| 1 | M | 45.1 | Very low | 54 | Low | 191 Ų | 191 | 114.5 Ų | 114.5 | 94% | 0.941 | 60% | 0.6 | S | S | * | * | | | | 0 | -51.7 | 0 | -101 | -162.2 | -93.6 | 0 | 0 | 111.3 | D3 L4 | M1-D3 PolarHBondContact O-N 2.89Å; M1-D3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 2.82Å; M1-L4 VanDerWaalsContact O-N 3.1Å |
| 2 | C | 45.9 | Very low | 55.3 | Low | 105 Ų | 105 | 111.5 Ų | 111.5 | 71% | 0.709 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -49.8 | -37.7 | -179.1 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | L4 L5 S6 | C2-L4 VanDerWaalsContact C-N 3.27Å; C2-L4 PolarHBondContact O-N 2.81Å; C2-L5 PolarHBondContact O-N 3.11Å; C2-S6 PolarHBondContact O-N 3.45Å |
| 3 | D | 47.4 | Very low | 56.3 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.5 | -33.2 | -177.7 | -40.9 | -81.7 | 0 | 0 | 0 | 112.9 | M1 L5 S6 | M1-D3 PolarHBondContact O-N 2.89Å; M1-D3 VanDerWaalsContact O-N 3.12Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 2.81Å; D3-S6 PolarHBondContact O-N 3.38Å |
| 4 | L | 50.3 | Low | 57.5 | Low | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.9 | -21.7 | 177.6 | -68.3 | 170.5 | 0 | 0 | 0 | 112.7 | M1 C2 | M1-L4 PolarHBondContact O-N 2.82Å; M1-L4 VanDerWaalsContact O-N 3.1Å; C2-L4 VanDerWaalsContact C-N 3.27Å; C2-L4 PolarHBondContact O-N 2.81Å |
| 5 | L | 52.6 | Low | 58.2 | Low | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.3 | -20.1 | 170.7 | -73 | 92 | 0 | 0 | 0 | 112.7 | C2 D3 P8 | C2-L5 PolarHBondContact O-N 3.11Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 2.81Å; L5-P8 WeakPolarHBondContact O-CD 3.46Å; L5-P8 WeakPolarHBondContact O-CG 3.46Å |
| 6 | S | 48.4 | Very low | 58.9 | Low | 51 Ų | 51 | 117.5 Ų | 117.5 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79.3 | -34.7 | -176.8 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | C2 D3 Q9 Q10 | C2-S6 PolarHBondContact O-N 3.45Å; D3-S6 PolarHBondContact O-N 3.38Å; S6-Q9 PolarHBondContact O-N 3.06Å; S6-Q9 VanDerWaalsContact O-N 3.12Å; S6-Q10 PolarHBondContact O-N 3.32Å; S6-Q10 VanDerWaalsContact O-N 3.17Å |
| 7 | Q | 54.6 | Low | 59.4 | Low | 136 Ų | 136 | 118.1 Ų | 118.1 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -53.2 | -48.2 | 179.1 | -66.5 | -170.5 | 12.9 | 0 | 0 | 114.9 | Q9 Q10 Q11 | Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 2.64Å; Q7-Q10 PolarHBondContact O-N 3.03Å; Q7-Q11 PolarHBondContact O-N 2.75Å; Q7-Q11 VanDerWaalsContact O-N 3.16Å |
| 8 | P | 57 | Low | 59.7 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 42% | 0.416 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -34.2 | 177.4 | 22.9 | -33.2 | 0 | 0 | 0 | 113 | L5 Q11 Q12 | L5-P8 WeakPolarHBondContact O-CD 3.46Å; L5-P8 WeakPolarHBondContact O-CG 3.46Å; P8-Q11 PolarHBondContact O-N 2.99Å; P8-Q12 VanDerWaalsContact O-CB 3.32Å; P8-Q12 WeakPolarHBondContact O-CB 3.5Å; P8-Q12 PolarHBondContact O-N 3.14Å |
| 9 | Q | 55.6 | Low | 60 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -45.4 | 178 | -75.4 | -166.4 | -15.3 | 0 | 0 | 112.6 | S6 Q7 Q11 Q12 Q13 | S6-Q9 PolarHBondContact O-N 3.06Å; S6-Q9 VanDerWaalsContact O-N 3.12Å; Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 2.64Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.09Å; Q9-Q12 PolarHBondContact O-N 3.32Å; Q9-Q13 PolarHBondContact O-N 3.27Å |
| 10 | Q | 65.8 | Low | 60.1 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.9 | -41.2 | 175.5 | -74.6 | -168.7 | -5.1 | 0 | 0 | 111.7 | S6 Q7 Q12 Q13 Q14 | S6-Q10 PolarHBondContact O-N 3.32Å; S6-Q10 VanDerWaalsContact O-N 3.17Å; Q7-Q10 PolarHBondContact O-N 3.03Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q10-Q12 PolarHBondContact O-N 2.84Å; Q10-Q13 PolarHBondContact O-N 2.96Å; Q10-Q14 PolarHBondContact O-N 2.8Å |
| 11 | Q | 70.8 | Confident | 59.9 | Low | 91 Ų | 91 | 117.5 Ų | 117.5 | 43% | 0.425 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.5 | -28.6 | 179.2 | -160.8 | 166.1 | 88.6 | 0 | 0 | 112.7 | Q7 P8 Q9 R15 | Q7-Q11 PolarHBondContact O-N 2.75Å; Q7-Q11 VanDerWaalsContact O-N 3.16Å; P8-Q11 PolarHBondContact O-N 2.99Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.09Å; Q11-R15 WeakPolarHBondContact O-CB 3.38Å; Q11-R15 PolarHBondContact O-N 3.22Å |
| 12 | Q | 70.5 | Confident | 60.5 | Low | 78 Ų | 78 | 115.9 Ų | 115.9 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.5 | -39.6 | 170.8 | -164.2 | 178.8 | 1.4 | 0 | 0 | 111.5 | P8 Q9 Q10 R15 Q16 T449 | P8-Q12 VanDerWaalsContact O-CB 3.32Å; P8-Q12 WeakPolarHBondContact O-CB 3.5Å; P8-Q12 PolarHBondContact O-N 3.14Å; Q9-Q12 PolarHBondContact O-N 3.32Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q10-Q12 PolarHBondContact O-N 2.84Å; Q12-R15 PolarHBondContact O-N 3.04Å; Q12-Q16 WeakPolarHBondContact O-CG 3.28Å; Q12-Q16 PolarHBondContact O-N 3.1Å; Q12-T449 PolarHBondContact NE2-O 3.16Å |
| 13 | Q | 68.2 | Low | 60.9 | Low | 124 Ų | 124 | 116.6 Ų | 116.6 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.5 | -45.4 | 172.3 | -79.2 | -169.4 | -5.4 | 0 | 0 | 112.4 | Q9 Q10 R15 Q16 Q17 | Q9-Q13 PolarHBondContact O-N 3.27Å; Q10-Q13 PolarHBondContact O-N 2.96Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 3.28Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.41Å |
| 14 | Q | 72 | Confident | 61.2 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 60% | 0.598 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -36.2 | 174.4 | -75.6 | -172.5 | -5.7 | 0 | 0 | 112.2 | Q10 R18 | Q10-Q14 PolarHBondContact O-N 2.8Å; Q14-R18 WeakPolarHBondContact O-CB 3.23Å; Q14-R18 PolarHBondContact O-N 3.31Å |
| 15 | R | 68.2 | Low | 61.5 | Low | 180 Ų | 180 | 112.2 Ų | 112.2 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.3 | -46.2 | 170.8 | -97.5 | -174 | 162.7 | -167.2 | -5.9 | 112 | Q11 Q12 Q13 Q17 R18 T19 | Q11-R15 WeakPolarHBondContact O-CB 3.38Å; Q11-R15 PolarHBondContact O-N 3.22Å; Q12-R15 PolarHBondContact O-N 3.04Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 3.28Å; R15-Q17 PolarHBondContact O-N 2.7Å; R15-R18 PolarHBondContact O-N 3.21Å; R15-T19 PolarHBondContact O-N 3.44Å; R15-T19 PolarHBondContact O-OG1 3.16Å |
| 16 | Q | 69.3 | Low | 61.4 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -35.9 | 178.2 | -72.8 | -177 | 19.5 | 0 | 0 | 113 | Q12 Q13 T19 G20 | Q12-Q16 WeakPolarHBondContact O-CG 3.28Å; Q12-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-OG1 2.76Å; Q16-G20 PolarHBondContact O-N 3.11Å |
| 17 | Q | 68.6 | Low | 61.5 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.8 | -43.2 | 173.5 | -70.1 | 177.8 | 6.7 | 0 | 0 | 111.6 | Q13 R15 G20 Q21 | Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.41Å; R15-Q17 PolarHBondContact O-N 2.7Å; Q17-G20 PolarHBondContact O-N 2.57Å; Q17-Q21 WeakPolarHBondContact O-CG 2.97Å; Q17-Q21 PolarHBondContact O-N 2.9Å |
| 18 | R | 63.7 | Low | 61.3 | Low | 199 Ų | 199 | 118.3 Ų | 118.3 | 75% | 0.751 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.3 | -36.1 | 175.7 | -80.7 | -175.2 | 164.7 | -167.3 | -4.9 | 113.3 | Q14 R15 K22 | Q14-R18 WeakPolarHBondContact O-CB 3.23Å; Q14-R18 PolarHBondContact O-N 3.31Å; R15-R18 PolarHBondContact O-N 3.21Å; R18-K22 WeakPolarHBondContact O-CB 3.5Å; R18-K22 PolarHBondContact O-N 3.06Å |
| 19 | T | 66.2 | Low | 60.8 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.6 | -38.7 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | R15 Q16 Q21 K22 L23 | R15-T19 PolarHBondContact O-N 3.44Å; R15-T19 PolarHBondContact O-OG1 3.16Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-OG1 2.76Å; T19-Q21 PolarHBondContact O-N 2.85Å; T19-K22 PolarHBondContact O-N 3.36Å; T19-L23 VanDerWaalsContact O-CD1 3.28Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.49Å |
| 20 | G | 61.8 | Low | 60.4 | Low | 41 Ų | 41 | 123 Ų | 123 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.7 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q16 Q17 L23 S24 | Q16-G20 PolarHBondContact O-N 3.11Å; Q17-G20 PolarHBondContact O-N 2.57Å; G20-L23 PolarHBondContact O-N 2.88Å; G20-S24 WeakPolarHBondContact O-CB 3.39Å; G20-S24 PolarHBondContact O-N 3.12Å |
| 21 | Q | 56.4 | Low | 59.4 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 174.2 | -74.3 | -177.7 | -13.2 | 0 | 0 | 112.6 | Q17 T19 S24 T25 | Q17-Q21 WeakPolarHBondContact O-CG 2.97Å; Q17-Q21 PolarHBondContact O-N 2.9Å; T19-Q21 PolarHBondContact O-N 2.85Å; Q21-S24 PolarHBondContact O-N 3.46Å; Q21-T25 PolarHBondContact O-N 2.59Å; Q21-T25 PolarHBondContact O-OG1 3.19Å |
| 22 | K | 57.3 | Low | 58.3 | Low | 158 Ų | 158 | 125.7 Ų | 125.7 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.1 | -30.6 | 176.4 | -79.3 | -164.2 | 172.6 | -165.4 | 0 | 114.2 | R18 T19 T25 R26 | R18-K22 WeakPolarHBondContact O-CB 3.5Å; R18-K22 PolarHBondContact O-N 3.06Å; T19-K22 PolarHBondContact O-N 3.36Å; K22-T25 PolarHBondContact O-OG1 3.46Å; K22-R26 WeakPolarHBondContact O-CB 3.34Å; K22-R26 PolarHBondContact O-N 3.38Å |
| 23 | L | 55.2 | Low | 56.9 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -38.1 | 169.2 | -91.5 | 90.5 | 0 | 0 | 0 | 111.3 | T19 G20 T25 R26 Q27 | T19-L23 VanDerWaalsContact O-CD1 3.28Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.49Å; G20-L23 PolarHBondContact O-N 2.88Å; L23-T25 PolarHBondContact O-N 3.39Å; L23-R26 PolarHBondContact O-N 3.43Å; L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 PolarHBondContact O-N 3.33Å |
| 24 | S | 53.3 | Low | 55.5 | Low | 64 Ų | 64 | 133 Ų | 133 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | G20 Q21 Q27 L28 | G20-S24 WeakPolarHBondContact O-CB 3.39Å; G20-S24 PolarHBondContact O-N 3.12Å; Q21-S24 PolarHBondContact O-N 3.46Å; S24-Q27 PolarHBondContact O-N 3.33Å; S24-L28 WeakPolarHBondContact O-CB 3.15Å; S24-L28 WeakPolarHBondContact O-CG 3.13Å; S24-L28 PolarHBondContact O-N 3.42Å |
| 25 | T | 56.1 | Low | 53.6 | Low | 80 Ų | 80 | 134.5 Ų | 134.5 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.4 | -36.5 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 113 | Q21 K22 L23 Q27 L28 N29 | Q21-T25 PolarHBondContact O-N 2.59Å; Q21-T25 PolarHBondContact O-OG1 3.19Å; K22-T25 PolarHBondContact O-OG1 3.46Å; L23-T25 PolarHBondContact O-N 3.39Å; T25-Q27 VanDerWaalsContact C-N 3.33Å; T25-Q27 PolarHBondContact O-N 3.43Å; T25-L28 PolarHBondContact O-N 3.29Å; T25-N29 PolarHBondContact O-N 3.03Å |
| 26 | R | 49.8 | Very low | 51.9 | Low | 208 Ų | 208 | 131.2 Ų | 131.2 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -25.7 | 172.2 | -83.7 | -170.7 | 165.4 | -167.8 | -5.2 | 114 | K22 L23 K30 | K22-R26 WeakPolarHBondContact O-CB 3.34Å; K22-R26 PolarHBondContact O-N 3.38Å; L23-R26 PolarHBondContact O-N 3.43Å; R26-K30 PolarHBondContact O-N 3Å |
| 27 | Q | 51.8 | Low | 50.3 | Low | 129 Ų | 129 | 133.9 Ų | 133.9 | 60% | 0.603 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.5 | -37.9 | 170.3 | -85 | -79.5 | -14.6 | 0 | 0 | 112 | L23 S24 T25 N31 | L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 PolarHBondContact O-N 3.33Å; S24-Q27 PolarHBondContact O-N 3.33Å; T25-Q27 VanDerWaalsContact C-N 3.33Å; T25-Q27 PolarHBondContact O-N 3.43Å; Q27-N31 PolarHBondContact O-ND2 3.14Å |
| 28 | L | 48.9 | Very low | 48.8 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.9 | -47.8 | 176.5 | -80.7 | 160.2 | 0 | 0 | 0 | 112.1 | S24 T25 K30 N31 | S24-L28 WeakPolarHBondContact O-CB 3.15Å; S24-L28 WeakPolarHBondContact O-CG 3.13Å; S24-L28 PolarHBondContact O-N 3.42Å; T25-L28 PolarHBondContact O-N 3.29Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.41Å; L28-N31 PolarHBondContact O-N 2.79Å |
| 29 | N | 46.8 | Very low | 47.3 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.5 | -23.8 | 178.8 | -82 | 50.5 | 0 | 0 | 0 | 113.9 | T25 N31 | T25-N29 PolarHBondContact O-N 3.03Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 2.73Å |
| 30 | K | 48.3 | Very low | 45.9 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -7.6 | 172.8 | -81.2 | -157.4 | 169.1 | -157.4 | 0 | 114.4 | R26 L28 | R26-K30 PolarHBondContact O-N 3Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.41Å |
| 31 | N | 44.6 | Very low | 44.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 21.6 | 177.1 | -69.8 | -66.8 | 0 | 0 | 0 | 112.8 | Q27 L28 N29 | Q27-N31 PolarHBondContact O-ND2 3.14Å; L28-N31 PolarHBondContact O-N 2.79Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 2.73Å |
| 32 | Q | 47.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -124.7 | -1.3 | 177 | -71.4 | -164.3 | -46 | 0 | 0 | 115.4 | | |
| 33 | H | 40.4 | Very low | 42.3 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -102.8 | 29.1 | 177.3 | -92.7 | -88.3 | 0 | 0 | 0 | 113.9 | | |
| 34 | H | 38.1 | Very low | 41.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -154.5 | 67.4 | 178.7 | -168.3 | -74.6 | 0 | 0 | 0 | 112.2 | | |
| 35 | L | 32.4 | Very low | 40.3 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | | | trans | -169 | 63.9 | 152.2 | -129.4 | 73.5 | 0 | 0 | 0 | 114.6 | | |
| 36 | S | 33.8 | Very low | 39.3 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -164.5 | 138.7 | 159.8 | 53.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 37 | I | 34.9 | Very low | 38.6 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | | | cis | -120.4 | 163 | 20.9 | -69.1 | 165.9 | 0 | 0 | 0 | 111 | | |
| 38 | I | 38 | Very low | 37.8 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -122 | 137 | 178.3 | -73.2 | 175.9 | 0 | 0 | 0 | 109.7 | | |
| 39 | D | 31.3 | Very low | 36.9 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 49.2 | 125.1 | 164.3 | -55 | -19 | 0 | 0 | 0 | 120.5 | | |
| 40 | T | 36.6 | Very low | 36.3 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | | | | -171.4 | 141.3 | 92.7 | 21 | 0 | 0 | 0 | 0 | 115.3 | | |
| 41 | N | 31.3 | Very low | 35.4 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -50.7 | 152 | 176.1 | -60.9 | -55.9 | 0 | 0 | 0 | 116.3 | | |
| 42 | S | 35.5 | Very low | 34.9 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | | 164.4 | 133.8 | 92.4 | -100.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 43 | N | 32.8 | Very low | 34.2 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 148.7 | 144.9 | -62.4 | -5.8 | 0 | 0 | 0 | 119.5 | | |
| 44 | S | 34.1 | Very low | 34.1 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | cis | -169.1 | 152.6 | -12.1 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 45 | S | 33.6 | Very low | 33.8 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | 62.9 | 127.9 | 144 | 61.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 46 | S | 34 | Very low | 34 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | 72.1 | 146.3 | 142.5 | 67.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 47 | S | 35.7 | Very low | 34.2 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | cis | -173.6 | 154.8 | -16.8 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 48 | N | 35.7 | Very low | 34.2 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | 70.9 | 127.5 | 153.7 | -58.2 | -17 | 0 | 0 | 0 | 119.7 | | |
| 49 | N | 30.1 | Very low | 34 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -46.5 | 159.5 | 163.4 | -48.2 | -13.1 | 0 | 0 | 0 | 114.4 | | |
| 50 | T | 32.9 | Very low | 34.1 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 140.2 | 85.6 | 128.6 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 51 | T | 30.3 | Very low | 33.9 | Very low | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | | 68.1 | 162.5 | 129.6 | -36.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 52 | I | 33.4 | Very low | 33.9 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 93.7 | 73.4 | 161.8 | -46.8 | -177.5 | 0 | 0 | 0 | 117.8 | | |
| 53 | S | 34.3 | Very low | 33.8 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | | 78.6 | 147.6 | 117 | 80 | 0 | 0 | 0 | 0 | 124.2 | | |
| 54 | N | 36.7 | Very low | 33.9 | Very low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | 82.8 | 94.8 | 142.1 | -62.6 | -17.4 | 0 | 0 | 0 | 121.9 | | |
| 55 | N | 33.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | | 44.5 | 150.9 | 118.1 | -64.6 | 9.7 | 0 | 0 | 0 | 123.6 | | |
| 56 | T | 35.3 | Very low | 33.9 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 93% | 0.933 | 76% | 0.759 | S | S | * | * | | | trans | 95.5 | 131.3 | 157.3 | 72.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 57 | G | 38.6 | Very low | 33.8 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | 161 | 88 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 58 | T | 34.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | | | trans | -116 | 167.3 | -178.3 | 52.9 | 0 | 0 | 0 | 0 | 112 | | |
| 59 | S | 33.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 79.5 | 155.3 | 170.5 | -44.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 60 | A | 33.4 | Very low | 33.8 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | cis | -176.5 | 176.5 | -26.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 61 | E | 33.3 | Very low | 33.6 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | 65.6 | 160.8 | 154.3 | -76.6 | 178 | 174.7 | 0 | 0 | 118 | | |
| 62 | M | 31.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -164.6 | 153.9 | -39.6 | -125.1 | -172.8 | -165.2 | 0 | 0 | 108.9 | | |
| 63 | S | 32 | Very low | 33.6 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | 59.6 | 126.9 | 146.3 | -55.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 64 | S | 35.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | | 140.1 | 114.1 | 108.7 | 66.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 65 | N | 33.9 | Very low | 33.1 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | | 74.9 | 115.6 | 120.3 | -62.6 | -4.3 | 0 | 0 | 0 | 123.7 | | |
| 66 | L | 33.3 | Very low | 33 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | | 90.9 | 122.9 | 123.6 | -94.7 | 66.6 | 0 | 0 | 0 | 122.5 | | |
| 67 | C | 31.8 | Very low | 32.8 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | | 104.8 | 112.4 | 124.4 | -80 | 0 | 0 | 0 | 0 | 123.4 | | |
| 68 | T | 36 | Very low | 32.4 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | | 75.7 | 85.1 | 129.1 | 58.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 69 | N | 31 | Very low | 32.2 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 12.7 | 123.5 | 116.1 | -176.4 | -2 | 0 | 0 | 0 | 118.8 | | |
| 70 | S | 34.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | -172.3 | 113.3 | 136.2 | -87.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 71 | N | 30.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 1.6 | 135.2 | 146.3 | -77.9 | -71.8 | 0 | 0 | 0 | 120.8 | | |
| 72 | R | 32.3 | Very low | 32.4 | Very low | 237 Ų | 237 | 138.3 Ų | 138.3 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | | | | -174.4 | 130.5 | 119.7 | -103.8 | 163.5 | -162.7 | -163.6 | 5.6 | 117.2 | | |
| 73 | F | 30.6 | Very low | 32.5 | Very low | 178 Ų | 178 | 136 Ų | 136 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -0.4 | 131.7 | 139.3 | -71.6 | -105.7 | 0 | 0 | 0 | 118.6 | | |
| 74 | N | 32.3 | Very low | 32.5 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | | -174.5 | 152.2 | 93.7 | -101.9 | -61.6 | 0 | 0 | 0 | 116.2 | | |
| 75 | N | 27.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -72.1 | 130.4 | 162 | -93.5 | -56.1 | 0 | 0 | 0 | 111 | | |
| 76 | S | 31.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -164.8 | 113.5 | 153.3 | -88.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 77 | I | 30.4 | Very low | 32.5 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | | | | 87.8 | 121.3 | 78.3 | -77.4 | 169.2 | 0 | 0 | 0 | 112.8 | | |
| 78 | N | 30.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | 76.6 | 133.3 | 155.4 | -77.4 | -17 | 0 | 0 | 0 | 122.8 | | |
| 79 | N | 30.4 | Very low | 32.5 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | trans | 60.8 | 120.5 | 137.6 | -57.7 | -25.1 | 0 | 0 | 0 | 119.6 | | |
| 80 | G | 34.5 | Very low | 32.7 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | | | cis | 125.4 | -174.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 81 | S | 34.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | trans | 70.2 | 150 | -179.6 | -64.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 82 | R | 35.9 | Very low | 32.9 | Very low | 219 Ų | 219 | 129.2 Ų | 129.2 | 83% | 0.826 | 67% | 0.67 | S | S | * | * | | | cis | -166.7 | 139.1 | -13.4 | -113.5 | 168.8 | 175.4 | 173.5 | -1.2 | 109.5 | | |
| 83 | S | 33.7 | Very low | 33.1 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | | | trans | 60.4 | 154.1 | 134.5 | -62.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 84 | S | 33.1 | Very low | 33.2 | Very low | 85 Ų | 85 | 119.7 Ų | 119.7 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | | | cis | -179.4 | 174.6 | -18.7 | 60.6 | 0 | 0 | 0 | 0 | 110 | | |
| 85 | K | 37.2 | Very low | 33.2 | Very low | 186 Ų | 186 | 118.1 Ų | 118.1 | 81% | 0.809 | 64% | 0.639 | S | S | * | * | | | trans | 75 | 147.5 | 148.3 | -79 | 172.1 | -174.6 | 175.4 | 0 | 117.8 | | |
| 86 | L | 33.1 | Very low | 33.3 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | | | cis | -166.4 | 143.6 | -9.7 | -173.5 | 60.1 | 0 | 0 | 0 | 112.2 | | |
| 87 | N | 31.4 | Very low | 33.3 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 47% | 0.465 | 65% | 0.646 | S | S | . | * | | | trans | 55.3 | -173.5 | 155 | -72.8 | 1 | 0 | 0 | 0 | 119.1 | K1386 | N87-K1386 PolarHBondContact O-NZ 3.41Š|
| 88 | Q | 34.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | | | cis | -133.3 | 154.4 | -48.8 | -110.2 | 161.8 | -22 | 0 | 0 | 108.4 | | |
