContact O-CB 3.29Å; N373-H377 PolarHBondContact O-N 3.47Å |
| 374 | Y | 89.4 | Confident | 84.8 | Confident | 38 Ų | 38 | 65 Ų | 65 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 171.7 | 165.5 | -91.1 | 0 | 0 | 0 | 112.3 | F359 V360 C361 E362 F368 Q370 G372 N376 H377 K378 | F359-Y374 HydrophobicContact CB-CD2 3.9Å; F359-Y374 HydrophobicContact CB-CG 3.77Å; V360-Y374 VanDerWaalsContact O-CE2 3.31Å; V360-Y374 WeakPolarHBondContact O-CE2 3.4Å; C361-Y374 HydrophobicContact CB-CE2 4.46Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å; F368-Y374 HydrophobicContact CD2-CD2 4.43Å; Q370-Y374 PolarHBondContact O-N 3.21Å; Q370-Y374 VanDerWaalsContact O-N 3.07Å; G372-Y374 PolarHBondContact O-N 3.23Å; Y374-N376 PolarHBondContact O-N 3.04Å; Y374-H377 PolarHBondContact O-N 3.07Å; Y374-K378 HydrophobicContact CE1-CD 4.48Å; Y374-K378 PolarHBondContact O-N 2.98Å; Y374-K378 PolarHBondContact OH-NZ 3.35Å |
| 375 | K | 86.4 | Confident | 84.3 | Confident | 132 Ų | 132 | 67.9 Ų | 67.9 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.8 | -48.4 | 176.4 | -82.2 | -165.1 | 170.3 | -156.3 | 0 | 111.8 | K371 G372 H377 K378 L379 | K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 2.87Å; G372-K375 PolarHBondContact O-N 2.81Å; K375-H377 PolarHBondContact O-N 3.15Å; K375-K378 PolarHBondContact O-N 2.99Å; K375-K378 VanDerWaalsContact O-N 3.1Å; K375-L379 PolarHBondContact O-N 2.86Å |
| 376 | N | 84.3 | Confident | 84 | Confident | 58 Ų | 58 | 70 Ų | 70 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -24 | -179.8 | -65.4 | 10.7 | 0 | 0 | 0 | 112.2 | G372 N373 Y374 Q398 | G372-N376 VanDerWaalsContact O-CG 3.32Å; G372-N376 PolarHBondContact O-N 3.04Å; G372-N376 PolarHBondContact O-OD1 3.02Å; N373-N376 PolarHBondContact O-N 3.17Å; Y374-N376 PolarHBondContact O-N 3.04Å; N376-Q398 HydrophobicContact CB-CG 4.32Å; N376-Q398 PolarHBondContact ND2-OE1 3.27Å |
| 377 | H | 87 | Confident | 83.7 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.1 | -38.5 | 169.7 | 176 | 48.1 | 0 | 0 | 0 | 113.2 | C364 F368 N373 Y374 K375 L379 T380 H381 | C364-H377 PolarHBondContact SG-NE2 2.28Å; F368-H377 HydrophobicContact CE1-CB 4.13Å; F368-H377 HydrophobicContact CE2-CB 4.03Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.48Å; F368-H377 AromaticContact CE2-CG 3.79Å; F368-H377 HydrophobicContact CZ-CB 3.58Å; F368-H377 AromaticContact CZ-CD2 3.33Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.38Å; F368-H377 AromaticContact CZ-CG 3.42Å; F368-H377 VanDerWaalsContact CZ-CG 3.42Å; N373-H377 WeakPolarHBondContact O-CB 3.29Å; N373-H377 PolarHBondContact O-N 3.47Å; Y374-H377 PolarHBondContact O-N 3.07Å; K375-H377 PolarHBondContact O-N 3.15Å; H377-L379 PolarHBondContact O-N 3.27Å; H377-T380 PolarHBondContact ND1-OG1 2.91Å; H377-T380 VanDerWaalsContact ND1-OG1 3.11Å; H377-T380 PolarHBondContact O-N 3.36Å; H377-T380 PolarHBondContact O-OG1 3.45Å; H377-H381 AromaticContact CE1-CD2 3.93Å; H377-H381 AromaticContact CE1-CE1 3.82Å; H377-H381 AromaticContact CE1-NE2 3.18Å; H377-H381 PolarHBondContact CE1-NE2 3.43Å; H377-H381 AromaticContact NE2-CD2 3.92Å; H377-H381 AromaticContact NE2-NE2 3.12Å; H377-H381 PolarHBondContact NE2-NE2 3.2Å; H377-H381 VanDerWaalsContact NE2-NE2 3.12Å |
| 378 | K | 85 | Confident | 83.5 | Confident | 65 Ų | 65 | 73 Ų | 73 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -31.3 | 176.6 | -159.4 | 160.9 | -168.8 | 162.6 | 0 | 111.6 | E362 F363 Y374 K375 T380 H381 S382 | E362-K378 VanDerWaalsContact CD-NZ 3.26Å; E362-K378 IonicContact OE1-NZ 2.61Å; E362-K378 PolarHBondContact OE1-NZ 3.26Å; E362-K378 VanDerWaalsContact OE1-NZ 3.07Å; E362-K378 IonicContact OE2-NZ 2.63Å; E362-K378 PolarHBondContact OE2-NZ 2.91Å; F363-K378 HydrophobicContact CE2-CG 4.35Å; Y374-K378 HydrophobicContact CE1-CD 4.48Å; Y374-K378 PolarHBondContact O-N 2.98Å; Y374-K378 PolarHBondContact OH-NZ 3.35Å; K375-K378 PolarHBondContact O-N 2.99Å; K375-K378 VanDerWaalsContact O-N 3.1Å; K378-T380 VanDerWaalsContact C-N 3.28Å; K378-T380 PolarHBondContact O-N 2.61Å; K378-H381 PolarHBondContact O-N 2.86Å; K378-S382 PolarHBondContact O-N 3.11Å; K378-S382 VanDerWaalsContact O-N 3.17Å |
| 379 | L | 84.2 | Confident | 83.5 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -24.7 | 170.2 | -62 | 177.6 | 0 | 0 | 0 | 114.7 | K375 H377 H381 G383 E384 H397 | K375-L379 PolarHBondContact O-N 2.86Å; H377-L379 PolarHBondContact O-N 3.27Å; L379-H381 VanDerWaalsContact C-N 3.31Å; L379-G383 PolarHBondContact O-N 3.2Å; L379-G383 VanDerWaalsContact O-N 3.14Å; L379-E384 HydrophobicContact CD2-CB 3.85Å; L379-E384 WeakPolarHBondContact CD2-OE2 3.36Å; L379-H397 HydrophobicContact CB-CB 4.46Å; L379-H397 PolarHBondContact O-CE1 3.43Å; L379-H397 VanDerWaalsContact O-CE1 3.27Å; L379-H397 PolarHBondContact O-ND1 2.96Å |
| 380 | T | 82.3 | Confident | 83.4 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.5 | -21.9 | 176.7 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | H377 K378 | H377-T380 PolarHBondContact ND1-OG1 2.91Å; H377-T380 VanDerWaalsContact ND1-OG1 3.11Å; H377-T380 PolarHBondContact O-N 3.36Å; H377-T380 PolarHBondContact O-OG1 3.45Å; K378-T380 VanDerWaalsContact C-N 3.28Å; K378-T380 PolarHBondContact O-N 2.61Å |
