| 1 | M | 30.6 | Very low | 35.6 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 100% | 1.158 | 75% | 0.751 | S | S | * | * | | | | 0 | 162.7 | 0 | -61.8 | 173.3 | -176.7 | 0 | 0 | 109.1 | | |
| 2 | S | 26.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | -136.3 | 94.3 | 176 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 3 | L | 31.6 | Very low | 37.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 67% | 0.665 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 146.3 | 172.7 | -66.5 | 170.2 | 0 | 0 | 0 | 110.2 | F5 | L3-F5 WeakPolarHBondContact O-CE2 3.39Š|
| 4 | V | 31.7 | Very low | 39 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 125.9 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 5 | F | 32.5 | Very low | 40.2 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 46% | 0.456 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -100 | 116.4 | -171.8 | -64 | -83.6 | 0 | 0 | 0 | 112.8 | L3 L41 I43 | L3-F5 WeakPolarHBondContact O-CE2 3.39Å; F5-L41 WeakPolarHBondContact CZ-O 3.26Å; F5-I43 HydrophobicContact CD1-CD1 3.94Å; F5-I43 HydrophobicContact CD1-CG1 4.01Å; F5-I43 HydrophobicContact CE1-CG1 4.1Å |
| 6 | S | 35.8 | Very low | 41.3 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 157.2 | 154.9 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 7 | K | 35.2 | Very low | 42.5 | Very low | 183 Ų | 183 | 122.7 Ų | 122.7 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | | | trans | -119.7 | 92.4 | 177.2 | -75.3 | -163.4 | 172.6 | -163.8 | 0 | 111.4 | | |
| 8 | Q | 41.9 | Very low | 43.7 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | | | trans | -112 | 148.6 | 158.8 | -73.1 | 176.1 | -22.3 | 0 | 0 | 108.9 | Y10 | Q8-Y10 HydrophobicContact CB-CE2 4.01Å; Q8-Y10 PolarHBondContact OE1-OH 3.48Å |
| 9 | N | 37.7 | Very low | 45.3 | Very low | 172 Ų | 172 | 119.8 Ų | 119.8 | 92% | 0.92 | 64% | 0.643 | S | S | * | * | | | trans | -85.9 | 112.6 | 178.2 | -66.3 | -23.6 | 0 | 0 | 0 | 108.2 | | |
| 10 | Y | 42.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -94.6 | 149.5 | 171.1 | -65.4 | -84.9 | 0 | 0 | 0 | 110.2 | Q8 F55 | Q8-Y10 HydrophobicContact CB-CE2 4.01Å; Q8-Y10 PolarHBondContact OE1-OH 3.48Å; Y10-F55 HydrophobicContact CE1-CB 4.18Å; Y10-F55 AromaticContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CG 4.44Å; Y10-F55 HydrophobicContact CE2-CB 4.38Å; Y10-F55 AromaticContact CZ-CD2 3.98Å |
| 11 | S | 46.4 | Very low | 47.7 | Very low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -68 | 166.5 | 178.4 | -161.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 12 | T | 51.8 | Low | 49.6 | Very low | 125 Ų | 125 | 107.7 Ų | 107.7 | 77% | 0.767 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 13 | P | 46.8 | Very low | 51.9 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 49% | 0.494 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 143.8 | -179.5 | 24.5 | -33.6 | 0 | 0 | 0 | 111.7 | D17 Q18 | P13-D17 HydrophobicContact CB-CB 3.8Å; P13-Q18 HydrophobicContact CB-CG 4.47Å; P13-Q18 HydrophobicContact CG-CG 4.28Å |
| 14 | H | 56.2 | Low | 53.9 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 161.2 | 171.9 | -170.1 | -114.4 | 0 | 0 | 0 | 110 | S16 D17 Q18 | H14-S16 PolarHBondContact ND1-OG 3.38Å; H14-S16 PolarHBondContact O-N 2.81Å; H14-S16 VanDerWaalsContact O-N 3.15Å; H14-D17 VanDerWaalsContact CB-OD2 3.26Å; H14-D17 WeakPolarHBondContact CB-OD2 3.32Å; H14-D17 PolarHBondContact N-OD2 3.1Å; H14-D17 WeakPolarHBondContact O-CB 3.31Å; H14-D17 PolarHBondContact O-N 2.8Å; H14-Q18 PolarHBondContact O-N 3.03Å |
| 15 | N | 56.2 | Low | 55.7 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -31.9 | -177.4 | -154.8 | 10.7 | 0 | 0 | 0 | 112.1 | Q18 E19 | N15-Q18 PolarHBondContact O-N 3.15Å; N15-E19 PolarHBondContact O-N 3.45Å |
| 16 | S | 58 | Low | 57.6 | Low | 61 Ų | 61 | 95.5 Ų | 95.5 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 171.5 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | H14 Q18 L20 | H14-S16 PolarHBondContact ND1-OG 3.38Å; H14-S16 PolarHBondContact O-N 2.81Å; H14-S16 VanDerWaalsContact O-N 3.15Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; S16-L20 WeakPolarHBondContact O-CG 3.27Å; S16-L20 PolarHBondContact O-N 3.18Å |
| 17 | D | 61.3 | Low | 59.5 | Low | 21 Ų | 21 | 95.6 Ų | 95.6 | 11% | 0.112 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -71.8 | -30.6 | 178.3 | -60.4 | -53.7 | 0 | 0 | 0 | 110.8 | P13 H14 L20 V21 Y46 I56 | P13-D17 HydrophobicContact CB-CB 3.8Å; H14-D17 VanDerWaalsContact CB-OD2 3.26Å; H14-D17 WeakPolarHBondContact CB-OD2 3.32Å; H14-D17 PolarHBondContact N-OD2 3.1Å; H14-D17 WeakPolarHBondContact O-CB 3.31Å; H14-D17 PolarHBondContact O-N 2.8Å; D17-L20 PolarHBondContact O-N 3.32Å; D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 3.05Å; D17-Y46 PolarHBondContact OD1-OH 3.36Å; D17-I56 HydrophobicContact CB-CD1 3.86Å; D17-I56 HydrophobicContact CB-CG1 4.1Å |
| 18 | Q | 64.9 | Low | 61.1 | Low | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 174.7 | -64.7 | -166 | 13.4 | 0 | 0 | 112.2 | P13 H14 N15 S16 L20 V21 K22 | P13-Q18 HydrophobicContact CB-CG 4.47Å; P13-Q18 HydrophobicContact CG-CG 4.28Å; H14-Q18 PolarHBondContact O-N 3.03Å; N15-Q18 PolarHBondContact O-N 3.15Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.02Å; Q18-V21 PolarHBondContact O-N 2.94Å; Q18-K22 WeakPolarHBondContact O-CB 3.41Å; Q18-K22 PolarHBondContact O-N 3.25Å |
| 19 | E | 73.6 | Confident | 62.2 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 176.9 | -175.6 | 56.6 | -148.8 | 0 | 0 | 111.6 | N15 K22 Q23 | N15-E19 PolarHBondContact O-N 3.45Å; E19-K22 PolarHBondContact O-N 3.39Å; E19-K22 IonicContact OE1-NZ 3.98Å; E19-K22 PolarHBondContact OE1-NZ 2.81Å; E19-K22 IonicContact OE2-NZ 3.41Å; E19-K22 PolarHBondContact OE2-NZ 3.15Å; E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.04Å; E19-Q23 PolarHBondContact OE1-NE2 2.75Å |
| 20 | L | 70.5 | Confident | 63.8 | Low | 82 Ų | 82 | 88.6 Ų | 88.6 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 170.8 | -72.1 | 172.2 | 0 | 0 | 0 | 112.6 | S16 D17 Q18 K22 Q23 L24 | S16-L20 WeakPolarHBondContact O-CG 3.27Å; S16-L20 PolarHBondContact O-N 3.18Å; D17-L20 PolarHBondContact O-N 3.32Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.02Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.22Å; L20-Q23 PolarHBondContact O-N 2.88Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.83Å |
| 21 | V | 70 | Confident | 65 | Low | 35 Ų | 35 | 88.9 Ų | 88.9 | 21% | 0.212 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | D17 Q18 T25 I56 | D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 3.05Å; Q18-V21 PolarHBondContact O-N 2.94Å; V21-T25 VanDerWaalsContact O-CB 3.27Å; V21-T25 WeakPolarHBondContact O-CB 3.18Å; V21-T25 PolarHBondContact O-N 3.36Å; V21-T25 PolarHBondContact O-OG1 3.2Å; V21-I56 HydrophobicContact CG2-CG2 3.43Å; V21-I56 VanDerWaalsContact CG2-CG2 3.43Å |
| 22 | K | 72.2 | Confident | 66 | Low | 103 Ų | 103 | 86.3 Ų | 86.3 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -50.2 | 176.3 | 169.8 | 168.4 | 154.1 | -90.8 | 0 | 111.9 | Q18 E19 L20 L24 T25 D26 | Q18-K22 WeakPolarHBondContact O-CB 3.41Å; Q18-K22 PolarHBondContact O-N 3.25Å; E19-K22 PolarHBondContact O-N 3.39Å; E19-K22 IonicContact OE1-NZ 3.98Å; E19-K22 PolarHBondContact OE1-NZ 2.81Å; E19-K22 IonicContact OE2-NZ 3.41Å; E19-K22 PolarHBondContact OE2-NZ 3.15Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.22Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.04Å; K22-T25 WeakPolarHBondContact O-CA 3.35Å; K22-T25 VanDerWaalsContact O-CB 3.3Å; K22-T25 WeakPolarHBondContact O-CB 3.27Å; K22-T25 PolarHBondContact O-N 3.36Å; K22-T25 VanDerWaalsContact O-N 3.07Å; K22-D26 PolarHBondContact O-N 3.13Å |
| 23 | Q | 74.3 | Confident | 66.2 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177 | -70.1 | 173.1 | 12.8 | 0 | 0 | 112.3 | E19 L20 D26 L27 | E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.04Å; E19-Q23 PolarHBondContact OE1-NE2 2.75Å; L20-Q23 PolarHBondContact O-N 2.88Å; Q23-D26 PolarHBondContact O-N 3.13Å; Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.1Å |
| 24 | L | 72.7 | Confident | 66.5 | Low | 55 Ų | 55 | 91.8 Ų | 91.8 | 29% | 0.288 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 173.1 | -168.7 | 78.2 | 0 | 0 | 0 | 112.1 | L20 K22 I28 L44 I58 | L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.83Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.04Å; L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CD1 3.32Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.35Å; L24-I28 PolarHBondContact O-N 2.83Å; L24-L44 HydrophobicContact CD2-CD2 4.17Å; L24-I58 HydrophobicContact CD2-CD1 3.57Å |
| 25 | T | 69.7 | Low | 66 | Low | 21 Ų | 21 | 87.6 Ų | 87.6 | 13% | 0.129 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 176.6 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | V21 K22 I28 R29 F62 | V21-T25 VanDerWaalsContact O-CB 3.27Å; V21-T25 WeakPolarHBondContact O-CB 3.18Å; V21-T25 PolarHBondContact O-N 3.36Å; V21-T25 PolarHBondContact O-OG1 3.2Å; K22-T25 WeakPolarHBondContact O-CA 3.35Å; K22-T25 VanDerWaalsContact O-CB 3.3Å; K22-T25 WeakPolarHBondContact O-CB 3.27Å; K22-T25 PolarHBondContact O-N 3.36Å; K22-T25 VanDerWaalsContact O-N 3.07Å; T25-I28 PolarHBondContact O-N 2.99Å; T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.35Å; T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CZ 3.59Å |
| 26 | D | 73 | Confident | 65.7 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 35% | 0.348 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73 | -33.4 | -178 | -66.7 | -36.7 | 0 | 0 | 0 | 111.8 | K22 Q23 I28 R29 Q30 | K22-D26 PolarHBondContact O-N 3.13Å; Q23-D26 PolarHBondContact O-N 3.13Å; D26-I28 PolarHBondContact O-N 2.82Å; D26-R29 PolarHBondContact O-N 2.89Å; D26-R29 WeakPolarHBondContact OD1-CD 3.36Å; D26-R29 IonicContact OD1-CZ 3.79Å; D26-R29 IonicContact OD1-NE 2.95Å; D26-R29 IonicContact OD1-NH1 3.76Å; D26-R29 PolarHBondContact OD1-NH1 3.49Å; D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 PolarHBondContact O-N 3.25Å |
| 27 | L | 75.2 | Confident | 65 | Low | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 166.3 | -91.7 | 167 | 0 | 0 | 0 | 112.7 | Q23 Q30 N31 | Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.1Å; L27-Q30 PolarHBondContact O-N 3.49Å; L27-N31 PolarHBondContact O-N 2.89Å; L27-N31 VanDerWaalsContact O-N 3.13Å; L27-N31 PolarHBondContact O-ND2 3.32Å |
| 28 | I | 68.5 | Low | 64 | Low | 54 Ų | 54 | 103.4 Ų | 103.4 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 177.5 | -69.9 | 164.6 | 0 | 0 | 0 | 110.8 | L24 T25 D26 N31 V32 V40 | L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CD1 3.32Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.35Å; L24-I28 PolarHBondContact O-N 2.83Å; T25-I28 PolarHBondContact O-N 2.99Å; D26-I28 PolarHBondContact O-N 2.82Å; I28-N31 PolarHBondContact O-N 2.86Å; I28-V32 PolarHBondContact O-N 2.96Å; I28-V40 HydrophobicContact CD1-CG1 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.38Å; I28-V40 HydrophobicContact CG2-CG2 4.29Å |
| 29 | R | 65.7 | Low | 63.4 | Low | 139 Ų | 139 | 103.1 Ų | 103.1 | 53% | 0.525 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.2 | -73.9 | 164.6 | 164.5 | 176.9 | -8.8 | 112 | T25 D26 N31 V32 | T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.35Å; D26-R29 PolarHBondContact O-N 2.89Å; D26-R29 WeakPolarHBondContact OD1-CD 3.36Å; D26-R29 IonicContact OD1-CZ 3.79Å; D26-R29 IonicContact OD1-NE 2.95Å; D26-R29 IonicContact OD1-NH1 3.76Å; D26-R29 PolarHBondContact OD1-NH1 3.49Å; R29-N31 VanDerWaalsContact C-N 3.34Å; R29-N31 PolarHBondContact O-N 3.49Å; R29-V32 PolarHBondContact O-N 3.5Å |
| 30 | Q | 70.6 | Confident | 62.5 | Low | 151 Ų | 151 | 101.1 Ų | 101.1 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -36.2 | -178 | -167.5 | 175.2 | 27 | 0 | 0 | 112.5 | D26 L27 | D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 PolarHBondContact O-N 3.25Å; L27-Q30 PolarHBondContact O-N 3.49Å |
| 31 | N | 68.5 | Low | 61.9 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -89.6 | -12.6 | -179.1 | -71.9 | -83.4 | 0 | 0 | 0 | 114.3 | L27 I28 R29 | L27-N31 PolarHBondContact O-N 2.89Å; L27-N31 VanDerWaalsContact O-N 3.13Å; L27-N31 PolarHBondContact O-ND2 3.32Å; I28-N31 PolarHBondContact O-N 2.86Å; R29-N31 VanDerWaalsContact C-N 3.34Å; R29-N31 PolarHBondContact O-N 3.49Å |
| 32 | V | 65.8 | Low | 61.9 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | | | trans | -134.3 | 62 | -179.5 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | I28 R29 Y34 S35 L38 | I28-V32 PolarHBondContact O-N 2.96Å; R29-V32 PolarHBondContact O-N 3.5Å; V32-Y34 PolarHBondContact O-N 3.39Å; V32-Y34 VanDerWaalsContact O-N 3.11Å; V32-S35 WeakPolarHBondContact CG1-OG 3.33Å; V32-S35 PolarHBondContact O-N 3.17Å; V32-S35 PolarHBondContact O-OG 3.22Å; V32-L38 HydrophobicContact CG1-CD1 4.14Å |
| 33 | P | 56.8 | Low | 61.4 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.4 | -173.6 | 23.7 | -34.5 | 0 | 0 | 0 | 114.6 | | |
| 34 | Y | 52.4 | Low | 61.4 | Low | 221 Ų | 221 | 96.7 Ų | 96.7 | 87% | 0.867 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -7.3 | -176.7 | -62.7 | -73.1 | 0 | 0 | 0 | 114.6 | V32 K36 | V32-Y34 PolarHBondContact O-N 3.39Å; V32-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact O-N 3.09Å |
| 35 | S | 47.3 | Very low | 61.8 | Low | 43 Ų | 43 | 97.2 Ų | 97.2 | 30% | 0.301 | 48% | 0.478 | S | S | . | . | | | trans | -88.5 | 72.6 | -171.1 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | V32 R37 | V32-S35 WeakPolarHBondContact CG1-OG 3.33Å; V32-S35 PolarHBondContact O-N 3.17Å; V32-S35 PolarHBondContact O-OG 3.22Å; S35-R37 PolarHBondContact O-N 3.28Å |
| 36 | K | 48.4 | Very low | 62.2 | Low | 212 Ų | 212 | 98.8 Ų | 98.8 | 92% | 0.922 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 16.1 | 169.2 | -62.7 | -174.1 | 178 | -179 | 0 | 115 | Y34 | Y34-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact O-N 3.09Å |
| 37 | R | 44.2 | Very low | 62.5 | Low | 237 Ų | 237 | 100.8 Ų | 100.8 | 89% | 0.894 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.3 | 9.6 | -168.5 | -79.3 | -167.1 | 164.8 | -171.7 | -4.4 | 115.7 | S35 D39 | S35-R37 PolarHBondContact O-N 3.28Å; R37-D39 PolarHBondContact O-N 3.49Å |
| 38 | L | 41.1 | Very low | 62.6 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | | | trans | -84.9 | 89.2 | 174.6 | -81.5 | 179.5 | 0 | 0 | 0 | 111.1 | V32 V40 | V32-L38 HydrophobicContact CG1-CD1 4.14Å; L38-V40 PolarHBondContact O-N 2.86Å |
| 39 | D | 51.4 | Low | 62.7 | Low | 108 Ų | 108 | 102.2 Ų | 102.2 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | | | trans | -63.1 | 99.9 | 156.6 | -76.5 | -28.9 | 0 | 0 | 0 | 108 | R37 L41 | R37-D39 PolarHBondContact O-N 3.49Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 HydrophobicContact CB-CG 4.38Å; D39-L41 PolarHBondContact O-N 3.48Å |
| 40 | V | 53.7 | Low | 63.1 | Low | 33 Ų | 33 | 101.8 Ų | 101.8 | 20% | 0.2 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 92.2 | 174 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | I28 L38 I58 S60 | I28-V40 HydrophobicContact CD1-CG1 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.38Å; I28-V40 HydrophobicContact CG2-CG2 4.29Å; L38-V40 PolarHBondContact O-N 2.86Å; V40-I58 HydrophobicContact CB-CG2 4.31Å; V40-I58 HydrophobicContact CG1-CG2 3.81Å; V40-S60 PolarHBondContact O-N 2.85Å; V40-S60 VanDerWaalsContact O-N 3.11Å |
| 41 | L | 58.7 | Low | 63.1 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.3 | 169.9 | -61.4 | 179 | 0 | 0 | 0 | 108.1 | F5 D39 I58 | F5-L41 WeakPolarHBondContact CZ-O 3.26Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 HydrophobicContact CB-CG 4.38Å; D39-L41 PolarHBondContact O-N 3.48Å; L41-I58 WeakPolarHBondContact CA-O 3.4Å |
| 42 | G | 69.1 | Low | 63.1 | Low | 9 Ų | 9 | 95.2 Ų | 95.2 | 9% | 0.093 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 165.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I58 | G42-I58 PolarHBondContact N-O 2.88Å; G42-I58 PolarHBondContact O-N 2.98Å |
| 43 | I | 62 | Low | 63.5 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.6 | 160.2 | -63.2 | 174.4 | 0 | 0 | 0 | 105.6 | F5 F55 I56 | F5-I43 HydrophobicContact CD1-CD1 3.94Å; F5-I43 HydrophobicContact CD1-CG1 4.01Å; F5-I43 HydrophobicContact CE1-CG1 4.1Å; I43-F55 HydrophobicContact CG2-CB 3.89Å; I43-F55 HydrophobicContact CG2-CD1 3.93Å; I43-F55 HydrophobicContact CG2-CG 4.37Å; I43-I56 CarbonylContact C-O 3.43Å; I43-I56 VanDerWaalsContact CA-O 3.32Å; I43-I56 WeakPolarHBondContact CA-O 3.45Å |
| 44 | L | 74.2 | Confident | 64.5 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108.9 | 173.8 | 174.9 | 64.5 | 0 | 0 | 0 | 108.5 | L24 F55 I56 I58 | L24-L44 HydrophobicContact CD2-CD2 4.17Å; L44-F55 WeakPolarHBondContact O-CA 3.11Å; L44-I56 HydrophobicContact CB-CB 4.35Å; L44-I56 PolarHBondContact N-O 2.96Å; L44-I56 PolarHBondContact O-N 3.12Å; L44-I58 HydrophobicContact CB-CD1 4.14Å |
| 45 | S | 81 | Confident | 65.6 | Low | 65 Ų | 65 | 90.8 Ų | 90.8 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127 | 164.2 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | E53 K54 | S45-E53 WeakPolarHBondContact CB-OE1 3.31Å; S45-K54 CarbonylContact C-O 3.48Å; S45-K54 WeakPolarHBondContact CA-O 3.37Å |
| 46 | Y | 78.2 | Confident | 66.8 | Low | 55 Ų | 55 | 89.3 Ų | 89.3 | 22% | 0.216 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.3 | 173.1 | 75.3 | -86.6 | 0 | 0 | 0 | 111.2 | D17 T48 K54 I56 | D17-Y46 PolarHBondContact OD1-OH 3.36Å; Y46-T48 HydrophobicContact CE2-CG2 4.13Å; Y46-K54 HydrophobicContact CD1-CB 3.91Å; Y46-K54 HydrophobicContact CD2-CB 4.48Å; Y46-K54 HydrophobicContact CE1-CB 3.54Å; Y46-K54 HydrophobicContact CE1-CD 4.15Å; Y46-K54 HydrophobicContact CE2-CB 4.16Å; Y46-K54 HydrophobicContact CE2-CD 3.85Å; Y46-K54 HydrophobicContact CG-CB 4.39Å; Y46-K54 VanDerWaalsContact CZ-CD 3.48Å; Y46-K54 PolarHBondContact N-O 3.37Å; Y46-K54 PolarHBondContact O-N 2.89Å; Y46-K54 WeakPolarHBondContact OH-CD 3.13Å; Y46-I56 HydrophobicContact CD1-CD1 4.15Å; Y46-I56 HydrophobicContact CE1-CD1 3.46Å; Y46-I56 VanDerWaalsContact CE1-CD1 3.46Å; Y46-I56 HydrophobicContact CE1-CG1 3.81Å |
| 47 | T | 79.5 | Confident | 67.8 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.7 | 174.7 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | C52 | T47-C52 WeakPolarHBondContact CA-O 3.5Å |
| 48 | T | 77.1 | Confident | 69 | Low | 27 Ų | 27 | 74.7 Ų | 74.7 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | | | trans | -74.4 | 162.1 | 167.6 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | Y46 N50 G51 C52 K54 | Y46-T48 HydrophobicContact CE2-CG2 4.13Å; T48-N50 PolarHBondContact O-N 3.43Å; T48-N50 VanDerWaalsContact O-N 3.14Å; T48-N50 PolarHBondContact OG1-N 3.36Å; T48-G51 PolarHBondContact O-N 3.27Å; T48-C52 PolarHBondContact N-O 3.04Å; T48-C52 WeakPolarHBondContact OG1-CB 3Å; T48-C52 PolarHBondContact OG1-N 2.79Å; T48-C52 PolarHBondContact OG1-O 3.44Å; T48-K54 HydrophobicContact CG2-CD 3.67Å; T48-K54 HydrophobicContact CG2-CG 4.17Å |
| 49 | D | 70.8 | Confident | 69.5 | Low | 153 Ų | 153 | 75 Ų | 75 | 82% | 0.818 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.1 | -42.9 | 161.9 | 55.9 | -9.4 | 0 | 0 | 0 | 114.3 | G51 | D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.11Å |
| 50 | N | 75.5 | Confident | 69.5 | Low | 130 Ų | 130 | 70.5 Ų | 70.5 | 70% | 0.695 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 11.9 | 179.3 | -66.5 | -69.1 | 0 | 0 | 0 | 114.4 | T48 C52 | T48-N50 PolarHBondContact O-N 3.43Å; T48-N50 VanDerWaalsContact O-N 3.14Å; T48-N50 PolarHBondContact OG1-N 3.36Å; N50-C52 PolarHBondContact O-N 3.32Å; N50-C52 VanDerWaalsContact O-N 3.13Å |
| 51 | G | 69.2 | Low | 68.8 | Low | 61 Ų | 61 | 73.5 Ų | 73.5 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 73.2 | -5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | T48 D49 E53 | T48-G51 PolarHBondContact O-N 3.27Å; D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.11Å; G51-E53 PolarHBondContact O-N 2.94Å |
| 52 | C | 69.3 | Low | 67.7 | Low | 73 Ų | 73 | 73.3 Ų | 73.3 | 49% | 0.493 | 41% | 0.405 | S | S | . | . | | | trans | -71.6 | 124 | 178.5 | -61 | 0 | 0 | 0 | 0 | 111.8 | T47 T48 N50 | T47-C52 WeakPolarHBondContact CA-O 3.5Å; T48-C52 PolarHBondContact N-O 3.04Å; T48-C52 WeakPolarHBondContact OG1-CB 3Å; T48-C52 PolarHBondContact OG1-N 2.79Å; T48-C52 PolarHBondContact OG1-O 3.44Å; N50-C52 PolarHBondContact O-N 3.32Å; N50-C52 VanDerWaalsContact O-N 3.13Å |
| 53 | E | 74.4 | Confident | 65.9 | Low | 115 Ų | 115 | 77.6 Ų | 77.6 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.6 | 167.5 | -167.8 | 179.9 | -165.4 | 0 | 0 | 110.3 | S45 G51 F55 | S45-E53 WeakPolarHBondContact CB-OE1 3.31Å; G51-E53 PolarHBondContact O-N 2.94Å; E53-F55 HydrophobicContact CG-CE1 4.22Å; E53-F55 HydrophobicContact CG-CE2 4.12Å; E53-F55 HydrophobicContact CG-CZ 3.72Å |
| 54 | K | 76.2 | Confident | 64.4 | Low | 92 Ų | 92 | 80.4 Ų | 80.4 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.2 | 177.3 | -74.9 | -176.2 | 174.7 | -179.4 | 0 | 110.6 | S45 Y46 T48 | S45-K54 CarbonylContact C-O 3.48Å; S45-K54 WeakPolarHBondContact CA-O 3.37Å; Y46-K54 HydrophobicContact CD1-CB 3.91Å; Y46-K54 HydrophobicContact CD2-CB 4.48Å; Y46-K54 HydrophobicContact CE1-CB 3.54Å; Y46-K54 HydrophobicContact CE1-CD 4.15Å; Y46-K54 HydrophobicContact CE2-CB 4.16Å; Y46-K54 HydrophobicContact CE2-CD 3.85Å; Y46-K54 HydrophobicContact CG-CB 4.39Å; Y46-K54 VanDerWaalsContact CZ-CD 3.48Å; Y46-K54 PolarHBondContact N-O 3.37Å; Y46-K54 PolarHBondContact O-N 2.89Å; Y46-K54 WeakPolarHBondContact OH-CD 3.13Å; T48-K54 HydrophobicContact CG2-CD 3.67Å; T48-K54 HydrophobicContact CG2-CG 4.17Å |
| 55 | F | 76.4 | Confident | 62.2 | Low | 73 Ų | 73 | 82.5 Ų | 82.5 | 32% | 0.32 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 107.6 | -178 | -59.2 | -82.3 | 0 | 0 | 0 | 110.7 | Y10 I43 L44 E53 | Y10-F55 HydrophobicContact CE1-CB 4.18Å; Y10-F55 AromaticContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CD2 3.99Å; Y10-F55 HydrophobicContact CE1-CG 4.44Å; Y10-F55 HydrophobicContact CE2-CB 4.38Å; Y10-F55 AromaticContact CZ-CD2 3.98Å; I43-F55 HydrophobicContact CG2-CB 3.89Å; I43-F55 HydrophobicContact CG2-CD1 3.93Å; I43-F55 HydrophobicContact CG2-CG 4.37Å; L44-F55 WeakPolarHBondContact O-CA 3.11Å; E53-F55 HydrophobicContact CG-CE1 4.22Å; E53-F55 HydrophobicContact CG-CE2 4.12Å; E53-F55 HydrophobicContact CG-CZ 3.72Å |
| 56 | I | 72.2 | Confident | 59.7 | Low | 12 Ų | 12 | 86 Ų | 86 | 6% | 0.062 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.7 | 169.4 | -82.3 | 165.1 | 0 | 0 | 0 | 108.8 | D17 V21 I43 L44 Y46 I58 | D17-I56 HydrophobicContact CB-CD1 3.86Å; D17-I56 HydrophobicContact CB-CG1 4.1Å; V21-I56 HydrophobicContact CG2-CG2 3.43Å; V21-I56 VanDerWaalsContact CG2-CG2 3.43Å; I43-I56 CarbonylContact C-O 3.43Å; I43-I56 VanDerWaalsContact CA-O 3.32Å; I43-I56 WeakPolarHBondContact CA-O 3.45Å; L44-I56 HydrophobicContact CB-CB 4.35Å; L44-I56 PolarHBondContact N-O 2.96Å; L44-I56 PolarHBondContact O-N 3.12Å; Y46-I56 HydrophobicContact CD1-CD1 4.15Å; Y46-I56 HydrophobicContact CE1-CD1 3.46Å; Y46-I56 VanDerWaalsContact CE1-CD1 3.46Å; Y46-I56 HydrophobicContact CE1-CG1 3.81Å; I56-I58 HydrophobicContact CG2-CG1 4.21Å |
| 57 | K | 69.8 | Low | 57.4 | Low | 128 Ų | 128 | 92.4 Ų | 92.4 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.1 | 170.2 | -168.3 | -171.9 | 179.6 | -142.4 | 0 | 109.6 | D59 | K57-D59 WeakPolarHBondContact CD-OD2 3.15Å; K57-D59 WeakPolarHBondContact CE-OD1 3.31Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.26Å; K57-D59 IonicContact NZ-OD1 2.73Å; K57-D59 PolarHBondContact NZ-OD1 3.42Å; K57-D59 IonicContact NZ-OD2 3.15Å; K57-D59 PolarHBondContact NZ-OD2 3.38Å |
| 58 | I | 69 | Low | 54.9 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 8% | 0.077 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 104.4 | 174 | -49.7 | 169.2 | 0 | 0 | 0 | 107.3 | L24 V40 L41 G42 L44 I56 S60 | L24-I58 HydrophobicContact CD2-CD1 3.57Å; V40-I58 HydrophobicContact CB-CG2 4.31Å; V40-I58 HydrophobicContact CG1-CG2 3.81Å; L41-I58 WeakPolarHBondContact CA-O 3.4Å; G42-I58 PolarHBondContact N-O 2.88Å; G42-I58 PolarHBondContact O-N 2.98Å; L44-I58 HydrophobicContact CB-CD1 4.14Å; I56-I58 HydrophobicContact CG2-CG1 4.21Å; I58-S60 WeakPolarHBondContact CG2-OG 3.16Å |
| 59 | D | 52.7 | Low | 52.7 | Low | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 81.8 | 169.3 | -75.3 | -41.4 | 0 | 0 | 0 | 109.1 | K57 | K57-D59 WeakPolarHBondContact CD-OD2 3.15Å; K57-D59 WeakPolarHBondContact CE-OD1 3.31Å; K57-D59 VanDerWaalsContact CE-OD2 3.27Å; K57-D59 WeakPolarHBondContact CE-OD2 3.26Å; K57-D59 IonicContact NZ-OD1 2.73Å; K57-D59 PolarHBondContact NZ-OD1 3.42Å; K57-D59 IonicContact NZ-OD2 3.15Å; K57-D59 PolarHBondContact NZ-OD2 3.38Å |
| 60 | S | 50.4 | Low | 50.7 | Low | 14 Ų | 14 | 91.8 Ų | 91.8 | 10% | 0.098 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 80.9 | -179.2 | -57.8 | 0 | 0 | 0 | 0 | 112 | V40 I58 F62 | V40-S60 PolarHBondContact O-N 2.85Å; V40-S60 VanDerWaalsContact O-N 3.11Å; I58-S60 WeakPolarHBondContact CG2-OG 3.16Å; S60-F62 PolarHBondContact O-N 3.34Å |
| 61 | S | 39.4 | Very low | 48.4 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 67% | 0.671 | 55% | 0.553 | S | S | * | * | | | trans | -86.2 | 96.7 | 169.9 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | S63 | S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.16Å |
| 62 | F | 36.2 | Very low | 46.5 | Very low | 94 Ų | 94 | 101.1 Ų | 101.1 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | | | trans | -82 | 91 | -177.2 | -68.7 | -71.4 | 0 | 0 | 0 | 112.7 | T25 S60 V64 | T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CZ 3.59Å; S60-F62 PolarHBondContact O-N 3.34Å; F62-V64 PolarHBondContact O-N 3.24Å |
| 63 | S | 29.4 | Very low | 44.8 | Very low | 99 Ų | 99 | 105.9 Ų | 105.9 | 69% | 0.692 | 59% | 0.585 | S | S | * | * | | | trans | -75.6 | 107.6 | 156.3 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | S61 T65 | S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 VanDerWaalsContact O-N 3.16Å; S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 3.26Å |
| 64 | V | 31.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | | | trans | -75.7 | 89.4 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | F62 N66 | F62-V64 PolarHBondContact O-N 3.24Å; V64-N66 VanDerWaalsContact CG1-OD1 3.31Å; V64-N66 WeakPolarHBondContact CG1-OD1 3.44Å |
| 65 | T | 27.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | | | trans | -78.3 | 108.6 | 159.9 | 43.7 | 0 | 0 | 0 | 0 | 107.9 | S63 E67 | S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 3.26Å; T65-E67 PolarHBondContact O-N 3.47Å |
| 66 | N | 29.4 | Very low | 38.4 | Very low | 137 Ų | 137 | 115.6 Ų | 115.6 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | | | trans | -73.7 | 66.6 | 173.6 | -93.5 | 15 | 0 | 0 | 0 | 110.8 | V64 G68 | V64-N66 VanDerWaalsContact CG1-OD1 3.31Å; V64-N66 WeakPolarHBondContact CG1-OD1 3.44Å; N66-G68 PolarHBondContact O-N 3.06Å |
| 67 | E | 28.6 | Very low | 36.3 | Very low | 190 Ų | 190 | 119.2 Ų | 119.2 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | | | trans | -76.4 | 79.7 | 159.9 | -65.6 | -162.4 | 157.9 | 0 | 0 | 107.9 | T65 | T65-E67 PolarHBondContact O-N 3.47Š|
| 68 | G | 27.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 120.2 Ų | 120.2 | 76% | 0.763 | 68% | 0.676 | S | S | * | * | | | trans | 179.4 | 30.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N66 | N66-G68 PolarHBondContact O-N 3.06Š|
| 69 | A | 30.2 | Very low | 32.8 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -130.5 | 110.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 70 | S | 28.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | | | trans | -70.3 | 140.5 | -163.9 | -51.5 | 0 | 0 | 0 | 0 | 114.9 | K72 | S70-K72 PolarHBondContact O-N 2.94Š|
| 71 | E | 27.5 | Very low | 30.8 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | 30.5 | 80 | 130 | -56.2 | 179.3 | 107 | 0 | 0 | 117.9 | | |
| 72 | K | 30 | Very low | 30.2 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -160.1 | 161.9 | 146.2 | -113.9 | 155.8 | -172.1 | 176.2 | 0 | 112.1 | S70 | S70-K72 PolarHBondContact O-N 2.94Š|
| 73 | L | 33.1 | Very low | 29.7 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | 61.3 | 72.5 | 177.9 | -66.8 | 162.1 | 0 | 0 | 0 | 114.8 | | |
| 74 | K | 28.7 | Very low | 29.7 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -62.9 | 140.2 | 149.8 | -58.7 | 172 | 178.3 | 176 | 0 | 109.5 | | |
| 75 | N | 29.4 | Very low | 29.4 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | 141.2 | 140.1 | 137.2 | -72.5 | -9.1 | 0 | 0 | 0 | 111.4 | | |
| 76 | L | 35.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | 65.2 | 113.1 | 171.9 | -58.7 | 140 | 0 | 0 | 0 | 112.6 | | |
| 77 | S | 27.4 | Very low | 29.3 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | | | cis | 60.2 | 130.6 | 32.7 | 100.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 78 | D | 36.1 | Very low | 29.4 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | cis | -129.1 | 170.6 | 37.1 | -66.6 | -42.6 | 0 | 0 | 0 | 117.8 | | |
| 79 | Y | 28.4 | Very low | 29.3 | Very low | 222 Ų | 222 | 143.6 Ų | 143.6 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | trans | -102.3 | -165.2 | 175.8 | -97.1 | -82.8 | 0 | 0 | 0 | 109.1 | | |
| 80 | P | 34.4 | Very low | 29.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | -131.5 | -178.7 | -29.4 | 29.6 | -9.1 | 0 | 0 | 0 | 113.7 | | |
| 81 | T | 27.7 | Very low | 29.2 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -57.5 | 154.1 | 149.9 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 82 | L | 26.6 | Very low | 29.2 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | -173.1 | 162 | 116.3 | -105.5 | 169 | 0 | 0 | 0 | 115.9 | | |
| 83 | N | 25.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -70 | 156.6 | 177.4 | -49.6 | -66.2 | 0 | 0 | 0 | 113 | | |
| 84 | S | 29.4 | Very low | 29 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | -153.2 | 142 | 136 | -89.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 85 | V | 25.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -79.6 | 145.3 | -179.1 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | I87 | V85-I87 HydrophobicContact CG1-CG1 4.17Š|
| 86 | K | 29.2 | Very low | 29.4 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | | | trans | -143.9 | 138 | 147.7 | -154.2 | 165.5 | -174 | 177.1 | 0 | 112.4 | | |
| 87 | I | 26.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -105.9 | 126 | -180 | -61.6 | 168 | 0 | 0 | 0 | 108.5 | V85 | V85-I87 HydrophobicContact CG1-CG1 4.17Š|
| 88 | S | 29.6 | Very low | 29.7 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -158.4 | 120.3 | 153.9 | -67.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 89 | A | 26.4 | Very low | 29.4 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | | | | 80.4 | 133.5 | 53.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 90 | D | 27.9 | Very low | 29.8 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 83.9 | 128.2 | 152.3 | -63.6 | -35 | 0 | 0 | 0 | 123.6 | | |
| 91 | Y | 27.5 | Very low | 29.6 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | 81.3 | 101.5 | 143.4 | -87.8 | -117.5 | 0 | 0 | 0 | 123.2 | | |
| 92 | N | 27.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | | | | 31.5 | 119 | 109.7 | -63.1 | -19.8 | 0 | 0 | 0 | 120.1 | | |
| 93 | S | 31.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | | -174.3 | 130.9 | 113.9 | -79.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 94 | S | 29.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | cis | 82.3 | 101.7 | 49.4 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 95 | K | 33.1 | Very low | 31.2 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -171.5 | 119.1 | 135.4 | -97.9 | -159.8 | 176.9 | -173.2 | 0 | 109.6 | | |
| 96 | I | 32.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | | 73 | 105.7 | 91.6 | -70.6 | 179.9 | 0 | 0 | 0 | 111.1 | | |
| 97 | E | 29.7 | Very low | 32.1 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | | 78.3 | 161.2 | 74.4 | -102.3 | -164.1 | 138.8 | 0 | 0 | 113.9 | | |
| 98 | P | 37.9 | Very low | 32.4 | Very low | 90 Ų | 90 | 136 Ų | 136 | 58% | 0.584 | 73% | 0.733 | S | S | * | * | | | cis | -135.3 | -174.5 | -3.4 | 31.5 | -8.3 | 0 | 0 | 0 | 115.6 | | |
| 99 | T | 31.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | trans | 59.1 | 155.7 | 146.9 | 43.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 100 | D | 35.2 | Very low | 32.9 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | cis | -136.3 | 164.9 | 10.3 | -89.7 | -56.1 | 0 | 0 | 0 | 113.2 | | |
| 101 | D | 31 | Very low | 33.3 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -80.6 | 153.5 | 167.6 | -76.9 | -77.5 | 0 | 0 | 0 | 113.4 | | |
| 102 | Y | 34.2 | Very low | 33.4 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | | 177.4 | 156.2 | 107.5 | -137.2 | -116.6 | 0 | 0 | 0 | 112.4 | | |
| 103 | P | 42.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | trans | -107.9 | -143.4 | -177.8 | 41.8 | -32.9 | 0 | 0 | 0 | 113.2 | | |
| 104 | Q | 34.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | 82 | 146.5 | -177.4 | -56 | -171.9 | -99.5 | 0 | 0 | 115.2 | | |
| 105 | D | 30.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | cis | -163.5 | -161.6 | -15.6 | -100.8 | -21.2 | 0 | 0 | 0 | 107.8 | | |
| 106 | I | 36.9 | Very low | 33.8 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | 80 | 127.8 | 156.9 | -57.6 | 175.7 | 0 | 0 | 0 | 116.1 | | |
| 107 | E | 36.8 | Very low | 34.1 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | cis | -157.5 | 164.1 | -10.3 | -114.6 | 178 | 151.8 | 0 | 0 | 110.8 | | |
| 108 | S | 32.9 | Very low | 34.2 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | 21.4 | 154.7 | 140.4 | -44.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 109 | E | 36 | Very low | 34.1 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | cis | -136.6 | 137.2 | 11.4 | -62.5 | 172.6 | 114 | 0 | 0 | 109.2 | | |
| 110 | Q | 31.4 | Very low | 34.3 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | | 35.7 | 113.9 | 88.5 | -61.4 | -164 | 27.6 | 0 | 0 | 117.1 | | |
| 111 | H | 36.7 | Very low | 34.7 | Very low | 178 Ų | 178 | 132 Ų | 132 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | -175 | 164.2 | 108.3 | -95.5 | -60.1 | 0 | 0 | 0 | 111.9 | | |
| 112 | S | 29.3 | Very low | 35.3 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | trans | -124.2 | 147.7 | -160.5 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 113 | S | 29.9 | Very low | 35.5 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | 57.8 | 133.1 | 149.8 | 63.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 114 | T | 31.8 | Very low | 35.5 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | | 174.7 | 167.5 | 105.1 | 35.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 115 | H | 35.8 | Very low | 35.8 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 70.9 | 92.5 | 157.4 | -70 | -61 | 0 | 0 | 0 | 122.7 | | |
| 116 | S | 32.2 | Very low | 36.5 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -65.9 | 177.5 | 128.4 | -35.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 117 | P | 39.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | cis | -141.7 | -173.3 | 5.8 | 44.2 | -26.1 | 0 | 0 | 0 | 116.3 | | |
| 118 | G | 31.5 | Very low | 36.5 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | | 127.1 | 133.6 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 119 | A | 35 | Very low | 36.5 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | 72.4 | 89.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 120 | S | 35.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | | 61 | 130.3 | 113.7 | -53.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 121 | P | 44 | Very low | 36.7 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -106.6 | 168.6 | 168.6 | 40.8 | -34.3 | 0 | 0 | 0 | 115.1 | | |
| 122 | P | 45.1 | Very low | 36.8 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | | | trans | -119.5 | 170.6 | 165 | 40.5 | -30.1 | 0 | 0 | 0 | 113.5 | | |
| 123 | L | 36.9 | Very low | 37.1 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | cis | -161.6 | 161.4 | -29.3 | -108 | 173.5 | 0 | 0 | 0 | 109.2 | | |
| 124 | L | 43.6 | Very low | 37.3 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -92.6 | 168 | 170.5 | -66.7 | 155 | 0 | 0 | 0 | 110.9 | | |
| 125 | P | 40.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | | -149.5 | -178.2 | 102 | 37.8 | -19.1 | 0 | 0 | 0 | 113.5 | | |
| 126 | P | 44.2 | Very low | 37.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | cis | -124.5 | -118 | 10.6 | 34.6 | -12.1 | 0 | 0 | 0 | 115.5 | | |
| 127 | S | 37.2 | Very low | 37.5 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -170.5 | -158.4 | -157.8 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 128 | I | 36.3 | Very low | 37.2 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | trans | 103.1 | 125.9 | 169.9 | -57.1 | 177.2 | 0 | 0 | 0 | 115.2 | | |
| 129 | I | 33.2 | Very low | 37.3 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | cis | -168.5 | 135.3 | -30 | -119.4 | 163.9 | 0 | 0 | 0 | 111.1 | | |