| 89 | Q | 34 | Very low | 33.5 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 59% | 0.593 | 64% | 0.639 | S | S | * | * | | | | 62.1 | 136.5 | 103.1 | -132.6 | 170.5 | -32 | 0 | 0 | 113.9 | | |
| 90 | Q | 35.9 | Very low | 33.5 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 38% | 0.383 | 63% | 0.632 | S | S | . | * | | | cis | -150 | -170.1 | 16.5 | -156.6 | 145.2 | -14.9 | 0 | 0 | 113.1 | Y1381 K1385 | Q90-Y1381 PolarHBondContact NE2-OH 2.86Å; Q90-K1385 WeakPolarHBondContact O-CD 3.32Å; Q90-K1385 PolarHBondContact O-NZ 2.88Å |
| 91 | Q | 34.4 | Very low | 33.2 | Very low | 60 Ų | 60 | 125.2 Ų | 125.2 | 28% | 0.28 | 64% | 0.635 | S | S | . | * | | | trans | -25.9 | 172.4 | 166.6 | -68.9 | 158.7 | -8.2 | 0 | 0 | 119.3 | Y1381 | Q91-Y1381 VanDerWaalsContact NE2-CE1 3.26Å; Q91-Y1381 PolarHBondContact NE2-OH 2.85Å |
| 92 | Q | 34.5 | Very low | 33 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 35% | 0.35 | 62% | 0.624 | S | S | . | * | | | cis | -166.4 | 170.5 | -7.4 | -119.6 | 172 | 34 | 0 | 0 | 112.8 | S1379 Y1381 | Q92-S1379 PolarHBondContact OE1-OG 2.94Å; Q92-Y1381 PolarHBondContact NE2-O 3.25Å |
| 93 | Q | 35.4 | Very low | 32.7 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 41% | 0.411 | 62% | 0.624 | S | S | . | * | | | trans | 81.2 | 123.6 | 144.1 | -82.9 | 173.4 | 90.3 | 0 | 0 | 124.1 | S1379 | Q93-S1379 VanDerWaalsContact CD-CB 3.45Å; Q93-S1379 PolarHBondContact NE2-OG 2.9Å |
| 94 | N | 32.6 | Very low | 32.7 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 68% | 0.684 | 62% | 0.619 | S | S | * | * | | | trans | 71.9 | 100.1 | 132.8 | -66.2 | 21.1 | 0 | 0 | 0 | 122.8 | | |
| 95 | T | 32 | Very low | 32.7 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 62% | 0.624 | S | S | * | * | | | | 34.4 | 113.2 | 106 | -28.2 | 0 | 0 | 0 | 0 | 118 | | |
| 96 | Q | 30 | Very low | 32.7 | Very low | 186 Ų | 186 | 120.2 Ų | 120.2 | 87% | 0.869 | 62% | 0.619 | S | S | * | * | | | | -164.6 | 138.4 | 97 | -100.1 | 175.5 | 8.9 | 0 | 0 | 113.5 | | |
| 97 | R | 31.4 | Very low | 32.8 | Very low | 222 Ų | 222 | 120.5 Ų | 120.5 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | | | trans | -71.4 | 173.8 | 158.3 | -115.8 | -176.4 | 173.3 | -128.1 | 5.9 | 109 | | |
| 98 | P | 37.2 | Very low | 32.7 | Very low | 94 Ų | 94 | 122 Ų | 122 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | | | cis | -124.1 | -132 | -7.4 | 25.4 | 1.6 | 0 | 0 | 0 | 108.1 | | |
| 99 | D | 28.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | | | cis | -165.4 | -178.7 | -4.9 | -140.6 | -33.9 | 0 | 0 | 0 | 111.1 | | |
| 100 | I | 31.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 64% | 0.641 | 64% | 0.64 | S | S | * | * | | | trans | 68.2 | 104.6 | 148.6 | -70.4 | 161.5 | 0 | 0 | 0 | 117.8 | | |
| 101 | N | 28.1 | Very low | 32 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | | | trans | 67 | 165.9 | 133.8 | -67.5 | 15.1 | 0 | 0 | 0 | 119.8 | | |
| 102 | S | 28.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 53% | 0.531 | 67% | 0.671 | S | S | . | * | | | cis | -178.4 | 164.5 | -29.6 | 61.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | L | 29.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 82% | 0.817 | 69% | 0.693 | S | S | * | * | | | trans | 64.1 | 165 | 164 | -87.1 | 46 | 0 | 0 | 0 | 115.6 | | |
| 104 | V | 34.2 | Very low | 31.1 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | | | cis | -159.4 | -144.8 | -48.1 | 74 | 0 | 0 | 0 | 0 | 104.9 | | |
| 105 | D | 33.6 | Very low | 31 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | trans | 70.5 | 142.4 | 163 | -52.2 | -44.1 | 0 | 0 | 0 | 117 | | |
| 106 | D | 35.7 | Very low | 30.9 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | cis | -162.7 | -164.6 | -32.3 | -144.2 | -11.9 | 0 | 0 | 0 | 108.6 | | |
| 107 | D | 35.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | 76.3 | 145.3 | 157.6 | -71.2 | -40.3 | 0 | 0 | 0 | 118.1 | | |
| 108 | N | 30.1 | Very low | 31 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | | | cis | 159.7 | 176 | -24.8 | -107.3 | -49 | 0 | 0 | 0 | 105.4 | | |
| 109 | T | 30.2 | Very low | 30.8 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | | | trans | 71.3 | 144.2 | 169.4 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 110 | T | 29.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | | | cis | -166.7 | 159.9 | -23.2 | 24.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 111 | D | 28.2 | Very low | 31 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | | | trans | 66.2 | 161.5 | 150.4 | -79.5 | -46.9 | 0 | 0 | 0 | 117.7 | | |
| 112 | S | 28.3 | Very low | 31.2 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 56% | 0.559 | 69% | 0.689 | S | S | * | * | | | cis | -160.4 | 162.9 | -29.2 | -121.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 113 | I | 27.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 121.4 Ų | 121.4 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | | | trans | 42 | 123.9 | 142.6 | -56.1 | 159.8 | 0 | 0 | 0 | 119.1 | | |
| 114 | G | 29.3 | Very low | 31.3 | Very low | 69 Ų | 69 | 118 Ų | 118 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | | | trans | 143.2 | 69.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 115 | S | 30.9 | Very low | 31.1 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | | | | 67.9 | 138.8 | 63.4 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 116 | N | 31.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | | | trans | 77.9 | 142.8 | 164.7 | -50.5 | -39.6 | 0 | 0 | 0 | 116.5 | | |
| 117 | N | 29.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | | | cis | -166.6 | 171.1 | -15.4 | -113.8 | -25.5 | 0 | 0 | 0 | 110.7 | | |
| 118 | S | 32.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | | | trans | 65.8 | 151.9 | 150.5 | 46.9 | 0 | 0 | 0 | 0 | 118 | | |
| 119 | S | 33.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | cis | -149.8 | 124.1 | -2.8 | -115.8 | 0 | 0 | 0 | 0 | 109 | | |
| 120 | I | 31.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | | | | 84.3 | 97.7 | 92.1 | -79 | -179.7 | 0 | 0 | 0 | 113.7 | | |
| 121 | K | 32.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | | | trans | 69.7 | 169.7 | 132.5 | -53.9 | 178.2 | -150.3 | 157.9 | 0 | 116.3 | | |
| 122 | H | 33.3 | Very low | 29.5 | Very low | 139 Ų | 139 | 119.3 Ų | 119.3 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | | | cis | -135.4 | 130.5 | 14.3 | -103.9 | -79.2 | 0 | 0 | 0 | 109.8 | | |
| 123 | T | 31.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | | | | 51.2 | 140.9 | 98.7 | 72.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 124 | S | 28.9 | Very low | 29.4 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | | | cis | -170.7 | 179.3 | 17.8 | 25.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 125 | W | 30.6 | Very low | 29.4 | Very low | 235 Ų | 235 | 121.1 Ų | 121.1 | 89% | 0.89 | 68% | 0.683 | S | S | * | * | | | cis | -126.8 | 153.3 | 19.3 | -65.6 | -61.8 | 0 | 0 | 0 | 110.2 | | |
| 126 | S | 28 | Very low | 29.4 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | | | cis | 69 | 151 | 43.9 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 127 | P | 30.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | | | cis | -124 | 157.6 | 10.3 | 46.9 | -33.1 | 0 | 0 | 0 | 113.3 | | |
| 128 | S | 24.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | | | | 64.3 | 148 | 91.5 | 99.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 129 | E | 25.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | | | trans | 65 | 155.6 | 156.6 | -71.5 | 152.5 | -111 | 0 | 0 | 118.4 | | |
| 130 | S | 26.5 | Very low | 29.2 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 67% | 0.673 | S | S | * | * | | | cis | -159.7 | -173.1 | -28.8 | 66.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 131 | S | 26.1 | Very low | 29 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | | | trans | 38.2 | 115.1 | 142.9 | -42.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 132 | N | 26.1 | Very low | 28.7 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | | | trans | 72.2 | 158.5 | 149.1 | -49 | -28.2 | 0 | 0 | 0 | 115.7 | | |
| 133 | N | 25.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | | | cis | -142.5 | 153.5 | -6.1 | -133.6 | -1 | 0 | 0 | 0 | 113.2 | | |
| 134 | T | 28.5 | Very low | 28.2 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 56% | 0.558 | 70% | 0.701 | S | S | * | * | | | trans | -19.8 | 138.1 | 147.7 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 135 | N | 29.1 | Very low | 28.1 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | | | | 168.5 | 157.9 | 95.6 | -80.9 | -46.5 | 0 | 0 | 0 | 106.9 | | |
| 136 | N | 31.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | | | cis | -168.5 | 164.8 | -12.3 | -103.5 | -15.4 | 0 | 0 | 0 | 106.6 | | |
| 137 | N | 34.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 121 Ų | 121 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | | | cis | -140.9 | 146.5 | 4.1 | -107.6 | -37.7 | 0 | 0 | 0 | 106.9 | | |
| 138 | N | 30.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 60% | 0.604 | 70% | 0.702 | S | S | * | * | | | | 46.6 | 133.6 | 86.3 | -62.2 | -57.2 | 0 | 0 | 0 | 113.8 | | |
| 139 | S | 29.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | cis | -144.4 | 153.8 | 30.9 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | N | 27.2 | Very low | 28.3 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | | | | 44.3 | 139.1 | 77.4 | -45 | -59.9 | 0 | 0 | 0 | 114 | | |
| 141 | S | 27.6 | Very low | 28.5 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | | | cis | -152.5 | 164.6 | 13.1 | 66.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 142 | R | 25.7 | Very low | 28.6 | Very low | 244 Ų | 244 | 127.7 Ų | 127.7 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | | | trans | -8.2 | 137.9 | 134.3 | -58.3 | 163.8 | 169.8 | 158.1 | -5.8 | 116.1 | | |
| 143 | G | 29.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | | | trans | 166.4 | 86.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 144 | N | 24.6 | Very low | 28.8 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | | | | 54.5 | 142.8 | 77.5 | -88.1 | 1 | 0 | 0 | 0 | 115.4 | | |
| 145 | S | 27.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | | | trans | 76.1 | 131.1 | -178.1 | -21.5 | 0 | 0 | 0 | 0 | 112 | | |
| 146 | S | 25.8 | Very low | 28.8 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | | | cis | 58.3 | 118.4 | 46 | -154.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 147 | L | 27.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 127 Ų | 127 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | | | | -133.7 | 163.4 | 50.4 | -103.2 | 84.9 | 0 | 0 | 0 | 110.2 | | |
| 148 | K | 28.1 | Very low | 28.6 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | | | | 46.4 | 131.1 | 80.4 | -88.2 | -177.7 | -176.3 | -179.9 | 0 | 111.7 | | |
| 149 | D | 31.4 | Very low | 28.6 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 54% | 0.54 | 73% | 0.731 | S | S | . | * | | | cis | -153.5 | 160.2 | 30.8 | -96.4 | -48.8 | 0 | 0 | 0 | 114.2 | | |
| 150 | Q | 29.8 | Very low | 28.6 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | | | trans | 33.7 | 128.1 | 133.9 | -48.7 | 156.5 | 30.2 | 0 | 0 | 118.1 | | |
| 151 | N | 30.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | | | | -160.9 | 148.2 | 64.8 | -91.1 | -77.2 | 0 | 0 | 0 | 110.7 | | |
| 152 | H | 28.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | | | | 49 | 124.3 | 83.9 | -88.5 | -112.4 | 0 | 0 | 0 | 111.8 | | |
| 153 | I | 28.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | | | cis | -153.7 | 131.9 | 29 | -101.3 | 142.9 | 0 | 0 | 0 | 107.7 | I155 | I153-I155 HydrophobicContact CG2-CD1 4.28Š|
| 154 | S | 27.4 | Very low | 28.4 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | | | | 74.9 | 159.6 | 68.8 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 155 | I | 29.9 | Very low | 28.4 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | | | trans | 81.8 | 100.9 | 167.3 | -55.1 | 162.9 | 0 | 0 | 0 | 113.5 | I153 | I153-I155 HydrophobicContact CG2-CD1 4.28Š|
| 156 | N | 27.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 85% | 0.845 | 69% | 0.688 | S | S | * | * | | | | 87.4 | 150.5 | 70.5 | -63.4 | -14.5 | 0 | 0 | 0 | 113.5 | | |
| 157 | G | 34.1 | Very low | 28.4 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | | | trans | 105.7 | 100.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 158 | D | 28 | Very low | 28.3 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | | | cis | 61.6 | 75.1 | 23.9 | -93.7 | -27.3 | 0 | 0 | 0 | 114 | | |
| 159 | L | 31.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | | | trans | -166.1 | 101.7 | 145.3 | -124 | 59.4 | 0 | 0 | 0 | 106.3 | | |
| 160 | Q | 27.8 | Very low | 27.8 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | | | | 73.8 | 135.3 | 78.8 | -76.5 | -169.3 | 15.4 | 0 | 0 | 115.4 | | |
| 161 | Q | 27.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | | | trans | 73 | 142.6 | 151.6 | -67 | 175.7 | 46.6 | 0 | 0 | 116.2 | | |
| 162 | Q | 26.8 | Very low | 27.5 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | | | cis | 65.1 | 135.1 | 46.8 | -178.9 | -170.7 | 93.3 | 0 | 0 | 109.8 | | |
| 163 | Q | 27.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 64% | 0.64 | 72% | 0.718 | S | S | * | * | | | cis | -105.1 | 154.9 | 5.8 | -100.4 | 97.4 | 8.7 | 0 | 0 | 111.6 | | |
| 164 | Q | 24.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 48% | 0.481 | 72% | 0.723 | S | S | . | * | | | | 58 | 128.7 | 66 | -55.4 | 177.1 | -9.7 | 0 | 0 | 115.7 | | |
| 165 | Q | 25.6 | Very low | 27.5 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | 60.1 | 104.9 | 143.3 | -62.3 | 173.5 | 56.2 | 0 | 0 | 119.4 | | |
| 166 | G | 26.4 | Very low | 27.5 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | -178.9 | 66.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | C168 | G166-C168 PolarHBondContact O-N 3.32Š|
| 167 | I | 26.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 80% | 0.795 | 72% | 0.721 | S | S | * | * | | | | 46 | 67.5 | 87.5 | -46.8 | -177.8 | 0 | 0 | 0 | 111.6 | | |
| 168 | C | 24.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -152.3 | 137 | 151 | -105 | 0 | 0 | 0 | 0 | 106 | G166 | G166-C168 PolarHBondContact O-N 3.32Š|
| 169 | S | 24.8 | Very low | 27.8 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | cis | 148.2 | 97.6 | 4.9 | -98.4 | 0 | 0 | 0 | 0 | 104.4 | | |
| 170 | S | 24.4 | Very low | 27.7 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | | | trans | 48.6 | 94.8 | 140.2 | -49.7 | 0 | 0 | 0 | 0 | 120 | | |
| 171 | K | 26.5 | Very low | 27.8 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | | | trans | -165.9 | 137 | 130.3 | -88.4 | 132.6 | -170.8 | 178.9 | 0 | 107.9 | | |
| 172 | N | 28.8 | Very low | 27.8 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | | | cis | 72.6 | 53.9 | 10.4 | -151.7 | 82.4 | 0 | 0 | 0 | 116.9 | | |
| 173 | E | 27.1 | Very low | 28 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | | | trans | -152.4 | 125.9 | 150.7 | -94.3 | 130.9 | -170.8 | 0 | 0 | 104.2 | | |
| 174 | T | 29.2 | Very low | 28 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | | | | 74.5 | 145.4 | 56.4 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 175 | L | 27.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | trans | 81.7 | 109 | -161.5 | -50.8 | 173.1 | 0 | 0 | 0 | 111.6 | | |
| 176 | N | 29.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | cis | 68.7 | 147.1 | 14.5 | -140.4 | 23.3 | 0 | 0 | 0 | 113.5 | | |
| 177 | P | 43.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 62% | 0.617 | 74% | 0.738 | S | S | * | * | | | | -112.8 | -144.5 | -84.1 | 37.7 | -24.3 | 0 | 0 | 0 | 110.2 | | |
| 178 | L | 26 | Very low | 28.5 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | trans | 77 | 149.6 | 175 | -56.9 | 139.3 | 0 | 0 | 0 | 114.3 | | |
| 179 | S | 26.7 | Very low | 28.8 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | | | cis | -163.4 | -159.5 | -15.1 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 180 | D | 29.3 | Very low | 29 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | | | trans | 77.8 | 128.5 | 159.8 | -58.2 | 11.9 | 0 | 0 | 0 | 117.3 | | |
| 181 | M | 30.9 | Very low | 29.4 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | | | cis | -140.4 | 139.5 | -23.5 | -79.2 | -60.8 | 178.7 | 0 | 0 | 105.7 | | |
| 182 | N | 27.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | | | cis | 73.5 | 90.6 | 48.2 | -163.8 | 25.2 | 0 | 0 | 0 | 114.6 | | |
| 183 | S | 32.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | | | trans | -150.3 | 88.5 | 155.1 | -72.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 184 | Q | 27.7 | Very low | 29.9 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | | | | 72.6 | 106.4 | 96.8 | -74.3 | -175.1 | -0.8 | 0 | 0 | 111.7 | | |
| 185 | C | 25 | Very low | 29.9 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | | | | 84.7 | 137.7 | 89.6 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 186 | S | 32.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | | | cis | -138.9 | 147.5 | 8.8 | -43.6 | 0 | 0 | 0 | 0 | 108 | | |
| 187 | I | 28.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 124 Ų | 124 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | | | | 45.8 | 104.6 | 60.9 | -50.1 | -176.9 | 0 | 0 | 0 | 113.5 | | |
| 188 | I | 28.2 | Very low | 29.1 | Very low | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | | | trans | 164.4 | 139.7 | 146.9 | -91.7 | 155.8 | 0 | 0 | 0 | 107.9 | | |
| 189 | E | 30.2 | Very low | 29.2 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 54% | 0.537 | 68% | 0.682 | S | S | . | * | | | cis | -175.3 | 136.7 | -14.6 | -176.6 | 157 | -162.9 | 0 | 0 | 112.1 | Q300 | E189-Q300 PolarHBondContact O-NE2 3.01Š|
| 190 | Q | 29.9 | Very low | 29.2 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 42% | 0.421 | 69% | 0.686 | S | S | . | * | | | trans | 60.2 | 154.7 | 159.3 | -73 | 179.2 | 72.8 | 0 | 0 | 118.7 | Q300 Q301 | Q190-Q300 VanDerWaalsContact O-CB 3.27Å; Q190-Q300 WeakPolarHBondContact O-CB 3.4Å; Q190-Q300 WeakPolarHBondContact O-CG 3.21Å; Q190-Q300 PolarHBondContact O-NE2 3.06Å; Q190-Q301 CarbonylContact C-O 3.58Å |
| 191 | R | 31.3 | Very low | 29.2 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | | | cis | -155.2 | 147.7 | 3 | -124.6 | 176.7 | -158 | -174.1 | 7.8 | 110.5 | Q300 Q301 | R191-Q300 CarbonylContact C-O 3.46Å; R191-Q301 CarbonylContact C-O 3.53Å; R191-Q301 WeakPolarHBondContact CA-O 3.41Å; R191-Q301 PolarHBondContact N-O 3.01Å; R191-Q301 VanDerWaalsContact N-O 3.16Å |
| 192 | S | 32 | Very low | 29.2 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 52% | 0.517 | 69% | 0.686 | S | S | . | * | | | trans | -3.4 | 151 | 142.2 | 59.9 | 0 | 0 | 0 | 0 | 119.9 | Q301 | S192-Q301 PolarHBondContact N-O 3.05Š|
| 193 | K | 32.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | | | cis | -178.1 | 168.2 | 24.7 | -125.1 | 167.2 | -169.5 | -177.2 | 0 | 112.1 | | |
| 194 | T | 30.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 69% | 0.693 | 66% | 0.66 | S | S | * | * | | | trans | 2.9 | 152.9 | 146.3 | 55.6 | 0 | 0 | 0 | 0 | 121 | | |
| 195 | S | 28.2 | Very low | 29.3 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | | | cis | 170.2 | 157.6 | -6.7 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 196 | I | 28.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 122.3 Ų | 122.3 | 86% | 0.862 | 65% | 0.649 | S | S | * | * | | | trans | 70.1 | 151.6 | 170.1 | -55.1 | 161.5 | 0 | 0 | 0 | 112.8 | | |
| 197 | S | 27.1 | Very low | 29.4 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | | | cis | -172.8 | 158.9 | -34.7 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 198 | F | 28 | Very low | 29.6 | Very low | 178 Ų | 178 | 123.1 Ų | 123.1 | 78% | 0.781 | 64% | 0.642 | S | S | * | * | | | trans | 68.8 | 132.7 | 172.9 | -73.3 | -80.5 | 0 | 0 | 0 | 119.1 | | |
| 199 | D | 27.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | | | trans | 62 | 121.6 | 137.1 | -57.8 | -5.3 | 0 | 0 | 0 | 124.7 | | |
| 200 | S | 27.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | | | | 85.4 | 122.1 | 123.1 | -69.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 201 | I | 28.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 74% | 0.744 | 65% | 0.652 | S | S | * | * | | | | 89.6 | 105.1 | 128.2 | -68.3 | 172.3 | 0 | 0 | 0 | 120.9 | | |
| 202 | Q | 30.9 | Very low | 30.1 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | | | trans | 67.9 | 172.3 | 132 | -79 | -75.4 | 26 | 0 | 0 | 124.7 | | |
| 203 | L | 29.4 | Very low | 30.2 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | | | trans | 77.5 | 136.5 | 165.2 | -61.8 | 103.5 | 0 | 0 | 0 | 117.8 | E628 | L203-E628 WeakPolarHBondContact CD2-O 3.2Å; L203-E628 WeakPolarHBondContact CG-O 3.45Å |
| 204 | T | 28.7 | Very low | 30.1 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | | | cis | -163.5 | 155.7 | -10.1 | 21.1 | 0 | 0 | 0 | 0 | 110.1 | N629 | T204-N629 WeakPolarHBondContact CG2-O 3.36Š|
| 205 | H | 31.4 | Very low | 30.4 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | | | | 144.9 | 103.2 | 123.1 | -80.2 | -58.8 | 0 | 0 | 0 | 117.9 | | |