| 381 | H | 81.4 | Confident | 83.2 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -86.3 | -42.5 | 173.3 | -61 | -61.4 | 0 | 0 | 0 | 111.6 | C361 F363 C364 H377 K378 L379 G383 | C361-H381 VanDerWaalsContact SG-CD2 3.51Å; C361-H381 PolarHBondContact SG-NE2 3.11Å; C361-H381 VanDerWaalsContact SG-NE2 3.39Å; F363-H381 HydrophobicContact CD2-CB 4.02Å; F363-H381 AromaticContact CD2-CD2 4Å; C364-H381 PolarHBondContact SG-NE2 3.3Å; C364-H381 VanDerWaalsContact SG-NE2 3.36Å; H377-H381 AromaticContact CE1-CD2 3.93Å; H377-H381 AromaticContact CE1-CE1 3.82Å; H377-H381 AromaticContact CE1-NE2 3.18Å; H377-H381 PolarHBondContact CE1-NE2 3.43Å; H377-H381 AromaticContact NE2-CD2 3.92Å; H377-H381 AromaticContact NE2-NE2 3.12Å; H377-H381 PolarHBondContact NE2-NE2 3.2Å; H377-H381 VanDerWaalsContact NE2-NE2 3.12Å; K378-H381 PolarHBondContact O-N 2.86Å; L379-H381 VanDerWaalsContact C-N 3.31Å; H381-G383 PolarHBondContact O-N 3.24Å |
| 382 | S | 77.9 | Confident | 83.2 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 51% | 0.51 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.2 | -19.4 | 175.6 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | K378 E384 | K378-S382 PolarHBondContact O-N 3.11Å; K378-S382 VanDerWaalsContact O-N 3.17Å; S382-E384 WeakPolarHBondContact CB-OE1 3.34Å; S382-E384 PolarHBondContact O-N 3.15Å; S382-E384 VanDerWaalsContact O-N 3.1Å; S382-E384 WeakPolarHBondContact OG-CG 3.43Å; S382-E384 PolarHBondContact OG-OE1 3.39Å |
| 383 | G | 73.3 | Confident | 83 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | 74.1 | -8.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L379 H381 K385 | L379-G383 PolarHBondContact O-N 3.2Å; L379-G383 VanDerWaalsContact O-N 3.14Å; H381-G383 PolarHBondContact O-N 3.24Å; G383-K385 WeakPolarHBondContact O-CG 3.4Å; G383-K385 PolarHBondContact O-N 2.94Å | ||
| 384 | E | 74.5 | Confident | 82.9 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | trans | -50.5 | 102.7 | 176.9 | -81.6 | 174.7 | -107.9 | 0 | 0 | 113.4 | L379 S382 Q386 H397 | L379-E384 HydrophobicContact CD2-CB 3.85Å; L379-E384 WeakPolarHBondContact CD2-OE2 3.36Å; S382-E384 WeakPolarHBondContact CB-OE1 3.34Å; S382-E384 PolarHBondContact O-N 3.15Å; S382-E384 VanDerWaalsContact O-N 3.1Å; S382-E384 WeakPolarHBondContact OG-CG 3.43Å; S382-E384 PolarHBondContact OG-OE1 3.39Å; E384-Q386 PolarHBondContact OE2-NE2 2.86Å; E384-H397 PolarHBondContact O-ND1 2.79Å | ||
| 385 | K | 78.3 | Confident | 82.6 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | trans | -104.6 | 79.3 | 177.7 | -75.4 | 159.8 | 174.4 | 179.5 | 0 | 110.2 | G383 Y387 A395 F396 H397 | G383-K385 WeakPolarHBondContact O-CG 3.4Å; G383-K385 PolarHBondContact O-N 2.94Å; K385-Y387 PolarHBondContact O-N 3.36Å; K385-A395 HydrophobicContact CB-CB 3.5Å; K385-A395 VanDerWaalsContact CB-CB 3.5Å; K385-A395 HydrophobicContact CD-CB 4.2Å; K385-A395 WeakPolarHBondContact CD-O 3.48Å; K385-A395 HydrophobicContact CG-CB 4.33Å; K385-F396 CarbonylContact C-O 3.51Å; K385-F396 WeakPolarHBondContact CA-O 3.43Å; K385-H397 WeakPolarHBondContact CE-NE2 3.22Å; K385-H397 VanDerWaalsContact CG-CE1 3.46Å; K385-H397 WeakPolarHBondContact CG-CE1 3.38Å | ||
| 386 | Q | 79.1 | Confident | 82.4 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | trans | -63.9 | -18.1 | -173.2 | -62.6 | 176.8 | -5.9 | 0 | 0 | 114.2 | E384 F396 | E384-Q386 PolarHBondContact OE2-NE2 2.86Å; Q386-F396 PolarHBondContact N-O 3.03Å | ||
| 387 | Y | 82.7 | Confident | 82.2 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 29% | 0.29 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 100.2 | -174.1 | -55.2 | -75.8 | 0 | 0 | 0 | 111.1 | K385 A395 F396 V399 | K385-Y387 PolarHBondContact O-N 3.36Å; Y387-A395 CarbonylContact O-C 3.59Å; Y387-A395 WeakPolarHBondContact O-CA 3.11Å; Y387-F396 PolarHBondContact N-O 3.44Å; Y387-F396 PolarHBondContact O-N 2.99Å; Y387-V399 HydrophobicContact CD1-CG2 3.75Å; Y387-V399 HydrophobicContact CE1-CG2 3.34Å; Y387-V399 HydrophobicContact CE2-CG2 4.17Å; Y387-V399 HydrophobicContact CG-CG2 4.32Å |
| 388 | K | 85.2 | Confident | 81.9 | Confident | 143 Ų | 143 | 73.9 Ų | 73.9 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 143.2 | 179.4 | -60.7 | -175.3 | -178.8 | 179.9 | 0 | 111.9 | A395 | K388-A395 HydrophobicContact CG-CB 3.96Å |
| 389 | C | 88.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | trans | -73.8 | 128.9 | 166.6 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | I391 C392 N393 K394 L402 M406 H409 | C389-I391 VanDerWaalsContact C-N 3.34Å; C389-I391 PolarHBondContact SG-N 3.04Å; C389-C392 PolarHBondContact SG-N 2.91Å; C389-C392 VanDerWaalsContact SG-SG 3.67Å; C389-N393 WeakPolarHBondContact O-CA 3.34Å; C389-N393 PolarHBondContact O-N 3.24Å; C389-K394 HydrophobicContact CB-CB 4.5Å; C389-K394 VanDerWaalsContact CB-O 3.25Å; C389-K394 WeakPolarHBondContact CB-O 3.31Å; C389-K394 PolarHBondContact N-O 3.14Å; C389-L402 HydrophobicContact CB-CD1 4.01Å; C389-M406 HydrophobicContact CB-CE 3.85Å; C389-M406 WeakPolarHBondContact SG-CE 3.4Å; C389-H409 PolarHBondContact SG-NE2 3.47Å; C389-H409 VanDerWaalsContact SG-NE2 3.36Å | ||
| 390 | T | 84.3 | Confident | 81.8 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 72% | 0.718 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.1 | 175.2 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 391 | I | 85.3 | Confident | 81.9 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -39.7 | -172.3 | -59.6 | 171.8 | 0 | 0 | 0 | 112.2 | C389 H409 | C389-I391 VanDerWaalsContact C-N 3.34Å; C389-I391 PolarHBondContact SG-N 3.04Å; I391-H409 HydrophobicContact CD1-CB 3.54Å; I391-H409 HydrophobicContact CG2-CB 4.4Å |
| 392 | C | 85.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 31% | 0.311 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 17.4 | -177 | 75.1 | 0 | 0 | 0 | 0 | 114.7 | C389 K394 H405 H409 | C389-C392 PolarHBondContact SG-N 2.91Å; C389-C392 VanDerWaalsContact SG-SG 3.67Å; C392-K394 PolarHBondContact O-N 2.88Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; C392-H409 PolarHBondContact SG-CE1 3.07Å; C392-H409 PolarHBondContact SG-NE2 3.17Å; C392-H409 VanDerWaalsContact SG-NE2 3.4Å |
