| 1 | M | 38 | Very low | 43 | Very low | 241 Ų | 241 | 139.5 Ų | 139.5 | 100% | 1.187 | 76% | 0.757 | S | S | * | * | | | | 0 | 111.5 | 0 | -72.9 | -165.1 | 140.1 | 0 | 0 | 108 | | |
| 2 | C | 40.2 | Very low | 43.8 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 89% | 0.892 | 76% | 0.755 | S | S | * | * | | | trans | 178.8 | 72.9 | 163 | -93.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 3 | S | 35.1 | Very low | 44.2 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | | | trans | -138.2 | 66.6 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 43.2 | Very low | 44.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | -173.5 | 99.4 | 170.9 | 46.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 5 | N | 43.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | | | trans | -168 | 20.6 | 158.2 | -99 | -2.5 | 0 | 0 | 0 | 113.7 | | |
| 6 | V | 46.7 | Very low | 45.6 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.8 | -12.2 | 178.1 | -170.4 | 0 | 0 | 0 | 0 | 112 | T9 | V6-T9 PolarHBondContact O-OG1 2.75Š|
| 7 | S | 45.4 | Very low | 45.9 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -87.9 | -19.3 | -177.6 | 54 | 0 | 0 | 0 | 0 | 115 | W11 | S7-W11 VanDerWaalsContact O-CD1 3.26Š|
| 8 | E | 43.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.9 | -29.4 | -176.4 | -77.3 | -171.4 | 157.9 | 0 | 0 | 113.7 | Y10 W11 M12 | E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 2.65Å; E8-W11 PolarHBondContact O-N 3.29Å; E8-M12 PolarHBondContact O-N 2.95Å |
| 9 | T | 49.4 | Very low | 46.5 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.4 | -30.7 | 179.8 | 31.9 | 0 | 0 | 0 | 0 | 112.8 | V6 M12 Q13 | V6-T9 PolarHBondContact O-OG1 2.75Å; T9-M12 PolarHBondContact O-N 2.92Å; T9-Q13 PolarHBondContact O-N 3.25Å |
| 10 | Y | 42.2 | Very low | 46.7 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.7 | -34.7 | -178.8 | -151.7 | -96.6 | 0 | 0 | 0 | 112.4 | E8 Q13 L14 | E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 2.65Å; Y10-Q13 PolarHBondContact O-N 3.06Å; Y10-L14 PolarHBondContact O-N 2.95Å |
| 11 | W | 45 | Very low | 46.8 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.3 | -38.8 | 176.5 | -67.3 | 112.1 | 0 | 0 | 0 | 112.3 | S7 E8 Q13 L14 D15 | S7-W11 VanDerWaalsContact O-CD1 3.26Å; E8-W11 PolarHBondContact O-N 3.29Å; W11-Q13 VanDerWaalsContact C-N 3.25Å; W11-Q13 PolarHBondContact O-N 2.9Å; W11-L14 HydrophobicContact CE3-CD1 4.09Å; W11-L14 HydrophobicContact CZ3-CD1 4.15Å; W11-L14 PolarHBondContact O-N 3.07Å; W11-D15 PolarHBondContact O-N 3.43Å |
| 12 | M | 52.5 | Low | 47.3 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65 | -28.6 | 176.4 | -74.9 | -149 | 142.9 | 0 | 0 | 113.4 | E8 T9 D15 K16 | E8-M12 PolarHBondContact O-N 2.95Å; T9-M12 PolarHBondContact O-N 2.92Å; M12-D15 PolarHBondContact O-N 2.89Å; M12-K16 PolarHBondContact O-N 3Å |
| 13 | Q | 49.9 | Very low | 47.9 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.8 | -31.3 | -179.9 | -163.2 | 152.9 | -1 | 0 | 0 | 112.7 | T9 Y10 W11 D15 | T9-Q13 PolarHBondContact O-N 3.25Å; Y10-Q13 PolarHBondContact O-N 3.06Å; W11-Q13 VanDerWaalsContact C-N 3.25Å; W11-Q13 PolarHBondContact O-N 2.9Å; Q13-D15 VanDerWaalsContact C-N 3.32Å |
| 14 | L | 49.6 | Very low | 48.6 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.4 | -37 | 171.3 | -75.3 | 170.2 | 0 | 0 | 0 | 111.5 | Y10 W11 K16 S17 L18 | Y10-L14 PolarHBondContact O-N 2.95Å; W11-L14 HydrophobicContact CE3-CD1 4.09Å; W11-L14 HydrophobicContact CZ3-CD1 4.15Å; W11-L14 PolarHBondContact O-N 3.07Å; L14-K16 PolarHBondContact O-N 2.68Å; L14-S17 WeakPolarHBondContact O-CB 3.45Å; L14-S17 PolarHBondContact O-N 3.07Å; L14-S17 VanDerWaalsContact O-N 3.1Å; L14-S17 PolarHBondContact O-OG 2.99Å; L14-L18 PolarHBondContact O-N 3Å |
| 15 | D | 54.2 | Low | 48.9 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.8 | -38.3 | -176.5 | -139.2 | 4.1 | 0 | 0 | 0 | 112.3 | W11 M12 Q13 S17 L18 I19 | W11-D15 PolarHBondContact O-N 3.43Å; M12-D15 PolarHBondContact O-N 2.89Å; Q13-D15 VanDerWaalsContact C-N 3.32Å; D15-S17 VanDerWaalsContact C-N 3.25Å; D15-S17 PolarHBondContact O-N 3.14Å; D15-L18 WeakPolarHBondContact O-CB 3.25Å; D15-L18 PolarHBondContact O-N 2.84Å; D15-I19 WeakPolarHBondContact O-CG1 3.41Å; D15-I19 PolarHBondContact O-N 2.74Å |
| 16 | K | 50.1 | Low | 49.2 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60 | -35.3 | 172.8 | -72 | -174.8 | 177.9 | -178.8 | 0 | 112.9 | M12 L14 L18 A20 | M12-K16 PolarHBondContact O-N 3Å; L14-K16 PolarHBondContact O-N 2.68Å; K16-L18 VanDerWaalsContact C-N 3.32Å; K16-A20 PolarHBondContact O-N 3.04Å; K16-A20 VanDerWaalsContact O-N 3.11Å |
| 17 | S | 51.7 | Low | 49.2 | Very low | 59 Ų | 59 | 118 Ų | 118 | 41% | 0.413 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.8 | -28.8 | 176.8 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | L14 D15 R21 | L14-S17 WeakPolarHBondContact O-CB 3.45Å; L14-S17 PolarHBondContact O-N 3.07Å; L14-S17 VanDerWaalsContact O-N 3.1Å; L14-S17 PolarHBondContact O-OG 2.99Å; D15-S17 VanDerWaalsContact C-N 3.25Å; D15-S17 PolarHBondContact O-N 3.14Å; S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.42Å |
| 18 | L | 49.3 | Very low | 49.4 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.2 | -43 | 175 | -157.1 | 87.3 | 0 | 0 | 0 | 111 | L14 D15 K16 A20 R21 Q22 | L14-L18 PolarHBondContact O-N 3Å; D15-L18 WeakPolarHBondContact O-CB 3.25Å; D15-L18 PolarHBondContact O-N 2.84Å; K16-L18 VanDerWaalsContact C-N 3.32Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 2.91Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-R21 VanDerWaalsContact O-N 3.11Å; L18-Q22 PolarHBondContact O-N 3.23Å; L18-Q22 VanDerWaalsContact O-N 3.11Å |
| 19 | I | 53.2 | Low | 49.7 | Very low | 95 Ų | 95 | 117 Ų | 117 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.6 | -44.8 | 176.1 | -62.7 | 166.6 | 0 | 0 | 0 | 110.5 | D15 R21 Q22 E23 | D15-I19 WeakPolarHBondContact O-CG1 3.41Å; D15-I19 PolarHBondContact O-N 2.74Å; I19-R21 PolarHBondContact O-N 2.76Å; I19-Q22 PolarHBondContact O-N 2.82Å; I19-E23 PolarHBondContact O-N 3.08Å; I19-E23 VanDerWaalsContact O-N 3.14Å |
| 20 | A | 50 | Low | 49.6 | Very low | 54 Ų | 54 | 117.7 Ų | 117.7 | 45% | 0.446 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.9 | -32 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K16 L18 V24 | K16-A20 PolarHBondContact O-N 3.04Å; K16-A20 VanDerWaalsContact O-N 3.11Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 2.91Å; A20-V24 WeakPolarHBondContact O-CG2 3.38Å |
| 21 | R | 48.8 | Very low | 49.8 | Very low | 193 Ų | 193 | 116.2 Ų | 116.2 | 73% | 0.728 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.6 | -25 | 175.4 | -74 | 179.3 | 172.3 | -172.7 | -0.4 | 113.2 | S17 L18 I19 K25 | S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.42Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-R21 VanDerWaalsContact O-N 3.11Å; I19-R21 PolarHBondContact O-N 2.76Å; R21-K25 PolarHBondContact O-N 2.86Å |
| 22 | Q | 50.4 | Low | 49.9 | Very low | 139 Ų | 139 | 114.6 Ų | 114.6 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.8 | -35.7 | 179 | -163.5 | 139.2 | 13.2 | 0 | 0 | 111.9 | L18 I19 V24 K25 S26 | L18-Q22 PolarHBondContact O-N 3.23Å; L18-Q22 VanDerWaalsContact O-N 3.11Å; I19-Q22 PolarHBondContact O-N 2.82Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 3Å; Q22-K25 PolarHBondContact O-N 3.04Å; Q22-S26 PolarHBondContact O-N 3.31Å; Q22-S26 VanDerWaalsContact O-N 3.15Å |
| 23 | E | 50.9 | Low | 49.8 | Very low | 134 Ų | 134 | 110.2 Ų | 110.2 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -34.8 | 173.2 | -70.1 | -173.7 | 167.4 | 0 | 0 | 112.6 | I19 K25 S26 A27 | I19-E23 PolarHBondContact O-N 3.08Å; I19-E23 VanDerWaalsContact O-N 3.14Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.06Å; E23-S26 PolarHBondContact O-N 2.86Å; E23-S26 PolarHBondContact O-OG 3.1Å; E23-A27 PolarHBondContact O-N 3.15Å |
| 24 | V | 50.8 | Low | 49.5 | Very low | 97 Ų | 97 | 109.7 Ų | 109.7 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.8 | -33.1 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | A20 Q22 V28 | A20-V24 WeakPolarHBondContact O-CG2 3.38Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 3Å; V24-V28 WeakPolarHBondContact O-CG2 3.45Å; V24-V28 PolarHBondContact O-N 3.16Å |
| 25 | K | 50.1 | Low | 49.2 | Very low | 159 Ų | 159 | 113.3 Ų | 113.3 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -37.4 | 176.8 | -82.4 | -177.4 | 176.4 | 179.5 | 0 | 112.7 | R21 Q22 E23 V28 T29 | R21-K25 PolarHBondContact O-N 2.86Å; Q22-K25 PolarHBondContact O-N 3.04Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.06Å; K25-V28 PolarHBondContact O-N 2.9Å; K25-T29 PolarHBondContact O-N 3.13Å; K25-T29 PolarHBondContact O-OG1 2.99Å |
| 26 | S | 49.3 | Very low | 48.9 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -39.7 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | Q22 E23 V28 T29 D30 | Q22-S26 PolarHBondContact O-N 3.31Å; Q22-S26 VanDerWaalsContact O-N 3.15Å; E23-S26 PolarHBondContact O-N 2.86Å; E23-S26 PolarHBondContact O-OG 3.1Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 2.96Å; S26-T29 WeakPolarHBondContact CA-OG1 3.28Å; S26-T29 PolarHBondContact O-N 3.17Å; S26-T29 PolarHBondContact O-OG1 3.12Å; S26-D30 PolarHBondContact O-N 3.23Å; S26-D30 VanDerWaalsContact O-N 3.1Å |
| 27 | A | 47.1 | Very low | 48.9 | Very low | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.8 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E23 M31 | E23-A27 PolarHBondContact O-N 3.15Å; A27-M31 PolarHBondContact O-N 2.73Å |
| 28 | V | 48.3 | Very low | 48.6 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.5 | -34.1 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 112 | V24 K25 S26 K32 | V24-V28 WeakPolarHBondContact O-CG2 3.45Å; V24-V28 PolarHBondContact O-N 3.16Å; K25-V28 PolarHBondContact O-N 2.9Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 2.96Å; V28-K32 PolarHBondContact O-N 2.82Å |
| 29 | T | 50.4 | Low | 48.3 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.4 | -34.5 | 175.2 | 42.5 | 0 | 0 | 0 | 0 | 112.9 | K25 S26 K32 A33 | K25-T29 PolarHBondContact O-N 3.13Å; K25-T29 PolarHBondContact O-OG1 2.99Å; S26-T29 WeakPolarHBondContact CA-OG1 3.28Å; S26-T29 PolarHBondContact O-N 3.17Å; S26-T29 PolarHBondContact O-OG1 3.12Å; T29-K32 PolarHBondContact O-N 2.98Å; T29-A33 PolarHBondContact O-N 3.1Å; T29-A33 VanDerWaalsContact O-N 3.14Å |
| 30 | D | 48.2 | Very low | 47.9 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.6 | -36.3 | -178.2 | -140.7 | 8.7 | 0 | 0 | 0 | 112 | S26 K32 A33 Q34 | S26-D30 PolarHBondContact O-N 3.23Å; S26-D30 VanDerWaalsContact O-N 3.1Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 2.84Å; D30-A33 PolarHBondContact O-N 2.8Å; D30-Q34 PolarHBondContact O-N 3.31Å; D30-Q34 VanDerWaalsContact O-N 3.12Å |
| 31 | M | 46 | Very low | 47.6 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 70% | 0.7 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66 | -29.1 | 172.7 | -74.7 | -163.1 | 71.1 | 0 | 0 | 113.5 | A27 K35 | A27-M31 PolarHBondContact O-N 2.73Å; M31-K35 PolarHBondContact O-N 3.11Å |
| 32 | K | 47.5 | Very low | 47.1 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.8 | -37.9 | 177.9 | -163.2 | 167.4 | -175.8 | 177.2 | 0 | 111.7 | V28 T29 D30 K35 | V28-K32 PolarHBondContact O-N 2.82Å; T29-K32 PolarHBondContact O-N 2.98Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 2.84Å; K32-K35 PolarHBondContact O-N 2.9Å |
| 33 | A | 49.4 | Very low | 46.4 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.5 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T29 D30 K35 D36 V37 | T29-A33 PolarHBondContact O-N 3.1Å; T29-A33 VanDerWaalsContact O-N 3.14Å; D30-A33 PolarHBondContact O-N 2.8Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 2.87Å; A33-D36 PolarHBondContact O-N 2.92Å; A33-V37 PolarHBondContact O-N 3.49Å |
| 34 | Q | 43.8 | Very low | 45.9 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.1 | -31.9 | 175.4 | -89.7 | -167.8 | -6.4 | 0 | 0 | 113.4 | D30 D36 V37 F38 | D30-Q34 PolarHBondContact O-N 3.31Å; D30-Q34 VanDerWaalsContact O-N 3.12Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; Q34-D36 PolarHBondContact O-N 3.11Å; Q34-V37 PolarHBondContact O-N 3.4Å; Q34-F38 WeakPolarHBondContact O-CD2 3.39Å |
| 35 | K | 44.7 | Very low | 45.2 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.9 | -31.6 | 177.7 | -104.9 | 179.2 | 175.2 | 176.4 | 0 | 113.4 | M31 K32 A33 S39 | M31-K35 PolarHBondContact O-N 3.11Å; K32-K35 PolarHBondContact O-N 2.9Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 2.87Å; K35-S39 PolarHBondContact O-OG 2.95Å |
| 36 | D | 47.9 | Very low | 44.8 | Very low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.3 | -24.5 | 179.7 | -79 | -16 | 0 | 0 | 0 | 113.1 | A33 Q34 F38 S39 | A33-D36 PolarHBondContact O-N 2.92Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; Q34-D36 PolarHBondContact O-N 3.11Å; D36-F38 PolarHBondContact O-N 3.04Å; D36-S39 PolarHBondContact O-N 3.47Å |
| 37 | V | 48.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.8 | -34.8 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | A33 Q34 S39 | A33-V37 PolarHBondContact O-N 3.49Å; Q34-V37 PolarHBondContact O-N 3.4Å; V37-S39 PolarHBondContact O-N 3.35Å |
| 38 | F | 46.4 | Very low | 43.6 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 75% | 0.746 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -13.2 | 179.2 | -73.7 | -71.9 | 0 | 0 | 0 | 114 | Q34 D36 | Q34-F38 WeakPolarHBondContact O-CD2 3.39Å; D36-F38 PolarHBondContact O-N 3.04Å |
| 39 | S | 43 | Very low | 43 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -10.1 | -176.9 | -61 | 0 | 0 | 0 | 0 | 114.3 | K35 D36 V37 | K35-S39 PolarHBondContact O-OG 2.95Å; D36-S39 PolarHBondContact O-N 3.47Å; V37-S39 PolarHBondContact O-N 3.35Å |
| 40 | L | 45.1 | Very low | 42.3 | Very low | 147 Ų | 147 | 141 Ų | 141 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -103.8 | -5.2 | -168.8 | -91.4 | 162.3 | 0 | 0 | 0 | 117.3 | | |
| 41 | N | 42.5 | Very low | 41.8 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | trans | -123.6 | 9.3 | -171.3 | -75.7 | -42.7 | 0 | 0 | 0 | 117.3 | R43 | N41-R43 PolarHBondContact O-N 3.03Š|
| 42 | Y | 39.4 | Very low | 41.3 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | | | trans | -82.1 | 85 | 173.7 | -160.9 | -97.9 | 0 | 0 | 0 | 111.2 | P44 | Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CG 4.3Å; Y42-P44 WeakPolarHBondContact O-CD 3.49Å |
| 43 | R | 35.8 | Very low | 40.5 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | | | trans | -89.9 | 112.5 | 166.9 | -128.2 | -177.2 | -170.5 | -179 | 3.5 | 108.4 | N41 T45 | N41-R43 PolarHBondContact O-N 3.03Å; R43-T45 PolarHBondContact O-N 3.18Å; R43-T45 VanDerWaalsContact O-N 3.13Å |
| 44 | P | 40.8 | Very low | 40 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | | | trans | -63.6 | 117 | 178.6 | -16.4 | 29 | 0 | 0 | 0 | 109.3 | Y42 S46 | Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CG 4.3Å; Y42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-S46 PolarHBondContact O-N 3.5Å; P44-S46 VanDerWaalsContact O-N 3.16Å |
| 45 | T | 36.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | | | trans | -74.2 | 106.2 | 171.8 | 2 | 0 | 0 | 0 | 0 | 107.7 | R43 K47 | R43-T45 PolarHBondContact O-N 3.18Å; R43-T45 VanDerWaalsContact O-N 3.13Å; T45-K47 VanDerWaalsContact C-N 3.26Å; T45-K47 PolarHBondContact O-N 3.39Å |
| 46 | S | 40.3 | Very low | 39 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | -66.2 | 86.6 | 168.6 | 55.4 | 0 | 0 | 0 | 0 | 109 | P44 T48 | P44-S46 PolarHBondContact O-N 3.5Å; P44-S46 VanDerWaalsContact O-N 3.16Å; S46-T48 PolarHBondContact O-N 3.36Å; S46-T48 VanDerWaalsContact O-N 3.13Å |
| 47 | K | 37.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 149 Ų | 149 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | -73.8 | 101.1 | 169.5 | -77.8 | -175.8 | 178 | 177.2 | 0 | 108.1 | T45 F49 | T45-K47 VanDerWaalsContact C-N 3.26Å; T45-K47 PolarHBondContact O-N 3.39Å; K47-F49 HydrophobicContact CB-CE2 4.36Å; K47-F49 WeakPolarHBondContact O-CD2 3.43Å; K47-F49 PolarHBondContact O-N 3.24Å |
| 48 | T | 34.5 | Very low | 37.9 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -64.3 | 98 | 172.2 | -34.8 | 0 | 0 | 0 | 0 | 108.8 | S46 K50 | S46-T48 PolarHBondContact O-N 3.36Å; S46-T48 VanDerWaalsContact O-N 3.13Å; T48-K50 PolarHBondContact O-N 3.07Å |