| 206 | S | 30.5 | Very low | 30.8 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | | | | 80.8 | 105.1 | 115 | -68.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 207 | N | 29.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | | | | 138.5 | 139.1 | 88.4 | -88 | -6.4 | 0 | 0 | 0 | 116.9 | | |
| 208 | H | 32.8 | Very low | 30.8 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | | | trans | 76.1 | 144.1 | 145.7 | -72.8 | -6 | 0 | 0 | 0 | 118.9 | | |
| 209 | S | 32.9 | Very low | 30.7 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | | | cis | -170.1 | 150.6 | 0.4 | -116.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 210 | N | 31.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | | | trans | 67.1 | 157.8 | 151.3 | -70.4 | -48.3 | 0 | 0 | 0 | 116.8 | | |
| 211 | S | 33 | Very low | 30.7 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | | | cis | -161.3 | 146.2 | 5.8 | 105.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 212 | N | 31.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 65% | 0.652 | 64% | 0.641 | S | S | * | * | | | trans | 64.8 | 151.4 | 147.1 | -62 | -39.6 | 0 | 0 | 0 | 118.2 | | |
| 213 | K | 34.1 | Very low | 30.7 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | | | cis | -168.1 | 161.6 | -9 | -117.8 | -179.9 | -177.7 | 76.4 | 0 | 108.8 | | |
| 214 | N | 30.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | | | trans | 66.4 | 146.9 | 149.3 | -72.5 | 39.8 | 0 | 0 | 0 | 117.2 | | |
| 215 | D | 37.1 | Very low | 32 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | | | cis | -149.8 | 152.1 | 0.7 | -111 | -30 | 0 | 0 | 0 | 111.9 | | |
| 216 | H | 35.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | | | trans | 53.3 | 144.4 | 148.2 | -71.1 | -48.9 | 0 | 0 | 0 | 122 | | |
| 217 | C | 26.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | | | cis | -173.9 | 148.9 | -24.3 | -139 | 0 | 0 | 0 | 0 | 108.7 | | |
| 218 | S | 28.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | | | trans | 67.3 | 160.9 | 143.9 | -61.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 219 | L | 27.9 | Very low | 33.4 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | | | cis | -168 | 132.7 | -27.3 | -103.2 | 169.4 | 0 | 0 | 0 | 104.7 | | |
| 220 | T | 26.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | | | trans | 62.2 | 178.2 | 148.7 | 66.8 | 0 | 0 | 0 | 0 | 116 | | |
| 221 | S | 27.5 | Very low | 33 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | | | cis | -161.8 | 156.5 | -42.2 | 52.5 | 0 | 0 | 0 | 0 | 112 | | |
| 222 | S | 28.3 | Very low | 32.8 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | | | trans | 73.8 | 158.7 | 146.2 | 82.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 223 | K | 31.3 | Very low | 32.7 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | trans | 77.5 | 86.7 | 157.4 | -70.3 | 175 | 178.6 | 175.3 | 0 | 120 | | |
| 224 | S | 30.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | | -38.8 | 175.7 | 121.2 | 36.5 | 0 | 0 | 0 | 0 | 116 | | |
| 225 | P | 53.8 | Low | 32.4 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | | | cis | -118.4 | -159.8 | -38.4 | 34.5 | -15.7 | 0 | 0 | 0 | 109.9 | | |
| 226 | P | 42.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | | | | -153.1 | 147.3 | 99.7 | 37 | -18.2 | 0 | 0 | 0 | 118.4 | | |
| 227 | L | 33.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 112.6 Ų | 112.6 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | | | trans | 55.9 | 109.6 | 136.5 | -59.2 | 172 | 0 | 0 | 0 | 121.6 | | |
| 228 | S | 39.3 | Very low | 32 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | | | trans | -54.4 | 159.9 | 139.1 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 229 | P | 39.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | | | | -153.8 | -170 | 89.4 | 40.9 | -22.2 | 0 | 0 | 0 | 115.3 | | |
| 230 | S | 29.2 | Very low | 32.2 | Very low | 95 Ų | 95 | 112 Ų | 112 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | | | trans | 71.9 | 128.7 | 158.5 | 40 | 0 | 0 | 0 | 0 | 116.5 | | |
| 231 | N | 27 | Very low | 32.5 | Very low | 155 Ų | 155 | 113.6 Ų | 113.6 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | | | | 63.4 | 132.9 | 54.9 | -64.5 | -14.6 | 0 | 0 | 0 | 111.4 | | |
| 232 | S | 29.5 | Very low | 32.6 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | | | cis | -167.9 | -172.4 | -2 | 43.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 233 | S | 29 | Very low | 32.6 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | | | trans | 52.8 | 126.4 | 137.6 | 60.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 234 | S | 29.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 110.2 Ų | 110.2 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | | | cis | 177 | -177.6 | 4 | 42 | 0 | 0 | 0 | 0 | 107.3 | | |
| 235 | S | 29.4 | Very low | 32.3 | Very low | 98 Ų | 98 | 111.8 Ų | 111.8 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | | | trans | 55.3 | 129.8 | 135.7 | 63.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 236 | S | 29.6 | Very low | 31 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | | | cis | 174.6 | 169.5 | 1.2 | 43.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 237 | S | 29.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 115.9 Ų | 115.9 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | | | trans | 52.2 | 124.2 | 141.4 | 64.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 238 | S | 30 | Very low | 30.1 | Very low | 97 Ų | 97 | 114 Ų | 114 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | | | | -163 | 136.1 | 55.9 | -59.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 239 | S | 31 | Very low | 29.5 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | | | | 50.2 | 123.2 | 95.8 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 240 | N | 30.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 116 Ų | 116 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | | | | -169.6 | 157.6 | 65.2 | -98.2 | -58 | 0 | 0 | 0 | 113.6 | | |
| 241 | H | 32.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 115.6 Ų | 115.6 | 75% | 0.745 | 67% | 0.667 | S | S | * | * | | | trans | 57.1 | 134.8 | 144.7 | -65 | -40.2 | 0 | 0 | 0 | 119.4 | | |
| 242 | S | 29.1 | Very low | 28.8 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | | | cis | -167.6 | 163.6 | 1.4 | -115.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 243 | L | 29.1 | Very low | 28.6 | Very low | 133 Ų | 133 | 120 Ų | 120 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | | | trans | 25.4 | 126.5 | 134.7 | -48.1 | 166.9 | 0 | 0 | 0 | 116.3 | | |
| 244 | S | 28.3 | Very low | 28.6 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | | | | -165.1 | 138.1 | 50.4 | -55.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 245 | F | 27.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | | | | 40.4 | 123.1 | 128 | -63.1 | -48 | 0 | 0 | 0 | 121.6 | | |
| 246 | R | 26.7 | Very low | 28.6 | Very low | 199 Ų | 199 | 120.3 Ų | 120.3 | 75% | 0.751 | 64% | 0.643 | S | S | * | * | | | | 72.9 | 153.8 | 124.4 | -62.8 | 176.9 | -178.9 | 162.5 | -1.5 | 116.8 | | |
| 247 | N | 28.2 | Very low | 28.8 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | | | cis | -138.9 | 153.7 | -12.4 | -116.3 | 6.2 | 0 | 0 | 0 | 106.4 | E249 | N247-E249 PolarHBondContact ND2-OE1 3.04Š|
| 248 | N | 26.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 66% | 0.663 | 64% | 0.636 | S | S | * | * | | | | 49.4 | 155.3 | 74.2 | -157.6 | 43.7 | 0 | 0 | 0 | 114.2 | | |
| 249 | E | 27.8 | Very low | 28.9 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | | | trans | 67.3 | 100.2 | 177.9 | -73.1 | 140.8 | -99.8 | 0 | 0 | 113.1 | N247 | N247-E249 PolarHBondContact ND2-OE1 3.04Š|
| 250 | N | 26.8 | Very low | 28.9 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | | | | 88.3 | 108.8 | 83.3 | -88.7 | -36.6 | 0 | 0 | 0 | 110 | | |
| 251 | S | 27.7 | Very low | 29 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | | | | 83.5 | 139.1 | 73.7 | -75.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 252 | Q | 26.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | | | trans | 72.5 | 154.8 | 153.3 | -67.3 | 173.6 | 1.5 | 0 | 0 | 116.2 | | |
| 253 | W | 24.9 | Very low | 29.5 | Very low | 193 Ų | 193 | 126 Ų | 126 | 73% | 0.731 | 65% | 0.649 | S | S | * | * | | | cis | -141.3 | 154.6 | -0.5 | -122.9 | -13.9 | 0 | 0 | 0 | 113.9 | | |
| 254 | N | 28.8 | Very low | 29.8 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | | | trans | 19.7 | 144.9 | 131.7 | -60.1 | 0.6 | 0 | 0 | 0 | 119.4 | | |
| 255 | N | 29.3 | Very low | 30.2 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | | | | 175.6 | 146.6 | 101.1 | -81.3 | -42.4 | 0 | 0 | 0 | 107 | | |
| 256 | N | 29.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | | | cis | -168.1 | 169.2 | -8.1 | -99.4 | -21.3 | 0 | 0 | 0 | 105.8 | | |
| 257 | H | 33.9 | Very low | 31 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | | | cis | -160 | 148.8 | 5 | -126.4 | 28.4 | 0 | 0 | 0 | 106.8 | | |
| 258 | N | 30.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | | | | 57.5 | 147.3 | 94.4 | -72.1 | -13.8 | 0 | 0 | 0 | 116.7 | | |
| 259 | I | 29.7 | Very low | 31.9 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | | | cis | -161.6 | 157.5 | 0.4 | -122.9 | 164.1 | 0 | 0 | 0 | 112.8 | | |
| 260 | G | 32 | Very low | 32.2 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | | | trans | 90.3 | 164.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 261 | K | 33.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | | | cis | -168.4 | 130.9 | -3.1 | -112.6 | -178.8 | -173.7 | 179.2 | 0 | 106.3 | | |
| 262 | D | 36.6 | Very low | 33.2 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | | | | 150.8 | 162.9 | 84.7 | -92.9 | -24.2 | 0 | 0 | 0 | 106.2 | | |
| 263 | V | 36.1 | Very low | 33.7 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | | | cis | -168.8 | 161.1 | -33.8 | 110.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 264 | N | 35.5 | Very low | 34.3 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | | | trans | 84.5 | 154.5 | 166.9 | -72.8 | -38 | 0 | 0 | 0 | 122.8 | | |
| 265 | T | 34.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | | | | -174 | 169.4 | -50.8 | -65.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 266 | I | 36.4 | Very low | 35.1 | Very low | 150 Ų | 150 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | | | trans | 81.7 | 137.3 | 162.6 | -50.2 | -176.9 | 0 | 0 | 0 | 116.3 | | |
| 267 | D | 35.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | | | cis | -179.3 | 174.9 | -30.2 | -92.4 | -48.1 | 0 | 0 | 0 | 107.7 | | |
| 268 | S | 36.4 | Very low | 35.5 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 54% | 0.538 | 72% | 0.723 | S | S | . | * | | | cis | -174.2 | 169 | -41.1 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 269 | F | 36.4 | Very low | 35.8 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | | | trans | 65.9 | 157.5 | 167 | -61.5 | -57.2 | 0 | 0 | 0 | 120.4 | | |
| 270 | N | 35.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | cis | -174.5 | 148 | -26.1 | -173.6 | 19 | 0 | 0 | 0 | 112.6 | | |
| 271 | A | 37.7 | Very low | 36.3 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | | | trans | 62.6 | 157.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 272 | K | 36.5 | Very low | 36.4 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | cis | -167.5 | 159.3 | -13.5 | -114.4 | -178.9 | 176.5 | -176.5 | 0 | 112.3 | | |
| 273 | S | 37.7 | Very low | 36.3 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | 70.3 | 155.7 | 151.4 | 78.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 274 | Q | 37.6 | Very low | 36.4 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | cis | -167.3 | 162.4 | -10.2 | -125.9 | -178.2 | -41.6 | 0 | 0 | 112.1 | | |
| 275 | I | 38.6 | Very low | 36.4 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | trans | 69.8 | 145.5 | 149.1 | -72.5 | 162.9 | 0 | 0 | 0 | 119.2 | | |
| 276 | D | 35.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | cis | -172.7 | 174.5 | -27.9 | -156.2 | -7.2 | 0 | 0 | 0 | 111.6 | | |
| 277 | M | 37.4 | Very low | 36.2 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | | | trans | 79.3 | 85.2 | 156.8 | -66.1 | -176.5 | -72.4 | 0 | 0 | 123.7 | | |
| 278 | T | 35.9 | Very low | 36.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | | 25.1 | 136.3 | 121.5 | 60.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 279 | A | 36.3 | Very low | 36.1 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | | 165.8 | 125.8 | 106 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 280 | K | 35.9 | Very low | 35.8 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | | | trans | 43.4 | 151.2 | 130.3 | -74.2 | -179.9 | 179.3 | -177.5 | 0 | 122.8 | | |
| 281 | S | 36.9 | Very low | 35.6 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | | | cis | -174.9 | 155.6 | 4.2 | 40.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 282 | N | 35 | Very low | 35.4 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | | | trans | 66.7 | 162.4 | 152.1 | -61.6 | 8 | 0 | 0 | 0 | 120.3 | | |
| 283 | S | 34.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | cis | -172.4 | 154.4 | -40.9 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 284 | P | 38.4 | Very low | 34.8 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | -104.7 | 176 | -169.9 | 41.1 | -37.1 | 0 | 0 | 0 | 116.7 | | |
| 285 | I | 33.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | | | trans | 179.1 | 150.9 | 156.8 | -96.7 | 153.8 | 0 | 0 | 0 | 110.8 | | |
| 286 | E | 33.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | | | trans | -120.5 | -168.1 | -171.5 | -57.4 | 70 | -142.1 | 0 | 0 | 111.9 | | |
| 287 | D | 34.8 | Very low | 34.1 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | cis | -167.5 | -179.9 | 14.8 | -177.4 | 27.9 | 0 | 0 | 0 | 111.1 | | |
| 288 | N | 34 | Very low | 34 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | 78.8 | 148.4 | 165.4 | -65.3 | -77.5 | 0 | 0 | 0 | 120.1 | | |
| 289 | S | 34.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | | | cis | -169.7 | 160.5 | -17.9 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 290 | Y | 30 | Very low | 33.7 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | | | trans | 68.8 | 174.1 | 160.1 | -62.8 | -54.9 | 0 | 0 | 0 | 120.5 | | |
| 291 | H | 32.6 | Very low | 33.7 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | cis | 172.2 | 145.8 | -37.2 | 178.4 | -111.3 | 0 | 0 | 0 | 111 | | |
| 292 | V | 32.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 58% | 0.576 | 69% | 0.688 | S | S | * | * | | | cis | -173.2 | 164.9 | -28.5 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | K | 32 | Very low | 33.4 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | | | trans | 76.5 | 156.9 | 172 | -63.9 | 160.3 | -173.7 | 168.2 | 0 | 116.7 | | |
| 294 | L | 30.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | | | cis | -155.8 | 141.4 | -6.5 | -146.5 | 73.6 | 0 | 0 | 0 | 109 | | |
| 295 | S | 32.5 | Very low | 33.1 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | | | | 159.4 | 144.6 | 94 | -86.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | R | 32.6 | Very low | 33 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | | | trans | 34.7 | 132.2 | 146.1 | -44.4 | 178.3 | -153.8 | 172.2 | 8 | 120.3 | | |
| 297 | Y | 31.8 | Very low | 32.8 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | | | | -162.3 | 172.3 | 68.6 | -121.5 | -86.6 | 0 | 0 | 0 | 115.4 | | |
| 298 | D | 35.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | | | trans | -51.6 | 165.9 | 179.7 | -70.3 | -76.1 | 0 | 0 | 0 | 118.5 | | |
| 299 | H | 34.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | | | cis | -151.2 | -154.3 | 3.5 | -138.9 | 52.3 | 0 | 0 | 0 | 109.1 | | |
| 300 | Q | 32.2 | Very low | 32.1 | Very low | 85 Ų | 85 | 145 Ų | 145 | 40% | 0.397 | 69% | 0.687 | S | S | . | * | | | cis | -149.4 | 163.5 | 5.2 | -175.5 | 154.1 | -167.7 | 0 | 0 | 114.2 | E189 Q190 R191 | E189-Q300 PolarHBondContact O-NE2 3.01Å; Q190-Q300 VanDerWaalsContact O-CB 3.27Å; Q190-Q300 WeakPolarHBondContact O-CB 3.4Å; Q190-Q300 WeakPolarHBondContact O-CG 3.21Å; Q190-Q300 PolarHBondContact O-NE2 3.06Å; R191-Q300 CarbonylContact C-O 3.46Å |
| 301 | Q | 35.1 | Very low | 32.2 | Very low | 94 Ų | 94 | 143 Ų | 143 | 44% | 0.439 | 69% | 0.69 | S | S | . | * | | | trans | -39 | 170.6 | 168.5 | -54.1 | -69.3 | -36.8 | 0 | 0 | 120.3 | Q190 R191 S192 | Q190-Q301 CarbonylContact C-O 3.58Å; R191-Q301 CarbonylContact C-O 3.53Å; R191-Q301 WeakPolarHBondContact CA-O 3.41Å; R191-Q301 PolarHBondContact N-O 3.01Å; R191-Q301 VanDerWaalsContact N-O 3.16Å; S192-Q301 PolarHBondContact N-O 3.05Å |
| 302 | N | 33.5 | Very low | 32 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 69% | 0.688 | S | S | * | * | | | cis | 178.5 | 167.1 | -33.1 | -160.6 | -19.2 | 0 | 0 | 0 | 110.8 | | |
| 303 | R | 32.2 | Very low | 31.8 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | | | trans | 81.8 | 114.1 | 141.7 | -152.1 | -160.9 | -64.2 | -137.7 | -0.9 | 121.8 | | |
| 304 | R | 33 | Very low | 31.6 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | | | | 149.2 | 149.2 | 121.2 | -81.2 | -172.5 | -166.2 | -143.1 | 3.3 | 112.2 | | |
| 305 | Q | 33.6 | Very low | 31.4 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | | | cis | -174.2 | 137.7 | -39.6 | -127 | 175.5 | -18.3 | 0 | 0 | 110.6 | | |
| 306 | S | 32 | Very low | 31.2 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | | | trans | 68.2 | 167.4 | 162.6 | 86.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 307 | N | 30 | Very low | 30.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | | | cis | -161.2 | 143.6 | 14.5 | -131.8 | -41.5 | 0 | 0 | 0 | 111.2 | | |
| 308 | K | 30.8 | Very low | 31 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | | | trans | 65.5 | 155.5 | 151.1 | -72.1 | 158.6 | -172.4 | 176.1 | 0 | 118.6 | | |
| 309 | S | 30 | Very low | 30.8 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | cis | -168.3 | 156.9 | -12.9 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 310 | N | 27.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | | | trans | 43.6 | 110.7 | 147.6 | -57.8 | -2.4 | 0 | 0 | 0 | 119.1 | | |
| 311 | I | 32.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 143 Ų | 143 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | | | | -134.5 | 144 | 119.8 | -103.6 | 157.4 | 0 | 0 | 0 | 108.1 | | |
| 312 | S | 27.9 | Very low | 30.2 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -138.2 | 157.2 | 177.9 | -179 | 0 | 0 | 0 | 0 | 108.2 | | |
| 313 | S | 27.6 | Very low | 30 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | trans | 79.7 | 151.8 | 158.4 | 76 | 0 | 0 | 0 | 0 | 119.6 | | |
| 314 | Y | 28.3 | Very low | 30 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | 77.9 | 109.4 | 169.4 | -63.4 | -73.2 | 0 | 0 | 0 | 120 | | |
| 315 | C | 25.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -51.2 | 153.4 | 154.1 | -36.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 316 | I | 28.6 | Very low | 29.8 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | | | trans | -159.5 | 146.9 | 134.8 | -103.1 | 151.2 | 0 | 0 | 0 | 107.7 | | |
| 317 | S | 27.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 146 Ų | 146 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -67.3 | 154.6 | 179.4 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 318 | S | 33 | Very low | 29.8 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -155.2 | 93 | 151.5 | -75.9 | 0 | 0 | 0 | 0 | 109.4 | Q320 | S318-Q320 PolarHBondContact O-N 2.75Š|
| 319 | D | 30.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | -63.8 | 123.1 | 159.7 | -48.8 | -91.2 | 0 | 0 | 0 | 108.3 | | |
| 320 | Q | 29.7 | Very low | 29.7 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -152.5 | 126 | 154.5 | -129 | 169.5 | 16.3 | 0 | 0 | 111.7 | S318 M322 | S318-Q320 PolarHBondContact O-N 2.75Å; Q320-M322 PolarHBondContact O-N 3.37Å; Q320-M322 VanDerWaalsContact O-N 3.16Å |
| 321 | E | 28.4 | Very low | 29.8 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -68 | 107.1 | -178.6 | -60.1 | 161.5 | 112.6 | 0 | 0 | 110.3 | N323 | E321-N323 VanDerWaalsContact C-N 3.27Å; E321-N323 PolarHBondContact O-N 3.4Å |
| 322 | M | 32.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 154.3 Ų | 154.3 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -91.5 | 70.6 | 159.9 | -81.3 | -66.8 | -65.1 | 0 | 0 | 109 | Q320 Y324 | Q320-M322 PolarHBondContact O-N 3.37Å; Q320-M322 VanDerWaalsContact O-N 3.16Å; M322-Y324 HydrophobicContact CE-CD2 4.08Å; M322-Y324 HydrophobicContact CE-CE2 3.53Å; M322-Y324 PolarHBondContact O-N 2.98Å; M322-Y324 VanDerWaalsContact O-N 3.16Å |
| 323 | N | 29 | Very low | 30.2 | Very low | 121 Ų | 121 | 154 Ų | 154 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | | | trans | -59.9 | 113 | 170.8 | 179.5 | -20 | 0 | 0 | 0 | 109.1 | E321 D325 | E321-N323 VanDerWaalsContact C-N 3.27Å; E321-N323 PolarHBondContact O-N 3.4Å; N323-D325 PolarHBondContact OD1-N 3.09Å |
| 324 | Y | 31.1 | Very low | 30.2 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -109.8 | 16.8 | 179.8 | -112.2 | -65.7 | 0 | 0 | 0 | 113.9 | M322 K326 | M322-Y324 HydrophobicContact CE-CD2 4.08Å; M322-Y324 HydrophobicContact CE-CE2 3.53Å; M322-Y324 PolarHBondContact O-N 2.98Å; M322-Y324 VanDerWaalsContact O-N 3.16Å; Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 PolarHBondContact O-N 3.45Å |