| 393 | N | 82.3 | Confident | 82.5 | Confident | 122 Ų | 122 | 73.1 Ų | 73.1 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | trans | 57.6 | -0.2 | 175.1 | -70.4 | -60.9 | 0 | 0 | 0 | 117.4 | C389 A395 | C389-N393 WeakPolarHBondContact O-CA 3.34Å; C389-N393 PolarHBondContact O-N 3.24Å; N393-A395 PolarHBondContact O-N 2.83Å | ||
| 394 | K | 83.1 | Confident | 82.9 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | trans | -57.4 | 130.3 | 173.5 | -69.8 | -179.3 | -176 | 177.5 | 0 | 110.4 | C389 C392 F396 | C389-K394 HydrophobicContact CB-CB 4.5Å; C389-K394 VanDerWaalsContact CB-O 3.25Å; C389-K394 WeakPolarHBondContact CB-O 3.31Å; C389-K394 PolarHBondContact N-O 3.14Å; C392-K394 PolarHBondContact O-N 2.88Å; K394-F396 HydrophobicContact CB-CE2 3.98Å; K394-F396 HydrophobicContact CB-CZ 4.18Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.42Å | ||
| 395 | A | 84.1 | Confident | 83.4 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.7 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | K385 Y387 K388 N393 | K385-A395 HydrophobicContact CB-CB 3.5Å; K385-A395 VanDerWaalsContact CB-CB 3.5Å; K385-A395 HydrophobicContact CD-CB 4.2Å; K385-A395 WeakPolarHBondContact CD-O 3.48Å; K385-A395 HydrophobicContact CG-CB 4.33Å; Y387-A395 CarbonylContact O-C 3.59Å; Y387-A395 WeakPolarHBondContact O-CA 3.11Å; K388-A395 HydrophobicContact CG-CB 3.96Å; N393-A395 PolarHBondContact O-N 2.83Å |
| 396 | F | 82.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.4 | -170.3 | -57.6 | -93 | 0 | 0 | 0 | 111.7 | K385 Q386 Y387 K394 N401 L402 H405 | K385-F396 CarbonylContact C-O 3.51Å; K385-F396 WeakPolarHBondContact CA-O 3.43Å; Q386-F396 PolarHBondContact N-O 3.03Å; Y387-F396 PolarHBondContact N-O 3.44Å; Y387-F396 PolarHBondContact O-N 2.99Å; K394-F396 HydrophobicContact CB-CE2 3.98Å; K394-F396 HydrophobicContact CB-CZ 4.18Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.42Å; F396-N401 HydrophobicContact CB-CB 4.22Å; F396-N401 HydrophobicContact CD1-CB 3.82Å; F396-N401 HydrophobicContact CG-CB 4.26Å; F396-L402 HydrophobicContact CD2-CB 4.29Å; F396-L402 HydrophobicContact CD2-CD1 3.92Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; F396-H405 HydrophobicContact CE1-CB 4.36Å; F396-H405 HydrophobicContact CE2-CB 4.12Å; F396-H405 AromaticContact CE2-CD2 3.35Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.36Å; F396-H405 AromaticContact CE2-CG 3.95Å; F396-H405 HydrophobicContact CZ-CB 3.73Å; F396-H405 AromaticContact CZ-CD2 3.38Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.42Å; F396-H405 AromaticContact CZ-CG 3.58Å |
| 397 | H | 79.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -82.9 | -13.2 | 178.9 | -53.9 | -81.1 | 0 | 0 | 0 | 114 | L379 E384 K385 | L379-H397 HydrophobicContact CB-CB 4.46Å; L379-H397 PolarHBondContact O-CE1 3.43Å; L379-H397 VanDerWaalsContact O-CE1 3.27Å; L379-H397 PolarHBondContact O-ND1 2.96Å; E384-H397 PolarHBondContact O-ND1 2.79Å; K385-H397 WeakPolarHBondContact CE-NE2 3.22Å; K385-H397 VanDerWaalsContact CG-CE1 3.46Å; K385-H397 WeakPolarHBondContact CG-CE1 3.38Å |
| 398 | Q | 81.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -146.4 | 140.1 | -174.1 | -59.1 | -174.6 | 78.2 | 0 | 0 | 112 | N376 Y400 N401 L402 | N376-Q398 HydrophobicContact CB-CG 4.32Å; N376-Q398 PolarHBondContact ND2-OE1 3.27Å; Q398-Y400 HydrophobicContact CB-CD1 4.05Å; Q398-Y400 HydrophobicContact CB-CE1 3.8Å; Q398-Y400 HydrophobicContact CG-CE1 4.33Å; Q398-Y400 PolarHBondContact NE2-OH 3.1Å; Q398-Y400 PolarHBondContact O-N 3.02Å; Q398-N401 WeakPolarHBondContact O-CB 3.47Å; Q398-N401 PolarHBondContact O-N 3.19Å; Q398-N401 VanDerWaalsContact O-N 3.13Å; Q398-L402 PolarHBondContact O-N 2.74Å |
| 399 | V | 84.1 | Confident | 83.5 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.6 | -46.3 | -175.8 | -178.3 | 0 | 0 | 0 | 0 | 113 | Y387 N401 L402 T403 | Y387-V399 HydrophobicContact CD1-CG2 3.75Å; Y387-V399 HydrophobicContact CE1-CG2 3.34Å; Y387-V399 HydrophobicContact CE2-CG2 4.17Å; Y387-V399 HydrophobicContact CG-CG2 4.32Å; V399-N401 PolarHBondContact O-N 2.7Å; V399-L402 CarbonylContact O-C 3.43Å; V399-L402 WeakPolarHBondContact O-CA 3.17Å; V399-L402 WeakPolarHBondContact O-CB 3.23Å; V399-L402 PolarHBondContact O-N 2.75Å; V399-T403 PolarHBondContact O-N 3.36Å; V399-T403 PolarHBondContact O-OG1 3.42Å |
| 400 | Y | 82.9 | Confident | 83 | Confident | 118 Ų | 118 | 63 Ų | 63 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -30 | -175.6 | 73.1 | -98.5 | 0 | 0 | 0 | 112.9 | Q398 T403 F404 | Q398-Y400 HydrophobicContact CB-CD1 4.05Å; Q398-Y400 HydrophobicContact CB-CE1 3.8Å; Q398-Y400 HydrophobicContact CG-CE1 4.33Å; Q398-Y400 PolarHBondContact NE2-OH 3.1Å; Q398-Y400 PolarHBondContact O-N 3.02Å; Y400-T403 PolarHBondContact O-N 3.08Å; Y400-F404 AromaticContact CD2-CD2 3.97Å; Y400-F404 HydrophobicContact CD2-CD2 3.97Å; Y400-F404 AromaticContact CD2-CE2 3.9Å; Y400-F404 HydrophobicContact CD2-CE2 3.9Å; Y400-F404 WeakPolarHBondContact O-CD2 3.11Å; Y400-F404 WeakPolarHBondContact O-CG 3.26Å; Y400-F404 PolarHBondContact O-N 3.04Å |
| 401 | N | 84.1 | Confident | 82.5 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 174 | -70 | -49.6 | 0 | 0 | 0 | 110.8 | F396 Q398 V399 H405 | F396-N401 HydrophobicContact CB-CB 4.22Å; F396-N401 HydrophobicContact CD1-CB 3.82Å; F396-N401 HydrophobicContact CG-CB 4.26Å; Q398-N401 WeakPolarHBondContact O-CB 3.47Å; Q398-N401 PolarHBondContact O-N 3.19Å; Q398-N401 VanDerWaalsContact O-N 3.13Å; V399-N401 PolarHBondContact O-N 2.7Å; N401-H405 WeakPolarHBondContact O-CB 3.45Å; N401-H405 PolarHBondContact O-N 2.96Å |