| 130 | Q | 36.6 | Very low | 37.4 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | | | trans | 43.8 | -177.4 | 149.3 | -54.5 | 167.9 | -80.7 | 0 | 0 | 119.8 | | |
| 131 | L | 35.3 | Very low | 37.5 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | | | cis | -154.1 | 158.6 | -1.8 | -124.5 | 137.5 | 0 | 0 | 0 | 105.6 | K133 | L131-K133 HydrophobicContact CD2-CD 4.16Å; L131-K133 HydrophobicContact CD2-CG 4.44Å |
| 132 | G | 38 | Very low | 37.1 | Very low | 62 Ų | 62 | 133.4 Ų | 133.4 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | cis | 143.9 | 159.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 133 | K | 36.3 | Very low | 37.1 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | | | trans | 74.2 | 154.8 | 164.6 | -59.5 | 172.4 | -178.9 | 175.8 | 0 | 117.8 | L131 | L131-K133 HydrophobicContact CD2-CD 4.16Å; L131-K133 HydrophobicContact CD2-CG 4.44Å |
| 134 | A | 34.8 | Very low | 37 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | cis | -162.2 | 145.7 | -23.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 135 | G | 33.9 | Very low | 36.7 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | | 123.8 | 164.3 | 85.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 136 | R | 33.8 | Very low | 36.4 | Very low | 224 Ų | 224 | 131.9 Ų | 131.9 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | | | cis | -168.5 | 148.3 | 2.1 | -119.7 | -164.3 | 178.7 | 179.6 | -2.1 | 109.4 | | |
| 137 | T | 36.6 | Very low | 36 | Very low | 103 Ų | 103 | 134 Ų | 134 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | | | trans | 54 | 146.7 | 142.8 | 60.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 138 | D | 33 | Very low | 36.1 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | cis | -166.9 | 169.4 | -9.1 | -100 | -21.2 | 0 | 0 | 0 | 110.9 | | |
| 139 | E | 32.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | 30.2 | 134.3 | 160.4 | -51.3 | -149.6 | 94.3 | 0 | 0 | 122.1 | | |
| 140 | K | 37.3 | Very low | 36 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | | | cis | 75.5 | 138.7 | 36.4 | -153.5 | -104.8 | 174.2 | -145.3 | 0 | 111.9 | D142 | K140-D142 IonicContact NZ-OD2 3.3Å; K140-D142 PolarHBondContact NZ-OD2 3.12Å; K140-D142 VanDerWaalsContact NZ-OD2 3.15Å |
| 141 | P | 37.4 | Very low | 35.6 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | | | cis | -133.5 | -137.7 | -12.3 | 44 | -24.6 | 0 | 0 | 0 | 113 | | |
| 142 | D | 37.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | cis | -153 | 169.3 | -14.5 | -109.3 | -47.5 | 0 | 0 | 0 | 107.3 | K140 | K140-D142 IonicContact NZ-OD2 3.3Å; K140-D142 PolarHBondContact NZ-OD2 3.12Å; K140-D142 VanDerWaalsContact NZ-OD2 3.15Å |
| 143 | P | 44.2 | Very low | 35.4 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | trans | -113 | -176.2 | -166.6 | 43 | -36.7 | 0 | 0 | 0 | 116.4 | | |
| 144 | N | 34.7 | Very low | 35.4 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | trans | 177 | 168 | 139.5 | -91.7 | -26.6 | 0 | 0 | 0 | 116.1 | | |
| 145 | E | 37.2 | Very low | 35.2 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | | | trans | 70.2 | 154 | 165.4 | -56.2 | -167.6 | 162.1 | 0 | 0 | 120.6 | | |
| 146 | S | 35.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | | -167.2 | 167.4 | -60.3 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 147 | E | 35 | Very low | 35.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | | | trans | 61.8 | 120.7 | 162.1 | -50.2 | -153.7 | 108.2 | 0 | 0 | 121.5 | | |
| 148 | H | 39.6 | Very low | 35 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | | -176.8 | 157.3 | 98.6 | -106 | -80.1 | 0 | 0 | 0 | 111.7 | | |
| 149 | A | 32.3 | Very low | 34.9 | Very low | 84 Ų | 84 | 141 Ų | 141 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | trans | -131.1 | 160.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 150 | L | 34.7 | Very low | 35 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -150.6 | 144.9 | 154.2 | -142.6 | 82.3 | 0 | 0 | 0 | 110.9 | I152 | L150-I152 HydrophobicContact CD2-CD1 4.49Š|
| 151 | V | 28.5 | Very low | 34.6 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | | | trans | -131.1 | 130.1 | 179.2 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 152 | I | 34.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | trans | -141.1 | 122.4 | 166.2 | -58.3 | -178.1 | 0 | 0 | 0 | 108.9 | L150 | L150-I152 HydrophobicContact CD2-CD1 4.49Š|
| 153 | Q | 33.9 | Very low | 34.1 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | | | trans | -101.3 | 163.2 | 152.7 | -71.5 | -174.2 | -5.8 | 0 | 0 | 108.3 | | |
| 154 | P | 36.4 | Very low | 33.3 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | | | | -138.6 | 166.7 | 115.5 | 37.9 | -27.8 | 0 | 0 | 0 | 114.4 | | |
| 155 | S | 32.2 | Very low | 33.3 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | | | trans | -97.6 | 153.7 | 171 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 156 | D | 34.9 | Very low | 32.9 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | | | trans | -169.2 | 114.8 | 144 | -90.3 | -33.1 | 0 | 0 | 0 | 106.4 | | |
| 157 | V | 32.2 | Very low | 32.8 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.655 | 70% | 0.699 | S | S | * | * | | | | 68.4 | 101.6 | 69.6 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 158 | F | 31.8 | Very low | 32.6 | Very low | 197 Ų | 197 | 125.8 Ų | 125.8 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | | | | -166.4 | 153.4 | 113.8 | -116.5 | -78.1 | 0 | 0 | 0 | 113.5 | | |
| 159 | Q | 31.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 121.7 Ų | 121.7 | 77% | 0.771 | 69% | 0.686 | S | S | * | * | | | trans | -77.9 | 166.9 | 169 | -90.6 | 161 | -68.5 | 0 | 0 | 110.8 | | |
| 160 | S | 33.2 | Very low | 32.2 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | | | cis | -140.3 | 175.7 | 40.2 | -63 | 0 | 0 | 0 | 0 | 116 | | |
| 161 | T | 30.1 | Very low | 32.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | | | trans | -61 | -171 | -179.7 | 33.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 162 | E | 32.7 | Very low | 32.3 | Very low | 47 Ų | 47 | 134.9 Ų | 134.9 | 22% | 0.22 | 69% | 0.694 | C | S | . | * | | | | 170.6 | 153.8 | 91.4 | -80.5 | -64.4 | 60.5 | 0 | 0 | 108.6 | I688 P689 S690 S691 | E162-I688 HydrophobicContact CG-CB 4.32Å; E162-I688 HydrophobicContact CG-CG1 4.4Å; E162-I688 HydrophobicContact CG-CG2 4.13Å; E162-I688 VanDerWaalsContact OE2-C 3.25Å; E162-I688 WeakPolarHBondContact OE2-CG2 3.3Å; E162-P689 CarbonylContact C-O 3.54Å; E162-P689 WeakPolarHBondContact CA-O 3.39Å; E162-P689 HydrophobicContact CB-CB 4.48Å; E162-P689 VanDerWaalsContact CB-CD 3.4Å; E162-P689 HydrophobicContact CB-CG 3.74Å; E162-P689 WeakPolarHBondContact CB-O 3.25Å; E162-P689 HydrophobicContact CG-CG 4.41Å; E162-P689 WeakPolarHBondContact OE2-CA 3.4Å; E162-P689 VanDerWaalsContact OE2-N 3.09Å; E162-S690 WeakPolarHBondContact OE1-CA 3.48Å; E162-S690 WeakPolarHBondContact OE1-CB 3.43Å; E162-S690 PolarHBondContact OE1-OG 2.94Å; E162-S690 WeakPolarHBondContact OE2-CB 3.48Å; E162-S690 PolarHBondContact OE2-N 2.92Å; E162-S690 PolarHBondContact OE2-OG 3.24Å; E162-S691 PolarHBondContact OE1-N 3.28Å |
| 163 | C | 29.5 | Very low | 32.1 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 43% | 0.426 | 69% | 0.686 | S | S | . | * | | | trans | -122.8 | 161.8 | -161.9 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | P689 S691 | C163-P689 PolarHBondContact N-O 3.46Å; C163-S691 VanDerWaalsContact SG-CB 3.57Å |
| 164 | E | 28 | Very low | 32.3 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | | | trans | 176.1 | 170.7 | 131.4 | -104.2 | -59.2 | 112.1 | 0 | 0 | 113.8 | | |
| 165 | A | 34.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | | | trans | 69.1 | 94.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 166 | D | 29 | Very low | 32.7 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | | | trans | -60.4 | 135.9 | 157.2 | -103.3 | -60.9 | 0 | 0 | 0 | 113.1 | N168 | D166-N168 PolarHBondContact OD1-ND2 3.35Å; D166-N168 VanDerWaalsContact OD1-ND2 3.17Å |
| 167 | D | 34.9 | Very low | 32.6 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | | | trans | -146 | 75.8 | 137 | -169 | -20.7 | 0 | 0 | 0 | 109.3 | T169 | D167-T169 PolarHBondContact O-N 3.16Å; D167-T169 PolarHBondContact O-OG1 3Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 WeakPolarHBondContact OD1-CB 3.29Å; D167-T169 PolarHBondContact OD1-N 3.24Å; D167-T169 PolarHBondContact OD1-OG1 3.32Å |
| 168 | N | 30.3 | Very low | 33 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | | | trans | -70.5 | 73.1 | 168 | -94.7 | -70.2 | 0 | 0 | 0 | 110.4 | D166 Y170 | D166-N168 PolarHBondContact OD1-ND2 3.35Å; D166-N168 VanDerWaalsContact OD1-ND2 3.17Å; N168-Y170 PolarHBondContact O-N 3.3Å |
| 169 | T | 36.4 | Very low | 33 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | | | trans | -59.8 | 109.1 | -167.7 | -37 | 0 | 0 | 0 | 0 | 111.5 | D167 R171 | D167-T169 PolarHBondContact O-N 3.16Å; D167-T169 PolarHBondContact O-OG1 3Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 WeakPolarHBondContact OD1-CB 3.29Å; D167-T169 PolarHBondContact OD1-N 3.24Å; D167-T169 PolarHBondContact OD1-OG1 3.32Å; T169-R171 PolarHBondContact O-N 3.17Å |
| 170 | Y | 27.7 | Very low | 33.4 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | | | trans | -55 | 94.6 | -179.2 | -110.2 | -100.1 | 0 | 0 | 0 | 111.3 | N168 R172 | N168-Y170 PolarHBondContact O-N 3.3Å; Y170-R172 HydrophobicContact CD1-CG 4.09Å; Y170-R172 PolarHBondContact O-N 3.39Å |
| 171 | R | 32.1 | Very low | 33.4 | Very low | 244 Ų | 244 | 136.6 Ų | 136.6 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | | | trans | -71.3 | 65.2 | 168.3 | -74.4 | -165.7 | 175 | -160.5 | -0.1 | 110.4 | T169 C173 | T169-R171 PolarHBondContact O-N 3.17Å; R171-C173 PolarHBondContact O-N 3.2Å |
| 172 | R | 32.5 | Very low | 33.6 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | | | trans | -50.5 | 123.2 | -179.7 | -96.3 | -180 | 173.6 | 156.3 | -0.9 | 109.9 | Y170 R174 | Y170-R172 HydrophobicContact CD1-CG 4.09Å; Y170-R172 PolarHBondContact O-N 3.39Å; R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 3.47Å |
| 173 | C | 30.5 | Very low | 33.6 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 58% | 0.581 | 69% | 0.691 | S | S | * | * | | | trans | -65.4 | 81.5 | 177.9 | -79.2 | 0 | 0 | 0 | 0 | 112 | R171 R175 K176 | R171-C173 PolarHBondContact O-N 3.2Å; C173-R175 PolarHBondContact O-N 3.43Å; C173-K176 HydrophobicContact CB-CD 4.4Å; C173-K176 PolarHBondContact O-N 3.22Å |
| 174 | R | 38.9 | Very low | 33.9 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 10.5 | -179.8 | -125.2 | 176.7 | -176.4 | 176.3 | 0.8 | 115.1 | R172 K176 | R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 3.47Å; R174-K176 VanDerWaalsContact C-N 3.32Å |
| 175 | R | 39.9 | Very low | 34.1 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 13.8 | 171.2 | -58.8 | -169 | -171.8 | -168.6 | 5.1 | 113.5 | C173 | C173-R175 PolarHBondContact O-N 3.43Š|
| 176 | K | 36.2 | Very low | 34.1 | Very low | 83 Ų | 83 | 152 Ų | 152 | 36% | 0.361 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -123.6 | 24.6 | -173.9 | -63.1 | 176.5 | -179.5 | 176.3 | 0 | 113.4 | C173 R174 V961 S962 S964 | C173-K176 HydrophobicContact CB-CD 4.4Å; C173-K176 PolarHBondContact O-N 3.22Å; R174-K176 VanDerWaalsContact C-N 3.32Å; K176-V961 HydrophobicContact CB-CG1 4.46Å; K176-S962 WeakPolarHBondContact CD-OG 3.27Å; K176-S962 VanDerWaalsContact CE-CB 3.45Å; K176-S962 WeakPolarHBondContact CE-OG 3.49Å; K176-S964 PolarHBondContact NZ-OG 2.8Å |
| 177 | C | 32 | Very low | 34.2 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 72% | 0.716 | 70% | 0.695 | S | S | * | * | | | trans | -133.9 | 52.3 | -175.4 | -58 | 0 | 0 | 0 | 0 | 112.8 | | |
| 178 | R | 40.5 | Very low | 34.2 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 89% | 0.894 | 70% | 0.703 | S | S | * | * | | | trans | -138.5 | 63 | 166.4 | -88.3 | -165.8 | 172.4 | -179.7 | -2.5 | 110.7 | | |
| 179 | N | 32.4 | Very low | 34.2 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | | | trans | -159.6 | 86.4 | 154.9 | -106.9 | 10.6 | 0 | 0 | 0 | 108 | K181 D959 | N179-K181 PolarHBondContact O-N 3.37Å; N179-D959 PolarHBondContact ND2-OD1 2.87Å |
| 180 | P | 40.3 | Very low | 34.3 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -74 | 111.8 | 154.6 | 30.6 | -26.7 | 0 | 0 | 0 | 106.9 | R182 | P180-R182 PolarHBondContact O-N 3.38Š|
| 181 | K | 34.1 | Very low | 34.8 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 29% | 0.291 | 72% | 0.716 | S | S | . | * | | | trans | -58.5 | 124.6 | 161.2 | -80.8 | -160.4 | -167.4 | 62.8 | 0 | 107.1 | N179 Q183 E957 N958 D959 | N179-K181 PolarHBondContact O-N 3.37Å; K181-Q183 HydrophobicContact CB-CG 4.27Å; K181-Q183 HydrophobicContact CD-CG 3.99Å; K181-Q183 PolarHBondContact O-N 3.2Å; K181-Q183 VanDerWaalsContact O-N 3.17Å; K181-E957 WeakPolarHBondContact CE-O 3.47Å; K181-N958 PolarHBondContact NZ-OD1 2.88Å; K181-D959 WeakPolarHBondContact CE-OD2 3.18Å; K181-D959 IonicContact NZ-OD2 2.74Å; K181-D959 PolarHBondContact NZ-OD2 3.36Å |
| 182 | R | 33.3 | Very low | 34.9 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | | | trans | -80.1 | 79.4 | 150.2 | -82.7 | -174.2 | 164.1 | -122.7 | -4.1 | 107.2 | P180 V184 | P180-R182 PolarHBondContact O-N 3.38Å; R182-V184 VanDerWaalsContact C-N 3.35Å; R182-V184 PolarHBondContact O-N 3.36Å; R182-V184 VanDerWaalsContact O-N 3.13Å |
| 183 | Q | 32.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | | | trans | -62.1 | 108.7 | 150.6 | -75.9 | 178.7 | -74.8 | 0 | 0 | 105.4 | K181 F185 | K181-Q183 HydrophobicContact CB-CG 4.27Å; K181-Q183 HydrophobicContact CD-CG 3.99Å; K181-Q183 PolarHBondContact O-N 3.2Å; K181-Q183 VanDerWaalsContact O-N 3.17Å; Q183-F185 HydrophobicContact CB-CD2 4.14Å; Q183-F185 HydrophobicContact CB-CE2 4.19Å; Q183-F185 PolarHBondContact O-N 3.35Å |
| 184 | V | 35.9 | Very low | 35.4 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | | | trans | -76.6 | 106.5 | 161.7 | 179.4 | 0 | 0 | 0 | 0 | 104.6 | R182 D186 | R182-V184 VanDerWaalsContact C-N 3.35Å; R182-V184 PolarHBondContact O-N 3.36Å; R182-V184 VanDerWaalsContact O-N 3.13Å; V184-D186 PolarHBondContact O-N 3.34Å |
| 185 | F | 33.1 | Very low | 35.7 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | | | trans | -80.2 | 98.7 | 165 | -91.3 | -92.4 | 0 | 0 | 0 | 106.8 | Q183 S187 | Q183-F185 HydrophobicContact CB-CD2 4.14Å; Q183-F185 HydrophobicContact CB-CE2 4.19Å; Q183-F185 PolarHBondContact O-N 3.35Å; F185-S187 PolarHBondContact O-N 3.19Å |
| 186 | D | 33.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | | | trans | -72.3 | 82.3 | 165.3 | -65.6 | -53.2 | 0 | 0 | 0 | 107.7 | V184 | V184-D186 PolarHBondContact O-N 3.34Š|
| 187 | S | 31.9 | Very low | 35.9 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | | | trans | -154.3 | 36.3 | -171.1 | -60.5 | 0 | 0 | 0 | 0 | 114.7 | F185 S189 | F185-S187 PolarHBondContact O-N 3.19Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 3.11Å; S187-S189 VanDerWaalsContact O-N 3.11Å |
| 188 | D | 35 | Very low | 36.2 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | | | trans | -82.4 | 76.2 | 165 | -76.5 | -39 | 0 | 0 | 0 | 110.3 | H190 | D188-H190 PolarHBondContact O-N 3.16Š|
| 189 | S | 31.1 | Very low | 36.3 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | | | trans | -83.9 | 79.2 | 169.4 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | S187 A191 | S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 3.11Å; S187-S189 VanDerWaalsContact O-N 3.11Å; S189-A191 PolarHBondContact O-N 3.17Å |
| 190 | H | 38.6 | Very low | 36.7 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | -79.2 | 111.6 | 165.8 | -95.8 | -81.4 | 0 | 0 | 0 | 110.1 | D188 | D188-H190 PolarHBondContact O-N 3.16Š|
| 191 | A | 38 | Very low | 36.7 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -61.8 | 152.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | S189 | S189-A191 PolarHBondContact O-N 3.17Š|
| 192 | G | 34.1 | Very low | 37 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 74% | 0.735 | S | S | * | * | | | trans | -69.2 | 158.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 193 | D | 38.1 | Very low | 37.4 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | | | trans | -122.6 | 147.5 | 153 | -145.1 | -17.4 | 0 | 0 | 0 | 107.2 | | |
| 194 | S | 34.9 | Very low | 37.7 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | -148.8 | 91.5 | -166.2 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 195 | D | 44.1 | Very low | 37.9 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -130.4 | 154.4 | 173.3 | -78.8 | -38.8 | 0 | 0 | 0 | 110.5 | | |
| 196 | V | 41.2 | Very low | 38.3 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | cis | -172.2 | 132.4 | -39.9 | 117.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 197 | E | 38.8 | Very low | 38.6 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | | | trans | 63.7 | 168.8 | 161.2 | -66.4 | -59.1 | 151.2 | 0 | 0 | 122.5 | | |
| 198 | D | 39.6 | Very low | 39 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | 72.5 | 132.5 | 172.2 | -81.9 | -2.9 | 0 | 0 | 0 | 120.7 | | |
| 199 | V | 41.9 | Very low | 38.9 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | | | cis | -166.9 | 143.3 | -25.9 | 98 | 0 | 0 | 0 | 0 | 110.7 | | |
| 200 | T | 40.4 | Very low | 39.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | trans | 58.2 | 167.5 | 164.7 | 58.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 201 | T | 41.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | | | cis | -162.2 | 162.6 | -26.1 | 35.4 | 0 | 0 | 0 | 0 | 105.2 | | |
| 202 | D | 39.6 | Very low | 38.9 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | cis | -163.8 | -164.4 | -18.5 | -98.6 | 2.8 | 0 | 0 | 0 | 106 | | |
| 203 | V | 41.3 | Very low | 38.9 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | trans | 76.2 | 132.3 | 164.9 | -169.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 204 | E | 38.9 | Very low | 39 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | | | cis | -175.3 | 173.4 | -41.1 | -112.8 | 176.4 | 134.6 | 0 | 0 | 107.5 | | |
| 205 | D | 40.1 | Very low | 38.8 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | | | trans | 64.2 | 138.9 | 159.4 | -90.3 | -16.5 | 0 | 0 | 0 | 120.2 | | |
| 206 | S | 41.5 | Very low | 38.4 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | | | cis | -165.5 | 171.5 | -14.6 | -139.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 207 | I | 40.6 | Very low | 37.9 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | trans | 66.3 | 132.4 | 153.8 | -68.8 | 160.8 | 0 | 0 | 0 | 117.4 | | |
| 208 | Q | 40.3 | Very low | 37.9 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | cis | -173.8 | 145.9 | -25.9 | -126.7 | 166.2 | 19.9 | 0 | 0 | 109.1 | | |
| 209 | T | 32.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 131 Ų | 131 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | 39.6 | 143.3 | 143.2 | 53.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 210 | T | 37 | Very low | 36.8 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | | | cis | -165.9 | 163.5 | 25.8 | -10.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 211 | K | 31.1 | Very low | 36.5 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 81% | 0.809 | 73% | 0.726 | S | S | * | * | | | trans | -3.5 | 150.2 | 148.9 | -54.2 | 162 | -176.4 | 176.3 | 0 | 117.8 | | |
| 212 | S | 38.6 | Very low | 36 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | cis | -158.2 | -175.2 | 36.2 | -39.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 213 | Q | 35.5 | Very low | 36 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | cis | -156.3 | -164.2 | 2.7 | -143.3 | -6.5 | 78.9 | 0 | 0 | 109.6 | | |
| 214 | D | 38.9 | Very low | 35.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | | | trans | 22.4 | 119.6 | 155.8 | -50.4 | -30.7 | 0 | 0 | 0 | 118.6 | | |
| 215 | Y | 31.4 | Very low | 35.2 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | 63.6 | 92.3 | 22.4 | -162.6 | -96.8 | 0 | 0 | 0 | 117.3 | D217 | Y215-D217 VanDerWaalsContact CE2-OD2 3.28Å; Y215-D217 WeakPolarHBondContact CE2-OD2 3.48Å; Y215-D217 VanDerWaalsContact CZ-OD2 3.29Å; Y215-D217 PolarHBondContact OH-OD2 3.19Å |
| 216 | I | 36.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | | | trans | -139.6 | 110.3 | 151.4 | -66.1 | -173.4 | 0 | 0 | 0 | 109.4 | I218 | I216-I218 HydrophobicContact CG2-CD1 3.78Å; I216-I218 HydrophobicContact CG2-CG1 3.66Å |
| 217 | D | 30.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | | | trans | -79.7 | 121.5 | 158 | -90.6 | -57.8 | 0 | 0 | 0 | 109.6 | Y215 | Y215-D217 VanDerWaalsContact CE2-OD2 3.28Å; Y215-D217 WeakPolarHBondContact CE2-OD2 3.48Å; Y215-D217 VanDerWaalsContact CZ-OD2 3.29Å; Y215-D217 PolarHBondContact OH-OD2 3.19Å |
| 218 | I | 37 | Very low | 34.1 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -131.4 | 112.5 | 162.6 | -71.1 | 176.5 | 0 | 0 | 0 | 110.6 | I216 | I216-I218 HydrophobicContact CG2-CD1 3.78Å; I216-I218 HydrophobicContact CG2-CG1 3.66Å |
| 219 | A | 29.6 | Very low | 33.7 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | -82.4 | 160.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 220 | A | 29.1 | Very low | 33.3 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | 53.8 | 103.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 221 | K | 34.3 | Very low | 33.1 | Very low | 205 Ų | 205 | 143 Ų | 143 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | | | trans | -142.8 | 119.5 | 135 | -134.8 | 73 | 170.1 | -168.8 | 0 | 112.8 | | |
| 222 | V | 31.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | trans | -84.8 | 122.8 | 160.7 | 167.5 | 0 | 0 | 0 | 0 | 107.7 | R224 | V222-R224 HydrophobicContact CG1-CB 4.39Å; V222-R224 HydrophobicContact CG1-CG 4Å; V222-R224 PolarHBondContact O-N 2.79Å |
| 223 | P | 39.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | trans | -85.4 | 82.5 | 165.4 | 33.1 | -30.5 | 0 | 0 | 0 | 109.5 | I225 | P223-I225 PolarHBondContact O-N 3.39Š|
| 224 | R | 27.8 | Very low | 32.2 | Very low | 231 Ų | 231 | 138 Ų | 138 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | -80.9 | 107.5 | 157.5 | -92.6 | -174.5 | 177.6 | 169.8 | -1.4 | 107 | V222 | V222-R224 HydrophobicContact CG1-CB 4.39Å; V222-R224 HydrophobicContact CG1-CG 4Å; V222-R224 PolarHBondContact O-N 2.79Å |
| 225 | I | 36 | Very low | 31.8 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | trans | -131 | 84.8 | 168.6 | -55.3 | -178.1 | 0 | 0 | 0 | 107.7 | P223 | P223-I225 PolarHBondContact O-N 3.39Š|
| 226 | D | 32.2 | Very low | 32.1 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -59 | 143.2 | 136.6 | -97.5 | -57.9 | 0 | 0 | 0 | 107.2 | | |
| 227 | P | 35.9 | Very low | 32 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | | -142.9 | 170.1 | 69.8 | 41.1 | -25.7 | 0 | 0 | 0 | 116.6 | | |
| 228 | Q | 30.2 | Very low | 32.2 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -51.9 | 137.7 | 153.9 | -58.5 | 161.1 | -18.3 | 0 | 0 | 111 | | |
| 229 | V | 30.9 | Very low | 32.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | 179.5 | 149.5 | 128.2 | 144.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 230 | I | 26.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -74.9 | 125.4 | -179 | -59.7 | 151.9 | 0 | 0 | 0 | 111 | | |
| 231 | V | 31 | Very low | 33.1 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | -143.3 | 134.5 | 154.1 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 232 | T | 26.7 | Very low | 33.3 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | | | trans | -96.3 | -168.9 | 175.7 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 233 | V | 30.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | 78 | 133.8 | 172 | -176.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 234 | S | 29.4 | Very low | 33.2 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | cis | -164.4 | 163.9 | -16.5 | -114.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 235 | D | 31.7 | Very low | 33.3 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | 37.7 | 121.3 | 140.7 | -55.4 | -56.7 | 0 | 0 | 0 | 122.7 | | |
| 236 | S | 37.3 | Very low | 33.3 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | | | trans | -172 | 151.2 | 130.4 | -86.1 | 0 | 0 | 0 | 0 | 112 | | |
| 237 | C | 34.2 | Very low | 33.4 | Very low | 104 Ų | 104 | 126 Ų | 126 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | | | cis | 173.6 | 134 | -24.3 | -107.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 238 | I | 36.1 | Very low | 33.4 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | cis | -153.2 | -164.5 | -10.8 | -14.1 | 74.1 | 0 | 0 | 0 | 107.8 | | |
| 239 | K | 38.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | | | trans | 96.9 | 134.1 | 156.9 | -56.1 | -172.8 | 160.1 | -77.4 | 0 | 117.9 | | |
| 240 | E | 36.8 | Very low | 34 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | | | cis | -159.3 | 123.7 | -16.7 | -117.1 | 145.4 | -151.6 | 0 | 0 | 105.7 | | |
| 241 | I | 38.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | | 78.1 | 134.5 | 74.2 | -77.2 | 172.8 | 0 | 0 | 0 | 113.2 | | |
| 242 | P | 38.8 | Very low | 34.8 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | cis | -145 | -170.2 | -15.4 | 40.9 | -19.6 | 0 | 0 | 0 | 117.7 | | |
| 243 | S | 32.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | trans | -57.6 | 155.8 | 176 | 54.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 244 | V | 36.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | | | trans | -152.9 | 117.8 | 135.3 | 179.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 245 | T | 30.4 | Very low | 35 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | | | cis | 70.8 | 90 | 46.3 | 67.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 246 | T | 37.1 | Very low | 35.1 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | | | trans | 170.4 | 125 | 149.5 | 35.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 247 | S | 34.1 | Very low | 34.6 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | | | cis | 102.7 | 139.4 | 34.3 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 248 | N | 35 | Very low | 34.4 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | | | trans | 72.3 | 151 | 170.6 | -55.2 | -6.1 | 0 | 0 | 0 | 114.4 | | |
| 249 | T | 40.8 | Very low | 34 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | | | cis | -167 | 159.4 | -4.5 | 19.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 250 | D | 33.2 | Very low | 33.8 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | cis | 158.1 | -174.5 | -0.1 | -175.1 | 9.3 | 0 | 0 | 0 | 104.6 | | |
| 251 | I | 37.4 | Very low | 33.6 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | trans | 80.8 | 111 | 160.4 | -57.1 | 168 | 0 | 0 | 0 | 118.6 | | |
| 252 | D | 35.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 123 Ų | 123 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | | | trans | 50.1 | 134.1 | 142.8 | -57 | -22.7 | 0 | 0 | 0 | 123 | | |
| 253 | M | 29 | Very low | 33.4 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | | | cis | 90.7 | 157.9 | 32.6 | -154.4 | -141.1 | -55.5 | 0 | 0 | 114 | | |
| 254 | V | 34 | Very low | 33.4 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | trans | 86.4 | 109.4 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 116.8 | I256 | V254-I256 HydrophobicContact CG1-CD1 4.24Š|
| 255 | S | 28.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | trans | -80.8 | 146.9 | 162.4 | 41 | 0 | 0 | 0 | 0 | 111.5 | | |
| 256 | I | 34.4 | Very low | 33.4 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | | | trans | -149.8 | 143 | 165.7 | -102 | 150 | 0 | 0 | 0 | 109.7 | V254 | V254-I256 HydrophobicContact CG1-CD1 4.24Š|
| 257 | S | 26.2 | Very low | 33.5 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | -96.4 | -178.3 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111 | | |
| 258 | L | 29.4 | Very low | 33.5 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | 72.3 | 153.5 | 171.6 | -53.7 | 119.2 | 0 | 0 | 0 | 114.5 | | |
| 259 | S | 29.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | cis | -168.8 | -177.8 | -24.3 | 58.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 260 | S | 33.5 | Very low | 33.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | 74.5 | 147.4 | 163.5 | -44.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 261 | S | 32.6 | Very low | 33.8 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | -171.8 | 147.4 | -16.6 | 44.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 262 | L | 34.5 | Very low | 33.6 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | | | | 176.4 | 149.7 | 84.6 | -84.7 | 155.9 | 0 | 0 | 0 | 110 | | |
| 263 | H | 38.2 | Very low | 33.5 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | | | trans | 58.9 | 112.2 | 156 | -59.6 | -43.2 | 0 | 0 | 0 | 119.8 | | |
| 264 | D | 32.6 | Very low | 34 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | | 79.5 | 133.6 | 74.2 | -69.4 | -51.4 | 0 | 0 | 0 | 112.2 | | |
| 265 | V | 35.2 | Very low | 34.1 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | cis | -145.3 | 150.8 | 31.1 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 266 | H | 32.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | trans | -104.3 | 157.7 | 168 | -138.6 | -122.7 | 0 | 0 | 0 | 109 | | |
| 267 | P | 39 | Very low | 34.8 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | | -156.8 | 170.1 | 51.1 | 43.5 | -21.7 | 0 | 0 | 0 | 120.1 | | |
| 268 | S | 34 | Very low | 35.2 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -81 | 172.4 | 159.6 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 269 | P | 41.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 117 Ų | 117 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | | -159.7 | 167.7 | 92.3 | 42 | -22.9 | 0 | 0 | 0 | 118.9 | | |
| 270 | S | 39.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | 72.3 | 148.7 | 139.1 | -78.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 271 | I | 34.2 | Very low | 35.5 | Very low | 139 Ų | 139 | 119.1 Ų | 119.1 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | cis | -164.2 | 155.5 | -6.7 | -125.8 | 167.5 | 0 | 0 | 0 | 112.7 | | |
| 272 | L | 33.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | 51.4 | 119.2 | 159.8 | -67.7 | 172.5 | 0 | 0 | 0 | 120.7 | | |
| 273 | S | 34.3 | Very low | 35.1 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | | 85.1 | 144.3 | 76.5 | 89.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 274 | S | 37.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | cis | -152 | 164.1 | 7.5 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 275 | S | 36.7 | Very low | 34.8 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -91.5 | -166.1 | 171.9 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 276 | P | 40.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | cis | -148.3 | 160.5 | 35.1 | 48.7 | -28.7 | 0 | 0 | 0 | 119.3 | | |
| 277 | T | 36.2 | Very low | 34.2 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | | 48.4 | 154.5 | 129.9 | 63.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 278 | A | 35.2 | Very low | 33.7 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | cis | -177.1 | 175.4 | -17.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 279 | A | 33.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | 69.8 | 150.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 280 | S | 32.7 | Very low | 32.9 | Very low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | cis | -136.3 | 142.8 | 3.6 | -60.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 281 | V | 31.2 | Very low | 32.6 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | | | | 52.2 | 119.3 | 70.6 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 282 | S | 29.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | | | cis | -142.1 | -173 | 3.4 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 283 | F | 29.2 | Very low | 32.4 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | cis | -153 | -156.8 | 14.1 | -132 | -42.2 | 0 | 0 | 0 | 111 | | |
| 284 | V | 33.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | trans | -155.2 | 156.8 | -160.6 | 125.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 285 | P | 32 | Very low | 32 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | | | cis | -127.3 | -164.1 | -26.8 | 44.2 | -26.9 | 0 | 0 | 0 | 110.3 | | |
| 286 | M | 27.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | cis | 68.4 | 79.9 | 22.8 | -96 | -62.2 | -166.8 | 0 | 0 | 118.8 | | |
| 287 | N | 27.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 133 Ų | 133 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | | | trans | 62.1 | 168.3 | 130 | -153 | 6.2 | 0 | 0 | 0 | 119.8 | | |
| 288 | Y | 27.3 | Very low | 31.3 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | 60.7 | 167.3 | -178.9 | -65.1 | -95.5 | 0 | 0 | 0 | 115.5 | | |
| 289 | S | 30.7 | Very low | 31.2 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | cis | -161.8 | 149.4 | -49.8 | -97.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 290 | T | 29 | Very low | 31.2 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | 17.1 | 99.5 | 157.7 | -46.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 291 | V | 33.2 | Very low | 31 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | | | trans | -125.8 | 122.5 | 145.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | | |
| 292 | N | 29.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | -131.3 | 118.2 | -176.2 | -174.7 | 22 | 0 | 0 | 0 | 108.6 | | |
| 293 | R | 32.4 | Very low | 31.6 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | 166.6 | 141.7 | -179.5 | -97 | 169.2 | -172.1 | -150.3 | 2.5 | 106.1 | | |
| 294 | Y | 31 | Very low | 31.8 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | cis | -142.1 | -177.6 | -11.7 | -83.6 | -68.2 | 0 | 0 | 0 | 105.4 | | |
| 295 | L | 33.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | | | cis | -130 | 157.4 | 3.5 | -72.2 | 76.2 | 0 | 0 | 0 | 109.5 | | |
| 296 | S | 32.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -147.7 | 129.5 | 149.3 | -71.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 297 | P | 32.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -82.9 | 131.3 | -172.2 | 31.5 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 298 | Q | 33.3 | Very low | 32.3 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -131.8 | 144 | 149.7 | -77.1 | -164.4 | -6 | 0 | 0 | 108.4 | | |
| 299 | V | 32.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -121.2 | 131.7 | -175 | 173 | 0 | 0 | 0 | 0 | 108.6 | | |
| 300 | T | 33.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -152.9 | 87.6 | 162.7 | 9.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 301 | S | 29.3 | Very low | 32.9 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | 37.8 | 101.5 | 141.1 | 176.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 302 | S | 35.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | | -162.7 | 154.9 | 126.6 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 303 | D | 37.1 | Very low | 33 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 51.5 | 85.4 | 167.2 | -50.9 | -17.7 | 0 | 0 | 0 | 117 | | |
| 304 | V | 33 | Very low | 33.3 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | | 81.8 | 101.4 | 65.1 | -179.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 305 | S | 30.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | 52.9 | 106.4 | 145.3 | -57.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 306 | A | 36.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -152.1 | 149.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 307 | L | 33.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -25.4 | 134.8 | 178.3 | -97.9 | 42.5 | 0 | 0 | 0 | 117.3 | | |
| 308 | V | 32.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | | | cis | 77.4 | 127.3 | 43 | 177.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 309 | N | 31.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | 69.3 | 147.7 | 171.3 | -67 | -14.3 | 0 | 0 | 0 | 116.3 | | |
| 310 | N | 32.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | cis | -163.5 | 165.2 | 0.6 | -133.6 | -30.9 | 0 | 0 | 0 | 112.3 | | |
| 311 | Q | 34.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | 51.2 | 130 | 164.8 | -46.5 | -58.1 | -7.1 | 0 | 0 | 119 | | |
| 312 | L | 32.3 | Very low | 32.9 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | cis | 79.8 | 110.2 | 33.6 | -169 | 74.2 | 0 | 0 | 0 | 115.7 | | |
| 313 | S | 33.2 | Very low | 32.9 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -176.1 | 145.2 | 139.6 | -88.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 314 | S | 37.8 | Very low | 33 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 65.3 | 144.7 | 171 | 76.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 315 | G | 32.6 | Very low | 33 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | cis | 164.9 | 68.7 | -11 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 316 | T | 35.6 | Very low | 33.2 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -138.8 | 127.4 | 171.5 | -35.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 317 | K | 31.3 | Very low | 33.1 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -112.6 | 133.9 | 176.3 | -70.4 | 178.8 | 177.9 | 176.2 | 0 | 110.8 | | |