| 325 | D | 28.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -74.5 | 81.5 | 164.1 | -79.6 | -47.6 | 0 | 0 | 0 | 110.2 | N323 | N323-D325 PolarHBondContact OD1-N 3.09Š|
| 326 | K | 34.2 | Very low | 30.5 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | -137.3 | 83.5 | 163.7 | -72.9 | -156.3 | 174.3 | -170.4 | 0 | 114 | Y324 C328 | Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 PolarHBondContact O-N 3.45Å; K326-C328 PolarHBondContact O-N 3.2Å |
| 327 | E | 31.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | | 48.9 | 67.7 | 108.6 | -163.7 | -160.2 | 166.8 | 0 | 0 | 115.1 | Q329 | E327-Q329 HydrophobicContact CG-CB 3.94Å; E327-Q329 PolarHBondContact O-N 3.23Å |
| 328 | C | 30 | Very low | 31 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | | | trans | -78.7 | 40 | 164.9 | -149.9 | 0 | 0 | 0 | 0 | 111.6 | K326 K330 | K326-C328 PolarHBondContact O-N 3.2Å; C328-K330 PolarHBondContact O-N 3.02Å; C328-K330 VanDerWaalsContact O-N 3.09Å |
| 329 | Q | 27.6 | Very low | 31.1 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -91.4 | 67 | -169.9 | -147.8 | 166.8 | 34.5 | 0 | 0 | 111.5 | E327 | E327-Q329 HydrophobicContact CG-CB 3.94Å; E327-Q329 PolarHBondContact O-N 3.23Å |
| 330 | K | 31.4 | Very low | 31.1 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -155.9 | 121.9 | 172.7 | -102.5 | 143.1 | -174.2 | 153.6 | 0 | 108.5 | C328 | C328-K330 PolarHBondContact O-N 3.02Å; C328-K330 VanDerWaalsContact O-N 3.09Å |
| 331 | R | 31.1 | Very low | 31.2 | Very low | 234 Ų | 234 | 151.7 Ų | 151.7 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | cis | -143.9 | 136.7 | 15.2 | -62.1 | 171.9 | 175.1 | -113.6 | 2.4 | 112.2 | | |
| 332 | Q | 30.3 | Very low | 31.3 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -61.9 | 175.6 | 151 | -79.9 | -169.7 | 3.5 | 0 | 0 | 111.5 | | |
| 333 | P | 37.7 | Very low | 31.3 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | | | cis | -136.5 | -169.9 | 7.1 | 37 | -15.8 | 0 | 0 | 0 | 115.3 | | |
| 334 | L | 29 | Very low | 31.6 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | 43.2 | 123.8 | 143 | -70.7 | 156.4 | 0 | 0 | 0 | 119.1 | | |
| 335 | G | 30.3 | Very low | 31.7 | Very low | 64 Ų | 64 | 148.2 Ų | 148.2 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | | | cis | 103.6 | 147.4 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 336 | K | 30 | Very low | 32.3 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | | | trans | 85.7 | 161.8 | -174.2 | -53.1 | 177.3 | -176.8 | -178.5 | 0 | 115.9 | | |
| 337 | D | 34 | Very low | 32.5 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | | | trans | 68.4 | 132.8 | 168.8 | -51.7 | -22.3 | 0 | 0 | 0 | 116.5 | | |
| 338 | L | 32 | Very low | 33 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | cis | -168.9 | -179.6 | -18.8 | -124.6 | 167.5 | 0 | 0 | 0 | 107.5 | | |
| 339 | D | 34.7 | Very low | 33.3 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | trans | 64 | 120.7 | 167.4 | -63.1 | -50.1 | 0 | 0 | 0 | 118 | | |
| 340 | V | 30 | Very low | 33.7 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | | | cis | 90.6 | 129.4 | 45.7 | 168.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 341 | K | 31.4 | Very low | 33.9 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | | | trans | 83.3 | 143.8 | 179.5 | -64.1 | 150.4 | -177.1 | 168.1 | 0 | 115.3 | | |
| 342 | E | 31.8 | Very low | 34 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | | | cis | -156.1 | 148.4 | -3.4 | -125.4 | 166.6 | 118.2 | 0 | 0 | 112.3 | | |
| 343 | K | 31.9 | Very low | 34 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | | | trans | 46.4 | 147.2 | 143.8 | -73.3 | 165.3 | -171.7 | 160.1 | 0 | 119.8 | | |
| 344 | K | 34.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | | | cis | -153.8 | 148.9 | 13.9 | -145.6 | 166.1 | 169.4 | -68.1 | 0 | 105.9 | D346 | K344-D346 IonicContact NZ-OD1 3.8Å; K344-D346 PolarHBondContact NZ-OD1 2.65Å; K344-D346 IonicContact NZ-OD2 3.93Å; K344-D346 PolarHBondContact NZ-OD2 2.89Å |
| 345 | H | 35.3 | Very low | 33.6 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | | | | 47 | 136.1 | 67.2 | -84 | -103.6 | 0 | 0 | 0 | 111.7 | E347 | H345-E347 IonicContact CE1-OE1 2.7Å; H345-E347 PolarHBondContact CE1-OE1 2.9Å; H345-E347 IonicContact CE1-OE2 3.1Å; H345-E347 IonicContact CG-OE2 3.63Å; H345-E347 IonicContact ND1-OE1 2.57Å; H345-E347 PolarHBondContact ND1-OE1 3.16Å; H345-E347 VanDerWaalsContact ND1-OE1 3.1Å; H345-E347 IonicContact ND1-OE2 3.1Å; H345-E347 PolarHBondContact ND1-OE2 3.39Å |
| 346 | D | 40 | Very low | 33.4 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | | | cis | -131.8 | 148.7 | 38.5 | -51 | -59.6 | 0 | 0 | 0 | 108.9 | K344 | K344-D346 IonicContact NZ-OD1 3.8Å; K344-D346 PolarHBondContact NZ-OD1 2.65Å; K344-D346 IonicContact NZ-OD2 3.93Å; K344-D346 PolarHBondContact NZ-OD2 2.89Å |
| 347 | E | 37.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 58% | 0.575 | 70% | 0.704 | S | S | * | * | | | | 64.3 | 156.4 | 65.5 | -64.7 | 157.7 | 151.3 | 0 | 0 | 112.7 | H345 | H345-E347 IonicContact CE1-OE1 2.7Å; H345-E347 PolarHBondContact CE1-OE1 2.9Å; H345-E347 IonicContact CE1-OE2 3.1Å; H345-E347 IonicContact CG-OE2 3.63Å; H345-E347 IonicContact ND1-OE1 2.57Å; H345-E347 PolarHBondContact ND1-OE1 3.16Å; H345-E347 VanDerWaalsContact ND1-OE1 3.1Å; H345-E347 IonicContact ND1-OE2 3.1Å; H345-E347 PolarHBondContact ND1-OE2 3.39Å |
| 348 | D | 41.4 | Very low | 33 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | | | cis | -105.1 | -173.2 | 2 | -45.1 | -72 | 0 | 0 | 0 | 110.4 | | |
| 349 | E | 37.7 | Very low | 32.9 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | | | cis | 73 | 144.5 | 15 | -50.3 | -164 | 139.1 | 0 | 0 | 115.1 | | |
| 350 | E | 35.9 | Very low | 32.5 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | | | cis | -127.8 | 167.2 | 11.4 | -68.5 | 165.6 | 116.4 | 0 | 0 | 110.2 | | |
| 351 | E | 36.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | | | | 66.2 | 166.9 | 59.4 | -127 | -155.9 | 131.1 | 0 | 0 | 117.1 | | |
| 352 | E | 32.4 | Very low | 32.5 | Very low | 154 Ų | 154 | 141 Ų | 141 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | | | trans | 68.5 | 146.6 | 178.9 | -60.5 | -138.5 | 136.7 | 0 | 0 | 118.3 | | |
| 353 | R | 29.4 | Very low | 32.6 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | | | cis | -171.5 | -173.9 | -32.5 | -120.9 | 167.5 | -167.8 | -102.6 | 2.6 | 108.3 | | |
| 354 | E | 29.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | trans | 18.6 | 123.5 | 147.5 | -64.4 | 159.9 | -137.8 | 0 | 0 | 118.1 | | |
| 355 | G | 28.7 | Very low | 33.1 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | | | cis | 137.4 | -175.5 | 13.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 356 | V | 27.2 | Very low | 33.3 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | | | trans | 56.4 | 88.9 | 157.7 | -166.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 357 | E | 26.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | | 75.9 | 167.2 | 127.4 | -142.8 | 178.1 | 174.1 | 0 | 0 | 119.9 | | |
| 358 | Y | 28.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | | | trans | 66 | 96.8 | 165.7 | -68.8 | -60 | 0 | 0 | 0 | 122 | | |
| 359 | K | 29.8 | Very low | 33.3 | Very low | 163 Ų | 163 | 134 Ų | 134 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | | | | 71 | 129.2 | 115.1 | -82.2 | -178.6 | -168.7 | 149.2 | 0 | 121.4 | | |
| 360 | N | 27.6 | Very low | 33.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | | | | 88 | 121.9 | 124.9 | -80.1 | 46.4 | 0 | 0 | 0 | 121.6 | | |
| 361 | D | 30.7 | Very low | 33.8 | Very low | 126 Ų | 126 | 127 Ų | 127 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | | | trans | 79.6 | 147.7 | 130.3 | -53.6 | -18 | 0 | 0 | 0 | 120.7 | | |
| 362 | C | 31.1 | Very low | 34.3 | Very low | 115 Ų | 115 | 125 Ų | 125 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | | | trans | 80.7 | 140.4 | 164.3 | -58.3 | 0 | 0 | 0 | 0 | 119 | | |
| 363 | I | 33.4 | Very low | 34.9 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | | | cis | -170.7 | 164.2 | -32.8 | -119.3 | 162 | 0 | 0 | 0 | 108.7 | | |
| 364 | D | 38.8 | Very low | 35.6 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | | | trans | 63.3 | 146.1 | 176.1 | -65.8 | -31.9 | 0 | 0 | 0 | 116.9 | | |
| 365 | G | 37.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 121.8 Ų | 121.8 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | | | cis | 153.7 | 137.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 366 | G | 39.8 | Very low | 36.8 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | | | cis | -176.9 | -170.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 367 | N | 37.5 | Very low | 37.5 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | 61.5 | 141.6 | 143.6 | -125.3 | 36.5 | 0 | 0 | 0 | 120.3 | N369 | N367-N369 PolarHBondContact OD1-OD1 2.99Š|
| 368 | A | 42.2 | Very low | 38 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | | | cis | -154.5 | 137.5 | 20.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 369 | N | 39 | Very low | 38.3 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | 62.3 | 152.7 | 129.9 | -54.1 | 6.7 | 0 | 0 | 0 | 123.6 | N367 | N367-N369 PolarHBondContact OD1-OD1 2.99Š|
| 370 | G | 41.1 | Very low | 38.4 | Very low | 63 Ų | 63 | 119.7 Ų | 119.7 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | | | trans | 103.3 | 78.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 371 | D | 43.4 | Very low | 38.9 | Very low | 143 Ų | 143 | 119.2 Ų | 119.2 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | | 63.7 | 131.4 | 60.2 | -44.2 | -53.1 | 0 | 0 | 0 | 110.8 | | |
| 372 | V | 47.1 | Very low | 39 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | cis | -152.8 | 150.1 | 31.7 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 373 | D | 44.2 | Very low | 39.3 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | 8.6 | 166.8 | 155.2 | -31.9 | -28.3 | 0 | 0 | 0 | 121.7 | | |
| 374 | D | 45.6 | Very low | 39.2 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | | | cis | -157.6 | -177.5 | 2.5 | -153.3 | 14.2 | 0 | 0 | 0 | 105.9 | | |
| 375 | V | 45.3 | Very low | 39 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | | | cis | -148.1 | 154.5 | 8.8 | -157 | 0 | 0 | 0 | 0 | 108.9 | | |
| 376 | D | 37 | Very low | 38.9 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | -86.4 | 154.2 | 168.5 | -107.7 | -53.5 | 0 | 0 | 0 | 114 | V378 | D376-V378 HydrophobicContact CB-CG2 4.17Š|
| 377 | G | 42.1 | Very low | 38.6 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | trans | -140.7 | 51.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 378 | V | 37.6 | Very low | 38.6 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 61% | 0.606 | 73% | 0.726 | S | S | * | * | | | trans | -88 | 157.6 | -161.5 | -138.5 | 0 | 0 | 0 | 0 | 115.8 | D376 | D376-V378 HydrophobicContact CB-CG2 4.17Š|
| 379 | N | 34.5 | Very low | 38.5 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | 86.2 | 103.7 | 144.7 | -75.4 | -43.6 | 0 | 0 | 0 | 122.9 | | |
| 380 | N | 32.1 | Very low | 38.7 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | | | | 79.7 | 168.4 | 105 | -159 | 11.3 | 0 | 0 | 0 | 120 | | |
| 381 | V | 37.4 | Very low | 38.8 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | | | trans | 88.2 | 81 | 161.5 | -165.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 382 | D | 32.6 | Very low | 38.8 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | | | | 85.2 | 143 | 117.4 | -121.5 | -2.8 | 0 | 0 | 0 | 123.6 | | |
| 383 | R | 36.7 | Very low | 38.8 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | | | trans | 73.5 | 108.1 | 152.5 | -64.1 | 161.4 | -142.7 | 161.4 | 13.2 | 122 | | |
| 384 | N | 31.3 | Very low | 38.9 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | | | | 28.4 | 120.1 | 110.5 | -84.6 | -9.4 | 0 | 0 | 0 | 118.4 | | |
| 385 | I | 34.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | | -178 | 117.7 | 110 | -96 | 158.5 | 0 | 0 | 0 | 113 | | |
| 386 | T | 35.1 | Very low | 39.2 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | | | trans | 51.7 | 131.7 | 148.5 | 66.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 387 | N | 34.3 | Very low | 39.9 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | | | | 56.3 | 129.5 | 124.2 | -52.4 | 19.3 | 0 | 0 | 0 | 117.8 | | |
| 388 | A | 37.9 | Very low | 40.1 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | | 139.7 | 163.4 | 63.4 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 389 | D | 40.4 | Very low | 40.6 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | | | cis | -160.6 | 132.5 | -10.8 | -102.3 | -14.4 | 0 | 0 | 0 | 108.9 | | |
| 390 | N | 42.9 | Very low | 41.1 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | | | trans | 61.3 | 170.3 | 132.9 | -47.6 | -25.2 | 0 | 0 | 0 | 122.8 | | |
| 391 | N | 41.7 | Very low | 41.5 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | trans | 78.3 | 100.4 | 167.7 | -29.8 | -80 | 0 | 0 | 0 | 112.2 | | |
| 392 | D | 44.5 | Very low | 41.6 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | cis | 65.9 | 170.3 | 33.2 | -39.9 | -68.7 | 0 | 0 | 0 | 114 | | |
| 393 | D | 46.7 | Very low | 41.6 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | 70.5 | 127.5 | -169 | -49.1 | -13 | 0 | 0 | 0 | 113.1 | | |
| 394 | D | 46.9 | Very low | 41.5 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | | | cis | 130.9 | 172.1 | 9.1 | -99.3 | -19 | 0 | 0 | 0 | 107.3 | | |
| 395 | A | 49.5 | Very low | 41.6 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | 69.9 | 151.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 396 | D | 48.3 | Very low | 41.5 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | cis | -162.2 | -160.1 | -23.5 | -101.6 | -32.2 | 0 | 0 | 0 | 105.5 | | |
| 397 | D | 51.3 | Low | 41.6 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 66.1 | 110 | 157.7 | -53.9 | -24.3 | 0 | 0 | 0 | 116 | | |
| 398 | D | 46.4 | Very low | 41.5 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | | 79.6 | 149.9 | 75.5 | -81.3 | -18.3 | 0 | 0 | 0 | 113.3 | | |
| 399 | D | 46.9 | Very low | 41.4 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | trans | 64.1 | 152.2 | 170.8 | -55.3 | -21.8 | 0 | 0 | 0 | 117.1 | | |
| 400 | D | 44.9 | Very low | 41.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | cis | -149.9 | 160.9 | -16.8 | -139.6 | -18.2 | 0 | 0 | 0 | 110.1 | N402 | D400-N402 PolarHBondContact O-N 3.04Š|
| 401 | D | 41.8 | Very low | 40.8 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | -79.6 | 99.2 | 164 | -93.5 | -48 | 0 | 0 | 0 | 108.8 | | |
| 402 | N | 38.2 | Very low | 40.4 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | | | trans | -150.9 | 140.5 | 166.7 | -91.6 | -61.1 | 0 | 0 | 0 | 115.1 | D400 | D400-N402 PolarHBondContact O-N 3.04Š|
| 403 | D | 33.1 | Very low | 39.9 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | | | trans | -1.9 | 138.1 | 134 | -52.7 | -14.3 | 0 | 0 | 0 | 116 | | |
| 404 | G | 35.2 | Very low | 39.2 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | | | cis | 147.9 | 175 | 14.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 405 | D | 33.5 | Very low | 38.6 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | | | trans | 42.3 | 133.4 | 166.6 | -61.9 | -18.2 | 0 | 0 | 0 | 121.1 | | |
| 406 | N | 32.9 | Very low | 37.7 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | 67.4 | 163.4 | 152.8 | -80.4 | 23.2 | 0 | 0 | 0 | 118.4 | | |
| 407 | D | 35.9 | Very low | 37 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | cis | -130.4 | 126.4 | -10.2 | -107 | -48.1 | 0 | 0 | 0 | 107.1 | | |
| 408 | N | 33 | Very low | 35.9 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | | | | 64.7 | 147 | 94.3 | -87.9 | -52.1 | 0 | 0 | 0 | 117.2 | | |
| 409 | S | 36 | Very low | 35.2 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | trans | 67 | 148.8 | 166.4 | 74 | 0 | 0 | 0 | 0 | 115.6 | | |
| 410 | Y | 33.8 | Very low | 34.2 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -127.8 | 150.8 | 11.2 | -86.3 | -107.1 | 0 | 0 | 0 | 109.5 | | |
| 411 | L | 36.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | | | cis | -166.3 | 177.5 | -18 | -140.6 | 65.6 | 0 | 0 | 0 | 104.2 | | |
| 412 | I | 34.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 137 Ų | 137 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | cis | -155.6 | 128.9 | 15.7 | -174.7 | 163.6 | 0 | 0 | 0 | 111.1 | | |
| 413 | D | 33 | Very low | 32.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | | | trans | 25.1 | 147.3 | 132.5 | -67.8 | 0.9 | 0 | 0 | 0 | 121.1 | | |
| 414 | Q | 32.9 | Very low | 32 | Very low | 145 Ų | 145 | 138 Ų | 138 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | cis | -169.7 | 169 | 14 | -121.6 | 173.2 | 58.9 | 0 | 0 | 108.8 | | |
| 415 | Q | 32.8 | Very low | 32 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 60% | 0.603 | 74% | 0.735 | S | S | * | * | | | cis | -162.7 | 134.9 | 2.5 | -173.3 | 68 | 103.8 | 0 | 0 | 110.1 | | |
| 416 | T | 32.1 | Very low | 31.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | 67.3 | 155.3 | 153.8 | 52.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 417 | N | 32.5 | Very low | 31.6 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | cis | -146.7 | 145.9 | 1.1 | -127.5 | -29.6 | 0 | 0 | 0 | 113.4 | | |
| 418 | H | 28.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | | | trans | -91.3 | 158.5 | 170.6 | -75 | -85.2 | 0 | 0 | 0 | 111.9 | | |
| 419 | H | 32.1 | Very low | 31.4 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | | -164.1 | 155.5 | 120.8 | -118.4 | -84.6 | 0 | 0 | 0 | 114.1 | | |
| 420 | Y | 24.8 | Very low | 31.4 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 144.4 | -179.9 | -83.8 | -116.4 | 0 | 0 | 0 | 114.6 | | |
| 421 | S | 28.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | | -169.5 | 151.9 | 123.3 | -85.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 422 | T | 25.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | trans | -88.7 | 126.4 | -178.1 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 423 | S | 31.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | -157.2 | 123.8 | 164 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 424 | F | 27.5 | Very low | 32.1 | Very low | 189 Ų | 189 | 136 Ų | 136 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | 3.2 | 127.6 | 158.9 | -57.2 | -91.1 | 0 | 0 | 0 | 120.6 | | |
| 425 | P | 33.7 | Very low | 32.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 133.1 | 134.1 | 32.6 | -29.7 | 0 | 0 | 0 | 110.1 | | |
| 426 | T | 32.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 143.8 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | T428 | T426-T428 PolarHBondContact O-N 3.12Š|
| 427 | L | 26.5 | Very low | 33.8 | Very low | 173 Ų | 173 | 130 Ų | 130 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 120.6 | 174.2 | -71.2 | 163.2 | 0 | 0 | 0 | 112.4 | | |
| 428 | T | 32.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | -120.1 | 167.2 | 159.3 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | T426 D430 | T426-T428 PolarHBondContact O-N 3.12Å; T428-D430 PolarHBondContact O-N 3.28Å |
| 429 | S | 31.4 | Very low | 35.4 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 10.8 | -139.1 | 41.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 430 | D | 35.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -7 | -158.5 | -62.4 | -73.3 | 0 | 0 | 0 | 116.5 | T428 S433 | T428-D430 PolarHBondContact O-N 3.28Å; D430-S433 PolarHBondContact O-OG 3.04Å |
| 431 | S | 35.1 | Very low | 38 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -2.9 | -177.6 | -72.9 | 0 | 0 | 0 | 0 | 116 | | |
| 432 | L | 35.3 | Very low | 38.8 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.4 | -18.8 | -178.3 | -84 | 167.3 | 0 | 0 | 0 | 114.5 | I436 | L432-I436 VanDerWaalsContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CD1 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.26Å |
| 433 | S | 38.2 | Very low | 39.9 | Very low | 73 Ų | 73 | 108.2 Ų | 108.2 | 51% | 0.51 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.7 | -44.5 | 176 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | D430 | D430-S433 PolarHBondContact O-OG 3.04Å |
| 434 | N | 43.6 | Very low | 41 | Very low | 127 Ų | 127 | 105.4 Ų | 105.4 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.7 | -22.9 | -170.7 | -70.8 | -27.4 | 0 | 0 | 0 | 114.2 | P438 | N434-P438 WeakPolarHBondContact O-CD 3.48Å |
| 435 | C | 34.7 | Very low | 42.3 | Very low | 75 Ų | 75 | 102.4 Ų | 102.4 | 51% | 0.507 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -83.5 | -25.9 | 176.9 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | P438 M439 | C435-P438 WeakPolarHBondContact O-CD 3.49Å; C435-P438 WeakPolarHBondContact O-CG 3.25Å; C435-M439 PolarHBondContact O-N 3.28Å |
| 436 | I | 46.8 | Very low | 42.9 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69 | -38.4 | 178.2 | -69.7 | 172.1 | 0 | 0 | 0 | 110.9 | L432 M439 L440 | L432-I436 VanDerWaalsContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CD1 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.26Å; I436-M439 PolarHBondContact O-N 3.1Å; I436-L440 HydrophobicContact CG2-CB 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.05Å; I436-L440 PolarHBondContact O-N 3.22Å |