| 49 | F | 36.3 | Very low | 37.5 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | 110 | 169.1 | -76.6 | -84.6 | 0 | 0 | 0 | 108.5 | K47 T51 | K47-F49 HydrophobicContact CB-CE2 4.36Å; K47-F49 WeakPolarHBondContact O-CD2 3.43Å; K47-F49 PolarHBondContact O-N 3.24Å; F49-T51 VanDerWaalsContact C-N 3.28Å; F49-T51 PolarHBondContact O-N 2.92Å |
| 50 | K | 35.3 | Very low | 37.2 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 88.1 | 165.5 | -73.1 | -178.7 | 178 | 178.6 | 0 | 108 | T48 N52 | T48-K50 PolarHBondContact O-N 3.07Å; K50-N52 PolarHBondContact O-N 3.08Å; K50-N52 VanDerWaalsContact O-N 3.11Å |
| 51 | T | 37.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 158.3 Ų | 158.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | -74.2 | 98.2 | 167.3 | 46.9 | 0 | 0 | 0 | 0 | 108 | F49 S53 | F49-T51 VanDerWaalsContact C-N 3.28Å; F49-T51 PolarHBondContact O-N 2.92Å; T51-S53 PolarHBondContact O-N 2.69Å; T51-S53 VanDerWaalsContact O-N 3.14Å |
| 52 | N | 35 | Very low | 36.3 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -55.4 | 117.2 | 165.5 | -72.6 | -30 | 0 | 0 | 0 | 107.8 | K50 P54 | K50-N52 PolarHBondContact O-N 3.08Å; K50-N52 VanDerWaalsContact O-N 3.11Å; N52-P54 WeakPolarHBondContact O-CD 3.47Å |
| 53 | S | 31.8 | Very low | 36 | Very low | 104 Ų | 104 | 156 Ų | 156 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 103.8 | 178 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | T51 R55 | T51-S53 PolarHBondContact O-N 2.69Å; T51-S53 VanDerWaalsContact O-N 3.14Å; S53-R55 PolarHBondContact O-N 3.03Å |
| 54 | P | 38.4 | Very low | 35.8 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | trans | -70.2 | 116.1 | 167.8 | 30 | -31.7 | 0 | 0 | 0 | 107.8 | N52 Y56 | N52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-Y56 VanDerWaalsContact C-N 3.29Å; P54-Y56 HydrophobicContact CB-CD2 4.45Å; P54-Y56 PolarHBondContact O-N 3.14Å |
| 55 | R | 34.1 | Very low | 35.3 | Very low | 246 Ų | 246 | 155.4 Ų | 155.4 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | | | trans | -59.5 | 87.4 | 173.2 | -65.2 | 176.6 | -168.4 | 152.2 | 2 | 109.6 | S53 S57 | S53-R55 PolarHBondContact O-N 3.03Å; R55-S57 PolarHBondContact O-N 3.33Å |
| 56 | Y | 32.4 | Very low | 35.2 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -83.1 | 104.5 | 166.2 | -99.7 | -86.7 | 0 | 0 | 0 | 109.1 | P54 R58 | P54-Y56 VanDerWaalsContact C-N 3.29Å; P54-Y56 HydrophobicContact CB-CD2 4.45Å; P54-Y56 PolarHBondContact O-N 3.14Å; Y56-R58 PolarHBondContact O-N 2.76Å |
| 57 | S | 36.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 160.6 Ų | 160.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 97.9 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | R55 K59 | R55-S57 PolarHBondContact O-N 3.33Å; S57-K59 PolarHBondContact O-N 3.33Å |
| 58 | R | 37.1 | Very low | 34.8 | Very low | 244 Ų | 244 | 162 Ų | 162 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -83.3 | 97.1 | 176.3 | -151.2 | 178.1 | -154.2 | 177.6 | 6.1 | 108.1 | Y56 S60 | Y56-R58 PolarHBondContact O-N 2.76Å; R58-S60 PolarHBondContact O-N 3.4Å |
| 59 | K | 37.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 164.4 Ų | 164.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -53.9 | 120.3 | 169.6 | -67.6 | 178.2 | 179.8 | 178.5 | 0 | 108.6 | S57 L61 | S57-K59 PolarHBondContact O-N 3.33Å; K59-L61 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact O-N 3.17Å |
| 60 | S | 37 | Very low | 34.4 | Very low | 114 Ų | 114 | 161.6 Ų | 161.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -71 | 102.1 | -178.8 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | R58 K62 | R58-S60 PolarHBondContact O-N 3.4Å; S60-K62 PolarHBondContact O-N 3.15Å; S60-K62 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 33.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 158 Ų | 158 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | trans | -75.1 | 98.2 | 165 | -106.5 | 134.4 | 0 | 0 | 0 | 108 | K59 T63 | K59-L61 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact O-N 3.17Å; L61-T63 PolarHBondContact O-N 3.11Å; L61-T63 PolarHBondContact O-OG1 3.43Å |
| 62 | K | 34.8 | Very low | 33.8 | Very low | 181 Ų | 181 | 161.7 Ų | 161.7 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | | | trans | -60.7 | 95.8 | 169.6 | -108 | 174.5 | 173.9 | 176.9 | 0 | 108.9 | S60 | S60-K62 PolarHBondContact O-N 3.15Å; S60-K62 VanDerWaalsContact O-N 3.12Å |
| 63 | T | 32.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 163.7 Ų | 163.7 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | -88.7 | 107.9 | 167.1 | -13.1 | 0 | 0 | 0 | 0 | 108.3 | L61 C65 | L61-T63 PolarHBondContact O-N 3.11Å; L61-T63 PolarHBondContact O-OG1 3.43Å; T63-C65 PolarHBondContact O-N 3.35Å; T63-C65 VanDerWaalsContact O-N 3.08Å |
| 64 | Y | 32.7 | Very low | 33.7 | Very low | 200 Ų | 200 | 167.1 Ų | 167.1 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -63.3 | 101.8 | 172.1 | -90.8 | -97.3 | 0 | 0 | 0 | 109.5 | | |
| 65 | C | 31 | Very low | 33.3 | Very low | 115 Ų | 115 | 167.1 Ų | 167.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | -89.7 | 104.5 | 165.8 | -74.1 | 0 | 0 | 0 | 0 | 108.7 | T63 K67 | T63-C65 PolarHBondContact O-N 3.35Å; T63-C65 VanDerWaalsContact O-N 3.08Å; C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 3.23Å |
| 66 | N | 32.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 164.2 Ų | 164.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -64.5 | 86 | 170.4 | -79.6 | -37.2 | 0 | 0 | 0 | 110.1 | K68 | N66-K68 PolarHBondContact O-N 2.9Š|
| 67 | K | 35 | Very low | 33 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -86.1 | 91.2 | 173 | -158.9 | 162.9 | -174.8 | 173.5 | 0 | 108.7 | C65 H69 | C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 3.23Å; K67-H69 PolarHBondContact O-N 2.78Å |
| 68 | K | 36.1 | Very low | 32.5 | Very low | 194 Ų | 194 | 162 Ų | 162 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -59.4 | 130.7 | 173 | -71.5 | -172.9 | 177.6 | 179.3 | 0 | 109.8 | N66 | N66-K68 PolarHBondContact O-N 2.9Š|
| 69 | H | 30.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 156.4 Ų | 156.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -57.5 | 128.2 | 177 | -62.2 | -92.4 | 0 | 0 | 0 | 111.4 | K67 | K67-H69 PolarHBondContact O-N 2.78Š|
| 70 | S | 31.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -126 | 91.9 | 157.8 | 166.9 | 0 | 0 | 0 | 0 | 106.9 | Y72 | S70-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact O-N 3.12Å |
| 71 | T | 31.3 | Very low | 31.4 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -71.3 | 94.2 | 175.8 | -44 | 0 | 0 | 0 | 0 | 108.3 | K73 | T71-K73 PolarHBondContact O-N 3.08Š|
| 72 | Y | 29.4 | Very low | 31.1 | Very low | 203 Ų | 203 | 153.7 Ų | 153.7 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -84.9 | 109.8 | 169.3 | -168.6 | -101.6 | 0 | 0 | 0 | 108.4 | S70 Q74 | S70-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-Q74 PolarHBondContact O-N 2.9Å |
| 73 | K | 32.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -69.7 | 107.7 | 173.7 | -71.3 | -160.3 | 174.6 | -170.3 | 0 | 108.7 | T71 | T71-K73 PolarHBondContact O-N 3.08Š|
| 74 | Q | 31.3 | Very low | 30.4 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -87.7 | 113.2 | 169.2 | -161.3 | 169.8 | 5.6 | 0 | 0 | 107.6 | Y72 | Y72-Q74 PolarHBondContact O-N 2.9Š|
| 75 | S | 30.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -64.6 | 126.9 | 175.4 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | N77 | S75-N77 PolarHBondContact O-N 2.87Å; S75-N77 VanDerWaalsContact O-N 3.13Å |
| 76 | E | 29.7 | Very low | 30.1 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -58.8 | 106 | 165.6 | -76.7 | 171.2 | 136.1 | 0 | 0 | 109.4 | | |
| 77 | N | 31.6 | Very low | 29.9 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -114 | 96.7 | 157.5 | -82.8 | -9.8 | 0 | 0 | 0 | 107.2 | S75 T79 | S75-N77 PolarHBondContact O-N 2.87Å; S75-N77 VanDerWaalsContact O-N 3.13Å; N77-T79 PolarHBondContact O-N 3.29Å |
| 78 | T | 25.9 | Very low | 29.5 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -68.1 | 105.4 | 167.8 | -16.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 79 | T | 31.7 | Very low | 29.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -150.4 | 107.1 | 157.7 | -29.9 | 0 | 0 | 0 | 0 | 108.8 | N77 S81 | N77-T79 PolarHBondContact O-N 3.29Å; T79-S81 PolarHBondContact O-N 2.83Å |
| 80 | D | 25.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -60.9 | 119.9 | 169.3 | -64 | -56 | 0 | 0 | 0 | 110.3 | | |
| 81 | S | 30.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -174.2 | 105.1 | 142.7 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | T79 | T79-S81 PolarHBondContact O-N 2.83Š|
| 82 | N | 27.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | 36 | 112.2 | 136.9 | -62.4 | -29.6 | 0 | 0 | 0 | 119.8 | | |
| 83 | N | 25.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | | | trans | 46.5 | 84.3 | 134.7 | -70.2 | -15.1 | 0 | 0 | 0 | 117.4 | | |
| 84 | S | 28 | Very low | 30.3 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -133.6 | 125 | 139.3 | 74.3 | 0 | 0 | 0 | 0 | 109.9 | S86 | S84-S86 PolarHBondContact O-N 3.34Š|
| 85 | L | 29.3 | Very low | 31.1 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | | | trans | -62.8 | 91.3 | -178.4 | -69.1 | 147.2 | 0 | 0 | 0 | 109.7 | | |
| 86 | S | 26.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -99.3 | 72 | 164.1 | -74 | 0 | 0 | 0 | 0 | 109 | S84 T88 | S84-S86 PolarHBondContact O-N 3.34Å; S86-T88 PolarHBondContact O-N 3.31Å |
| 87 | S | 29.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | trans | -85.5 | 88.9 | 169.5 | 67.1 | 0 | 0 | 0 | 0 | 109.6 | I89 | S87-I89 PolarHBondContact O-N 3.05Š|
| 88 | T | 26.6 | Very low | 33.2 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | trans | -51 | 115.9 | 158.7 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | S86 | S86-T88 PolarHBondContact O-N 3.31Š|
| 89 | I | 32.2 | Very low | 34.5 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | trans | -136.7 | 76.7 | 150.3 | -60.5 | -176.5 | 0 | 0 | 0 | 107.3 | S87 I91 | S87-I89 PolarHBondContact O-N 3.05Å; I89-I91 HydrophobicContact CG2-CB 4.49Å; I89-I91 HydrophobicContact CG2-CD1 3.3Å; I89-I91 HydrophobicContact CG2-CG1 3.44Å; I89-I91 VanDerWaalsContact CG2-CG1 3.44Å; I89-I91 PolarHBondContact O-N 3.19Å |
| 90 | G | 28.4 | Very low | 35.7 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 71% | 0.709 | S | S | * | * | | | trans | -77.6 | 90.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 91 | I | 35.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 59% | 0.59 | 70% | 0.695 | S | S | * | * | | | trans | -89.1 | 105.4 | 170.1 | -70.6 | 163 | 0 | 0 | 0 | 108 | I89 N93 | I89-I91 HydrophobicContact CG2-CB 4.49Å; I89-I91 HydrophobicContact CG2-CD1 3.3Å; I89-I91 HydrophobicContact CG2-CG1 3.44Å; I89-I91 VanDerWaalsContact CG2-CG1 3.44Å; I89-I91 PolarHBondContact O-N 3.19Å; I91-N93 HydrophobicContact CG2-CB 4.47Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.05Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.42Å; I91-N93 PolarHBondContact O-N 3.09Å |
| 92 | S | 34.7 | Very low | 38.4 | Very low | 100 Ų | 100 | 119 Ų | 119 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | | | trans | -72 | 84.7 | 170.5 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | N94 | S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3Å |
| 93 | N | 39.5 | Very low | 39.8 | Very low | 102 Ų | 102 | 114.2 Ų | 114.2 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | | | trans | -90.9 | 70.8 | 173.4 | -74.8 | -14.5 | 0 | 0 | 0 | 110.9 | I91 K95 | I91-N93 HydrophobicContact CG2-CB 4.47Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.05Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.42Å; I91-N93 PolarHBondContact O-N 3.09Å; N93-K95 PolarHBondContact O-N 2.89Å |
| 94 | N | 37.4 | Very low | 41.1 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 120 | 159.2 | -68.1 | -32.1 | 0 | 0 | 0 | 107.5 | S92 | S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3Å |
| 95 | K | 46.3 | Very low | 42.6 | Very low | 218 Ų | 218 | 113.6 Ų | 113.6 | 95% | 0.948 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.3 | 31.5 | 180 | -54.6 | 174.7 | 172 | 178.7 | 0 | 117.7 | N93 | N93-K95 PolarHBondContact O-N 2.89Š|
| 96 | S | 45.6 | Very low | 43.8 | Very low | 36 Ų | 36 | 108.7 Ų | 108.7 | 25% | 0.252 | 62% | 0.621 | S | S | . | * | | | trans | -88.5 | 121.9 | 162.3 | 80.9 | 0 | 0 | 0 | 0 | 109.4 | T100 | S96-T100 WeakPolarHBondContact CB-OG1 3.34Š|
| 97 | G | 42.8 | Very low | 45.2 | Very low | 49 Ų | 49 | 109.4 Ų | 109.4 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | | | trans | -57.5 | 160.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 T100 Q101 | G97-V99 PolarHBondContact O-N 3.46Å; G97-T100 PolarHBondContact N-OG1 3.27Å; G97-T100 PolarHBondContact O-N 3.32Å; G97-T100 PolarHBondContact O-OG1 3Å; G97-T100 VanDerWaalsContact O-OG1 3.04Å; G97-Q101 PolarHBondContact O-N 3.47Å |
| 98 | H | 48.2 | Very low | 46.4 | Very low | 168 Ų | 168 | 111 Ų | 111 | 78% | 0.778 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -41.1 | -34.4 | -176.4 | -103.3 | -80.3 | 0 | 0 | 0 | 115.3 | L102 | H98-L102 PolarHBondContact O-N 3.12Å |
| 99 | V | 53.6 | Low | 47.7 | Very low | 122 Ų | 122 | 110 Ų | 110 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -40.6 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | G97 L102 A103 | G97-V99 PolarHBondContact O-N 3.46Å; V99-L102 PolarHBondContact O-N 3.07Å; V99-A103 PolarHBondContact O-N 3.47Å |
| 100 | T | 56.7 | Low | 48.8 | Very low | 66 Ų | 66 | 109.2 Ų | 109.2 | 41% | 0.405 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.3 | -32.8 | -179.8 | -7.9 | 0 | 0 | 0 | 0 | 111.5 | S96 G97 L102 A103 N104 | S96-T100 WeakPolarHBondContact CB-OG1 3.34Å; G97-T100 PolarHBondContact N-OG1 3.27Å; G97-T100 PolarHBondContact O-N 3.32Å; G97-T100 PolarHBondContact O-OG1 3Å; G97-T100 VanDerWaalsContact O-OG1 3.04Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-A103 PolarHBondContact O-N 3.04Å; T100-N104 PolarHBondContact O-N 2.82Å; T100-N104 VanDerWaalsContact O-N 3.13Å |
| 101 | Q | 54.4 | Low | 49.9 | Very low | 117 Ų | 117 | 110 Ų | 110 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -37.8 | 172.9 | -126.2 | 179.7 | 19.9 | 0 | 0 | 111.9 | G97 R105 | G97-Q101 PolarHBondContact O-N 3.47Å; Q101-R105 WeakPolarHBondContact O-CG 3.48Å; Q101-R105 PolarHBondContact O-N 3.19Å; Q101-R105 VanDerWaalsContact O-N 3.17Å |
| 102 | L | 58.2 | Low | 50.7 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.7 | -44.3 | 175.8 | -173.4 | 66.3 | 0 | 0 | 0 | 111.6 | H98 V99 T100 N104 R105 V106 | H98-L102 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.07Å; T100-L102 VanDerWaalsContact C-N 3.33Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.81Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.13Å; L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 2.88Å |
| 103 | A | 57.7 | Low | 51.2 | Low | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.1 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 T100 R105 V106 E107 | V99-A103 PolarHBondContact O-N 3.47Å; T100-A103 PolarHBondContact O-N 3.04Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 3.43Å; A103-V106 PolarHBondContact O-N 3.49Å; A103-E107 PolarHBondContact O-N 3.03Å |
| 104 | N | 52.8 | Low | 51.6 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -36.3 | 176.7 | -73.3 | -3.5 | 0 | 0 | 0 | 112.6 | T100 L102 H108 | T100-N104 PolarHBondContact O-N 2.82Å; T100-N104 VanDerWaalsContact O-N 3.13Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.81Å; N104-H108 PolarHBondContact O-CD2 3.04Å; N104-H108 PolarHBondContact O-N 3.12Å; N104-H108 VanDerWaalsContact O-N 3.14Å |
| 105 | R | 58.5 | Low | 52.1 | Low | 185 Ų | 185 | 107.3 Ų | 107.3 | 70% | 0.698 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.2 | -37.3 | 175.5 | -76.4 | 178.5 | 97.3 | 163 | 5.4 | 112.4 | Q101 L102 A103 H108 L109 | Q101-R105 WeakPolarHBondContact O-CG 3.48Å; Q101-R105 PolarHBondContact O-N 3.19Å; Q101-R105 VanDerWaalsContact O-N 3.17Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.13Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 3.43Å; R105-H108 PolarHBondContact O-N 2.75Å; R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 3.5Å; R105-L109 VanDerWaalsContact O-N 3.13Å |