| 318 | Y | 30.4 | Very low | 33.2 | Very low | 231 Ų | 231 | 134.8 Ų | 134.8 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | -138 | 147 | 150.6 | -88.2 | -75.4 | 0 | 0 | 0 | 109.8 | | |
| 319 | A | 31.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -94.4 | 149.8 | -156 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 320 | I | 26.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | | | trans | -103.3 | 130.3 | 165.7 | -61.8 | 172.2 | 0 | 0 | 0 | 107.4 | | |
| 321 | S | 33.6 | Very low | 33.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -108.3 | 126.5 | 171.2 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 322 | A | 29.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | | | trans | -99.3 | 149.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 323 | K | 35.4 | Very low | 34.3 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -161.4 | 147 | 154.6 | -116.4 | 162.9 | -173.8 | 176.1 | 0 | 112.5 | | |
| 324 | S | 39.5 | Very low | 34.3 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | | | trans | 57.7 | 108.4 | 174 | 39.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 325 | L | 33 | Very low | 34 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -88.1 | 158.1 | 171.7 | -73.4 | 157.5 | 0 | 0 | 0 | 111.8 | | |
| 326 | G | 33.8 | Very low | 34 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | | | trans | -165.3 | 107.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 327 | L | 34.3 | Very low | 33.9 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | | | trans | -79.6 | 147.6 | -171.8 | -74.7 | 73.6 | 0 | 0 | 0 | 111.8 | | |
| 328 | G | 35.5 | Very low | 34.1 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | | | trans | 175.3 | -74.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I330 | G328-I330 PolarHBondContact O-N 2.86Å; G328-I330 VanDerWaalsContact O-N 3.14Å |
| 329 | D | 38.5 | Very low | 34 | Very low | 172 Ų | 172 | 131 Ų | 131 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 40.9 | -155.4 | -56.2 | -33.3 | 0 | 0 | 0 | 115.6 | | |
| 330 | I | 37.3 | Very low | 33.9 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | -8.3 | 179.3 | -70.1 | 177.8 | 0 | 0 | 0 | 113.4 | G328 D332 | G328-I330 PolarHBondContact O-N 2.86Å; G328-I330 VanDerWaalsContact O-N 3.14Å; I330-D332 PolarHBondContact O-N 3.2Å |
| 331 | G | 35.3 | Very low | 34.2 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -64.5 | -37.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L333 | G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.33Å; G331-L333 VanDerWaalsContact O-N 3.11Å |
| 332 | D | 39.7 | Very low | 34 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -80 | 11.3 | -167.8 | -75.4 | -7.7 | 0 | 0 | 0 | 115.5 | I330 | I330-D332 PolarHBondContact O-N 3.2Š|
| 333 | L | 35.6 | Very low | 34.1 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -131.8 | 13.3 | -175.1 | -137.8 | 78.4 | 0 | 0 | 0 | 116.9 | G331 | G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.33Å; G331-L333 VanDerWaalsContact O-N 3.11Å |
| 334 | C | 33 | Very low | 33.9 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -148.4 | 42.4 | 165.6 | -98.6 | 0 | 0 | 0 | 0 | 113.5 | I336 | C334-I336 PolarHBondContact O-N 3.09Š|
| 335 | G | 31.3 | Very low | 33.5 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -76.5 | 78.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 336 | I | 33.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | 55.3 | 115.2 | 148.1 | -59.6 | 170.1 | 0 | 0 | 0 | 118.1 | C334 | C334-I336 PolarHBondContact O-N 3.09Š|
| 337 | L | 33.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | trans | -62 | 149.1 | 163.1 | -74.1 | 63.1 | 0 | 0 | 0 | 111.1 | I339 | L337-I339 HydrophobicContact CB-CD1 4.49Å; L337-I339 HydrophobicContact CB-CG1 3.87Å; L337-I339 HydrophobicContact CD2-CD1 4.27Å; L337-I339 HydrophobicContact CD2-CG1 4.08Å; L337-I339 PolarHBondContact O-N 3.12Å |
| 338 | P | 35.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -72.9 | 71 | 159.3 | 33.1 | -34.5 | 0 | 0 | 0 | 110.6 | N340 | P338-N340 PolarHBondContact O-N 3.36Š|
| 339 | I | 28.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 137 Ų | 137 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | | | trans | -72.5 | 83.9 | 163 | -59.9 | 176 | 0 | 0 | 0 | 107 | L337 | L337-I339 HydrophobicContact CB-CD1 4.49Å; L337-I339 HydrophobicContact CB-CG1 3.87Å; L337-I339 HydrophobicContact CD2-CD1 4.27Å; L337-I339 HydrophobicContact CD2-CG1 4.08Å; L337-I339 PolarHBondContact O-N 3.12Å |
| 340 | N | 28.2 | Very low | 32.1 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -168.8 | 41.2 | 164.1 | -102.7 | -16.3 | 0 | 0 | 0 | 112.8 | P338 | P338-N340 PolarHBondContact O-N 3.36Š|
| 341 | A | 33.6 | Very low | 31.7 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -159.2 | 31.2 | 176 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 342 | L | 29.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -165 | 92.6 | 170.5 | -114.9 | 165.5 | 0 | 0 | 0 | 114.1 | | |
| 343 | L | 30.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | 148.4 | 132.1 | 152.7 | -84.6 | 161.4 | 0 | 0 | 0 | 109.7 | | |
| 344 | G | 31.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 147.7 | 36.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 345 | K | 31.9 | Very low | 30.7 | Very low | 202 Ų | 202 | 129.6 Ų | 129.6 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | -104 | 96.6 | 173.9 | -81.1 | -171.7 | 176.6 | -178.9 | 0 | 111.3 | | |
| 346 | T | 31.8 | Very low | 30.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -141.8 | 106.2 | 157.6 | 35.8 | 0 | 0 | 0 | 0 | 106 | | |
| 347 | L | 27.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | | 51.8 | 95 | 69 | -70 | 176.3 | 0 | 0 | 0 | 113.1 | | |
| 348 | I | 30.2 | Very low | 30.5 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | 172 | 103 | 151.8 | -87.4 | 149.5 | 0 | 0 | 0 | 101.7 | | |
| 349 | S | 26.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | cis | 69.3 | 113 | 47.2 | -162 | 0 | 0 | 0 | 0 | 112.7 | | |
| 350 | G | 29.3 | Very low | 30.2 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | trans | 144.4 | 108.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 351 | N | 30.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | 45.5 | 116.2 | 140.2 | -61.7 | 74.7 | 0 | 0 | 0 | 119.2 | | |
| 352 | D | 27.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | | 88.4 | 153.8 | 68.6 | -71.3 | -40.6 | 0 | 0 | 0 | 113.3 | | |
| 353 | T | 35.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | trans | 68.4 | 117.8 | -179.1 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 354 | N | 26.9 | Very low | 29.7 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | | 70.6 | 121.1 | 65.9 | -64.9 | -24.3 | 0 | 0 | 0 | 112.8 | | |
| 355 | G | 32.4 | Very low | 29.5 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 123.4 | 66.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 356 | S | 27.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | 73.7 | 148.1 | 78.5 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 357 | S | 31.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 68.7 | 60.5 | 167.6 | -52.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 358 | K | 33.6 | Very low | 29.6 | Very low | 201 Ų | 201 | 130.3 Ų | 130.3 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -115.1 | 113.6 | 145.6 | -79.8 | -172.7 | 174.9 | -179.8 | 0 | 109.5 | L360 | K358-L360 PolarHBondContact O-N 2.85Š|
| 359 | L | 33 | Very low | 29.7 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | -61.9 | 120.4 | 176.8 | -63.3 | 156.4 | 0 | 0 | 0 | 107.9 | | |
| 360 | L | 26.4 | Very low | 30 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | | 67.8 | 96.3 | 52.8 | -61.6 | -179.8 | 0 | 0 | 0 | 113.9 | K358 | K358-L360 PolarHBondContact O-N 2.85Š|
| 361 | F | 24.4 | Very low | 30.3 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | 14.7 | 115.2 | 146.6 | -50.8 | -85.8 | 0 | 0 | 0 | 119.3 | | |
| 362 | A | 28.5 | Very low | 30.3 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -159.8 | 145 | 140.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 363 | N | 29.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | cis | -154.4 | 140.3 | -20 | -111.2 | -21 | 0 | 0 | 0 | 107.9 | | |
| 364 | N | 27.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | -121.1 | 64.7 | 159.5 | -157.9 | 8.5 | 0 | 0 | 0 | 108.2 | | |
| 365 | I | 27.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -134.6 | 112.9 | 179.9 | -60.2 | 179.9 | 0 | 0 | 0 | 106.7 | | |
| 366 | G | 31.8 | Very low | 30.7 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | -164.8 | 80.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 367 | T | 31.1 | Very low | 31 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | 50 | 143.7 | 147 | 54.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 368 | A | 30.6 | Very low | 31 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | cis | -178.3 | 168.2 | -14.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 369 | V | 31.8 | Very low | 31.3 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 68.9 | 142.4 | 155.7 | 164.5 | 0 | 0 | 0 | 0 | 115 | | |
| 370 | C | 33.2 | Very low | 31.4 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | cis | -136.3 | -161.6 | 6.6 | -143 | 0 | 0 | 0 | 0 | 111.8 | | |
| 371 | P | 35.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | | -93.8 | 163 | -128.1 | 41 | -31.1 | 0 | 0 | 0 | 115.7 | | |
| 372 | S | 29.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | -129.3 | 105.4 | 146 | -68 | 0 | 0 | 0 | 0 | 108.2 | | |
| 373 | G | 33.7 | Very low | 31.9 | Very low | 57 Ų | 57 | 122.7 Ų | 122.7 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -63.8 | 139.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 374 | S | 34.7 | Very low | 32 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | | 63.7 | 116.7 | 67.3 | 79.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 375 | E | 31.2 | Very low | 32 | Very low | 167 Ų | 167 | 125 Ų | 125 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | cis | -148.4 | 152.4 | 24.3 | -69.7 | -175.5 | 104.5 | 0 | 0 | 114 | | |
| 376 | M | 32.8 | Very low | 31.8 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 64.5 | 139.6 | 144.4 | -70.5 | 175.3 | 86.2 | 0 | 0 | 119.9 | | |
| 377 | V | 33.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 127 Ų | 127 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | cis | -156.4 | 160.2 | -0.8 | 94.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 378 | N | 32.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 72.7 | 146.7 | 170.1 | -71.1 | -13.5 | 0 | 0 | 0 | 118.7 | | |
| 379 | P | 38.2 | Very low | 31.2 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | | -133.5 | 170 | -129.1 | 40.9 | -24.9 | 0 | 0 | 0 | 117.7 | | |
| 380 | S | 35.2 | Very low | 30.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 74% | 0.736 | S | S | * | * | | | trans | 69.9 | 138.5 | 172.9 | 76.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 381 | G | 31.6 | Very low | 30.6 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | | | cis | -178.3 | 123.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T383 | G381-T383 PolarHBondContact O-N 3.33Š|
| 382 | F | 28.8 | Very low | 30.2 | Very low | 198 Ų | 198 | 127.5 Ų | 127.5 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | | | trans | -24.9 | 115 | -177.5 | -97.2 | -126.4 | 0 | 0 | 0 | 119.2 | | |
| 383 | T | 30 | Very low | 30.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | | | | 46.1 | 120.7 | 115.4 | 63.1 | 0 | 0 | 0 | 0 | 121.3 | G381 | G381-T383 PolarHBondContact O-N 3.33Š|
| 384 | Q | 32.1 | Very low | 29.7 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | | 46.5 | 91.3 | 116.5 | -163.5 | -168.9 | 89.5 | 0 | 0 | 118.2 | | |
| 385 | Q | 27.4 | Very low | 29.4 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | | -170.8 | 171.8 | 109 | -99.7 | -171.4 | 23.5 | 0 | 0 | 111.5 | | |
| 386 | M | 23.5 | Very low | 29.3 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 53.6 | 73.7 | 164.6 | -156.5 | -176.9 | -59.3 | 0 | 0 | 117.9 | | |
| 387 | T | 27.6 | Very low | 29 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 47% | 0.466 | 74% | 0.743 | S | S | . | * | | | trans | -177.6 | 103.3 | 130.5 | 24.1 | 0 | 0 | 0 | 0 | 111.2 | K572 | T387-K572 VanDerWaalsContact CB-NZ 3.3Å; T387-K572 HydrophobicContact CG2-CD 4.44Å; T387-K572 WeakPolarHBondContact O-CE 3.35Å; T387-K572 PolarHBondContact O-NZ 2.9Å; T387-K572 PolarHBondContact OG1-NZ 3.19Å |
| 388 | Q | 27.6 | Very low | 28.9 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 95% | 0.949 | 74% | 0.737 | S | S | * | * | | | trans | -108.1 | 120.7 | 150.6 | -80.2 | -175.8 | -18.6 | 0 | 0 | 107.2 | | |
| 389 | C | 24.4 | Very low | 28.7 | Very low | 44 Ų | 44 | 128 Ų | 128 | 30% | 0.297 | 74% | 0.74 | S | S | . | * | | | trans | -140 | 145 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 390 | I | 25.5 | Very low | 28.3 | Very low | 137 Ų | 137 | 129 Ų | 129 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | | | trans | 82.5 | 129.6 | 160.9 | -58.4 | 149.2 | 0 | 0 | 0 | 116.3 | | |
| 391 | S | 27.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | 73.7 | 129 | 172.5 | -59.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 392 | S | 27 | Very low | 28.1 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | cis | -169.3 | 152.1 | -11.5 | 39.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 393 | S | 28.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | | | trans | 52.7 | 111.7 | 163.9 | 52.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 394 | S | 25.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | | | | 77.9 | 92.7 | 52.1 | -173.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 395 | C | 27.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | | | trans | -142.9 | 145.9 | 143.5 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 396 | T | 28.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | | | trans | -90.5 | 121 | -168 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | Q398 | T396-Q398 PolarHBondContact O-N 3.33Š|
| 397 | N | 27.5 | Very low | 31 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | | | trans | -70.2 | 88.5 | 168.7 | -77.3 | -36.7 | 0 | 0 | 0 | 110.9 | N399 | N397-N399 PolarHBondContact O-N 2.68Š|
| 398 | Q | 30 | Very low | 31.6 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 52% | 0.523 | 68% | 0.676 | S | S | . | * | | | trans | -70.4 | 96.6 | 164.3 | -73.6 | -167.7 | -12.7 | 0 | 0 | 109.2 | T396 L400 T522 | T396-Q398 PolarHBondContact O-N 3.33Å; Q398-L400 PolarHBondContact O-N 3.3Å; Q398-T522 PolarHBondContact NE2-OG1 3.34Å |
| 399 | N | 29.1 | Very low | 32.1 | Very low | 155 Ų | 155 | 107.6 Ų | 107.6 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | | | trans | -66.2 | 83.7 | 166.3 | -86.4 | -47.8 | 0 | 0 | 0 | 109.7 | N397 M401 | N397-N399 PolarHBondContact O-N 2.68Å; N399-M401 PolarHBondContact O-N 2.81Å |
| 400 | L | 29.3 | Very low | 33 | Very low | 131 Ų | 131 | 109.2 Ų | 109.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | | | trans | -62.3 | 101 | 166.4 | -84.7 | 141.9 | 0 | 0 | 0 | 108.4 | Q398 L402 | Q398-L400 PolarHBondContact O-N 3.3Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.29Å |
| 401 | M | 29.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 105.1 Ų | 105.1 | 93% | 0.926 | 64% | 0.639 | S | S | * | * | | | trans | -61.3 | 93.3 | 169.4 | -72.9 | -172.8 | 72.2 | 0 | 0 | 109.3 | N399 N403 | N399-M401 PolarHBondContact O-N 2.81Å; M401-N403 PolarHBondContact O-N 2.83Å |
| 402 | L | 33.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 102.2 Ų | 102.2 | 69% | 0.686 | 62% | 0.621 | S | S | * | * | | | trans | -60.9 | 129.7 | 169.4 | -71 | 172.3 | 0 | 0 | 0 | 108.4 | L400 S404 L406 | L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.29Å; L402-S404 PolarHBondContact O-N 3.35Å; L402-L406 HydrophobicContact CD2-CD2 4.15Å |
| 403 | N | 38.4 | Very low | 34.9 | Very low | 88 Ų | 88 | 100.5 Ų | 100.5 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | | | trans | -51 | 130.9 | -176.8 | -177.8 | -22 | 0 | 0 | 0 | 110.5 | M401 N405 L406 A407 | M401-N403 PolarHBondContact O-N 2.83Å; N403-N405 PolarHBondContact O-N 3.03Å; N403-N405 WeakPolarHBondContact OD1-CB 3.26Å; N403-N405 PolarHBondContact OD1-N 3.15Å; N403-L406 WeakPolarHBondContact O-CA 3.25Å; N403-L406 VanDerWaalsContact O-CB 3.32Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.06Å; N403-A407 PolarHBondContact O-N 2.9Å |
| 404 | S | 45.2 | Very low | 35.5 | Very low | 93 Ų | 93 | 100.6 Ų | 100.6 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -53.1 | -29.2 | 178.5 | -50 | 0 | 0 | 0 | 0 | 112.8 | L402 L406 A407 A408 | L402-S404 PolarHBondContact O-N 3.35Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.03Å; S404-A407 PolarHBondContact O-N 2.79Å; S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.12Å |
| 405 | N | 34.3 | Very low | 36.2 | Very low | 119 Ų | 119 | 99.1 Ų | 99.1 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -27.9 | 175.3 | -60.3 | -6.3 | 0 | 0 | 0 | 112.8 | N403 A409 | N403-N405 PolarHBondContact O-N 3.03Å; N403-N405 WeakPolarHBondContact OD1-CB 3.26Å; N403-N405 PolarHBondContact OD1-N 3.15Å; N405-A409 VanDerWaalsContact O-CB 3.25Å; N405-A409 WeakPolarHBondContact O-CB 3.26Å; N405-A409 PolarHBondContact O-N 3.38Å |
| 406 | L | 43.4 | Very low | 36.5 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 38% | 0.377 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.7 | -41.8 | 173.9 | -170.8 | 71.6 | 0 | 0 | 0 | 111 | L402 N403 S404 A408 A409 V410 | L402-L406 HydrophobicContact CD2-CD2 4.15Å; N403-L406 WeakPolarHBondContact O-CA 3.25Å; N403-L406 VanDerWaalsContact O-CB 3.32Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.06Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.03Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.84Å; L406-A409 PolarHBondContact O-N 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 2.88Å |
| 407 | A | 40.2 | Very low | 36.6 | Very low | 63 Ų | 63 | 98 Ų | 98 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.5 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N403 S404 V410 A411 | N403-A407 PolarHBondContact O-N 2.9Å; S404-A407 PolarHBondContact O-N 2.79Å; A407-V410 PolarHBondContact O-N 3.44Å; A407-A411 VanDerWaalsContact O-CB 3.27Å; A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 2.89Å |
| 408 | A | 40.7 | Very low | 36.8 | Very low | 59 Ų | 59 | 95.9 Ų | 95.9 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S404 L406 A412 | S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.12Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.84Å; A408-A412 VanDerWaalsContact O-CB 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 3.08Å |
| 409 | A | 37.4 | Very low | 36.6 | Very low | 33 Ų | 33 | 99.1 Ų | 99.1 | 27% | 0.273 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N405 L406 A412 A413 L769 | N405-A409 VanDerWaalsContact O-CB 3.25Å; N405-A409 WeakPolarHBondContact O-CB 3.26Å; N405-A409 PolarHBondContact O-N 3.38Å; L406-A409 PolarHBondContact O-N 3.28Å; A409-A412 PolarHBondContact O-N 2.94Å; A409-A413 WeakPolarHBondContact O-CB 3.25Å; A409-A413 PolarHBondContact O-N 3.42Å; A409-L769 HydrophobicContact CB-CD1 4.28Å |
| 410 | V | 42.9 | Very low | 36.5 | Very low | 79 Ų | 79 | 96.9 Ų | 96.9 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -43.1 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L406 A407 A413 I414 | L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 2.88Å; A407-V410 PolarHBondContact O-N 3.44Å; V410-A413 PolarHBondContact O-N 3.15Å; V410-I414 HydrophobicContact CG1-CD1 3.84Å; V410-I414 WeakPolarHBondContact O-CG1 3.41Å; V410-I414 PolarHBondContact O-N 3.09Å |
| 411 | A | 41.6 | Very low | 36.4 | Very low | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.5 | -47.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A407 A413 I414 S415 | A407-A411 VanDerWaalsContact O-CB 3.27Å; A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 2.89Å; A411-A413 VanDerWaalsContact C-N 3.33Å; A411-A413 PolarHBondContact O-N 3.48Å; A411-I414 PolarHBondContact O-N 3.38Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.27Å; A411-S415 PolarHBondContact O-OG 3.28Å; A411-S415 VanDerWaalsContact O-OG 3.04Å |
| 412 | A | 40.7 | Very low | 36.3 | Very low | 48 Ų | 48 | 94.4 Ų | 94.4 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A408 A409 I414 N416 | A408-A412 VanDerWaalsContact O-CB 3.27Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 3.08Å; A409-A412 PolarHBondContact O-N 2.94Å; A412-I414 VanDerWaalsContact C-N 3.34Å; A412-N416 WeakPolarHBondContact O-CB 3.5Å; A412-N416 PolarHBondContact O-N 3.48Å |
| 413 | A | 38.8 | Very low | 36.1 | Very low | 66 Ų | 66 | 93.8 Ų | 93.8 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.2 | -33.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A409 V410 A411 | A409-A413 WeakPolarHBondContact O-CB 3.25Å; A409-A413 PolarHBondContact O-N 3.42Å; V410-A413 PolarHBondContact O-N 3.15Å; A411-A413 VanDerWaalsContact C-N 3.33Å; A411-A413 PolarHBondContact O-N 3.48Å |
| 414 | I | 42 | Very low | 35.7 | Very low | 113 Ų | 113 | 96.6 Ų | 96.6 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.8 | -41.4 | 175.9 | -66.2 | 166.9 | 0 | 0 | 0 | 110.7 | V410 A411 A412 N416 S417 | V410-I414 HydrophobicContact CG1-CD1 3.84Å; V410-I414 WeakPolarHBondContact O-CG1 3.41Å; V410-I414 PolarHBondContact O-N 3.09Å; A411-I414 PolarHBondContact O-N 3.38Å; A411-I414 VanDerWaalsContact O-N 3.15Å; A412-I414 VanDerWaalsContact C-N 3.34Å; I414-N416 VanDerWaalsContact C-N 3.32Å; I414-N416 PolarHBondContact O-N 3.37Å; I414-S417 PolarHBondContact O-N 3.46Å; I414-S417 PolarHBondContact O-OG 3.13Å |
| 415 | S | 38.8 | Very low | 35.1 | Very low | 89 Ų | 89 | 96.4 Ų | 96.4 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.1 | -22.1 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 114.8 | A411 S417 | A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.27Å; A411-S415 PolarHBondContact O-OG 3.28Å; A411-S415 VanDerWaalsContact O-OG 3.04Å; S415-S417 VanDerWaalsContact C-N 3.34Å |
| 416 | N | 34 | Very low | 34.9 | Very low | 140 Ų | 140 | 97.7 Ų | 97.7 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 6 | 178.6 | -78.3 | -3.4 | 0 | 0 | 0 | 114 | A412 I414 S418 | A412-N416 WeakPolarHBondContact O-CB 3.5Å; A412-N416 PolarHBondContact O-N 3.48Å; I414-N416 VanDerWaalsContact C-N 3.32Å; I414-N416 PolarHBondContact O-N 3.37Å; N416-S418 VanDerWaalsContact C-N 3.3Å; N416-S418 PolarHBondContact O-N 3.21Å |
| 417 | S | 32.2 | Very low | 34.2 | Very low | 74 Ų | 74 | 100.4 Ų | 100.4 | 52% | 0.517 | 64% | 0.636 | S | S | . | * | | | trans | -89.1 | 48.4 | -179.5 | 64.8 | 0 | 0 | 0 | 0 | 114 | I414 S415 F419 | I414-S417 PolarHBondContact O-N 3.46Å; I414-S417 PolarHBondContact O-OG 3.13Å; S415-S417 VanDerWaalsContact C-N 3.34Å; S417-F419 VanDerWaalsContact C-N 3.28Å; S417-F419 PolarHBondContact O-N 3.19Å |
| 418 | S | 30.2 | Very low | 33.7 | Very low | 110 Ų | 110 | 104.4 Ų | 104.4 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | | | trans | -72.1 | 70.3 | -179.5 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | N416 S420 | N416-S418 VanDerWaalsContact C-N 3.3Å; N416-S418 PolarHBondContact O-N 3.21Å; S418-S420 PolarHBondContact O-N 3.33Å |
| 419 | F | 27.1 | Very low | 33.2 | Very low | 180 Ų | 180 | 105.4 Ų | 105.4 | 79% | 0.789 | 66% | 0.662 | S | S | * | * | | | trans | -83.1 | 95.1 | 173.9 | -86.7 | -82.2 | 0 | 0 | 0 | 112 | S417 L421 | S417-F419 VanDerWaalsContact C-N 3.28Å; S417-F419 PolarHBondContact O-N 3.19Å; F419-L421 HydrophobicContact CB-CD1 4.11Å; F419-L421 HydrophobicContact CD1-CD1 4.46Å; F419-L421 PolarHBondContact O-N 3.47Å |
| 420 | S | 26.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | | | trans | -78 | 94.5 | 168.3 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | S418 S422 | S418-S420 PolarHBondContact O-N 3.33Å; S420-S422 PolarHBondContact O-N 2.98Å |
| 421 | L | 27.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 114.4 Ų | 114.4 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | | | trans | -84.8 | 98.3 | 166.9 | -87.8 | 77 | 0 | 0 | 0 | 110 | F419 S423 | F419-L421 HydrophobicContact CB-CD1 4.11Å; F419-L421 HydrophobicContact CD1-CD1 4.46Å; F419-L421 PolarHBondContact O-N 3.47Å; L421-S423 PolarHBondContact O-N 2.99Å |
| 422 | S | 28.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | -72.4 | 90.9 | 167.4 | -59.2 | 0 | 0 | 0 | 0 | 110 | S420 N424 | S420-S422 PolarHBondContact O-N 2.98Å; S422-N424 PolarHBondContact O-N 3.32Å |
| 423 | S | 29.5 | Very low | 31 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -67.9 | 123.8 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | L421 | L421-S423 PolarHBondContact O-N 2.99Š|
| 424 | N | 30.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -137.3 | 114.2 | 168.4 | -155.2 | -0.4 | 0 | 0 | 0 | 112.7 | S422 | S422-N424 PolarHBondContact O-N 3.32Š|
| 425 | S | 31.4 | Very low | 29.8 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | | | trans | 45.2 | 131.7 | 156 | 64.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 426 | N | 29.7 | Very low | 29.2 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | 78.7 | 95.9 | 146.6 | -57.2 | -15.1 | 0 | 0 | 0 | 120 | | |
| 427 | P | 28.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -88 | 132.4 | 156.9 | 34.4 | -29.4 | 0 | 0 | 0 | 111.7 | | |
| 428 | V | 30.1 | Very low | 28.5 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | -134.2 | 133.9 | 163 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 429 | A | 29.5 | Very low | 28.3 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -94.9 | 149.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 430 | N | 31.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | | -167.2 | 157.6 | 110.1 | -107.4 | -54.5 | 0 | 0 | 0 | 115.8 | | |
| 431 | N | 29.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -50.8 | 149.5 | 179.8 | -51.9 | -63 | 0 | 0 | 0 | 115.8 | | |
| 432 | G | 28.5 | Very low | 28.9 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 174.5 | 80.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 433 | S | 28.3 | Very low | 29.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -65.4 | 132.2 | -178.5 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 434 | N | 28.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | | -168.8 | 163.6 | 128.1 | -101.1 | -40.1 | 0 | 0 | 0 | 113.6 | | |
| 435 | L | 25.8 | Very low | 31 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | -60.2 | 154.9 | 172.5 | -70.6 | 55.8 | 0 | 0 | 0 | 109.9 | | |
| 436 | T | 26.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | cis | -153.9 | 146.7 | 42.4 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 437 | T | 26.1 | Very low | 33.9 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 45.4 | 83.5 | 145.5 | 60.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 438 | S | 26 | Very low | 36.2 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | trans | -172.4 | 111.5 | 133.5 | 32.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 439 | I | 26 | Very low | 37.9 | Very low | 161 Ų | 161 | 115.2 Ų | 115.2 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | | | trans | -129 | 128.1 | 174.3 | -61 | -179.9 | 0 | 0 | 0 | 107 | | |
| 440 | P | 28.9 | Very low | 40.2 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | | | trans | -69.7 | 144.8 | -176.5 | 28.4 | -34.8 | 0 | 0 | 0 | 111.8 | L442 | P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.1Å |
| 441 | T | 31.1 | Very low | 42.6 | Very low | 125 Ų | 125 | 109.3 Ų | 109.3 | 77% | 0.767 | 66% | 0.663 | S | S | * | * | | | trans | -70.2 | 103.8 | 177.7 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | N443 | T441-N443 PolarHBondContact O-N 3.25Å; T441-N443 VanDerWaalsContact O-N 3.12Å |
| 442 | L | 33.3 | Very low | 44.1 | Very low | 164 Ų | 164 | 107.8 Ų | 107.8 | 86% | 0.859 | 66% | 0.661 | S | S | * | * | | | trans | -72.7 | 101.2 | 175.6 | -160.9 | 78.1 | 0 | 0 | 0 | 109.7 | P440 T444 | P440-L442 PolarHBondContact O-N 3.43Å; P440-L442 VanDerWaalsContact O-N 3.1Å; L442-T444 PolarHBondContact O-N 3.28Å |
| 443 | N | 37.7 | Very low | 45.9 | Very low | 142 Ų | 142 | 108.3 Ų | 108.3 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | | | trans | -67.8 | 97.6 | -178 | -78.2 | -19.6 | 0 | 0 | 0 | 111.5 | T441 | T441-N443 PolarHBondContact O-N 3.25Å; T441-N443 VanDerWaalsContact O-N 3.12Å |
| 444 | T | 44 | Very low | 48 | Very low | 90 Ų | 90 | 105.9 Ų | 105.9 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | | | trans | -69.4 | 132.7 | 168.3 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | L442 S446 | L442-T444 PolarHBondContact O-N 3.28Å; T444-S446 PolarHBondContact O-N 3.48Å |
| 445 | P | 50 | Low | 50.2 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 56% | 0.558 | 63% | 0.626 | S | S | * | * | | | trans | -62.4 | 138.1 | 175.5 | 25.4 | -32.1 | 0 | 0 | 0 | 110.4 | I462 | P445-I462 HydrophobicContact CB-CD1 4.38Å; P445-I462 HydrophobicContact CG-CB 4.33Å; P445-I462 WeakPolarHBondContact O-CB 3.33Å; P445-I462 PolarHBondContact O-N 2.99Å |
| 446 | S | 55.7 | Low | 52.6 | Low | 67 Ų | 67 | 101.6 Ų | 101.6 | 47% | 0.469 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139 | 145.4 | 179.3 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | T444 I460 | T444-S446 PolarHBondContact O-N 3.48Å; S446-I460 CarbonylContact C-O 3.49Å; S446-I460 WeakPolarHBondContact CA-O 3.23Å; S446-I460 WeakPolarHBondContact CB-O 3.4Å |
| 447 | I | 66 | Low | 54.9 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 47% | 0.467 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.5 | -178.8 | -55.5 | 177 | 0 | 0 | 0 | 108.2 | T459 I460 I462 | I447-T459 CarbonylContact O-C 3.53Å; I447-T459 WeakPolarHBondContact O-CA 3.47Å; I447-I460 PolarHBondContact N-O 3.11Å; I447-I460 PolarHBondContact O-N 3.14Å; I447-I462 HydrophobicContact CD1-CD1 4.05Å; I447-I462 HydrophobicContact CD1-CG1 4.24Å; I447-I462 HydrophobicContact CG1-CD1 3.84Å; I447-I462 HydrophobicContact CG1-CG1 4.03Å |
| 448 | A | 76.8 | Confident | 57.3 | Low | 49 Ų | 49 | 95.6 Ų | 95.6 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 122 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I456 T459 | A448-I456 HydrophobicContact CB-CG2 4.39Å; A448-T459 HydrophobicContact CB-CG2 4.24Å |
| 449 | L | 67.2 | Low | 59.5 | Low | 84 Ų | 84 | 94.3 Ų | 94.3 | 44% | 0.44 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.9 | 170.8 | -61.8 | -179.6 | 0 | 0 | 0 | 108.9 | I456 L457 G458 I460 | L449-I456 CarbonylContact O-C 3.56Å; L449-I456 WeakPolarHBondContact O-CA 3.3Å; L449-L457 HydrophobicContact CB-CB 4.36Å; L449-L457 PolarHBondContact O-N 2.78Å; L449-G458 PolarHBondContact N-O 3.39Å; L449-I460 HydrophobicContact CD1-CD1 4.16Å; L449-I460 HydrophobicContact CD1-CG1 4.4Å; L449-I460 HydrophobicContact CD2-CD1 4.18Å; L449-I460 HydrophobicContact CG-CD1 4.31Å; L449-I460 HydrophobicContact CG-CG1 4.48Å |
| 450 | T | 78.1 | Confident | 61.1 | Low | 96 Ų | 96 | 90.9 Ų | 90.9 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.6 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | E455 I456 | T450-E455 CarbonylContact C-O 3.26Å; T450-E455 VanDerWaalsContact CA-O 3.29Å; T450-E455 WeakPolarHBondContact CA-O 3.46Å; T450-I456 HydrophobicContact CG2-CG1 4.45Å |
| 451 | G | 82 | Confident | 62.2 | Low | 8 Ų | 8 | 89.2 Ų | 89.2 | 8% | 0.082 | 54% | 0.542 | C | S | . | . | | | trans | -76.5 | 169.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S453 G454 E455 | G451-S453 PolarHBondContact O-N 3.46Å; G451-G454 PolarHBondContact O-N 3.33Å; G451-E455 PolarHBondContact N-O 3.4Å |
| 452 | P | 59.4 | Low | 63 | Low | 121 Ų | 121 | 87.2 Ų | 87.2 | 79% | 0.786 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.3 | -179.8 | 27.8 | -35.7 | 0 | 0 | 0 | 113.7 | | |
| 453 | S | 67.2 | Low | 63.4 | Low | 93 Ų | 93 | 83.9 Ų | 83.9 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.5 | 173.8 | -37.7 | 0 | 0 | 0 | 0 | 113.8 | G451 E455 | G451-S453 PolarHBondContact O-N 3.46Å; S453-E455 VanDerWaalsContact C-N 3.32Å; S453-E455 VanDerWaalsContact CB-OE1 3.23Å; S453-E455 WeakPolarHBondContact CB-OE1 3.39Å; S453-E455 PolarHBondContact OG-OE1 3.13Å |
| 454 | G | 70.8 | Confident | 63.2 | Low | 57 Ų | 57 | 82.3 Ų | 82.3 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 83.1 | 2.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G451 | G451-G454 PolarHBondContact O-N 3.33Š|
| 455 | E | 76 | Confident | 62.6 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | | | trans | -72.1 | 140.4 | 177.5 | 66.9 | -147 | 138.8 | 0 | 0 | 111.9 | T450 G451 S453 L457 | T450-E455 CarbonylContact C-O 3.26Å; T450-E455 VanDerWaalsContact CA-O 3.29Å; T450-E455 WeakPolarHBondContact CA-O 3.46Å; G451-E455 PolarHBondContact N-O 3.4Å; S453-E455 VanDerWaalsContact C-N 3.32Å; S453-E455 VanDerWaalsContact CB-OE1 3.23Å; S453-E455 WeakPolarHBondContact CB-OE1 3.39Å; S453-E455 PolarHBondContact OG-OE1 3.13Å; E455-L457 HydrophobicContact CG-CD2 4.05Å; E455-L457 PolarHBondContact O-N 2.91Å |
| 456 | I | 76.2 | Confident | 61.7 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.8 | 176.8 | -60 | 173.7 | 0 | 0 | 0 | 108.9 | A448 L449 T450 | A448-I456 HydrophobicContact CB-CG2 4.39Å; L449-I456 CarbonylContact O-C 3.56Å; L449-I456 WeakPolarHBondContact O-CA 3.3Å; T450-I456 HydrophobicContact CG2-CG1 4.45Å |
| 457 | L | 75.6 | Confident | 60.6 | Low | 86 Ų | 86 | 88 Ų | 88 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | -16.6 | -179.8 | -62.9 | 176.9 | 0 | 0 | 0 | 113.1 | L449 E455 | L449-L457 HydrophobicContact CB-CB 4.36Å; L449-L457 PolarHBondContact O-N 2.78Å; E455-L457 HydrophobicContact CG-CD2 4.05Å; E455-L457 PolarHBondContact O-N 2.91Å |
| 458 | G | 75.5 | Confident | 58.9 | Low | 31 Ų | 31 | 88.6 Ų | 88.6 | 32% | 0.32 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 158.7 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L449 | L449-G458 PolarHBondContact N-O 3.39Å |
| 459 | T | 72.2 | Confident | 56.7 | Low | 92 Ų | 92 | 94.5 Ų | 94.5 | 56% | 0.564 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.5 | 174.4 | 48.9 | 0 | 0 | 0 | 0 | 111 | I447 A448 | I447-T459 CarbonylContact O-C 3.53Å; I447-T459 WeakPolarHBondContact O-CA 3.47Å; A448-T459 HydrophobicContact CB-CG2 4.24Å |
| 460 | I | 58.7 | Low | 54.9 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 45% | 0.451 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 111.8 | 172.1 | -56.8 | 176.6 | 0 | 0 | 0 | 107.8 | S446 I447 L449 I462 | S446-I460 CarbonylContact C-O 3.49Å; S446-I460 WeakPolarHBondContact CA-O 3.23Å; S446-I460 WeakPolarHBondContact CB-O 3.4Å; I447-I460 PolarHBondContact N-O 3.11Å; I447-I460 PolarHBondContact O-N 3.14Å; L449-I460 HydrophobicContact CD1-CD1 4.16Å; L449-I460 HydrophobicContact CD1-CG1 4.4Å; L449-I460 HydrophobicContact CD2-CD1 4.18Å; L449-I460 HydrophobicContact CG-CD1 4.31Å; L449-I460 HydrophobicContact CG-CG1 4.48Å; I460-I462 PolarHBondContact O-N 3.02Å |
| 461 | P | 53.3 | Low | 52.5 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 130 | 173 | 28.6 | -32.9 | 0 | 0 | 0 | 110.4 | A463 | P461-A463 PolarHBondContact O-N 2.9Å; P461-A463 VanDerWaalsContact O-N 3.13Å |
| 462 | I | 48 | Very low | 50.1 | Low | 84 Ų | 84 | 106.9 Ų | 106.9 | 43% | 0.431 | 65% | 0.652 | S | S | . | * | | | trans | -83.2 | 89.3 | 175.8 | -51.6 | 176.5 | 0 | 0 | 0 | 107.9 | P445 I447 I460 S464 | P445-I462 HydrophobicContact CB-CD1 4.38Å; P445-I462 HydrophobicContact CG-CB 4.33Å; P445-I462 WeakPolarHBondContact O-CB 3.33Å; P445-I462 PolarHBondContact O-N 2.99Å; I447-I462 HydrophobicContact CD1-CD1 4.05Å; I447-I462 HydrophobicContact CD1-CG1 4.24Å; I447-I462 HydrophobicContact CG1-CD1 3.84Å; I447-I462 HydrophobicContact CG1-CG1 4.03Å; I460-I462 PolarHBondContact O-N 3.02Å; I462-S464 PolarHBondContact O-N 3.29Å; I462-S464 VanDerWaalsContact O-N 3.13Å |
| 463 | A | 40.3 | Very low | 48.4 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | | | trans | -69.8 | 103.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P461 A465 | P461-A463 PolarHBondContact O-N 2.9Å; P461-A463 VanDerWaalsContact O-N 3.13Å; A463-A465 PolarHBondContact O-N 3.2Å |
| 464 | S | 34.5 | Very low | 46.7 | Very low | 110 Ų | 110 | 107.2 Ų | 107.2 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | | | trans | -71.4 | 107.4 | 175.5 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | I462 N466 | I462-S464 PolarHBondContact O-N 3.29Å; I462-S464 VanDerWaalsContact O-N 3.13Å; S464-N466 PolarHBondContact O-N 2.84Å; S464-N466 VanDerWaalsContact O-N 3.15Å |
| 465 | A | 30.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | | | trans | -80.8 | 92.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A463 | A463-A465 PolarHBondContact O-N 3.2Š|
| 466 | N | 31.4 | Very low | 42.7 | Very low | 144 Ų | 144 | 113.3 Ų | 113.3 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | | | trans | -148.9 | 156.2 | 172.8 | -118 | -22.4 | 0 | 0 | 0 | 112.2 | S464 | S464-N466 PolarHBondContact O-N 2.84Å; S464-N466 VanDerWaalsContact O-N 3.15Å |