| 437 | S | 53.3 | Low | 43.7 | Very low | 81 Ų | 81 | 95 Ų | 95 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.4 | -54.2 | 179.3 | -65.6 | 0 | 0 | 0 | 0 | 114.3 | A441 | S437-A441 VanDerWaalsContact O-CB 3.25Å; S437-A441 WeakPolarHBondContact O-CB 3.49Å; S437-A441 PolarHBondContact O-N 3.46Å |
| 438 | P | 50.9 | Low | 44.7 | Very low | 80 Ų | 80 | 92.7 Ų | 92.7 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70 | -33.5 | 176.6 | 27.3 | -34.5 | 0 | 0 | 0 | 113.2 | N434 C435 A442 | N434-P438 WeakPolarHBondContact O-CD 3.48Å; C435-P438 WeakPolarHBondContact O-CD 3.49Å; C435-P438 WeakPolarHBondContact O-CG 3.25Å; P438-A442 WeakPolarHBondContact O-CB 3.43Å; P438-A442 PolarHBondContact O-N 2.88Å |
| 439 | M | 44.7 | Very low | 45.7 | Very low | 146 Ų | 146 | 90.7 Ų | 90.7 | 72% | 0.719 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -37.8 | 175.1 | -75.8 | -167.5 | 97.1 | 0 | 0 | 112.6 | C435 I436 A442 A443 | C435-M439 PolarHBondContact O-N 3.28Å; I436-M439 PolarHBondContact O-N 3.1Å; M439-A442 PolarHBondContact O-N 2.93Å; M439-A443 VanDerWaalsContact O-CB 3.26Å; M439-A443 WeakPolarHBondContact O-CB 3.47Å; M439-A443 PolarHBondContact O-N 3.04Å |
| 440 | L | 56.1 | Low | 46.3 | Very low | 118 Ų | 118 | 90.3 Ų | 90.3 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.7 | -35.6 | 176.7 | -171.9 | 62.9 | 0 | 0 | 0 | 111.1 | I436 A443 A444 | I436-L440 HydrophobicContact CG2-CB 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.05Å; I436-L440 PolarHBondContact O-N 3.22Å; L440-A443 PolarHBondContact O-N 3.27Å; L440-A444 VanDerWaalsContact O-CB 3.24Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 2.78Å |
| 441 | A | 54.1 | Low | 46.3 | Very low | 56 Ų | 56 | 87.3 Ų | 87.3 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S437 A444 M445 | S437-A441 VanDerWaalsContact O-CB 3.25Å; S437-A441 WeakPolarHBondContact O-CB 3.49Å; S437-A441 PolarHBondContact O-N 3.46Å; A441-A444 PolarHBondContact O-N 3.45Å; A441-M445 WeakPolarHBondContact O-CB 3.49Å; A441-M445 VanDerWaalsContact O-CG 3.26Å; A441-M445 WeakPolarHBondContact O-CG 3.41Å; A441-M445 PolarHBondContact O-N 3.39Å |
| 442 | A | 46.4 | Very low | 46.2 | Very low | 60 Ų | 60 | 84.8 Ų | 84.8 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P438 M439 M445 A446 | P438-A442 WeakPolarHBondContact O-CB 3.43Å; P438-A442 PolarHBondContact O-N 2.88Å; M439-A442 PolarHBondContact O-N 2.93Å; A442-M445 PolarHBondContact O-N 3.34Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.3Å; A442-A446 PolarHBondContact O-N 2.92Å |
| 443 | A | 48.8 | Very low | 46.1 | Very low | 54 Ų | 54 | 86.8 Ų | 86.8 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M439 L440 A446 A447 | M439-A443 VanDerWaalsContact O-CB 3.26Å; M439-A443 WeakPolarHBondContact O-CB 3.47Å; M439-A443 PolarHBondContact O-N 3.04Å; L440-A443 PolarHBondContact O-N 3.27Å; A443-A446 WeakPolarHBondContact O-CB 3.49Å; A443-A446 PolarHBondContact O-N 3.47Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.89Å |
| 444 | A | 53.5 | Low | 45.8 | Very low | 50 Ų | 50 | 87.3 Ų | 87.3 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L440 A441 A446 A447 L448 | L440-A444 VanDerWaalsContact O-CB 3.24Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 2.78Å; A441-A444 PolarHBondContact O-N 3.45Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 2.75Å; A444-A447 PolarHBondContact O-N 3.48Å; A444-L448 WeakPolarHBondContact O-CB 3.4Å; A444-L448 VanDerWaalsContact O-CG 3.24Å; A444-L448 WeakPolarHBondContact O-CG 3.24Å; A444-L448 PolarHBondContact O-N 3.49Å |
| 445 | M | 55.5 | Low | 45.5 | Very low | 126 Ų | 126 | 86.7 Ų | 86.7 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -34.7 | 172.4 | -74.7 | -68.7 | -158 | 0 | 0 | 112.3 | A441 A442 L448 T449 | A441-M445 WeakPolarHBondContact O-CB 3.49Å; A441-M445 VanDerWaalsContact O-CG 3.26Å; A441-M445 WeakPolarHBondContact O-CG 3.41Å; A441-M445 PolarHBondContact O-N 3.39Å; A442-M445 PolarHBondContact O-N 3.34Å; M445-L448 PolarHBondContact O-N 2.77Å; M445-T449 WeakPolarHBondContact O-CB 3.31Å; M445-T449 WeakPolarHBondContact O-CG2 3.38Å; M445-T449 PolarHBondContact O-N 3.28Å; M445-T449 PolarHBondContact O-OG1 2.81Å |
| 446 | A | 46.5 | Very low | 45.2 | Very low | 47 Ų | 47 | 88.9 Ų | 88.9 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.9 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A442 A443 A444 L448 T449 T450 | A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.3Å; A442-A446 PolarHBondContact O-N 2.92Å; A443-A446 WeakPolarHBondContact O-CB 3.49Å; A443-A446 PolarHBondContact O-N 3.47Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 2.75Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.44Å; A446-T449 WeakPolarHBondContact CA-OG1 3.46Å; A446-T449 CarbonylContact O-C 3.59Å; A446-T449 PolarHBondContact O-N 3.04Å; A446-T449 PolarHBondContact O-OG1 3.47Å; A446-T450 PolarHBondContact O-N 3.36Å; A446-T450 PolarHBondContact O-OG1 3.35Å |
| 447 | A | 48.6 | Very low | 44.4 | Very low | 47 Ų | 47 | 88.2 Ų | 88.2 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.6 | -34.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A443 A444 T450 | A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.89Å; A444-A447 PolarHBondContact O-N 3.48Å; A447-T450 CarbonylContact O-C 3.46Å |
| 448 | L | 47.5 | Very low | 43.4 | Very low | 126 Ų | 126 | 90.1 Ų | 90.1 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.6 | -24.6 | 173.8 | -70.4 | 168.4 | 0 | 0 | 0 | 113.1 | A444 M445 A446 | A444-L448 WeakPolarHBondContact O-CB 3.4Å; A444-L448 VanDerWaalsContact O-CG 3.24Å; A444-L448 WeakPolarHBondContact O-CG 3.24Å; A444-L448 PolarHBondContact O-N 3.49Å; M445-L448 PolarHBondContact O-N 2.77Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.44Å |
| 449 | T | 52.2 | Low | 42.4 | Very low | 81 Ų | 81 | 95.1 Ų | 95.1 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -96.8 | -7.4 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | Q12 M445 A446 | Q12-T449 PolarHBondContact NE2-O 3.16Å; M445-T449 WeakPolarHBondContact O-CB 3.31Å; M445-T449 WeakPolarHBondContact O-CG2 3.38Å; M445-T449 PolarHBondContact O-N 3.28Å; M445-T449 PolarHBondContact O-OG1 2.81Å; A446-T449 WeakPolarHBondContact CA-OG1 3.46Å; A446-T449 CarbonylContact O-C 3.59Å; A446-T449 PolarHBondContact O-N 3.04Å; A446-T449 PolarHBondContact O-OG1 3.47Å |
| 450 | T | 45.5 | Very low | 41.6 | Very low | 99 Ų | 99 | 96 Ų | 96 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -117.9 | 64.4 | 169.4 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | A446 A447 | A446-T450 PolarHBondContact O-N 3.36Å; A446-T450 PolarHBondContact O-OG1 3.35Å; A447-T450 CarbonylContact O-C 3.46Å |
| 451 | G | 36.1 | Very low | 40.4 | Very low | 58 Ų | 58 | 94.2 Ų | 94.2 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | | | trans | -66 | 131.5 | -155.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 452 | C | 32.7 | Very low | 39.2 | Very low | 45 Ų | 45 | 97.5 Ų | 97.5 | 30% | 0.304 | 59% | 0.589 | S | S | . | * | | | trans | -154.1 | 91.4 | 146 | -99.5 | 0 | 0 | 0 | 0 | 110.9 | F1514 | C452-F1514 PolarHBondContact SG-N 3.28Å; C452-F1514 PolarHBondContact SG-O 3.21Å |
| 453 | F | 32.3 | Very low | 38.6 | Very low | 177 Ų | 177 | 100 Ų | 100 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | | | trans | -139.5 | 127.3 | 163.9 | -97.9 | -79.4 | 0 | 0 | 0 | 110.1 | | |
| 454 | P | 33.1 | Very low | 37.7 | Very low | 84 Ų | 84 | 104.1 Ų | 104.1 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | | | trans | -97.4 | 115.2 | -178.5 | 34.4 | -30 | 0 | 0 | 0 | 112.2 | | |
| 455 | T | 36.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 107.1 Ų | 107.1 | 70% | 0.699 | 61% | 0.609 | S | S | * | * | | | trans | -143.3 | 60.2 | 171.5 | -37.8 | 0 | 0 | 0 | 0 | 113.6 | C457 | T455-C457 HydrophobicContact CG2-CB 4.03Å; T455-C457 PolarHBondContact O-N 2.96Å; T455-C457 VanDerWaalsContact O-N 3.1Å |
| 456 | S | 28.8 | Very low | 35.3 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 84% | 0.839 | 61% | 0.61 | S | S | * | * | | | trans | -80.1 | 55.9 | 159.6 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 457 | C | 30.1 | Very low | 34.6 | Very low | 84 Ų | 84 | 110 Ų | 110 | 57% | 0.568 | 63% | 0.627 | S | S | * | * | | | trans | -104.8 | 64.4 | -178.7 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | T455 | T455-C457 HydrophobicContact CG2-CB 4.03Å; T455-C457 PolarHBondContact O-N 2.96Å; T455-C457 VanDerWaalsContact O-N 3.1Å |
| 458 | N | 31.4 | Very low | 34 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -159 | 48.8 | 159.9 | -111.3 | -72.6 | 0 | 0 | 0 | 111 | N695 | N458-N695 PolarHBondContact OD1-ND2 3Š|
| 459 | Q | 29.3 | Very low | 33.2 | Very low | 185 Ų | 185 | 111.2 Ų | 111.2 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -143.6 | 59.4 | 167.3 | -84.1 | -140.1 | 46.9 | 0 | 0 | 110.8 | | |
| 460 | L | 29.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 115 Ų | 115 | 87% | 0.869 | 64% | 0.644 | S | S | * | * | | | trans | -154.4 | 45.1 | 162.9 | -146.7 | 74.8 | 0 | 0 | 0 | 113.6 | | |
| 461 | S | 30.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -128.6 | 23.5 | 170.3 | 69.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 462 | Q | 30 | Very low | 31.6 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | | | trans | -145.5 | 77 | 172.2 | -82.6 | -149.4 | 85.8 | 0 | 0 | 111.2 | G691 | Q462-G691 PolarHBondContact NE2-O 2.99Š|
| 463 | L | 33.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 60% | 0.597 | 67% | 0.674 | S | S | * | * | | | trans | -126.8 | 111.6 | 148.9 | -80.3 | 178.7 | 0 | 0 | 0 | 108.5 | Y465 F897 | L463-Y465 PolarHBondContact O-N 3.46Å; L463-F897 HydrophobicContact CB-CE2 3.6Å; L463-F897 HydrophobicContact CB-CZ 3.69Å; L463-F897 HydrophobicContact CD1-CE2 3.95Å; L463-F897 HydrophobicContact CG-CE2 4.43Å; L463-F897 WeakPolarHBondContact O-CZ 3.35Å |
| 464 | N | 29.2 | Very low | 31.8 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | | | trans | -64 | 123 | 171.8 | -104 | -60.1 | 0 | 0 | 0 | 110.3 | | |
| 465 | Y | 30.3 | Very low | 31.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 44% | 0.443 | 68% | 0.683 | S | S | . | * | | | trans | -147.5 | 97.8 | 146.4 | -83.6 | -79.7 | 0 | 0 | 0 | 111.1 | L463 N895 F897 L898 | L463-Y465 PolarHBondContact O-N 3.46Å; Y465-N895 PolarHBondContact OH-ND2 2.88Å; Y465-F897 HydrophobicContact CD1-CB 4.46Å; Y465-F897 HydrophobicContact CD2-CB 3.4Å; Y465-F897 AromaticContact CD2-CD1 3.64Å; Y465-F897 HydrophobicContact CD2-CD1 3.64Å; Y465-F897 AromaticContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CE1 4.13Å; Y465-F897 AromaticContact CD2-CE2 3.91Å; Y465-F897 HydrophobicContact CD2-CE2 3.91Å; Y465-F897 AromaticContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CZ 4.25Å; Y465-F897 HydrophobicContact CE2-CB 3.89Å; Y465-F897 AromaticContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CE2 4.41Å; Y465-F897 AromaticContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CG-CB 3.73Å; Y465-F897 AromaticContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD2 4.39Å; Y465-F897 AromaticContact CG-CG 3.8Å; Y465-F897 HydrophobicContact CG-CG 3.8Å; Y465-L898 HydrophobicContact CD1-CD1 3.48Å; Y465-L898 VanDerWaalsContact CD1-CD1 3.48Å; Y465-L898 HydrophobicContact CD1-CG 4.26Å; Y465-L898 HydrophobicContact CE1-CD1 4.25Å; Y465-L898 HydrophobicContact CG-CD1 4.07Å; Y465-L898 HydrophobicContact CG-CG 4.39Å |
| 466 | S | 27.9 | Very low | 31.7 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | | | trans | -66.5 | 171.5 | 141.9 | -72.3 | 0 | 0 | 0 | 0 | 110 | | |
| 467 | L | 33.1 | Very low | 32 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | | | trans | 90.4 | 62.5 | 167.6 | -50.3 | 176.8 | 0 | 0 | 0 | 119.3 | L898 | L467-L898 HydrophobicContact CB-CD1 4.36Å; L467-L898 VanDerWaalsContact O-CD1 3.25Å; L467-L898 WeakPolarHBondContact O-CD1 3.49Å |
| 468 | L | 34.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 127 Ų | 127 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | | | | -165.7 | 130.5 | 121.1 | -129.6 | 66.5 | 0 | 0 | 0 | 114 | T899 M900 | L468-T899 HydrophobicContact CB-CG2 4.02Å; L468-T899 HydrophobicContact CD2-CG2 4.17Å; L468-M900 HydrophobicContact CD2-CG 3.72Å; L468-M900 HydrophobicContact CD2-SD 4.14Å |
| 469 | S | 32.2 | Very low | 32.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | | | trans | -99.9 | 166.2 | 171.1 | -43.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 470 | K | 34.6 | Very low | 33.4 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 70% | 0.704 | 69% | 0.689 | S | S | * | * | | | trans | 81.7 | 140.1 | 176.4 | -48.5 | 158.4 | -175 | 172.3 | 0 | 112.2 | | |
| 471 | S | 33.5 | Very low | 34.1 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | | | cis | -154.3 | 127.2 | 9.1 | 178.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 472 | Y | 31.3 | Very low | 35.1 | Very low | 225 Ų | 225 | 123.9 Ų | 123.9 | 88% | 0.882 | 70% | 0.695 | S | S | * | * | | | trans | 44.7 | 133.6 | 151 | -75 | -93.5 | 0 | 0 | 0 | 123.5 | | |
| 473 | G | 34.6 | Very low | 35.6 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | | | trans | 119.7 | 106.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 474 | I | 34.5 | Very low | 35.9 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | | | cis | 62.1 | 114 | 40.6 | -51.1 | 179.6 | 0 | 0 | 0 | 110 | | |
| 475 | S | 34.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | cis | -149 | 179.2 | 15.9 | -96.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 476 | Q | 33.2 | Very low | 38 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | cis | 171.2 | 177.3 | -34.1 | -152.5 | -151.1 | 98.2 | 0 | 0 | 106.7 | | |
| 477 | L | 34.1 | Very low | 39.1 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 76.5 | 132.4 | 172 | -51.5 | 155.1 | 0 | 0 | 0 | 116.1 | | |
| 478 | S | 40.8 | Very low | 40.1 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | cis | -164 | 147.8 | -12.1 | -82.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 479 | P | 35.9 | Very low | 41 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -112.3 | 160.4 | 144.8 | 36.3 | -29.1 | 0 | 0 | 0 | 112.1 | | |
| 480 | P | 44.8 | Very low | 41.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -104.8 | -162.3 | -174.9 | 46.9 | -39 | 0 | 0 | 0 | 111.5 | | |
| 481 | P | 42.7 | Very low | 42 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | | -122.8 | 155.1 | -107.1 | 30.8 | -9.9 | 0 | 0 | 0 | 115.9 | | |
| 482 | T | 51.2 | Low | 42.1 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -120.4 | 136.4 | 175.2 | -38.5 | 0 | 0 | 0 | 0 | 111 | | |
| 483 | P | 42.3 | Very low | 42.4 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | | | trans | -66.8 | 141.7 | 174.7 | -19.4 | 32.8 | 0 | 0 | 0 | 112.5 | | |
| 484 | L | 39.8 | Very low | 42.6 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -113.3 | 135 | -178.5 | -77.3 | 164.6 | 0 | 0 | 0 | 111.7 | | |
| 485 | H | 46.9 | Very low | 42.9 | Very low | 191 Ų | 191 | 134 Ų | 134 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | | | trans | -141.8 | 141 | 153.5 | -137.2 | -122.4 | 0 | 0 | 0 | 110.4 | | |
| 486 | P | 56.2 | Low | 43.5 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | trans | -111.2 | 159.2 | -157.3 | 40.2 | -34.1 | 0 | 0 | 0 | 115.9 | | |
| 487 | P | 51.5 | Low | 44.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -80.4 | 161.7 | 168.7 | 33.9 | -35.3 | 0 | 0 | 0 | 113.5 | | |
| 488 | P | 52.9 | Low | 44.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -91.8 | 158 | -172.1 | 35.9 | -36.5 | 0 | 0 | 0 | 115.7 | | |
| 489 | P | 54.3 | Low | 44.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -105.1 | 162.4 | 178.3 | 39.6 | -34.6 | 0 | 0 | 0 | 115.2 | | |
| 490 | P | 47.4 | Very low | 45.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -82.8 | 164.8 | 179 | 34.2 | -36.9 | 0 | 0 | 0 | 114.7 | | |
| 491 | P | 39.2 | Very low | 44.8 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -101.7 | 151.7 | -173.4 | 38.2 | -34.1 | 0 | 0 | 0 | 115.3 | | |
| 492 | L | 37.2 | Very low | 44.5 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | | | trans | -142.1 | 155.5 | 153.7 | -83.5 | -178 | 0 | 0 | 0 | 110.1 | | |
| 493 | T | 37.5 | Very low | 43.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | | | trans | -127.2 | 136.1 | -167.9 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 494 | L | 37.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -164.9 | 167.8 | 136.5 | -105.5 | 165.5 | 0 | 0 | 0 | 110.7 | | |
| 495 | Q | 41.2 | Very low | 43.2 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -112.5 | 171.2 | -154.5 | -86.5 | -157.4 | 29.9 | 0 | 0 | 115.7 | | |
| 496 | P | 47.3 | Very low | 42.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | trans | -119.7 | -132.7 | -153.8 | 42.2 | -26.4 | 0 | 0 | 0 | 112.2 | | |
| 497 | P | 50.7 | Low | 41.2 | Very low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | | -102 | -165.9 | -62.7 | 28.4 | -8.3 | 0 | 0 | 0 | 110.9 | | |
| 498 | V | 41.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | -167.4 | 129.8 | 67.9 | 170.6 | 0 | 0 | 0 | 0 | 112 | | |
| 499 | L | 43 | Very low | 38.9 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | -0.6 | 171 | 141.8 | -58.7 | 167.5 | 0 | 0 | 0 | 121.3 | | |
| 500 | P | 45.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | | | cis | -142.7 | -174.8 | -45.7 | 41.8 | -25.2 | 0 | 0 | 0 | 113.4 | | |
| 501 | S | 36.6 | Very low | 37 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | | 155.6 | 155.9 | 122.1 | 57 | 0 | 0 | 0 | 0 | 115.7 | | |
| 502 | S | 35.7 | Very low | 36.5 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | 42.4 | 108.1 | 157.3 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 503 | S | 36.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | | 102 | 145.9 | 89.2 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 504 | S | 36.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | cis | -160.8 | 177.7 | -4.1 | 37.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 505 | S | 32.3 | Very low | 35.5 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -7.1 | 129 | 164.4 | 51.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 506 | S | 31.2 | Very low | 35 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | | 74.6 | 149.3 | 52.3 | -164.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 507 | S | 29.8 | Very low | 34.2 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 59.4 | 116.3 | -166.3 | -83.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 508 | A | 32.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | | | cis | 64.1 | 117.3 | 45.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 509 | Y | 25.7 | Very low | 32.6 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | | | trans | -172.4 | 149.6 | 130.2 | -124.1 | -102.8 | 0 | 0 | 0 | 113 | | |
| 510 | T | 29.6 | Very low | 32 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | | | trans | 42.1 | 112.6 | 159.6 | 32.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 511 | Q | 31.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | | | | -175.6 | 131.5 | 102.3 | -94.5 | 150.7 | 105.1 | 0 | 0 | 108.7 | | |
| 512 | R | 28.1 | Very low | 30.8 | Very low | 210 Ų | 210 | 135.7 Ų | 135.7 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | | | cis | 81.4 | 123.7 | 35.8 | -158.2 | -169.1 | -156.4 | -132.9 | 8.3 | 113 | | |
| 513 | L | 29 | Very low | 30.3 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 67% | 0.665 | 72% | 0.721 | S | S | * | * | | | trans | 71.7 | 120.4 | -179.9 | -61.7 | 139.9 | 0 | 0 | 0 | 113.2 | | |
| 514 | H | 33.2 | Very low | 29.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | | 68.1 | 101.8 | 63.7 | -62.5 | -172.9 | 0 | 0 | 0 | 113.8 | | |
| 515 | M | 28.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | | | | -156.6 | 131.6 | 119 | -80.3 | -148.2 | -178.4 | 0 | 0 | 106.5 | | |
| 516 | T | 31.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | cis | 72.7 | 142.8 | 37 | -42.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 517 | K | 28.8 | Very low | 29 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | trans | 78.7 | 141.5 | -174.1 | -61.1 | 171.4 | -175 | 170.3 | 0 | 112.1 | | |
| 518 | Q | 29.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 142 Ų | 142 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | -157 | 175.6 | 2.2 | -111.9 | 164.9 | -16 | 0 | 0 | 107.1 | | |
| 519 | Q | 30.2 | Very low | 29.5 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | | | cis | -159.6 | 160.4 | 13.2 | -132.8 | 168.7 | 1.7 | 0 | 0 | 108.7 | | |
| 520 | Q | 30 | Very low | 29.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | 68.6 | 144 | 148.9 | -69.3 | 162.5 | 12 | 0 | 0 | 119.1 | | |
| 521 | Q | 29.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | cis | -156.7 | 164 | -14.3 | -127.1 | 166.4 | -6.1 | 0 | 0 | 112.5 | | |
| 522 | L | 26.6 | Very low | 29.3 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | | | trans | 18.6 | 116.9 | 142.3 | -68 | 166.3 | 0 | 0 | 0 | 117.5 | | |
| 523 | A | 26.2 | Very low | 29.4 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | | | | 97.8 | 144.3 | 62.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 524 | F | 25.7 | Very low | 29.4 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | | | trans | 69.4 | 142.6 | 153.7 | -90 | -120.6 | 0 | 0 | 0 | 119.8 | | |