| 106 | V | 56 | Low | 51.9 | Low | 73 Ų | 73 | 102 Ų | 102 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | L102 A103 H108 L109 L110 | L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 2.88Å; A103-V106 PolarHBondContact O-N 3.49Å; V106-H108 VanDerWaalsContact C-N 3.33Å; V106-H108 PolarHBondContact O-N 3.48Å; V106-L109 PolarHBondContact O-N 3.17Å; V106-L110 HydrophobicContact CG1-CD1 4.14Å; V106-L110 PolarHBondContact O-N 3Å; V106-L110 VanDerWaalsContact O-N 3.08Å |
| 107 | E | 55.3 | Low | 51.8 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.4 | -41.1 | 174.2 | -75.2 | -175.5 | 175.2 | 0 | 0 | 111.9 | A103 L109 L110 I111 | A103-E107 PolarHBondContact O-N 3.03Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 2.72Å; E107-L110 PolarHBondContact O-N 3.05Å; E107-I111 WeakPolarHBondContact O-CG1 3.39Å; E107-I111 PolarHBondContact O-N 2.84Å; E107-I111 VanDerWaalsContact O-N 3.13Å |
| 108 | H | 53.9 | Low | 51.7 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -34.4 | 176.1 | -92.8 | -76.7 | 0 | 0 | 0 | 113.9 | N104 R105 V106 Q112 | N104-H108 PolarHBondContact O-CD2 3.04Å; N104-H108 PolarHBondContact O-N 3.12Å; N104-H108 VanDerWaalsContact O-N 3.14Å; R105-H108 PolarHBondContact O-N 2.75Å; V106-H108 VanDerWaalsContact C-N 3.33Å; V106-H108 PolarHBondContact O-N 3.48Å; H108-Q112 PolarHBondContact O-N 3.39Å |
| 109 | L | 53.9 | Low | 51.2 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.2 | -40.8 | 176.1 | -74 | 168.7 | 0 | 0 | 0 | 111.8 | R105 V106 E107 I111 Q112 D113 | R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 3.5Å; R105-L109 VanDerWaalsContact O-N 3.13Å; V106-L109 PolarHBondContact O-N 3.17Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 2.72Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.26Å; L109-Q112 PolarHBondContact O-N 2.76Å; L109-D113 PolarHBondContact O-N 2.97Å |
| 110 | L | 55.1 | Low | 50.4 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -36.2 | 176.6 | -85.5 | 157.1 | 0 | 0 | 0 | 112.6 | V106 E107 S114 | V106-L110 HydrophobicContact CG1-CD1 4.14Å; V106-L110 PolarHBondContact O-N 3Å; V106-L110 VanDerWaalsContact O-N 3.08Å; E107-L110 PolarHBondContact O-N 3.05Å; L110-S114 PolarHBondContact O-N 3.17Å |
| 111 | I | 52.6 | Low | 49.4 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 177.5 | -64 | 164.1 | 0 | 0 | 0 | 110.8 | E107 L109 D113 S114 I115 | E107-I111 WeakPolarHBondContact O-CG1 3.39Å; E107-I111 PolarHBondContact O-N 2.84Å; E107-I111 VanDerWaalsContact O-N 3.13Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.26Å; I111-D113 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-N 3.03Å; I111-S114 PolarHBondContact O-OG 3.47Å; I111-I115 HydrophobicContact CG2-CD1 3.86Å; I111-I115 HydrophobicContact CG2-CG1 4.45Å; I111-I115 WeakPolarHBondContact O-CG1 3.23Å; I111-I115 PolarHBondContact O-N 3.33Å |
| 112 | Q | 51.5 | Low | 48.3 | Very low | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 178.2 | -80.6 | -170.9 | -31.3 | 0 | 0 | 113.3 | H108 L109 S114 I115 N116 | H108-Q112 PolarHBondContact O-N 3.39Å; L109-Q112 PolarHBondContact O-N 2.76Å; Q112-S114 VanDerWaalsContact C-N 3.3Å; Q112-S114 PolarHBondContact O-N 3.2Å; Q112-I115 PolarHBondContact O-N 2.89Å; Q112-N116 PolarHBondContact O-N 2.88Å |
| 113 | D | 46.3 | Very low | 47.1 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -31.5 | 177.9 | -75.8 | -15.2 | 0 | 0 | 0 | 112.4 | L109 I111 T117 | L109-D113 PolarHBondContact O-N 2.97Å; I111-D113 PolarHBondContact O-N 3.49Å; D113-T117 WeakPolarHBondContact O-CG2 3.5Å; D113-T117 PolarHBondContact O-N 3.22Å; D113-T117 PolarHBondContact O-OG1 3.26Å |
| 114 | S | 46.2 | Very low | 46 | Very low | 63 Ų | 63 | 123.8 Ų | 123.8 | 44% | 0.441 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.3 | -33.4 | 176.2 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | L110 I111 Q112 T117 L118 | L110-S114 PolarHBondContact O-N 3.17Å; I111-S114 PolarHBondContact O-N 3.03Å; I111-S114 PolarHBondContact O-OG 3.47Å; Q112-S114 VanDerWaalsContact C-N 3.3Å; Q112-S114 PolarHBondContact O-N 3.2Å; S114-T117 PolarHBondContact O-OG1 2.83Å; S114-T117 VanDerWaalsContact O-OG1 3.1Å; S114-L118 PolarHBondContact O-N 2.93Å |
| 115 | I | 48.2 | Very low | 44.9 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -76.2 | -37.3 | -179.7 | -58.5 | 166.5 | 0 | 0 | 0 | 110.3 | I111 Q112 T117 L118 S119 | I111-I115 HydrophobicContact CG2-CD1 3.86Å; I111-I115 HydrophobicContact CG2-CG1 4.45Å; I111-I115 WeakPolarHBondContact O-CG1 3.23Å; I111-I115 PolarHBondContact O-N 3.33Å; Q112-I115 PolarHBondContact O-N 2.89Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 2.77Å; I115-L118 PolarHBondContact O-N 3.19Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 VanDerWaalsContact O-N 3.13Å |
| 116 | N | 43.2 | Very low | 43.5 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 57% | 0.572 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.3 | -26.4 | 177.8 | -77.9 | -18.4 | 0 | 0 | 0 | 113.3 | Q112 | Q112-N116 PolarHBondContact O-N 2.88Å |
| 117 | T | 42.5 | Very low | 42.3 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -80.7 | -26.6 | 173.5 | 47.9 | 0 | 0 | 0 | 0 | 113 | D113 S114 I115 N121 | D113-T117 WeakPolarHBondContact O-CG2 3.5Å; D113-T117 PolarHBondContact O-N 3.22Å; D113-T117 PolarHBondContact O-OG1 3.26Å; S114-T117 PolarHBondContact O-OG1 2.83Å; S114-T117 VanDerWaalsContact O-OG1 3.1Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 2.77Å; T117-N121 PolarHBondContact O-ND2 2.87Å |
| 118 | L | 40.3 | Very low | 41 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.3 | -31.5 | 177.6 | -158.5 | 72.5 | 0 | 0 | 0 | 112.9 | S114 I115 Q120 N121 | S114-L118 PolarHBondContact O-N 2.93Å; I115-L118 PolarHBondContact O-N 3.19Å; L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.25Å; L118-N121 PolarHBondContact O-N 2.86Å |
| 119 | S | 38.3 | Very low | 39.9 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.5 | -27.6 | 179.7 | 95.2 | 0 | 0 | 0 | 0 | 113.2 | I115 N121 | I115-S119 PolarHBondContact O-N 3Å; I115-S119 VanDerWaalsContact O-N 3.13Å; S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.04Å |
| 120 | Q | 37.8 | Very low | 38.6 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -11.8 | 177.3 | -81.5 | -172.2 | -11.2 | 0 | 0 | 114.3 | L118 | L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.25Å |
| 121 | N | 34.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 3.8 | -176.5 | -82.1 | -59.8 | 0 | 0 | 0 | 114.9 | T117 L118 S119 | T117-N121 PolarHBondContact O-ND2 2.87Å; L118-N121 PolarHBondContact O-N 2.86Å; S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.04Å |
| 122 | R | 32.6 | Very low | 36.4 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -100.7 | 2.5 | -177.1 | -98.2 | -167.1 | -179 | 174.6 | 2.4 | 117.3 | | |
| 123 | E | 33.3 | Very low | 35.3 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -117.8 | 11.9 | -172.6 | -129.2 | 173.2 | -172.5 | 0 | 0 | 116.7 | | |
| 124 | L | 33.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | | | trans | -121.2 | 38 | 174.9 | -64 | 175.8 | 0 | 0 | 0 | 113.4 | L126 | L124-L126 PolarHBondContact O-N 3.09Š|
| 125 | Q | 29.6 | Very low | 33.6 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | | | trans | -73 | 84 | 155.4 | -82.5 | -172.7 | -7.3 | 0 | 0 | 108.2 | V127 | Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 2.82Å |
| 126 | L | 28.8 | Very low | 32.8 | Very low | 135 Ų | 135 | 150 Ų | 150 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | | | trans | -62.7 | 92.8 | 168.7 | -163.8 | 75.7 | 0 | 0 | 0 | 107.7 | L124 Y128 | L124-L126 PolarHBondContact O-N 3.09Å; L126-Y128 WeakPolarHBondContact O-CD2 3.09Å; L126-Y128 PolarHBondContact O-N 3.13Å; L126-Y128 VanDerWaalsContact O-N 3.15Å |
| 127 | V | 30.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 62% | 0.618 | 76% | 0.76 | S | S | * | * | | | trans | -68.8 | 108 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | Q125 H129 | Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 2.82Å; V127-H129 PolarHBondContact O-N 2.93Å |
| 128 | Y | 29.1 | Very low | 31.3 | Very low | 201 Ų | 201 | 155.5 Ų | 155.5 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | | | trans | -64.3 | 96 | 172.3 | -71.6 | -94 | 0 | 0 | 0 | 109.3 | L126 T130 | L126-Y128 WeakPolarHBondContact O-CD2 3.09Å; L126-Y128 PolarHBondContact O-N 3.13Å; L126-Y128 VanDerWaalsContact O-N 3.15Å; Y128-T130 PolarHBondContact O-N 3.31Å |
| 129 | H | 30.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 156.9 Ų | 156.9 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -79.3 | 93.1 | 163.3 | -77.9 | -76.8 | 0 | 0 | 0 | 108.6 | V127 E131 | V127-H129 PolarHBondContact O-N 2.93Å; H129-E131 PolarHBondContact O-N 3.05Å; H129-E131 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 26.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 159.3 Ų | 159.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | -67.8 | 90.4 | 162.6 | 30 | 0 | 0 | 0 | 0 | 109.1 | Y128 | Y128-T130 PolarHBondContact O-N 3.31Š|
| 131 | E | 33 | Very low | 29.4 | Very low | 176 Ų | 176 | 159 Ų | 159 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -104.9 | 133.9 | 165.2 | -73.7 | -169.8 | 169.8 | 0 | 0 | 110.6 | H129 | H129-E131 PolarHBondContact O-N 3.05Å; H129-E131 VanDerWaalsContact O-N 3.11Å |
| 132 | K | 27.1 | Very low | 28.9 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -66.8 | 146.7 | -171.4 | -124.6 | 174 | 174.4 | -175.6 | 0 | 111.5 | | |
| 133 | P | 29.6 | Very low | 28.6 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -93.6 | 103.8 | 179.4 | 34.1 | -26.3 | 0 | 0 | 0 | 110.5 | | |
| 134 | D | 30.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -120.8 | 98.4 | 169.7 | -76.8 | -41.2 | 0 | 0 | 0 | 110.5 | | |
| 135 | F | 26.5 | Very low | 28.1 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | trans | 19.8 | 101.8 | 145 | -69.2 | -92.9 | 0 | 0 | 0 | 118.8 | | |
| 136 | L | 31.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | -145.2 | 78 | 143.6 | -80.2 | -176.6 | 0 | 0 | 0 | 109.6 | N138 | L136-N138 PolarHBondContact O-N 3.18Š|
| 137 | E | 24.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 83.7 | 168.3 | -170.4 | 173.8 | -168.7 | 0 | 0 | 108.6 | | |
| 138 | N | 28.5 | Very low | 28.2 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -111.3 | 97.1 | 167.8 | -83.3 | -23.2 | 0 | 0 | 0 | 109.3 | L136 | L136-N138 PolarHBondContact O-N 3.18Š|
| 139 | H | 22.8 | Very low | 28.2 | Very low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | | | trans | 41.9 | 119.3 | 133.1 | -88 | -87.9 | 0 | 0 | 0 | 119.7 | | |
| 140 | L | 24.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | 56.1 | 94.2 | 128.8 | -63.9 | 172 | 0 | 0 | 0 | 117 | | |
| 141 | L | 29.2 | Very low | 28.5 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | | -179.3 | 113.3 | 110.9 | -115.1 | 67.3 | 0 | 0 | 0 | 110 | | |
| 142 | S | 25 | Very low | 28.5 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 48.1 | 82.6 | 150.4 | -55.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 143 | S | 24.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -18.5 | 141.1 | 155.8 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 144 | T | 28.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | 77.9 | 58.3 | 139 | 52.6 | 0 | 0 | 0 | 0 | 118.5 | K146 | T144-K146 PolarHBondContact O-N 2.82Š|
| 145 | K | 29.2 | Very low | 29.3 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | -44.3 | 116.7 | 144.3 | -156.7 | 174.4 | -172.1 | 176.9 | 0 | 111.2 | | |
| 146 | K | 31.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | | | trans | 31.2 | 103.9 | 148.6 | -62.9 | -179.1 | 178.3 | -177.8 | 0 | 116.2 | T144 P148 | T144-K146 PolarHBondContact O-N 2.82Å; K146-P148 WeakPolarHBondContact O-CD 3.33Å; K146-P148 VanDerWaalsContact O-N 3.16Å |
| 147 | N | 27.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -55.2 | 111.8 | 166.4 | -163.8 | -18.1 | 0 | 0 | 0 | 110.1 | N149 | N147-N149 PolarHBondContact O-N 2.91Å; N147-N149 PolarHBondContact OD1-N 3.09Å |
| 148 | P | 33.5 | Very low | 31.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 1.4 | -177.7 | -9.8 | 27.6 | 0 | 0 | 0 | 113.9 | K146 | K146-P148 WeakPolarHBondContact O-CD 3.33Å; K146-P148 VanDerWaalsContact O-N 3.16Å |
| 149 | N | 27.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 18 | -168.6 | -73.7 | -11.2 | 0 | 0 | 0 | 115.7 | N147 F151 | N147-N149 PolarHBondContact O-N 2.91Å; N147-N149 PolarHBondContact OD1-N 3.09Å; N149-F151 PolarHBondContact O-N 3.23Å |
| 150 | S | 30.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | -90.5 | 46.8 | 170 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 151 | F | 32.7 | Very low | 34.8 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | -116.8 | 56.6 | 161.5 | -78 | -78 | 0 | 0 | 0 | 108.4 | N149 P153 | N149-F151 PolarHBondContact O-N 3.23Å; F151-P153 VanDerWaalsContact O-CD 3.25Å; F151-P153 WeakPolarHBondContact O-CD 3.06Å |
| 152 | I | 32.9 | Very low | 36.5 | Very low | 152 Ų | 152 | 128 Ų | 128 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -85.3 | 107.3 | 157.5 | -59.1 | 179.2 | 0 | 0 | 0 | 104.7 | S154 | I152-S154 PolarHBondContact O-N 3.27Š|
| 153 | P | 32 | Very low | 38.2 | Very low | 104 Ų | 104 | 125 Ų | 125 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | -56.4 | 129.9 | 178.7 | 23.1 | -31.3 | 0 | 0 | 0 | 108.1 | F151 | F151-P153 VanDerWaalsContact O-CD 3.25Å; F151-P153 WeakPolarHBondContact O-CD 3.06Å |
| 154 | S | 31.5 | Very low | 40 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -42.8 | 128.7 | 171 | -161.7 | 0 | 0 | 0 | 0 | 108.1 | I152 V156 | I152-S154 PolarHBondContact O-N 3.27Å; S154-V156 PolarHBondContact O-N 3.28Å |
| 155 | P | 41.1 | Very low | 41.9 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | | | trans | -52.4 | 114.4 | -174.2 | 20.9 | -31.6 | 0 | 0 | 0 | 107 | T157 | P155-T157 PolarHBondContact O-N 3.35Š|
| 156 | V | 35.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 70% | 0.703 | 70% | 0.695 | S | S | * | * | | | trans | -45.5 | 111.7 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 104.9 | S154 T158 | S154-V156 PolarHBondContact O-N 3.28Å; V156-T158 HydrophobicContact CG1-CG2 4.32Å; V156-T158 PolarHBondContact O-N 3.01Å |
| 157 | T | 41.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | | | trans | -58 | 84.2 | 169 | 35.2 | 0 | 0 | 0 | 0 | 105.5 | P155 T159 | P155-T157 PolarHBondContact O-N 3.35Å; T157-T159 VanDerWaalsContact C-N 3.26Å; T157-T159 PolarHBondContact O-N 3.2Å |
| 158 | T | 46.9 | Very low | 47.1 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | | | trans | -65.7 | 103.6 | 167.6 | 42.4 | 0 | 0 | 0 | 0 | 103.5 | V156 L160 | V156-T158 HydrophobicContact CG1-CG2 4.32Å; V156-T158 PolarHBondContact O-N 3.01Å; T158-L160 PolarHBondContact O-N 2.95Å |
| 159 | T | 46.8 | Very low | 48.6 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | | | trans | -61.6 | 29 | 171.9 | 39.1 | 0 | 0 | 0 | 0 | 112.2 | T157 S161 | T157-T159 VanDerWaalsContact C-N 3.26Å; T157-T159 PolarHBondContact O-N 3.2Å; T159-S161 PolarHBondContact O-N 3.44Å |
| 160 | L | 50 | Low | 50.5 | Low | 145 Ų | 145 | 127.4 Ų | 127.4 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | | | trans | -69.8 | 85.5 | 163.4 | -65.8 | 174.5 | 0 | 0 | 0 | 105.3 | T158 S162 | T158-L160 PolarHBondContact O-N 2.95Å; L160-S162 PolarHBondContact O-N 3.13Å |
| 161 | S | 54.2 | Low | 52.6 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | | | trans | -43.7 | 115.7 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 106.8 | T159 | T159-S161 PolarHBondContact O-N 3.44Š|
| 162 | S | 63.1 | Low | 54.5 | Low | 66 Ų | 66 | 126.7 Ų | 126.7 | 46% | 0.462 | 69% | 0.687 | S | S | . | * | | | trans | -50 | 134.5 | 173.3 | -83.7 | 0 | 0 | 0 | 0 | 107.1 | L160 W164 | L160-S162 PolarHBondContact O-N 3.13Å; S162-W164 PolarHBondContact O-N 3.42Å; S162-W164 VanDerWaalsContact O-N 3.09Å |
| 163 | P | 61.2 | Low | 56.4 | Low | 56 Ų | 56 | 124.9 Ų | 124.9 | 36% | 0.364 | 69% | 0.685 | S | S | . | * | | | trans | -49.1 | 126.5 | -174.5 | -27.9 | 32.8 | 0 | 0 | 0 | 109.7 | Y165 R166 | P163-Y165 HydrophobicContact CB-CD1 3.42Å; P163-Y165 VanDerWaalsContact CB-CD1 3.42Å; P163-Y165 HydrophobicContact CB-CE1 3.08Å; P163-Y165 HydrophobicContact CB-CE2 4.45Å; P163-Y165 HydrophobicContact CB-CG 4.26Å; P163-Y165 HydrophobicContact CG-CE1 3.88Å; P163-Y165 PolarHBondContact O-N 3.14Å; P163-R166 WeakPolarHBondContact O-CB 3.5Å; P163-R166 PolarHBondContact O-N 3.46Å |