| 467 | S | 33.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | | | trans | 55.3 | 108.6 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 468 | S | 29.2 | Very low | 38.4 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -70.5 | 172.3 | 163 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 469 | Q | 31.1 | Very low | 36.3 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | 98.2 | 150.6 | 164.6 | -55.8 | -175.9 | 1 | 0 | 0 | 116.9 | | |
| 470 | N | 29.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | 65.6 | 104.5 | -171.1 | -53 | -34.5 | 0 | 0 | 0 | 113.3 | | |
| 471 | I | 26.5 | Very low | 32.8 | Very low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | cis | 58.7 | 116.3 | 47 | -40.5 | 171.8 | 0 | 0 | 0 | 108.1 | | |
| 472 | I | 31.1 | Very low | 31.7 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | | -141.2 | 138.8 | 63.7 | -69.8 | 159 | 0 | 0 | 0 | 114.4 | | |
| 473 | S | 25.5 | Very low | 30.8 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -42.5 | 153.6 | 168.3 | -38.2 | 0 | 0 | 0 | 0 | 119 | | |
| 474 | S | 30.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -178.5 | 102.9 | 132.8 | -83.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 475 | A | 32.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | 178.4 | 131.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 476 | L | 31.3 | Very low | 29.5 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | | | trans | -80.7 | 150.8 | -169.9 | -77.8 | 52.9 | 0 | 0 | 0 | 113.4 | | |
| 477 | G | 30.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 170 | 81.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 478 | S | 30.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -79.5 | 130.9 | -170.3 | -53.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 479 | S | 30.6 | Very low | 28.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -159.4 | 144.8 | 134.7 | -167.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 480 | V | 28.8 | Very low | 28.5 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -72.2 | 135.2 | -174.6 | 175.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 481 | V | 29.8 | Very low | 28.3 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -157.5 | 145.6 | 136.6 | 161.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 482 | Q | 28.8 | Very low | 28.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -89.8 | 162.7 | 178.9 | -98 | 175.2 | -100.2 | 0 | 0 | 113.8 | | |
| 483 | P | 29.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -83.4 | 153.5 | -169 | 33.9 | -36.8 | 0 | 0 | 0 | 114.5 | | |
| 484 | C | 25.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | | | trans | -131.3 | 145 | 166.3 | -77.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 485 | S | 23.9 | Very low | 28 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -72.1 | 136.2 | -179.8 | -48.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 486 | I | 29.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | trans | -132.1 | 122.8 | 168.4 | -57.7 | -179.1 | 0 | 0 | 0 | 109 | | |
| 487 | S | 24.1 | Very low | 27.8 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -89.6 | 147.9 | 177 | -48.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 488 | N | 26 | Very low | 27.8 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 52.2 | 68.4 | 155.7 | -62.1 | -1.1 | 0 | 0 | 0 | 119.3 | | |
| 489 | S | 27 | Very low | 27.8 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -167.5 | 111.7 | 143 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 490 | L | 27.7 | Very low | 27.8 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -166.7 | 84.3 | 165.9 | -109.5 | 150.4 | 0 | 0 | 0 | 112 | | |
| 491 | T | 26.1 | Very low | 27.9 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -129.5 | 50.9 | 170.1 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 492 | T | 27.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | trans | -123.9 | 98.2 | 174.4 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | S494 | T492-S494 PolarHBondContact O-N 3.44Š|
| 493 | V | 26.9 | Very low | 28.4 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -79.1 | 102.7 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | V495 | V493-V495 HydrophobicContact CG1-CG2 4.42Å; V493-V495 PolarHBondContact O-N 3.42Å |
| 494 | S | 26.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -71.2 | 106.1 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | T492 T496 | T492-S494 PolarHBondContact O-N 3.44Å; S494-T496 PolarHBondContact O-N 3.44Å |
| 495 | V | 26.2 | Very low | 28.8 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | | | trans | -89.3 | 97.4 | 177.2 | -172.3 | 0 | 0 | 0 | 0 | 110 | V493 L497 | V493-V495 HydrophobicContact CG1-CG2 4.42Å; V493-V495 PolarHBondContact O-N 3.42Å; V495-L497 HydrophobicContact CB-CD1 4.47Å; V495-L497 HydrophobicContact CG1-CD1 3.77Å; V495-L497 HydrophobicContact CG1-CG 4.47Å; V495-L497 PolarHBondContact O-N 3.08Å |
| 496 | T | 28.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -83.2 | 94.8 | 176.1 | -44.4 | 0 | 0 | 0 | 0 | 110.2 | S494 | S494-T496 PolarHBondContact O-N 3.44Š|
| 497 | L | 30.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 121 Ų | 121 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -75.4 | 136.2 | 173.5 | -73.7 | 92.4 | 0 | 0 | 0 | 111.1 | V495 A499 | V495-L497 HydrophobicContact CB-CD1 4.47Å; V495-L497 HydrophobicContact CG1-CD1 3.77Å; V495-L497 HydrophobicContact CG1-CG 4.47Å; V495-L497 PolarHBondContact O-N 3.08Å; L497-A499 PolarHBondContact O-N 2.86Å |
| 498 | P | 30.7 | Very low | 30.9 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -69.9 | 122.5 | 170.2 | 29 | -33 | 0 | 0 | 0 | 110.2 | N500 | P498-N500 PolarHBondContact O-N 2.92Š|
| 499 | A | 29.6 | Very low | 31.6 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | | | trans | -81.5 | 107 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | L497 | L497-A499 PolarHBondContact O-N 2.86Š|
| 500 | N | 31.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | trans | -146.6 | 97 | 165.8 | -156.4 | 1.7 | 0 | 0 | 0 | 111.4 | P498 I502 | P498-N500 PolarHBondContact O-N 2.92Å; N500-I502 PolarHBondContact O-N 2.85Å |
| 501 | P | 30.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 111.2 Ų | 111.2 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | | | trans | -91.3 | 91 | -169.3 | 34.4 | -33.6 | 0 | 0 | 0 | 112.6 | | |
| 502 | I | 34.2 | Very low | 33.6 | Very low | 128 Ų | 128 | 106.3 Ų | 106.3 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | | | trans | -118.8 | 110.6 | 174.1 | -56.7 | -176.5 | 0 | 0 | 0 | 110.9 | N500 | N500-I502 PolarHBondContact O-N 2.85Š|
| 503 | T | 36.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 106.6 Ų | 106.6 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 54.1 | 100.2 | 164.2 | 58.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 504 | G | 29.5 | Very low | 35 | Very low | 77 Ų | 77 | 104.7 Ų | 104.7 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 113 | 134.4 | 138 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 505 | S | 33.5 | Very low | 35.5 | Very low | 99 Ų | 99 | 110.1 Ų | 110.1 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | | | trans | 64.8 | 49.8 | 161.1 | -163.7 | 0 | 0 | 0 | 0 | 118.7 | T507 | S505-T507 PolarHBondContact O-N 2.62Å; S505-T507 VanDerWaalsContact O-N 3.12Å |
| 506 | S | 36.6 | Very low | 36 | Very low | 103 Ų | 103 | 111 Ų | 111 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -11.1 | 173.4 | 51.7 | 0 | 0 | 0 | 0 | 116 | G508 | S506-G508 PolarHBondContact O-N 3.01Š|
| 507 | T | 43.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.8 | -13.8 | -177.5 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | S505 N511 | S505-T507 PolarHBondContact O-N 2.62Å; S505-T507 VanDerWaalsContact O-N 3.12Å; T507-N511 PolarHBondContact O-ND2 3.19Å |
| 508 | G | 40.6 | Very low | 36.6 | Very low | 39 Ų | 39 | 112.2 Ų | 112.2 | 40% | 0.402 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.4 | -56.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S506 A510 N511 T512 | S506-G508 PolarHBondContact O-N 3.01Å; G508-A510 VanDerWaalsContact C-N 3.3Å; G508-A510 PolarHBondContact O-N 3.18Å; G508-N511 PolarHBondContact O-N 2.84Å; G508-T512 PolarHBondContact O-N 2.85Å; G508-T512 PolarHBondContact O-OG1 2.86Å |
| 509 | L | 40.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.5 | -35.5 | -173.5 | -67.9 | 170.7 | 0 | 0 | 0 | 113.5 | N511 T512 L513 | L509-N511 VanDerWaalsContact C-N 3.26Å; L509-N511 PolarHBondContact O-N 3.39Å; L509-T512 WeakPolarHBondContact CA-OG1 3.46Å; L509-T512 PolarHBondContact O-N 3.18Å; L509-T512 PolarHBondContact O-OG1 3.17Å; L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 VanDerWaalsContact O-CG 3.31Å; L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 3.41Å |
| 510 | A | 40.9 | Very low | 37.1 | Very low | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -60.2 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G508 N514 | G508-A510 VanDerWaalsContact C-N 3.3Å; G508-A510 PolarHBondContact O-N 3.18Å; A510-N514 WeakPolarHBondContact O-CB 3.25Å; A510-N514 PolarHBondContact O-N 3.19Å |
| 511 | N | 40.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.8 | -36 | -179.2 | -74.8 | -57.6 | 0 | 0 | 0 | 112.9 | T507 G508 L509 W515 | T507-N511 PolarHBondContact O-ND2 3.19Å; G508-N511 PolarHBondContact O-N 2.84Å; L509-N511 VanDerWaalsContact C-N 3.26Å; L509-N511 PolarHBondContact O-N 3.39Å; N511-W515 PolarHBondContact O-N 3.02Å |
| 512 | T | 41 | Very low | 37.2 | Very low | 44 Ų | 44 | 106.3 Ų | 106.3 | 27% | 0.27 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.8 | -38.7 | 173.9 | 30.4 | 0 | 0 | 0 | 0 | 112.4 | G508 L509 N514 W515 L516 | G508-T512 PolarHBondContact O-N 2.85Å; G508-T512 PolarHBondContact O-OG1 2.86Å; L509-T512 WeakPolarHBondContact CA-OG1 3.46Å; L509-T512 PolarHBondContact O-N 3.18Å; L509-T512 PolarHBondContact O-OG1 3.17Å; T512-N514 VanDerWaalsContact C-N 3.33Å; T512-N514 PolarHBondContact O-N 3.06Å; T512-W515 WeakPolarHBondContact O-CB 3.5Å; T512-W515 PolarHBondContact O-N 3.05Å; T512-L516 PolarHBondContact O-N 3.26Å |
| 513 | L | 43.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.3 | -35.3 | 174.1 | -71.5 | 170.7 | 0 | 0 | 0 | 112.4 | L509 W515 L516 R517 | L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 VanDerWaalsContact O-CG 3.31Å; L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 3.41Å; L513-W515 VanDerWaalsContact C-N 3.32Å; L513-W515 PolarHBondContact O-N 2.98Å; L513-L516 PolarHBondContact O-N 3.44Å; L513-R517 PolarHBondContact O-N 3.08Å |
| 514 | N | 40.9 | Very low | 37.1 | Very low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69 | -29.8 | 176.6 | -149 | 21.5 | 0 | 0 | 0 | 112.4 | A510 T512 R517 C518 | A510-N514 WeakPolarHBondContact O-CB 3.25Å; A510-N514 PolarHBondContact O-N 3.19Å; T512-N514 VanDerWaalsContact C-N 3.33Å; T512-N514 PolarHBondContact O-N 3.06Å; N514-R517 PolarHBondContact O-N 3.12Å; N514-C518 PolarHBondContact O-N 2.82Å; N514-C518 PolarHBondContact O-SG 3.44Å; N514-C518 VanDerWaalsContact O-SG 3.38Å |
| 515 | W | 37.2 | Very low | 37.3 | Very low | 217 Ų | 217 | 108.1 Ų | 108.1 | 82% | 0.822 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.4 | -43.4 | 171.9 | -99.5 | 75.7 | 0 | 0 | 0 | 112.7 | N511 T512 L513 R517 C518 | N511-W515 PolarHBondContact O-N 3.02Å; T512-W515 WeakPolarHBondContact O-CB 3.5Å; T512-W515 PolarHBondContact O-N 3.05Å; L513-W515 VanDerWaalsContact C-N 3.32Å; L513-W515 PolarHBondContact O-N 2.98Å; W515-R517 VanDerWaalsContact C-N 3.26Å; W515-R517 PolarHBondContact O-N 3.1Å; W515-C518 PolarHBondContact O-N 3.13Å |
| 516 | L | 36.3 | Very low | 37.2 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.1 | -31.5 | 176 | -77 | 164.1 | 0 | 0 | 0 | 112.2 | T512 L513 C518 A519 | T512-L516 PolarHBondContact O-N 3.26Å; L513-L516 PolarHBondContact O-N 3.44Å; L516-C518 VanDerWaalsContact C-N 3.29Å; L516-C518 PolarHBondContact O-N 3.5Å; L516-A519 PolarHBondContact O-N 3Å |
| 517 | R | 35.8 | Very low | 37.1 | Very low | 202 Ų | 202 | 110.9 Ų | 110.9 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -18.2 | 177.2 | -144.4 | 176.6 | -164.3 | 178.9 | 5.1 | 114.2 | L513 N514 W515 | L513-R517 PolarHBondContact O-N 3.08Å; N514-R517 PolarHBondContact O-N 3.12Å; W515-R517 VanDerWaalsContact C-N 3.26Å; W515-R517 PolarHBondContact O-N 3.1Å |
| 518 | C | 34.8 | Very low | 36.5 | Very low | 96 Ų | 96 | 115 Ų | 115 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -9.8 | 177.9 | -69.1 | 0 | 0 | 0 | 0 | 113.9 | N514 W515 L516 | N514-C518 PolarHBondContact O-N 2.82Å; N514-C518 PolarHBondContact O-SG 3.44Å; N514-C518 VanDerWaalsContact O-SG 3.38Å; W515-C518 PolarHBondContact O-N 3.13Å; L516-C518 VanDerWaalsContact C-N 3.29Å; L516-C518 PolarHBondContact O-N 3.5Å |
| 519 | A | 37.7 | Very low | 36.1 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -8.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L516 | L516-A519 PolarHBondContact O-N 3Š|
| 520 | T | 33.7 | Very low | 35.6 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 12.1 | -170.8 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 521 | A | 32.7 | Very low | 35.1 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | | | trans | -113.6 | 83.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | V523 | A521-V523 HydrophobicContact CB-CG2 4.35Å; A521-V523 PolarHBondContact O-N 3.12Å |
| 522 | T | 32 | Very low | 34.6 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | | | trans | -77.2 | 95.9 | 160.2 | 39.3 | 0 | 0 | 0 | 0 | 109.3 | Q398 | Q398-T522 PolarHBondContact NE2-OG1 3.34Š|
| 523 | V | 36.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | | | trans | -129.3 | 119.8 | 180 | -179 | 0 | 0 | 0 | 0 | 109.8 | A521 | A521-V523 HydrophobicContact CB-CG2 4.35Å; A521-V523 PolarHBondContact O-N 3.12Å |
| 524 | D | 30.8 | Very low | 33.4 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -67 | 132.4 | 174.5 | -80.8 | -63.4 | 0 | 0 | 0 | 111.5 | N526 | D524-N526 PolarHBondContact O-N 2.71Š|
| 525 | P | 33.8 | Very low | 33 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -82.8 | 61.5 | -176.3 | 35 | -36.9 | 0 | 0 | 0 | 111.9 | | |
| 526 | N | 33 | Very low | 33.1 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -158 | 52.3 | 176.4 | -105.9 | -21.8 | 0 | 0 | 0 | 115.5 | D524 | D524-N526 PolarHBondContact O-N 2.71Š|
| 527 | S | 34.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | -152.9 | 103.8 | 160.2 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 528 | H | 30.5 | Very low | 32.7 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | | | trans | -80.8 | 114.9 | 164.8 | -94.3 | -90.7 | 0 | 0 | 0 | 109.4 | | |
| 529 | H | 32.2 | Very low | 32.6 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -138.2 | 130 | 154.3 | -121.7 | -84 | 0 | 0 | 0 | 110.6 | | |
| 530 | V | 28.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | | | trans | -85.9 | 119.4 | -177.2 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 531 | I | 31.2 | Very low | 32.3 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -128.7 | 130.4 | 158.2 | -60.6 | -177.1 | 0 | 0 | 0 | 107.1 | | |
| 532 | N | 29.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -106.2 | 160.1 | -172.1 | -147 | 9.6 | 0 | 0 | 0 | 110.4 | | |
| 533 | S | 30 | Very low | 31.9 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | trans | 58.6 | 100.8 | 158.7 | -54 | 0 | 0 | 0 | 0 | 119.4 | | |
| 534 | F | 29.4 | Very low | 31.5 | Very low | 214 Ų | 214 | 134 Ų | 134 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | -141.9 | 124.3 | 137.1 | -103.8 | -79.6 | 0 | 0 | 0 | 109.7 | | |
| 535 | N | 31.8 | Very low | 31.4 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -150 | 106 | 177.2 | -173.4 | 29.5 | 0 | 0 | 0 | 110.1 | | |
| 536 | P | 40.9 | Very low | 31.3 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -85 | 125.3 | 176.8 | 32.8 | -30.7 | 0 | 0 | 0 | 110.5 | | |
| 537 | G | 29 | Very low | 31.4 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | -117.2 | 154.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 538 | A | 33.6 | Very low | 31.3 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | trans | -163.7 | 139.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 539 | N | 31.9 | Very low | 31.4 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | 66.1 | 136.5 | 154.2 | -53.5 | -19.6 | 0 | 0 | 0 | 118.3 | | |
| 540 | A | 32.3 | Very low | 31.8 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | cis | -160.7 | 171.5 | -9.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 541 | S | 32.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | 64.4 | 139.6 | 171.4 | 62.3 | 0 | 0 | 0 | 0 | 118 | | |
| 542 | S | 31.3 | Very low | 32.3 | Very low | 90 Ų | 90 | 120.7 Ų | 120.7 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | cis | -167.7 | 139.6 | -12 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 543 | F | 26.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 121.9 Ų | 121.9 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | 61.1 | 148.8 | 164.7 | -54.9 | -67.9 | 0 | 0 | 0 | 118.7 | | |
| 544 | S | 27.9 | Very low | 32.9 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | cis | -173.5 | 134.1 | -25.4 | 50.9 | 0 | 0 | 0 | 0 | 112 | | |
| 545 | V | 28.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | 68.8 | 140.3 | 144.5 | 179 | 0 | 0 | 0 | 0 | 115.5 | | |
| 546 | T | 31.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 118 Ų | 118 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | cis | -152.6 | 158.3 | 37.6 | -24.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 547 | S | 34.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 118.4 Ų | 118.4 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | 19.4 | 146.9 | 148.8 | 60.3 | 0 | 0 | 0 | 0 | 123 | | |
| 548 | G | 32.9 | Very low | 33.7 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | | | cis | 169.5 | 157.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 549 | N | 31.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | trans | -80.3 | -178.2 | 173.4 | -137 | 0.5 | 0 | 0 | 0 | 110.1 | | |
| 550 | P | 41.7 | Very low | 34.2 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | | | cis | -158.4 | 175.4 | 38.7 | 47.1 | -25.4 | 0 | 0 | 0 | 120.4 | | |
| 551 | V | 34.6 | Very low | 34.7 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | | | trans | 63.7 | 155.1 | 134.5 | 160 | 0 | 0 | 0 | 0 | 119.2 | | |
| 552 | A | 35.6 | Very low | 35.1 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 57% | 0.57 | 72% | 0.721 | S | S | * | * | | | cis | -147.4 | 168.4 | 14.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 553 | L | 35.4 | Very low | 35.6 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | | | trans | 153.6 | 109.3 | 134.2 | -82.5 | 172.4 | 0 | 0 | 0 | 108.1 | | |
| 554 | L | 37.1 | Very low | 36.1 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | | | | 71.6 | 129.9 | 55.1 | -62.6 | 174.8 | 0 | 0 | 0 | 113.1 | | |
| 555 | Q | 38.4 | Very low | 36.3 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | cis | -167.2 | 170.2 | -1 | -175.1 | 171.7 | -24.7 | 0 | 0 | 112.3 | | |
| 556 | S | 34 | Very low | 36.7 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | trans | 82.8 | 150.7 | 155.6 | -77.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 557 | L | 32.4 | Very low | 36.7 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | | | cis | -174 | 178.5 | -33.2 | -120.7 | 169 | 0 | 0 | 0 | 109.7 | | |
| 558 | V | 41.5 | Very low | 36.7 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | | | trans | 71.4 | 121.3 | 172.7 | -167.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 559 | T | 37 | Very low | 36.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | cis | 94.9 | 103.4 | 15.4 | 75.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 560 | H | 41 | Very low | 37 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | trans | -175.2 | 140.5 | 137 | -117.1 | -126.2 | 0 | 0 | 0 | 115.4 | | |
| 561 | Q | 41.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | trans | 47.6 | 156.5 | 132.2 | -76.2 | -172.2 | -22.5 | 0 | 0 | 123.4 | | |
| 562 | Q | 41.8 | Very low | 36.6 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | | | cis | -175.3 | 137.4 | -8.6 | 158.3 | 169.6 | -6.7 | 0 | 0 | 113.1 | | |
| 563 | Q | 41.3 | Very low | 36.5 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | | | trans | 49.4 | 176.3 | 151.8 | -72.3 | 171.5 | -17.9 | 0 | 0 | 121 | | |
| 564 | Q | 38 | Very low | 36.4 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | | | cis | -158.9 | 140.9 | -49.6 | -108.7 | 175 | -25.7 | 0 | 0 | 109 | | |
| 565 | G | 32.5 | Very low | 36.3 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | | | trans | 69.6 | 137 | 145.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 566 | V | 35.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 92% | 0.915 | 72% | 0.719 | S | S | * | * | | | | 179.8 | 158.5 | 126.6 | 149.3 | 0 | 0 | 0 | 0 | 108 | | |
| 567 | Q | 32.6 | Very low | 35.7 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | | | trans | -103.3 | 168.3 | -170.8 | -64.5 | 177 | -36.6 | 0 | 0 | 114 | | |
| 568 | A | 35.5 | Very low | 35.7 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | | | trans | 96.9 | 124.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 569 | Q | 36 | Very low | 35 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | 84.1 | 132.1 | 131.3 | -84.4 | -175.2 | -34.6 | 0 | 0 | 123.9 | | |
| 570 | I | 33.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | trans | 85.2 | 97.2 | 137.6 | -67.7 | 167.6 | 0 | 0 | 0 | 119.8 | | |
| 571 | Q | 35.7 | Very low | 34 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | | | | 73.9 | 111.7 | 115.9 | -155.2 | 92.4 | -34 | 0 | 0 | 122 | | |
| 572 | K | 31.3 | Very low | 33.5 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 37% | 0.365 | 75% | 0.751 | S | S | . | * | | | trans | 49.4 | 118.4 | 145.1 | -64.2 | 174.9 | 178.9 | -179.3 | 0 | 121.3 | T387 | T387-K572 VanDerWaalsContact CB-NZ 3.3Å; T387-K572 HydrophobicContact CG2-CD 4.44Å; T387-K572 WeakPolarHBondContact O-CE 3.35Å; T387-K572 PolarHBondContact O-NZ 2.9Å; T387-K572 PolarHBondContact OG1-NZ 3.19Å |
| 573 | Q | 34.6 | Very low | 33.1 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | | | | -162.3 | 151.5 | 117.4 | -111.2 | 154.6 | 94.9 | 0 | 0 | 114.7 | | |
| 574 | Q | 33.1 | Very low | 33 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -107.7 | -171.6 | 166.3 | -113.8 | 176.5 | -14.8 | 0 | 0 | 107.4 | | |
| 575 | P | 34.9 | Very low | 32.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | cis | -113.5 | -143.9 | 13.4 | 21 | 6.1 | 0 | 0 | 0 | 111.6 | | |
| 576 | L | 33.8 | Very low | 32.8 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | cis | -142.5 | 175.3 | 12.6 | -68.2 | 94.9 | 0 | 0 | 0 | 112.5 | | |
| 577 | Q | 26.9 | Very low | 32.6 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -133.2 | 161 | 158.7 | -73.5 | -171.5 | -25.1 | 0 | 0 | 110.3 | | |
| 578 | P | 31 | Very low | 32.6 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | trans | -100.3 | 149.4 | 151.5 | 36.1 | -28.4 | 0 | 0 | 0 | 111.6 | | |
| 579 | A | 27.7 | Very low | 32.4 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | trans | -145.2 | 146.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 580 | F | 27.7 | Very low | 32.2 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | | | trans | -144.4 | 125.5 | 168.1 | -60.5 | -84 | 0 | 0 | 0 | 106.4 | | |
| 581 | S | 29.6 | Very low | 32.1 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | cis | 75.5 | 123.1 | 48.4 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 582 | V | 31.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | cis | -154.6 | 169.2 | 0.9 | 100.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 583 | G | 32.7 | Very low | 31.8 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | cis | -171.7 | -98.4 | 5.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 584 | P | 40.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -110.1 | 173.4 | -155 | 42.4 | -33.7 | 0 | 0 | 0 | 115 | | |
| 585 | T | 35.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | cis | -152.1 | 156.3 | 19.5 | -17.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 586 | L | 31 | Very low | 31.5 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | cis | 66.1 | 143.3 | 32.3 | -58.8 | 176.1 | 0 | 0 | 0 | 113.7 | | |
| 587 | A | 30 | Very low | 31.7 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | | | cis | -125.5 | -173.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | I589 | A587-I589 HydrophobicContact CB-CD1 4.33Š|
| 588 | L | 33.2 | Very low | 32 | Very low | 119 Ų | 119 | 122 Ų | 122 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | | | cis | -140.3 | 151.6 | 31.2 | -69.1 | 140.7 | 0 | 0 | 0 | 108.9 | E1074 | L588-E1074 VanDerWaalsContact CD1-OE2 3.31Å; L588-E1074 WeakPolarHBondContact CD1-OE2 3.36Å |
| 589 | I | 29.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 121 Ų | 121 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | cis | 80.5 | 113.2 | 40 | -57.7 | 175.6 | 0 | 0 | 0 | 113.9 | A587 | A587-I589 HydrophobicContact CB-CD1 4.33Š|
| 590 | G | 32.1 | Very low | 31.8 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | | | trans | 142.4 | 99.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 591 | T | 31.7 | Very low | 32 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | | 57.8 | 123 | 86.5 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 592 | L | 31.1 | Very low | 32 | Very low | 170 Ų | 170 | 119.6 Ų | 119.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | cis | -138.2 | 168.6 | 1.1 | -75.5 | 116.4 | 0 | 0 | 0 | 107.3 | | |
| 593 | G | 30.3 | Very low | 32 | Very low | 67 Ų | 67 | 119.7 Ų | 119.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | cis | 111.8 | 88.1 | 31.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 594 | L | 32 | Very low | 31.8 | Very low | 177 Ų | 177 | 120 Ų | 120 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | -101 | 110.6 | 176.5 | -72.9 | 173.7 | 0 | 0 | 0 | 109.8 | | |
| 595 | N | 32.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 145.1 | 174.3 | -85.8 | -9 | 0 | 0 | 0 | 111.6 | | |
| 596 | S | 32.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 148.2 | 174.7 | -47.9 | 0 | 0 | 0 | 0 | 112 | | |
| 597 | P | 36.7 | Very low | 31.9 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 135.7 | 156.4 | 30.5 | -32.8 | 0 | 0 | 0 | 109 | | |
| 598 | A | 32.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 140.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 599 | A | 30.1 | Very low | 32.2 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -100.3 | 108.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 600 | C | 25.8 | Very low | 32.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -70.8 | 138.3 | -177.6 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 601 | S | 30.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -156.2 | 94.4 | 165.8 | -80.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 602 | V | 29.8 | Very low | 32.3 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 51.3 | 106.3 | 142.4 | -167 | 0 | 0 | 0 | 0 | 119.3 | | |
| 603 | T | 31.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | | | | 177.9 | 149.4 | 120.5 | 24.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 604 | G | 29.8 | Very low | 32.6 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | 107.3 | 73.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 605 | Q | 31.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | trans | 39 | 114.9 | 139.8 | -62.8 | 167.8 | -82.5 | 0 | 0 | 122.5 | | |
| 606 | H | 37 | Very low | 32.8 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | | 23.1 | 156.8 | 116.2 | -103.2 | -99.5 | 0 | 0 | 0 | 121.3 | | |
| 607 | P | 40.4 | Very low | 32.9 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | | | cis | -144.4 | 168.1 | 8.8 | 46.2 | -28.5 | 0 | 0 | 0 | 118.6 | | |
| 608 | S | 35.9 | Very low | 32.7 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | | 51.5 | 152.9 | 129.2 | 71.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 609 | E | 33.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | cis | -164.6 | 138 | -5.7 | -109.3 | 154.9 | -139.6 | 0 | 0 | 108.5 | | |
| 610 | T | 34.3 | Very low | 32.9 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | | 65.3 | 155 | 90.1 | 79.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 611 | T | 32.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | cis | -175.1 | -175.7 | -24.7 | -79.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 612 | F | 29.3 | Very low | 33.7 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | 100.7 | 140.6 | 151.6 | -58 | -73.6 | 0 | 0 | 0 | 119.5 | | |
| 613 | T | 32.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | | | cis | -176.1 | 172.2 | -36.6 | 23.3 | 0 | 0 | 0 | 0 | 111 | | |
| 614 | S | 35.5 | Very low | 33.7 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | 89.4 | 153.6 | 143.7 | 87.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 615 | N | 32.4 | Very low | 33.9 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | cis | -169.7 | 162.2 | -25.1 | -107.1 | -8 | 0 | 0 | 0 | 111.8 | | |
| 616 | T | 35.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | trans | 63.4 | 151.4 | 165.7 | 59.2 | 0 | 0 | 0 | 0 | 119 | | |
| 617 | G | 34.1 | Very low | 33.9 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | cis | 168.6 | 159.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 618 | L | 32.6 | Very low | 33.6 | Very low | 169 Ų | 169 | 121 Ų | 121 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | | | trans | 82.5 | 129.6 | 156.1 | -121.1 | 72.2 | 0 | 0 | 0 | 124.5 | | |
| 619 | S | 33.9 | Very low | 33.5 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | trans | 66.5 | 101 | 141.9 | 52.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 620 | T | 33.5 | Very low | 33.4 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | | | | 27 | 159.9 | 110.3 | 58.8 | 0 | 0 | 0 | 0 | 123 | | |
| 621 | P | 41.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | cis | -142.9 | -154.5 | -28 | 37.7 | -14.7 | 0 | 0 | 0 | 114.5 | | |
| 622 | V | 31.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | 107.6 | 90.8 | 158.1 | -168.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 623 | S | 30.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | | 52.6 | 138.8 | 120.9 | -42.9 | 0 | 0 | 0 | 0 | 126.5 | | |
| 624 | T | 30 | Very low | 33.4 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | 89.7 | 121.8 | 143.4 | -13.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 625 | V | 33.7 | Very low | 33.2 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | | | | 177.9 | 156.8 | 114.2 | 152.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 626 | L | 32.6 | Very low | 33.3 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -123.7 | -166.4 | -171.5 | -107.9 | -45.4 | 0 | 0 | 0 | 108.9 | | |
| 627 | P | 36.8 | Very low | 33.3 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | cis | -142.8 | 171.1 | -18.6 | 36.3 | -15.1 | 0 | 0 | 0 | 118.4 | | |
| 628 | S | 33.1 | Very low | 33.6 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | 59.6 | 165.8 | 130.4 | 74.3 | 0 | 0 | 0 | 0 | 127.5 | | |
| 629 | T | 34.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | | | trans | 100.9 | 142.4 | 158 | 71.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 630 | L | 30.9 | Very low | 33.9 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | cis | -165.3 | 162.5 | -14.9 | -111.6 | 171.3 | 0 | 0 | 0 | 112.1 | | |
| 631 | H | 35.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | | | trans | 67.6 | 158.3 | 155.2 | -70 | 150.2 | 0 | 0 | 0 | 121.5 | | |
| 632 | N | 32 | Very low | 33.8 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | cis | -171.8 | 156.4 | -39.6 | -123 | 10.7 | 0 | 0 | 0 | 112.2 | | |
| 633 | N | 30.9 | Very low | 34 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 64.9 | 153.9 | 153.2 | -81.3 | 7.3 | 0 | 0 | 0 | 121.6 | | |
| 634 | V | 31.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | | | cis | -167.6 | 151.8 | -23.4 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 635 | Q | 30.9 | Very low | 35 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | 61.2 | 155.2 | 161.1 | -84.2 | 154.7 | -37.9 | 0 | 0 | 119.7 | | |
| 636 | S | 34.4 | Very low | 35.2 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | cis | -149.2 | 158 | -3 | 45.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 637 | G | 35.2 | Very low | 35.3 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | trans | -85.5 | -158.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 638 | P | 40.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | cis | -139.6 | -174.4 | 43.8 | 43 | -25 | 0 | 0 | 0 | 117.9 | | |
| 639 | V | 36.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -35.6 | 161.7 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 640 | N | 38 | Very low | 36 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | | | cis | -158.9 | 162.7 | 33.8 | 46 | 25.2 | 0 | 0 | 0 | 111.8 | | |
| 641 | S | 41.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | cis | 177.6 | 116.8 | -20.6 | -86.6 | 0 | 0 | 0 | 0 | 105.7 | A643 | S641-A643 PolarHBondContact O-N 3.03Å; S641-A643 VanDerWaalsContact O-N 3.16Å |
| 642 | N | 31 | Very low | 36.4 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | | | trans | -65.7 | 110.4 | -177.6 | -68.4 | -55.3 | 0 | 0 | 0 | 112.5 | | |
| 643 | A | 36.1 | Very low | 36.5 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | | | trans | -105.5 | -17.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | S641 | S641-A643 PolarHBondContact O-N 3.03Å; S641-A643 VanDerWaalsContact O-N 3.16Å |
| 644 | A | 38.8 | Very low | 36.6 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -86.9 | -17.9 | -165 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 645 | L | 41.3 | Very low | 36.8 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -112.2 | -3.5 | -166.2 | -115.9 | 164.5 | 0 | 0 | 0 | 115.4 | | |
| 646 | V | 39.3 | Very low | 36.7 | Very low | 90 Ų | 90 | 124 Ų | 124 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | S | Bend | trans | -103.6 | -25.6 | -177.5 | 178 | 0 | 0 | 0 | 0 | 112.6 | A648 A649 L650 | V646-A648 PolarHBondContact O-N 2.81Å; V646-A649 PolarHBondContact O-N 2.86Å; V646-L650 HydrophobicContact CG1-CD1 3.72Å |
| 647 | A | 35.3 | Very low | 36.6 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -22.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 648 | A | 39.5 | Very low | 36.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -13 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V646 | V646-A648 PolarHBondContact O-N 2.81Š|
| 649 | A | 38.8 | Very low | 36 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -13.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V646 | V646-A649 PolarHBondContact O-N 2.86Š|
| 650 | L | 40.1 | Very low | 35.6 | Very low | 127 Ų | 127 | 131 Ų | 131 | 67% | 0.665 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -98.4 | 8.1 | -164.6 | -82.6 | 173.6 | 0 | 0 | 0 | 116.9 | V646 | V646-L650 HydrophobicContact CG1-CD1 3.72Š|
| 651 | L | 38.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.8 | 40.3 | -175.2 | -67 | 176.6 | 0 | 0 | 0 | 114.3 | | |
| 652 | R | 35.3 | Very low | 34.8 | Very low | 239 Ų | 239 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -138.8 | 9.3 | 176.8 | -97.9 | -169 | 175.7 | 94.6 | 1.9 | 116.9 | | |
| 653 | S | 33.9 | Very low | 35 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -152.1 | 154.4 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 654 | L | 34.2 | Very low | 35 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | 67.6 | 107.8 | -176.8 | -45.5 | 178.6 | 0 | 0 | 0 | 112.9 | | |
| 655 | T | 34.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | | | cis | 69.3 | 101 | 23.9 | 81.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 656 | N | 29.3 | Very low | 34.5 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | 42.8 | 123.2 | 148.5 | -57.8 | -13.7 | 0 | 0 | 0 | 120.4 | | |
| 657 | V | 33.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 134 Ų | 134 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | | | | -173.8 | 173.7 | 108.8 | 146.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 658 | K | 30.2 | Very low | 34.4 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -114.5 | 176.6 | -159.2 | -164.5 | -171.1 | 178.5 | -177.1 | 0 | 111.5 | | |
| 659 | Q | 31.1 | Very low | 34.1 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | 79.9 | 148.1 | 162.8 | -69.2 | 174.6 | -91.2 | 0 | 0 | 116.7 | | |
| 660 | S | 29.4 | Very low | 33.8 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | | | cis | -171.4 | 170.8 | -10.4 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 661 | N | 30.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | 78 | 146.4 | 156.2 | -69.2 | 3.3 | 0 | 0 | 0 | 117.6 | | |