| 525 | L | 28.3 | Very low | 29.2 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | 69.6 | 124.2 | 169 | -54.6 | 174.8 | 0 | 0 | 0 | 114.7 | | |
| 526 | N | 27.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | | 74.2 | 147.8 | 57.1 | -67.3 | -20.7 | 0 | 0 | 0 | 113.2 | | |
| 527 | S | 27 | Very low | 29.1 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | | | trans | 77.5 | 113.4 | -170.5 | -33.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 528 | T | 32.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | | | cis | 44.3 | 119.4 | 36.9 | 34.5 | 0 | 0 | 0 | 0 | 113.1 | N530 | T528-N530 HydrophobicContact CG2-CB 3.95Š|
| 529 | P | 38 | Very low | 29.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | | | | -109.4 | 139.5 | 73.4 | 35.6 | -35.8 | 0 | 0 | 0 | 112.1 | | |
| 530 | N | 26.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | | | cis | 68.2 | 145.1 | 30.4 | -159.6 | -3.9 | 0 | 0 | 0 | 113.2 | T528 | T528-N530 HydrophobicContact CG2-CB 3.95Š|
| 531 | R | 28.9 | Very low | 29.3 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | | | trans | 70.5 | 124.8 | 175.8 | -52.4 | 178.9 | -171.7 | -177.5 | 1.6 | 113.4 | | |
| 532 | N | 28.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | cis | -134.9 | 137.4 | 3.2 | -93.9 | -22.6 | 0 | 0 | 0 | 108.9 | | |
| 533 | S | 29.1 | Very low | 29.8 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | | 62.5 | 127.1 | 87 | 113.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 534 | K | 29.2 | Very low | 30.3 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | | | cis | -150.5 | 152.6 | 32.8 | -116.7 | -171.2 | 178.4 | 178.4 | 0 | 109.6 | | |
| 535 | V | 29.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 130 Ų | 130 | 65% | 0.648 | 69% | 0.69 | S | S | * | * | | | | 49.1 | 115.8 | 95.9 | 164.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 536 | N | 28.7 | Very low | 30.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | | | cis | -156.3 | 175.4 | 17.2 | -122.9 | 26.8 | 0 | 0 | 0 | 112.7 | | |
| 537 | D | 29.9 | Very low | 31.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | | | | 30.6 | 140.3 | 89.4 | -46.5 | -28 | 0 | 0 | 0 | 113 | | |
| 538 | T | 30.8 | Very low | 31.3 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | cis | -178.6 | -177.7 | 7.3 | 19.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 539 | H | 31.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 135 Ų | 135 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | | | trans | 60.3 | 110.4 | 135.9 | -71.7 | -177.3 | 0 | 0 | 0 | 118.1 | | |
| 540 | H | 30.4 | Very low | 31.3 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | | | | 100.5 | 169.5 | 74.5 | -80.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 541 | S | 31 | Very low | 31.7 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 57% | 0.573 | 69% | 0.687 | S | S | * | * | | | trans | 58.4 | 108.9 | 139.8 | 63 | 0 | 0 | 0 | 0 | 117.5 | | |
| 542 | H | 33.6 | Very low | 32 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 87% | 0.866 | 68% | 0.684 | S | S | * | * | | | | 85 | 166 | 100.7 | -70 | 4 | 0 | 0 | 0 | 112.9 | | |
| 543 | S | 33 | Very low | 32.3 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 52% | 0.517 | 69% | 0.691 | S | S | . | * | | | cis | -173.8 | 159.8 | -34.6 | -174.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 544 | H | 35.4 | Very low | 32.8 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | | | trans | 60.8 | 177.1 | 168.5 | -54.9 | -56.2 | 0 | 0 | 0 | 114.7 | | |
| 545 | H | 32.9 | Very low | 33.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | | | cis | -152.6 | 175.4 | -49.1 | -104.7 | -35.9 | 0 | 0 | 0 | 107.1 | | |
| 546 | H | 32.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | 65.8 | 165.7 | 163.9 | -91.3 | -2.2 | 0 | 0 | 0 | 114.9 | | |
| 547 | H | 33.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 61% | 0.606 | 72% | 0.717 | S | S | * | * | | | cis | -165.8 | 137.4 | -39.9 | -135.2 | 24.3 | 0 | 0 | 0 | 107 | | |
| 548 | Q | 30.7 | Very low | 34.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | | | trans | 63 | 173.7 | 161 | -53.4 | 179.7 | 17.2 | 0 | 0 | 114.6 | | |
| 549 | H | 35.8 | Very low | 34.8 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | | | cis | -148.4 | 151.1 | -43.9 | -118.5 | -72.6 | 0 | 0 | 0 | 109.2 | | |
| 550 | N | 35.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | | | trans | 66 | 111.1 | 150.2 | -57.3 | -15.2 | 0 | 0 | 0 | 123.3 | | |
| 551 | N | 34.9 | Very low | 35.1 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | | | | 67.3 | 123.4 | 122.6 | -54 | -10.6 | 0 | 0 | 0 | 123.9 | | |
| 552 | G | 35.4 | Very low | 35.2 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | 139.4 | 92.6 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 553 | N | 34 | Very low | 35.2 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | | | trans | 57.2 | 149.7 | 153.8 | -63 | 2.3 | 0 | 0 | 0 | 120.8 | | |
| 554 | S | 40.1 | Very low | 35.4 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | cis | -166.6 | 138.1 | -18.9 | -92.8 | 0 | 0 | 0 | 0 | 112 | | |
| 555 | L | 35.7 | Very low | 35.4 | Very low | 176 Ų | 176 | 121.2 Ų | 121.2 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | | | trans | 70.2 | 149.2 | 161.2 | -60.3 | 172.6 | 0 | 0 | 0 | 120.6 | | |
| 556 | S | 35.7 | Very low | 35.3 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | | | trans | -170.3 | -179.6 | -171.2 | 56.8 | 0 | 0 | 0 | 0 | 110 | | |
| 557 | S | 38.2 | Very low | 35.4 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | | | | -165.2 | 138.3 | -52.2 | -172.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 558 | L | 40.7 | Very low | 35.2 | Very low | 156 Ų | 156 | 117.6 Ų | 117.6 | 82% | 0.817 | 69% | 0.694 | S | S | * | * | | | trans | -125.6 | 133.8 | -135 | -122.4 | -178.8 | 0 | 0 | 0 | 119 | L1036 | L558-L1036 WeakPolarHBondContact O-CD2 3.14Š|
| 559 | G | 39.7 | Very low | 35.3 | Very low | 25 Ų | 25 | 117.1 Ų | 117.1 | 26% | 0.258 | 70% | 0.695 | S | S | . | * | | | trans | 103.2 | 119.4 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | L1036 P1037 | G559-L1036 WeakPolarHBondContact O-CA 3.31Å; G559-L1036 WeakPolarHBondContact O-CD2 3.48Å; G559-P1037 CarbonylContact O-C 3.51Å; G559-P1037 VanDerWaalsContact O-CA 3.28Å; G559-P1037 WeakPolarHBondContact O-CA 3.49Å |
| 560 | C | 32.9 | Very low | 35.3 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 46% | 0.459 | 70% | 0.698 | S | S | . | * | | | trans | -144 | 141.8 | 157 | 55.5 | 0 | 0 | 0 | 0 | 116.2 | P1037 | C560-P1037 WeakPolarHBondContact CA-O 3.3Å; C560-P1037 WeakPolarHBondContact CB-O 3.46Å |
| 561 | N | 34.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 58.1 | 142.1 | 170.2 | -63.9 | -16 | 0 | 0 | 0 | 121.1 | P1037 L1038 | N561-P1037 PolarHBondContact N-O 3.4Å; N561-P1037 PolarHBondContact OD1-O 3.07Å; N561-P1037 VanDerWaalsContact OD1-O 3.14Å; N561-L1038 VanDerWaalsContact N-CG 3.34Å; N561-L1038 VanDerWaalsContact O-CD1 3.32Å; N561-L1038 WeakPolarHBondContact O-CD1 3.31Å |
| 562 | S | 33.1 | Very low | 35.3 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | | | trans | -91.4 | 164.1 | -159.7 | -46.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 563 | S | 33.4 | Very low | 35.3 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | | | cis | -161.4 | 137.6 | -24.6 | -92.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 564 | P | 38 | Very low | 35.6 | Very low | 119 Ų | 119 | 113.7 Ų | 113.7 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | | | trans | -90.1 | -165.9 | 164.3 | 43.6 | -38.3 | 0 | 0 | 0 | 108.9 | | |
| 565 | P | 35.6 | Very low | 35.3 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | | | cis | -135.4 | -165.1 | -3.7 | 33.8 | -10 | 0 | 0 | 0 | 113.8 | | |
| 566 | I | 29.9 | Very low | 35.1 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | | | trans | 59.4 | 119.4 | 136.2 | -82.2 | 161.9 | 0 | 0 | 0 | 120.3 | | |
| 567 | H | 35.1 | Very low | 34.7 | Very low | 169 Ų | 169 | 115.2 Ų | 115.2 | 78% | 0.782 | 65% | 0.645 | S | S | * | * | | | trans | 58.3 | 159.8 | 148.5 | -68.8 | -126.1 | 0 | 0 | 0 | 118.2 | | |
| 568 | S | 31 | Very low | 34.4 | Very low | 76 Ų | 76 | 115.9 Ų | 115.9 | 53% | 0.531 | 65% | 0.645 | S | S | . | * | | | cis | -175.5 | 169.7 | -24.4 | -87.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 569 | I | 32.2 | Very low | 33.8 | Very low | 146 Ų | 146 | 115 Ų | 115 | 75% | 0.749 | 64% | 0.639 | S | S | * | * | | | trans | 74.9 | 108.1 | 147.4 | -79 | 158.5 | 0 | 0 | 0 | 118.5 | | |
| 570 | H | 35.7 | Very low | 33.4 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | | | trans | 68.2 | 161.7 | 141.1 | -68.1 | 70.1 | 0 | 0 | 0 | 120.8 | | |
| 571 | S | 34.8 | Very low | 33.3 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 51% | 0.51 | 67% | 0.669 | S | S | . | * | | | cis | -177.5 | 146.5 | -42 | -97.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 572 | N | 36.2 | Very low | 33 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | | | trans | 65.5 | 164.5 | 155.6 | -59.1 | 5.5 | 0 | 0 | 0 | 115.5 | | |
| 573 | N | 35 | Very low | 32.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | | | cis | -154.1 | 173.4 | -7.2 | -134.8 | 30.9 | 0 | 0 | 0 | 110.9 | | |
| 574 | D | 39.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | | | trans | 65.8 | 155.7 | 144.5 | -69.7 | -34.9 | 0 | 0 | 0 | 121.4 | | |
| 575 | N | 33.3 | Very low | 32.6 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | | | cis | -169.8 | 165.1 | -39.5 | -138.6 | -42.8 | 0 | 0 | 0 | 109.8 | | |
| 576 | Y | 31.8 | Very low | 32.5 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | | | trans | 57.2 | 120.2 | 164.6 | -56.7 | -54 | 0 | 0 | 0 | 117.9 | | |
| 577 | N | 28.8 | Very low | 32.8 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | | | | 66.1 | 152.4 | 73.4 | -74.8 | -8 | 0 | 0 | 0 | 114.8 | | |
| 578 | T | 30.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | | | trans | 90.9 | 135.8 | 172.2 | -42.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 579 | I | 29.1 | Very low | 32.9 | Very low | 136 Ų | 136 | 121 Ų | 121 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | | | cis | -168 | 127.1 | -37.4 | -118.8 | 159.7 | 0 | 0 | 0 | 108.7 | | |
| 580 | T | 31 | Very low | 33.1 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | | | trans | 62.5 | 161.5 | 153.7 | 71.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 581 | N | 29.5 | Very low | 33.3 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | | | trans | 85.9 | 103.9 | 139.2 | -74.3 | -32.4 | 0 | 0 | 0 | 122.6 | | |
| 582 | N | 28.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 113.2 Ų | 113.2 | 69% | 0.69 | 62% | 0.62 | S | S | * | * | | | | 82.5 | 105.7 | 120.7 | -71.7 | -39.5 | 0 | 0 | 0 | 122.8 | | |
| 583 | K | 30.9 | Very low | 34 | Very low | 181 Ų | 181 | 113.2 Ų | 113.2 | 79% | 0.787 | 63% | 0.626 | S | S | * | * | | | | 91.1 | 126.5 | 104.8 | -166.1 | 173.4 | -173.8 | 170.7 | 0 | 119.8 | | |
| 584 | S | 34.3 | Very low | 34.1 | Very low | 79 Ų | 79 | 115.9 Ų | 115.9 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | | | trans | 73.1 | 158.8 | 160.2 | 81.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 585 | N | 31.2 | Very low | 33.9 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 37% | 0.369 | 64% | 0.638 | S | S | . | * | | | cis | -168 | 166.2 | -24.9 | -106.8 | -24.4 | 0 | 0 | 0 | 109.2 | N1067 | N585-N1067 PolarHBondContact OD1-ND2 2.83Š|
| 586 | Y | 34.2 | Very low | 34 | Very low | 188 Ų | 188 | 116.6 Ų | 116.6 | 74% | 0.737 | 65% | 0.646 | S | S | * | * | | | trans | 73.8 | 155.9 | 162.3 | -44.6 | -64.2 | 0 | 0 | 0 | 118.1 | N1067 | Y586-N1067 PolarHBondContact N-ND2 2.61Š|
| 587 | A | 35.5 | Very low | 34.1 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | | | cis | -174.1 | 162.9 | -29.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 588 | S | 34.3 | Very low | 34.3 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | | | trans | 73.2 | 160.6 | 155.1 | 78 | 0 | 0 | 0 | 0 | 119.6 | | |
| 589 | T | 34.3 | Very low | 34.6 | Very low | 68 Ų | 68 | 114 Ų | 114 | 42% | 0.417 | 64% | 0.636 | S | S | . | * | | | cis | -146.4 | -117 | 3 | -12.1 | 0 | 0 | 0 | 0 | 115.1 | T1058 | T589-T1058 WeakPolarHBondContact O-CB 3.39Å; T589-T1058 PolarHBondContact O-N 3.28Å; T589-T1058 PolarHBondContact O-OG1 2.98Å |
| 590 | S | 35.7 | Very low | 34.9 | Very low | 64 Ų | 64 | 114.4 Ų | 114.4 | 45% | 0.448 | 64% | 0.639 | S | S | . | * | | | trans | -132.2 | 170.8 | -142.2 | -68.3 | 0 | 0 | 0 | 0 | 119.6 | T1057 | S590-T1057 WeakPolarHBondContact O-CA 3.43Š|
| 591 | P | 41 | Very low | 34.9 | Very low | 53 Ų | 53 | 113.4 Ų | 113.4 | 34% | 0.344 | 64% | 0.637 | S | S | . | * | | | trans | -138.6 | -124 | -163 | 39.6 | -14.1 | 0 | 0 | 0 | 113.2 | T1058 L1059 | P591-T1058 VanDerWaalsContact CG-O 3.23Å; P591-T1058 WeakPolarHBondContact CG-O 3.45Å; P591-L1059 VanDerWaalsContact CD-CD1 3.42Å; P591-L1059 HydrophobicContact CG-CB 3.56Å; P591-L1059 HydrophobicContact CG-CD1 3.8Å; P591-L1059 HydrophobicContact CG-CG 3.6Å |
| 592 | P | 46.1 | Very low | 35.2 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | | | | -104.4 | -165 | -80.5 | 38.9 | -21.1 | 0 | 0 | 0 | 113 | | |
| 593 | P | 39.7 | Very low | 35.2 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | | | | -146.2 | 137.6 | 114.5 | 34.3 | -17.4 | 0 | 0 | 0 | 115.2 | | |
| 594 | Q | 36.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 112.1 Ų | 112.1 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | | | | 70.4 | 156.4 | 91 | -51.6 | -145.6 | 40.7 | 0 | 0 | 115.7 | | |
| 595 | L | 35.7 | Very low | 34.9 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 71% | 0.712 | 64% | 0.641 | S | S | * | * | | | cis | -157.2 | 133.7 | 23.1 | -153.9 | 125.2 | 0 | 0 | 0 | 112.7 | | |
| 596 | S | 34.6 | Very low | 34.8 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | | | trans | 65.6 | 151.3 | 147.1 | -69.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 597 | S | 35.4 | Very low | 34.4 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | | | cis | -171.3 | 158.4 | -11.1 | 53 | 0 | 0 | 0 | 0 | 114.6 | | |
| 598 | R | 32.8 | Very low | 34 | Very low | 230 Ų | 230 | 115.9 Ų | 115.9 | 87% | 0.868 | 65% | 0.649 | S | S | * | * | | | trans | 72.3 | 151.4 | 146.6 | -82 | 165.8 | 143.8 | 155.7 | -6.9 | 118.9 | | |
| 599 | S | 35.6 | Very low | 33.6 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | | | cis | -172.5 | 179.9 | -27.3 | 47.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 600 | N | 36 | Very low | 33.3 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | | | cis | -155.9 | 166.2 | 22.6 | -49.3 | -90.3 | 0 | 0 | 0 | 107.9 | | |
| 601 | S | 32 | Very low | 33.1 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | | | cis | -167.9 | 141.7 | -29.2 | -85.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 602 | P | 35.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | | | trans | -91.3 | 151.5 | 174.1 | 36.1 | -33.9 | 0 | 0 | 0 | 112.9 | | |
| 603 | H | 29.6 | Very low | 32 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | | | trans | -169 | 152.8 | -175.5 | -92.7 | -50.3 | 0 | 0 | 0 | 108 | | |
| 604 | Q | 30.5 | Very low | 31.7 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | | | cis | -147.3 | 153.9 | 2.2 | -93.1 | -53.3 | 31.2 | 0 | 0 | 109.1 | | |
| 605 | L | 27.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | | | trans | 46.6 | 154.5 | 131.7 | -56 | 174.8 | 0 | 0 | 0 | 122.5 | | |
| 606 | L | 27.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | | | cis | -178.5 | 154.2 | -19.5 | -172.7 | 77.8 | 0 | 0 | 0 | 108.7 | | |
| 607 | N | 26.6 | Very low | 30.9 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | | | trans | 60.7 | 126.7 | 150 | -86.5 | -3.2 | 0 | 0 | 0 | 122.1 | | |
| 608 | N | 27.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | | | trans | 69 | 162.3 | 130.6 | -63.3 | -19.6 | 0 | 0 | 0 | 117.8 | | |
| 609 | R | 26.8 | Very low | 30.6 | Very low | 205 Ų | 205 | 129.4 Ų | 129.4 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | | | cis | -170.9 | 166.6 | -14.6 | -108 | -174.8 | 176.5 | -142.4 | -3.4 | 106.6 | | |
| 610 | L | 27.6 | Very low | 30.3 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | | | cis | -168.4 | 169.9 | -13.9 | -169.5 | 67.2 | 0 | 0 | 0 | 105.8 | | |
| 611 | V | 31.3 | Very low | 30.1 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | | | trans | 72 | 107.6 | 159.4 | 140.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 612 | S | 30.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | | 85.3 | 153.9 | 81.2 | -78.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 613 | S | 33.1 | Very low | 30.4 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | | | cis | -170.3 | 142.4 | -16.4 | -97.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 614 | N | 32.8 | Very low | 30.7 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | | | trans | 66.9 | 173 | 163 | -44.9 | -10.7 | 0 | 0 | 0 | 113.4 | | |
| 615 | N | 31.2 | Very low | 31.2 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | cis | -150.1 | 171.2 | 8.8 | -149 | 13 | 0 | 0 | 0 | 113.1 | | |
| 616 | L | 31.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | | | trans | -17.8 | 158.8 | 149.2 | -60 | 166.9 | 0 | 0 | 0 | 116.6 | | |
| 617 | N | 29.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | | | cis | -171.1 | -173.4 | 23.8 | -140.4 | -3.7 | 0 | 0 | 0 | 113.2 | | |
| 618 | Y | 31.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | | | trans | 67.6 | 123.5 | 164.4 | -76 | -76.3 | 0 | 0 | 0 | 116.6 | | |
| 619 | L | 28.7 | Very low | 33.3 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | | | cis | 75.4 | 142 | 20 | -158.7 | 69.6 | 0 | 0 | 0 | 115.4 | | |
| 620 | S | 29.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | | | trans | 64.4 | 146.8 | 172.9 | 54 | 0 | 0 | 0 | 0 | 117.1 | | |
| 621 | S | 32.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | | | cis | -174 | 176.8 | -23.9 | -156.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 622 | M | 36.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 77% | 0.768 | 69% | 0.687 | S | S | * | * | | | trans | 72.6 | 153.5 | 154.8 | -61.8 | 150.9 | 154.6 | 0 | 0 | 117.5 | | |
| 623 | D | 35.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | | | cis | -161.8 | 148.6 | -20.6 | -90.8 | -17.9 | 0 | 0 | 0 | 108 | | |
| 624 | D | 36.4 | Very low | 36.2 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | | | trans | 50.8 | 173.3 | 145.2 | -54.6 | -29.3 | 0 | 0 | 0 | 125.1 | | |
| 625 | V | 41.9 | Very low | 36.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | | | trans | 79.3 | 88.5 | 160.2 | -56 | 0 | 0 | 0 | 0 | 123.5 | | |
| 626 | D | 37.9 | Very low | 37 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | | | | 71.1 | 153.5 | 104.5 | -55.8 | -28.4 | 0 | 0 | 0 | 126.4 | | |
| 627 | E | 38.8 | Very low | 37.7 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | | | trans | 86.8 | 101.7 | 144.8 | -86.6 | 169.9 | -169.5 | 0 | 0 | 124 | | |
| 628 | E | 36.6 | Very low | 38 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 59% | 0.589 | 71% | 0.706 | S | S | * | * | | | | 80.1 | 132.7 | 115.4 | -90.9 | -166.2 | -164.3 | 0 | 0 | 125.3 | L203 | L203-E628 WeakPolarHBondContact CD2-O 3.2Å; L203-E628 WeakPolarHBondContact CG-O 3.45Å |
| 629 | N | 38.6 | Very low | 38.6 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 36% | 0.364 | 71% | 0.713 | S | S | . | * | | | trans | 79 | 154.5 | 146.2 | -57.5 | -9.8 | 0 | 0 | 0 | 118.5 | T204 | T204-N629 WeakPolarHBondContact CG2-O 3.36Š|
| 630 | D | 38.8 | Very low | 38.8 | Very low | 103 Ų | 103 | 135 Ų | 135 | 55% | 0.551 | 71% | 0.714 | S | S | * | * | | | cis | -152 | 138.6 | -8.7 | -103.1 | -18.3 | 0 | 0 | 0 | 111.7 | | |
| 631 | E | 41.2 | Very low | 39.3 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | | | trans | 31.8 | 159.5 | 130.5 | -150.6 | 162.9 | -119.4 | 0 | 0 | 125.2 | | |
| 632 | M | 45.4 | Very low | 39.4 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | 96.2 | 135.6 | 151 | -154.5 | -174.6 | -176.6 | 0 | 0 | 118.8 | | |
| 633 | D | 46.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | cis | -171.3 | -173.8 | -28 | -158.6 | 1.8 | 0 | 0 | 0 | 110.5 | | |
| 634 | S | 38.6 | Very low | 39.1 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 84.2 | 83.6 | 159.3 | 63.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 635 | D | 40.1 | Very low | 39 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | | 64.6 | 149.9 | 103.5 | -59 | -31.1 | 0 | 0 | 0 | 125.2 | | |
| 636 | E | 41.6 | Very low | 38.6 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | trans | 66.4 | 140.4 | 152.6 | -78.5 | -176.8 | 163 | 0 | 0 | 119.6 | | |
| 637 | V | 45.3 | Very low | 38.4 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | cis | -140.7 | 156.5 | 3.4 | -112.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 638 | D | 36.9 | Very low | 38.1 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -70 | 156.6 | 170 | -44.2 | -91 | 0 | 0 | 0 | 113 | | |
| 639 | E | 42.5 | Very low | 38.3 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | | -156.4 | 131.6 | 124.7 | -128.8 | 175.7 | -148.2 | 0 | 0 | 110.4 | | |