| 402 | L | 86.6 | Confident | 82 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 171.2 | -179.4 | 66.7 | 0 | 0 | 0 | 110.7 | I32 C389 F396 Q398 V399 F404 H405 M406 | I32-L402 HydrophobicContact CD1-CD2 4.09Å; C389-L402 HydrophobicContact CB-CD1 4.01Å; F396-L402 HydrophobicContact CD2-CB 4.29Å; F396-L402 HydrophobicContact CD2-CD1 3.92Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; Q398-L402 PolarHBondContact O-N 2.74Å; V399-L402 CarbonylContact O-C 3.43Å; V399-L402 WeakPolarHBondContact O-CA 3.17Å; V399-L402 WeakPolarHBondContact O-CB 3.23Å; V399-L402 PolarHBondContact O-N 2.75Å; L402-F404 PolarHBondContact O-N 2.89Å; L402-H405 CarbonylContact O-C 3.24Å; L402-H405 WeakPolarHBondContact O-CA 3.31Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.42Å; L402-M406 HydrophobicContact CD1-CE 3.43Å; L402-M406 VanDerWaalsContact CD1-CE 3.43Å; L402-M406 HydrophobicContact CD1-SD 4.27Å; L402-M406 HydrophobicContact CG-CE 4.2Å; L402-M406 WeakPolarHBondContact O-CE 3.27Å; L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 2.81Å |
| 403 | T | 85.4 | Confident | 81.7 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 177.5 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | V399 Y400 H405 M406 H407 | V399-T403 PolarHBondContact O-N 3.36Å; V399-T403 PolarHBondContact O-OG1 3.42Å; Y400-T403 PolarHBondContact O-N 3.08Å; T403-H405 PolarHBondContact O-N 2.8Å; T403-M406 PolarHBondContact O-N 3.4Å; T403-H407 PolarHBondContact O-N 3.48Å |
| 404 | F | 81.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -23.1 | 175.8 | -68.9 | -50.9 | 0 | 0 | 0 | 113.3 | Y400 L402 H407 F415 C425 R426 | Y400-F404 AromaticContact CD2-CD2 3.97Å; Y400-F404 HydrophobicContact CD2-CD2 3.97Å; Y400-F404 AromaticContact CD2-CE2 3.9Å; Y400-F404 HydrophobicContact CD2-CE2 3.9Å; Y400-F404 WeakPolarHBondContact O-CD2 3.11Å; Y400-F404 WeakPolarHBondContact O-CG 3.26Å; Y400-F404 PolarHBondContact O-N 3.04Å; L402-F404 PolarHBondContact O-N 2.89Å; F404-H407 AromaticContact CD1-ND1 3.9Å; F404-F415 HydrophobicContact CE1-CE2 4.34Å; F404-C425 WeakPolarHBondContact CD1-O 3.5Å; F404-R426 HydrophobicContact CB-CG 4.11Å; F404-R426 HydrophobicContact CD1-CG 3.95Å; F404-R426 HydrophobicContact CD2-CG 4.43Å; F404-R426 HydrophobicContact CE1-CG 4.5Å; F404-R426 HydrophobicContact CG-CG 3.93Å |
| 405 | H | 84.5 | Confident | 81.7 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78.8 | -31.9 | 169.9 | 180 | 39.3 | 0 | 0 | 0 | 112.8 | C392 F396 N401 L402 T403 H407 T408 H409 | C392-H405 PolarHBondContact SG-NE2 3.02Å; F396-H405 HydrophobicContact CE1-CB 4.36Å; F396-H405 HydrophobicContact CE2-CB 4.12Å; F396-H405 AromaticContact CE2-CD2 3.35Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.36Å; F396-H405 AromaticContact CE2-CG 3.95Å; F396-H405 HydrophobicContact CZ-CB 3.73Å; F396-H405 AromaticContact CZ-CD2 3.38Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.42Å; F396-H405 AromaticContact CZ-CG 3.58Å; N401-H405 WeakPolarHBondContact O-CB 3.45Å; N401-H405 PolarHBondContact O-N 2.96Å; L402-H405 CarbonylContact O-C 3.24Å; L402-H405 WeakPolarHBondContact O-CA 3.31Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.42Å; T403-H405 PolarHBondContact O-N 2.8Å; H405-H407 PolarHBondContact O-N 2.8Å; H405-T408 PolarHBondContact CE1-OG1 2.72Å; H405-T408 PolarHBondContact ND1-OG1 3.42Å; H405-T408 PolarHBondContact O-N 2.82Å; H405-T408 PolarHBondContact O-OG1 3.11Å; H405-H409 AromaticContact CD2-NE2 3.92Å; H405-H409 AromaticContact CE1-CD2 3.88Å; H405-H409 AromaticContact CE1-CE1 3.74Å; H405-H409 AromaticContact CE1-NE2 3.08Å; H405-H409 PolarHBondContact CE1-NE2 3.11Å; H405-H409 AromaticContact ND1-NE2 3.89Å; H405-H409 AromaticContact NE2-CD2 3.99Å; H405-H409 AromaticContact NE2-CE1 3.99Å; H405-H409 AromaticContact NE2-NE2 3.09Å; H405-H409 PolarHBondContact NE2-NE2 2.61Å |
| 406 | M | 83.3 | Confident | 81.8 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -31.8 | 174.1 | -61.7 | -49.4 | 84.5 | 0 | 0 | 111.3 | M36 C389 L402 T403 T408 H409 N410 | M36-M406 HydrophobicContact CE-CB 4.46Å; C389-M406 HydrophobicContact CB-CE 3.85Å; C389-M406 WeakPolarHBondContact SG-CE 3.4Å; L402-M406 HydrophobicContact CD1-CE 3.43Å; L402-M406 VanDerWaalsContact CD1-CE 3.43Å; L402-M406 HydrophobicContact CD1-SD 4.27Å; L402-M406 HydrophobicContact CG-CE 4.2Å; L402-M406 WeakPolarHBondContact O-CE 3.27Å; L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 2.81Å; T403-M406 PolarHBondContact O-N 3.4Å; M406-T408 PolarHBondContact O-N 3.04Å; M406-H409 PolarHBondContact O-N 3.35Å; M406-N410 PolarHBondContact O-N 3.02Å; M406-N410 VanDerWaalsContact O-N 3.13Å; M406-N410 PolarHBondContact O-ND2 3.47Å |
| 407 | H | 83.6 | Confident | 82.1 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22 | 170.9 | -61.7 | 171.6 | 0 | 0 | 0 | 113.8 | T403 F404 H405 K412 C425 | T403-H407 PolarHBondContact O-N 3.48Å; F404-H407 AromaticContact CD1-ND1 3.9Å; H405-H407 PolarHBondContact O-N 2.8Å; H407-K412 WeakPolarHBondContact CB-O 3.35Å; H407-C425 HydrophobicContact CB-CB 3.86Å; H407-C425 PolarHBondContact ND1-O 3.47Å |
| 408 | T | 80.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.6 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | H405 M406 | H405-T408 PolarHBondContact CE1-OG1 2.72Å; H405-T408 PolarHBondContact ND1-OG1 3.42Å; H405-T408 PolarHBondContact O-N 2.82Å; H405-T408 PolarHBondContact O-OG1 3.11Å; M406-T408 PolarHBondContact O-N 3.04Å |