| 164 | W | 62.5 | Low | 58.3 | Low | 198 Ų | 198 | 125 Ų | 125 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -49 | -30.8 | -172.2 | 59 | -91.7 | 0 | 0 | 0 | 112.9 | S162 R166 H167 C168 | S162-W164 PolarHBondContact O-N 3.42Å; S162-W164 VanDerWaalsContact O-N 3.09Å; W164-R166 PolarHBondContact O-N 3.38Å; W164-H167 PolarHBondContact O-N 3.13Å; W164-C168 PolarHBondContact O-N 3.06Å; W164-C168 PolarHBondContact O-SG 2.81Å |
| 165 | Y | 68.7 | Low | 59.8 | Low | 126 Ų | 126 | 125.8 Ų | 125.8 | 49% | 0.494 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -62.6 | -20.5 | 176.9 | 71.8 | -105.5 | 0 | 0 | 0 | 114.6 | P163 H167 | P163-Y165 HydrophobicContact CB-CD1 3.42Å; P163-Y165 VanDerWaalsContact CB-CD1 3.42Å; P163-Y165 HydrophobicContact CB-CE1 3.08Å; P163-Y165 HydrophobicContact CB-CE2 4.45Å; P163-Y165 HydrophobicContact CB-CG 4.26Å; P163-Y165 HydrophobicContact CG-CE1 3.88Å; P163-Y165 PolarHBondContact O-N 3.14Å; Y165-H167 VanDerWaalsContact C-N 3.34Å |
| 166 | R | 64.4 | Low | 60.7 | Low | 172 Ų | 172 | 128.2 Ų | 128.2 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -72 | -30.7 | 173.7 | -74.5 | -161 | 173.3 | -151 | 0.9 | 112.2 | P163 W164 | P163-R166 WeakPolarHBondContact O-CB 3.5Å; P163-R166 PolarHBondContact O-N 3.46Å; W164-R166 PolarHBondContact O-N 3.38Å |
| 167 | H | 66.2 | Low | 61.8 | Low | 147 Ų | 147 | 128 Ų | 128 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -19.8 | 178.4 | -57.8 | -63.7 | 0 | 0 | 0 | 112.3 | W164 Y165 | W164-H167 PolarHBondContact O-N 3.13Å; Y165-H167 VanDerWaalsContact C-N 3.34Å |
| 168 | C | 65.6 | Low | 62 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 57% | 0.568 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 15 | -179 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | W164 P170 | W164-C168 PolarHBondContact O-N 3.06Å; W164-C168 PolarHBondContact O-SG 2.81Å; C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.42Å |
| 169 | R | 65.4 | Low | 61.8 | Low | 200 Ų | 200 | 130.1 Ų | 130.1 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 119.8 | 173.8 | -79.9 | -168.1 | 177.1 | -172.8 | -0.8 | 109.3 | K171 | R169-K171 PolarHBondContact O-N 3.44Š|
| 170 | P | 68.7 | Low | 61.6 | Low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 131.1 | 170.6 | -20.1 | 31.5 | 0 | 0 | 0 | 108.7 | C168 A172 | C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-A172 PolarHBondContact O-N 2.67Å |
| 171 | K | 74.5 | Confident | 61 | Low | 206 Ų | 206 | 128.4 Ų | 128.4 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 128.8 | 170.6 | -121.3 | 169.2 | 179.4 | 175.2 | 0 | 107.2 | R169 | R169-K171 PolarHBondContact O-N 3.44Š|
| 172 | A | 70.9 | Confident | 60 | Low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 141.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P170 | P170-A172 PolarHBondContact O-N 2.67Š|
| 173 | P | 74.2 | Confident | 58.7 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 142.2 | 174.4 | -20 | 30.4 | 0 | 0 | 0 | 110.1 | | |
| 174 | P | 71.3 | Confident | 57.2 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 142.3 | 169.9 | -21 | 31.1 | 0 | 0 | 0 | 110.1 | I176 | P174-I176 PolarHBondContact O-N 2.89Å; P174-I176 VanDerWaalsContact O-N 3.15Å |
| 175 | P | 63.7 | Low | 55.9 | Low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.9 | 173.3 | 24.7 | -32.1 | 0 | 0 | 0 | 108.9 | V177 | P175-V177 PolarHBondContact O-N 3.06Š|
| 176 | I | 58.8 | Low | 54 | Low | 166 Ų | 166 | 137.8 Ų | 137.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -71.5 | 103.5 | 173.1 | -56.6 | 170.4 | 0 | 0 | 0 | 105.9 | P174 A178 | P174-I176 PolarHBondContact O-N 2.89Å; P174-I176 VanDerWaalsContact O-N 3.15Å; I176-A178 PolarHBondContact O-N 2.97Å |
| 177 | V | 58.8 | Low | 52.1 | Low | 111 Ų | 111 | 135.5 Ų | 135.5 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | | | trans | -69.6 | 112 | 163.5 | -173.8 | 0 | 0 | 0 | 0 | 105.2 | P175 F179 | P175-V177 PolarHBondContact O-N 3.06Å; V177-F179 PolarHBondContact O-N 2.81Å |
| 178 | A | 45.1 | Very low | 50.4 | Low | 78 Ų | 78 | 133.9 Ų | 133.9 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | trans | -60.1 | 105.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | I176 S180 | I176-A178 PolarHBondContact O-N 2.97Å; A178-S180 PolarHBondContact O-N 3.34Å |
| 179 | F | 43.5 | Very low | 48.6 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -56.8 | 109.3 | 163.6 | -70.7 | -82 | 0 | 0 | 0 | 105.6 | V177 T181 | V177-F179 PolarHBondContact O-N 2.81Å; F179-T181 PolarHBondContact O-N 3.48Å |
| 180 | S | 43.2 | Very low | 47 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -59.8 | 105 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 106.4 | A178 E182 | A178-S180 PolarHBondContact O-N 3.34Å; S180-E182 PolarHBondContact O-N 2.81Å; S180-E182 VanDerWaalsContact O-N 3.13Å |
| 181 | T | 36.1 | Very low | 45.2 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | | | trans | -53.6 | 121.8 | -179.8 | -39.8 | 0 | 0 | 0 | 0 | 108 | F179 N183 | F179-T181 PolarHBondContact O-N 3.48Å; T181-N183 PolarHBondContact O-N 2.89Å |
| 182 | E | 33.9 | Very low | 43 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -54.2 | 90.3 | -175.5 | -63.2 | 161.7 | 144.8 | 0 | 0 | 110.6 | S180 S184 | S180-E182 PolarHBondContact O-N 2.81Å; S180-E182 VanDerWaalsContact O-N 3.13Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 2.77Å |
| 183 | N | 36.4 | Very low | 41.1 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -84.5 | 91.5 | 158.1 | -82.4 | -3 | 0 | 0 | 0 | 107.1 | T181 A185 | T181-N183 PolarHBondContact O-N 2.89Å; N183-A185 PolarHBondContact O-N 3.1Å |
| 184 | S | 28.9 | Very low | 39 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -16.2 | 88.4 | 159.6 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | E182 | E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 2.77Å |
| 185 | A | 35.6 | Very low | 37.1 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 99 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | N183 C187 | N183-A185 PolarHBondContact O-N 3.1Å; A185-C187 PolarHBondContact O-N 3.08Å |
| 186 | K | 27.8 | Very low | 35.5 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -10.2 | 117 | 168.4 | -86.3 | 167.2 | 166.9 | 175 | 0 | 114.5 | C188 | K186-C188 PolarHBondContact O-N 2.91Š|
| 187 | C | 25.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -56.4 | 106.8 | 162 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | A185 E189 | A185-C187 PolarHBondContact O-N 3.08Å; C187-E189 PolarHBondContact O-N 2.84Å |
| 188 | C | 30.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | | | trans | -76.3 | 104.6 | 160.4 | -67.9 | 0 | 0 | 0 | 0 | 106.5 | K186 N190 | K186-C188 PolarHBondContact O-N 2.91Å; C188-N190 VanDerWaalsContact C-N 3.27Å; C188-N190 PolarHBondContact O-N 2.77Å |
| 189 | E | 28.1 | Very low | 31.6 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | trans | -60.7 | 87.3 | 164.5 | -68.8 | 178.1 | 145.6 | 0 | 0 | 109 | C187 | C187-E189 PolarHBondContact O-N 2.84Š|
| 190 | N | 31.2 | Very low | 30.8 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | | | trans | -112.7 | 86 | 165 | -88.1 | 29.5 | 0 | 0 | 0 | 108.1 | C188 | C188-N190 VanDerWaalsContact C-N 3.27Å; C188-N190 PolarHBondContact O-N 2.77Å |
| 191 | E | 31.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | | 40.4 | 107.2 | 128.8 | -141.2 | 168.9 | -164.3 | 0 | 0 | 116.5 | R193 | E191-R193 PolarHBondContact O-N 2.67Š|
| 192 | S | 27.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | -33.8 | 108.1 | 161.4 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 193 | R | 30.5 | Very low | 29.8 | Very low | 237 Ų | 237 | 153.7 Ų | 153.7 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | | | trans | -95.5 | 107.9 | 160 | -75.6 | -166.3 | -179.1 | -175.1 | 0.9 | 108 | E191 | E191-R193 PolarHBondContact O-N 2.67Š|
| 194 | D | 29.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | | | trans | -51.8 | 138.4 | 177.2 | -60.6 | -52.6 | 0 | 0 | 0 | 111.4 | E196 | D194-E196 PolarHBondContact O-N 2.92Å; D194-E196 VanDerWaalsContact O-N 3.09Å |
| 195 | F | 31.4 | Very low | 29.3 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 91% | 0.908 | 82% | 0.821 | S | S | * | * | | | trans | -67.3 | 102.3 | 174.3 | -73.5 | -97.7 | 0 | 0 | 0 | 108.7 | L197 | F195-L197 PolarHBondContact O-N 3.3Å; F195-L197 VanDerWaalsContact O-N 3.17Å |
| 196 | E | 30.8 | Very low | 28.9 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -72.6 | 108 | 173 | -133.9 | 171.3 | -171.4 | 0 | 0 | 108.8 | D194 C198 | D194-E196 PolarHBondContact O-N 2.92Å; D194-E196 VanDerWaalsContact O-N 3.09Å; E196-C198 PolarHBondContact O-N 3.33Å; E196-C198 VanDerWaalsContact O-N 3.16Å |
| 197 | L | 25.7 | Very low | 29 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | | | trans | -68.7 | 100.6 | 176.6 | -143.7 | 92.8 | 0 | 0 | 0 | 107.8 | F195 E199 | F195-L197 PolarHBondContact O-N 3.3Å; F195-L197 VanDerWaalsContact O-N 3.17Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.28Å |
| 198 | C | 28.4 | Very low | 29.2 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 90% | 0.899 | 82% | 0.824 | S | S | * | * | | | trans | -72 | 91.7 | 171.6 | -77.8 | 0 | 0 | 0 | 0 | 109.7 | E196 | E196-C198 PolarHBondContact O-N 3.33Å; E196-C198 VanDerWaalsContact O-N 3.16Å |
| 199 | E | 26.8 | Very low | 29.1 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -80.7 | 130.3 | 167.3 | -148.3 | 176.2 | -165 | 0 | 0 | 109 | L197 | L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.28Å |
| 200 | G | 27.3 | Very low | 29 | Very low | 74 Ų | 74 | 155.3 Ų | 155.3 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | 117.9 | 139.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 201 | S | 28.5 | Very low | 29 | Very low | 101 Ų | 101 | 157.4 Ų | 157.4 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | | | cis | -161.4 | 131.8 | 15.1 | 169.9 | 0 | 0 | 0 | 0 | 107.2 | R203 | S201-R203 PolarHBondContact O-N 3.31Š|
| 202 | D | 29.3 | Very low | 28.8 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | | | trans | -55.4 | 102 | 169.1 | -70.8 | -51.5 | 0 | 0 | 0 | 111.1 | | |
| 203 | R | 33 | Very low | 28.7 | Very low | 222 Ų | 222 | 157.4 Ų | 157.4 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | trans | -144.1 | 102.3 | 159.9 | -74.9 | -163.1 | 177.5 | -139 | -1.7 | 111 | S201 | S201-R203 PolarHBondContact O-N 3.31Š|
| 204 | S | 27.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 154 Ų | 154 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | 34.1 | 120.7 | 136.8 | 70.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 205 | G | 28.2 | Very low | 28.7 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 110.3 | 98 | 148.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D207 | G205-D207 PolarHBondContact O-N 3.41Š|
| 206 | N | 26.2 | Very low | 28.7 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | 18.4 | 90.3 | 138.6 | -58.9 | -15 | 0 | 0 | 0 | 114.5 | | |
| 207 | D | 31.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | | -165 | 142.8 | 118 | -85.1 | -31 | 0 | 0 | 0 | 106.7 | G205 Q209 | G205-D207 PolarHBondContact O-N 3.41Å; D207-Q209 PolarHBondContact O-N 3.13Å |
| 208 | H | 29.5 | Very low | 28.8 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -60.9 | 86.5 | 171.8 | -72.6 | -71.2 | 0 | 0 | 0 | 108.3 | E210 | H208-E210 PolarHBondContact O-N 3.36Š|
| 209 | Q | 28.4 | Very low | 28.8 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | trans | -70 | 85.1 | 160.9 | -166.6 | 111.2 | 52.8 | 0 | 0 | 105 | D207 F211 | D207-Q209 PolarHBondContact O-N 3.13Å; Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.08Å |
| 210 | E | 26.1 | Very low | 28.8 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -51 | 110.2 | 157 | -69.4 | -177.5 | 169.8 | 0 | 0 | 105.4 | H208 E212 | H208-E210 PolarHBondContact O-N 3.36Å; E210-E212 PolarHBondContact O-N 3.29Å |
| 211 | F | 29.8 | Very low | 28.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 86.5 | 160.6 | -79.8 | -94.6 | 0 | 0 | 0 | 105.3 | Q209 C213 | Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.08Å; F211-C213 PolarHBondContact O-N 3.26Å |
| 212 | E | 27.3 | Very low | 28.8 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -53.9 | 101.5 | 153.9 | -89.7 | -169.9 | 142.9 | 0 | 0 | 104.4 | E210 E214 | E210-E212 PolarHBondContact O-N 3.29Å; E212-E214 PolarHBondContact O-N 3.13Å |
| 213 | C | 26.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | trans | -58.3 | 96.5 | 162.9 | -69.6 | 0 | 0 | 0 | 0 | 104.6 | F211 N215 | F211-C213 PolarHBondContact O-N 3.26Å; C213-N215 PolarHBondContact O-N 2.92Å |
| 214 | E | 30.2 | Very low | 28.6 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -46.3 | 111.1 | 167.7 | -84.3 | -175.4 | 137.7 | 0 | 0 | 105.5 | E212 L216 | E212-E214 PolarHBondContact O-N 3.13Å; E214-L216 PolarHBondContact O-N 3.43Å |
| 215 | N | 29.9 | Very low | 28.5 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -57.8 | 95.5 | 175.6 | -90.3 | -68 | 0 | 0 | 0 | 106.8 | C213 L217 | C213-N215 PolarHBondContact O-N 2.92Å; N215-L217 PolarHBondContact O-N 3.15Å |
| 216 | L | 31.6 | Very low | 28.4 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -64.1 | 1.4 | 171.4 | -104.1 | 89.4 | 0 | 0 | 0 | 112.5 | E214 K218 | E214-L216 PolarHBondContact O-N 3.43Å; L216-K218 PolarHBondContact O-N 3.2Å; L216-K218 VanDerWaalsContact O-N 3.1Å |
| 217 | L | 30.9 | Very low | 28.4 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -85.4 | 66.4 | 166.7 | -69.6 | 158.8 | 0 | 0 | 0 | 109.2 | N215 P219 | N215-L217 PolarHBondContact O-N 3.15Å; L217-P219 WeakPolarHBondContact O-CD 3.19Å |
| 218 | K | 27.4 | Very low | 28.1 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -62.3 | 114 | 156.1 | -132.8 | 174.2 | -172.5 | 173 | 0 | 105.5 | L216 D220 | L216-K218 PolarHBondContact O-N 3.2Å; L216-K218 VanDerWaalsContact O-N 3.1Å; K218-D220 PolarHBondContact O-N 3.05Å |
| 219 | P | 28.1 | Very low | 27.9 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -68.7 | 107.7 | 172.9 | 27.5 | -29.6 | 0 | 0 | 0 | 106.5 | L217 | L217-P219 WeakPolarHBondContact O-CD 3.19Š|
| 220 | D | 27.2 | Very low | 28 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 125.8 | 169.7 | -94.4 | -27.4 | 0 | 0 | 0 | 108.1 | K218 C222 | K218-D220 PolarHBondContact O-N 3.05Å; D220-C222 PolarHBondContact O-N 3.23Å |
| 221 | P | 29.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -69.2 | 96.1 | -176.2 | 27 | -31.8 | 0 | 0 | 0 | 108.2 | L223 | P221-L223 PolarHBondContact O-N 3.13Š|
| 222 | C | 27 | Very low | 28.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -68.2 | 89.4 | 169.8 | -68.2 | 0 | 0 | 0 | 0 | 108.3 | D220 F224 | D220-C222 PolarHBondContact O-N 3.23Å; C222-F224 PolarHBondContact O-N 2.9Å |
| 223 | L | 28.2 | Very low | 28.5 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | -62.3 | 71.9 | 164.6 | -74.7 | 167.9 | 0 | 0 | 0 | 110 | P221 | P221-L223 PolarHBondContact O-N 3.13Š|
| 224 | F | 29.8 | Very low | 28.7 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | | | trans | -138.9 | 85.9 | 159.1 | -74.4 | -71 | 0 | 0 | 0 | 109.6 | C222 S226 | C222-F224 PolarHBondContact O-N 2.9Å; F224-S226 PolarHBondContact O-N 2.76Å |
| 225 | S | 25.2 | Very low | 28.8 | Very low | 130 Ų | 130 | 135 Ų | 135 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -65.6 | 63.9 | 151.9 | -168 | 0 | 0 | 0 | 0 | 108.8 | | |
| 226 | S | 27.1 | Very low | 28.9 | Very low | 79 Ų | 79 | 133 Ų | 133 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | trans | -106.4 | 100.3 | 152.8 | 63.7 | 0 | 0 | 0 | 0 | 104.5 | F224 C228 | F224-S226 PolarHBondContact O-N 2.76Å; S226-C228 PolarHBondContact O-N 2.86Å |
| 227 | V | 26.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | | | trans | -47.1 | 96.8 | 162 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | S229 | V227-S229 PolarHBondContact O-N 2.72Š|
| 228 | C | 25.1 | Very low | 29.4 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | trans | -58.7 | 101.4 | 164.6 | -89.7 | 0 | 0 | 0 | 0 | 104 | S226 Y230 | S226-C228 PolarHBondContact O-N 2.86Å; C228-Y230 HydrophobicContact CB-CE2 4.44Å; C228-Y230 VanDerWaalsContact O-CD2 3.3Å; C228-Y230 WeakPolarHBondContact O-CD2 3.47Å; C228-Y230 PolarHBondContact O-N 2.8Å |
| 229 | S | 25.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -61.9 | 93 | 167.9 | -66.2 | 0 | 0 | 0 | 0 | 104.6 | V227 S231 | V227-S229 PolarHBondContact O-N 2.72Å; S229-S231 PolarHBondContact O-N 3.1Å |