| 640 | E | 34.2 | Very low | 37.9 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -81.5 | 157.2 | 170.1 | -57.8 | 174.6 | 131.7 | 0 | 0 | 110 | | |
| 641 | I | 40.5 | Very low | 37.6 | Very low | 167 Ų | 167 | 147 Ų | 147 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -168.2 | 142.7 | 139.7 | -102.9 | 152.2 | 0 | 0 | 0 | 109.7 | | |
| 642 | E | 33 | Very low | 37.3 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -90.9 | 171.5 | -174.7 | -54.4 | -177.3 | 117.6 | 0 | 0 | 113 | | |
| 643 | G | 31.9 | Very low | 36.6 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 92 | 161.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 644 | E | 35 | Very low | 35.9 | Very low | 200 Ų | 200 | 144 Ų | 144 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | cis | -141.5 | -165.4 | -6.9 | -72.1 | -160.8 | 148.3 | 0 | 0 | 110.5 | | |
| 645 | E | 33.1 | Very low | 36 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -74.9 | 178.1 | -169.1 | -52.1 | -174.5 | 139 | 0 | 0 | 116 | | |
| 646 | M | 34.8 | Very low | 36.4 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | 75.8 | 158.6 | 162.5 | -32.6 | -161.2 | -173.1 | 0 | 0 | 115.7 | | |
| 647 | D | 33.6 | Very low | 36.9 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | cis | -145.3 | -163.3 | 4.3 | 105.9 | -67.3 | 0 | 0 | 0 | 114.3 | | |
| 648 | N | 31.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 150.2 | -168.8 | -51.2 | -91.8 | 0 | 0 | 0 | 115.6 | | |
| 649 | S | 40.6 | Very low | 39.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | | -153.6 | 119.1 | 123.1 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 650 | S | 31.1 | Very low | 40.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -82.7 | 120.5 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 111 | | |
| 651 | T | 32.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | trans | -158.8 | 137.8 | 158.9 | 1.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 652 | H | 34.8 | Very low | 44.9 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | | | trans | 58.5 | 104.4 | 163.9 | -53.7 | 113.3 | 0 | 0 | 0 | 118.4 | | |
| 653 | G | 29.1 | Very low | 47.3 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | | | trans | -79.2 | 128.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 654 | N | 33.3 | Very low | 49.9 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | | | trans | -103.1 | 124.3 | 165 | -83.9 | -45.7 | 0 | 0 | 0 | 110.5 | H656 | N654-H656 PolarHBondContact O-N 3.37Å; N654-H656 PolarHBondContact O-ND1 3.39Å |
| 655 | N | 38.8 | Very low | 52.4 | Low | 161 Ų | 161 | 117 Ų | 117 | 86% | 0.861 | 62% | 0.617 | S | S | * | * | | | trans | -65.8 | 104.7 | 165.7 | -83.3 | -80.1 | 0 | 0 | 0 | 108.1 | Q657 | N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 3.44Å |
| 656 | H | 49.7 | Very low | 54.9 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | | | trans | -71 | 88.2 | 175.6 | -76.2 | 55.8 | 0 | 0 | 0 | 108.9 | N654 W658 | N654-H656 PolarHBondContact O-N 3.37Å; N654-H656 PolarHBondContact O-ND1 3.39Å; H656-W658 VanDerWaalsContact O-CD1 3.31Å; H656-W658 PolarHBondContact O-N 2.89Å |
| 657 | Q | 51.2 | Low | 57.6 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 84% | 0.841 | 56% | 0.562 | S | S | * | * | | | trans | -80.1 | 71.6 | 177.2 | -174.1 | 153.1 | -54.3 | 0 | 0 | 109.7 | N655 T659 | N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 3.44Å; Q657-T659 PolarHBondContact O-N 3.45Å |
| 658 | W | 58.2 | Low | 60.2 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 49% | 0.489 | 54% | 0.539 | S | S | . | . | | | trans | -40.5 | 124 | 176.9 | -63.1 | 106.4 | 0 | 0 | 0 | 111.6 | H656 E662 Q663 | H656-W658 VanDerWaalsContact O-CD1 3.31Å; H656-W658 PolarHBondContact O-N 2.89Å; W658-E662 WeakPolarHBondContact CA-OE2 3.09Å; W658-E662 HydrophobicContact CE3-CB 4.16Å; W658-Q663 HydrophobicContact CB-CG 4Å; W658-Q663 PolarHBondContact O-NE2 2.89Å |
| 659 | T | 74.9 | Confident | 62.9 | Low | 65 Ų | 65 | 100.5 Ų | 100.5 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | | | trans | -68 | 160.1 | 177.2 | 72.1 | 0 | 0 | 0 | 0 | 110.8 | Q657 E661 E662 Q663 | Q657-T659 PolarHBondContact O-N 3.45Å; T659-E661 PolarHBondContact O-N 3.08Å; T659-E662 WeakPolarHBondContact CB-OE1 3.48Å; T659-E662 WeakPolarHBondContact CG2-OE1 3.19Å; T659-E662 PolarHBondContact N-OE2 3Å; T659-E662 PolarHBondContact O-N 2.82Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; T659-E662 PolarHBondContact OG1-N 2.82Å; T659-E662 PolarHBondContact OG1-OE1 3.39Å; T659-Q663 WeakPolarHBondContact O-CG 3.39Å; T659-Q663 PolarHBondContact O-N 3.42Å |
| 660 | F | 71.8 | Confident | 65.1 | Low | 102 Ų | 102 | 98.2 Ų | 98.2 | 45% | 0.447 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.7 | -42.5 | 174.2 | 174 | -88.9 | 0 | 0 | 0 | 111.4 | Q663 F664 V694 N695 | F660-Q663 PolarHBondContact O-N 2.94Å; F660-F664 HydrophobicContact CD1-CD2 4.19Å; F660-F664 HydrophobicContact CD1-CE2 4.35Å; F660-F664 HydrophobicContact CD2-CD2 4.39Å; F660-F664 HydrophobicContact CD2-CE2 4.04Å; F660-F664 AromaticContact CE1-CD2 3.87Å; F660-F664 HydrophobicContact CE1-CD2 3.87Å; F660-F664 AromaticContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CZ 4.29Å; F660-F664 HydrophobicContact CE2-CD2 4.08Å; F660-F664 AromaticContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CZ 4.11Å; F660-F664 HydrophobicContact CG-CD2 4.44Å; F660-F664 HydrophobicContact CG-CE2 4.49Å; F660-F664 AromaticContact CZ-CD2 3.81Å; F660-F664 HydrophobicContact CZ-CD2 3.81Å; F660-F664 AromaticContact CZ-CE2 3.17Å; F660-F664 HydrophobicContact CZ-CE2 3.17Å; F660-F664 AromaticContact CZ-CZ 3.63Å; F660-F664 HydrophobicContact CZ-CZ 3.63Å; F660-F664 WeakPolarHBondContact O-CD2 3.29Å; F660-F664 PolarHBondContact O-N 3.47Å; F660-F664 VanDerWaalsContact O-N 3.12Å; F660-V694 WeakPolarHBondContact CE2-O 3.35Å; F660-N695 WeakPolarHBondContact CE2-O 3.33Å |
| 661 | E | 80 | Confident | 67.5 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 179.3 | -177.6 | 70.5 | -178 | 0 | 0 | 112.6 | T659 K665 | T659-E661 PolarHBondContact O-N 3.08Å; E661-K665 HydrophobicContact CG-CD 4.26Å; E661-K665 VanDerWaalsContact CG-NZ 3.27Å; E661-K665 WeakPolarHBondContact O-CB 3.43Å; E661-K665 WeakPolarHBondContact O-CG 3.46Å; E661-K665 PolarHBondContact O-N 3.17Å; E661-K665 WeakPolarHBondContact OE1-CE 3.31Å; E661-K665 IonicContact OE1-NZ 2.66Å; E661-K665 PolarHBondContact OE1-NZ 3.23Å |
| 662 | E | 82.9 | Confident | 69.9 | Low | 79 Ų | 79 | 96.6 Ų | 96.6 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 173.6 | -75.5 | 139.1 | -130.2 | 0 | 0 | 112 | W658 T659 F664 K665 Q666 | W658-E662 WeakPolarHBondContact CA-OE2 3.09Å; W658-E662 HydrophobicContact CE3-CB 4.16Å; T659-E662 WeakPolarHBondContact CB-OE1 3.48Å; T659-E662 WeakPolarHBondContact CG2-OE1 3.19Å; T659-E662 PolarHBondContact N-OE2 3Å; T659-E662 PolarHBondContact O-N 2.82Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; T659-E662 PolarHBondContact OG1-N 2.82Å; T659-E662 PolarHBondContact OG1-OE1 3.39Å; E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 3.48Å; E662-K665 PolarHBondContact O-N 3.41Å; E662-Q666 WeakPolarHBondContact O-CB 3.45Å; E662-Q666 PolarHBondContact O-N 2.89Å |
| 663 | Q | 83 | Confident | 72.3 | Confident | 19 Ų | 19 | 92 Ų | 92 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | 179.6 | -68.3 | 167.4 | 38.9 | 0 | 0 | 112 | W658 T659 F660 L667 I697 V704 | W658-Q663 HydrophobicContact CB-CG 4Å; W658-Q663 PolarHBondContact O-NE2 2.89Å; T659-Q663 WeakPolarHBondContact O-CG 3.39Å; T659-Q663 PolarHBondContact O-N 3.42Å; F660-Q663 PolarHBondContact O-N 2.94Å; Q663-L667 PolarHBondContact O-N 3.32Å; Q663-I697 HydrophobicContact CB-CB 4.05Å; Q663-I697 HydrophobicContact CB-CG1 3.95Å; Q663-V704 HydrophobicContact CB-CG2 4.46Å |
| 664 | F | 86.8 | Confident | 75.1 | Confident | 29 Ų | 29 | 92.9 Ų | 92.9 | 13% | 0.127 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.6 | -50.5 | 172.8 | -90.4 | -107.3 | 0 | 0 | 0 | 111.4 | F660 E662 Q666 L667 Y668 F684 V694 I697 | F660-F664 HydrophobicContact CD1-CD2 4.19Å; F660-F664 HydrophobicContact CD1-CE2 4.35Å; F660-F664 HydrophobicContact CD2-CD2 4.39Å; F660-F664 HydrophobicContact CD2-CE2 4.04Å; F660-F664 AromaticContact CE1-CD2 3.87Å; F660-F664 HydrophobicContact CE1-CD2 3.87Å; F660-F664 AromaticContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CZ 4.29Å; F660-F664 HydrophobicContact CE2-CD2 4.08Å; F660-F664 AromaticContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CZ 4.11Å; F660-F664 HydrophobicContact CG-CD2 4.44Å; F660-F664 HydrophobicContact CG-CE2 4.49Å; F660-F664 AromaticContact CZ-CD2 3.81Å; F660-F664 HydrophobicContact CZ-CD2 3.81Å; F660-F664 AromaticContact CZ-CE2 3.17Å; F660-F664 HydrophobicContact CZ-CE2 3.17Å; F660-F664 AromaticContact CZ-CZ 3.63Å; F660-F664 HydrophobicContact CZ-CZ 3.63Å; F660-F664 WeakPolarHBondContact O-CD2 3.29Å; F660-F664 PolarHBondContact O-N 3.47Å; F660-F664 VanDerWaalsContact O-N 3.12Å; E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 3.48Å; F664-Q666 VanDerWaalsContact C-N 3.29Å; F664-Q666 PolarHBondContact O-N 3.1Å; F664-L667 WeakPolarHBondContact O-CB 3.19Å; F664-L667 PolarHBondContact O-N 2.95Å; F664-Y668 HydrophobicContact CD1-CE2 4.47Å; F664-Y668 VanDerWaalsContact O-CD2 3.25Å; F664-Y668 WeakPolarHBondContact O-CD2 3.42Å; F664-Y668 PolarHBondContact O-N 2.65Å; F664-F684 HydrophobicContact CD1-CD2 4.25Å; F664-F684 AromaticContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CZ 4.05Å; F664-F684 HydrophobicContact CE1-CD1 4.4Å; F664-F684 AromaticContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CE1 4.13Å; F664-F684 AromaticContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CE2 3.46Å; F664-F684 VanDerWaalsContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CG 4.25Å; F664-F684 AromaticContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CZ-CZ 4.36Å; F664-V694 HydrophobicContact CE2-CG1 4.35Å; F664-V694 HydrophobicContact CZ-CB 4.07Å; F664-V694 HydrophobicContact CZ-CG1 3.83Å; F664-V694 WeakPolarHBondContact CZ-O 3.26Å; F664-I697 HydrophobicContact CD1-CD1 4.24Å; F664-I697 HydrophobicContact CD2-CD1 3.59Å; F664-I697 HydrophobicContact CD2-CG1 3.47Å; F664-I697 VanDerWaalsContact CD2-CG1 3.47Å; F664-I697 HydrophobicContact CE1-CD1 4.05Å; F664-I697 HydrophobicContact CE2-CD1 3.35Å; F664-I697 HydrophobicContact CE2-CG1 3.54Å; F664-I697 HydrophobicContact CG-CD1 4.04Å; F664-I697 HydrophobicContact CG-CG1 4.18Å; F664-I697 HydrophobicContact CZ-CD1 3.61Å; F664-I697 HydrophobicContact CZ-CG1 4.32Å |
| 665 | K | 87.4 | Confident | 77.8 | Confident | 115 Ų | 115 | 93 Ų | 93 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 179.1 | -78.3 | 169.8 | -178.9 | 158.1 | 0 | 112.8 | E661 E662 L667 Y668 V669 | E661-K665 HydrophobicContact CG-CD 4.26Å; E661-K665 VanDerWaalsContact CG-NZ 3.27Å; E661-K665 WeakPolarHBondContact O-CB 3.43Å; E661-K665 WeakPolarHBondContact O-CG 3.46Å; E661-K665 PolarHBondContact O-N 3.17Å; E661-K665 WeakPolarHBondContact OE1-CE 3.31Å; E661-K665 IonicContact OE1-NZ 2.66Å; E661-K665 PolarHBondContact OE1-NZ 3.23Å; E662-K665 PolarHBondContact O-N 3.41Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.02Å; K665-Y668 PolarHBondContact O-N 3.21Å; K665-V669 WeakPolarHBondContact O-CG2 3.02Å; K665-V669 PolarHBondContact O-N 3.23Å |
| 666 | Q | 87.3 | Confident | 80.4 | Confident | 89 Ų | 89 | 85.6 Ų | 85.6 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.8 | -165.8 | 66 | 43.6 | 0 | 0 | 111.2 | E662 F664 Y668 V669 I670 V704 | E662-Q666 WeakPolarHBondContact O-CB 3.45Å; E662-Q666 PolarHBondContact O-N 2.89Å; F664-Q666 VanDerWaalsContact C-N 3.29Å; F664-Q666 PolarHBondContact O-N 3.1Å; Q666-Y668 VanDerWaalsContact C-N 3.29Å; Q666-Y668 PolarHBondContact O-N 3.13Å; Q666-V669 CarbonylContact O-C 3.55Å; Q666-V669 PolarHBondContact O-N 2.93Å; Q666-I670 WeakPolarHBondContact O-CG1 3.36Å; Q666-I670 PolarHBondContact O-N 3.44Å; Q666-I670 VanDerWaalsContact O-N 3.1Å; Q666-V704 HydrophobicContact CB-CG2 4.19Å; Q666-V704 HydrophobicContact CG-CB 4.35Å; Q666-V704 HydrophobicContact CG-CG2 4.31Å |
| 667 | L | 89.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.4 | -32.9 | -177.3 | -175.4 | 53 | 0 | 0 | 0 | 113.7 | Q663 F664 K665 V669 I670 R676 L680 F684 I697 V704 L707 | Q663-L667 PolarHBondContact O-N 3.32Å; F664-L667 WeakPolarHBondContact O-CB 3.19Å; F664-L667 PolarHBondContact O-N 2.95Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.02Å; L667-V669 VanDerWaalsContact C-N 3.3Å; L667-I670 HydrophobicContact CD1-CD1 4.22Å; L667-R676 PolarHBondContact O-NH1 3.47Å; L667-L680 HydrophobicContact CD1-CD2 4.39Å; L667-L680 HydrophobicContact CD2-CD2 3.82Å; L667-L680 HydrophobicContact CG-CD1 3.88Å; L667-L680 HydrophobicContact CG-CD2 3.88Å; L667-F684 HydrophobicContact CD2-CZ 4Å; L667-I697 HydrophobicContact CD2-CD1 3.8Å; L667-I697 HydrophobicContact CD2-CG2 4.07Å; L667-V704 HydrophobicContact CB-CG1 3.9Å; L667-V704 HydrophobicContact CD1-CG1 4.03Å; L667-V704 HydrophobicContact CG-CG1 4.41Å; L667-L707 HydrophobicContact CD2-CD1 4.05Å; L667-L707 HydrophobicContact CD2-CG 4.14Å |
| 668 | Y | 89.7 | Confident | 84.4 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 26% | 0.255 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.1 | -16.5 | 173.2 | -74.2 | -77.8 | 0 | 0 | 0 | 114.1 | F664 K665 Q666 K677 L680 D681 F684 | F664-Y668 HydrophobicContact CD1-CE2 4.47Å; F664-Y668 VanDerWaalsContact O-CD2 3.25Å; F664-Y668 WeakPolarHBondContact O-CD2 3.42Å; F664-Y668 PolarHBondContact O-N 2.65Å; K665-Y668 PolarHBondContact O-N 3.21Å; Q666-Y668 VanDerWaalsContact C-N 3.29Å; Q666-Y668 PolarHBondContact O-N 3.13Å; Y668-K677 HydrophobicContact CD1-CB 4.26Å; Y668-K677 HydrophobicContact CD1-CG 3.86Å; Y668-K677 HydrophobicContact CE1-CG 3.93Å; Y668-L680 HydrophobicContact CD1-CB 4.22Å; Y668-L680 HydrophobicContact CD1-CD1 3.81Å; Y668-L680 HydrophobicContact CE1-CB 3.71Å; Y668-L680 HydrophobicContact CE1-CD1 4.15Å; Y668-L680 HydrophobicContact CG-CD1 4.21Å; Y668-D681 VanDerWaalsContact CE1-OD1 3.3Å; Y668-D681 WeakPolarHBondContact CE1-OD1 3.4Å; Y668-D681 VanDerWaalsContact CZ-OD1 3.3Å; Y668-D681 PolarHBondContact OH-OD1 3.39Å; Y668-F684 HydrophobicContact CE2-CE2 4.07Å; Y668-F684 AromaticContact CZ-CE2 3.92Å; Y668-F684 WeakPolarHBondContact OH-CD2 3.38Å |
| 669 | V | 88.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 77 Ų | 77 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 15.7 | -170.5 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | K665 Q666 L667 | K665-V669 WeakPolarHBondContact O-CG2 3.02Å; K665-V669 PolarHBondContact O-N 3.23Å; Q666-V669 CarbonylContact O-C 3.55Å; Q666-V669 PolarHBondContact O-N 2.93Å; L667-V669 VanDerWaalsContact C-N 3.3Å |
| 670 | I | 86.5 | Confident | 87.2 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -70.4 | -32 | 175.7 | -84.5 | 167.3 | 0 | 0 | 0 | 112.3 | Q666 L667 V704 D706 | Q666-I670 WeakPolarHBondContact O-CG1 3.36Å; Q666-I670 PolarHBondContact O-N 3.44Å; Q666-I670 VanDerWaalsContact O-N 3.1Å; L667-I670 HydrophobicContact CD1-CD1 4.22Å; I670-V704 HydrophobicContact CD1-CB 4.23Å; I670-V704 HydrophobicContact CD1-CG1 3.86Å; I670-D706 HydrophobicContact CD1-CB 4.49Å; I670-D706 HydrophobicContact CG2-CB 4.47Å; I670-D706 WeakPolarHBondContact CG2-OD2 3.28Å |
| 671 | S | 82.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -148.4 | 158.2 | 165.4 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | D673 R676 | S671-D673 WeakPolarHBondContact CB-OD2 3.38Å; S671-D673 PolarHBondContact O-N 2.89Å; S671-D673 PolarHBondContact OG-OD2 3.48Å; S671-R676 WeakPolarHBondContact O-CD 3.43Å; S671-R676 PolarHBondContact O-NE 3.39Å; S671-R676 VanDerWaalsContact OG-CZ 3.24Å; S671-R676 PolarHBondContact OG-NE 3.16Å; S671-R676 PolarHBondContact OG-NH2 3.17Å |
| 672 | D | 81.8 | Confident | 89 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 86% | 0.861 | 36% | 0.359 | S | S | * | . | | | trans | -79.7 | 11 | -176.6 | -56.6 | -70.2 | 0 | 0 | 0 | 114.5 | P674 | D672-P674 WeakPolarHBondContact O-CD 3.47Š|
| 673 | D | 86.2 | Confident | 89.6 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | | | trans | -58.8 | 117.8 | 178 | -72.3 | -80.1 | 0 | 0 | 0 | 111.7 | S671 K675 R676 Y708 | S671-D673 WeakPolarHBondContact CB-OD2 3.38Å; S671-D673 PolarHBondContact O-N 2.89Å; S671-D673 PolarHBondContact OG-OD2 3.48Å; D673-K675 VanDerWaalsContact C-N 3.26Å; D673-K675 PolarHBondContact O-N 3.42Å; D673-R676 HydrophobicContact CB-CB 4.06Å; D673-R676 WeakPolarHBondContact O-CB 3.35Å; D673-R676 PolarHBondContact O-N 3.12Å; D673-Y708 HydrophobicContact CB-CE1 4.33Å |
| 674 | P | 87 | Confident | 90.2 | Very high | 100 Ų | 100 | 69 Ų | 69 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -37.5 | -177.8 | 21.7 | -32.1 | 0 | 0 | 0 | 112.2 | D672 R676 K677 | D672-P674 WeakPolarHBondContact O-CD 3.47Å; P674-R676 PolarHBondContact O-N 3.29Å; P674-K677 PolarHBondContact O-N 3.12Å |
| 675 | K | 90.9 | Very high | 90.5 | Very high | 139 Ų | 139 | 72.3 Ų | 72.3 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -24.3 | 177.4 | -65.9 | 179.5 | -179.2 | 176.6 | 0 | 113.7 | D673 K677 F679 Y708 | D673-K675 VanDerWaalsContact C-N 3.26Å; D673-K675 PolarHBondContact O-N 3.42Å; K675-K677 VanDerWaalsContact C-N 3.33Å; K675-K677 PolarHBondContact O-N 3.47Å; K675-F679 VanDerWaalsContact O-CB 3.28Å; K675-F679 WeakPolarHBondContact O-CB 2.99Å; K675-F679 PolarHBondContact O-N 2.84Å; K675-Y708 HydrophobicContact CB-CE2 4.29Å; K675-Y708 WeakPolarHBondContact CB-OH 3.5Å |
| 676 | R | 93.7 | Very high | 90.9 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -48.9 | 174.5 | 168.7 | -172.6 | -69.8 | -69.5 | -9.6 | 110.3 | L667 S671 D673 P674 L680 D706 Y708 | L667-R676 PolarHBondContact O-NH1 3.47Å; S671-R676 WeakPolarHBondContact O-CD 3.43Å; S671-R676 PolarHBondContact O-NE 3.39Å; S671-R676 VanDerWaalsContact OG-CZ 3.24Å; S671-R676 PolarHBondContact OG-NE 3.16Å; S671-R676 PolarHBondContact OG-NH2 3.17Å; D673-R676 HydrophobicContact CB-CB 4.06Å; D673-R676 WeakPolarHBondContact O-CB 3.35Å; D673-R676 PolarHBondContact O-N 3.12Å; P674-R676 PolarHBondContact O-N 3.29Å; R676-L680 HydrophobicContact CG-CD1 3.77Å; R676-L680 WeakPolarHBondContact O-CB 3.45Å; R676-L680 WeakPolarHBondContact O-CG 3.33Å; R676-L680 PolarHBondContact O-N 2.8Å; R676-D706 IonicContact CZ-OD1 3.92Å; R676-D706 IonicContact CZ-OD2 3.21Å; R676-D706 IonicContact NH1-OD1 2.84Å; R676-D706 PolarHBondContact NH1-OD1 2.86Å; R676-D706 IonicContact NH1-OD2 3.81Å; R676-D706 PolarHBondContact NH1-OD2 3.39Å; R676-D706 IonicContact NH2-OD1 2.9Å; R676-D706 IonicContact NH2-OD2 2.7Å; R676-D706 PolarHBondContact NH2-OD2 3.29Å; R676-Y708 HydrophobicContact CB-CD1 3.99Å; R676-Y708 HydrophobicContact CB-CE1 4.27Å; R676-Y708 HydrophobicContact CB-CG 4.13Å; R676-Y708 HydrophobicContact CG-CD1 4.43Å; R676-Y708 HydrophobicContact CG-CG 4.39Å |
| 677 | K | 91.6 | Very high | 91.3 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 54% | 0.543 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | -176.4 | -177.6 | -174.1 | 173.7 | -164.5 | 0 | 111.1 | Y668 P674 K675 F679 L680 D681 | Y668-K677 HydrophobicContact CD1-CB 4.26Å; Y668-K677 HydrophobicContact CD1-CG 3.86Å; Y668-K677 HydrophobicContact CE1-CG 3.93Å; P674-K677 PolarHBondContact O-N 3.12Å; K675-K677 VanDerWaalsContact C-N 3.33Å; K675-K677 PolarHBondContact O-N 3.47Å; K677-F679 VanDerWaalsContact C-N 3.35Å; K677-F679 PolarHBondContact O-N 3.44Å; K677-L680 PolarHBondContact O-N 3.05Å; K677-D681 WeakPolarHBondContact O-CB 3.41Å; K677-D681 PolarHBondContact O-N 3.49Å |
| 678 | E | 93.4 | Very high | 91.6 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.7 | -47.7 | 179.5 | -62.5 | 173.4 | 157.7 | 0 | 0 | 111.2 | D681 E682 | E678-D681 PolarHBondContact O-N 2.94Å; E678-E682 WeakPolarHBondContact O-CB 3.35Å; E678-E682 PolarHBondContact O-N 3.04Å |
| 679 | F | 95.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175 | 170.9 | -91.8 | 0 | 0 | 0 | 113.2 | K675 K677 E682 L683 Y708 F711 L757 Y760 | K675-F679 VanDerWaalsContact O-CB 3.28Å; K675-F679 WeakPolarHBondContact O-CB 2.99Å; K675-F679 PolarHBondContact O-N 2.84Å; K677-F679 VanDerWaalsContact C-N 3.35Å; K677-F679 PolarHBondContact O-N 3.44Å; F679-E682 PolarHBondContact O-N 3.07Å; F679-L683 HydrophobicContact CE1-CB 4.46Å; F679-L683 HydrophobicContact CE1-CD2 3.82Å; F679-L683 HydrophobicContact CZ-CD2 4.05Å; F679-L683 WeakPolarHBondContact O-CB 3.29Å; F679-L683 PolarHBondContact O-N 3.37Å; F679-Y708 HydrophobicContact CB-CD2 3.73Å; F679-Y708 HydrophobicContact CB-CE2 4.09Å; F679-Y708 AromaticContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CG 4.28Å; F679-Y708 HydrophobicContact CD2-CD2 4.46Å; F679-Y708 HydrophobicContact CE1-CD2 4.38Å; F679-Y708 AromaticContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CE2 4.37Å; F679-F711 HydrophobicContact CD2-CD1 4.2Å; F679-F711 HydrophobicContact CD2-CE1 4.47Å; F679-F711 HydrophobicContact CE1-CB 4.31Å; F679-F711 HydrophobicContact CE2-CB 4.09Å; F679-F711 AromaticContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD2 4.24Å; F679-F711 AromaticContact CE2-CE1 3.72Å; F679-F711 HydrophobicContact CE2-CE1 3.72Å; F679-F711 AromaticContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CZ 4.3Å; F679-F711 HydrophobicContact CZ-CB 3.57Å; F679-F711 AromaticContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD2 4.18Å; F679-F711 HydrophobicContact CZ-CE1 4.5Å; F679-F711 AromaticContact CZ-CG 3.58Å; F679-F711 HydrophobicContact CZ-CG 3.58Å; F679-L757 HydrophobicContact CE1-CD2 4.39Å; F679-L757 HydrophobicContact CZ-CD2 3.87Å; F679-Y760 HydrophobicContact CD2-CE1 4.15Å; F679-Y760 HydrophobicContact CE2-CD1 4.15Å; F679-Y760 AromaticContact CE2-CE1 3.57Å; F679-Y760 HydrophobicContact CE2-CE1 3.57Å |