| 409 | H | 80.3 | Confident | 82.5 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -19.5 | 174.4 | -61.1 | -67.6 | 0 | 0 | 0 | 113.1 | C389 I391 C392 H405 M406 | C389-H409 PolarHBondContact SG-NE2 3.47Å; C389-H409 VanDerWaalsContact SG-NE2 3.36Å; I391-H409 HydrophobicContact CD1-CB 3.54Å; I391-H409 HydrophobicContact CG2-CB 4.4Å; C392-H409 PolarHBondContact SG-CE1 3.07Å; C392-H409 PolarHBondContact SG-NE2 3.17Å; C392-H409 VanDerWaalsContact SG-NE2 3.4Å; H405-H409 AromaticContact CD2-NE2 3.92Å; H405-H409 AromaticContact CE1-CD2 3.88Å; H405-H409 AromaticContact CE1-CE1 3.74Å; H405-H409 AromaticContact CE1-NE2 3.08Å; H405-H409 PolarHBondContact CE1-NE2 3.11Å; H405-H409 AromaticContact ND1-NE2 3.89Å; H405-H409 AromaticContact NE2-CD2 3.99Å; H405-H409 AromaticContact NE2-CE1 3.99Å; H405-H409 AromaticContact NE2-NE2 3.09Å; H405-H409 PolarHBondContact NE2-NE2 2.61Å; M406-H409 PolarHBondContact O-N 3.35Å |
| 410 | N | 78.3 | Confident | 82.7 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -101.9 | -1.1 | -178.5 | -74 | -112.3 | 0 | 0 | 0 | 112.1 | M406 K412 | M406-N410 PolarHBondContact O-N 3.02Å; M406-N410 VanDerWaalsContact O-N 3.13Å; M406-N410 PolarHBondContact O-ND2 3.47Å; N410-K412 HydrophobicContact CB-CB 4.34Å; N410-K412 HydrophobicContact CB-CD 4.08Å; N410-K412 HydrophobicContact CB-CG 4.05Å; N410-K412 PolarHBondContact O-N 3.18Å |
| 411 | D | 73.1 | Confident | 82.7 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | trans | 48.1 | 2.6 | -166.3 | -90.3 | -77 | 0 | 0 | 0 | 117.9 | K413 | D411-K413 WeakPolarHBondContact O-CD 3.48Å; D411-K413 WeakPolarHBondContact O-CG 3.43Å; D411-K413 PolarHBondContact O-N 3.27Å; D411-K413 VanDerWaalsContact OD1-CE 3.28Å; D411-K413 WeakPolarHBondContact OD1-CE 3.3Å; D411-K413 IonicContact OD1-NZ 2.68Å; D411-K413 PolarHBondContact OD1-NZ 2.84Å | ||
| 412 | K | 74.8 | Confident | 82.7 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | trans | -58.9 | 96.1 | 173.4 | -69.4 | 176.9 | -174 | 179.4 | 0 | 110 | H407 N410 P414 | H407-K412 WeakPolarHBondContact CB-O 3.35Å; N410-K412 HydrophobicContact CB-CB 4.34Å; N410-K412 HydrophobicContact CB-CD 4.08Å; N410-K412 HydrophobicContact CB-CG 4.05Å; N410-K412 PolarHBondContact O-N 3.18Å; K412-P414 VanDerWaalsContact O-CD 3.22Å; K412-P414 WeakPolarHBondContact O-CD 3.44Å | ||
| 413 | K | 80.6 | Confident | 82.6 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | trans | -98.9 | 88.2 | 177.2 | -74.4 | 150 | -169.3 | 157.2 | 0 | 109.1 | D411 F415 F424 | D411-K413 WeakPolarHBondContact O-CD 3.48Å; D411-K413 WeakPolarHBondContact O-CG 3.43Å; D411-K413 PolarHBondContact O-N 3.27Å; D411-K413 VanDerWaalsContact OD1-CE 3.28Å; D411-K413 WeakPolarHBondContact OD1-CE 3.3Å; D411-K413 IonicContact OD1-NZ 2.68Å; D411-K413 PolarHBondContact OD1-NZ 2.84Å; K413-F415 PolarHBondContact O-N 2.91Å; K413-F415 VanDerWaalsContact O-N 3.12Å; K413-F424 CarbonylContact C-O 3.2Å | ||
| 414 | P | 81.1 | Confident | 82.5 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | trans | -78.7 | -0.1 | -165.6 | -10.1 | 29.9 | 0 | 0 | 0 | 113.5 | K412 F424 | K412-P414 VanDerWaalsContact O-CD 3.22Å; K412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-F424 WeakPolarHBondContact CD-O 3.35Å | ||
| 415 | F | 83.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 25% | 0.254 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 86.3 | -176.5 | -54.7 | -72.1 | 0 | 0 | 0 | 109 | F404 K413 F424 R426 N427 L430 | F404-F415 HydrophobicContact CE1-CE2 4.34Å; K413-F415 PolarHBondContact O-N 2.91Å; K413-F415 VanDerWaalsContact O-N 3.12Å; F415-F424 HydrophobicContact CB-CB 4.43Å; F415-F424 PolarHBondContact N-O 3.18Å; F415-F424 WeakPolarHBondContact O-CD2 3.39Å; F415-F424 PolarHBondContact O-N 2.77Å; F415-R426 VanDerWaalsContact CD2-C 3.45Å; F415-N427 HydrophobicContact CD1-CB 3.91Å; F415-N427 HydrophobicContact CD2-CB 4.4Å; F415-N427 VanDerWaalsContact CD2-N 3.32Å; F415-N427 HydrophobicContact CE1-CB 3.82Å; F415-N427 HydrophobicContact CE2-CB 4.32Å; F415-N427 HydrophobicContact CG-CB 4.2Å; F415-N427 HydrophobicContact CZ-CB 4.03Å; F415-L430 HydrophobicContact CB-CB 4.2Å; F415-L430 HydrophobicContact CB-CD2 3.83Å |
| 416 | T | 85.8 | Confident | 82.4 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 148.8 | 172.2 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | L430 | T416-L430 WeakPolarHBondContact O-CD2 3.38Å |
| 417 | C | 89.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | trans | -85.6 | 119.8 | 169.4 | -175.3 | 0 | 0 | 0 | 0 | 110 | T419 C420 G421 K422 F424 L430 H438 | C417-T419 PolarHBondContact O-N 3.35Å; C417-C420 PolarHBondContact O-N 2.82Å; C417-G421 WeakPolarHBondContact O-CA 3.25Å; C417-G421 PolarHBondContact O-N 3.07Å; C417-K422 PolarHBondContact N-O 3.1Å; C417-F424 HydrophobicContact CB-CE2 4.38Å; C417-L430 HydrophobicContact CB-CD1 3.55Å; C417-H438 PolarHBondContact SG-CD2 3.27Å; C417-H438 PolarHBondContact SG-NE2 3.04Å; C417-H438 VanDerWaalsContact SG-NE2 3.44Å | ||
| 418 | A | 84.5 | Confident | 82.5 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 91% | 0.909 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 419 | T | 84.5 | Confident | 82.8 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.6 | -175.2 | -30.9 | 0 | 0 | 0 | 0 | 114.2 | C417 H438 | C417-T419 PolarHBondContact O-N 3.35Å; T419-H438 HydrophobicContact CG2-CB 4.49Å; T419-H438 WeakPolarHBondContact CG2-ND1 3.33Å |
| 420 | C | 88.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.8 | 11.1 | -175.1 | 73.8 | 0 | 0 | 0 | 0 | 115.8 | C417 K422 H433 H438 | C417-C420 PolarHBondContact O-N 2.82Å; C420-K422 PolarHBondContact O-N 3Å; C420-H433 PolarHBondContact SG-NE2 2.79Å; C420-H438 PolarHBondContact SG-NE2 2.88Å; C420-H438 VanDerWaalsContact SG-NE2 3.44Å |