| 230 | Y | 28.9 | Very low | 30.6 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | trans | -58.5 | 97.5 | 166.8 | -74.2 | -86.6 | 0 | 0 | 0 | 105.3 | C228 A232 | C228-Y230 HydrophobicContact CB-CE2 4.44Å; C228-Y230 VanDerWaalsContact O-CD2 3.3Å; C228-Y230 WeakPolarHBondContact O-CD2 3.47Å; C228-Y230 PolarHBondContact O-N 2.8Å; Y230-A232 PolarHBondContact O-N 2.79Å |
| 231 | S | 30 | Very low | 31.1 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | | | trans | -57.2 | 114 | 164.6 | -175.2 | 0 | 0 | 0 | 0 | 104.6 | S229 R233 | S229-S231 PolarHBondContact O-N 3.1Å; S231-R233 PolarHBondContact O-N 2.93Å |
| 232 | A | 36.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -67.6 | 40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y230 C234 | Y230-A232 PolarHBondContact O-N 2.79Å; A232-C234 PolarHBondContact O-N 2.96Å |
| 233 | R | 28.6 | Very low | 32.4 | Very low | 220 Ų | 220 | 132.7 Ų | 132.7 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | trans | -69.6 | 78.6 | 156.8 | -81 | -172.9 | 173.9 | -172.4 | -0.8 | 106.2 | S231 P235 | S231-R233 PolarHBondContact O-N 2.93Å; R233-P235 VanDerWaalsContact O-N 3.14Å |
| 234 | C | 29.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | -43.2 | 123 | 157.7 | -81.5 | 0 | 0 | 0 | 0 | 106.9 | A232 S236 | A232-C234 PolarHBondContact O-N 2.96Å; C234-S236 PolarHBondContact O-N 3.2Å |
| 235 | P | 33.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -54.2 | 122.8 | 171.2 | 21 | -29.3 | 0 | 0 | 0 | 106.3 | R233 I237 | R233-P235 VanDerWaalsContact O-N 3.14Å; P235-I237 PolarHBondContact O-N 2.77Å |
| 236 | S | 31.5 | Very low | 34.4 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | trans | -56.2 | 104.6 | 178.4 | 59 | 0 | 0 | 0 | 0 | 106.8 | C234 Q238 | C234-S236 PolarHBondContact O-N 3.2Å; S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact O-N 2.66Å |
| 237 | I | 34.4 | Very low | 35.3 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -60.7 | 106.5 | 163.3 | -63.5 | 168.9 | 0 | 0 | 0 | 102.7 | P235 V239 | P235-I237 PolarHBondContact O-N 2.77Å; I237-V239 PolarHBondContact O-N 2.87Å |
| 238 | Q | 38.3 | Very low | 35.9 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -61.6 | 93.5 | 167.4 | -65.1 | -179.8 | 7.1 | 0 | 0 | 104 | S236 L240 | S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact O-N 2.66Å; Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 2.77Å |
| 239 | V | 40.9 | Very low | 36.8 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | trans | -59.4 | 105.7 | 168.8 | 175.7 | 0 | 0 | 0 | 0 | 103 | I237 E241 | I237-V239 PolarHBondContact O-N 2.87Å; V239-E241 HydrophobicContact CG1-CG 4.49Å; V239-E241 PolarHBondContact O-N 3.2Å |
| 240 | L | 39 | Very low | 37.7 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | | | trans | -56 | 90.3 | 163.2 | -87 | 139.3 | 0 | 0 | 0 | 105 | Q238 A242 | Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 2.77Å; L240-A242 PolarHBondContact O-N 3.41Å |
| 241 | E | 38.1 | Very low | 38.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | | | trans | -60.9 | 99.2 | 165.5 | -69.9 | -169.5 | 164.9 | 0 | 0 | 104.3 | V239 D243 | V239-E241 HydrophobicContact CG1-CG 4.49Å; V239-E241 PolarHBondContact O-N 3.2Å; E241-D243 PolarHBondContact O-N 3.34Å |
| 242 | A | 43.5 | Very low | 39 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | | | trans | -59 | 115.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | L240 L244 | L240-A242 PolarHBondContact O-N 3.41Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 2.98Å |
| 243 | D | 40.9 | Very low | 39.5 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | trans | -51.4 | 96.1 | 173.5 | -104.2 | -32.8 | 0 | 0 | 0 | 108.6 | E241 S245 | E241-D243 PolarHBondContact O-N 3.34Å; D243-S245 PolarHBondContact O-N 3.22Å |
| 244 | L | 43.7 | Very low | 40.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -84.3 | 16.3 | 173.6 | -73.8 | 172.2 | 0 | 0 | 0 | 111.1 | A242 Q246 | A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 2.98Å; L244-Q246 PolarHBondContact O-N 3.41Å |
| 245 | S | 40.3 | Very low | 40.8 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | trans | -75.4 | 53.5 | 164.8 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | D243 E247 | D243-S245 PolarHBondContact O-N 3.22Å; S245-E247 PolarHBondContact O-N 3.3Å; S245-E247 VanDerWaalsContact O-N 3.07Å |
| 246 | Q | 41.2 | Very low | 41.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | | | trans | -79.6 | 65.9 | 145.1 | -73.3 | -173 | 3.3 | 0 | 0 | 106.3 | L244 N248 | L244-Q246 PolarHBondContact O-N 3.41Å; Q246-N248 PolarHBondContact O-N 3.38Å; Q246-N248 VanDerWaalsContact O-N 3.11Å |
| 247 | E | 45.8 | Very low | 41.9 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | | | trans | -55.7 | 116.6 | 164.6 | 56 | -164.9 | 177.9 | 0 | 0 | 106.9 | S245 I249 | S245-E247 PolarHBondContact O-N 3.3Å; S245-E247 VanDerWaalsContact O-N 3.07Å; E247-I249 PolarHBondContact O-N 3.26Å |
| 248 | N | 39.4 | Very low | 42.2 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | trans | -10.2 | 88.5 | 164 | -168.3 | 30.3 | 0 | 0 | 0 | 112.1 | Q246 N250 | Q246-N248 PolarHBondContact O-N 3.38Å; Q246-N248 VanDerWaalsContact O-N 3.11Å; N248-N250 PolarHBondContact O-N 3.44Å |
| 249 | I | 44.2 | Very low | 42.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | -62.8 | 95.2 | 169.1 | -61.2 | 174 | 0 | 0 | 0 | 103.6 | E247 W251 | E247-I249 PolarHBondContact O-N 3.26Å; I249-W251 HydrophobicContact CG2-CD2 4.47Å; I249-W251 VanDerWaalsContact O-CD1 3.25Å; I249-W251 PolarHBondContact O-N 2.77Å |
| 250 | N | 42.7 | Very low | 42.2 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | -60.7 | 99.6 | 168.1 | -176.9 | 22.5 | 0 | 0 | 0 | 104.1 | N248 D252 | N248-N250 PolarHBondContact O-N 3.44Å; N250-D252 PolarHBondContact O-N 2.89Å |
| 251 | W | 43.2 | Very low | 42.2 | Very low | 207 Ų | 207 | 135 Ų | 135 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | | | trans | -62.1 | 94.2 | 171.2 | -66.4 | 93.6 | 0 | 0 | 0 | 105.4 | I249 S253 | I249-W251 HydrophobicContact CG2-CD2 4.47Å; I249-W251 VanDerWaalsContact O-CD1 3.25Å; I249-W251 PolarHBondContact O-N 2.77Å; W251-S253 VanDerWaalsContact C-N 3.35Å; W251-S253 PolarHBondContact O-N 2.84Å; W251-S253 PolarHBondContact O-OG 2.94Å |
| 252 | D | 43.4 | Very low | 42.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | | | trans | -56.6 | 106.3 | -178.8 | -158.8 | 22.3 | 0 | 0 | 0 | 105.7 | N250 N254 | N250-D252 PolarHBondContact O-N 2.89Å; D252-N254 PolarHBondContact O-N 2.73Å; D252-N254 PolarHBondContact OD1-ND2 2.78Å; D252-N254 PolarHBondContact OD2-ND2 3Å |
| 253 | S | 47.7 | Very low | 41.7 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 21.3 | -172.5 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | W251 Y255 | W251-S253 VanDerWaalsContact C-N 3.35Å; W251-S253 PolarHBondContact O-N 2.84Å; W251-S253 PolarHBondContact O-OG 2.94Å; S253-Y255 VanDerWaalsContact C-N 3.28Å |
| 254 | N | 43.9 | Very low | 41.5 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 12 | 177.4 | -67.9 | -34 | 0 | 0 | 0 | 112.7 | D252 P256 | D252-N254 PolarHBondContact O-N 2.73Å; D252-N254 PolarHBondContact OD1-ND2 2.78Å; D252-N254 PolarHBondContact OD2-ND2 3Å; N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.25Å |
| 255 | Y | 41.1 | Very low | 41 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -65.2 | 117.5 | 162.8 | -87.3 | -83.3 | 0 | 0 | 0 | 108 | S253 | S253-Y255 VanDerWaalsContact C-N 3.28Š|
| 256 | P | 44.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.1 | 176.8 | 23.2 | -31.3 | 0 | 0 | 0 | 107.7 | N254 | N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.25Å |
| 257 | P | 44.5 | Very low | 40.1 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 140.1 | 176.1 | 21 | -30.7 | 0 | 0 | 0 | 108.5 | | |
| 258 | P | 39.5 | Very low | 39.4 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52 | 141 | 179.8 | 21.7 | -31.9 | 0 | 0 | 0 | 108.9 | S260 | P258-S260 PolarHBondContact O-N 3.11Š|
| 259 | P | 42.1 | Very low | 39 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 117.2 | -175.3 | 17.4 | -29.5 | 0 | 0 | 0 | 108.7 | L261 | P259-L261 PolarHBondContact O-N 3.14Š|
| 260 | S | 37.6 | Very low | 38.5 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -52.7 | 108.8 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | P258 A262 | P258-S260 PolarHBondContact O-N 3.11Å; S260-A262 PolarHBondContact O-N 2.87Å |
| 261 | L | 38.5 | Very low | 37.9 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 119.1 | 173.8 | -85 | 155.7 | 0 | 0 | 0 | 106.5 | P259 | P259-L261 PolarHBondContact O-N 3.14Š|
| 262 | A | 37.4 | Very low | 37.4 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 132.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S260 P264 | S260-A262 PolarHBondContact O-N 2.87Å; A262-P264 VanDerWaalsContact O-N 3.15Å |
| 263 | P | 33.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.3 | -177.7 | 19.4 | -30.4 | 0 | 0 | 0 | 108.3 | S265 | P263-S265 PolarHBondContact O-N 3.46Š|
| 264 | P | 35.9 | Very low | 35.9 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -56.6 | 115.7 | -175.7 | 19.4 | -29.8 | 0 | 0 | 0 | 108.5 | A262 G266 | A262-P264 VanDerWaalsContact O-N 3.15Å; P264-G266 PolarHBondContact O-N 2.74Å |
| 265 | S | 33.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | -59.1 | 100.8 | 178.5 | 53 | 0 | 0 | 0 | 0 | 109.2 | P263 V267 | P263-S265 PolarHBondContact O-N 3.46Å; S265-V267 PolarHBondContact O-N 3.14Å |
| 266 | G | 29.7 | Very low | 35.1 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 49.8 | 20.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | P264 | P264-G266 PolarHBondContact O-N 2.74Š|
| 267 | V | 32.3 | Very low | 34.4 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -98.7 | 105.4 | 173.2 | -77.7 | 0 | 0 | 0 | 0 | 109.5 | S265 | S265-V267 PolarHBondContact O-N 3.14Š|
| 268 | S | 32.2 | Very low | 33.8 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -33.9 | 133.7 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | T270 | S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-OG1 3.26Å |
| 269 | L | 31.5 | Very low | 33.5 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | | | trans | -51.5 | 74.1 | 166.2 | -72.7 | 156.9 | 0 | 0 | 0 | 110.6 | L271 | L269-L271 PolarHBondContact O-N 2.77Š|
| 270 | T | 32.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | trans | -86.7 | 98.9 | 162.2 | -28.2 | 0 | 0 | 0 | 0 | 103.3 | S268 M272 | S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-OG1 3.26Å; T270-M272 HydrophobicContact CG2-CG 3.97Å; T270-M272 HydrophobicContact CG2-SD 3.94Å; T270-M272 PolarHBondContact O-N 3.47Å |
| 271 | L | 31.5 | Very low | 32.9 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -60.5 | 64.3 | 167.6 | -145.1 | 158 | 0 | 0 | 0 | 107.3 | L269 S273 | L269-L271 PolarHBondContact O-N 2.77Å; L271-S273 PolarHBondContact O-N 3.48Å |
| 272 | M | 31.6 | Very low | 32.5 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | | | trans | -78.9 | 89.1 | 173 | -85.2 | 156.7 | 72.3 | 0 | 0 | 104.6 | T270 R274 | T270-M272 HydrophobicContact CG2-CG 3.97Å; T270-M272 HydrophobicContact CG2-SD 3.94Å; T270-M272 PolarHBondContact O-N 3.47Å; M272-R274 VanDerWaalsContact C-N 3.25Å; M272-R274 PolarHBondContact O-N 3.24Å |
| 273 | S | 30 | Very low | 32.1 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | -23.5 | 89.5 | 153.5 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | L271 S275 | L271-S273 PolarHBondContact O-N 3.48Å; S273-S275 PolarHBondContact O-N 3.13Å; S273-S275 PolarHBondContact O-OG 3.29Å |
| 274 | R | 30.6 | Very low | 32.2 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | -74.6 | 86.2 | 164.5 | -85.4 | -171.2 | 175.9 | -159.5 | -0.2 | 105 | M272 Y276 | M272-R274 VanDerWaalsContact C-N 3.25Å; M272-R274 PolarHBondContact O-N 3.24Å; R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 WeakPolarHBondContact O-CD2 3.29Å; R274-Y276 PolarHBondContact O-N 3.1Å |
| 275 | S | 32.4 | Very low | 31.8 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -52.5 | 98.2 | 162.2 | -40 | 0 | 0 | 0 | 0 | 106.5 | S273 S277 | S273-S275 PolarHBondContact O-N 3.13Å; S273-S275 PolarHBondContact O-OG 3.29Å; S275-S277 PolarHBondContact O-N 2.98Å |
| 276 | Y | 34.7 | Very low | 31.8 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | -64.2 | 108.8 | 164.9 | -70.9 | -83.8 | 0 | 0 | 0 | 105.9 | R274 L278 | R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 WeakPolarHBondContact O-CD2 3.29Å; R274-Y276 PolarHBondContact O-N 3.1Å; Y276-L278 PolarHBondContact O-N 3.43Å |
| 277 | S | 31.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -63.1 | 103.2 | 171.4 | -57.4 | 0 | 0 | 0 | 0 | 107.7 | S275 | S275-S277 PolarHBondContact O-N 2.98Š|
| 278 | L | 31.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 137.1 | 168.2 | -137.4 | 76.7 | 0 | 0 | 0 | 107.7 | Y276 S280 | Y276-L278 PolarHBondContact O-N 3.43Å; L278-S280 PolarHBondContact O-N 3.04Å; L278-S280 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 33 | Very low | 31.9 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.3 | 176.8 | -19.9 | 30.5 | 0 | 0 | 0 | 109.1 | | |
| 280 | S | 30.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.7 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | L278 L282 | L278-S280 PolarHBondContact O-N 3.04Å; L278-S280 VanDerWaalsContact O-N 3.13Å; S280-L282 PolarHBondContact O-N 3.3Å |
| 281 | P | 36.1 | Very low | 31.5 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | trans | -63.1 | 114.6 | 178.5 | 24.8 | -30.6 | 0 | 0 | 0 | 108 | N283 | P281-N283 VanDerWaalsContact C-N 3.27Å; P281-N283 PolarHBondContact O-N 3.42Å |
| 282 | L | 31.5 | Very low | 31.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | -67.9 | 94.2 | 175.2 | -163.3 | 77.8 | 0 | 0 | 0 | 107.5 | S280 N284 | S280-L282 PolarHBondContact O-N 3.3Å; L282-N284 VanDerWaalsContact C-N 3.27Å; L282-N284 PolarHBondContact O-N 3.22Å |
| 283 | N | 28.9 | Very low | 31.5 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | -69.6 | 82.8 | 172.4 | 179.6 | 18.2 | 0 | 0 | 0 | 108.9 | P281 N285 | P281-N283 VanDerWaalsContact C-N 3.27Å; P281-N283 PolarHBondContact O-N 3.42Å; N283-N285 PolarHBondContact OD1-ND2 2.78Å |
| 284 | N | 34.7 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -105.7 | 81.6 | 163.9 | -70.3 | -7.8 | 0 | 0 | 0 | 107.4 | L282 T286 | L282-N284 VanDerWaalsContact C-N 3.27Å; L282-N284 PolarHBondContact O-N 3.22Å; N284-T286 PolarHBondContact O-N 2.9Å |
| 285 | N | 28.8 | Very low | 31.6 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -63.2 | 93.9 | 151 | -68.9 | -32.3 | 0 | 0 | 0 | 106.7 | N283 | N283-N285 PolarHBondContact OD1-ND2 2.78Š|
| 286 | T | 33 | Very low | 31.4 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -139.9 | 122.9 | 157.3 | -51 | 0 | 0 | 0 | 0 | 107.2 | N284 | N284-T286 PolarHBondContact O-N 2.9Š|
| 287 | D | 32.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -48.5 | 158.2 | -173.9 | -60.7 | -64.9 | 0 | 0 | 0 | 115.1 | | |
| 288 | E | 34.7 | Very low | 31.5 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | 80.8 | 101.6 | 160 | -59.3 | -170.5 | 163.5 | 0 | 0 | 119.1 | | |
| 289 | G | 28.8 | Very low | 31.6 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | | 69.6 | 90.3 | 110 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 290 | S | 29 | Very low | 31.9 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | 75.9 | 118.3 | 134.4 | 72.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 291 | N | 27.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 67 | 122.4 | 146.6 | -46.6 | -33 | 0 | 0 | 0 | 115.6 | | |
| 292 | I | 33 | Very low | 32.5 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | | -162.2 | 121.2 | 59.8 | -62.2 | 136.9 | 0 | 0 | 0 | 107 | S294 | I292-S294 PolarHBondContact O-N 2.79Å; I292-S294 VanDerWaalsContact O-N 3.15Å |
| 293 | L | 30.1 | Very low | 33 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 106.5 | 168.9 | -82.3 | 99.3 | 0 | 0 | 0 | 109.6 | | |
| 294 | S | 30.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -99.6 | 78 | 158.9 | -76.8 | 0 | 0 | 0 | 0 | 108.8 | I292 | I292-S294 PolarHBondContact O-N 2.79Å; I292-S294 VanDerWaalsContact O-N 3.15Å |
| 295 | G | 30.2 | Very low | 34 | Very low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | | | trans | -91.2 | 95.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V297 | G295-V297 PolarHBondContact O-N 2.8Å; G295-V297 VanDerWaalsContact O-N 3.11Å |