| 662 | Q | 31.4 | Very low | 33.2 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | cis | -167 | 177.7 | -7.6 | 167.9 | 168.8 | -9.7 | 0 | 0 | 110.4 | | |
| 663 | E | 34.4 | Very low | 33 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | 82.4 | 138 | 172.6 | -57.5 | -150.9 | 77 | 0 | 0 | 117.9 | | |
| 664 | L | 36 | Very low | 32.8 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | | | cis | -155.7 | 129.4 | -21.7 | -149.1 | 73.2 | 0 | 0 | 0 | 112.5 | | |
| 665 | T | 34.1 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | | | trans | 49.8 | 151.1 | 146.5 | 56.5 | 0 | 0 | 0 | 0 | 126.9 | | |
| 666 | D | 37 | Very low | 32.5 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | trans | 82.6 | 137.3 | 150.4 | -67.1 | -45.8 | 0 | 0 | 0 | 122.1 | | |
| 667 | S | 37 | Very low | 33.8 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | | | cis | -171.5 | 147.1 | -23.9 | -114.4 | 0 | 0 | 0 | 0 | 112 | | |
| 668 | N | 34.4 | Very low | 34 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | trans | 67 | 157.3 | 153 | -64.3 | -23.9 | 0 | 0 | 0 | 119.6 | | |
| 669 | T | 33.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | | | cis | -170 | 130.2 | -11.3 | 29.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 670 | I | 32 | Very low | 34.2 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | | | | 103.4 | 142.5 | 102.9 | -76.3 | 179.4 | 0 | 0 | 0 | 117.5 | | |
| 671 | D | 34.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | 60.5 | 161.7 | 159 | -72.7 | -7.9 | 0 | 0 | 0 | 123.9 | | |
| 672 | A | 31.6 | Very low | 34.2 | Very low | 66 Ų | 66 | 131 Ų | 131 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | | | cis | -175.3 | 163.7 | -34.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 673 | N | 30.2 | Very low | 34 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | 57 | 119 | 154.4 | -63 | -32.8 | 0 | 0 | 0 | 119.6 | | |
| 674 | S | 30.2 | Very low | 34 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | | 76.7 | 122 | 68.9 | -173.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 675 | Y | 32.2 | Very low | 33.6 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | | | | -172.5 | 174.9 | 124 | -118.6 | -99.7 | 0 | 0 | 0 | 113.7 | | |
| 676 | N | 30.2 | Very low | 33.3 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -91.8 | 165.3 | -160.9 | -93.9 | -48.8 | 0 | 0 | 0 | 117.6 | | |
| 677 | P | 56.2 | Low | 32.9 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | trans | -82.4 | -177.2 | 167 | 38.2 | -37 | 0 | 0 | 0 | 112.3 | | |
| 678 | P | 39 | Very low | 32.5 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | | | | -145.2 | 178.8 | 117.3 | 39.2 | -24.8 | 0 | 0 | 0 | 115.8 | | |
| 679 | A | 32.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -85.2 | 169.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 680 | S | 32.4 | Very low | 32.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | | | trans | -155.3 | 154 | 139.3 | 38.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 681 | L | 26.5 | Very low | 32.3 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | | | trans | -85.5 | 163 | -178.8 | -66.5 | 150 | 0 | 0 | 0 | 111.3 | | |
| 682 | T | 33.4 | Very low | 32 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 83% | 0.828 | 72% | 0.715 | S | S | * | * | | | | -176 | 145 | 120.6 | -73.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 683 | L | 27.5 | Very low | 31.9 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | -85.6 | 158.1 | 174.6 | -58.1 | 92.3 | 0 | 0 | 0 | 111.3 | | |
| 684 | I | 33.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | | | trans | -164.1 | 157.8 | 132 | -99.5 | 149.3 | 0 | 0 | 0 | 108.6 | | |
| 685 | T | 27.8 | Very low | 32 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | | | trans | -116.2 | 176.8 | -161 | 56 | 0 | 0 | 0 | 0 | 113.3 | | |
| 686 | N | 27.4 | Very low | 32 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | | | trans | 71.5 | 142.3 | 155.8 | -63.3 | -4.6 | 0 | 0 | 0 | 117.4 | | |
| 687 | S | 28.9 | Very low | 32.2 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | | | cis | -173.2 | 173.1 | -11.3 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 688 | I | 29.7 | Very low | 31 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 54% | 0.544 | 73% | 0.732 | S | S | . | * | | | trans | 75.1 | 102.3 | 147.7 | -74 | 160.6 | 0 | 0 | 0 | 119.8 | E162 | E162-I688 HydrophobicContact CG-CB 4.32Å; E162-I688 HydrophobicContact CG-CG1 4.4Å; E162-I688 HydrophobicContact CG-CG2 4.13Å; E162-I688 VanDerWaalsContact OE2-C 3.25Å; E162-I688 WeakPolarHBondContact OE2-CG2 3.3Å |
| 689 | P | 30 | Very low | 30.8 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 51% | 0.513 | 74% | 0.735 | S | S | . | * | | | trans | -106.6 | 107.5 | 169.9 | 31.2 | -29.5 | 0 | 0 | 0 | 120.8 | E162 C163 | E162-P689 CarbonylContact C-O 3.54Å; E162-P689 WeakPolarHBondContact CA-O 3.39Å; E162-P689 HydrophobicContact CB-CB 4.48Å; E162-P689 VanDerWaalsContact CB-CD 3.4Å; E162-P689 HydrophobicContact CB-CG 3.74Å; E162-P689 WeakPolarHBondContact CB-O 3.25Å; E162-P689 HydrophobicContact CG-CG 4.41Å; E162-P689 WeakPolarHBondContact OE2-CA 3.4Å; E162-P689 VanDerWaalsContact OE2-N 3.09Å; C163-P689 PolarHBondContact N-O 3.46Å |
| 690 | S | 33.4 | Very low | 30.7 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | | | trans | -29.6 | 115.8 | -177 | 23.7 | 0 | 0 | 0 | 0 | 121.2 | E162 | E162-S690 WeakPolarHBondContact OE1-CA 3.48Å; E162-S690 WeakPolarHBondContact OE1-CB 3.43Å; E162-S690 PolarHBondContact OE1-OG 2.94Å; E162-S690 WeakPolarHBondContact OE2-CB 3.48Å; E162-S690 PolarHBondContact OE2-N 2.92Å; E162-S690 PolarHBondContact OE2-OG 3.24Å |
| 691 | S | 31.8 | Very low | 30.6 | Very low | 59 Ų | 59 | 124 Ų | 124 | 41% | 0.413 | 73% | 0.73 | S | S | . | * | | | trans | -70.4 | 140.1 | 171.4 | 64.7 | 0 | 0 | 0 | 0 | 116.7 | E162 C163 | E162-S691 PolarHBondContact OE1-N 3.28Å; C163-S691 VanDerWaalsContact SG-CB 3.57Å |
| 692 | V | 28.6 | Very low | 30.9 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | | | trans | -73.4 | 146.8 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 693 | N | 28.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -155.9 | 163.6 | 168.8 | -155.2 | -4.5 | 0 | 0 | 0 | 114.8 | | |
| 694 | V | 29.2 | Very low | 31 | Very low | 106 Ų | 106 | 121 Ų | 121 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | | | trans | 77.7 | 106.5 | 163.5 | -168.2 | 0 | 0 | 0 | 0 | 120.1 | A696 | V694-A696 HydrophobicContact CG1-CB 4.07Š|
| 695 | V | 32.3 | Very low | 30.8 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | | | | -140.4 | 92.6 | 129.5 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 696 | A | 32.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | | 77 | 104.8 | 73.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V694 | V694-A696 HydrophobicContact CG1-CB 4.07Š|
| 697 | S | 34.8 | Very low | 31.1 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | -169.3 | 99.7 | 141.2 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 698 | T | 31.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | | | trans | -137.2 | 115.9 | 164.4 | 45 | 0 | 0 | 0 | 0 | 108 | | |
| 699 | K | 33.5 | Very low | 31.2 | Very low | 208 Ų | 208 | 125.2 Ų | 125.2 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | | | trans | -79.6 | 141.3 | -179.3 | -165.2 | 173.6 | -179.2 | -178.3 | 0 | 110 | | |
| 700 | A | 30.5 | Very low | 31.3 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | -38.2 | 138.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 701 | N | 30.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -133 | 134 | 143.3 | -148.2 | 8.4 | 0 | 0 | 0 | 107.8 | | |
| 702 | I | 33.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 68% | 0.677 | 78% | 0.782 | S | S | * | * | | | trans | -125.2 | 122.9 | -169.3 | -70.6 | 178.6 | 0 | 0 | 0 | 108.8 | | |
| 703 | I | 30.7 | Very low | 31.8 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | 45.2 | 112.2 | 157.3 | -54 | 165.8 | 0 | 0 | 0 | 116.6 | | |
| 704 | G | 31.9 | Very low | 32 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -172.4 | 104.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 705 | F | 28.8 | Very low | 32.3 | Very low | 195 Ų | 195 | 132 Ų | 132 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -92.4 | 166.8 | 170.3 | -105.5 | -104.5 | 0 | 0 | 0 | 110.4 | | |
| 706 | D | 30.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | 84.2 | 136.3 | 156.1 | -70.9 | -41.9 | 0 | 0 | 0 | 122.8 | | |
| 707 | E | 30.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | 64.5 | 112.5 | 142.2 | -71.3 | -138.9 | 67.5 | 0 | 0 | 123.7 | | |
| 708 | S | 29.2 | Very low | 32.2 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | | 79.1 | 114.8 | 115.8 | -62.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 709 | A | 32 | Very low | 32.2 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | | | trans | 68.2 | 120.9 | 136 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 710 | G | 32.9 | Very low | 32 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | trans | 170.6 | 98.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 711 | H | 33.4 | Very low | 32 | Very low | 192 Ų | 192 | 134 Ų | 134 | 89% | 0.889 | 75% | 0.753 | S | S | * | * | | | trans | 9.2 | 122.3 | 148.8 | -43.1 | 92.7 | 0 | 0 | 0 | 117.1 | | |
| 712 | G | 34 | Very low | 31.9 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | | 117.4 | 157.6 | 58 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 713 | N | 36.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | cis | -145.1 | 146.5 | 6.6 | -87.8 | -41 | 0 | 0 | 0 | 111 | | |
| 714 | N | 32.2 | Very low | 31.5 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | 35.3 | 127.3 | 135.3 | -43.4 | -31 | 0 | 0 | 0 | 119.8 | | |
| 715 | I | 36.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | | -171.4 | 114.8 | 99.2 | -94.4 | 158.8 | 0 | 0 | 0 | 111 | | |
| 716 | L | 33.5 | Very low | 31.3 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | | 37.7 | 136.2 | 128.9 | -46.3 | 171.4 | 0 | 0 | 0 | 119.2 | | |
| 717 | T | 34.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | cis | -166.2 | 152 | 5.3 | 4.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 718 | N | 29.9 | Very low | 31.4 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | | | | 21.2 | 148.3 | 127.7 | -77.4 | -49.7 | 0 | 0 | 0 | 120.7 | | |
| 719 | R | 31.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | cis | -155 | 147.2 | 17.6 | -107.9 | 143.1 | -170.7 | -179.3 | -2.2 | 108.3 | | |
| 720 | I | 29.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | | | | 59.4 | 138.8 | 75.1 | -61.8 | 171.8 | 0 | 0 | 0 | 113.3 | | |
| 721 | V | 29.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | cis | -178.8 | 173.9 | -30.1 | 116.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 722 | Q | 28.8 | Very low | 31 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | | | trans | 71.7 | 115.5 | 161.8 | -88 | 152 | 5.1 | 0 | 0 | 122.1 | | |
| 723 | S | 27.3 | Very low | 30.9 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | | | | 47.4 | 141 | 105.5 | -48.4 | 0 | 0 | 0 | 0 | 125 | | |
| 724 | T | 28.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | | | trans | 87.7 | 125.1 | 135 | 34.1 | 0 | 0 | 0 | 0 | 124.7 | | |
| 725 | L | 28.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | 93.8 | 120.1 | 134.2 | -72.2 | 166.1 | 0 | 0 | 0 | 124.3 | | |
| 726 | N | 28.2 | Very low | 30.6 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | | | trans | 76 | 127.5 | 130.5 | -81.5 | 9.3 | 0 | 0 | 0 | 126.3 | | |
| 727 | L | 33 | Very low | 30.7 | Very low | 133 Ų | 133 | 128 Ų | 128 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | | 40.7 | 128.8 | 129.6 | -84.9 | 68.9 | 0 | 0 | 0 | 119.6 | | |
| 728 | N | 29.7 | Very low | 30.7 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | | -165.8 | 167.1 | 60.4 | -88.5 | -61.4 | 0 | 0 | 0 | 112.4 | | |
| 729 | G | 30 | Very low | 30.6 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | 172.8 | 55.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 730 | V | 29.5 | Very low | 30.6 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | 10.5 | 130.9 | 146.5 | -140.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 731 | I | 30 | Very low | 30.5 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | | -175.6 | 125.5 | 87.6 | -91.3 | 175.3 | 0 | 0 | 0 | 113.4 | | |
| 732 | T | 30.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | 44.9 | 148.8 | 148.8 | 65.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 733 | S | 31.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | cis | -171.5 | 144.1 | -4.9 | 42.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 734 | S | 32 | Very low | 30.6 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 67.7 | 142.5 | 150.5 | 84.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 735 | Q | 33.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | cis | -148.4 | 169.4 | 5.8 | -66.7 | -174.9 | 39.7 | 0 | 0 | 108.5 | | |
| 736 | A | 32.4 | Very low | 30.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | cis | -163.5 | 161.7 | -28.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 737 | P | 35.8 | Very low | 30.5 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -123.9 | 160.7 | -163 | 41 | -28.9 | 0 | 0 | 0 | 117.5 | | |
| 738 | T | 34.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | -157.5 | 98.9 | 159 | -38.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 739 | V | 28.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | | 66.8 | 106.1 | 78 | -179 | 0 | 0 | 0 | 0 | 114.5 | | |
| 740 | C | 31.5 | Very low | 30.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | | -175.7 | 147.2 | 128.9 | -106.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 741 | H | 27 | Very low | 30.8 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -101.8 | 154.2 | 177.6 | -72.9 | -97.2 | 0 | 0 | 0 | 112.1 | | |
| 742 | T | 31.7 | Very low | 31 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | | | trans | -157 | 155.5 | 135.1 | -4.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 743 | V | 25.3 | Very low | 30.9 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -108 | 139.6 | -176.4 | 174 | 0 | 0 | 0 | 0 | 109.9 | | |
| 744 | S | 30.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -157.1 | 134.8 | 154.1 | -81.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 745 | T | 25.8 | Very low | 30.6 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | -101 | 144.3 | -177.8 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 746 | S | 30.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -153.2 | 152.9 | 153.3 | -159.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 747 | T | 27.4 | Very low | 30 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | | | trans | -133.1 | 168.4 | -165 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 748 | H | 31.7 | Very low | 29.8 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | | | trans | 71.2 | 147.7 | 175.5 | -62.6 | -77.2 | 0 | 0 | 0 | 115.9 | | |
| 749 | N | 31.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | cis | -145 | 146.4 | 0.5 | -118.7 | -18.9 | 0 | 0 | 0 | 111.2 | | |
| 750 | I | 30.5 | Very low | 29.7 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | | | trans | -110 | 120.4 | 178.4 | -58.9 | 171.7 | 0 | 0 | 0 | 109.3 | | |
| 751 | P | 34.7 | Very low | 29.9 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -79.7 | 143.6 | 173.8 | 31.4 | -32.9 | 0 | 0 | 0 | 112 | | |
| 752 | P | 34.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -78.8 | 141.8 | -172.4 | 31 | -35.7 | 0 | 0 | 0 | 113.9 | N754 | P752-N754 PolarHBondContact O-N 2.91Å; P752-N754 VanDerWaalsContact O-N 3.11Å |
| 753 | R | 28.6 | Very low | 30.4 | Very low | 250 Ų | 250 | 140.1 Ų | 140.1 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | | | trans | -88.2 | 66.6 | -174.8 | -164.7 | 174.2 | -174.9 | 149.6 | 1.6 | 112.4 | S755 | R753-S755 PolarHBondContact O-N 3.48Å; R753-S755 VanDerWaalsContact O-N 3.12Å |
| 754 | N | 30.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -70.3 | 104 | -176.4 | -74.9 | 3.6 | 0 | 0 | 0 | 112.8 | P752 I756 | P752-N754 PolarHBondContact O-N 2.91Å; P752-N754 VanDerWaalsContact O-N 3.11Å; N754-I756 PolarHBondContact O-N 2.92Å |
| 755 | S | 26.7 | Very low | 31 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -77.2 | 106.1 | 177.3 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | R753 | R753-S755 PolarHBondContact O-N 3.48Å; R753-S755 VanDerWaalsContact O-N 3.12Å |
| 756 | I | 30.2 | Very low | 31.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -92 | 111.7 | 176.8 | -57.4 | 179.1 | 0 | 0 | 0 | 110.4 | N754 L758 | N754-I756 PolarHBondContact O-N 2.92Å; I756-L758 HydrophobicContact CG2-CG 4.17Å; I756-L758 PolarHBondContact O-N 3.44Å; I756-L758 VanDerWaalsContact O-N 3.08Å |
| 757 | M | 24.5 | Very low | 31.6 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 94% | 0.941 | 77% | 0.773 | S | S | * | * | | | trans | -72.2 | 94.8 | 168.7 | -85.2 | 174.2 | 49.9 | 0 | 0 | 111.2 | | |
| 758 | L | 30.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 135.5 | 167 | -80.8 | 164.1 | 0 | 0 | 0 | 110.9 | I756 | I756-L758 HydrophobicContact CG2-CG 4.17Å; I756-L758 PolarHBondContact O-N 3.44Å; I756-L758 VanDerWaalsContact O-N 3.08Å |
| 759 | S | 29 | Very low | 31.7 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 127.3 | -176.2 | 27.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 760 | Y | 31.6 | Very low | 31.7 | Very low | 215 Ų | 215 | 141.7 Ų | 141.7 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.8 | -171.8 | -72.7 | -97.8 | 0 | 0 | 0 | 115 | | |
| 761 | P | 36 | Very low | 31.6 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 150.1 | 157.7 | 31.5 | -33.9 | 0 | 0 | 0 | 110 | | |
| 762 | R | 36.6 | Very low | 31.6 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 51% | 0.509 | 76% | 0.764 | S | S | . | * | | | trans | -128.1 | 80.7 | -163.7 | -158.6 | 176.3 | -170.4 | 151.4 | -0 | 114.1 | H1014 | R762-H1014 PolarHBondContact NH2-NE2 3.49Š|
| 763 | G | 32.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | 94.2 | 102.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 764 | G | 36.6 | Very low | 31.9 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | -164.5 | 132.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | E766 | G764-E766 PolarHBondContact O-N 2.89Š|
| 765 | T | 32.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 133 Ų | 133 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | | | trans | -98.7 | 66.5 | -170 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 766 | E | 35.9 | Very low | 32.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | trans | -132.9 | 105.7 | -172.8 | -72 | 167.1 | -139.1 | 0 | 0 | 111.1 | G764 N768 | G764-E766 PolarHBondContact O-N 2.89Å; E766-N768 PolarHBondContact O-N 3.5Å; E766-N768 PolarHBondContact O-ND2 2.86Å; E766-N768 VanDerWaalsContact O-ND2 3.13Å |
| 767 | M | 31.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | 107.6 | 167.5 | -68.8 | -167.4 | -62.9 | 0 | 0 | 108.9 | L769 | M767-L769 PolarHBondContact O-N 3.18Š|
| 768 | N | 32.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -82.9 | 94.8 | 177.1 | -81.5 | -102.1 | 0 | 0 | 0 | 109.4 | E766 L770 | E766-N768 PolarHBondContact O-N 3.5Å; E766-N768 PolarHBondContact O-ND2 2.86Å; E766-N768 VanDerWaalsContact O-ND2 3.13Å; N768-L770 PolarHBondContact O-N 3.49Å; N768-L770 VanDerWaalsContact O-N 3.11Å |
| 769 | L | 29.4 | Very low | 32.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 59% | 0.592 | 77% | 0.766 | S | S | * | * | | | trans | -74.2 | 92.6 | 175.3 | -115.5 | 162.7 | 0 | 0 | 0 | 109.6 | A409 M767 L771 | A409-L769 HydrophobicContact CB-CD1 4.28Å; M767-L769 PolarHBondContact O-N 3.18Å; L769-L771 HydrophobicContact CB-CD1 4.17Å; L769-L771 HydrophobicContact CD2-CD1 3.87Å; L769-L771 PolarHBondContact O-N 3.39Å; L769-L771 VanDerWaalsContact O-N 3.17Å |
| 770 | L | 30.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -81.3 | 89.5 | 177.2 | -167.1 | 86.3 | 0 | 0 | 0 | 110.3 | N768 T772 | N768-L770 PolarHBondContact O-N 3.49Å; N768-L770 VanDerWaalsContact O-N 3.11Å; L770-T772 HydrophobicContact CD2-CG2 4.2Å; L770-T772 PolarHBondContact O-N 2.89Å |
| 771 | L | 30 | Very low | 32.4 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | | | trans | -74.8 | 102.7 | 169.9 | -78.3 | 78.1 | 0 | 0 | 0 | 109.7 | L769 | L769-L771 HydrophobicContact CB-CD1 4.17Å; L769-L771 HydrophobicContact CD2-CD1 3.87Å; L769-L771 PolarHBondContact O-N 3.39Å; L769-L771 VanDerWaalsContact O-N 3.17Å |
| 772 | T | 35 | Very low | 32.3 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 124.9 | 164.1 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | L770 A774 | L770-T772 HydrophobicContact CD2-CG2 4.2Å; L770-T772 PolarHBondContact O-N 2.89Å; T772-A774 PolarHBondContact O-N 2.95Å |
| 773 | P | 35.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132.4 | 172.9 | -22.5 | 33.9 | 0 | 0 | 0 | 111.4 | | |
| 774 | A | 32 | Very low | 32.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 151.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T772 | T772-A774 PolarHBondContact O-N 2.95Š|
| 775 | S | 30.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 132.1 | -168 | -50.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 776 | A | 31.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 777 | H | 29.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 135.4 | 176.3 | -82.1 | -95.1 | 0 | 0 | 0 | 111.7 | | |
| 778 | A | 32.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -143.7 | 103.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 779 | F | 31.1 | Very low | 32.4 | Very low | 196 Ų | 196 | 127.7 Ų | 127.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -80.5 | 131.2 | 166.7 | -86 | -90.4 | 0 | 0 | 0 | 108.8 | | |
| 780 | G | 28.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -148.4 | 81.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 781 | T | 31.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 127 Ų | 127 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -151.4 | 138.1 | 167.6 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 782 | S | 33.8 | Very low | 33 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | cis | -168.2 | 152.3 | 3.8 | 44.5 | 0 | 0 | 0 | 0 | 111 | | |
| 783 | H | 32.6 | Very low | 32.8 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | | | trans | 44.3 | 117.4 | 151.6 | -100.7 | -108.4 | 0 | 0 | 0 | 120.3 | | |
| 784 | L | 34.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | | 171 | 105.8 | 113.3 | -91 | 167.6 | 0 | 0 | 0 | 113.5 | | |
| 785 | T | 33.7 | Very low | 32.5 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 47.5 | 155.4 | 137.8 | 42.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 786 | P | 37.8 | Very low | 32.6 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -116.2 | 169.7 | -150.3 | 42.5 | -33.7 | 0 | 0 | 0 | 116.5 | | |
| 787 | L | 35 | Very low | 32.6 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -134.3 | 150.4 | 156.4 | -102.8 | 102.9 | 0 | 0 | 0 | 113.6 | | |
| 788 | T | 30.7 | Very low | 32.6 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -81.9 | 151 | -174.5 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 789 | A | 34.2 | Very low | 32.7 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | | 167.5 | 110.5 | 124 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 790 | V | 33.9 | Very low | 33 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -59.5 | 159.5 | 154.6 | 152.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 791 | P | 35.7 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | cis | -141.8 | 155.7 | 30.6 | 23.7 | 2.8 | 0 | 0 | 0 | 121.7 | | |
| 792 | A | 33.2 | Very low | 33.3 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | | 25.7 | 161.2 | 126.1 | 0 | 0 | 0 | 0 | 0 | 126.4 | | |
| 793 | A | 30.6 | Very low | 33.2 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 77.7 | 139.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 794 | L | 33.2 | Very low | 33 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | cis | -133.9 | 171.5 | 23.5 | -75.4 | 161.4 | 0 | 0 | 0 | 113.5 | | |
| 795 | S | 28.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | trans | -134.1 | 144.6 | 170.3 | 175.4 | 0 | 0 | 0 | 0 | 110 | | |
| 796 | F | 33.6 | Very low | 32.5 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | | | trans | -153.4 | 149.9 | 160 | -98.6 | -69.4 | 0 | 0 | 0 | 111.8 | | |
| 797 | Q | 29.9 | Very low | 32.1 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -102.7 | 158.6 | -175.5 | -64.4 | 138.5 | -91.5 | 0 | 0 | 111.9 | | |
| 798 | G | 30.8 | Very low | 31.7 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -172.1 | 84.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 799 | L | 34.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -86 | 171.2 | 164.1 | -92.1 | 143.6 | 0 | 0 | 0 | 109.2 | | |
| 800 | P | 37.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | -146.2 | -176.1 | 33.6 | 43.4 | -22.2 | 0 | 0 | 0 | 119 | | |
| 801 | T | 33.8 | Very low | 31 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -49 | 157.8 | 166.9 | 54.3 | 0 | 0 | 0 | 0 | 114 | | |
| 802 | S | 32 | Very low | 31.3 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | | 169.5 | 178 | 76.1 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 803 | Q | 31.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | cis | -133.9 | -132.8 | 13.4 | -57.6 | 177.1 | 4.1 | 0 | 0 | 110.8 | | |
| 804 | S | 28.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -156 | 152.1 | 170.1 | -54.4 | 0 | 0 | 0 | 0 | 109 | | |
| 805 | T | 32.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | | | trans | -150.7 | 131.2 | 166.9 | -2.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 806 | S | 24.7 | Very low | 31.7 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -97 | 133.7 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 807 | L | 30.6 | Very low | 31.6 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -137.5 | 156 | 159.2 | -80.2 | -178.5 | 0 | 0 | 0 | 110.8 | | |
| 808 | T | 25.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -118.5 | 164.1 | -160.6 | -15.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 809 | L | 25.9 | Very low | 32.3 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | 61.2 | 115.2 | 159 | -60.9 | 164.5 | 0 | 0 | 0 | 117.3 | | |
| 810 | T | 29.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | | 173.7 | 152.7 | 100 | 33.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 811 | S | 29.7 | Very low | 31.8 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -95.4 | 156.8 | 168.4 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 812 | P | 41 | Very low | 31.7 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | | | trans | -101.4 | 116.2 | 141 | -9.6 | 28.1 | 0 | 0 | 0 | 110.1 | | |
| 813 | V | 32.6 | Very low | 31.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -80.4 | -173 | 149.8 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 814 | L | 33.6 | Very low | 31.6 | Very low | 147 Ų | 147 | 130 Ų | 130 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 94.4 | 133.4 | 173.2 | -47.9 | -175.5 | 0 | 0 | 0 | 114.2 | | |
| 815 | L | 32.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | | | cis | -157 | 167.1 | -5.1 | -114.7 | 174.4 | 0 | 0 | 0 | 113.5 | | |
| 816 | H | 34.7 | Very low | 31.7 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | | | trans | 63.9 | 104.6 | 154.4 | -75 | -53.2 | 0 | 0 | 0 | 122.8 | | |
| 817 | T | 32.9 | Very low | 32 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -54.4 | -176.4 | 135 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 818 | P | 39.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | cis | -142.5 | -151.3 | 12.5 | 33 | -5.5 | 0 | 0 | 0 | 115 | | |
| 819 | V | 35.4 | Very low | 32.5 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | 75.9 | 99.3 | 166.2 | -169.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 820 | T | 31.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | | 72.6 | 140.9 | 54.4 | 75.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 821 | S | 31 | Very low | 32.7 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | 84.5 | 100.9 | 156.7 | -54.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 822 | T | 30.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | 58.3 | 125.4 | 126.1 | 59 | 0 | 0 | 0 | 0 | 122.3 | | |
| 823 | V | 29.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | trans | 58.9 | 117.9 | 130.6 | -177.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 824 | I | 32.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | | -166.6 | 144.7 | 125.5 | -100.4 | 153.8 | 0 | 0 | 0 | 108.9 | | |
| 825 | Q | 31.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | | | trans | -87.9 | 154 | 172.2 | -60.5 | 160.1 | -68.6 | 0 | 0 | 109.6 | | |
| 826 | N | 32.3 | Very low | 32.4 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | | -179.5 | 151.9 | 116.7 | -90.4 | -16.3 | 0 | 0 | 0 | 113.6 | | |
| 827 | T | 30.6 | Very low | 32.2 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -107.5 | 159.1 | 171.1 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 828 | G | 33 | Very low | 32.2 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | | | trans | 113.6 | 149.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 829 | A | 33.3 | Very low | 31.6 | Very low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | | | cis | -144.3 | 154.9 | -6.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 830 | I | 29.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 129 Ų | 129 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | | 30.2 | 124.4 | 93.5 | -8.6 | 174.4 | 0 | 0 | 0 | 112.5 | | |
| 831 | S | 29.7 | Very low | 31.1 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | | | cis | -156.8 | 179.6 | 33.7 | -50.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 832 | E | 32.2 | Very low | 31 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 77.2 | 143.3 | 149.1 | -74.5 | 154.1 | -120.7 | 0 | 0 | 118.1 | | |
| 833 | I | 33.7 | Very low | 31.4 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | cis | -152.8 | 154.6 | 20.3 | -132.5 | 154.6 | 0 | 0 | 0 | 112.6 | | |
| 834 | T | 34.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | | | trans | 60.1 | 114.8 | 162.3 | 49.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 835 | T | 32.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | | 41.6 | 143.4 | 120 | 65.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 836 | T | 31.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | cis | -170.2 | 143.9 | 0.7 | 17.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 837 | T | 30.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | 62.1 | 154 | 145 | 62 | 0 | 0 | 0 | 0 | 123 | | |
| 838 | N | 31.9 | Very low | 31.2 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | 72.6 | 65.8 | 152.4 | -61.2 | -7.7 | 0 | 0 | 0 | 120.1 | | |
| 839 | S | 27.5 | Very low | 31.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | | | | 24.7 | 136.6 | 105.2 | -143.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 840 | Y | 26.6 | Very low | 31.1 | Very low | 202 Ų | 202 | 128 Ų | 128 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | | | trans | 82.5 | 146.5 | 161.7 | -69.3 | -72.1 | 0 | 0 | 0 | 121.2 | | |
| 841 | M | 28.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | | | trans | 77.7 | 133.7 | 179 | -53.3 | -65.1 | 96.3 | 0 | 0 | 115.4 | | |
| 842 | V | 30 | Very low | 31.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | | | cis | 77.4 | 139.5 | 32.6 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 843 | P | 37.9 | Very low | 31.5 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | | | cis | -138.8 | -165.7 | 7 | 28.1 | -1.3 | 0 | 0 | 0 | 116.7 | | |
| 844 | S | 29.2 | Very low | 31.5 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | | | | 81.2 | 131.9 | 124.6 | 58.7 | 0 | 0 | 0 | 0 | 126.3 | | |
| 845 | T | 29.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | 71.3 | 158.5 | 134.5 | 54.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 846 | T | 32.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | | | cis | -101.5 | -152.6 | 0.7 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 847 | S | 33 | Very low | 31.5 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | cis | -148.1 | 174.2 | 3.6 | -42.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 848 | F | 28.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | cis | 76.2 | 127.6 | 17.1 | -77.7 | -99.3 | 0 | 0 | 0 | 116.4 | | |
| 849 | D | 30.8 | Very low | 31.1 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | | | cis | -163 | -177.5 | -1.7 | -148.1 | 6.3 | 0 | 0 | 0 | 108.1 | | |
| 850 | Q | 34 | Very low | 31.1 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | | | cis | -161.5 | 174.3 | 4.1 | -161.1 | 175.5 | 100.8 | 0 | 0 | 110.4 | | |
| 851 | T | 33 | Very low | 31.2 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | | | trans | 76.6 | 143.6 | 161 | 70.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 852 | S | 32 | Very low | 31.2 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | cis | -163.5 | 125.6 | -6.8 | 143.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 853 | H | 34.5 | Very low | 31.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | | | trans | 57.7 | 149.1 | 139.3 | -57 | -38.1 | 0 | 0 | 0 | 121.3 | | |
| 854 | K | 33 | Very low | 31.1 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | | | cis | -165.1 | 151.8 | -2 | -126.1 | -178 | 177.1 | 173.4 | 0 | 113.1 | | |
| 855 | T | 33.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | | | trans | 34.6 | 110.3 | 142.3 | 60.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 856 | D | 29.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | | | | 96.3 | 158.9 | 78.7 | -75.8 | -46.2 | 0 | 0 | 0 | 113.9 | | |
| 857 | K | 35.8 | Very low | 31.8 | Very low | 191 Ų | 191 | 131 Ų | 131 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | | | trans | 84.2 | 155.5 | 164.7 | -56.8 | 166.3 | -171.4 | 170.4 | 0 | 117.1 | | |
| 858 | T | 29.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | | | cis | -173.3 | 122.8 | -26.8 | -87 | 0 | 0 | 0 | 0 | 106.6 | | |
| 859 | L | 25.1 | Very low | 32 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | 51.3 | 132.6 | 144 | -138.6 | 80.2 | 0 | 0 | 0 | 122 | | |
| 860 | T | 27.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | | | trans | 82.7 | 145.9 | 137.4 | 28.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 861 | Y | 27.8 | Very low | 31.9 | Very low | 201 Ų | 201 | 131 Ų | 131 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | | | trans | 75.8 | 132.8 | 162 | -83.2 | -127.2 | 0 | 0 | 0 | 117.4 | | |
| 862 | V | 29.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | cis | 80.8 | 138.1 | 41.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 863 | T | 30.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | | | cis | -106.5 | -134.4 | 8.7 | -19 | 0 | 0 | 0 | 0 | 113 | | |
| 864 | E | 35.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | | | cis | -152.2 | 139.9 | 0.1 | -130.8 | 119.7 | -108 | 0 | 0 | 107.9 | | |
| 865 | S | 34.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | | 60.6 | 144.4 | 88.3 | -53.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 866 | S | 34.5 | Very low | 31.5 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | cis | -179 | 164.2 | -12 | -94.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 867 | S | 36.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | cis | -178.4 | 154.5 | -23.6 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 868 | K | 31.6 | Very low | 31.4 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | 71.1 | 133.2 | 147.7 | -167.9 | -177.3 | -176.1 | -179.2 | 0 | 120.9 | | |
| 869 | V | 33.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | | 176.3 | 150.4 | 127.4 | 149.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 870 | T | 30 | Very low | 32.1 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -91.3 | 172.3 | -177.7 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 871 | S | 32.2 | Very low | 32.7 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | cis | -176.8 | 174 | -1.9 | 42.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 872 | N | 32.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | trans | 97.8 | 126.5 | 150.7 | -64.4 | -15.4 | 0 | 0 | 0 | 122.3 | | |
| 873 | S | 31.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 63.5 | 144 | 145.3 | -137.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 874 | S | 35 | Very low | 36.1 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | cis | -142.5 | 175.8 | 18.8 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 875 | Q | 30.3 | Very low | 37.5 | Very low | 198 Ų | 198 | 117.2 Ų | 117.2 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | | | trans | -86.3 | 149.1 | -167.4 | -61.9 | 165.2 | -30.4 | 0 | 0 | 116.1 | | |