| 421 | G | 82.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | trans | 69.4 | -19.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C417 G423 | C417-G421 WeakPolarHBondContact O-CA 3.25Å; C417-G421 PolarHBondContact O-N 3.07Å; G421-G423 PolarHBondContact O-N 2.68Å | ||
| 422 | K | 84.9 | Confident | 84.4 | Confident | 131 Ų | 131 | 76.7 Ų | 76.7 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | trans | -57.4 | 123.2 | -171 | -67.6 | -179.6 | -178.3 | 179.3 | 0 | 112 | C417 C420 F424 | C417-K422 PolarHBondContact N-O 3.1Å; C420-K422 PolarHBondContact O-N 3Å; K422-F424 HydrophobicContact CB-CE2 4.02Å; K422-F424 HydrophobicContact CB-CZ 4.18Å; K422-F424 WeakPolarHBondContact O-CD2 3.28Å; K422-F424 WeakPolarHBondContact O-CE2 3.45Å | ||
| 423 | G | 84.8 | Confident | 85 | Confident | 29 Ų | 29 | 72 Ų | 72 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G421 | G421-G423 PolarHBondContact O-N 2.68Å |
| 424 | F | 82.9 | Confident | 85.4 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 19% | 0.189 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.1 | 179.3 | -59.8 | -87.9 | 0 | 0 | 0 | 112.1 | K413 P414 F415 C417 K422 R426 D429 L430 H433 | K413-F424 CarbonylContact C-O 3.2Å; P414-F424 WeakPolarHBondContact CD-O 3.35Å; F415-F424 HydrophobicContact CB-CB 4.43Å; F415-F424 PolarHBondContact N-O 3.18Å; F415-F424 WeakPolarHBondContact O-CD2 3.39Å; F415-F424 PolarHBondContact O-N 2.77Å; C417-F424 HydrophobicContact CB-CE2 4.38Å; K422-F424 HydrophobicContact CB-CE2 4.02Å; K422-F424 HydrophobicContact CB-CZ 4.18Å; K422-F424 WeakPolarHBondContact O-CD2 3.28Å; K422-F424 WeakPolarHBondContact O-CE2 3.45Å; F424-R426 VanDerWaalsContact C-N 3.32Å; F424-R426 PolarHBondContact O-N 2.96Å; F424-D429 HydrophobicContact CB-CB 4.37Å; F424-D429 HydrophobicContact CD1-CB 3.86Å; F424-D429 HydrophobicContact CG-CB 4.38Å; F424-L430 HydrophobicContact CB-CB 4.24Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.82Å; F424-L430 HydrophobicContact CD2-CG 4.42Å; F424-L430 HydrophobicContact CE2-CD1 3.98Å; F424-L430 HydrophobicContact CG-CB 4.17Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 4Å; F424-H433 AromaticContact CE2-CD2 3.78Å; F424-H433 AromaticContact CE2-CG 3.79Å; F424-H433 HydrophobicContact CZ-CB 3.51Å; F424-H433 AromaticContact CZ-CD2 3.78Å; F424-H433 AromaticContact CZ-CG 3.33Å; F424-H433 AromaticContact CZ-ND1 3.63Å |
| 425 | C | 81.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 75 Ų | 75 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -78 | -14.7 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | F404 H407 | F404-C425 WeakPolarHBondContact CD1-O 3.5Å; H407-C425 HydrophobicContact CB-CB 3.86Å; H407-C425 PolarHBondContact ND1-O 3.47Å |
| 426 | R | 81.4 | Confident | 85.9 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -138.2 | 138.5 | -179.7 | -51.6 | 179.7 | -62.8 | -164.9 | 2.4 | 111.5 | F404 F415 F424 F428 D429 L430 | F404-R426 HydrophobicContact CB-CG 4.11Å; F404-R426 HydrophobicContact CD1-CG 3.95Å; F404-R426 HydrophobicContact CD2-CG 4.43Å; F404-R426 HydrophobicContact CE1-CG 4.5Å; F404-R426 HydrophobicContact CG-CG 3.93Å; F415-R426 VanDerWaalsContact CD2-C 3.45Å; F424-R426 VanDerWaalsContact C-N 3.32Å; F424-R426 PolarHBondContact O-N 2.96Å; R426-F428 PolarHBondContact O-N 3.05Å; R426-D429 WeakPolarHBondContact CB-OD2 3.44Å; R426-D429 IonicContact CZ-OD1 3.76Å; R426-D429 IonicContact CZ-OD2 2.7Å; R426-D429 VanDerWaalsContact CZ-OD2 3.23Å; R426-D429 IonicContact NE-OD1 2.81Å; R426-D429 IonicContact NE-OD2 3.07Å; R426-D429 PolarHBondContact NE-OD2 2.95Å; R426-D429 VanDerWaalsContact NH2-CG 3.27Å; R426-D429 IonicContact NH2-OD1 2.93Å; R426-D429 PolarHBondContact NH2-OD1 2.99Å; R426-D429 IonicContact NH2-OD2 3.23Å; R426-D429 PolarHBondContact NH2-OD2 3.29Å; R426-D429 PolarHBondContact O-N 2.9Å; R426-D429 VanDerWaalsContact O-N 3.12Å; R426-L430 PolarHBondContact O-N 3.44Å |
| 427 | N | 84.8 | Confident | 85.8 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.4 | -29 | 178.4 | -170 | -102.1 | 0 | 0 | 0 | 113.7 | F415 K431 | F415-N427 HydrophobicContact CD1-CB 3.91Å; F415-N427 HydrophobicContact CD2-CB 4.4Å; F415-N427 VanDerWaalsContact CD2-N 3.32Å; F415-N427 HydrophobicContact CE1-CB 3.82Å; F415-N427 HydrophobicContact CE2-CB 4.32Å; F415-N427 HydrophobicContact CG-CB 4.2Å; F415-N427 HydrophobicContact CZ-CB 4.03Å; N427-K431 PolarHBondContact O-N 2.96Å; N427-K431 WeakPolarHBondContact OD1-CD 3.44Å; N427-K431 VanDerWaalsContact OD1-CE 3.22Å; N427-K431 WeakPolarHBondContact OD1-CE 3.38Å; N427-K431 PolarHBondContact OD1-NZ 3.18Å |
| 428 | F | 86.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 81.8 Ų | 81.8 | 64% | 0.64 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.9 | 178.3 | -95.2 | 0 | 0 | 0 | 112.3 | R426 K431 K432 | R426-F428 PolarHBondContact O-N 3.05Å; F428-K431 PolarHBondContact O-N 3.09Å; F428-K432 HydrophobicContact CE1-CD 4.33Å; F428-K432 WeakPolarHBondContact O-CB 3.16Å; F428-K432 PolarHBondContact O-N 3.03Å |
| 429 | D | 86.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 81.3 Ų | 81.3 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 179 | -57.5 | -42.6 | 0 | 0 | 0 | 110.5 | F424 R426 K431 K432 H433 | F424-D429 HydrophobicContact CB-CB 4.37Å; F424-D429 HydrophobicContact CD1-CB 3.86Å; F424-D429 HydrophobicContact CG-CB 4.38Å; R426-D429 WeakPolarHBondContact CB-OD2 3.44Å; R426-D429 IonicContact CZ-OD1 3.76Å; R426-D429 IonicContact CZ-OD2 2.7Å; R426-D429 VanDerWaalsContact CZ-OD2 3.23Å; R426-D429 IonicContact NE-OD1 2.81Å; R426-D429 IonicContact NE-OD2 3.07Å; R426-D429 PolarHBondContact NE-OD2 2.95Å; R426-D429 VanDerWaalsContact NH2-CG 3.27Å; R426-D429 IonicContact NH2-OD1 2.93Å; R426-D429 PolarHBondContact NH2-OD1 2.99Å; R426-D429 IonicContact NH2-OD2 3.23Å; R426-D429 PolarHBondContact NH2-OD2 3.29Å; R426-D429 PolarHBondContact O-N 2.9Å; R426-D429 VanDerWaalsContact O-N 3.12Å; D429-K431 PolarHBondContact O-N 2.92Å; D429-K432 PolarHBondContact O-N 2.77Å; D429-H433 VanDerWaalsContact O-CB 3.32Å; D429-H433 WeakPolarHBondContact O-CB 3.36Å; D429-H433 PolarHBondContact O-N 3.14Å |