| 296 | T | 29.2 | Very low | 34.7 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -70.7 | 99 | 174.6 | -46 | 0 | 0 | 0 | 0 | 109.1 | A298 | T296-A298 PolarHBondContact O-N 3.01Š|
| 297 | V | 33.4 | Very low | 35.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116 | 174.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | G295 Y299 | G295-V297 PolarHBondContact O-N 2.8Å; G295-V297 VanDerWaalsContact O-N 3.11Å; V297-Y299 PolarHBondContact O-N 2.96Å |
| 298 | A | 34.1 | Very low | 35.6 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T296 | T296-A298 PolarHBondContact O-N 3.01Š|
| 299 | Y | 33.5 | Very low | 36.2 | Very low | 229 Ų | 229 | 139.4 Ų | 139.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.3 | 175.9 | -74.4 | -97.5 | 0 | 0 | 0 | 109.9 | V297 E301 | V297-Y299 PolarHBondContact O-N 2.96Å; Y299-E301 PolarHBondContact O-N 3.43Å |
| 300 | L | 38.4 | Very low | 36.9 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.6 | 166.8 | -95.5 | 156.5 | 0 | 0 | 0 | 108.7 | E302 | L300-E302 PolarHBondContact O-N 3.19Š|
| 301 | E | 38.7 | Very low | 37.8 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.2 | -179.7 | -166.6 | 167.2 | -175.8 | 0 | 0 | 111 | Y299 V303 | Y299-E301 PolarHBondContact O-N 3.43Å; E301-V303 PolarHBondContact O-N 2.96Å; E301-V303 VanDerWaalsContact O-N 3.1Å |
| 302 | E | 40.6 | Very low | 38.4 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -67.7 | 104.3 | 178.5 | -76.7 | 176.8 | 155.1 | 0 | 0 | 110.2 | L300 N304 | L300-E302 PolarHBondContact O-N 3.19Å; E302-N304 PolarHBondContact O-N 2.7Å |
| 303 | V | 43.1 | Very low | 38.6 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | | | trans | -65.1 | 100.5 | 173 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | E301 I305 | E301-V303 PolarHBondContact O-N 2.96Å; E301-V303 VanDerWaalsContact O-N 3.1Å; V303-I305 WeakPolarHBondContact O-CG1 3.3Å; V303-I305 PolarHBondContact O-N 3.12Å |
| 304 | N | 39.5 | Very low | 39.3 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -73.5 | 93 | -179.8 | -163 | -34.5 | 0 | 0 | 0 | 110.3 | E302 K306 | E302-N304 PolarHBondContact O-N 2.7Å; N304-K306 PolarHBondContact O-N 3.26Å |
| 305 | I | 44 | Very low | 39.7 | Very low | 151 Ų | 151 | 142 Ų | 142 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 102.4 | 179.1 | -26 | 173.2 | 0 | 0 | 0 | 108.2 | V303 | V303-I305 WeakPolarHBondContact O-CG1 3.3Å; V303-I305 PolarHBondContact O-N 3.12Å |
| 306 | K | 44.2 | Very low | 40.4 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.6 | 173.6 | -103.2 | 175.6 | 176.1 | 173.2 | 0 | 110.4 | N304 L308 | N304-K306 PolarHBondContact O-N 3.26Å; K306-L308 PolarHBondContact O-N 3.4Å |
| 307 | P | 43.9 | Very low | 40.9 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130 | 176.9 | 24.4 | -31.1 | 0 | 0 | 0 | 110.4 | A309 | P307-A309 PolarHBondContact O-N 2.93Š|
| 308 | L | 41.8 | Very low | 41 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.9 | 175.4 | -69.9 | 162.4 | 0 | 0 | 0 | 109.7 | K306 | K306-L308 PolarHBondContact O-N 3.4Š|
| 309 | A | 46.3 | Very low | 41.1 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | P307 I311 | P307-A309 PolarHBondContact O-N 2.93Å; A309-I311 PolarHBondContact O-N 2.87Å |
| 310 | P | 43.1 | Very low | 41.6 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.9 | 179.9 | 22.9 | -31 | 0 | 0 | 0 | 110.8 | T312 | P310-T312 PolarHBondContact O-N 2.81Š|
| 311 | I | 48.3 | Very low | 41.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -71 | 111.4 | 178.8 | -59.7 | 170.1 | 0 | 0 | 0 | 108.1 | A309 | A309-I311 PolarHBondContact O-N 2.87Š|
| 312 | T | 40.3 | Very low | 42.1 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -92.5 | 12.3 | -172.6 | 54.7 | 0 | 0 | 0 | 0 | 115.5 | P310 | P310-T312 PolarHBondContact O-N 2.81Š|
| 313 | N | 37.8 | Very low | 42.3 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | -119.4 | 34.3 | -168 | -70.5 | -12.7 | 0 | 0 | 0 | 115.3 | L315 | N313-L315 PolarHBondContact O-N 2.76Š|
| 314 | I | 45 | Very low | 42.1 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -90.1 | 91.7 | 170 | -49.7 | 177.4 | 0 | 0 | 0 | 107.9 | | |
| 315 | L | 38.8 | Very low | 42.4 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | -64.7 | 127.2 | 169.2 | -71.7 | 167.7 | 0 | 0 | 0 | 108.4 | N313 N317 | N313-L315 PolarHBondContact O-N 2.76Å; L315-N317 PolarHBondContact O-N 2.74Å |
| 316 | P | 44.9 | Very low | 42.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -71 | 94.9 | 178.6 | 27.6 | -32 | 0 | 0 | 0 | 108.6 | G318 | P316-G318 PolarHBondContact O-N 2.86Å; P316-G318 VanDerWaalsContact O-N 3.08Å |
| 317 | N | 39.1 | Very low | 42.8 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -58.2 | 117.3 | 166 | -79.9 | -31.1 | 0 | 0 | 0 | 107.2 | L315 G319 | L315-N317 PolarHBondContact O-N 2.74Å; N317-G319 PolarHBondContact O-N 2.85Å |
| 318 | G | 35.8 | Very low | 43 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | | | trans | -65.4 | 64 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P316 S320 | P316-G318 PolarHBondContact O-N 2.86Å; P316-G318 VanDerWaalsContact O-N 3.08Å; G318-S320 PolarHBondContact O-N 3.16Å |
| 319 | G | 36.3 | Very low | 43.1 | Very low | 50 Ų | 50 | 134.2 Ų | 134.2 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | | | trans | -65.7 | 119.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | N317 F321 | N317-G319 PolarHBondContact O-N 2.85Å; G319-F321 PolarHBondContact O-N 3.13Å |
| 320 | S | 43.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | -52.5 | 115.2 | 169.2 | 45.8 | 0 | 0 | 0 | 0 | 108.7 | G318 I322 | G318-S320 PolarHBondContact O-N 3.16Å; S320-I322 PolarHBondContact O-N 3.13Å |
| 321 | F | 45.5 | Very low | 42.6 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -67.1 | 83.2 | 177.3 | -64.2 | -86.7 | 0 | 0 | 0 | 109.2 | G319 R323 | G319-F321 PolarHBondContact O-N 3.13Å; F321-R323 PolarHBondContact O-N 3.43Å |
| 322 | I | 42.4 | Very low | 42 | Very low | 134 Ų | 134 | 133 Ų | 133 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | | | trans | -72.4 | 89.6 | 168.9 | -58.1 | 172.9 | 0 | 0 | 0 | 105.8 | S320 R324 | S320-I322 PolarHBondContact O-N 3.13Å; I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 HydrophobicContact CG2-CG 4.37Å; I322-R324 PolarHBondContact O-N 3.35Å |
| 323 | R | 45 | Very low | 41.8 | Very low | 209 Ų | 209 | 132.5 Ų | 132.5 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | | | trans | -58.6 | 99.2 | 165.7 | -88.9 | -172.6 | 173.2 | -176 | -1 | 107.8 | F321 H325 | F321-R323 PolarHBondContact O-N 3.43Å; R323-H325 PolarHBondContact O-CD2 2.86Å; R323-H325 PolarHBondContact O-N 3.05Å |
| 324 | R | 39.8 | Very low | 41.7 | Very low | 234 Ų | 234 | 130.4 Ų | 130.4 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | | | trans | -72.1 | 98.3 | 166.4 | -70 | -173.3 | 172 | -176.9 | -1.3 | 107.1 | I322 | I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 HydrophobicContact CG2-CG 4.37Å; I322-R324 PolarHBondContact O-N 3.35Å |
| 325 | H | 45.6 | Very low | 41.1 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 55% | 0.546 | 72% | 0.716 | S | S | . | * | | | trans | -62.4 | 140 | 172.4 | -77.4 | -89.9 | 0 | 0 | 0 | 109.5 | R323 K327 A329 | R323-H325 PolarHBondContact O-CD2 2.86Å; R323-H325 PolarHBondContact O-N 3.05Å; H325-K327 PolarHBondContact O-N 2.81Å; H325-A329 HydrophobicContact CB-CB 4.32Å |
| 326 | P | 43 | Very low | 40.9 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 40% | 0.396 | 71% | 0.711 | S | S | . | * | | | trans | -54.5 | 141.8 | 173.4 | -20.6 | 30 | 0 | 0 | 0 | 110.1 | W328 A329 | P326-W328 HydrophobicContact CB-CD2 4.06Å; P326-W328 HydrophobicContact CB-CG 4.28Å; P326-W328 HydrophobicContact CB-CZ2 3.88Å; P326-W328 HydrophobicContact CG-CZ2 3.93Å; P326-W328 PolarHBondContact O-N 2.91Å; P326-A329 WeakPolarHBondContact O-CB 3.42Å; P326-A329 PolarHBondContact O-N 2.81Å |
| 327 | K | 53.9 | Low | 40.4 | Very low | 220 Ų | 220 | 131 Ų | 131 | 96% | 0.957 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -21.4 | -177.3 | -83.2 | -177 | 167.8 | 180 | 0 | 115.1 | H325 | H325-K327 PolarHBondContact O-N 2.81Š|
| 328 | W | 46.8 | Very low | 40 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -8.8 | 178.6 | 53.5 | -101.5 | 0 | 0 | 0 | 113.7 | P326 V330 | P326-W328 HydrophobicContact CB-CD2 4.06Å; P326-W328 HydrophobicContact CB-CG 4.28Å; P326-W328 HydrophobicContact CB-CZ2 3.88Å; P326-W328 HydrophobicContact CG-CZ2 3.93Å; P326-W328 PolarHBondContact O-N 2.91Å; W328-V330 PolarHBondContact O-N 2.86Å |
| 329 | A | 44 | Very low | 39.7 | Very low | 34 Ų | 34 | 134.7 Ų | 134.7 | 28% | 0.281 | 70% | 0.703 | S | S | . | * | | | trans | -75.1 | 74.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | H325 P326 S331 | H325-A329 HydrophobicContact CB-CB 4.32Å; P326-A329 WeakPolarHBondContact O-CB 3.42Å; P326-A329 PolarHBondContact O-N 2.81Å; A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 3.46Å |
| 330 | V | 37.6 | Very low | 39.4 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | | | trans | -63.8 | 104.1 | 163.2 | 179.6 | 0 | 0 | 0 | 0 | 105.2 | W328 C332 | W328-V330 PolarHBondContact O-N 2.86Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 3Å |
| 331 | S | 41 | Very low | 38.9 | Very low | 91 Ų | 91 | 141 Ų | 141 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | trans | -66.3 | 103 | 167.2 | -62.4 | 0 | 0 | 0 | 0 | 105.5 | A329 S333 | A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 3.46Å; S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 PolarHBondContact O-N 3.29Å |
| 332 | C | 36.9 | Very low | 38 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | | | trans | -60.6 | 100.7 | 165.4 | -75.1 | 0 | 0 | 0 | 0 | 106.1 | V330 S334 | V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 3Å; C332-S334 PolarHBondContact O-N 3.03Å |
| 333 | S | 35.6 | Very low | 37.5 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | | | trans | -65.1 | 79.3 | 163.3 | -55 | 0 | 0 | 0 | 0 | 106.8 | S331 D335 | S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 PolarHBondContact O-N 3.29Å; S333-D335 PolarHBondContact O-N 2.83Å; S333-D335 VanDerWaalsContact O-N 3.1Å |
| 334 | S | 35.8 | Very low | 36.6 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | | | trans | -65.3 | 105.4 | 159.7 | 46.5 | 0 | 0 | 0 | 0 | 105.6 | C332 T336 | C332-S334 PolarHBondContact O-N 3.03Å; S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.04Å; S334-T336 PolarHBondContact O-OG1 3.01Å |
| 335 | D | 32.3 | Very low | 36.1 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | | | trans | -45.5 | 96.2 | 164.6 | -78.2 | -44.6 | 0 | 0 | 0 | 109 | S333 | S333-D335 PolarHBondContact O-N 2.83Å; S333-D335 VanDerWaalsContact O-N 3.1Å |
| 336 | T | 35.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | | | trans | -141.2 | 78.4 | 168.5 | -36.4 | 0 | 0 | 0 | 0 | 106.7 | S334 | S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.04Å; S334-T336 PolarHBondContact O-OG1 3.01Å |
| 337 | I | 33.3 | Very low | 34.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | | 42.9 | 112.3 | 128.5 | -58.1 | 165.5 | 0 | 0 | 0 | 114 | | |
| 338 | R | 30.2 | Very low | 33.9 | Very low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | 85.2 | 73.4 | 145.9 | -159.9 | -177.8 | -168.5 | -177.3 | 2.1 | 116.6 | | |
| 339 | S | 29.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | trans | -135.1 | 99.1 | 144.5 | 49.7 | 0 | 0 | 0 | 0 | 109.2 | T341 | S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact O-N 2.93Å |
| 340 | H | 30.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | | | trans | -56.8 | 90.2 | 169.1 | -58.5 | -86.4 | 0 | 0 | 0 | 109 | | |
| 341 | T | 32 | Very low | 32.5 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | trans | -106.5 | 101.1 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 106.5 | S339 V343 | S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact O-N 2.93Å; T341-V343 PolarHBondContact O-N 3.17Å |
| 342 | T | 26.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | -64.6 | 81.8 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | R344 | T342-R344 PolarHBondContact O-N 2.96Š|
| 343 | V | 31.7 | Very low | 32.6 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.655 | 75% | 0.753 | S | S | * | * | | | trans | -80.4 | 108.6 | 166.8 | -176.6 | 0 | 0 | 0 | 0 | 106.4 | T341 F345 | T341-V343 PolarHBondContact O-N 3.17Å; V343-F345 WeakPolarHBondContact O-CD2 3.16Å; V343-F345 PolarHBondContact O-N 2.99Å |
| 344 | R | 27.2 | Very low | 32.9 | Very low | 225 Ų | 225 | 138.2 Ų | 138.2 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.7 | 175.8 | -70.5 | 178.8 | 175.3 | 177.4 | -1.8 | 108.5 | T342 P346 | T342-R344 PolarHBondContact O-N 2.96Å; R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.42Å |
| 345 | F | 28.7 | Very low | 33.3 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 122.2 | 169 | -72.4 | -91.9 | 0 | 0 | 0 | 109.7 | V343 | V343-F345 WeakPolarHBondContact O-CD2 3.16Å; V343-F345 PolarHBondContact O-N 2.99Å |
| 346 | P | 34.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 126.5 | 150.4 | 31.9 | -20.8 | 0 | 0 | 0 | 108.9 | R344 | R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.42Å |
| 347 | G | 28.5 | Very low | 34.8 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | | | trans | 96.6 | 82.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 348 | S | 33.3 | Very low | 35.3 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -60.6 | 138.1 | 161.5 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 349 | N | 31.1 | Very low | 36.1 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | | | trans | 101.8 | 39.4 | 150.6 | -47.9 | -24.3 | 0 | 0 | 0 | 121 | | |
| 350 | S | 33.7 | Very low | 37 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | trans | -113.3 | 91.4 | 145.4 | 68.6 | 0 | 0 | 0 | 0 | 108.9 | I352 | S350-I352 PolarHBondContact O-N 3.09Š|
| 351 | I | 34.4 | Very low | 38 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -61.3 | 96.4 | 161.3 | -63.2 | 163.2 | 0 | 0 | 0 | 104.6 | D353 | I351-D353 VanDerWaalsContact C-N 3.27Å; I351-D353 PolarHBondContact O-N 2.98Å; I351-D353 VanDerWaalsContact O-N 3.09Å |
| 352 | I | 43.2 | Very low | 39.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | trans | -76.8 | 94.3 | 168.4 | -62.3 | 169.8 | 0 | 0 | 0 | 103.7 | S350 F354 | S350-I352 PolarHBondContact O-N 3.09Å; I352-F354 VanDerWaalsContact C-N 3.28Å; I352-F354 HydrophobicContact CB-CE2 4.31Å; I352-F354 HydrophobicContact CG2-CD2 3.99Å; I352-F354 HydrophobicContact CG2-CE2 3.74Å; I352-F354 HydrophobicContact CG2-CZ 4.21Å; I352-F354 WeakPolarHBondContact O-CD2 3.45Å; I352-F354 PolarHBondContact O-N 3.1Å |
| 353 | D | 36.3 | Very low | 40.2 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -60.4 | 96.8 | 168.3 | -83.3 | -30.2 | 0 | 0 | 0 | 107.4 | I351 D355 | I351-D353 VanDerWaalsContact C-N 3.27Å; I351-D353 PolarHBondContact O-N 2.98Å; I351-D353 VanDerWaalsContact O-N 3.09Å; D353-D355 PolarHBondContact O-N 3.01Å |
| 354 | F | 42.7 | Very low | 41 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 75% | 0.746 | 75% | 0.749 | S | S | * | * | | | trans | -70.4 | 93.3 | 161.2 | -78.9 | -87.4 | 0 | 0 | 0 | 106.3 | I352 L356 | I352-F354 VanDerWaalsContact C-N 3.28Å; I352-F354 HydrophobicContact CB-CE2 4.31Å; I352-F354 HydrophobicContact CG2-CD2 3.99Å; I352-F354 HydrophobicContact CG2-CE2 3.74Å; I352-F354 HydrophobicContact CG2-CZ 4.21Å; I352-F354 WeakPolarHBondContact O-CD2 3.45Å; I352-F354 PolarHBondContact O-N 3.1Å; F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 PolarHBondContact O-N 3.43Å |
| 355 | D | 44.3 | Very low | 42.4 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 52% | 0.519 | 74% | 0.744 | S | S | . | * | | | trans | -65.3 | 92.4 | 169.4 | -169.1 | 0.6 | 0 | 0 | 0 | 108.2 | D353 N357 S358 | D353-D355 PolarHBondContact O-N 3.01Å; D355-N357 PolarHBondContact O-N 2.84Å; D355-N357 WeakPolarHBondContact OD1-CB 3.21Å; D355-N357 PolarHBondContact OD1-N 3.36Å; D355-N357 PolarHBondContact OD1-ND2 3.34Å; D355-S358 PolarHBondContact O-N 3.43Å; D355-S358 PolarHBondContact O-OG 3.32Å |
| 356 | L | 50.8 | Low | 43.2 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -10.2 | 178.2 | -77.8 | 159.9 | 0 | 0 | 0 | 112.7 | F354 | F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 PolarHBondContact O-N 3.43Å |