| 876 | A | 30.1 | Very low | 39.2 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | | | trans | -148.3 | 138.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 877 | P | 33.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 111.9 Ų | 111.9 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -86.6 | 125.1 | -165.9 | 31.9 | -34.5 | 0 | 0 | 0 | 114.2 | S879 | P877-S879 PolarHBondContact O-N 3.11Š|
| 878 | T | 29.9 | Very low | 42.9 | Very low | 140 Ų | 140 | 112.1 Ų | 112.1 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | | | trans | -84.9 | 93.4 | 169 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | S880 | T878-S880 PolarHBondContact O-N 3.48Å; T878-S880 VanDerWaalsContact O-N 3.12Å |
| 879 | S | 34.7 | Very low | 44.9 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | | | trans | -75.5 | 96.5 | 174.6 | 42.9 | 0 | 0 | 0 | 0 | 112 | P877 S881 | P877-S879 PolarHBondContact O-N 3.11Å; S879-S881 PolarHBondContact O-N 2.78Å; S879-S881 VanDerWaalsContact O-N 3.09Å; S879-S881 PolarHBondContact O-OG 2.71Å |
| 880 | S | 33.9 | Very low | 46.7 | Very low | 127 Ų | 127 | 109.6 Ų | 109.6 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | | | trans | -57.6 | 112.3 | 166.8 | 54.4 | 0 | 0 | 0 | 0 | 110 | T878 | T878-S880 PolarHBondContact O-N 3.48Å; T878-S880 VanDerWaalsContact O-N 3.12Å |
| 881 | S | 40.1 | Very low | 49 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | | | trans | -130.2 | 138 | 179.4 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | S879 | S879-S881 PolarHBondContact O-N 2.78Å; S879-S881 VanDerWaalsContact O-N 3.09Å; S879-S881 PolarHBondContact O-OG 2.71Å |
| 882 | D | 44.2 | Very low | 51.3 | Low | 108 Ų | 108 | 109.1 Ų | 109.1 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | | | trans | -60.3 | 144.8 | -171.2 | -77 | -65.7 | 0 | 0 | 0 | 113.3 | T884 T885 S886 | D882-T884 PolarHBondContact O-N 3.19Å; D882-T885 PolarHBondContact O-N 3.49Å; D882-S886 PolarHBondContact O-N 3.34Å |
| 883 | P | 55.9 | Low | 53.4 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61.9 | -28.2 | 178.4 | 26.2 | -34.6 | 0 | 0 | 0 | 112.2 | A887 | P883-A887 VanDerWaalsContact O-CB 3.25Å; P883-A887 WeakPolarHBondContact O-CB 3.16Å; P883-A887 PolarHBondContact O-N 3.24Å |
| 884 | T | 59.7 | Low | 55.5 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 56% | 0.558 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -43.2 | 171.9 | 39.6 | 0 | 0 | 0 | 0 | 112.3 | D882 A887 I888 | D882-T884 PolarHBondContact O-N 3.19Å; T884-A887 PolarHBondContact O-N 3.45Å; T884-I888 VanDerWaalsContact O-CG1 3.32Å; T884-I888 WeakPolarHBondContact O-CG1 3.48Å; T884-I888 PolarHBondContact O-N 3.41Å |
| 885 | T | 64.1 | Low | 57.5 | Low | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -43.3 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | D882 A887 I888 D889 | D882-T885 PolarHBondContact O-N 3.49Å; T885-A887 VanDerWaalsContact C-N 3.33Å; T885-A887 PolarHBondContact O-N 2.94Å; T885-I888 PolarHBondContact O-N 3.04Å; T885-D889 WeakPolarHBondContact O-CB 3.46Å; T885-D889 PolarHBondContact O-N 2.95Å |
| 886 | S | 70.4 | Confident | 59.6 | Low | 45 Ų | 45 | 102.6 Ų | 102.6 | 32% | 0.315 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -35.5 | 174 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | D882 R890 | D882-S886 PolarHBondContact O-N 3.34Å; S886-R890 VanDerWaalsContact O-CB 3.32Å; S886-R890 WeakPolarHBondContact O-CB 3.34Å; S886-R890 WeakPolarHBondContact O-CG 3.31Å; S886-R890 PolarHBondContact O-N 3.1Å; S886-R890 PolarHBondContact OG-NE 2.75Å |
| 887 | A | 69.8 | Low | 61.4 | Low | 44 Ų | 44 | 99.9 Ų | 99.9 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P883 T884 T885 R890 I891 | P883-A887 VanDerWaalsContact O-CB 3.25Å; P883-A887 WeakPolarHBondContact O-CB 3.16Å; P883-A887 PolarHBondContact O-N 3.24Å; T884-A887 PolarHBondContact O-N 3.45Å; T885-A887 VanDerWaalsContact C-N 3.33Å; T885-A887 PolarHBondContact O-N 2.94Å; A887-R890 PolarHBondContact O-N 2.97Å; A887-I891 WeakPolarHBondContact O-CB 3.44Å; A887-I891 WeakPolarHBondContact O-CD1 3.37Å; A887-I891 VanDerWaalsContact O-CG1 3.25Å; A887-I891 WeakPolarHBondContact O-CG1 3.35Å; A887-I891 PolarHBondContact O-N 3.41Å |
| 888 | I | 78.3 | Confident | 62.5 | Low | 103 Ų | 103 | 97.8 Ų | 97.8 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -45.7 | 175.1 | -69 | 165.7 | 0 | 0 | 0 | 110.3 | T884 T885 R890 I891 L892 | T884-I888 VanDerWaalsContact O-CG1 3.32Å; T884-I888 WeakPolarHBondContact O-CG1 3.48Å; T884-I888 PolarHBondContact O-N 3.41Å; T885-I888 PolarHBondContact O-N 3.04Å; I888-R890 PolarHBondContact O-N 3.01Å; I888-I891 PolarHBondContact O-N 2.81Å; I888-L892 HydrophobicContact CG2-CD1 4Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CG 3.32Å; I888-L892 PolarHBondContact O-N 3.11Å |
| 889 | D | 73.1 | Confident | 63.4 | Low | 95 Ų | 95 | 97.3 Ų | 97.3 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -39 | 179.5 | -162.7 | 50.5 | 0 | 0 | 0 | 111.5 | T885 I891 L892 Q893 | T885-D889 WeakPolarHBondContact O-CB 3.46Å; T885-D889 PolarHBondContact O-N 2.95Å; D889-I891 PolarHBondContact O-N 3.27Å; D889-L892 PolarHBondContact O-N 3.35Å; D889-Q893 VanDerWaalsContact O-CB 3.28Å; D889-Q893 WeakPolarHBondContact O-CB 3.23Å; D889-Q893 PolarHBondContact O-N 2.98Å |
| 890 | R | 72 | Confident | 64.4 | Low | 176 Ų | 176 | 95.8 Ų | 95.8 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 169.1 | -75.2 | 171.7 | -161.9 | -149.1 | 3.2 | 112.1 | S886 A887 I888 L892 Q893 T894 | S886-R890 VanDerWaalsContact O-CB 3.32Å; S886-R890 WeakPolarHBondContact O-CB 3.34Å; S886-R890 WeakPolarHBondContact O-CG 3.31Å; S886-R890 PolarHBondContact O-N 3.1Å; S886-R890 PolarHBondContact OG-NE 2.75Å; A887-R890 PolarHBondContact O-N 2.97Å; I888-R890 PolarHBondContact O-N 3.01Å; R890-L892 VanDerWaalsContact C-N 3.34Å; R890-L892 PolarHBondContact O-N 3.26Å; R890-Q893 PolarHBondContact O-N 3.44Å; R890-T894 WeakPolarHBondContact O-CB 3.35Å; R890-T894 PolarHBondContact O-N 3.45Å; R890-T894 PolarHBondContact O-OG1 3.06Å |
| 891 | I | 78.8 | Confident | 64.9 | Low | 101 Ų | 101 | 92 Ų | 92 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.5 | -71.4 | 163.2 | 0 | 0 | 0 | 110.7 | A887 I888 D889 T894 I895 | A887-I891 WeakPolarHBondContact O-CB 3.44Å; A887-I891 WeakPolarHBondContact O-CD1 3.37Å; A887-I891 VanDerWaalsContact O-CG1 3.25Å; A887-I891 WeakPolarHBondContact O-CG1 3.35Å; A887-I891 PolarHBondContact O-N 3.41Å; I888-I891 PolarHBondContact O-N 2.81Å; D889-I891 PolarHBondContact O-N 3.27Å; I891-T894 PolarHBondContact O-N 3.36Å; I891-I895 HydrophobicContact CG2-CD1 3.83Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.21Å |
| 892 | L | 80 | Confident | 64.9 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175 | -69.4 | 172.8 | 0 | 0 | 0 | 111.9 | I888 D889 R890 I895 K896 | I888-L892 HydrophobicContact CG2-CD1 4Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CG 3.32Å; I888-L892 PolarHBondContact O-N 3.11Å; D889-L892 PolarHBondContact O-N 3.35Å; R890-L892 VanDerWaalsContact C-N 3.34Å; R890-L892 PolarHBondContact O-N 3.26Å; L892-I895 PolarHBondContact O-N 3.24Å; L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.11Å |
| 893 | Q | 75.4 | Confident | 64.8 | Low | 116 Ų | 116 | 90.3 Ų | 90.3 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.3 | -153.5 | 82 | -54.4 | 0 | 0 | 111.3 | D889 R890 G897 | D889-Q893 VanDerWaalsContact O-CB 3.28Å; D889-Q893 WeakPolarHBondContact O-CB 3.23Å; D889-Q893 PolarHBondContact O-N 2.98Å; R890-Q893 PolarHBondContact O-N 3.44Å; Q893-G897 PolarHBondContact O-N 3.04Å |
| 894 | T | 76.8 | Confident | 64.2 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -47.3 | 173.3 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | R890 I891 K896 G897 C898 | R890-T894 WeakPolarHBondContact O-CB 3.35Å; R890-T894 PolarHBondContact O-N 3.45Å; R890-T894 PolarHBondContact O-OG1 3.06Å; I891-T894 PolarHBondContact O-N 3.36Å; T894-K896 VanDerWaalsContact C-N 3.34Å; T894-K896 PolarHBondContact O-N 2.92Å; T894-G897 PolarHBondContact O-N 3.07Å; T894-C898 WeakPolarHBondContact O-CB 3.49Å; T894-C898 PolarHBondContact O-N 3.38Å; T894-C898 PolarHBondContact O-SG 2.97Å |
| 895 | I | 77.2 | Confident | 63.2 | Low | 88 Ų | 88 | 97.4 Ų | 97.4 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.5 | -70.2 | 164.8 | 0 | 0 | 0 | 110.4 | I891 L892 C898 M899 | I891-I895 HydrophobicContact CG2-CD1 3.83Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.21Å; L892-I895 PolarHBondContact O-N 3.24Å; I895-C898 PolarHBondContact O-N 3.01Å; I895-M899 HydrophobicContact CG2-SD 4.04Å; I895-M899 VanDerWaalsContact O-CG 3.31Å; I895-M899 WeakPolarHBondContact O-CG 3.4Å; I895-M899 PolarHBondContact O-N 3.48Å |
| 896 | K | 73.2 | Confident | 62 | Low | 145 Ų | 145 | 100.9 Ų | 100.9 | 63% | 0.63 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 177.2 | -169.6 | 174.9 | -177.6 | -178.8 | 0 | 111.7 | L892 T894 M899 S900 | L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.11Å; T894-K896 VanDerWaalsContact C-N 3.34Å; T894-K896 PolarHBondContact O-N 2.92Å; K896-M899 PolarHBondContact O-N 3.32Å; K896-S900 PolarHBondContact O-N 2.96Å; K896-S900 PolarHBondContact O-OG 2.92Å; K896-S900 VanDerWaalsContact O-OG 3.11Å |
| 897 | G | 69.2 | Low | 60.6 | Low | 32 Ų | 32 | 102.7 Ų | 102.7 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q893 T894 S900 A901 | Q893-G897 PolarHBondContact O-N 3.04Å; T894-G897 PolarHBondContact O-N 3.07Å; G897-S900 WeakPolarHBondContact CA-OG 3.26Å; G897-S900 PolarHBondContact O-N 3.04Å; G897-S900 PolarHBondContact O-OG 3.49Å; G897-A901 VanDerWaalsContact O-CB 3.23Å; G897-A901 WeakPolarHBondContact O-CB 3.49Å; G897-A901 PolarHBondContact O-N 2.94Å |
| 898 | C | 55.3 | Low | 59 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 55% | 0.554 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.1 | -44.9 | 173.4 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | T894 I895 A901 S902 | T894-C898 WeakPolarHBondContact O-CB 3.49Å; T894-C898 PolarHBondContact O-N 3.38Å; T894-C898 PolarHBondContact O-SG 2.97Å; I895-C898 PolarHBondContact O-N 3.01Å; C898-A901 PolarHBondContact O-N 2.81Å; C898-S902 PolarHBondContact O-N 2.9Å; C898-S902 PolarHBondContact O-OG 2.9Å; C898-S902 VanDerWaalsContact O-OG 3.09Å |
| 899 | M | 50.4 | Low | 57.2 | Low | 130 Ų | 130 | 108.4 Ų | 108.4 | 64% | 0.64 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -40.6 | 177.5 | -71.5 | 176.1 | 69.3 | 0 | 0 | 112.5 | I895 K896 S902 A903 | I895-M899 HydrophobicContact CG2-SD 4.04Å; I895-M899 VanDerWaalsContact O-CG 3.31Å; I895-M899 WeakPolarHBondContact O-CG 3.4Å; I895-M899 PolarHBondContact O-N 3.48Å; K896-M899 PolarHBondContact O-N 3.32Å; M899-S902 WeakPolarHBondContact CA-OG 3.3Å; M899-S902 PolarHBondContact O-OG 3.31Å; M899-A903 PolarHBondContact O-N 3.24Å |
| 900 | S | 54.2 | Low | 55.2 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 49% | 0.49 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.2 | -35.7 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | K896 G897 S902 A903 N904 | K896-S900 PolarHBondContact O-N 2.96Å; K896-S900 PolarHBondContact O-OG 2.92Å; K896-S900 VanDerWaalsContact O-OG 3.11Å; G897-S900 WeakPolarHBondContact CA-OG 3.26Å; G897-S900 PolarHBondContact O-N 3.04Å; G897-S900 PolarHBondContact O-OG 3.49Å; S900-S902 VanDerWaalsContact C-N 3.28Å; S900-S902 PolarHBondContact O-N 3.48Å; S900-A903 PolarHBondContact O-N 2.99Å; S900-N904 PolarHBondContact O-N 3.45Å |
| 901 | A | 45.7 | Very low | 53.3 | Low | 48 Ų | 48 | 114 Ų | 114 | 40% | 0.397 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.3 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G897 C898 A903 R905 | G897-A901 VanDerWaalsContact O-CB 3.23Å; G897-A901 WeakPolarHBondContact O-CB 3.49Å; G897-A901 PolarHBondContact O-N 2.94Å; C898-A901 PolarHBondContact O-N 2.81Å; A901-A903 VanDerWaalsContact C-N 3.33Å; A901-R905 WeakPolarHBondContact O-CD 3.32Å; A901-R905 WeakPolarHBondContact O-CG 3.31Å |
| 902 | S | 38.5 | Very low | 51.2 | Low | 77 Ų | 77 | 118.5 Ų | 118.5 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -8.9 | 169.6 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | C898 M899 S900 | C898-S902 PolarHBondContact O-N 2.9Å; C898-S902 PolarHBondContact O-OG 2.9Å; C898-S902 VanDerWaalsContact O-OG 3.09Å; M899-S902 WeakPolarHBondContact CA-OG 3.3Å; M899-S902 PolarHBondContact O-OG 3.31Å; S900-S902 VanDerWaalsContact C-N 3.28Å; S900-S902 PolarHBondContact O-N 3.48Å |
| 903 | A | 43.7 | Very low | 49 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -100.5 | -3.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M899 S900 A901 | M899-A903 PolarHBondContact O-N 3.24Å; S900-A903 PolarHBondContact O-N 2.99Å; A901-A903 VanDerWaalsContact C-N 3.33Å |
| 904 | N | 41.7 | Very low | 47.1 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -133.5 | 38.9 | -172.4 | -159.4 | 19.8 | 0 | 0 | 0 | 111.8 | S900 | S900-N904 PolarHBondContact O-N 3.45Š|
| 905 | R | 39.7 | Very low | 45.2 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -137 | -6.6 | -178.9 | -78 | -172.8 | 169.6 | -165.3 | -4.6 | 115.3 | A901 | A901-R905 WeakPolarHBondContact O-CD 3.32Å; A901-R905 WeakPolarHBondContact O-CG 3.31Å |
| 906 | D | 39.1 | Very low | 43.1 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -91.9 | 10.7 | -179.3 | -64.8 | -68.1 | 0 | 0 | 0 | 113.9 | | |
| 907 | S | 39.7 | Very low | 41.2 | Very low | 82 Ų | 82 | 134 Ų | 134 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -94.1 | -32.3 | -172.4 | 53.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 908 | D | 37 | Very low | 39.8 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -130.6 | 68.7 | -157.3 | -72.9 | -78.3 | 0 | 0 | 0 | 115.7 | | |
| 909 | S | 40.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -157.8 | 70.2 | 159.3 | 69.6 | 0 | 0 | 0 | 0 | 114 | | |
| 910 | K | 31.1 | Very low | 37.8 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -140.2 | 73.8 | 179 | -163.1 | 175.3 | -173.9 | 174.2 | 0 | 113.8 | | |
| 911 | L | 32.4 | Very low | 36.6 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | | | trans | -119 | 141.6 | 173.2 | -85.7 | 168.3 | 0 | 0 | 0 | 112.7 | | |
| 912 | K | 34.8 | Very low | 35.9 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -106.8 | 135.8 | -172.1 | -55.2 | 166.3 | 178.2 | 173.3 | 0 | 111.3 | | |
| 913 | I | 33.6 | Very low | 35.8 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -148.3 | 140.2 | 153.4 | -51.3 | -179.9 | 0 | 0 | 0 | 108.3 | | |
| 914 | R | 36 | Very low | 35.1 | Very low | 233 Ų | 233 | 153.7 Ų | 153.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | cis | -159.2 | 139.5 | -42.8 | -162.5 | 167.6 | -177.4 | 157.9 | -2.1 | 106.8 | | |
| 915 | K | 36.1 | Very low | 34.8 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | | | trans | -74 | 151.5 | 175.4 | -171.3 | -167 | -177.7 | -153.4 | 0 | 110.6 | E917 | K915-E917 WeakPolarHBondContact CE-OE1 3.33Å; K915-E917 WeakPolarHBondContact CE-OE2 3.4Å; K915-E917 IonicContact NZ-OE1 2.64Å; K915-E917 PolarHBondContact NZ-OE1 2.79Å; K915-E917 IonicContact NZ-OE2 3.14Å; K915-E917 PolarHBondContact NZ-OE2 3.44Å |
| 916 | N | 32.4 | Very low | 34.4 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -151.5 | 159.2 | 152.2 | -109.6 | 4.9 | 0 | 0 | 0 | 110.7 | | |
| 917 | E | 33.2 | Very low | 34.3 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -132.1 | 151.1 | -171.2 | -70.3 | 159 | 121.2 | 0 | 0 | 110.8 | K915 | K915-E917 WeakPolarHBondContact CE-OE1 3.33Å; K915-E917 WeakPolarHBondContact CE-OE2 3.4Å; K915-E917 IonicContact NZ-OE1 2.64Å; K915-E917 PolarHBondContact NZ-OE1 2.79Å; K915-E917 IonicContact NZ-OE2 3.14Å; K915-E917 PolarHBondContact NZ-OE2 3.44Å |
| 918 | S | 40.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -156.7 | 152.1 | 162.4 | 55 | 0 | 0 | 0 | 0 | 111.7 | | |
| 919 | N | 30.5 | Very low | 34 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | trans | -93.9 | 159.9 | -170.4 | -58.8 | -45.9 | 0 | 0 | 0 | 113.2 | | |
| 920 | G | 34.5 | Very low | 33.8 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -155 | 138.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 921 | T | 29 | Very low | 34 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | -117.5 | -178 | -163.8 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 922 | Y | 31 | Very low | 34.1 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 101.3 | 102 | 166.5 | -59.1 | -75.3 | 0 | 0 | 0 | 114.8 | | |
| 923 | Q | 34.5 | Very low | 34.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | 83.2 | 147.7 | 77.3 | -82.6 | -170.8 | -15.4 | 0 | 0 | 113.2 | | |
| 924 | A | 30.1 | Very low | 34.2 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | cis | -175 | -171.5 | -21.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 925 | I | 34.7 | Very low | 34.4 | Very low | 155 Ų | 155 | 138 Ų | 138 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | | | trans | 84.1 | 165.3 | 172.5 | -57.7 | 172.5 | 0 | 0 | 0 | 114.4 | | |
| 926 | T | 32.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | | 177.7 | 148.1 | -98.5 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 927 | G | 35.5 | Very low | 34.5 | Very low | 60 Ų | 60 | 135.7 Ų | 135.7 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | | | trans | 132.5 | 107.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 928 | D | 36.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | | 79.1 | 138.4 | 75.7 | -63.4 | -32.2 | 0 | 0 | 0 | 111.6 | | |
| 929 | E | 35.8 | Very low | 34.6 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | cis | -148.7 | -174.8 | 6.3 | -139.2 | -178.8 | 162.1 | 0 | 0 | 110.6 | | |
| 930 | A | 35.5 | Very low | 34.9 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | trans | -130.9 | 156 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 931 | N | 35 | Very low | 35.1 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | -171.4 | 140 | 145 | -108.1 | -52.6 | 0 | 0 | 0 | 117.1 | | |
| 932 | N | 34.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | 29.5 | 140.6 | 131.7 | -77.3 | -39.7 | 0 | 0 | 0 | 121.4 | | |
| 933 | H | 38.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 61% | 0.611 | 74% | 0.74 | S | S | * | * | | | cis | -166.4 | 155.5 | 41.9 | -114.9 | -10.2 | 0 | 0 | 0 | 112.9 | | |
| 934 | R | 31.8 | Very low | 36 | Very low | 213 Ų | 213 | 131 Ų | 131 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | | 45 | 142.8 | 107.1 | -74.6 | -179.1 | 173 | 165.6 | -5 | 117.1 | | |
| 935 | T | 40.1 | Very low | 36 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | cis | -149.8 | 150.2 | 13.7 | 33 | 0 | 0 | 0 | 0 | 110 | | |
| 936 | N | 33.3 | Very low | 35.8 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | | 93 | 133.5 | 55.8 | -122.3 | 59.1 | 0 | 0 | 0 | 116.3 | | |
| 937 | D | 37.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | | | trans | 95.8 | 96.4 | 146.8 | -65 | -43.8 | 0 | 0 | 0 | 127.9 | | |
| 938 | T | 38 | Very low | 35.3 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | | | | 91.4 | 152.2 | 120.4 | 67.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 939 | K | 39.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | 83.9 | 143.1 | 151 | -77 | 148.4 | -162.1 | 141.2 | 0 | 118.5 | | |
| 940 | K | 36.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | cis | -169.7 | 159.7 | -7.7 | -166 | -171.4 | 179.3 | -174.8 | 0 | 110.9 | | |
| 941 | A | 38.1 | Very low | 34.7 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 68.9 | 154.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 942 | T | 39.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | | | cis | -165.3 | 139 | -22.4 | -81.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 943 | G | 37 | Very low | 34.1 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | 80 | 154.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 944 | T | 37.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | | | cis | -146 | 147.3 | -1.3 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 945 | R | 29.9 | Very low | 33.6 | Very low | 192 Ų | 192 | 138 Ų | 138 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | | | trans | -91 | 131.9 | -173.4 | 176.7 | -160.9 | -84.9 | -175.9 | -7.5 | 112.3 | Y947 | R945-Y947 HydrophobicContact CG-CE2 4.46Š|
| 946 | F | 30.8 | Very low | 33.2 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | trans | -140.8 | 156.5 | 151.7 | -92.8 | -71.3 | 0 | 0 | 0 | 111.8 | | |
| 947 | Y | 28.5 | Very low | 32.9 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | | | trans | -87.8 | 156.1 | -163.1 | -88.1 | -105.7 | 0 | 0 | 0 | 114.5 | R945 | R945-Y947 HydrophobicContact CG-CE2 4.46Š|
| 948 | P | 28.4 | Very low | 32.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -77.9 | 126.2 | -178.2 | 31 | -34.8 | 0 | 0 | 0 | 113 | | |
| 949 | A | 31.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | -94.6 | 99.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K951 | A949-K951 PolarHBondContact O-N 3.23Å; A949-K951 VanDerWaalsContact O-N 3.09Å |
| 950 | N | 27 | Very low | 31.8 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | | | trans | -59.8 | 108.5 | 178.7 | 169.6 | 12.1 | 0 | 0 | 0 | 112.5 | N952 | N950-N952 PolarHBondContact OD1-OD1 3.47Š|
| 951 | K | 36.1 | Very low | 31.6 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | | | trans | -140.2 | 102.2 | 142.9 | -67.8 | -170.1 | -179.4 | 172.3 | 0 | 110.2 | A949 S953 | A949-K951 PolarHBondContact O-N 3.23Å; A949-K951 VanDerWaalsContact O-N 3.09Å; K951-S953 PolarHBondContact O-N 2.96Å |
| 952 | N | 31.6 | Very low | 31.3 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | trans | -42.1 | 126.7 | 163.3 | -60.1 | -16.4 | 0 | 0 | 0 | 109.7 | N950 | N950-N952 PolarHBondContact OD1-OD1 3.47Š|
| 953 | S | 25.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | | | cis | 61.9 | 142.9 | 33.4 | -160.3 | 0 | 0 | 0 | 0 | 113.9 | K951 | K951-S953 PolarHBondContact O-N 2.96Š|
| 954 | L | 30.7 | Very low | 31 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | | | trans | 66 | 121.6 | -172.5 | -45.7 | 179.3 | 0 | 0 | 0 | 112.7 | | |
| 955 | S | 27.9 | Very low | 31 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | cis | 51.5 | 73 | 18.1 | -71.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 956 | L | 32.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 62% | 0.618 | 70% | 0.703 | S | S | * | * | | | trans | -158.4 | 135.7 | 152.6 | -140.5 | 62.9 | 0 | 0 | 0 | 112.6 | | |
| 957 | E | 27.5 | Very low | 31.4 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | | | trans | -65.2 | 134 | 158.8 | -54.8 | 160.6 | 86.3 | 0 | 0 | 109 | K181 | K181-E957 WeakPolarHBondContact CE-O 3.47Š|
| 958 | N | 30.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | | | trans | -152.5 | 135.1 | 162.4 | -104.4 | -37.2 | 0 | 0 | 0 | 116 | K181 | K181-N958 PolarHBondContact NZ-OD1 2.88Š|
| 959 | D | 29.4 | Very low | 32.4 | Very low | 61 Ų | 61 | 124.8 Ų | 124.8 | 33% | 0.326 | 70% | 0.701 | S | S | . | * | | | trans | -77.4 | 142.3 | 176.1 | -54.2 | -102.7 | 0 | 0 | 0 | 111.6 | N179 K181 V961 | N179-D959 PolarHBondContact ND2-OD1 2.87Å; K181-D959 WeakPolarHBondContact CE-OD2 3.18Å; K181-D959 IonicContact NZ-OD2 2.74Å; K181-D959 PolarHBondContact NZ-OD2 3.36Å; D959-V961 HydrophobicContact CB-CG2 4.15Å |
| 960 | C | 31.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 86% | 0.858 | 71% | 0.705 | S | S | * | * | | | trans | -153.1 | 119.5 | 148.6 | -93.5 | 0 | 0 | 0 | 0 | 106 | | |
| 961 | V | 33.6 | Very low | 33.2 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 52% | 0.521 | 71% | 0.709 | S | S | . | * | | | cis | 65.5 | 64.2 | 19.6 | -159.7 | 0 | 0 | 0 | 0 | 114.1 | K176 D959 | K176-V961 HydrophobicContact CB-CG1 4.46Å; D959-V961 HydrophobicContact CB-CG2 4.15Å |
| 962 | S | 31.7 | Very low | 33.3 | Very low | 70 Ų | 70 | 129 Ų | 129 | 49% | 0.49 | 71% | 0.707 | S | S | . | * | | | trans | 79.7 | 129.8 | 131 | -51.5 | 0 | 0 | 0 | 0 | 121.5 | K176 | K176-S962 WeakPolarHBondContact CD-OG 3.27Å; K176-S962 VanDerWaalsContact CE-CB 3.45Å; K176-S962 WeakPolarHBondContact CE-OG 3.49Å |
| 963 | R | 36.9 | Very low | 33.5 | Very low | 234 Ų | 234 | 129 Ų | 129 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | | | | -138.4 | 163.1 | 126.2 | -128.9 | 178.5 | -173.6 | -150.2 | -0 | 111.9 | | |
| 964 | S | 33.1 | Very low | 34.1 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | | | trans | -162.6 | 117.1 | -172 | -34.3 | 0 | 0 | 0 | 0 | 109.2 | K176 | K176-S964 PolarHBondContact NZ-OG 2.8Š|
| 965 | T | 36.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | -159.6 | 109.6 | 175.8 | 37 | 0 | 0 | 0 | 0 | 106.1 | | |
| 966 | T | 33.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | | 90.3 | 157.3 | 61.5 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 967 | T | 36.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | | | trans | 70 | 105.4 | 158.1 | 43.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 968 | N | 42.5 | Very low | 35.4 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | | 110.6 | 126.9 | 123.9 | -62.8 | 0.5 | 0 | 0 | 0 | 119.9 | | |
| 969 | D | 35.2 | Very low | 35.7 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | -68.4 | 121.6 | 160.3 | -55.9 | -92.3 | 0 | 0 | 0 | 111.5 | | |
| 970 | R | 36.8 | Very low | 36 | Very low | 241 Ų | 241 | 136.5 Ų | 136.5 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | | | trans | -178 | 148.4 | 130.7 | -102.2 | 172.4 | -179.9 | -154 | -0.9 | 110.7 | | |
| 971 | L | 37.3 | Very low | 36.3 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.6 | 168.9 | -71.3 | 153.1 | 0 | 0 | 0 | 110.2 | | |
| 972 | P | 38.9 | Very low | 36.2 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | | -100.1 | 145.1 | 115.2 | -22 | 35.6 | 0 | 0 | 0 | 112.9 | | |
| 973 | L | 35.9 | Very low | 36.5 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 155.2 | 173.1 | -71.8 | 160.6 | 0 | 0 | 0 | 110.7 | | |
| 974 | P | 38.5 | Very low | 36.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.7 | 176.5 | 29.6 | -34.3 | 0 | 0 | 0 | 111.4 | L976 | P974-L976 PolarHBondContact O-N 2.81Š|
| 975 | P | 43.1 | Very low | 36.5 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 131.1 | 161.2 | -18.3 | 32.1 | 0 | 0 | 0 | 109.8 | | |
| 976 | L | 31.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 159.1 | 176.4 | -82.5 | 169.6 | 0 | 0 | 0 | 111.5 | P974 | P974-L976 PolarHBondContact O-N 2.81Š|
| 977 | Q | 37.4 | Very low | 36.4 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | 72.1 | 121.7 | 171.2 | -64 | 158 | -13.2 | 0 | 0 | 114.2 | | |
| 978 | K | 34 | Very low | 36.4 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | | 74.5 | 117.4 | 56.1 | -173.5 | 170.9 | -179 | -179.1 | 0 | 109.5 | | |
| 979 | S | 36.1 | Very low | 36.1 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | cis | -157.5 | 150 | 39.3 | 49.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 980 | T | 36.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | | | trans | 49.2 | 131.7 | 139.5 | 58.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 981 | G | 36.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -173.2 | 7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 982 | E | 31.9 | Very low | 37.7 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 60.8 | 167.1 | 171.1 | -67 | -50.5 | 103.3 | 0 | 0 | 118.3 | | |
| 983 | P | 38.1 | Very low | 38.7 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -104.5 | 148.8 | -151.1 | 38 | -34.8 | 0 | 0 | 0 | 116.3 | | |
| 984 | S | 37.1 | Very low | 40.7 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -144.3 | 149.4 | 159.7 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 985 | E | 31.5 | Very low | 43.1 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | | | trans | -79.3 | 127 | -175.3 | -53.8 | -177.6 | 131.4 | 0 | 0 | 111.8 | | |
| 986 | S | 35.3 | Very low | 45.4 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | | | trans | -176.1 | 142.8 | 143.9 | 37.7 | 0 | 0 | 0 | 0 | 115 | | |
| 987 | S | 33.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | 3.1 | 112.2 | 158.3 | 54.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 988 | S | 36.9 | Very low | 51 | Low | 120 Ų | 120 | 122 Ų | 122 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | | | trans | -137.9 | 99.2 | 132 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | T990 | S988-T990 PolarHBondContact O-N 3.25Å; S988-T990 VanDerWaalsContact O-N 3.13Å |
| 989 | S | 35.6 | Very low | 53.8 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | | | trans | -83.5 | 92.2 | -165.9 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 990 | T | 46.9 | Very low | 56.4 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | | | trans | -77.6 | 133.1 | 150.2 | 55.5 | 0 | 0 | 0 | 0 | 108.7 | S988 I992 | S988-T990 PolarHBondContact O-N 3.25Å; S988-T990 VanDerWaalsContact O-N 3.13Å; T990-I992 PolarHBondContact O-N 2.78Å; T990-I992 VanDerWaalsContact O-N 3.11Å |
| 991 | P | 43 | Very low | 59.2 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | | | trans | -69.8 | 113.9 | -177.1 | 26.3 | -33 | 0 | 0 | 0 | 109.9 | N993 | P991-N993 PolarHBondContact O-N 2.85Š|
| 992 | I | 54.3 | Low | 61.7 | Low | 153 Ų | 153 | 120.2 Ų | 120.2 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | | | trans | -71 | 73.4 | 175.7 | -51.7 | 178.9 | 0 | 0 | 0 | 109.3 | T990 K994 | T990-I992 PolarHBondContact O-N 2.78Å; T990-I992 VanDerWaalsContact O-N 3.11Å; I992-K994 PolarHBondContact O-N 3.48Å |
| 993 | N | 58.7 | Low | 64.6 | Low | 93 Ų | 93 | 117.9 Ų | 117.9 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | | | trans | -64.8 | 117.2 | 172.4 | -167.3 | -18.2 | 0 | 0 | 0 | 107.7 | P991 F995 | P991-N993 PolarHBondContact O-N 2.85Å; N993-F995 HydrophobicContact CB-CE2 4.46Å; N993-F995 WeakPolarHBondContact O-CD2 3.28Å; N993-F995 WeakPolarHBondContact O-CE2 3.17Å; N993-F995 PolarHBondContact O-N 3.3Å |
| 994 | K | 78.9 | Confident | 67.2 | Low | 161 Ų | 161 | 116.6 Ų | 116.6 | 70% | 0.7 | 63% | 0.625 | S | S | * | * | | | trans | -71.5 | 86.7 | -166.6 | -66.2 | 179.3 | 179.7 | 177.5 | 0 | 110.7 | I992 Y996 | I992-K994 PolarHBondContact O-N 3.48Å; K994-Y996 WeakPolarHBondContact O-CD2 3.41Å; K994-Y996 WeakPolarHBondContact O-CE2 3.4Å |
| 995 | F | 88.7 | Confident | 69.9 | Low | 141 Ų | 141 | 112.6 Ų | 112.6 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | | | trans | -68.6 | 130.5 | 178.8 | -65.9 | -75 | 0 | 0 | 0 | 112.1 | N993 F1005 | N993-F995 HydrophobicContact CB-CE2 4.46Å; N993-F995 WeakPolarHBondContact O-CD2 3.28Å; N993-F995 WeakPolarHBondContact O-CE2 3.17Å; N993-F995 PolarHBondContact O-N 3.3Å; F995-F1005 CarbonylContact C-O 3.56Å; F995-F1005 WeakPolarHBondContact CA-O 3.42Å |
| 996 | Y | 92 | Very high | 72.8 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 31% | 0.31 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 105.5 | -179.2 | -61.9 | -89.8 | 0 | 0 | 0 | 109.8 | K994 F1005 K1008 | K994-Y996 WeakPolarHBondContact O-CD2 3.41Å; K994-Y996 WeakPolarHBondContact O-CE2 3.4Å; Y996-F1005 PolarHBondContact N-O 3.01Å; Y996-F1005 PolarHBondContact O-N 3.14Å; Y996-K1008 HydrophobicContact CD1-CB 3.81Å; Y996-K1008 HydrophobicContact CD1-CG 4.16Å; Y996-K1008 HydrophobicContact CE1-CB 3.58Å; Y996-K1008 HydrophobicContact CE1-CG 4.05Å; Y996-K1008 HydrophobicContact CE2-CB 4.32Å; Y996-K1008 VanDerWaalsContact CE2-N 3.33Å; Y996-K1008 HydrophobicContact CG-CB 4.29Å |
| 997 | R | 91.3 | Very high | 75.5 | Confident | 177 Ų | 177 | 110.8 Ų | 110.8 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.4 | 178.5 | -171.5 | -176.1 | -69.7 | -178.8 | 0 | 111.4 | G1002 T1004 R1011 | R997-G1002 WeakPolarHBondContact CG-O 3.45Å; R997-T1004 HydrophobicContact CB-CG2 4.28Å; R997-T1004 HydrophobicContact CG-CG2 4.38Å; R997-R1011 VanDerWaalsContact C-CD 3.48Å; R997-R1011 WeakPolarHBondContact O-CD 3.43Å |
| 998 | C | 94.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 111.4 Ų | 111.4 | 1% | 0.007 | 56% | 0.556 | C | S | . | * | | | trans | -62.4 | 128.4 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | Y1000 G1002 K1003 F1005 R1011 E1015 | C998-Y1000 VanDerWaalsContact C-N 3.31Å; C998-Y1000 PolarHBondContact O-N 3.06Å; C998-G1002 WeakPolarHBondContact O-CA 3.39Å; C998-G1002 PolarHBondContact O-N 2.82Å; C998-K1003 VanDerWaalsContact CB-O 3.31Å; C998-K1003 WeakPolarHBondContact CB-O 3.3Å; C998-K1003 PolarHBondContact N-O 3.49Å; C998-F1005 HydrophobicContact CB-CE2 4.29Å; C998-R1011 HydrophobicContact CB-CG 4.21Å; C998-E1015 HydrophobicContact CB-CG 4.44Å |
| 999 | R | 91.6 | Very high | 80.9 | Confident | 213 Ų | 213 | 110.8 Ų | 110.8 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -35.2 | -178.8 | -72.1 | 178.1 | 170.6 | 179.9 | -3.8 | 113.8 | E1015 | R999-E1015 PolarHBondContact N-OE1 3.14Š|
| 1000 | Y | 92.1 | Very high | 83.7 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -20 | -170.3 | -58.7 | -73.5 | 0 | 0 | 0 | 115.6 | C998 E1015 H1018 T1019 | C998-Y1000 VanDerWaalsContact C-N 3.31Å; C998-Y1000 PolarHBondContact O-N 3.06Å; Y1000-E1015 HydrophobicContact CD2-CB 4.32Å; Y1000-E1015 HydrophobicContact CD2-CG 4.18Å; Y1000-E1015 HydrophobicContact CE2-CB 4.2Å; Y1000-E1015 HydrophobicContact CE2-CG 4.38Å; Y1000-H1018 VanDerWaalsContact CB-CG 3.46Å; Y1000-H1018 HydrophobicContact CD1-CB 4.41Å; Y1000-H1018 HydrophobicContact CD2-CB 3.45Å; Y1000-H1018 VanDerWaalsContact CD2-CB 3.45Å; Y1000-H1018 AromaticContact CD2-CG 3.93Å; Y1000-H1018 HydrophobicContact CE2-CB 4.11Å; Y1000-H1018 HydrophobicContact CG-CB 3.63Å; Y1000-H1018 AromaticContact CG-CG 3.89Å; Y1000-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1000-T1019 VanDerWaalsContact OH-CG2 3.25Å; Y1000-T1019 WeakPolarHBondContact OH-CG2 3.34Å |
| 1001 | C | 94.1 | Very high | 85.9 | Confident | 46 Ų | 46 | 104 Ų | 104 | 31% | 0.311 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | 11.7 | -176.3 | 69.8 | 0 | 0 | 0 | 0 | 115 | K1003 H1014 H1018 | C1001-K1003 PolarHBondContact O-N 3.36Å; C1001-H1014 PolarHBondContact SG-NE2 2.79Å; C1001-H1018 PolarHBondContact SG-NE2 2.86Å |
| 1002 | G | 90.5 | Very high | 88.3 | Confident | 41 Ų | 41 | 101.3 Ų | 101.3 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | | | trans | 68.2 | -5.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R997 C998 T1004 | R997-G1002 WeakPolarHBondContact CG-O 3.45Å; C998-G1002 WeakPolarHBondContact O-CA 3.39Å; C998-G1002 PolarHBondContact O-N 2.82Å; G1002-T1004 PolarHBondContact O-N 3.09Å |
| 1003 | K | 91.1 | Very high | 90.1 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 48% | 0.478 | 44% | 0.439 | S | S | . | . | | | trans | -64 | 130.2 | -178.7 | -66.1 | -180 | -174.7 | -179.5 | 0 | 110.8 | C998 C1001 F1005 | C998-K1003 VanDerWaalsContact CB-O 3.31Å; C998-K1003 WeakPolarHBondContact CB-O 3.3Å; C998-K1003 PolarHBondContact N-O 3.49Å; C1001-K1003 PolarHBondContact O-N 3.36Å; K1003-F1005 HydrophobicContact CB-CE2 4.16Å; K1003-F1005 WeakPolarHBondContact O-CD2 3.1Å; K1003-F1005 WeakPolarHBondContact O-CE2 3.35Å |
| 1004 | T | 93.5 | Very high | 91.7 | Very high | 89 Ų | 89 | 93.5 Ų | 93.5 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 150.1 | -176.1 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | R997 G1002 | R997-T1004 HydrophobicContact CB-CG2 4.28Å; R997-T1004 HydrophobicContact CG-CG2 4.38Å; G1002-T1004 PolarHBondContact O-N 3.09Å |
| 1005 | F | 93.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 86.7 Ų | 86.7 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.8 | -179.6 | -63.9 | -95.5 | 0 | 0 | 0 | 110.7 | F995 Y996 C998 K1003 R1007 C1010 R1011 H1014 | F995-F1005 CarbonylContact C-O 3.56Å; F995-F1005 WeakPolarHBondContact CA-O 3.42Å; Y996-F1005 PolarHBondContact N-O 3.01Å; Y996-F1005 PolarHBondContact O-N 3.14Å; C998-F1005 HydrophobicContact CB-CE2 4.29Å; K1003-F1005 HydrophobicContact CB-CE2 4.16Å; K1003-F1005 WeakPolarHBondContact O-CD2 3.1Å; K1003-F1005 WeakPolarHBondContact O-CE2 3.35Å; F1005-R1007 VanDerWaalsContact C-N 3.29Å; F1005-R1007 PolarHBondContact O-N 2.96Å; F1005-C1010 HydrophobicContact CB-CB 4.12Å; F1005-C1010 HydrophobicContact CD1-CB 3.7Å; F1005-C1010 HydrophobicContact CG-CB 4.2Å; F1005-R1011 HydrophobicContact CB-CB 4.24Å; F1005-R1011 HydrophobicContact CD2-CB 3.86Å; F1005-R1011 HydrophobicContact CD2-CG 4.12Å; F1005-R1011 HydrophobicContact CG-CB 4.19Å; F1005-H1014 HydrophobicContact CE1-CB 4.2Å; F1005-H1014 HydrophobicContact CE2-CB 4.16Å; F1005-H1014 AromaticContact CE2-CD2 3.34Å; F1005-H1014 WeakPolarHBondContact CE2-CD2 3.34Å; F1005-H1014 HydrophobicContact CZ-CB 3.6Å; F1005-H1014 AromaticContact CZ-CD2 3.22Å; F1005-H1014 WeakPolarHBondContact CZ-CD2 3.43Å; F1005-H1014 AromaticContact CZ-CG 3.55Å |
| 1006 | N | 92.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 82.7 Ų | 82.7 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -79.7 | -3 | 176.5 | 63.5 | -8.6 | 0 | 0 | 0 | 114.3 | | |
| 1007 | R | 92.1 | Very high | 92.8 | Very high | 171 Ų | 171 | 82 Ų | 82 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -145.5 | 139.8 | -178.4 | -63.5 | -178.2 | 179.2 | -178.5 | -1.6 | 111.6 | F1005 F1009 C1010 R1011 | F1005-R1007 VanDerWaalsContact C-N 3.29Å; F1005-R1007 PolarHBondContact O-N 2.96Å; R1007-F1009 PolarHBondContact O-N 2.81Å; R1007-C1010 HydrophobicContact CB-CB 4.32Å; R1007-C1010 WeakPolarHBondContact O-CB 3.49Å; R1007-C1010 PolarHBondContact O-N 3.32Å; R1007-C1010 VanDerWaalsContact O-N 3.09Å; R1007-R1011 PolarHBondContact O-N 3.09Å |