| 430 | L | 88.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 170.6 | 172.4 | 60.8 | 0 | 0 | 0 | 111.5 | F415 T416 C417 F424 R426 K432 H433 V434 | F415-L430 HydrophobicContact CB-CB 4.2Å; F415-L430 HydrophobicContact CB-CD2 3.83Å; T416-L430 WeakPolarHBondContact O-CD2 3.38Å; C417-L430 HydrophobicContact CB-CD1 3.55Å; F424-L430 HydrophobicContact CB-CB 4.24Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.82Å; F424-L430 HydrophobicContact CD2-CG 4.42Å; F424-L430 HydrophobicContact CE2-CD1 3.98Å; F424-L430 HydrophobicContact CG-CB 4.17Å; R426-L430 PolarHBondContact O-N 3.44Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.28Å; L430-H433 WeakPolarHBondContact O-CB 3.39Å; L430-H433 PolarHBondContact O-N 3.01Å; L430-V434 HydrophobicContact CD1-CG2 3.85Å; L430-V434 HydrophobicContact CG-CG2 4.44Å; L430-V434 WeakPolarHBondContact O-CB 3.43Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.28Å |
| 431 | K | 87.4 | Confident | 81.9 | Confident | 127 Ų | 127 | 84 Ų | 84 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.3 | -35.4 | 177.8 | -79.3 | 173.8 | 172.1 | 156.7 | 0 | 113 | N427 F428 D429 R435 | N427-K431 PolarHBondContact O-N 2.96Å; N427-K431 WeakPolarHBondContact OD1-CD 3.44Å; N427-K431 VanDerWaalsContact OD1-CE 3.22Å; N427-K431 WeakPolarHBondContact OD1-CE 3.38Å; N427-K431 PolarHBondContact OD1-NZ 3.18Å; F428-K431 PolarHBondContact O-N 3.09Å; D429-K431 PolarHBondContact O-N 2.92Å; K431-R435 VanDerWaalsContact O-CB 3.31Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 PolarHBondContact O-N 2.77Å |
| 432 | K | 88.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 84 Ų | 84 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -33.6 | 174.2 | -176.5 | 178.4 | 176.1 | -175.9 | 0 | 112.1 | F428 D429 L430 K436 | F428-K432 HydrophobicContact CE1-CD 4.33Å; F428-K432 WeakPolarHBondContact O-CB 3.16Å; F428-K432 PolarHBondContact O-N 3.03Å; D429-K432 PolarHBondContact O-N 2.77Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.28Å; K432-K436 HydrophobicContact CG-CD 4.4Å; K432-K436 WeakPolarHBondContact O-CB 3.3Å; K432-K436 WeakPolarHBondContact O-CG 3.46Å; K432-K436 PolarHBondContact O-N 3.31Å |
| 433 | H | 88.5 | Confident | 78 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 12% | 0.116 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.8 | -53.9 | 173.4 | 170.8 | 79.6 | 0 | 0 | 0 | 110.9 | C420 F424 D429 L430 R435 K436 L437 H438 | C420-H433 PolarHBondContact SG-NE2 2.79Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 4Å; F424-H433 AromaticContact CE2-CD2 3.78Å; F424-H433 AromaticContact CE2-CG 3.79Å; F424-H433 HydrophobicContact CZ-CB 3.51Å; F424-H433 AromaticContact CZ-CD2 3.78Å; F424-H433 AromaticContact CZ-CG 3.33Å; F424-H433 AromaticContact CZ-ND1 3.63Å; D429-H433 VanDerWaalsContact O-CB 3.32Å; D429-H433 WeakPolarHBondContact O-CB 3.36Å; D429-H433 PolarHBondContact O-N 3.14Å; L430-H433 WeakPolarHBondContact O-CB 3.39Å; L430-H433 PolarHBondContact O-N 3.01Å; H433-R435 PolarHBondContact O-N 2.8Å; H433-K436 PolarHBondContact O-N 2.82Å; H433-L437 WeakPolarHBondContact ND1-CD1 3.22Å; H433-L437 PolarHBondContact O-N 3.39Å; H433-H438 AromaticContact CD2-CD2 3.89Å; H433-H438 AromaticContact CD2-NE2 3.83Å; H433-H438 AromaticContact NE2-CD2 3.66Å; H433-H438 AromaticContact NE2-NE2 3.13Å; H433-H438 PolarHBondContact NE2-NE2 3.11Å; H433-H438 VanDerWaalsContact NE2-NE2 3.13Å |
| 434 | V | 88.1 | Confident | 75.8 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L430 K436 L437 H438 D439 | L430-V434 HydrophobicContact CD1-CG2 3.85Å; L430-V434 HydrophobicContact CG-CG2 4.44Å; L430-V434 WeakPolarHBondContact O-CB 3.43Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.28Å; V434-K436 PolarHBondContact O-N 3.39Å; V434-K436 VanDerWaalsContact O-N 3.15Å; V434-L437 PolarHBondContact O-N 3.46Å; V434-H438 HydrophobicContact CG1-CB 4.33Å; V434-H438 CarbonylContact O-C 3.57Å; V434-H438 WeakPolarHBondContact O-CA 3.12Å; V434-H438 PolarHBondContact O-N 3.1Å; V434-D439 VanDerWaalsContact CG1-OD1 3.27Å; V434-D439 WeakPolarHBondContact CG1-OD1 3.22Å; V434-D439 PolarHBondContact O-N 3Å |
| 435 | R | 87.9 | Confident | 73.7 | Confident | 188 Ų | 188 | 89.1 Ų | 89.1 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -26 | 176.7 | -169.6 | 178.1 | -61.3 | 170 | 0.1 | 115.6 | K431 H433 D439 | K431-R435 VanDerWaalsContact O-CB 3.31Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 PolarHBondContact O-N 2.77Å; H433-R435 PolarHBondContact O-N 2.8Å; R435-D439 VanDerWaalsContact CA-OD2 3.25Å; R435-D439 WeakPolarHBondContact CA-OD2 3.5Å; R435-D439 WeakPolarHBondContact CB-OD2 3.48Å; R435-D439 WeakPolarHBondContact CG-OD2 3.16Å |
| 436 | K | 86.4 | Confident | 71.5 | Confident | 155 Ų | 155 | 94 Ų | 94 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -94.3 | -18.1 | -177.5 | -83.1 | -179.3 | 157.2 | -77.7 | 0 | 114.3 | K432 H433 V434 | K432-K436 HydrophobicContact CG-CD 4.4Å; K432-K436 WeakPolarHBondContact O-CB 3.3Å; K432-K436 WeakPolarHBondContact O-CG 3.46Å; K432-K436 PolarHBondContact O-N 3.31Å; H433-K436 PolarHBondContact O-N 2.82Å; V434-K436 PolarHBondContact O-N 3.39Å; V434-K436 VanDerWaalsContact O-N 3.15Å |