| 357 | N | 47.4 | Very low | 43.6 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -9.2 | 175.7 | -58.5 | -51.5 | 0 | 0 | 0 | 113.5 | D355 S359 | D355-N357 PolarHBondContact O-N 2.84Å; D355-N357 WeakPolarHBondContact OD1-CB 3.21Å; D355-N357 PolarHBondContact OD1-N 3.36Å; D355-N357 PolarHBondContact OD1-ND2 3.34Å; N357-S359 PolarHBondContact O-N 3.3Å |
| 358 | S | 44.1 | Very low | 44.5 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -76.4 | 98.4 | 173.6 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | D355 | D355-S358 PolarHBondContact O-N 3.43Å; D355-S358 PolarHBondContact O-OG 3.32Å |
| 359 | S | 47.8 | Very low | 45.2 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.7 | 168.7 | -68.2 | 0 | 0 | 0 | 0 | 108.4 | N357 S361 | N357-S359 PolarHBondContact O-N 3.3Å; S359-S361 PolarHBondContact O-N 3.41Å |
| 360 | P | 49.3 | Very low | 46.1 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.8 | -175.4 | 21.8 | -32.4 | 0 | 0 | 0 | 109.8 | V362 | P360-V362 PolarHBondContact O-N 3.39Š|
| 361 | S | 50.5 | Low | 46.6 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 116.2 | 175.6 | 31.9 | 0 | 0 | 0 | 0 | 109.2 | S359 | S359-S361 PolarHBondContact O-N 3.41Š|
| 362 | V | 55.7 | Low | 46.7 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.9 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | P360 S364 | P360-V362 PolarHBondContact O-N 3.39Å; V362-S364 PolarHBondContact O-N 3.39Å |
| 363 | P | 49.9 | Very low | 46.4 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.9 | 179.3 | 21.2 | -30.3 | 0 | 0 | 0 | 109.5 | | |
| 364 | S | 48.4 | Very low | 46.5 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 138.4 | 178.3 | 19.9 | 0 | 0 | 0 | 0 | 110.4 | V362 | V362-S364 PolarHBondContact O-N 3.39Š|
| 365 | P | 55.3 | Low | 46 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 147.2 | 179.7 | 25.2 | -32.6 | 0 | 0 | 0 | 110.6 | | |
| 366 | P | 45.9 | Very low | 45.6 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 148 | 178 | 24.9 | -32.9 | 0 | 0 | 0 | 111 | V368 | P366-V368 PolarHBondContact O-N 3.36Š|
| 367 | P | 42.3 | Very low | 44.9 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.3 | -178 | 23.2 | -32.4 | 0 | 0 | 0 | 111.2 | I369 | P367-I369 PolarHBondContact O-N 3.14Š|
| 368 | V | 48 | Very low | 44 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.3 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | P366 V370 | P366-V368 PolarHBondContact O-N 3.36Å; V368-V370 PolarHBondContact O-N 3.48Å; V368-V370 VanDerWaalsContact O-N 3.11Å |
| 369 | I | 48.4 | Very low | 43.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | -72.5 | 103.3 | 170.6 | -58.6 | 169.5 | 0 | 0 | 0 | 106.8 | P367 E371 | P367-I369 PolarHBondContact O-N 3.14Å; I369-E371 PolarHBondContact O-N 3.25Å; I369-E371 VanDerWaalsContact O-N 3.14Å |
| 370 | V | 49.7 | Very low | 42.5 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -76.9 | 97.9 | 169.9 | -173.8 | 0 | 0 | 0 | 0 | 106.7 | V368 R372 | V368-V370 PolarHBondContact O-N 3.48Å; V368-V370 VanDerWaalsContact O-N 3.11Å; V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.33Å |
| 371 | E | 43.6 | Very low | 41.4 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | trans | -61.7 | 95.1 | 163.5 | -72.5 | -171.9 | 171.6 | 0 | 0 | 107.3 | I369 L373 | I369-E371 PolarHBondContact O-N 3.25Å; I369-E371 VanDerWaalsContact O-N 3.14Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.46Å |
| 372 | R | 36.2 | Very low | 40.3 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -65.3 | 99.2 | 167.4 | -75.5 | -169.7 | 177 | 114.1 | -1.6 | 106.5 | V370 | V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.33Å |
| 373 | L | 37.5 | Very low | 38.9 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | -53.9 | 133.9 | 161.2 | -69.7 | 171.2 | 0 | 0 | 0 | 107.1 | E371 C375 | E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.46Å; L373-C375 PolarHBondContact O-N 3.47Å |
| 374 | P | 38.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -58.4 | 111.7 | 177.2 | 22.3 | -30.3 | 0 | 0 | 0 | 107.9 | E376 | P374-E376 PolarHBondContact O-N 3.36Š|
| 375 | C | 32.2 | Very low | 37 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | -62.7 | 118.2 | 165.9 | -67.4 | 0 | 0 | 0 | 0 | 106.1 | L373 L377 | L373-C375 PolarHBondContact O-N 3.47Å; C375-L377 PolarHBondContact O-N 3.32Å |
| 376 | E | 36.4 | Very low | 35.7 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -60.2 | 93.3 | 166 | -61.8 | -159 | 167.2 | 0 | 0 | 106.9 | P374 D378 | P374-E376 PolarHBondContact O-N 3.36Å; E376-D378 PolarHBondContact O-N 3.49Å |
| 377 | L | 34.9 | Very low | 34.8 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -85.9 | 98.1 | 174.5 | -162.9 | 67.4 | 0 | 0 | 0 | 105.4 | C375 I379 | C375-L377 PolarHBondContact O-N 3.32Å; L377-I379 HydrophobicContact CB-CG1 4.41Å; L377-I379 HydrophobicContact CD2-CD1 3.63Å; L377-I379 HydrophobicContact CD2-CG1 3.95Å; L377-I379 HydrophobicContact CG-CD1 4.07Å; L377-I379 HydrophobicContact CG-CG1 3.86Å; L377-I379 PolarHBondContact O-N 3.12Å |
| 378 | D | 28.7 | Very low | 34.2 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -54 | 87.3 | 164.7 | -77.8 | -40.5 | 0 | 0 | 0 | 108.8 | E376 | E376-D378 PolarHBondContact O-N 3.49Š|
| 379 | I | 33.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 67% | 0.672 | 78% | 0.777 | S | S | * | * | | | trans | -98.6 | 103.7 | 169.7 | -61.2 | 167.6 | 0 | 0 | 0 | 107.1 | L377 | L377-I379 HydrophobicContact CB-CG1 4.41Å; L377-I379 HydrophobicContact CD2-CD1 3.63Å; L377-I379 HydrophobicContact CD2-CG1 3.95Å; L377-I379 HydrophobicContact CG-CD1 4.07Å; L377-I379 HydrophobicContact CG-CG1 3.86Å; L377-I379 PolarHBondContact O-N 3.12Å |
| 380 | S | 26.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -39.6 | 139.5 | 166.3 | -167.5 | 0 | 0 | 0 | 0 | 112.7 | S382 | S380-S382 PolarHBondContact O-N 2.79Š|
| 381 | E | 27.2 | Very low | 31.3 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -32.8 | 105.4 | 171.2 | -71.6 | 167.9 | 126.9 | 0 | 0 | 113.1 | | |
| 382 | S | 26.9 | Very low | 30.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -125.5 | 88.9 | 152.3 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | S380 | S380-S382 PolarHBondContact O-N 2.79Š|
| 383 | Q | 27.4 | Very low | 30.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | trans | 1.8 | 130.7 | 143.7 | -170 | 167 | -6.2 | 0 | 0 | 117.3 | | |
| 384 | E | 27.9 | Very low | 30.4 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | 68.1 | 92.3 | 153.1 | -73.7 | 163.2 | -161.8 | 0 | 0 | 117.9 | | |
| 385 | Q | 28.6 | Very low | 30.1 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | | 168.6 | 156 | 118.5 | -86.9 | 163.5 | 25.1 | 0 | 0 | 108.7 | | |
| 386 | H | 28.4 | Very low | 30.3 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | 89.6 | 80 | -177.7 | -43.2 | -65.4 | 0 | 0 | 0 | 116.1 | | |
| 387 | S | 26.7 | Very low | 30.4 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -103.6 | 151.7 | 149.4 | 80.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 388 | I | 30.4 | Very low | 30.6 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | 84.2 | 57.9 | -179.5 | -34.2 | 159.6 | 0 | 0 | 0 | 115 | | |
| 389 | C | 26.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -116.1 | 89.8 | 143.3 | -77.9 | 0 | 0 | 0 | 0 | 108 | S391 | C389-S391 PolarHBondContact O-N 2.99Å; C389-S391 VanDerWaalsContact O-N 3.14Å |
| 390 | S | 29.6 | Very low | 31.3 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -69.9 | 105.1 | 170 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | T392 | S390-T392 PolarHBondContact O-N 2.82Å; S390-T392 PolarHBondContact O-OG1 2.92Å |
| 391 | S | 29.7 | Very low | 32 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 0.2 | 92.5 | 145.4 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | C389 | C389-S391 PolarHBondContact O-N 2.99Å; C389-S391 VanDerWaalsContact O-N 3.14Å |
| 392 | T | 31 | Very low | 32.8 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -129.8 | 67.7 | 157.4 | -37.9 | 0 | 0 | 0 | 0 | 108.4 | S390 | S390-T392 PolarHBondContact O-N 2.82Å; S390-T392 PolarHBondContact O-OG1 2.92Å |
| 393 | L | 32.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -105.6 | 82.9 | 173.9 | -155.1 | 145.7 | 0 | 0 | 0 | 106 | | |
| 394 | N | 34.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -158.8 | 41.3 | 179.5 | -98.2 | -18.4 | 0 | 0 | 0 | 113.6 | | |
| 395 | N | 32.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -125.5 | 98.2 | 163.3 | -107.6 | -38.5 | 0 | 0 | 0 | 110.1 | N397 | N395-N397 PolarHBondContact O-N 3.15Å; N395-N397 VanDerWaalsContact O-N 3.16Å |
| 396 | P | 37.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 11.1 | -177.9 | 31 | -33.3 | 0 | 0 | 0 | 114.2 | | |
| 397 | N | 38.2 | Very low | 35.9 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 5.3 | -171 | -71.3 | -25.5 | 0 | 0 | 0 | 115.7 | N395 | N395-N397 PolarHBondContact O-N 3.15Å; N395-N397 VanDerWaalsContact O-N 3.16Å |
| 398 | L | 39.3 | Very low | 36.5 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -139.3 | 71.4 | -179.6 | -67.2 | 172.9 | 0 | 0 | 0 | 111.9 | | |
| 399 | A | 40.6 | Very low | 37 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -131.7 | 65.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P401 | A399-P401 WeakPolarHBondContact O-CD 3.12Š|
| 400 | R | 35.6 | Very low | 37.8 | Very low | 225 Ų | 225 | 143.9 Ų | 143.9 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | -61 | 127.9 | 158.2 | -76.6 | -173.3 | 177.4 | -161.9 | 0.4 | 106.4 | I402 | R400-I402 WeakPolarHBondContact O-CG1 3.2Å; R400-I402 PolarHBondContact O-N 3.16Å |
| 401 | P | 41.6 | Very low | 38.1 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -65.7 | 100.9 | 177 | 23.6 | -29.8 | 0 | 0 | 0 | 108.7 | A399 | A399-P401 WeakPolarHBondContact O-CD 3.12Š|
| 402 | I | 44.6 | Very low | 38.4 | Very low | 126 Ų | 126 | 145 Ų | 145 | 65% | 0.646 | 79% | 0.794 | S | S | * | * | | | trans | -79.7 | 136.9 | 168.1 | -41.3 | 179.2 | 0 | 0 | 0 | 105.3 | R400 | R400-I402 WeakPolarHBondContact O-CG1 3.2Å; R400-I402 PolarHBondContact O-N 3.16Å |
| 403 | F | 45.5 | Very low | 38.6 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | | | trans | 88.3 | 76.4 | 173.9 | -40.5 | -68.3 | 0 | 0 | 0 | 117.3 | K405 | F403-K405 PolarHBondContact O-N 3.09Å; F403-K405 VanDerWaalsContact O-N 3.12Å |
| 404 | L | 42.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -72.5 | 86.2 | 144 | -71 | 171.4 | 0 | 0 | 0 | 107.6 | R406 | L404-R406 PolarHBondContact O-N 2.96Å; L404-R406 VanDerWaalsContact O-N 3.08Å |
| 405 | K | 43.1 | Very low | 38.4 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 104.3 | 175.8 | -156.6 | 178.5 | -174.6 | -175.7 | 0 | 107.6 | F403 G407 | F403-K405 PolarHBondContact O-N 3.09Å; F403-K405 VanDerWaalsContact O-N 3.12Å; K405-G407 PolarHBondContact O-N 2.82Å; K405-G407 VanDerWaalsContact O-N 3.1Å |
| 406 | R | 39.3 | Very low | 38.3 | Very low | 244 Ų | 244 | 149.7 Ų | 149.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -57.8 | 112.7 | 163.1 | -94 | -176.6 | -99.1 | 179.5 | -5.2 | 106.5 | L404 | L404-R406 PolarHBondContact O-N 2.96Å; L404-R406 VanDerWaalsContact O-N 3.08Å |
| 407 | G | 32.5 | Very low | 37.9 | Very low | 67 Ų | 67 | 150.9 Ų | 150.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -58.6 | 138 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | K405 | K405-G407 PolarHBondContact O-N 2.82Å; K405-G407 VanDerWaalsContact O-N 3.1Å |
| 408 | A | 40.3 | Very low | 37.7 | Very low | 81 Ų | 81 | 150.8 Ų | 150.8 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | -62 | 145.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D410 | A408-D410 PolarHBondContact O-N 2.95Å; A408-D410 VanDerWaalsContact O-N 3.15Å |
| 409 | P | 40.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | trans | -63.8 | 114.1 | 169.8 | 26.4 | -30.1 | 0 | 0 | 0 | 107.9 | D411 | P409-D411 PolarHBondContact O-N 2.81Š|
| 410 | D | 44.1 | Very low | 36.9 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -68.5 | 98.5 | 170.2 | -75.7 | -36.7 | 0 | 0 | 0 | 107.5 | A408 A412 | A408-D410 PolarHBondContact O-N 2.95Å; A408-D410 VanDerWaalsContact O-N 3.15Å; D410-A412 PolarHBondContact O-N 2.73Å |
| 411 | D | 36.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -64.1 | 77.5 | 161.6 | -71.6 | -37.3 | 0 | 0 | 0 | 108.4 | P409 | P409-D411 PolarHBondContact O-N 2.81Š|
| 412 | A | 35.2 | Very low | 36 | Very low | 79 Ų | 79 | 148 Ų | 148 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | | | trans | -101.2 | 78.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | D410 Q414 | D410-A412 PolarHBondContact O-N 2.73Å; A412-Q414 VanDerWaalsContact C-N 3.35Å; A412-Q414 PolarHBondContact O-N 2.88Å |
| 413 | E | 34 | Very low | 35.3 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -60.2 | 99.4 | 153.6 | -63.7 | -167.6 | 167.1 | 0 | 0 | 108 | | |
| 414 | Q | 35 | Very low | 34.9 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -113.6 | 88 | 159.4 | -78.6 | -166.7 | -6.9 | 0 | 0 | 108.8 | A412 | A412-Q414 VanDerWaalsContact C-N 3.35Å; A412-Q414 PolarHBondContact O-N 2.88Å |
| 415 | N | 28.3 | Very low | 34.5 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | 15.4 | 128.3 | 140.8 | -152.8 | -1.5 | 0 | 0 | 0 | 118 | | |
| 416 | F | 29.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -67.1 | 166.1 | 169.3 | -73.3 | -99.5 | 0 | 0 | 0 | 111.6 | | |
| 417 | D | 29.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 102.5 | 128 | 154.8 | -52.5 | -36.1 | 0 | 0 | 0 | 118.2 | | |
| 418 | D | 32.5 | Very low | 33.8 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | 74.8 | 76.9 | 155.2 | -69.4 | -17.6 | 0 | 0 | 0 | 119.9 | | |
| 419 | I | 32.4 | Very low | 33.6 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | | | | -132.9 | 92.9 | 126.1 | -55.5 | -176.7 | 0 | 0 | 0 | 110 | | |
| 420 | I | 31.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -45.4 | 138.3 | 157.4 | -65.6 | 157.8 | 0 | 0 | 0 | 111.2 | | |
| 421 | G | 26.5 | Very low | 33.3 | Very low | 67 Ų | 67 | 149.8 Ų | 149.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 108.5 | 72 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 422 | L | 31.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -127.5 | 86.8 | 147 | -155.8 | 71 | 0 | 0 | 0 | 109.8 | I424 | L422-I424 PolarHBondContact O-N 2.86Š|
| 423 | D | 31.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -3.8 | 98.5 | 159 | -150.5 | -0.5 | 0 | 0 | 0 | 115.7 | N425 | D423-N425 PolarHBondContact O-N 2.68Å; D423-N425 PolarHBondContact OD1-ND2 2.73Å |
| 424 | I | 35.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | -81.3 | 7.6 | 179.5 | -60.7 | 170.7 | 0 | 0 | 0 | 111.4 | L422 K426 | L422-I424 PolarHBondContact O-N 2.86Å; I424-K426 VanDerWaalsContact C-N 3.34Å; I424-K426 PolarHBondContact O-N 3.27Å |
| 425 | N | 35.1 | Very low | 33.2 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -92.8 | 34 | -170.9 | -58.3 | -51.6 | 0 | 0 | 0 | 115.3 | D423 | D423-N425 PolarHBondContact O-N 2.68Å; D423-N425 PolarHBondContact OD1-ND2 2.73Å |
| 426 | K | 36 | Very low | 33.6 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 70% | 0.7 | 79% | 0.786 | S | S | * | * | | | trans | -105.7 | 88.5 | 161.6 | -67.7 | -165.1 | 179.5 | -176 | 0 | 109 | I424 Y428 | I424-K426 VanDerWaalsContact C-N 3.34Å; I424-K426 PolarHBondContact O-N 3.27Å; K426-Y428 HydrophobicContact CB-CD2 3.81Å; K426-Y428 HydrophobicContact CB-CE2 3.79Å; K426-Y428 HydrophobicContact CD-CE2 4.21Å; K426-Y428 PolarHBondContact O-N 3.1Å |
| 427 | E | 32.3 | Very low | 33.7 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -34.6 | 82.7 | 146.6 | -172.8 | 170 | -159.9 | 0 | 0 | 109.7 | | |
| 428 | Y | 32 | Very low | 34.1 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | -90.8 | 103.9 | 165.6 | -92 | -84.1 | 0 | 0 | 0 | 105.6 | K426 I430 | K426-Y428 HydrophobicContact CB-CD2 3.81Å; K426-Y428 HydrophobicContact CB-CE2 3.79Å; K426-Y428 HydrophobicContact CD-CE2 4.21Å; K426-Y428 PolarHBondContact O-N 3.1Å; Y428-I430 PolarHBondContact O-N 3.32Å; Y428-I430 VanDerWaalsContact O-N 3.09Å |
| 429 | D | 35.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -35.3 | 117 | 162.6 | -85.8 | -45.8 | 0 | 0 | 0 | 109.2 | P431 | D429-P431 WeakPolarHBondContact O-CD 3.43Š|
| 430 | I | 37.6 | Very low | 34.2 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -48 | 112.4 | 170.5 | -66.6 | 157.1 | 0 | 0 | 0 | 105.9 | Y428 S432 | Y428-I430 PolarHBondContact O-N 3.32Å; Y428-I430 VanDerWaalsContact O-N 3.09Å; I430-S432 VanDerWaalsContact C-N 3.26Å; I430-S432 PolarHBondContact O-N 3.22Å |