| 1008 | K | 92.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 77.6 Ų | 77.6 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.6 | -51.7 | 179.2 | -173.3 | -172.5 | 173.4 | -169 | 0 | 111.8 | Y996 C1010 R1011 E1012 | Y996-K1008 HydrophobicContact CD1-CB 3.81Å; Y996-K1008 HydrophobicContact CD1-CG 4.16Å; Y996-K1008 HydrophobicContact CE1-CB 3.58Å; Y996-K1008 HydrophobicContact CE1-CG 4.05Å; Y996-K1008 HydrophobicContact CE2-CB 4.32Å; Y996-K1008 VanDerWaalsContact CE2-N 3.33Å; Y996-K1008 HydrophobicContact CG-CB 4.29Å; K1008-C1010 VanDerWaalsContact C-N 3.3Å; K1008-C1010 PolarHBondContact O-N 3.47Å; K1008-R1011 WeakPolarHBondContact O-CB 3.12Å; K1008-R1011 PolarHBondContact O-N 2.94Å; K1008-R1011 VanDerWaalsContact O-N 3.13Å; K1008-E1012 PolarHBondContact O-N 3.24Å |
| 1009 | F | 91.6 | Very high | 92.6 | Very high | 108 Ų | 108 | 80.7 Ų | 80.7 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 179.3 | 179.1 | -110.6 | 0 | 0 | 0 | 113.4 | R1007 E1012 R1013 | R1007-F1009 PolarHBondContact O-N 2.81Å; F1009-E1012 PolarHBondContact O-N 3.04Å; F1009-R1013 WeakPolarHBondContact O-CB 3.33Å; F1009-R1013 PolarHBondContact O-N 3.02Å |
| 1010 | C | 92.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 72.7 Ų | 72.7 | 28% | 0.284 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.8 | -36 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | F1005 R1007 K1008 H1014 | F1005-C1010 HydrophobicContact CB-CB 4.12Å; F1005-C1010 HydrophobicContact CD1-CB 3.7Å; F1005-C1010 HydrophobicContact CG-CB 4.2Å; R1007-C1010 HydrophobicContact CB-CB 4.32Å; R1007-C1010 WeakPolarHBondContact O-CB 3.49Å; R1007-C1010 PolarHBondContact O-N 3.32Å; R1007-C1010 VanDerWaalsContact O-N 3.09Å; K1008-C1010 VanDerWaalsContact C-N 3.3Å; K1008-C1010 PolarHBondContact O-N 3.47Å; C1010-H1014 WeakPolarHBondContact O-CB 3.47Å; C1010-H1014 PolarHBondContact O-N 3.26Å |
| 1011 | R | 95 | Very high | 92.6 | Very high | 49 Ų | 49 | 70 Ų | 70 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 170.8 | -173.1 | -150.7 | 64.2 | -157.3 | 6.8 | 110.6 | R997 C998 F1005 R1007 K1008 R1013 H1014 E1015 | R997-R1011 VanDerWaalsContact C-CD 3.48Å; R997-R1011 WeakPolarHBondContact O-CD 3.43Å; C998-R1011 HydrophobicContact CB-CG 4.21Å; F1005-R1011 HydrophobicContact CB-CB 4.24Å; F1005-R1011 HydrophobicContact CD2-CB 3.86Å; F1005-R1011 HydrophobicContact CD2-CG 4.12Å; F1005-R1011 HydrophobicContact CG-CB 4.19Å; R1007-R1011 PolarHBondContact O-N 3.09Å; K1008-R1011 WeakPolarHBondContact O-CB 3.12Å; K1008-R1011 PolarHBondContact O-N 2.94Å; K1008-R1011 VanDerWaalsContact O-N 3.13Å; R1011-R1013 PolarHBondContact O-N 2.79Å; R1011-H1014 CarbonylContact O-C 3.53Å; R1011-H1014 WeakPolarHBondContact O-CA 3.22Å; R1011-H1014 WeakPolarHBondContact O-CB 3.31Å; R1011-H1014 PolarHBondContact O-N 3.06Å; R1011-E1015 VanDerWaalsContact CD-OE1 3.3Å; R1011-E1015 WeakPolarHBondContact CD-OE1 3.34Å; R1011-E1015 HydrophobicContact CG-CG 4.34Å; R1011-E1015 IonicContact CZ-OE1 2.71Å; R1011-E1015 IonicContact CZ-OE2 3.54Å; R1011-E1015 VanDerWaalsContact NE-CD 3.27Å; R1011-E1015 IonicContact NE-OE1 2.85Å; R1011-E1015 PolarHBondContact NE-OE1 2.74Å; R1011-E1015 IonicContact NE-OE2 2.67Å; R1011-E1015 PolarHBondContact NE-OE2 2.72Å; R1011-E1015 IonicContact NH2-OE2 3.58Å; R1011-E1015 PolarHBondContact NH2-OE2 3.38Å; R1011-E1015 WeakPolarHBondContact O-CG 3.39Å; R1011-E1015 PolarHBondContact O-N 2.94Å |
| 1012 | E | 92.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | -177.6 | -167.6 | -159.8 | 121 | 0 | 0 | 112.4 | K1008 F1009 H1014 E1015 R1016 | K1008-E1012 PolarHBondContact O-N 3.24Å; F1009-E1012 PolarHBondContact O-N 3.04Å; E1012-H1014 PolarHBondContact O-N 3.12Å; E1012-H1014 VanDerWaalsContact O-N 3.11Å; E1012-E1015 PolarHBondContact O-N 2.92Å; E1012-R1016 WeakPolarHBondContact O-CG 3.42Å; E1012-R1016 PolarHBondContact O-N 3.23Å; E1012-R1016 IonicContact OE1-CZ 3.15Å; E1012-R1016 IonicContact OE1-NE 2.62Å; E1012-R1016 IonicContact OE1-NH2 3.03Å; E1012-R1016 PolarHBondContact OE1-NH2 2.98Å |
| 1013 | R | 92 | Very high | 92.6 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.9 | -26.1 | 171.4 | 176.5 | -176.8 | -80.4 | -141.3 | -13.8 | 113 | F1009 R1011 R1035 E1037 | F1009-R1013 WeakPolarHBondContact O-CB 3.33Å; F1009-R1013 PolarHBondContact O-N 3.02Å; R1011-R1013 PolarHBondContact O-N 2.79Å; R1013-R1035 HydrophobicContact CG-CG 4.49Å; R1013-E1037 IonicContact CZ-OE1 2.81Å; R1013-E1037 IonicContact CZ-OE2 3.9Å; R1013-E1037 IonicContact NH1-OE1 2.61Å; R1013-E1037 PolarHBondContact NH1-OE1 3.15Å; R1013-E1037 IonicContact NH1-OE2 2.72Å; R1013-E1037 VanDerWaalsContact NH2-CD 3.34Å; R1013-E1037 IonicContact NH2-OE1 3.93Å; R1013-E1037 PolarHBondContact NH2-OE1 3.41Å; R1013-E1037 IonicContact NH2-OE2 3.68Å; R1013-E1037 PolarHBondContact NH2-OE2 2.94Å; R1013-E1037 VanDerWaalsContact NH2-OE2 3.14Å |
| 1014 | H | 92.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -88.7 | -32.5 | 173.7 | 173.5 | 42.8 | 0 | 0 | 0 | 113 | R762 C1001 F1005 C1010 R1011 E1012 R1016 L1017 H1018 | R762-H1014 PolarHBondContact NH2-NE2 3.49Å; C1001-H1014 PolarHBondContact SG-NE2 2.79Å; F1005-H1014 HydrophobicContact CE1-CB 4.2Å; F1005-H1014 HydrophobicContact CE2-CB 4.16Å; F1005-H1014 AromaticContact CE2-CD2 3.34Å; F1005-H1014 WeakPolarHBondContact CE2-CD2 3.34Å; F1005-H1014 HydrophobicContact CZ-CB 3.6Å; F1005-H1014 AromaticContact CZ-CD2 3.22Å; F1005-H1014 WeakPolarHBondContact CZ-CD2 3.43Å; F1005-H1014 AromaticContact CZ-CG 3.55Å; C1010-H1014 WeakPolarHBondContact O-CB 3.47Å; C1010-H1014 PolarHBondContact O-N 3.26Å; R1011-H1014 CarbonylContact O-C 3.53Å; R1011-H1014 WeakPolarHBondContact O-CA 3.22Å; R1011-H1014 WeakPolarHBondContact O-CB 3.31Å; R1011-H1014 PolarHBondContact O-N 3.06Å; E1012-H1014 PolarHBondContact O-N 3.12Å; E1012-H1014 VanDerWaalsContact O-N 3.11Å; H1014-R1016 PolarHBondContact O-N 2.95Å; H1014-L1017 WeakPolarHBondContact O-CA 3.46Å; H1014-L1017 VanDerWaalsContact O-CB 3.23Å; H1014-L1017 WeakPolarHBondContact O-CB 3.27Å; H1014-L1017 PolarHBondContact O-N 3.33Å; H1014-H1018 AromaticContact CE1-CD2 3.8Å; H1014-H1018 AromaticContact CE1-NE2 3.36Å; H1014-H1018 PolarHBondContact CE1-NE2 3.43Å; H1014-H1018 AromaticContact NE2-NE2 3.68Å |
| 1015 | E | 94 | Very high | 92.7 | Very high | 19 Ų | 19 | 71.4 Ų | 71.4 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -29.9 | 171.9 | -72 | 167.4 | 149.8 | 0 | 0 | 111.3 | C998 R999 Y1000 R1011 E1012 L1017 H1018 T1019 | C998-E1015 HydrophobicContact CB-CG 4.44Å; R999-E1015 PolarHBondContact N-OE1 3.14Å; Y1000-E1015 HydrophobicContact CD2-CB 4.32Å; Y1000-E1015 HydrophobicContact CD2-CG 4.18Å; Y1000-E1015 HydrophobicContact CE2-CB 4.2Å; Y1000-E1015 HydrophobicContact CE2-CG 4.38Å; R1011-E1015 VanDerWaalsContact CD-OE1 3.3Å; R1011-E1015 WeakPolarHBondContact CD-OE1 3.34Å; R1011-E1015 HydrophobicContact CG-CG 4.34Å; R1011-E1015 IonicContact CZ-OE1 2.71Å; R1011-E1015 IonicContact CZ-OE2 3.54Å; R1011-E1015 VanDerWaalsContact NE-CD 3.27Å; R1011-E1015 IonicContact NE-OE1 2.85Å; R1011-E1015 PolarHBondContact NE-OE1 2.74Å; R1011-E1015 IonicContact NE-OE2 2.67Å; R1011-E1015 PolarHBondContact NE-OE2 2.72Å; R1011-E1015 IonicContact NH2-OE2 3.58Å; R1011-E1015 PolarHBondContact NH2-OE2 3.38Å; R1011-E1015 WeakPolarHBondContact O-CG 3.39Å; R1011-E1015 PolarHBondContact O-N 2.94Å; E1012-E1015 PolarHBondContact O-N 2.92Å; E1015-L1017 PolarHBondContact O-N 3.49Å; E1015-H1018 PolarHBondContact O-N 3.3Å; E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.86Å; E1015-T1019 VanDerWaalsContact O-OG1 3.06Å |
| 1016 | R | 94.2 | Very high | 92.7 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.8 | -23.9 | 167.2 | -61.3 | 179.4 | -163.2 | -167.2 | 0.1 | 113.9 | E1012 H1014 H1018 T1019 G1020 I1034 | E1012-R1016 WeakPolarHBondContact O-CG 3.42Å; E1012-R1016 PolarHBondContact O-N 3.23Å; E1012-R1016 IonicContact OE1-CZ 3.15Å; E1012-R1016 IonicContact OE1-NE 2.62Å; E1012-R1016 IonicContact OE1-NH2 3.03Å; E1012-R1016 PolarHBondContact OE1-NH2 2.98Å; H1014-R1016 PolarHBondContact O-N 2.95Å; R1016-H1018 VanDerWaalsContact C-N 3.3Å; R1016-T1019 WeakPolarHBondContact CA-OG1 3.45Å; R1016-G1020 PolarHBondContact O-N 3.04Å; R1016-I1034 HydrophobicContact CB-CG2 3.61Å |
| 1017 | L | 93.1 | Very high | 92.6 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.6 | -17.3 | 171.8 | -57.3 | 176.3 | 0 | 0 | 0 | 112.9 | H1014 E1015 I1034 | H1014-L1017 WeakPolarHBondContact O-CA 3.46Å; H1014-L1017 VanDerWaalsContact O-CB 3.23Å; H1014-L1017 WeakPolarHBondContact O-CB 3.27Å; H1014-L1017 PolarHBondContact O-N 3.33Å; E1015-L1017 PolarHBondContact O-N 3.49Å; L1017-I1034 HydrophobicContact CD2-CD1 3.76Å; L1017-I1034 HydrophobicContact CD2-CG2 4.1Å |
| 1018 | H | 91.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 68.8 Ų | 68.8 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -95.8 | -34.8 | 175.9 | -74.7 | -81.9 | 0 | 0 | 0 | 112.5 | Y1000 C1001 H1014 E1015 R1016 | Y1000-H1018 VanDerWaalsContact CB-CG 3.46Å; Y1000-H1018 HydrophobicContact CD1-CB 4.41Å; Y1000-H1018 HydrophobicContact CD2-CB 3.45Å; Y1000-H1018 VanDerWaalsContact CD2-CB 3.45Å; Y1000-H1018 AromaticContact CD2-CG 3.93Å; Y1000-H1018 HydrophobicContact CE2-CB 4.11Å; Y1000-H1018 HydrophobicContact CG-CB 3.63Å; Y1000-H1018 AromaticContact CG-CG 3.89Å; C1001-H1018 PolarHBondContact SG-NE2 2.86Å; H1014-H1018 AromaticContact CE1-CD2 3.8Å; H1014-H1018 AromaticContact CE1-NE2 3.36Å; H1014-H1018 PolarHBondContact CE1-NE2 3.43Å; H1014-H1018 AromaticContact NE2-NE2 3.68Å; E1015-H1018 PolarHBondContact O-N 3.3Å; R1016-H1018 VanDerWaalsContact C-N 3.3Å |
| 1019 | T | 91.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85.4 | -6.9 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | Y1000 E1015 R1016 V1021 | Y1000-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1000-T1019 VanDerWaalsContact OH-CG2 3.25Å; Y1000-T1019 WeakPolarHBondContact OH-CG2 3.34Å; E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.86Å; E1015-T1019 VanDerWaalsContact O-OG1 3.06Å; R1016-T1019 WeakPolarHBondContact CA-OG1 3.45Å; T1019-V1021 PolarHBondContact O-N 2.7Å |
| 1020 | G | 90.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | | | trans | 68.6 | 0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1016 K1022 | R1016-G1020 PolarHBondContact O-N 3.04Å; G1020-K1022 WeakPolarHBondContact O-CG 3.26Å; G1020-K1022 PolarHBondContact O-N 3.28Å |
| 1021 | V | 91.7 | Very high | 92.3 | Very high | 78 Ų | 78 | 69.8 Ų | 69.8 | 47% | 0.473 | 36% | 0.362 | S | S | . | . | | | trans | -64.4 | 116.1 | -173.5 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | T1019 P1023 | T1019-V1021 PolarHBondContact O-N 2.7Å; V1021-P1023 VanDerWaalsContact O-CD 3.26Å; V1021-P1023 WeakPolarHBondContact O-CD 3.43Å |
| 1022 | K | 92.2 | Very high | 92.2 | Very high | 116 Ų | 116 | 73.1 Ų | 73.1 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | | | trans | -113.2 | 80.6 | -176.6 | -76 | 160.6 | 157.7 | -130.9 | 0 | 110.8 | G1020 Y1024 K1032 F1033 I1034 | G1020-K1022 WeakPolarHBondContact O-CG 3.26Å; G1020-K1022 PolarHBondContact O-N 3.28Å; K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.09Å; K1022-K1032 HydrophobicContact CB-CB 3.7Å; K1022-K1032 HydrophobicContact CD-CB 4.25Å; K1022-K1032 WeakPolarHBondContact CD-O 3.44Å; K1022-K1032 VanDerWaalsContact CE-O 3.26Å; K1022-K1032 WeakPolarHBondContact CE-O 3.23Å; K1022-K1032 HydrophobicContact CG-CB 4.49Å; K1022-K1032 WeakPolarHBondContact CG-O 3.31Å; K1022-K1032 PolarHBondContact NZ-O 2.93Å; K1022-F1033 CarbonylContact C-O 3.54Å; K1022-F1033 VanDerWaalsContact C-O 3.26Å; K1022-F1033 VanDerWaalsContact CA-O 3.26Å; K1022-F1033 WeakPolarHBondContact CA-O 3.44Å; K1022-I1034 HydrophobicContact CG-CD1 4.45Å; K1022-I1034 HydrophobicContact CG-CG1 3.59Å |
| 1023 | P | 92.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | | | trans | -81.2 | 1.7 | -171.6 | 33.6 | -35.7 | 0 | 0 | 0 | 114.4 | V1021 F1033 | V1021-P1023 VanDerWaalsContact O-CD 3.26Å; V1021-P1023 WeakPolarHBondContact O-CD 3.43Å; P1023-F1033 WeakPolarHBondContact CD-O 3.29Å |
| 1024 | Y | 94 | Very high | 92.4 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 91.1 | -178.7 | -53.3 | -73.1 | 0 | 0 | 0 | 110.6 | K1022 F1033 L1036 | K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.09Å; Y1024-F1033 PolarHBondContact N-O 2.67Å; Y1024-F1033 WeakPolarHBondContact O-CD2 3.42Å; Y1024-F1033 PolarHBondContact O-N 3.49Å; Y1024-L1036 HydrophobicContact CD1-CB 4.09Å; Y1024-L1036 HydrophobicContact CD1-CD1 4.02Å; Y1024-L1036 HydrophobicContact CD2-CB 4.42Å; Y1024-L1036 VanDerWaalsContact CD2-N 3.32Å; Y1024-L1036 HydrophobicContact CE1-CB 3.92Å; Y1024-L1036 HydrophobicContact CE1-CD1 4.37Å; Y1024-L1036 HydrophobicContact CE2-CB 4.25Å; Y1024-L1036 HydrophobicContact CG-CB 4.34Å |
| 1025 | S | 92.5 | Very high | 92.4 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 42% | 0.42 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 146.1 | 166.5 | 45.4 | 0 | 0 | 0 | 0 | 111.2 | E1031 K1039 | S1025-E1031 CarbonylContact C-O 3.59Å; S1025-K1039 WeakPolarHBondContact O-CD 3.49Å; S1025-K1039 WeakPolarHBondContact O-CE 3.34Å; S1025-K1039 PolarHBondContact O-NZ 2.93Å |
| 1026 | C | 93.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 74.9 Ų | 74.9 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | | | trans | -65.8 | 164.6 | 163.5 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | L1028 C1029 E1031 F1033 H1042 | C1026-L1028 PolarHBondContact SG-N 3Å; C1026-C1029 CarbonylContact C-O 3.51Å; C1026-C1029 VanDerWaalsContact CB-O 3.26Å; C1026-C1029 WeakPolarHBondContact CB-O 3.07Å; C1026-E1031 PolarHBondContact N-O 2.75Å; C1026-F1033 HydrophobicContact CB-CE2 4.39Å; C1026-H1042 PolarHBondContact SG-CD2 3.2Å; C1026-H1042 PolarHBondContact SG-NE2 2.8Å |
| 1027 | E | 90.5 | Very high | 92.3 | Very high | 156 Ų | 156 | 76.3 Ų | 76.3 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -107.5 | -9.2 | 175.4 | -73.5 | 147.1 | -136.2 | 0 | 0 | 111.8 | K1039 | E1027-K1039 VanDerWaalsContact OE1-CE 3.28Å; E1027-K1039 WeakPolarHBondContact OE1-CE 3.09Å; E1027-K1039 IonicContact OE1-NZ 3.7Å; E1027-K1039 PolarHBondContact OE1-NZ 3.34Å |
| 1028 | L | 90.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 75.1 Ų | 75.1 | 41% | 0.414 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -112.2 | -2.4 | -179.6 | -57.2 | 177.1 | 0 | 0 | 0 | 112.5 | C1026 V1043 L1046 Q1047 F1050 | C1026-L1028 PolarHBondContact SG-N 3Å; L1028-V1043 HydrophobicContact CD1-CG1 4.2Å; L1028-L1046 HydrophobicContact CB-CD1 3.71Å; L1028-L1046 HydrophobicContact CD1-CB 4.04Å; L1028-Q1047 HydrophobicContact CD1-CG 4.2Å; L1028-F1050 HydrophobicContact CB-CE2 4.27Å |
| 1029 | C | 92.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -168.3 | 176.5 | 170.2 | 74.7 | 0 | 0 | 0 | 0 | 109.6 | C1026 E1031 H1042 L1046 | C1026-C1029 CarbonylContact C-O 3.51Å; C1026-C1029 VanDerWaalsContact CB-O 3.26Å; C1026-C1029 WeakPolarHBondContact CB-O 3.07Å; C1029-E1031 VanDerWaalsContact C-N 3.32Å; C1029-E1031 PolarHBondContact O-N 2.85Å; C1029-E1031 PolarHBondContact SG-N 3.11Å; C1029-H1042 VanDerWaalsContact SG-CE1 3.52Å; C1029-H1042 PolarHBondContact SG-NE2 3.06Å; C1029-L1046 HydrophobicContact CB-CD1 4.26Å |
| 1030 | D | 89.3 | Confident | 92.6 | Very high | 149 Ų | 149 | 75 Ų | 75 | 80% | 0.797 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -83 | 6.6 | -177.9 | -60.9 | -72.6 | 0 | 0 | 0 | 115.8 | K1032 | D1030-K1032 WeakPolarHBondContact O-CG 3.27Å; D1030-K1032 PolarHBondContact O-N 2.97Å |
| 1031 | E | 91.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 80.5 Ų | 80.5 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | | | trans | -63.7 | 123.5 | -178.5 | -78.3 | -170.1 | -157.3 | 0 | 0 | 112.3 | S1025 C1026 C1029 F1033 H1042 | S1025-E1031 CarbonylContact C-O 3.59Å; C1026-E1031 PolarHBondContact N-O 2.75Å; C1029-E1031 VanDerWaalsContact C-N 3.32Å; C1029-E1031 PolarHBondContact O-N 2.85Å; C1029-E1031 PolarHBondContact SG-N 3.11Å; E1031-F1033 HydrophobicContact CB-CE2 3.65Å; E1031-F1033 HydrophobicContact CB-CZ 3.79Å; E1031-F1033 WeakPolarHBondContact O-CD2 3.47Å; E1031-F1033 VanDerWaalsContact O-CE2 3.31Å; E1031-F1033 WeakPolarHBondContact O-CE2 3.45Å; E1031-F1033 VanDerWaalsContact OE2-CZ 3.25Å; E1031-F1033 WeakPolarHBondContact OE2-CZ 3.45Å; E1031-H1042 IonicContact OE1-CE1 3.86Å; E1031-H1042 IonicContact OE2-CE1 3.91Å; E1031-H1042 PolarHBondContact OE2-CE1 3.08Å; E1031-H1042 IonicContact OE2-ND1 2.74Å; E1031-H1042 PolarHBondContact OE2-ND1 2.72Å |
| 1032 | K | 94.1 | Very high | 92.9 | Very high | 119 Ų | 119 | 77.9 Ų | 77.9 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.4 | 179.9 | -52.8 | -175.5 | -177.2 | 174.2 | 0 | 111.3 | K1022 D1030 | K1022-K1032 HydrophobicContact CB-CB 3.7Å; K1022-K1032 HydrophobicContact CD-CB 4.25Å; K1022-K1032 WeakPolarHBondContact CD-O 3.44Å; K1022-K1032 VanDerWaalsContact CE-O 3.26Å; K1022-K1032 WeakPolarHBondContact CE-O 3.23Å; K1022-K1032 HydrophobicContact CG-CB 4.49Å; K1022-K1032 WeakPolarHBondContact CG-O 3.31Å; K1022-K1032 PolarHBondContact NZ-O 2.93Å; D1030-K1032 WeakPolarHBondContact O-CG 3.27Å; D1030-K1032 PolarHBondContact O-N 2.97Å |
| 1033 | F | 93.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 15% | 0.154 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.3 | -174.2 | -62.4 | -86.2 | 0 | 0 | 0 | 112.9 | K1022 P1023 Y1024 C1026 E1031 R1035 D1038 K1039 H1042 | K1022-F1033 CarbonylContact C-O 3.54Å; K1022-F1033 VanDerWaalsContact C-O 3.26Å; K1022-F1033 VanDerWaalsContact CA-O 3.26Å; K1022-F1033 WeakPolarHBondContact CA-O 3.44Å; P1023-F1033 WeakPolarHBondContact CD-O 3.29Å; Y1024-F1033 PolarHBondContact N-O 2.67Å; Y1024-F1033 WeakPolarHBondContact O-CD2 3.42Å; Y1024-F1033 PolarHBondContact O-N 3.49Å; C1026-F1033 HydrophobicContact CB-CE2 4.39Å; E1031-F1033 HydrophobicContact CB-CE2 3.65Å; E1031-F1033 HydrophobicContact CB-CZ 3.79Å; E1031-F1033 WeakPolarHBondContact O-CD2 3.47Å; E1031-F1033 VanDerWaalsContact O-CE2 3.31Å; E1031-F1033 WeakPolarHBondContact O-CE2 3.45Å; E1031-F1033 VanDerWaalsContact OE2-CZ 3.25Å; E1031-F1033 WeakPolarHBondContact OE2-CZ 3.45Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-D1038 HydrophobicContact CB-CB 4.48Å; F1033-D1038 HydrophobicContact CD1-CB 3.99Å; F1033-K1039 HydrophobicContact CB-CB 4.29Å; F1033-K1039 HydrophobicContact CD2-CB 3.83Å; F1033-K1039 HydrophobicContact CD2-CG 4.47Å; F1033-K1039 HydrophobicContact CG-CB 4.18Å; F1033-H1042 HydrophobicContact CE1-CB 3.97Å; F1033-H1042 HydrophobicContact CE2-CB 3.93Å; F1033-H1042 AromaticContact CE2-CD2 3.82Å; F1033-H1042 AromaticContact CE2-CG 3.73Å; F1033-H1042 HydrophobicContact CZ-CB 3.4Å; F1033-H1042 AromaticContact CZ-CD2 3.88Å; F1033-H1042 AromaticContact CZ-CG 3.31Å; F1033-H1042 AromaticContact CZ-ND1 3.51Å |
| 1034 | I | 94 | Very high | 92.9 | Very high | 35 Ų | 35 | 76.8 Ų | 76.8 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -77.4 | -22 | 176.7 | -60.4 | 178.3 | 0 | 0 | 0 | 111.6 | R1016 L1017 K1022 | R1016-I1034 HydrophobicContact CB-CG2 3.61Å; L1017-I1034 HydrophobicContact CD2-CD1 3.76Å; L1017-I1034 HydrophobicContact CD2-CG2 4.1Å; K1022-I1034 HydrophobicContact CG-CD1 4.45Å; K1022-I1034 HydrophobicContact CG-CG1 3.59Å |
| 1035 | R | 93.5 | Very high | 92.8 | Very high | 66 Ų | 66 | 76.4 Ų | 76.4 | 25% | 0.249 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -135.4 | 147.2 | -179.1 | -42.3 | -173.4 | -169.2 | 111.8 | -5 | 112.3 | R1013 F1033 E1037 D1038 K1039 | R1013-R1035 HydrophobicContact CG-CG 4.49Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; R1035-E1037 VanDerWaalsContact C-N 3.3Å; R1035-E1037 PolarHBondContact O-N 2.85Å; R1035-D1038 HydrophobicContact CB-CB 4.42Å; R1035-D1038 WeakPolarHBondContact CB-OD2 3Å; R1035-D1038 WeakPolarHBondContact CD-OD2 3.5Å; R1035-D1038 WeakPolarHBondContact CG-OD2 3.31Å; R1035-D1038 IonicContact CZ-OD2 3.23Å; R1035-D1038 IonicContact NE-OD2 2.72Å; R1035-D1038 IonicContact NH1-OD2 3.17Å; R1035-D1038 PolarHBondContact NH1-OD2 3.27Å; R1035-D1038 PolarHBondContact O-N 3.48Å; R1035-K1039 PolarHBondContact O-N 3.46Å |
| 1036 | L | 93.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 75 Ų | 75 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -32.8 | 178.1 | -178.3 | 60.8 | 0 | 0 | 0 | 112 | Y1024 D1038 K1039 K1040 | Y1024-L1036 HydrophobicContact CD1-CB 4.09Å; Y1024-L1036 HydrophobicContact CD1-CD1 4.02Å; Y1024-L1036 HydrophobicContact CD2-CB 4.42Å; Y1024-L1036 VanDerWaalsContact CD2-N 3.32Å; Y1024-L1036 HydrophobicContact CE1-CB 3.92Å; Y1024-L1036 HydrophobicContact CE1-CD1 4.37Å; Y1024-L1036 HydrophobicContact CE2-CB 4.25Å; Y1024-L1036 HydrophobicContact CG-CB 4.34Å; L1036-D1038 PolarHBondContact O-N 3.25Å; L1036-K1039 HydrophobicContact CD1-CD 4.24Å; L1036-K1039 PolarHBondContact O-N 2.88Å; L1036-K1040 HydrophobicContact CD1-CG 4.34Å; L1036-K1040 HydrophobicContact CG-CD 4.26Å; L1036-K1040 HydrophobicContact CG-CG 4.42Å; L1036-K1040 VanDerWaalsContact O-CB 3.31Å; L1036-K1040 WeakPolarHBondContact O-CB 3.42Å; L1036-K1040 WeakPolarHBondContact O-CG 3.13Å; L1036-K1040 PolarHBondContact O-N 3.45Å |
| 1037 | E | 93 | Very high | 92.4 | Very high | 87 Ų | 87 | 79.2 Ų | 79.2 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 176.7 | -56.1 | 98 | 124.6 | 0 | 0 | 112.3 | R1013 R1035 R1041 | R1013-E1037 IonicContact CZ-OE1 2.81Å; R1013-E1037 IonicContact CZ-OE2 3.9Å; R1013-E1037 IonicContact NH1-OE1 2.61Å; R1013-E1037 PolarHBondContact NH1-OE1 3.15Å; R1013-E1037 IonicContact NH1-OE2 2.72Å; R1013-E1037 VanDerWaalsContact NH2-CD 3.34Å; R1013-E1037 IonicContact NH2-OE1 3.93Å; R1013-E1037 PolarHBondContact NH2-OE1 3.41Å; R1013-E1037 IonicContact NH2-OE2 3.68Å; R1013-E1037 PolarHBondContact NH2-OE2 2.94Å; R1013-E1037 VanDerWaalsContact NH2-OE2 3.14Å; R1035-E1037 VanDerWaalsContact C-N 3.3Å; R1035-E1037 PolarHBondContact O-N 2.85Å; E1037-R1041 PolarHBondContact O-N 2.92Å; E1037-R1041 VanDerWaalsContact O-N 3.1Å |
| 1038 | D | 93.1 | Very high | 92.2 | Very high | 38 Ų | 38 | 78.3 Ų | 78.3 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -78.7 | -45.6 | 179.2 | -60.2 | -35.9 | 0 | 0 | 0 | 109.4 | F1033 R1035 L1036 K1040 R1041 H1042 | F1033-D1038 HydrophobicContact CB-CB 4.48Å; F1033-D1038 HydrophobicContact CD1-CB 3.99Å; R1035-D1038 HydrophobicContact CB-CB 4.42Å; R1035-D1038 WeakPolarHBondContact CB-OD2 3Å; R1035-D1038 WeakPolarHBondContact CD-OD2 3.5Å; R1035-D1038 WeakPolarHBondContact CG-OD2 3.31Å; R1035-D1038 IonicContact CZ-OD2 3.23Å; R1035-D1038 IonicContact NE-OD2 2.72Å; R1035-D1038 IonicContact NH1-OD2 3.17Å; R1035-D1038 PolarHBondContact NH1-OD2 3.27Å; R1035-D1038 PolarHBondContact O-N 3.48Å; L1036-D1038 PolarHBondContact O-N 3.25Å; D1038-K1040 PolarHBondContact O-N 2.81Å; D1038-R1041 WeakPolarHBondContact O-CB 3.42Å; D1038-R1041 PolarHBondContact O-N 3.35Å; D1038-R1041 IonicContact OD1-NH2 2.7Å; D1038-H1042 PolarHBondContact O-N 3.38Å |
| 1039 | K | 95.8 | Very high | 92 | Very high | 26 Ų | 26 | 80.7 Ų | 80.7 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -51.1 | -51.9 | 165.7 | 172.6 | -177.1 | 175.2 | 162.8 | 0 | 111.5 | S1025 E1027 F1033 R1035 L1036 R1041 H1042 V1043 | S1025-K1039 WeakPolarHBondContact O-CD 3.49Å; S1025-K1039 WeakPolarHBondContact O-CE 3.34Å; S1025-K1039 PolarHBondContact O-NZ 2.93Å; E1027-K1039 VanDerWaalsContact OE1-CE 3.28Å; E1027-K1039 WeakPolarHBondContact OE1-CE 3.09Å; E1027-K1039 IonicContact OE1-NZ 3.7Å; E1027-K1039 PolarHBondContact OE1-NZ 3.34Å; F1033-K1039 HydrophobicContact CB-CB 4.29Å; F1033-K1039 HydrophobicContact CD2-CB 3.83Å; F1033-K1039 HydrophobicContact CD2-CG 4.47Å; F1033-K1039 HydrophobicContact CG-CB 4.18Å; R1035-K1039 PolarHBondContact O-N 3.46Å; L1036-K1039 HydrophobicContact CD1-CD 4.24Å; L1036-K1039 PolarHBondContact O-N 2.88Å; K1039-R1041 PolarHBondContact O-N 3.26Å; K1039-H1042 PolarHBondContact O-N 3.11Å; K1039-V1043 HydrophobicContact CG-CG2 4.1Å; K1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; K1039-V1043 PolarHBondContact O-N 2.92Å |
| 1040 | K | 94.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 83.4 Ų | 83.4 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -17.1 | -179.4 | -77.2 | -174.9 | 176.4 | -173 | 0 | 113.4 | L1036 D1038 R1044 | L1036-K1040 HydrophobicContact CD1-CG 4.34Å; L1036-K1040 HydrophobicContact CG-CD 4.26Å; L1036-K1040 HydrophobicContact CG-CG 4.42Å; L1036-K1040 VanDerWaalsContact O-CB 3.31Å; L1036-K1040 WeakPolarHBondContact O-CB 3.42Å; L1036-K1040 WeakPolarHBondContact O-CG 3.13Å; L1036-K1040 PolarHBondContact O-N 3.45Å; D1038-K1040 PolarHBondContact O-N 2.81Å; K1040-R1044 VanDerWaalsContact O-CZ 3.31Å; K1040-R1044 PolarHBondContact O-NE 2.84Å; K1040-R1044 PolarHBondContact O-NH2 3.32Å |
| 1041 | R | 94.1 | Very high | 91.1 | Very high | 161 Ų | 161 | 80.4 Ų | 80.4 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -80.9 | -51.3 | 169.9 | -170 | -171.4 | -50.5 | -168.9 | 7.2 | 110 | E1037 D1038 K1039 V1043 R1044 S1045 | E1037-R1041 PolarHBondContact O-N 2.92Å; E1037-R1041 VanDerWaalsContact O-N 3.1Å; D1038-R1041 WeakPolarHBondContact O-CB 3.42Å; D1038-R1041 PolarHBondContact O-N 3.35Å; D1038-R1041 IonicContact OD1-NH2 2.7Å; K1039-R1041 PolarHBondContact O-N 3.26Å; R1041-V1043 PolarHBondContact O-N 3.11Å; R1041-R1044 PolarHBondContact O-N 2.95Å; R1041-R1044 VanDerWaalsContact O-N 3.12Å; R1041-S1045 PolarHBondContact O-N 3.4Å; R1041-S1045 VanDerWaalsContact O-N 3.08Å; R1041-S1045 PolarHBondContact O-OG 3.41Å |
| 1042 | H | 94.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 82 Ų | 82 | 11% | 0.106 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 178.7 | 166.4 | 98.5 | 0 | 0 | 0 | 112.4 | C1026 C1029 E1031 F1033 D1038 K1039 R1044 S1045 L1046 | C1026-H1042 PolarHBondContact SG-CD2 3.2Å; C1026-H1042 PolarHBondContact SG-NE2 2.8Å; C1029-H1042 VanDerWaalsContact SG-CE1 3.52Å; C1029-H1042 PolarHBondContact SG-NE2 3.06Å; E1031-H1042 IonicContact OE1-CE1 3.86Å; E1031-H1042 IonicContact OE2-CE1 3.91Å; E1031-H1042 PolarHBondContact OE2-CE1 3.08Å; E1031-H1042 IonicContact OE2-ND1 2.74Å; E1031-H1042 PolarHBondContact OE2-ND1 2.72Å; F1033-H1042 HydrophobicContact CE1-CB 3.97Å; F1033-H1042 HydrophobicContact CE2-CB 3.93Å; F1033-H1042 AromaticContact CE2-CD2 3.82Å; F1033-H1042 AromaticContact CE2-CG 3.73Å; F1033-H1042 HydrophobicContact CZ-CB 3.4Å; F1033-H1042 AromaticContact CZ-CD2 3.88Å; F1033-H1042 AromaticContact CZ-CG 3.31Å; F1033-H1042 AromaticContact CZ-ND1 3.51Å; D1038-H1042 PolarHBondContact O-N 3.38Å; K1039-H1042 PolarHBondContact O-N 3.11Å; H1042-R1044 VanDerWaalsContact C-N 3.27Å; H1042-R1044 PolarHBondContact O-N 2.99Å; H1042-S1045 VanDerWaalsContact CA-OG 3.3Å; H1042-S1045 WeakPolarHBondContact CA-OG 3.21Å; H1042-S1045 PolarHBondContact O-N 3.36Å; H1042-S1045 VanDerWaalsContact O-N 3.12Å; H1042-S1045 PolarHBondContact O-OG 3.08Å; H1042-L1046 WeakPolarHBondContact NE2-CD1 3.32Å; H1042-L1046 PolarHBondContact O-N 3.18Å |
| 1043 | V | 92.3 | Very high | 88.2 | Confident | 24 Ų | 24 | 84.5 Ų | 84.5 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L1028 K1039 R1041 L1046 Q1047 | L1028-V1043 HydrophobicContact CD1-CG1 4.2Å; K1039-V1043 HydrophobicContact CG-CG2 4.1Å; K1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; K1039-V1043 PolarHBondContact O-N 2.92Å; R1041-V1043 PolarHBondContact O-N 3.11Å; V1043-L1046 PolarHBondContact O-N 3.37Å; V1043-Q1047 WeakPolarHBondContact O-CB 3.43Å; V1043-Q1047 VanDerWaalsContact O-CG 3.29Å; V1043-Q1047 WeakPolarHBondContact O-CG 3.49Å; V1043-Q1047 PolarHBondContact O-N 2.94Å |
| 1044 | R | 92.7 | Very high | 86.3 | Confident | 136 Ų | 136 | 85.4 Ų | 85.4 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.5 | -36.6 | 177 | -79.8 | 177.5 | -69.8 | 135.9 | 0.8 | 112.9 | K1040 R1041 H1042 Q1047 H1048 | K1040-R1044 VanDerWaalsContact O-CZ 3.31Å; K1040-R1044 PolarHBondContact O-NE 2.84Å; K1040-R1044 PolarHBondContact O-NH2 3.32Å; R1041-R1044 PolarHBondContact O-N 2.95Å; R1041-R1044 VanDerWaalsContact O-N 3.12Å; H1042-R1044 VanDerWaalsContact C-N 3.27Å; H1042-R1044 PolarHBondContact O-N 2.99Å; R1044-Q1047 PolarHBondContact O-N 2.81Å; R1044-H1048 PolarHBondContact O-CD2 3.13Å; R1044-H1048 PolarHBondContact O-N 2.61Å; R1044-H1048 VanDerWaalsContact O-N 3.09Å |
| 1045 | S | 91.7 | Very high | 84.1 | Confident | 65 Ų | 65 | 88.5 Ų | 88.5 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 171.7 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | R1041 H1042 H1048 Y1049 | R1041-S1045 PolarHBondContact O-N 3.4Å; R1041-S1045 VanDerWaalsContact O-N 3.08Å; R1041-S1045 PolarHBondContact O-OG 3.41Å; H1042-S1045 VanDerWaalsContact CA-OG 3.3Å; H1042-S1045 WeakPolarHBondContact CA-OG 3.21Å; H1042-S1045 PolarHBondContact O-N 3.36Å; H1042-S1045 VanDerWaalsContact O-N 3.12Å; H1042-S1045 PolarHBondContact O-OG 3.08Å; S1045-H1048 PolarHBondContact O-N 2.78Å; S1045-Y1049 WeakPolarHBondContact O-CB 3.34Å; S1045-Y1049 PolarHBondContact O-N 3.09Å |
| 1046 | L | 90.3 | Very high | 81.9 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 171.9 | -75.4 | -170.3 | 0 | 0 | 0 | 112.2 | L1028 C1029 H1042 V1043 H1048 Y1049 F1050 | L1028-L1046 HydrophobicContact CB-CD1 3.71Å; L1028-L1046 HydrophobicContact CD1-CB 4.04Å; C1029-L1046 HydrophobicContact CB-CD1 4.26Å; H1042-L1046 WeakPolarHBondContact NE2-CD1 3.32Å; H1042-L1046 PolarHBondContact O-N 3.18Å; V1043-L1046 PolarHBondContact O-N 3.37Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 2.93Å; L1046-Y1049 WeakPolarHBondContact O-CB 3.33Å; L1046-Y1049 PolarHBondContact O-N 3.38Å; L1046-Y1049 VanDerWaalsContact O-N 3.08Å; L1046-F1050 HydrophobicContact CB-CD2 4.14Å; L1046-F1050 HydrophobicContact CB-CE2 3.98Å; L1046-F1050 HydrophobicContact CD1-CE2 4.29Å; L1046-F1050 HydrophobicContact CD2-CE2 4.23Å; L1046-F1050 HydrophobicContact CG-CE2 4.41Å; L1046-F1050 WeakPolarHBondContact O-CD2 3.34Å; L1046-F1050 PolarHBondContact O-N 3.45Å |
| 1047 | Q | 87.3 | Confident | 79.5 | Confident | 100 Ų | 100 | 99.8 Ų | 99.8 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 173.4 | -77.4 | 169.5 | -26.7 | 0 | 0 | 111.2 | L1028 V1043 R1044 Y1049 F1050 S1051 | L1028-Q1047 HydrophobicContact CD1-CG 4.2Å; V1043-Q1047 WeakPolarHBondContact O-CB 3.43Å; V1043-Q1047 VanDerWaalsContact O-CG 3.29Å; V1043-Q1047 WeakPolarHBondContact O-CG 3.49Å; V1043-Q1047 PolarHBondContact O-N 2.94Å; R1044-Q1047 PolarHBondContact O-N 2.81Å; Q1047-Y1049 PolarHBondContact O-N 3.12Å; Q1047-F1050 PolarHBondContact O-N 3.11Å; Q1047-S1051 VanDerWaalsContact O-CB 3.3Å; Q1047-S1051 WeakPolarHBondContact O-CB 3.17Å; Q1047-S1051 PolarHBondContact O-N 3Å; Q1047-S1051 PolarHBondContact O-OG 3.32Å |
| 1048 | H | 85.7 | Confident | 77 | Confident | 136 Ų | 136 | 101.9 Ų | 101.9 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 174.2 | -70.7 | -59.5 | 0 | 0 | 0 | 113.3 | R1044 S1045 L1046 N1052 | R1044-H1048 PolarHBondContact O-CD2 3.13Å; R1044-H1048 PolarHBondContact O-N 2.61Å; R1044-H1048 VanDerWaalsContact O-N 3.09Å; S1045-H1048 PolarHBondContact O-N 2.78Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 2.93Å; H1048-N1052 PolarHBondContact O-N 3.43Å; H1048-N1052 VanDerWaalsContact O-N 3.15Å |
| 1049 | Y | 85.1 | Confident | 74.5 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 178.2 | -173.5 | -93.9 | 0 | 0 | 0 | 112.5 | S1045 L1046 Q1047 R1053 | S1045-Y1049 WeakPolarHBondContact O-CB 3.34Å; S1045-Y1049 PolarHBondContact O-N 3.09Å; L1046-Y1049 WeakPolarHBondContact O-CB 3.33Å; L1046-Y1049 PolarHBondContact O-N 3.38Å; L1046-Y1049 VanDerWaalsContact O-N 3.08Å; Q1047-Y1049 PolarHBondContact O-N 3.12Å; Y1049-R1053 PolarHBondContact OH-NH2 3.33Å |
| 1050 | F | 83.1 | Confident | 71.7 | Confident | 101 Ų | 101 | 108 Ų | 108 | 44% | 0.443 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74 | -42.3 | 177.8 | -68.3 | -59.4 | 0 | 0 | 0 | 112.3 | L1028 L1046 Q1047 N1052 R1053 G1054 | L1028-F1050 HydrophobicContact CB-CE2 4.27Å; L1046-F1050 HydrophobicContact CB-CD2 4.14Å; L1046-F1050 HydrophobicContact CB-CE2 3.98Å; L1046-F1050 HydrophobicContact CD1-CE2 4.29Å; L1046-F1050 HydrophobicContact CD2-CE2 4.23Å; L1046-F1050 HydrophobicContact CG-CE2 4.41Å; L1046-F1050 WeakPolarHBondContact O-CD2 3.34Å; L1046-F1050 PolarHBondContact O-N 3.45Å; Q1047-F1050 PolarHBondContact O-N 3.11Å; F1050-N1052 VanDerWaalsContact C-N 3.27Å; F1050-N1052 PolarHBondContact O-N 3.09Å; F1050-R1053 PolarHBondContact O-N 3.47Å; F1050-G1054 PolarHBondContact O-N 2.83Å; F1050-G1054 VanDerWaalsContact O-N 3.17Å |
| 1051 | S | 81 | Confident | 69.6 | Low | 86 Ų | 86 | 110.6 Ų | 110.6 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.5 | -39.1 | 175.8 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | Q1047 R1053 G1054 | Q1047-S1051 VanDerWaalsContact O-CB 3.3Å; Q1047-S1051 WeakPolarHBondContact O-CB 3.17Å; Q1047-S1051 PolarHBondContact O-N 3Å; Q1047-S1051 PolarHBondContact O-OG 3.32Å; S1051-R1053 VanDerWaalsContact C-N 3.25Å; S1051-R1053 PolarHBondContact O-N 3.06Å; S1051-G1054 PolarHBondContact O-N 3.38Å |
| 1052 | N | 63.2 | Low | 66.9 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.3 | -16.3 | 177.2 | -109.5 | 73.7 | 0 | 0 | 0 | 114.3 | H1048 F1050 | H1048-N1052 PolarHBondContact O-N 3.43Å; H1048-N1052 VanDerWaalsContact O-N 3.15Å; F1050-N1052 VanDerWaalsContact C-N 3.27Å; F1050-N1052 PolarHBondContact O-N 3.09Å |
| 1053 | R | 61.8 | Low | 64.6 | Low | 170 Ų | 170 | 116.7 Ų | 116.7 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -89.7 | -20.4 | 170.7 | -77.1 | -172.4 | 169.9 | -167.2 | -3.1 | 113.5 | Y1049 F1050 S1051 S1055 | Y1049-R1053 PolarHBondContact OH-NH2 3.33Å; F1050-R1053 PolarHBondContact O-N 3.47Å; S1051-R1053 VanDerWaalsContact C-N 3.25Å; S1051-R1053 PolarHBondContact O-N 3.06Å; R1053-S1055 VanDerWaalsContact C-N 3.29Å; R1053-S1055 PolarHBondContact O-N 3.43Å |
| 1054 | G | 52.1 | Low | 62.3 | Low | 55 Ų | 55 | 124.1 Ų | 124.1 | 57% | 0.567 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.6 | -24 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1050 S1051 L1056 | F1050-G1054 PolarHBondContact O-N 2.83Å; F1050-G1054 VanDerWaalsContact O-N 3.17Å; S1051-G1054 PolarHBondContact O-N 3.38Å; G1054-L1056 VanDerWaalsContact C-N 3.27Å; G1054-L1056 PolarHBondContact O-N 2.81Å |
| 1055 | S | 49.4 | Very low | 60.1 | Low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 6.5 | -173.4 | -164.4 | 0 | 0 | 0 | 0 | 115.6 | R1053 | R1053-S1055 VanDerWaalsContact C-N 3.29Å; R1053-S1055 PolarHBondContact O-N 3.43Å |
| 1056 | L | 46.7 | Very low | 57.7 | Low | 152 Ų | 152 | 130.4 Ų | 130.4 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 25.6 | -177.9 | -68.1 | 175.2 | 0 | 0 | 0 | 113 | G1054 | G1054-L1056 VanDerWaalsContact C-N 3.27Å; G1054-L1056 PolarHBondContact O-N 2.81Å |
| 1057 | R | 42 | Very low | 55.3 | Low | 216 Ų | 216 | 132.2 Ų | 132.2 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -140.5 | 39.3 | 179.8 | -78.7 | -162 | 163.8 | -158.2 | -5.3 | 114.8 | | |
| 1058 | T | 41.2 | Very low | 52.9 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -151 | 93.3 | 164.9 | 49 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1059 | S | 41.5 | Very low | 50.7 | Low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -157.9 | 76.8 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1060 | G | 36.3 | Very low | 48.4 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 74 | 88.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1061 | L | 49.7 | Very low | 46.3 | Very low | 179 Ų | 179 | 131 Ų | 131 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | | | trans | -175.2 | 68.2 | 142.7 | -104 | 170.2 | 0 | 0 | 0 | 108.9 | | |
| 1062 | D | 38.3 | Very low | 43.9 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -98.6 | 111.4 | 160.2 | -67.1 | -75.9 | 0 | 0 | 0 | 106.5 | | |
| 1063 | D | 44.5 | Very low | 42.8 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -177.3 | 138.9 | 139.7 | -105.7 | -35.3 | 0 | 0 | 0 | 112.4 | | |
| 1064 | Q | 44.9 | Very low | 41.4 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | 52.2 | 98.6 | 150.5 | -161.7 | 168 | 105.1 | 0 | 0 | 120.3 | | |
| 1065 | I | 45.7 | Very low | 40.7 | Very low | 171 Ų | 171 | 133 Ų | 133 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | | -167 | 140.1 | 122.7 | -97.4 | 153.4 | 0 | 0 | 0 | 108.8 | | |
| 1066 | D | 41.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -116.2 | 154.3 | -174.4 | -169.5 | 15.4 | 0 | 0 | 0 | 112.1 | | |
| 1067 | G | 40.9 | Very low | 40 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 76.2 | 140.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1068 | G | 36.6 | Very low | 39.9 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 139.7 | 71.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1069 | A | 39.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -22.5 | 129.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1070 | G | 35.6 | Very low | 39.6 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | 127.3 | 154.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1071 | L | 38.7 | Very low | 39.9 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | 66.2 | 107.6 | 167.1 | -52.8 | -178.6 | 0 | 0 | 0 | 117.5 | | |