| 437 | L | 84.4 | Confident | 69.4 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -138.8 | -11.3 | -166.8 | -66.1 | 170.1 | 0 | 0 | 0 | 114.4 | H433 V434 | H433-L437 WeakPolarHBondContact ND1-CD1 3.22Å; H433-L437 PolarHBondContact O-N 3.39Å; V434-L437 PolarHBondContact O-N 3.46Å |
| 438 | H | 81.8 | Confident | 67.3 | Low | 32 Ų | 32 | 94.5 Ų | 94.5 | 15% | 0.148 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -27.9 | -177.9 | -57.6 | -55.9 | 0 | 0 | 0 | 114 | C417 T419 C420 H433 V434 S440 V441 | C417-H438 PolarHBondContact SG-CD2 3.27Å; C417-H438 PolarHBondContact SG-NE2 3.04Å; C417-H438 VanDerWaalsContact SG-NE2 3.44Å; T419-H438 HydrophobicContact CG2-CB 4.49Å; T419-H438 WeakPolarHBondContact CG2-ND1 3.33Å; C420-H438 PolarHBondContact SG-NE2 2.88Å; C420-H438 VanDerWaalsContact SG-NE2 3.44Å; H433-H438 AromaticContact CD2-CD2 3.89Å; H433-H438 AromaticContact CD2-NE2 3.83Å; H433-H438 AromaticContact NE2-CD2 3.66Å; H433-H438 AromaticContact NE2-NE2 3.13Å; H433-H438 PolarHBondContact NE2-NE2 3.11Å; H433-H438 VanDerWaalsContact NE2-NE2 3.13Å; V434-H438 HydrophobicContact CG1-CB 4.33Å; V434-H438 CarbonylContact O-C 3.57Å; V434-H438 WeakPolarHBondContact O-CA 3.12Å; V434-H438 PolarHBondContact O-N 3.1Å; H438-S440 PolarHBondContact O-N 3.11Å; H438-V441 PolarHBondContact O-N 3.45Å |
| 439 | D | 72.3 | Confident | 65.3 | Low | 100 Ų | 100 | 95.3 Ų | 95.3 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -5.9 | 175.2 | -75.3 | 4.6 | 0 | 0 | 0 | 113.1 | V434 R435 V441 | V434-D439 VanDerWaalsContact CG1-OD1 3.27Å; V434-D439 WeakPolarHBondContact CG1-OD1 3.22Å; V434-D439 PolarHBondContact O-N 3Å; R435-D439 VanDerWaalsContact CA-OD2 3.25Å; R435-D439 WeakPolarHBondContact CA-OD2 3.5Å; R435-D439 WeakPolarHBondContact CB-OD2 3.48Å; R435-D439 WeakPolarHBondContact CG-OD2 3.16Å; D439-V441 VanDerWaalsContact C-N 3.31Å |
| 440 | S | 58.5 | Low | 63.1 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 72% | 0.72 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -9 | 167.3 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | H438 | H438-S440 PolarHBondContact O-N 3.11Š|
| 441 | V | 52.9 | Low | 61 | Low | 104 Ų | 104 | 107.7 Ų | 107.7 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -117.8 | 94.1 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | H438 D439 | H438-V441 PolarHBondContact O-N 3.45Å; D439-V441 VanDerWaalsContact C-N 3.31Å |
| 442 | G | 43.3 | Very low | 59 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | trans | -55 | 153.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A444 | G442-A444 PolarHBondContact O-N 3.14Š| ||
| 443 | P | 41.8 | Very low | 56.8 | Low | 135 Ų | 135 | 114 Ų | 114 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | trans | -56.4 | 109.7 | -170.9 | 23.7 | -34.3 | 0 | 0 | 0 | 110.5 | A445 | P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.09Å | ||
| 444 | A | 38.8 | Very low | 54.4 | Low | 89 Ų | 89 | 119.5 Ų | 119.5 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 117.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G442 | G442-A444 PolarHBondContact O-N 3.14Š|
| 445 | A | 37.7 | Very low | 52.3 | Low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61 | 139.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P443 S447 | P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.09Å; A445-S447 PolarHBondContact O-N 3.3Å |
| 446 | P | 37 | Very low | 50.3 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.4 | 177.3 | 24.6 | -33.2 | 0 | 0 | 0 | 109.6 | A448 | P446-A448 PolarHBondContact O-N 2.78Š|
| 447 | S | 35.7 | Very low | 48.1 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.7 | 179.9 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | A445 K449 | A445-S447 PolarHBondContact O-N 3.3Å; S447-K449 VanDerWaalsContact C-N 3.29Å; S447-K449 PolarHBondContact O-N 3.37Å |
| 448 | A | 41.8 | Very low | 46.3 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 77.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P446 | P446-A448 PolarHBondContact O-N 2.78Š|
| 449 | K | 43.9 | Very low | 44.4 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | -16.5 | 178.3 | -71.2 | -164.9 | 173.3 | -170.2 | 0 | 116.5 | S447 | S447-K449 VanDerWaalsContact C-N 3.29Å; S447-K449 PolarHBondContact O-N 3.37Å |
| 450 | D | 39.6 | Very low | 42.8 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -107.4 | 39.2 | -168.6 | -60.3 | -58.4 | 0 | 0 | 0 | 115.2 | ||
| 451 | L | 43.6 | Very low | 41.9 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -140.8 | 28 | 175 | -86.4 | -176.1 | 0 | 0 | 0 | 115.2 | ||
| 452 | T | 47.1 | Very low | 41.2 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -131.6 | 26.4 | 178.5 | 49.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 453 | R | 41.2 | Very low | 41.1 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | trans | -155.7 | 75.9 | 166.5 | -161.3 | 173 | 173.3 | 162.8 | -2.6 | 116.4 | ||||
| 454 | T | 38.8 | Very low | 41 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -137.3 | 108.9 | 140 | -48.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 455 | V | 44 | Very low | 41.2 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 74% | 0.739 | 84% | 0.838 | S | S | * | * | trans | -114.7 | 158.1 | 171.6 | 165.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 456 | Q | 45.3 | Very low | 41.5 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | 71.9 | 141.8 | -170.3 | -62.6 | 144.5 | -13.8 | 0 | 0 | 113.2 | ||||
| 457 | S | 39.9 | Very low | 41.9 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 100% | 1.322 | 85% | 0.851 | S | S | * | * | cis | -94.3 | 0 | 4.2 | 59.4 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 457 of 457 residues in 229.7 ms
(Link to these results)