| 431 | P | 40.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -64.3 | 103.1 | 171.3 | -13.5 | 28.2 | 0 | 0 | 0 | 104.7 | D429 A433 | D429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-A433 PolarHBondContact O-N 3.11Å; P431-A433 VanDerWaalsContact O-N 3.08Å |
| 432 | S | 36.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -34.9 | 119 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | I430 M434 | I430-S432 VanDerWaalsContact C-N 3.26Å; I430-S432 PolarHBondContact O-N 3.22Å; S432-M434 PolarHBondContact O-N 3.47Å |
| 433 | A | 35.2 | Very low | 35.9 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -46.4 | 94 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P431 K435 | P431-A433 PolarHBondContact O-N 3.11Å; P431-A433 VanDerWaalsContact O-N 3.08Å; A433-K435 VanDerWaalsContact C-N 3.29Å; A433-K435 PolarHBondContact O-N 3.19Å |
| 434 | M | 31 | Very low | 36.4 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | trans | -65.3 | 102.7 | 175.1 | -170.2 | 100.2 | 127.8 | 0 | 0 | 103.4 | S432 R436 | S432-M434 PolarHBondContact O-N 3.47Å; M434-R436 PolarHBondContact O-N 3.11Å |
| 435 | K | 35.5 | Very low | 36.9 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -32.6 | 101.1 | 172.7 | -87.2 | 174.1 | 168.4 | 173.9 | 0 | 108 | A433 S437 | A433-K435 VanDerWaalsContact C-N 3.29Å; A433-K435 PolarHBondContact O-N 3.19Å; K435-S437 PolarHBondContact O-N 3.44Å |
| 436 | R | 36.1 | Very low | 37.3 | Very low | 238 Ų | 238 | 156 Ų | 156 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -70.3 | 84.2 | 163.3 | -108.2 | -179.2 | 169.4 | 152 | -2.9 | 104.4 | M434 H438 | M434-R436 PolarHBondContact O-N 3.11Å; R436-H438 PolarHBondContact O-N 3.46Å; R436-H438 VanDerWaalsContact O-N 3.14Å |
| 437 | S | 32.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 158.5 Ų | 158.5 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | | | trans | -43.8 | 119.2 | 161.7 | 170.5 | 0 | 0 | 0 | 0 | 106.5 | K435 Y439 | K435-S437 PolarHBondContact O-N 3.44Å; S437-Y439 PolarHBondContact O-N 3.45Å |
| 438 | H | 39 | Very low | 38 | Very low | 146 Ų | 146 | 153.2 Ų | 153.2 | 68% | 0.676 | 76% | 0.757 | S | S | * | * | | | trans | -65 | 64.9 | 172 | -68 | -82.6 | 0 | 0 | 0 | 109.5 | R436 W440 | R436-H438 PolarHBondContact O-N 3.46Å; R436-H438 VanDerWaalsContact O-N 3.14Å; H438-W440 HydrophobicContact CB-CZ2 4.4Å; H438-W440 AromaticContact ND1-CZ2 3.47Å; H438-W440 WeakPolarHBondContact ND1-CZ2 3.35Å; H438-W440 PolarHBondContact O-N 3.14Å |
| 439 | Y | 31.2 | Very low | 38.6 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | -92.2 | 90.4 | 160.9 | -111.3 | -98 | 0 | 0 | 0 | 106 | S437 D441 | S437-Y439 PolarHBondContact O-N 3.45Å; Y439-D441 PolarHBondContact O-N 3.15Å |
| 440 | W | 35.1 | Very low | 38.9 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -60.5 | 88.6 | 160.9 | -45.1 | 98.6 | 0 | 0 | 0 | 106.3 | H438 L442 | H438-W440 HydrophobicContact CB-CZ2 4.4Å; H438-W440 AromaticContact ND1-CZ2 3.47Å; H438-W440 WeakPolarHBondContact ND1-CZ2 3.35Å; H438-W440 PolarHBondContact O-N 3.14Å; W440-L442 PolarHBondContact O-N 3.11Å; W440-L442 VanDerWaalsContact O-N 3.12Å |
| 441 | D | 34.7 | Very low | 39.4 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 56% | 0.556 | 76% | 0.762 | S | S | * | * | | | trans | -74.5 | 99.9 | 175 | -165.6 | -13.3 | 0 | 0 | 0 | 107.3 | Y439 T443 | Y439-D441 PolarHBondContact O-N 3.15Å; D441-T443 PolarHBondContact O-N 2.99Å; D441-T443 PolarHBondContact OD1-N 3.45Å; D441-T443 PolarHBondContact OD1-OG1 3.25Å |
| 442 | L | 43.9 | Very low | 39.5 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 5.1 | -179.3 | -87.6 | 105 | 0 | 0 | 0 | 113.8 | W440 | W440-L442 PolarHBondContact O-N 3.11Å; W440-L442 VanDerWaalsContact O-N 3.12Å |
| 443 | T | 45.6 | Very low | 39.8 | Very low | 107 Ų | 107 | 157.3 Ų | 157.3 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -0.1 | -171.2 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | D441 | D441-T443 PolarHBondContact O-N 2.99Å; D441-T443 PolarHBondContact OD1-N 3.45Å; D441-T443 PolarHBondContact OD1-OG1 3.25Å |
| 444 | N | 42.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 158 Ų | 158 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | trans | -113.1 | 56 | 176.4 | -65 | -45.1 | 0 | 0 | 0 | 112.3 | E446 | N444-E446 PolarHBondContact O-N 3.23Š|
| 445 | E | 45.9 | Very low | 41 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -74 | 81.2 | 155 | -77.2 | -167.2 | 159.1 | 0 | 0 | 108.1 | Y447 | E445-Y447 PolarHBondContact O-N 3.1Š|
| 446 | E | 43.5 | Very low | 41.6 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | -57.8 | 104.5 | 164 | -159.2 | 169.5 | -153.2 | 0 | 0 | 106.9 | N444 S448 | N444-E446 PolarHBondContact O-N 3.23Å; E446-S448 VanDerWaalsContact C-N 3.35Å; E446-S448 PolarHBondContact O-N 2.84Å |
| 447 | Y | 41.5 | Very low | 42.1 | Very low | 214 Ų | 214 | 149.4 Ų | 149.4 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -59.4 | 92.7 | -173 | -167.4 | -92.7 | 0 | 0 | 0 | 109.6 | E445 P449 | E445-Y447 PolarHBondContact O-N 3.1Å; Y447-P449 VanDerWaalsContact O-CD 3.23Å; Y447-P449 WeakPolarHBondContact O-CD 3.41Å |
| 448 | S | 43 | Very low | 42.9 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 53% | 0.531 | 74% | 0.738 | S | S | . | * | | | trans | -78.2 | 114.2 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | E446 K450 | E446-S448 VanDerWaalsContact C-N 3.35Å; E446-S448 PolarHBondContact O-N 2.84Å; S448-K450 PolarHBondContact O-N 3.23Å |
| 449 | P | 43.9 | Very low | 43.2 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -0.7 | -176 | -19.4 | 33.1 | 0 | 0 | 0 | 114.3 | Y447 | Y447-P449 VanDerWaalsContact O-CD 3.23Å; Y447-P449 WeakPolarHBondContact O-CD 3.41Å |
| 450 | K | 41.8 | Very low | 44 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -3.3 | -174.5 | -72.1 | -170.9 | 176.1 | -180 | 0 | 114.8 | S448 S452 | S448-K450 PolarHBondContact O-N 3.23Å; K450-S452 VanDerWaalsContact C-N 3.29Å; K450-S452 PolarHBondContact O-N 3.25Å |
| 451 | K | 48 | Very low | 44.9 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -86 | 82.7 | 169 | -69.1 | -174.4 | 179.2 | 177 | 0 | 109.3 | R453 | K451-R453 PolarHBondContact O-N 3.11Š|
| 452 | S | 42.6 | Very low | 45.6 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | trans | 10.9 | 109.7 | 146.7 | 174.5 | 0 | 0 | 0 | 0 | 113.9 | K450 V454 | K450-S452 VanDerWaalsContact C-N 3.29Å; K450-S452 PolarHBondContact O-N 3.25Å; S452-V454 PolarHBondContact O-N 3.03Å; S452-V454 WeakPolarHBondContact OG-CG2 3.46Å |
| 453 | R | 43.1 | Very low | 45.6 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | | | trans | -56 | 67.1 | 166.7 | -175.4 | -179 | 160.5 | 148.5 | -4.1 | 110.7 | K451 Q455 | K451-R453 PolarHBondContact O-N 3.11Å; R453-Q455 HydrophobicContact CG-CG 4.05Å; R453-Q455 PolarHBondContact O-N 3.18Å; R453-Q455 VanDerWaalsContact O-N 3.1Å |
| 454 | V | 46.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | | | trans | -81 | 78.9 | 156 | -165.8 | 0 | 0 | 0 | 0 | 103.3 | S452 L456 | S452-V454 PolarHBondContact O-N 3.03Å; S452-V454 WeakPolarHBondContact OG-CG2 3.46Å; V454-L456 PolarHBondContact O-N 2.85Å |
| 455 | Q | 46 | Very low | 45.8 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 62% | 0.621 | 73% | 0.726 | S | S | * | * | | | trans | -59.3 | 97.2 | 155.7 | -77.6 | 176.5 | -15.5 | 0 | 0 | 103.6 | R453 L457 | R453-Q455 HydrophobicContact CG-CG 4.05Å; R453-Q455 PolarHBondContact O-N 3.18Å; R453-Q455 VanDerWaalsContact O-N 3.1Å; Q455-L457 PolarHBondContact O-N 2.9Å |
| 456 | L | 48.2 | Very low | 45.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | | | trans | -53.6 | 98.1 | 161.8 | -77.9 | 156.8 | 0 | 0 | 0 | 103.7 | V454 L458 | V454-L456 PolarHBondContact O-N 2.85Å; L456-L458 HydrophobicContact CB-CD1 3.74Å; L456-L458 PolarHBondContact O-N 2.78Å |
| 457 | L | 47 | Very low | 45.9 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 71% | 0.711 | S | S | * | * | | | trans | -62.1 | 75.1 | 157.5 | -80.4 | 150 | 0 | 0 | 0 | 104.1 | Q455 P459 | Q455-L457 PolarHBondContact O-N 2.9Å; L457-P459 WeakPolarHBondContact O-CD 3.49Å; L457-P459 VanDerWaalsContact O-N 3.13Å |
| 458 | L | 47.6 | Very low | 46.1 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | | | trans | -56.5 | 117.8 | 157.1 | -93.3 | 91.5 | 0 | 0 | 0 | 103 | L456 S460 | L456-L458 HydrophobicContact CB-CD1 3.74Å; L456-L458 PolarHBondContact O-N 2.78Å; L458-S460 PolarHBondContact O-N 3.37Å |
| 459 | P | 47.1 | Very low | 46.2 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | trans | -53.3 | 114.3 | 164.4 | -16 | 29.7 | 0 | 0 | 0 | 104.2 | L457 E461 | L457-P459 WeakPolarHBondContact O-CD 3.49Å; L457-P459 VanDerWaalsContact O-N 3.13Å; P459-E461 PolarHBondContact O-N 2.76Å |
| 460 | S | 47.3 | Very low | 46.2 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | | | trans | -52.8 | 134.9 | 167.4 | 54 | 0 | 0 | 0 | 0 | 105.2 | L458 C462 S463 | L458-S460 PolarHBondContact O-N 3.37Å; S460-C462 PolarHBondContact O-N 3.48Å; S460-S463 PolarHBondContact O-N 3.29Å; S460-S463 VanDerWaalsContact OG-CB 3.29Å; S460-S463 WeakPolarHBondContact OG-CB 3.45Å |
| 461 | E | 54.1 | Low | 46.4 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 91% | 0.907 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -5.9 | -179 | 55.2 | -146.6 | 149.4 | 0 | 0 | 113.9 | P459 | P459-E461 PolarHBondContact O-N 2.76Š|
| 462 | C | 48.3 | Very low | 46.2 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 69% | 0.689 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -2 | 173.7 | -56 | 0 | 0 | 0 | 0 | 115.1 | S460 | S460-C462 PolarHBondContact O-N 3.48Š|
| 463 | S | 44 | Very low | 46.1 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 53% | 0.531 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -122.5 | 89.4 | -170.1 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | S460 | S460-S463 PolarHBondContact O-N 3.29Å; S460-S463 VanDerWaalsContact OG-CB 3.29Å; S460-S463 WeakPolarHBondContact OG-CB 3.45Å |
| 464 | A | 45.1 | Very low | 46.2 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 163.1 | -22.8 | 135 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 465 | F | 48.5 | Very low | 46 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | | | trans | -147.8 | 43.1 | -171 | -59.3 | -76.5 | 0 | 0 | 0 | 114.5 | P467 | F465-P467 WeakPolarHBondContact O-CD 3.4Š|
| 466 | L | 45.7 | Very low | 45.9 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | | | trans | -68.6 | 118.2 | 159.3 | -74.8 | 174.5 | 0 | 0 | 0 | 107 | V468 | L466-V468 PolarHBondContact O-N 3.49Š|
| 467 | P | 45.8 | Very low | 45.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | | | trans | -57.5 | 109.9 | 169.5 | 22.5 | -29.8 | 0 | 0 | 0 | 106.4 | F465 K469 | F465-P467 WeakPolarHBondContact O-CD 3.4Å; P467-K469 VanDerWaalsContact C-N 3.27Å; P467-K469 PolarHBondContact O-N 3.47Å |
| 468 | V | 45.7 | Very low | 45.4 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -59.8 | 101.7 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 104.4 | L466 S470 | L466-V468 PolarHBondContact O-N 3.49Å; V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 PolarHBondContact O-N 3.33Å |
| 469 | K | 44.6 | Very low | 45.1 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -58.6 | 101.5 | 168.4 | -72.4 | -173.5 | 176.9 | -178.2 | 0 | 104.8 | P467 T471 | P467-K469 VanDerWaalsContact C-N 3.27Å; P467-K469 PolarHBondContact O-N 3.47Å; K469-T471 VanDerWaalsContact C-N 3.35Å; K469-T471 PolarHBondContact O-N 3.31Å |
| 470 | S | 44.2 | Very low | 44.8 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | | | trans | -63.7 | 103.4 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 106 | V468 R472 | V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 PolarHBondContact O-N 3.33Å; S470-R472 PolarHBondContact O-N 3.05Å; S470-R472 WeakPolarHBondContact OG-CG 3.41Å |
| 471 | T | 44.5 | Very low | 44.4 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | -72.2 | 42.5 | 167.4 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | K469 Q473 | K469-T471 VanDerWaalsContact C-N 3.35Å; K469-T471 PolarHBondContact O-N 3.31Å; T471-Q473 PolarHBondContact O-N 3.17Å; T471-Q473 VanDerWaalsContact O-N 3.09Å |
| 472 | R | 44.6 | Very low | 43.9 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | -78.1 | 47 | 152.5 | -65.1 | -177.5 | -172.7 | -165.1 | 3.9 | 108.9 | S470 L474 | S470-R472 PolarHBondContact O-N 3.05Å; S470-R472 WeakPolarHBondContact OG-CG 3.41Å; R472-L474 PolarHBondContact O-N 3.44Å |
| 473 | Q | 41.4 | Very low | 43.4 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | | | trans | -68 | 83.5 | 133.7 | -85.6 | -176.7 | -19 | 0 | 0 | 103.4 | T471 D475 | T471-Q473 PolarHBondContact O-N 3.17Å; T471-Q473 VanDerWaalsContact O-N 3.09Å; Q473-D475 PolarHBondContact O-N 3.43Å |
| 474 | L | 44.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | | | trans | -52.2 | 105.6 | 155.1 | -78 | 164.8 | 0 | 0 | 0 | 103.4 | R472 H476 | R472-L474 PolarHBondContact O-N 3.44Å; L474-H476 VanDerWaalsContact C-N 3.29Å; L474-H476 PolarHBondContact O-N 3Å; L474-H476 PolarHBondContact O-ND1 3.34Å |
| 475 | D | 42.4 | Very low | 43.1 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | -33.4 | 107.1 | 156.1 | -111.3 | -26.1 | 0 | 0 | 0 | 105.1 | Q473 K477 | Q473-D475 PolarHBondContact O-N 3.43Å; D475-K477 PolarHBondContact O-N 3.43Å |
| 476 | H | 42.9 | Very low | 42.5 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -71 | 50.5 | 170.1 | -76.4 | 8.2 | 0 | 0 | 0 | 107.5 | L474 H478 | L474-H476 VanDerWaalsContact C-N 3.29Å; L474-H476 PolarHBondContact O-N 3Å; L474-H476 PolarHBondContact O-ND1 3.34Å; H476-H478 PolarHBondContact O-N 2.97Å |
| 477 | K | 43.1 | Very low | 42 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -70.6 | 90.9 | 158.5 | -116.1 | 179.5 | 178.1 | 175.6 | 0 | 104.5 | D475 I479 | D475-K477 PolarHBondContact O-N 3.43Å; K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.72Å |
| 478 | H | 42 | Very low | 41.5 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | 15.5 | 74.2 | 151.9 | -72.5 | 1.2 | 0 | 0 | 0 | 113.3 | H476 H480 | H476-H478 PolarHBondContact O-N 2.97Å; H478-H480 AromaticContact CD2-NE2 3.84Å; H478-H480 PolarHBondContact O-N 2.87Å |
| 479 | I | 41.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -73.9 | 88.4 | 155.4 | -58 | 176.1 | 0 | 0 | 0 | 102 | K477 C481 | K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.72Å; I479-C481 PolarHBondContact O-N 3.49Å |
| 480 | H | 40.5 | Very low | 41.2 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -54.3 | 101.9 | 162.6 | -76.3 | -83.7 | 0 | 0 | 0 | 105 | H478 V482 | H478-H480 AromaticContact CD2-NE2 3.84Å; H478-H480 PolarHBondContact O-N 2.87Å; H480-V482 PolarHBondContact O-N 3.43Å |
| 481 | C | 39.5 | Very low | 41 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | trans | -61.2 | 91.5 | 161.1 | -68.1 | 0 | 0 | 0 | 0 | 104.7 | I479 S483 | I479-C481 PolarHBondContact O-N 3.49Å; C481-S483 PolarHBondContact O-N 3.38Å |
| 482 | V | 43.2 | Very low | 40.8 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -66.3 | 88.1 | 164.4 | -177.4 | 0 | 0 | 0 | 0 | 104.1 | H480 | H480-V482 PolarHBondContact O-N 3.43Š|
| 483 | S | 38.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.4 | 166.4 | 31.3 | 0 | 0 | 0 | 0 | 106.8 | C481 | C481-S483 PolarHBondContact O-N 3.38Š|
| 484 | P | 39.2 | Very low | 40.5 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 143.3 | 176.7 | -20.4 | 30.2 | 0 | 0 | 0 | 109.4 | C486 | P484-C486 PolarHBondContact O-N 3.21Š|
| 485 | P | 42.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57 | 117.2 | 177.1 | 23.1 | -31 | 0 | 0 | 0 | 108.6 | L487 | P485-L487 PolarHBondContact O-N 3Š|
| 486 | C | 37.7 | Very low | 40.1 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -59.4 | 111.9 | 169.4 | -68.5 | 0 | 0 | 0 | 0 | 107.4 | P484 R488 | P484-C486 PolarHBondContact O-N 3.21Å; C486-R488 PolarHBondContact O-N 3.18Å |
| 487 | L | 35.1 | Very low | 39.8 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | -59.2 | 105 | 166.6 | -72.5 | 164 | 0 | 0 | 0 | 108.2 | P485 | P485-L487 PolarHBondContact O-N 3Š|
| 488 | R | 35.2 | Very low | 39.5 | Very low | 320 Ų | 320 | 147.5 Ų | 147.5 | 100% | 1.208 | 80% | 0.796 | S | S | * | * | | | trans | -151.7 | 0 | 150 | -107.1 | -173.3 | -172.3 | 161.3 | 3.2 | 110.7 | C486 | C486-R488 PolarHBondContact O-N 3.18Š|