| 1072 | C | 32.1 | Very low | 39.4 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 95% | 0.946 | 80% | 0.796 | S | S | * | * | | | trans | -71.6 | 132.5 | 169.3 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1073 | A | 39.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -138.2 | 149 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1074 | E | 32.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 57% | 0.565 | 79% | 0.79 | S | S | * | * | | | trans | -70.8 | 150.7 | -173.6 | -87.3 | -151.4 | 155.4 | 0 | 0 | 114.6 | L588 S1076 | L588-E1074 VanDerWaalsContact CD1-OE2 3.31Å; L588-E1074 WeakPolarHBondContact CD1-OE2 3.36Å; E1074-S1076 PolarHBondContact O-N 3.16Å |
| 1075 | P | 37 | Very low | 38.9 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -78.3 | 51.9 | 175.1 | 36.2 | -37.9 | 0 | 0 | 0 | 112.8 | | |
| 1076 | S | 38.5 | Very low | 38.5 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -119.1 | 9.8 | -170.6 | -143.1 | 0 | 0 | 0 | 0 | 114.8 | E1074 | E1074-S1076 PolarHBondContact O-N 3.16Š|
| 1077 | S | 43.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -110.5 | -6.1 | -172.6 | 54.3 | 0 | 0 | 0 | 0 | 116 | | |
| 1078 | V | 40.1 | Very low | 38 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | | | trans | -107.4 | 43.9 | -163.6 | -156.4 | 0 | 0 | 0 | 0 | 114 | | |
| 1079 | L | 37.4 | Very low | 37.8 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -146.4 | 69.5 | 171.6 | -83.1 | -177.7 | 0 | 0 | 0 | 113.9 | | |
| 1080 | P | 38.8 | Very low | 37.5 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -140 | 49 | 144.6 | 39.6 | -25.7 | 0 | 0 | 0 | 114.1 | | |
| 1081 | L | 42.6 | Very low | 37.3 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -116.6 | -1.1 | 177 | -94.2 | 168.5 | 0 | 0 | 0 | 115.7 | | |
| 1082 | L | 37.4 | Very low | 37 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106 | 12.9 | -174.6 | -152.5 | 69.9 | 0 | 0 | 0 | 114.2 | | |
| 1083 | A | 39.6 | Very low | 36.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -107.4 | -4.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1084 | Q | 42.6 | Very low | 36.4 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -107.9 | 5.1 | -167.6 | -66.5 | -179 | -8.5 | 0 | 0 | 114.7 | | |
| 1085 | T | 36.6 | Very low | 36.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -114.5 | 10 | -169.1 | -27.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1086 | L | 36.5 | Very low | 36 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -130.5 | 39.8 | -175.1 | -74.2 | 175 | 0 | 0 | 0 | 113.7 | | |
| 1087 | Q | 38.4 | Very low | 35.8 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -146.3 | 79.5 | 170.2 | -104.6 | 155.3 | 14.2 | 0 | 0 | 110.5 | | |
| 1088 | G | 32.8 | Very low | 35.2 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | | | trans | -156.1 | 130.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1089 | G | 33.5 | Very low | 34.8 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 129.7 | 52.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1090 | T | 34.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -175.4 | 150 | 140.7 | 37.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1091 | N | 31.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | cis | -167.4 | 160 | -35.1 | -147.2 | -3.9 | 0 | 0 | 0 | 108.2 | | |
| 1092 | V | 31 | Very low | 33.7 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | | | trans | 76.2 | 145 | 160.5 | 178.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1093 | E | 29.7 | Very low | 33.3 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 73.3 | 75.4 | 164.5 | -83 | 153.9 | -144.8 | 0 | 0 | 120.8 | | |
| 1094 | T | 30.5 | Very low | 33 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -54.1 | 142.6 | 147.7 | 45.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1095 | S | 30.5 | Very low | 32.6 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -151.6 | 148.9 | 136.9 | -152.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1096 | E | 31 | Very low | 32.6 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -112.8 | 157.1 | -164.8 | -59.5 | 157.9 | 128.5 | 0 | 0 | 112 | | |
| 1097 | K | 34.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | 165.9 | 134.7 | 131.9 | -87.7 | -175.2 | 174.2 | -169.6 | 0 | 109.2 | | |
| 1098 | E | 31.3 | Very low | 32.5 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | | 64.9 | 141.1 | 55.2 | -63.4 | -161.3 | 127.8 | 0 | 0 | 113.2 | | |
| 1099 | T | 31.1 | Very low | 32.8 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | cis | -158.4 | 171.2 | -3.2 | 9.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1100 | G | 31.8 | Very low | 32.9 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | 106.5 | 154.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1101 | E | 32.9 | Very low | 32.9 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | cis | -159.1 | 148.9 | -8.2 | -104.4 | -163.7 | 110.7 | 0 | 0 | 110.1 | | |
| 1102 | L | 31.1 | Very low | 33 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | 41.9 | 153.9 | 141.9 | -85.7 | 73.5 | 0 | 0 | 0 | 122.6 | | |
| 1103 | C | 29.6 | Very low | 33.3 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | cis | -175.3 | 170.8 | -22.1 | -133.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1104 | N | 31.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | 62.8 | 152.9 | 158.9 | -52 | -25.7 | 0 | 0 | 0 | 117.1 | | |
| 1105 | G | 35.6 | Very low | 33.8 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | | | cis | -164.1 | -174.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1106 | T | 36 | Very low | 34.1 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | | | cis | -168.8 | 156.9 | 2 | -2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1107 | D | 35.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | 63.2 | 145.5 | 151 | -49.9 | -21 | 0 | 0 | 0 | 120 | | |
| 1108 | E | 37 | Very low | 34.5 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | cis | -165.4 | 168 | -14.2 | -120 | -150.7 | 133.5 | 0 | 0 | 111.4 | | |
| 1109 | Q | 40 | Very low | 34.7 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | 66.6 | 145.6 | 152.9 | -72.5 | 174.9 | 53.7 | 0 | 0 | 120.6 | | |
| 1110 | N | 35 | Very low | 35 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | | | cis | -168.1 | 166.2 | -22.6 | -145 | -24 | 0 | 0 | 0 | 112 | | |
| 1111 | L | 34.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | trans | 64.8 | 118.5 | 159.8 | -61.3 | 165.3 | 0 | 0 | 0 | 118.3 | | |
| 1112 | S | 34 | Very low | 35.4 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | | 95.7 | 145.4 | 62.4 | -76.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1113 | S | 36.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | cis | 179.7 | 155.7 | -10.3 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1114 | H | 36.1 | Very low | 36.1 | Very low | 181 Ų | 181 | 127 Ų | 127 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | 67.7 | 159.5 | 153.9 | -85.8 | -131.3 | 0 | 0 | 0 | 118.5 | | |
| 1115 | V | 35.4 | Very low | 36.3 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | | | cis | -159.7 | 136.4 | -16.3 | 114 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1116 | S | 37.1 | Very low | 36.3 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | | 72.9 | 155.9 | 75.1 | -47 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1117 | E | 38.3 | Very low | 36.3 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | | | trans | 78.8 | 155.8 | 167.7 | -61.4 | 166.4 | -150.2 | 0 | 0 | 118.6 | | |
| 1118 | N | 33.8 | Very low | 36.5 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | | -175.4 | 165 | -51.7 | -109 | 9.5 | 0 | 0 | 0 | 110 | | |
| 1119 | E | 36.1 | Very low | 36.6 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | trans | 64 | 174.7 | 164.1 | -35.1 | -150.5 | 130.2 | 0 | 0 | 117.8 | | |
| 1120 | S | 37.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | | -162.5 | 172.2 | -65.6 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1121 | E | 36.9 | Very low | 36.6 | Very low | 199 Ų | 199 | 124 Ų | 124 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | | | trans | 64.2 | 169.1 | 168.9 | -56.2 | -166.4 | 158.3 | 0 | 0 | 119.2 | | |
| 1122 | G | 36 | Very low | 36.6 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | 123.2 | 92.4 | 170 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1123 | A | 37.1 | Very low | 36.7 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | trans | -93.5 | 165.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1124 | A | 37.7 | Very low | 36.6 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | | | trans | 102.5 | 127.9 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1125 | T | 35.4 | Very low | 36.5 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | | | trans | 75.9 | 104 | 136 | 47.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1126 | A | 35.7 | Very low | 36.9 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | | 98.5 | 147 | 105.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1127 | A | 37.7 | Very low | 36.8 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | 71.1 | 147.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1128 | E | 37.6 | Very low | 36.8 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | cis | -166.1 | 171.9 | -10.9 | -123.3 | 170.3 | 164.6 | 0 | 0 | 111.4 | | |
| 1129 | F | 40.3 | Very low | 36.9 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | | | trans | 61 | 117.3 | 158.9 | -60.2 | -56.4 | 0 | 0 | 0 | 124.1 | | |
| 1130 | D | 38.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | | | | 76.4 | 106.6 | 124.3 | -71.4 | -43.6 | 0 | 0 | 0 | 125.8 | | |
| 1131 | S | 36.9 | Very low | 36.9 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | | 57.6 | 127.3 | 98.5 | -48.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1132 | E | 35.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | | | trans | 65.8 | 156.1 | 152.2 | -67 | -176 | 76.6 | 0 | 0 | 119.1 | | |
| 1133 | S | 34.9 | Very low | 36.9 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | | | cis | -165.1 | 168 | -30.1 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1134 | R | 35.2 | Very low | 37 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | | | trans | 69.9 | 123.5 | 153.5 | -75.1 | -168.6 | 167.9 | 113.7 | 0.2 | 122.9 | | |
| 1135 | D | 34.3 | Very low | 37.1 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | | 69.4 | 175.7 | 126.9 | -44.7 | -24 | 0 | 0 | 0 | 117.6 | | |
| 1136 | P | 43.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | | | | -136.7 | -163.8 | -104.1 | 36.2 | -12.4 | 0 | 0 | 0 | 115.6 | | |
| 1137 | E | 34.9 | Very low | 37.1 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | | | trans | 72.8 | 158.5 | 175.3 | -42 | -170.4 | 128 | 0 | 0 | 112.7 | | |
| 1138 | E | 38.1 | Very low | 36.8 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | cis | -147 | 152.3 | 20.4 | -77 | -170.2 | 152.7 | 0 | 0 | 113.9 | | |
| 1139 | N | 35.6 | Very low | 36.6 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | 61.8 | 157.2 | 135.8 | -64.9 | -36.6 | 0 | 0 | 0 | 126.6 | | |
| 1140 | E | 37.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | | | trans | 78 | 143 | 159.3 | -56.7 | -137.1 | 135.4 | 0 | 0 | 121.1 | | |
| 1141 | H | 37.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | | | cis | -165.4 | -177.3 | -24.8 | -174.9 | 46.4 | 0 | 0 | 0 | 110.1 | N1143 | H1141-N1143 PolarHBondContact CE1-OD1 2.86Å; H1141-N1143 PolarHBondContact NE2-ND2 3.02Å; H1141-N1143 PolarHBondContact NE2-OD1 3.13Å |
| 1142 | C | 35.7 | Very low | 36 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | | | trans | 87.6 | 113.1 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1143 | N | 37.5 | Very low | 36 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | | | cis | 90.7 | 138.1 | 47.9 | -66.1 | 6 | 0 | 0 | 0 | 111.6 | H1141 | H1141-N1143 PolarHBondContact CE1-OD1 2.86Å; H1141-N1143 PolarHBondContact NE2-ND2 3.02Å; H1141-N1143 PolarHBondContact NE2-OD1 3.13Å |
| 1144 | D | 39 | Very low | 36.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | | | cis | -158.4 | -179.9 | -3.1 | -84.5 | -30.7 | 0 | 0 | 0 | 108.1 | | |
| 1145 | D | 39.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | | -164 | 177 | -56.3 | -175.7 | 29.1 | 0 | 0 | 0 | 108 | | |
| 1146 | T | 36.9 | Very low | 36.4 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | | | trans | 73.5 | 110.8 | 163.2 | 51.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1147 | K | 33.9 | Very low | 36.2 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | | | | 42.2 | 152 | 109.9 | -62.4 | 174.7 | -176.7 | 163.9 | 0 | 121.9 | | |
| 1148 | N | 32 | Very low | 36.1 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | 92.1 | 124.8 | 166.3 | -50.8 | -39.3 | 0 | 0 | 0 | 114 | | |
| 1149 | A | 32.8 | Very low | 35.9 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | cis | 99.9 | 147.1 | 31.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1150 | S | 36.1 | Very low | 35.7 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | 71.4 | 157.7 | -165.6 | 84.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1151 | H | 32.2 | Very low | 35.6 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | | | cis | -157.6 | 150.1 | 8.6 | -153.7 | -152.5 | 0 | 0 | 0 | 112.4 | | |
| 1152 | L | 34.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | | | trans | 65.8 | 134.1 | 165 | -57.6 | 169.9 | 0 | 0 | 0 | 117.3 | | |
| 1153 | A | 35.4 | Very low | 35.7 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | | | cis | 86.1 | 148.1 | 43.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1154 | L | 37 | Very low | 35.7 | Very low | 142 Ų | 142 | 131 Ų | 131 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | cis | -164.6 | 159 | 21.3 | -140.3 | 158 | 0 | 0 | 0 | 110.8 | | |
| 1155 | S | 38.8 | Very low | 35.6 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | | | trans | 62.3 | 158.6 | 150.4 | 52.6 | 0 | 0 | 0 | 0 | 122 | | |
| 1156 | D | 38 | Very low | 35.6 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | cis | -172 | 167.4 | -31.4 | -101.1 | -52 | 0 | 0 | 0 | 110.5 | | |
| 1157 | G | 39 | Very low | 35.6 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | 84.7 | 101.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1158 | N | 32.5 | Very low | 35.9 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | 53.3 | 113.5 | 67.6 | -70.7 | -29.3 | 0 | 0 | 0 | 117 | | |
| 1159 | H | 33.5 | Very low | 36.4 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | | -149 | 139.4 | 127.7 | -140.1 | -62.7 | 0 | 0 | 0 | 112.4 | | |
| 1160 | V | 31.6 | Very low | 36.5 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | -125.7 | 132.9 | -178.2 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1161 | I | 35.2 | Very low | 36.4 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | | | trans | -149 | 109 | 161.7 | -59.6 | -172.2 | 0 | 0 | 0 | 104.2 | | |
| 1162 | Q | 36 | Very low | 36.8 | Very low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | | 61 | 140.9 | 84.4 | -62.1 | -179.8 | 41.3 | 0 | 0 | 113.3 | | |
| 1163 | K | 37.8 | Very low | 36.9 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | cis | -163.4 | 158 | 1.4 | -128.8 | 170.2 | 158.9 | -117.3 | 0 | 110.8 | | |
| 1164 | E | 37.5 | Very low | 36.9 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 61% | 0.612 | 80% | 0.795 | S | S | * | * | | | trans | 62.1 | 139 | 143.9 | -79.6 | 156.1 | 176.5 | 0 | 0 | 124.1 | | |
| 1165 | D | 38.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 64.7 | 100.4 | 139.7 | -54.2 | -7.6 | 0 | 0 | 0 | 122 | | |
| 1166 | T | 39.4 | Very low | 36.9 | Very low | 153 Ų | 153 | 161 Ų | 161 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | | | | -164.1 | 85.7 | 117.3 | 11.4 | 0 | 0 | 0 | 0 | 111.5 | D1168 | T1166-D1168 PolarHBondContact O-N 3.22Š|
| 1167 | E | 36.5 | Very low | 36.8 | Very low | 194 Ų | 194 | 160.6 Ų | 160.6 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | -75.6 | 107.5 | 163.4 | -61.3 | -173.8 | 118 | 0 | 0 | 109.5 | | |
| 1168 | D | 40.2 | Very low | 36.6 | Very low | 162 Ų | 162 | 166.4 Ų | 166.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -173.1 | 63.5 | 151 | -112.4 | -22.2 | 0 | 0 | 0 | 114.5 | T1166 | T1166-D1168 PolarHBondContact O-N 3.22Š|
| 1169 | K | 41.5 | Very low | 36.8 | Very low | 205 Ų | 205 | 167.3 Ų | 167.3 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | | | trans | -151.9 | 8.8 | 160.2 | -120.7 | 159.5 | -169.7 | 171.7 | 0 | 116.6 | R1171 | K1169-R1171 VanDerWaalsContact C-N 3.3Å; K1169-R1171 PolarHBondContact O-N 2.74Å; K1169-R1171 VanDerWaalsContact O-N 3.08Å |
| 1170 | L | 35 | Very low | 36.9 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 61.5 | 177.1 | -169.5 | 77 | 0 | 0 | 0 | 111.4 | | |
| 1171 | R | 35.3 | Very low | 36.9 | Very low | 242 Ų | 242 | 163.9 Ų | 163.9 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -148.1 | 15.9 | 179.6 | -128.3 | 177.3 | -164 | -84 | -0.1 | 119.9 | K1169 | K1169-R1171 VanDerWaalsContact C-N 3.3Å; K1169-R1171 PolarHBondContact O-N 2.74Å; K1169-R1171 VanDerWaalsContact O-N 3.08Å |
| 1172 | E | 39.7 | Very low | 36.9 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -136.2 | 25.2 | 170.9 | -158.7 | 133.9 | -137.5 | 0 | 0 | 114.4 | | |
| 1173 | M | 35.9 | Very low | 36.9 | Very low | 184 Ų | 184 | 163.6 Ų | 163.6 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -136.8 | 105.6 | 168.5 | -73.4 | -175.3 | -77.4 | 0 | 0 | 110.1 | | |
| 1174 | K | 36.1 | Very low | 36.9 | Very low | 187 Ų | 187 | 164.8 Ų | 164.8 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | | | trans | 146.3 | 78 | 150.2 | -169.6 | 166 | -174.9 | 172.1 | 0 | 114.3 | | |
| 1175 | T | 37.5 | Very low | 36.8 | Very low | 132 Ų | 132 | 163.8 Ų | 163.8 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -151.6 | 129.9 | 157.4 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1176 | K | 37.8 | Very low | 36.8 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | | | cis | -140.6 | 133.5 | -22.4 | -77.3 | -179.3 | -179.7 | -179.7 | 0 | 104 | | |
| 1177 | L | 36 | Very low | 36.7 | Very low | 146 Ų | 146 | 162 Ų | 162 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | | 70.9 | 73.6 | 64.4 | -162.3 | 90.8 | 0 | 0 | 0 | 113.7 | | |
| 1178 | E | 34.8 | Very low | 36.6 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | 174.6 | 110.6 | 156.6 | -99.6 | 166.8 | 147.5 | 0 | 0 | 103.5 | | |
| 1179 | E | 35.8 | Very low | 36.2 | Very low | 176 Ų | 176 | 160.7 Ų | 160.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | | 126.9 | 162.6 | 59.4 | -128.1 | -163.4 | -162.4 | 0 | 0 | 106.2 | | |
| 1180 | P | 36.2 | Very low | 35.8 | Very low | 101 Ų | 101 | 159.1 Ų | 159.1 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | | | | -120.5 | 161.7 | -84.9 | 37.6 | -27.5 | 0 | 0 | 0 | 116.7 | | |
| 1181 | S | 32.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 155.3 Ų | 155.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 27.8 | 108.6 | 145.4 | -51.6 | 0 | 0 | 0 | 0 | 121 | | |
| 1182 | D | 35.4 | Very low | 35.7 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | trans | -148.6 | 12.6 | 151.1 | -138.3 | -4.6 | 0 | 0 | 0 | 114.2 | L1184 | D1182-L1184 VanDerWaalsContact C-N 3.25Å; D1182-L1184 PolarHBondContact O-N 3.19Å |
| 1183 | D | 35 | Very low | 35.3 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 59.4 | -177.6 | -88.5 | -42.2 | 0 | 0 | 0 | 113.6 | | |
| 1184 | L | 37.9 | Very low | 35.1 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | -4 | 163.7 | -108.1 | 169.5 | 0 | 0 | 0 | 114.2 | D1182 | D1182-L1184 VanDerWaalsContact C-N 3.25Å; D1182-L1184 PolarHBondContact O-N 3.19Å |
| 1185 | L | 35.3 | Very low | 35 | Very low | 109 Ų | 109 | 145 Ų | 145 | 57% | 0.571 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -114.8 | 9.4 | -173.1 | -100.7 | 164.4 | 0 | 0 | 0 | 115.3 | | |
| 1186 | T | 39.6 | Very low | 34.8 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 56% | 0.564 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -95.7 | -25.8 | -176 | 40.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1187 | N | 36.9 | Very low | 34.7 | Very low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -85.3 | -3.6 | 178.1 | -77.9 | -52.9 | 0 | 0 | 0 | 114.8 | | |
| 1188 | L | 33.9 | Very low | 35 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | | | trans | -119.7 | 42.4 | -178.8 | -137.9 | 79.3 | 0 | 0 | 0 | 113.9 | | |
| 1189 | R | 32.3 | Very low | 35.5 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | | | trans | -112.8 | 63.2 | 173.6 | -87.5 | -169.2 | 165.4 | 104 | -7.5 | 114 | T1191 | R1189-T1191 HydrophobicContact CB-CG2 4.15Å; R1189-T1191 HydrophobicContact CG-CG2 4Å; R1189-T1191 PolarHBondContact O-N 3.45Å |
| 1190 | L | 32.9 | Very low | 35.8 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 72% | 0.719 | S | S | * | * | | | trans | -67.8 | 66.8 | 147.7 | -93.3 | 74.7 | 0 | 0 | 0 | 109.4 | S1192 | L1190-S1192 PolarHBondContact O-N 2.75Š|
| 1191 | T | 33.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | | | trans | -72.1 | 86.8 | 169.4 | 57.8 | 0 | 0 | 0 | 0 | 108.4 | R1189 K1193 | R1189-T1191 HydrophobicContact CB-CG2 4.15Å; R1189-T1191 HydrophobicContact CG-CG2 4Å; R1189-T1191 PolarHBondContact O-N 3.45Å; T1191-K1193 PolarHBondContact O-N 3.01Å |
| 1192 | S | 34.4 | Very low | 36.5 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | trans | -56.7 | 104.1 | 176 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | L1190 I1194 | L1190-S1192 PolarHBondContact O-N 2.75Å; S1192-I1194 PolarHBondContact O-N 3.01Å |
| 1193 | K | 31.9 | Very low | 37.1 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | | | trans | -73 | 49 | 170.1 | -79.2 | -175.7 | 176.6 | 172.5 | 0 | 111.2 | T1191 Q1195 | T1191-K1193 PolarHBondContact O-N 3.01Å; K1193-Q1195 VanDerWaalsContact C-N 3.33Å; K1193-Q1195 PolarHBondContact O-N 3.28Å |
| 1194 | I | 31.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | | | trans | -70.6 | 97.2 | 159.7 | -55.2 | 165.8 | 0 | 0 | 0 | 105.2 | S1192 F1196 | S1192-I1194 PolarHBondContact O-N 3.01Å; I1194-F1196 HydrophobicContact CB-CD2 4.21Å; I1194-F1196 HydrophobicContact CG2-CD2 3.38Å; I1194-F1196 HydrophobicContact CG2-CE2 3.66Å; I1194-F1196 HydrophobicContact CG2-CG 3.99Å; I1194-F1196 HydrophobicContact CG2-CZ 4.45Å; I1194-F1196 PolarHBondContact O-N 2.8Å |
| 1195 | Q | 33.9 | Very low | 38 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | | | trans | -65.7 | 81 | 158 | -82.2 | -170.2 | -35 | 0 | 0 | 107.8 | K1193 N1197 | K1193-Q1195 VanDerWaalsContact C-N 3.33Å; K1193-Q1195 PolarHBondContact O-N 3.28Å; Q1195-N1197 PolarHBondContact O-N 3.41Å |
| 1196 | F | 33.1 | Very low | 38.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | | | trans | -58.6 | 112.4 | 164.6 | -103.5 | -71.6 | 0 | 0 | 0 | 106.5 | I1194 K1198 | I1194-F1196 HydrophobicContact CB-CD2 4.21Å; I1194-F1196 HydrophobicContact CG2-CD2 3.38Å; I1194-F1196 HydrophobicContact CG2-CE2 3.66Å; I1194-F1196 HydrophobicContact CG2-CG 3.99Å; I1194-F1196 HydrophobicContact CG2-CZ 4.45Å; I1194-F1196 PolarHBondContact O-N 2.8Å; F1196-K1198 VanDerWaalsContact C-N 3.32Å; F1196-K1198 PolarHBondContact O-N 2.76Å |
| 1197 | N | 36 | Very low | 39.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | | | trans | -73 | 90.4 | -169.4 | -161.8 | -5.1 | 0 | 0 | 0 | 108.3 | Q1195 T1199 R1200 | Q1195-N1197 PolarHBondContact O-N 3.41Å; N1197-T1199 PolarHBondContact O-N 3.17Å; N1197-T1199 PolarHBondContact OD1-OG1 3.11Å; N1197-T1199 VanDerWaalsContact OD1-OG1 3.08Å; N1197-R1200 HydrophobicContact CB-CB 4.29Å; N1197-R1200 WeakPolarHBondContact O-CB 2.96Å; N1197-R1200 PolarHBondContact O-N 3.35Å |
| 1198 | K | 41.9 | Very low | 39.5 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.7 | -17.9 | -163.3 | -155.3 | 170.8 | -174.1 | 175.4 | 0 | 113.7 | F1196 | F1196-K1198 VanDerWaalsContact C-N 3.32Å; F1196-K1198 PolarHBondContact O-N 2.76Å |
| 1199 | T | 45 | Very low | 40 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.4 | -36.8 | 170.2 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | N1197 R1202 A1203 | N1197-T1199 PolarHBondContact O-N 3.17Å; N1197-T1199 PolarHBondContact OD1-OG1 3.11Å; N1197-T1199 VanDerWaalsContact OD1-OG1 3.08Å; T1199-R1202 PolarHBondContact O-N 2.73Å; T1199-A1203 PolarHBondContact O-N 3.32Å |
| 1200 | R | 42.7 | Very low | 40.7 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.1 | -37.4 | -177 | -160.3 | 175.5 | -167.5 | -177.9 | 2.9 | 112.7 | N1197 R1202 A1203 A1204 | N1197-R1200 HydrophobicContact CB-CB 4.29Å; N1197-R1200 WeakPolarHBondContact O-CB 2.96Å; N1197-R1200 PolarHBondContact O-N 3.35Å; R1200-R1202 VanDerWaalsContact C-N 3.34Å; R1200-A1203 PolarHBondContact O-N 2.76Å; R1200-A1204 PolarHBondContact O-N 2.73Å |
| 1201 | C | 38.2 | Very low | 41.2 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 43% | 0.426 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -34.6 | 173.4 | -61 | 0 | 0 | 0 | 0 | 112 | A1203 A1204 L1205 | C1201-A1203 VanDerWaalsContact C-N 3.35Å; C1201-A1204 PolarHBondContact O-N 3.25Å; C1201-L1205 WeakPolarHBondContact O-CB 3.11Å; C1201-L1205 PolarHBondContact O-N 3.13Å |
| 1202 | R | 45.5 | Very low | 41.7 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 73% | 0.725 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -27.3 | 175.7 | -80.7 | -176.3 | 168.3 | -173.4 | -4.9 | 113.8 | T1199 R1200 K1206 | T1199-R1202 PolarHBondContact O-N 2.73Å; R1200-R1202 VanDerWaalsContact C-N 3.34Å; R1202-K1206 VanDerWaalsContact O-CB 3.29Å; R1202-K1206 WeakPolarHBondContact O-CB 3.34Å; R1202-K1206 PolarHBondContact O-N 2.97Å |
| 1203 | A | 46.6 | Very low | 42.1 | Very low | 56 Ų | 56 | 126.6 Ų | 126.6 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.3 | -57.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1199 R1200 C1201 L1205 K1206 E1207 | T1199-A1203 PolarHBondContact O-N 3.32Å; R1200-A1203 PolarHBondContact O-N 2.76Å; C1201-A1203 VanDerWaalsContact C-N 3.35Å; A1203-L1205 PolarHBondContact O-N 3.48Å; A1203-K1206 PolarHBondContact O-N 3.24Å; A1203-K1206 VanDerWaalsContact O-N 3.09Å; A1203-E1207 WeakPolarHBondContact O-CB 3.12Å; A1203-E1207 PolarHBondContact O-N 2.79Å |
| 1204 | A | 45.7 | Very low | 42.5 | Very low | 55 Ų | 55 | 120.4 Ų | 120.4 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.7 | -43.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1200 C1201 K1206 E1207 T1208 | R1200-A1204 PolarHBondContact O-N 2.73Å; C1201-A1204 PolarHBondContact O-N 3.25Å; A1204-K1206 PolarHBondContact O-N 2.87Å; A1204-E1207 PolarHBondContact O-N 3.22Å; A1204-T1208 PolarHBondContact O-N 2.97Å; A1204-T1208 PolarHBondContact O-OG1 3.38Å; A1204-T1208 VanDerWaalsContact O-OG1 3.09Å |
| 1205 | L | 46.1 | Very low | 42.8 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -39.9 | 176.5 | -98 | 156.3 | 0 | 0 | 0 | 112.8 | C1201 A1203 T1208 Q1209 | C1201-L1205 WeakPolarHBondContact O-CB 3.11Å; C1201-L1205 PolarHBondContact O-N 3.13Å; A1203-L1205 PolarHBondContact O-N 3.48Å; L1205-T1208 WeakPolarHBondContact CA-OG1 3.45Å; L1205-T1208 PolarHBondContact O-OG1 3.49Å; L1205-Q1209 WeakPolarHBondContact O-CB 3.44Å; L1205-Q1209 PolarHBondContact O-N 3.11Å |
| 1206 | K | 50.3 | Low | 43 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 66% | 0.657 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.1 | -34.6 | -178.5 | -162.3 | 172.6 | -173.6 | -177.4 | 0 | 111.9 | R1202 A1203 A1204 Q1209 T1210 | R1202-K1206 VanDerWaalsContact O-CB 3.29Å; R1202-K1206 WeakPolarHBondContact O-CB 3.34Å; R1202-K1206 PolarHBondContact O-N 2.97Å; A1203-K1206 PolarHBondContact O-N 3.24Å; A1203-K1206 VanDerWaalsContact O-N 3.09Å; A1204-K1206 PolarHBondContact O-N 2.87Å; K1206-Q1209 PolarHBondContact O-N 3.17Å; K1206-T1210 PolarHBondContact O-N 3.09Å; K1206-T1210 PolarHBondContact O-OG1 2.83Å; K1206-T1210 VanDerWaalsContact O-OG1 3.11Å |
| 1207 | E | 47.8 | Very low | 43.2 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.8 | -38.9 | 174.4 | -160 | 161.6 | -141.7 | 0 | 0 | 111.2 | A1203 A1204 T1210 | A1203-E1207 WeakPolarHBondContact O-CB 3.12Å; A1203-E1207 PolarHBondContact O-N 2.79Å; A1204-E1207 PolarHBondContact O-N 3.22Å; E1207-T1210 PolarHBondContact O-OG1 3.3Å |
| 1208 | T | 45.3 | Very low | 43.2 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.9 | -36.2 | 168.6 | 49 | 0 | 0 | 0 | 0 | 113.3 | A1204 L1205 T1210 A1211 V1212 | A1204-T1208 PolarHBondContact O-N 2.97Å; A1204-T1208 PolarHBondContact O-OG1 3.38Å; A1204-T1208 VanDerWaalsContact O-OG1 3.09Å; L1205-T1208 WeakPolarHBondContact CA-OG1 3.45Å; L1205-T1208 PolarHBondContact O-OG1 3.49Å; T1208-T1210 VanDerWaalsContact C-N 3.28Å; T1208-T1210 PolarHBondContact O-N 3.39Å; T1208-A1211 PolarHBondContact O-N 3.15Å; T1208-A1211 VanDerWaalsContact O-N 3.12Å; T1208-V1212 WeakPolarHBondContact O-CG2 3.28Å |
| 1209 | Q | 45.3 | Very low | 42.7 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.9 | -24.6 | -180 | -131.3 | 168.4 | 3.9 | 0 | 0 | 113 | L1205 K1206 | L1205-Q1209 WeakPolarHBondContact O-CB 3.44Å; L1205-Q1209 PolarHBondContact O-N 3.11Å; K1206-Q1209 PolarHBondContact O-N 3.17Å |
| 1210 | T | 46.1 | Very low | 41.9 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -15.4 | 171.1 | 43.9 | 0 | 0 | 0 | 0 | 114.3 | K1206 E1207 T1208 | K1206-T1210 PolarHBondContact O-N 3.09Å; K1206-T1210 PolarHBondContact O-OG1 2.83Å; K1206-T1210 VanDerWaalsContact O-OG1 3.11Å; E1207-T1210 PolarHBondContact O-OG1 3.3Å; T1208-T1210 VanDerWaalsContact C-N 3.28Å; T1208-T1210 PolarHBondContact O-N 3.39Å |
| 1211 | A | 44.6 | Very low | 41.7 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 56% | 0.562 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -9.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1208 | T1208-A1211 PolarHBondContact O-N 3.15Å; T1208-A1211 VanDerWaalsContact O-N 3.12Å |
| 1212 | V | 43.2 | Very low | 41.5 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -98.8 | -9.9 | -175.4 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | T1208 | T1208-V1212 WeakPolarHBondContact O-CG2 3.28Š|
| 1213 | N | 42.6 | Very low | 41 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -100 | 22.7 | -176.5 | -68.1 | -1.4 | 0 | 0 | 0 | 113.6 | | |
| 1214 | S | 41 | Very low | 40.5 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 52% | 0.524 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -152.7 | 132 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1215 | S | 38.6 | Very low | 40.1 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | 54.4 | 99.4 | -172.3 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1216 | S | 38.2 | Very low | 39.7 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | | 89.7 | 96 | 60.1 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1217 | E | 36.9 | Very low | 39.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | 65.8 | 135.8 | 146.9 | -59.2 | 178 | 166.9 | 0 | 0 | 120.3 | | |
| 1218 | N | 34.9 | Very low | 38.4 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | 58.7 | 75.8 | 161.2 | -62.3 | -13 | 0 | 0 | 0 | 119.3 | | |
| 1219 | C | 31 | Very low | 38 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 90% | 0.899 | 75% | 0.747 | S | S | * | * | | | | -161.7 | 129.8 | 124.4 | -109.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1220 | C | 30.1 | Very low | 37.4 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -127.7 | 100.4 | 179.3 | -78.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1221 | E | 37.4 | Very low | 36.8 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | | | trans | -130.1 | 149.6 | 164.6 | -74 | -155.7 | 115.7 | 0 | 0 | 111.1 | I1223 | E1221-I1223 PolarHBondContact O-N 2.96Š|
| 1222 | L | 34.6 | Very low | 36.5 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -86.5 | 105.1 | -163.7 | -74.7 | 77.8 | 0 | 0 | 0 | 112.5 | K1224 | L1222-K1224 PolarHBondContact O-N 2.74Š|
| 1223 | I | 35.4 | Very low | 36.1 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -70.8 | 92.1 | 165.2 | -57.1 | 180 | 0 | 0 | 0 | 109.4 | E1221 V1225 | E1221-I1223 PolarHBondContact O-N 2.96Å; I1223-V1225 PolarHBondContact O-N 3.48Å |
| 1224 | K | 36.3 | Very low | 35.8 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -61.4 | 113 | 173.1 | -93.4 | 175.4 | 175.8 | 166.2 | 0 | 110.9 | L1222 | L1222-K1224 PolarHBondContact O-N 2.74Š|
| 1225 | V | 35.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -76.3 | 125.5 | 169.9 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | I1223 T1227 | I1223-V1225 PolarHBondContact O-N 3.48Å; V1225-T1227 PolarHBondContact O-N 2.64Å; V1225-T1227 VanDerWaalsContact O-N 3.12Å |
| 1226 | P | 39.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -72.6 | 107.4 | -179.4 | 28.2 | -33.8 | 0 | 0 | 0 | 111 | V1228 | P1226-V1228 PolarHBondContact O-N 3.31Š|
| 1227 | T | 36.4 | Very low | 35.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | -75.4 | 112.6 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | V1225 V1229 | V1225-T1227 PolarHBondContact O-N 2.64Å; V1225-T1227 VanDerWaalsContact O-N 3.12Å; T1227-V1229 HydrophobicContact CG2-CG2 4.05Å; T1227-V1229 PolarHBondContact O-N 2.62Å |
| 1228 | V | 34.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -78.5 | 90.8 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | P1226 L1230 | P1226-V1228 PolarHBondContact O-N 3.31Å; V1228-L1230 PolarHBondContact O-N 2.92Å |
| 1229 | V | 35.4 | Very low | 35.7 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 53% | 0.527 | 80% | 0.8 | S | S | . | * | | | trans | -80.7 | 112.8 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | T1227 F1231 | T1227-V1229 HydrophobicContact CG2-CG2 4.05Å; T1227-V1229 PolarHBondContact O-N 2.62Å; V1229-F1231 HydrophobicContact CB-CD2 4.32Å; V1229-F1231 HydrophobicContact CB-CE2 3.99Å; V1229-F1231 HydrophobicContact CG1-CD2 3.8Å; V1229-F1231 HydrophobicContact CG1-CE1 4.36Å; V1229-F1231 HydrophobicContact CG1-CE2 3.49Å; V1229-F1231 VanDerWaalsContact CG1-CE2 3.49Å; V1229-F1231 HydrophobicContact CG1-CG 4.36Å; V1229-F1231 HydrophobicContact CG1-CZ 3.81Å; V1229-F1231 PolarHBondContact O-N 3.47Å |
| 1230 | L | 34.4 | Very low | 36.1 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -82.1 | 93.7 | 171.9 | -75.8 | 169.5 | 0 | 0 | 0 | 109.9 | V1228 T1232 | V1228-L1230 PolarHBondContact O-N 2.92Å; L1230-T1232 PolarHBondContact O-N 3.24Å |
| 1231 | F | 32.2 | Very low | 36.5 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | | | trans | -74.4 | 104.8 | 168.1 | -73.7 | -80.9 | 0 | 0 | 0 | 110.6 | V1229 | V1229-F1231 HydrophobicContact CB-CD2 4.32Å; V1229-F1231 HydrophobicContact CB-CE2 3.99Å; V1229-F1231 HydrophobicContact CG1-CD2 3.8Å; V1229-F1231 HydrophobicContact CG1-CE1 4.36Å; V1229-F1231 HydrophobicContact CG1-CE2 3.49Å; V1229-F1231 VanDerWaalsContact CG1-CE2 3.49Å; V1229-F1231 HydrophobicContact CG1-CG 4.36Å; V1229-F1231 HydrophobicContact CG1-CZ 3.81Å; V1229-F1231 PolarHBondContact O-N 3.47Å |
| 1232 | T | 37.9 | Very low | 36.3 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -91.2 | 132.8 | 153.3 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | L1230 | L1230-T1232 PolarHBondContact O-N 3.24Š|
| 1233 | T | 35.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -121.4 | 110.7 | 179.5 | 39.6 | 0 | 0 | 0 | 0 | 110 | | |
| 1234 | D | 37.5 | Very low | 36.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -139.9 | 120.9 | 162.6 | -92.3 | -52.2 | 0 | 0 | 0 | 107.3 | A1236 | D1234-A1236 PolarHBondContact O-N 2.64Š|
| 1235 | N | 35.9 | Very low | 36.9 | Very low | 177 Ų | 177 | 139 Ų | 139 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | | | trans | -83.8 | 110.5 | -175.9 | -83.8 | -29.3 | 0 | 0 | 0 | 110.7 | | |
| 1236 | A | 38.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -137.5 | 119.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1234 | D1234-A1236 PolarHBondContact O-N 2.64Š|
| 1237 | T | 36.5 | Very low | 36.8 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | -67.2 | 127.6 | 179.8 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1238 | D | 37.3 | Very low | 36.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | | -155.6 | 177.1 | 129.6 | -134.2 | -42.7 | 0 | 0 | 0 | 112.2 | | |
| 1239 | S | 38.7 | Very low | 37 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 59% | 0.594 | 82% | 0.818 | S | S | * | * | | | trans | -119.6 | 157.1 | -149.4 | 62 | 0 | 0 | 0 | 0 | 117 | | |
| 1240 | K | 38.8 | Very low | 37.1 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | | | trans | 100.5 | 153.5 | 154.7 | -62.5 | 172.7 | -179.2 | 172.1 | 0 | 120.7 | | |
| 1241 | S | 37.6 | Very low | 37.3 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | | | trans | 65.5 | 85.9 | 161.1 | 41.5 | 0 | 0 | 0 | 0 | 119 | | |
| 1242 | S | 34.9 | Very low | 37.6 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | | | trans | -52.2 | 145.9 | 146.6 | -26.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1243 | T | 39 | Very low | 37.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | | | | 176.4 | 131.7 | 106.2 | 37.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1244 | N | 38.4 | Very low | 37.8 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 85% | 0.852 | S | S | * | * | | | trans | 46.5 | 99.6 | 143.5 | -53.6 | -7.1 | 0 | 0 | 0 | 120.6 | | |
| 1245 | L | 40.1 | Very low | 37.8 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 100% | 1.293 | 85% | 0.849 | S | S | * | * | | | | -158.3 | 0 | 117.9 | -117.3 | 166.7 | 0 | 0 | 0 | 111 | | |