| 680 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 179.5 | -73.1 | 170.4 | 0 | 0 | 0 | 111.5 | L667 Y668 R676 K677 L683 F684 L707 | L667-L680 HydrophobicContact CD1-CD2 4.39Å; L667-L680 HydrophobicContact CD2-CD2 3.82Å; L667-L680 HydrophobicContact CG-CD1 3.88Å; L667-L680 HydrophobicContact CG-CD2 3.88Å; Y668-L680 HydrophobicContact CD1-CB 4.22Å; Y668-L680 HydrophobicContact CD1-CD1 3.81Å; Y668-L680 HydrophobicContact CE1-CB 3.71Å; Y668-L680 HydrophobicContact CE1-CD1 4.15Å; Y668-L680 HydrophobicContact CG-CD1 4.21Å; R676-L680 HydrophobicContact CG-CD1 3.77Å; R676-L680 WeakPolarHBondContact O-CB 3.45Å; R676-L680 WeakPolarHBondContact O-CG 3.33Å; R676-L680 PolarHBondContact O-N 2.8Å; K677-L680 PolarHBondContact O-N 3.05Å; L680-L683 PolarHBondContact O-N 3.45Å; L680-F684 HydrophobicContact CB-CE2 4.14Å; L680-F684 HydrophobicContact CD2-CZ 4.07Å; L680-F684 WeakPolarHBondContact O-CB 3.34Å; L680-F684 WeakPolarHBondContact O-CD2 3.49Å; L680-F684 WeakPolarHBondContact O-CG 3.44Å; L680-F684 PolarHBondContact O-N 2.91Å; L680-L707 HydrophobicContact CD2-CB 4.3Å |
| 681 | D | 94.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 35% | 0.353 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.1 | -72.5 | -19.3 | 0 | 0 | 0 | 110.6 | Y668 K677 E678 V685 | Y668-D681 VanDerWaalsContact CE1-OD1 3.3Å; Y668-D681 WeakPolarHBondContact CE1-OD1 3.4Å; Y668-D681 VanDerWaalsContact CZ-OD1 3.3Å; Y668-D681 PolarHBondContact OH-OD1 3.39Å; K677-D681 WeakPolarHBondContact O-CB 3.41Å; K677-D681 PolarHBondContact O-N 3.49Å; E678-D681 PolarHBondContact O-N 2.94Å; D681-V685 WeakPolarHBondContact O-CB 3.13Å; D681-V685 VanDerWaalsContact O-CG2 3.3Å; D681-V685 WeakPolarHBondContact O-CG2 3.4Å; D681-V685 PolarHBondContact O-N 2.69Å |
| 682 | E | 95.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 72.6 Ų | 72.6 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.6 | -169.4 | 179.7 | 173.3 | 0 | 0 | 111.9 | E678 F679 F684 V685 Y686 Y760 | E678-E682 WeakPolarHBondContact O-CB 3.35Å; E678-E682 PolarHBondContact O-N 3.04Å; F679-E682 PolarHBondContact O-N 3.07Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.38Å; E682-V685 PolarHBondContact O-N 2.98Å; E682-Y686 WeakPolarHBondContact O-CB 3.47Å; E682-Y686 PolarHBondContact O-N 3.15Å; E682-Y760 HydrophobicContact CG-CE2 4.14Å; E682-Y760 PolarHBondContact OE2-OH 3.12Å |
| 683 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | -179.7 | 179.9 | 65.6 | 0 | 0 | 0 | 112.1 | F679 L680 Y686 M687 L707 L757 Y760 | F679-L683 HydrophobicContact CE1-CB 4.46Å; F679-L683 HydrophobicContact CE1-CD2 3.82Å; F679-L683 HydrophobicContact CZ-CD2 4.05Å; F679-L683 WeakPolarHBondContact O-CB 3.29Å; F679-L683 PolarHBondContact O-N 3.37Å; L680-L683 PolarHBondContact O-N 3.45Å; L683-Y686 HydrophobicContact CD1-CD1 4.44Å; L683-Y686 WeakPolarHBondContact O-CB 3.14Å; L683-Y686 PolarHBondContact O-N 3.15Å; L683-M687 HydrophobicContact CD1-CG 4.31Å; L683-M687 HydrophobicContact CD1-SD 4.39Å; L683-M687 WeakPolarHBondContact O-CB 3.49Å; L683-M687 VanDerWaalsContact O-CG 3.31Å; L683-M687 WeakPolarHBondContact O-CG 3.24Å; L683-M687 PolarHBondContact O-N 2.87Å; L683-L707 HydrophobicContact CD2-CB 4.36Å; L683-L707 HydrophobicContact CD2-CD1 4.32Å; L683-L757 HydrophobicContact CD1-CD2 4.19Å; L683-L757 HydrophobicContact CD2-CD2 3.64Å; L683-Y760 HydrophobicContact CD1-CD2 3.84Å; L683-Y760 HydrophobicContact CD1-CE2 4.5Å; L683-Y760 HydrophobicContact CD1-CG 3.86Å |
| 684 | F | 94.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 177.5 | -62.8 | -27.4 | 0 | 0 | 0 | 112.1 | F664 L667 Y668 L680 E682 Y686 M687 Q688 V694 I697 | F664-F684 HydrophobicContact CD1-CD2 4.25Å; F664-F684 AromaticContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CZ 4.05Å; F664-F684 HydrophobicContact CE1-CD1 4.4Å; F664-F684 AromaticContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CE1 4.13Å; F664-F684 AromaticContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CE2 3.46Å; F664-F684 VanDerWaalsContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CG 4.25Å; F664-F684 AromaticContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CZ-CZ 4.36Å; L667-F684 HydrophobicContact CD2-CZ 4Å; Y668-F684 HydrophobicContact CE2-CE2 4.07Å; Y668-F684 AromaticContact CZ-CE2 3.92Å; Y668-F684 WeakPolarHBondContact OH-CD2 3.38Å; L680-F684 HydrophobicContact CB-CE2 4.14Å; L680-F684 HydrophobicContact CD2-CZ 4.07Å; L680-F684 WeakPolarHBondContact O-CB 3.34Å; L680-F684 WeakPolarHBondContact O-CD2 3.49Å; L680-F684 WeakPolarHBondContact O-CG 3.44Å; L680-F684 PolarHBondContact O-N 2.91Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.38Å; F684-Y686 VanDerWaalsContact C-N 3.32Å; F684-Y686 PolarHBondContact O-N 2.97Å; F684-M687 PolarHBondContact O-N 3.43Å; F684-Q688 VanDerWaalsContact O-CB 3.24Å; F684-Q688 WeakPolarHBondContact O-CB 3.38Å; F684-Q688 PolarHBondContact O-N 2.92Å; F684-V694 HydrophobicContact CD1-CB 4.08Å; F684-V694 HydrophobicContact CD1-CG1 4.47Å; F684-V694 HydrophobicContact CD1-CG2 3.69Å; F684-V694 HydrophobicContact CE1-CB 4.18Å; F684-V694 HydrophobicContact CE1-CG1 4.06Å; F684-V694 HydrophobicContact CE1-CG2 3.96Å; F684-I697 HydrophobicContact CE1-CD1 4.42Å; F684-I697 HydrophobicContact CZ-CD1 4.09Å |
| 685 | V | 94.5 | Very high | 93.7 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 171.7 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | D681 E682 Q688 R689 | D681-V685 WeakPolarHBondContact O-CB 3.13Å; D681-V685 VanDerWaalsContact O-CG2 3.3Å; D681-V685 WeakPolarHBondContact O-CG2 3.4Å; D681-V685 PolarHBondContact O-N 2.69Å; E682-V685 PolarHBondContact O-N 2.98Å; V685-Q688 PolarHBondContact O-N 2.97Å; V685-R689 VanDerWaalsContact O-CB 3.26Å; V685-R689 WeakPolarHBondContact O-CB 3.16Å; V685-R689 PolarHBondContact O-N 2.56Å |
| 686 | Y | 96 | Very high | 93.7 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 175.8 | 172.2 | -91.6 | 0 | 0 | 0 | 112.6 | E682 L683 F684 Q688 R689 R690 P759 Y760 E763 | E682-Y686 WeakPolarHBondContact O-CB 3.47Å; E682-Y686 PolarHBondContact O-N 3.15Å; L683-Y686 HydrophobicContact CD1-CD1 4.44Å; L683-Y686 WeakPolarHBondContact O-CB 3.14Å; L683-Y686 PolarHBondContact O-N 3.15Å; F684-Y686 VanDerWaalsContact C-N 3.32Å; F684-Y686 PolarHBondContact O-N 2.97Å; Y686-Q688 VanDerWaalsContact C-N 3.31Å; Y686-Q688 PolarHBondContact O-N 3.2Å; Y686-R689 WeakPolarHBondContact O-CB 3.41Å; Y686-R689 PolarHBondContact O-N 2.89Å; Y686-R690 VanDerWaalsContact CE1-CD 3.45Å; Y686-R690 PolarHBondContact O-N 3.45Å; Y686-R690 WeakPolarHBondContact OH-CD 3.3Å; Y686-R690 PolarHBondContact OH-NE 3.11Å; Y686-R690 VanDerWaalsContact OH-NE 3.14Å; Y686-P759 HydrophobicContact CE1-CB 4.26Å; Y686-P759 PolarHBondContact OH-O 3.09Å; Y686-Y760 AromaticContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CG 4.4Å; Y686-Y760 AromaticContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CE2 4.41Å; Y686-Y760 HydrophobicContact CE1-CD2 4.1Å; Y686-Y760 HydrophobicContact CE1-CG 4.44Å; Y686-Y760 HydrophobicContact CE2-CD2 4.18Å; Y686-Y760 AromaticContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CE2 4.28Å; Y686-Y760 PolarHBondContact OH-N 3.12Å; Y686-E763 HydrophobicContact CE2-CB 3.88Å; Y686-E763 HydrophobicContact CE2-CG 4.05Å; Y686-E763 WeakPolarHBondContact CE2-OE1 3.41Å; Y686-E763 VanDerWaalsContact CE2-OE2 3.23Å; Y686-E763 WeakPolarHBondContact CE2-OE2 3.36Å; Y686-E763 PolarHBondContact OH-OE2 3.12Å |
| 687 | M | 95.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 178.8 | -73.5 | -164.8 | 70.5 | 0 | 0 | 111.9 | L683 F684 G691 T692 V694 Y756 | L683-M687 HydrophobicContact CD1-CG 4.31Å; L683-M687 HydrophobicContact CD1-SD 4.39Å; L683-M687 WeakPolarHBondContact O-CB 3.49Å; L683-M687 VanDerWaalsContact O-CG 3.31Å; L683-M687 WeakPolarHBondContact O-CG 3.24Å; L683-M687 PolarHBondContact O-N 2.87Å; F684-M687 PolarHBondContact O-N 3.43Å; M687-G691 PolarHBondContact O-N 3.32Å; M687-T692 VanDerWaalsContact CE-O 3.29Å; M687-T692 WeakPolarHBondContact CE-O 3.11Å; M687-T692 CarbonylContact O-C 3.45Å; M687-T692 PolarHBondContact O-N 3.27Å; M687-V694 HydrophobicContact CB-CG2 4.17Å; M687-V694 HydrophobicContact CE-CG2 3.99Å; M687-V694 HydrophobicContact CG-CG2 4.4Å; M687-V694 HydrophobicContact SD-CG2 3.49Å; M687-V694 WeakPolarHBondContact SD-CG2 3.26Å; M687-Y756 HydrophobicContact CE-CD1 3.58Å; M687-Y756 HydrophobicContact CE-CE1 4.27Å; M687-Y756 HydrophobicContact CE-CG 4.26Å; M687-Y756 HydrophobicContact SD-CD1 3.74Å; M687-Y756 HydrophobicContact SD-CG 4.38Å |
| 688 | Q | 94.6 | Very high | 93.7 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | 171.4 | -178 | 58.5 | 88.2 | 0 | 0 | 112.3 | F684 V685 Y686 R690 G691 | F684-Q688 VanDerWaalsContact O-CB 3.24Å; F684-Q688 WeakPolarHBondContact O-CB 3.38Å; F684-Q688 PolarHBondContact O-N 2.92Å; V685-Q688 PolarHBondContact O-N 2.97Å; Y686-Q688 VanDerWaalsContact C-N 3.31Å; Y686-Q688 PolarHBondContact O-N 3.2Å; Q688-R690 VanDerWaalsContact C-N 3.31Å; Q688-R690 PolarHBondContact O-N 2.78Å; Q688-G691 PolarHBondContact O-N 3.49Å |
| 689 | R | 94.8 | Very high | 93.7 | Very high | 172 Ų | 172 | 54.3 Ų | 54.3 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.2 | -40.4 | 175.9 | 179.7 | 173.7 | 83.2 | -163.1 | 6.8 | 111.8 | V685 Y686 G691 E763 | V685-R689 VanDerWaalsContact O-CB 3.26Å; V685-R689 WeakPolarHBondContact O-CB 3.16Å; V685-R689 PolarHBondContact O-N 2.56Å; Y686-R689 WeakPolarHBondContact O-CB 3.41Å; Y686-R689 PolarHBondContact O-N 2.89Å; R689-G691 PolarHBondContact O-N 3.44Å; R689-E763 IonicContact CZ-OE1 3.91Å; R689-E763 IonicContact NH2-OE1 2.65Å; R689-E763 PolarHBondContact NH2-OE1 3.25Å |
| 690 | R | 92.9 | Very high | 93.5 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.1 | 176.4 | -71.6 | 171.9 | 61.4 | -94.4 | -7.8 | 114.2 | Y686 Q688 T692 P759 E763 | Y686-R690 VanDerWaalsContact CE1-CD 3.45Å; Y686-R690 PolarHBondContact O-N 3.45Å; Y686-R690 WeakPolarHBondContact OH-CD 3.3Å; Y686-R690 PolarHBondContact OH-NE 3.11Å; Y686-R690 VanDerWaalsContact OH-NE 3.14Å; Q688-R690 VanDerWaalsContact C-N 3.31Å; Q688-R690 PolarHBondContact O-N 2.78Å; R690-T692 VanDerWaalsContact C-N 3.28Å; R690-T692 PolarHBondContact O-N 3.21Å; R690-P759 VanDerWaalsContact CZ-CB 3.4Å; R690-P759 VanDerWaalsContact NH2-CB 3.27Å; R690-E763 IonicContact NE-OE2 2.73Å |
| 691 | G | 94 | Very high | 93.3 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 15.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q462 M687 Q688 R689 P693 | Q462-G691 PolarHBondContact NE2-O 2.99Å; M687-G691 PolarHBondContact O-N 3.32Å; Q688-G691 PolarHBondContact O-N 3.49Å; R689-G691 PolarHBondContact O-N 3.44Å; G691-P693 WeakPolarHBondContact O-CD 3.45Å |
| 692 | T | 93.1 | Very high | 93.1 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | | | trans | -120.6 | 59.3 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | M687 R690 | M687-T692 VanDerWaalsContact CE-O 3.29Å; M687-T692 WeakPolarHBondContact CE-O 3.11Å; M687-T692 CarbonylContact O-C 3.45Å; M687-T692 PolarHBondContact O-N 3.27Å; R690-T692 VanDerWaalsContact C-N 3.28Å; R690-T692 PolarHBondContact O-N 3.21Å |
| 693 | P | 92.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | | | trans | -60.7 | 156.7 | -175.2 | 26.1 | -35.3 | 0 | 0 | 0 | 112.8 | G691 N695 | G691-P693 WeakPolarHBondContact O-CD 3.45Å; P693-N695 PolarHBondContact O-N 3.38Å |
| 694 | V | 91.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | | | trans | -77.7 | 72.2 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | F660 F664 F684 M687 R696 I697 Y756 | F660-V694 WeakPolarHBondContact CE2-O 3.35Å; F664-V694 HydrophobicContact CE2-CG1 4.35Å; F664-V694 HydrophobicContact CZ-CB 4.07Å; F664-V694 HydrophobicContact CZ-CG1 3.83Å; F664-V694 WeakPolarHBondContact CZ-O 3.26Å; F684-V694 HydrophobicContact CD1-CB 4.08Å; F684-V694 HydrophobicContact CD1-CG1 4.47Å; F684-V694 HydrophobicContact CD1-CG2 3.69Å; F684-V694 HydrophobicContact CE1-CB 4.18Å; F684-V694 HydrophobicContact CE1-CG1 4.06Å; F684-V694 HydrophobicContact CE1-CG2 3.96Å; M687-V694 HydrophobicContact CB-CG2 4.17Å; M687-V694 HydrophobicContact CE-CG2 3.99Å; M687-V694 HydrophobicContact CG-CG2 4.4Å; M687-V694 HydrophobicContact SD-CG2 3.49Å; M687-V694 WeakPolarHBondContact SD-CG2 3.26Å; V694-R696 PolarHBondContact O-N 3.48Å; V694-I697 HydrophobicContact CG1-CD1 3.76Å; V694-Y756 HydrophobicContact CB-CE1 4.45Å; V694-Y756 HydrophobicContact CG1-CD1 4.42Å; V694-Y756 HydrophobicContact CG1-CE1 3.92Å; V694-Y756 HydrophobicContact CG2-CD1 4Å; V694-Y756 HydrophobicContact CG2-CE1 4.11Å |
| 695 | N | 89 | Confident | 92.8 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -65.2 | -7.2 | 179.8 | -67.2 | -17.9 | 0 | 0 | 0 | 114.2 | N458 F660 P693 | N458-N695 PolarHBondContact OD1-ND2 3Å; F660-N695 WeakPolarHBondContact CE2-O 3.33Å; P693-N695 PolarHBondContact O-N 3.38Å |
| 696 | R | 90.1 | Very high | 92.8 | Very high | 157 Ų | 157 | 59.4 Ų | 59.4 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -164.9 | 134.4 | 171.4 | -175.2 | 175.5 | 175.4 | -177.3 | 0.7 | 109.9 | V694 Y756 | V694-R696 PolarHBondContact O-N 3.48Å; R696-Y756 PolarHBondContact O-OH 2.96Å |
| 697 | I | 92.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | | | trans | -70.4 | 136.4 | 171 | -57.2 | -58.6 | 0 | 0 | 0 | 109.8 | Q663 F664 L667 F684 V694 V704 | Q663-I697 HydrophobicContact CB-CB 4.05Å; Q663-I697 HydrophobicContact CB-CG1 3.95Å; F664-I697 HydrophobicContact CD1-CD1 4.24Å; F664-I697 HydrophobicContact CD2-CD1 3.59Å; F664-I697 HydrophobicContact CD2-CG1 3.47Å; F664-I697 VanDerWaalsContact CD2-CG1 3.47Å; F664-I697 HydrophobicContact CE1-CD1 4.05Å; F664-I697 HydrophobicContact CE2-CD1 3.35Å; F664-I697 HydrophobicContact CE2-CG1 3.54Å; F664-I697 HydrophobicContact CG-CD1 4.04Å; F664-I697 HydrophobicContact CG-CG1 4.18Å; F664-I697 HydrophobicContact CZ-CD1 3.61Å; F664-I697 HydrophobicContact CZ-CG1 4.32Å; L667-I697 HydrophobicContact CD2-CD1 3.8Å; L667-I697 HydrophobicContact CD2-CG2 4.07Å; F684-I697 HydrophobicContact CE1-CD1 4.42Å; F684-I697 HydrophobicContact CZ-CD1 4.09Å; V694-I697 HydrophobicContact CG1-CD1 3.76Å; I697-V704 HydrophobicContact CG2-CG1 3.62Å; I697-V704 HydrophobicContact CG2-CG2 4.34Å |
| 698 | P | 93.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | | | trans | -66.8 | 145.2 | 174 | -20.5 | 34.9 | 0 | 0 | 0 | 112.1 | L705 L707 Q752 Y756 | P698-L705 HydrophobicContact CB-CB 4.06Å; P698-L705 HydrophobicContact CB-CD2 4Å; P698-L705 WeakPolarHBondContact O-CB 3.36Å; P698-L705 PolarHBondContact O-N 3.29Å; P698-L707 HydrophobicContact CG-CD2 4.25Å; P698-Q752 HydrophobicContact CB-CG 3.94Å; P698-Q752 HydrophobicContact CG-CG 4.4Å; P698-Y756 HydrophobicContact CG-CD2 3.81Å; P698-Y756 HydrophobicContact CG-CE1 4.42Å; P698-Y756 HydrophobicContact CG-CE2 3.33Å |
| 699 | I | 92.9 | Very high | 93 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.8 | 178.5 | -66.4 | 175.6 | 0 | 0 | 0 | 107.9 | Q703 | I699-Q703 CarbonylContact C-O 3.35Å; I699-Q703 VanDerWaalsContact CA-O 3.23Å; I699-Q703 WeakPolarHBondContact CA-O 3.42Å; I699-Q703 VanDerWaalsContact CG2-O 3.28Å; I699-Q703 WeakPolarHBondContact CG2-O 3.33Å |
| 700 | M | 92.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.1 | 175.5 | -160.7 | 169.9 | -44.5 | 0 | 0 | 109.8 | K702 Q703 L705 L738 T748 L749 | M700-K702 PolarHBondContact O-N 3.22Å; M700-K702 VanDerWaalsContact O-N 3.09Å; M700-Q703 PolarHBondContact N-O 3.21Å; M700-Q703 CarbonylContact O-C 3.57Å; M700-Q703 WeakPolarHBondContact O-CA 3.38Å; M700-Q703 PolarHBondContact O-N 2.86Å; M700-L705 HydrophobicContact CB-CD1 4.44Å; M700-L705 HydrophobicContact CE-CD1 4.12Å; M700-L705 HydrophobicContact CE-CD2 3.96Å; M700-L738 HydrophobicContact CG-CD1 4.45Å; M700-L738 HydrophobicContact SD-CD1 3.78Å; M700-T748 HydrophobicContact CE-CG2 3.53Å; M700-T748 HydrophobicContact SD-CG2 4.33Å; M700-L749 HydrophobicContact CE-CD2 3.45Å; M700-L749 VanDerWaalsContact CE-CD2 3.45Å; M700-L749 HydrophobicContact CE-CG 3.76Å; M700-L749 HydrophobicContact SD-CD2 3.94Å; M700-L749 HydrophobicContact SD-CG 4Å |
| 701 | A | 91.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 45 Ų | 45 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 27 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q703 L738 I742 | A701-Q703 PolarHBondContact O-N 3.23Å; A701-L738 HydrophobicContact CB-CD2 4.01Å; A701-I742 HydrophobicContact CB-CD1 3.69Å |
| 702 | K | 89.9 | Confident | 93.5 | Very high | 192 Ų | 192 | 47.7 Ų | 47.7 | 84% | 0.835 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | -7.5 | -167.5 | -51.2 | 176.5 | -178 | 173.6 | 0 | 115.8 | M700 | M700-K702 PolarHBondContact O-N 3.22Å; M700-K702 VanDerWaalsContact O-N 3.09Å |
| 703 | Q | 90.5 | Very high | 93.7 | Very high | 128 Ų | 128 | 45.4 Ų | 45.4 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 156 | 173.6 | -61.5 | -61.6 | -4.4 | 0 | 0 | 111.8 | I699 M700 A701 L705 | I699-Q703 CarbonylContact C-O 3.35Å; I699-Q703 VanDerWaalsContact CA-O 3.23Å; I699-Q703 WeakPolarHBondContact CA-O 3.42Å; I699-Q703 VanDerWaalsContact CG2-O 3.28Å; I699-Q703 WeakPolarHBondContact CG2-O 3.33Å; M700-Q703 PolarHBondContact N-O 3.21Å; M700-Q703 CarbonylContact O-C 3.57Å; M700-Q703 WeakPolarHBondContact O-CA 3.38Å; M700-Q703 PolarHBondContact O-N 2.86Å; A701-Q703 PolarHBondContact O-N 3.23Å; Q703-L705 PolarHBondContact O-N 3.05Å |
| 704 | V | 93.6 | Very high | 94 | Very high | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.127 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 129.1 | 163.9 | 160.5 | 0 | 0 | 0 | 0 | 108.4 | Q663 Q666 L667 I670 I697 D706 | Q663-V704 HydrophobicContact CB-CG2 4.46Å; Q666-V704 HydrophobicContact CB-CG2 4.19Å; Q666-V704 HydrophobicContact CG-CB 4.35Å; Q666-V704 HydrophobicContact CG-CG2 4.31Å; L667-V704 HydrophobicContact CB-CG1 3.9Å; L667-V704 HydrophobicContact CD1-CG1 4.03Å; L667-V704 HydrophobicContact CG-CG1 4.41Å; I670-V704 HydrophobicContact CD1-CB 4.23Å; I670-V704 HydrophobicContact CD1-CG1 3.86Å; I697-V704 HydrophobicContact CG2-CG1 3.62Å; I697-V704 HydrophobicContact CG2-CG2 4.34Å; V704-D706 PolarHBondContact O-N 3.01Å |
| 705 | L | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 119.2 | 176.8 | 177.6 | 63 | 0 | 0 | 0 | 109 | P698 M700 Q703 L707 L710 L736 L749 Q752 | P698-L705 HydrophobicContact CB-CB 4.06Å; P698-L705 HydrophobicContact CB-CD2 4Å; P698-L705 WeakPolarHBondContact O-CB 3.36Å; P698-L705 PolarHBondContact O-N 3.29Å; M700-L705 HydrophobicContact CB-CD1 4.44Å; M700-L705 HydrophobicContact CE-CD1 4.12Å; M700-L705 HydrophobicContact CE-CD2 3.96Å; Q703-L705 PolarHBondContact O-N 3.05Å; L705-L707 PolarHBondContact O-N 2.93Å; L705-L710 HydrophobicContact CD2-CD2 3.96Å; L705-L710 HydrophobicContact CG-CD2 4.34Å; L705-L736 HydrophobicContact CD1-CD1 4.23Å; L705-L749 HydrophobicContact CD1-CD2 3.8Å; L705-L749 HydrophobicContact CD2-CD2 4.46Å; L705-Q752 HydrophobicContact CD2-CB 3.78Å; L705-Q752 HydrophobicContact CD2-CG 3.68Å |
| 706 | D | 95.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 116.4 | 173.2 | -164.5 | -20.4 | 0 | 0 | 0 | 110.8 | I670 R676 V704 Y708 E709 L710 L736 | I670-D706 HydrophobicContact CD1-CB 4.49Å; I670-D706 HydrophobicContact CG2-CB 4.47Å; I670-D706 WeakPolarHBondContact CG2-OD2 3.28Å; R676-D706 IonicContact CZ-OD1 3.92Å; R676-D706 IonicContact CZ-OD2 3.21Å; R676-D706 IonicContact NH1-OD1 2.84Å; R676-D706 PolarHBondContact NH1-OD1 2.86Å; R676-D706 IonicContact NH1-OD2 3.81Å; R676-D706 PolarHBondContact NH1-OD2 3.39Å; R676-D706 IonicContact NH2-OD1 2.9Å; R676-D706 IonicContact NH2-OD2 2.7Å; R676-D706 PolarHBondContact NH2-OD2 3.29Å; V704-D706 PolarHBondContact O-N 3.01Å; D706-Y708 WeakPolarHBondContact OD1-CB 3.46Å; D706-Y708 PolarHBondContact OD1-N 3.17Å; D706-E709 HydrophobicContact CB-CB 4.16Å; D706-E709 PolarHBondContact OD1-N 3.02Å; D706-E709 VanDerWaalsContact OD1-N 3.08Å; D706-E709 WeakPolarHBondContact OD2-CB 3.44Å; D706-L710 WeakPolarHBondContact O-CB 3.21Å; D706-L710 PolarHBondContact O-N 3.46Å; D706-L736 HydrophobicContact CB-CD2 4.32Å |
| 707 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -87.1 | -23.3 | 177.1 | -61.6 | -175.3 | 0 | 0 | 0 | 112.6 | L667 L680 L683 P698 L705 F711 L757 | L667-L707 HydrophobicContact CD2-CD1 4.05Å; L667-L707 HydrophobicContact CD2-CG 4.14Å; L680-L707 HydrophobicContact CD2-CB 4.3Å; L683-L707 HydrophobicContact CD2-CB 4.36Å; L683-L707 HydrophobicContact CD2-CD1 4.32Å; P698-L707 HydrophobicContact CG-CD2 4.25Å; L705-L707 PolarHBondContact O-N 2.93Å; L707-F711 WeakPolarHBondContact O-CB 3.45Å; L707-F711 PolarHBondContact O-N 3.35Å; L707-L757 HydrophobicContact CB-CD2 4.49Å |
| 708 | Y | 96.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.9 | -55.6 | 176.8 | 172.4 | -106.8 | 0 | 0 | 0 | 109.7 | D673 K675 R676 F679 D706 L710 F711 Q712 | D673-Y708 HydrophobicContact CB-CE1 4.33Å; K675-Y708 HydrophobicContact CB-CE2 4.29Å; K675-Y708 WeakPolarHBondContact CB-OH 3.5Å; R676-Y708 HydrophobicContact CB-CD1 3.99Å; R676-Y708 HydrophobicContact CB-CE1 4.27Å; R676-Y708 HydrophobicContact CB-CG 4.13Å; R676-Y708 HydrophobicContact CG-CD1 4.43Å; R676-Y708 HydrophobicContact CG-CG 4.39Å; F679-Y708 HydrophobicContact CB-CD2 3.73Å; F679-Y708 HydrophobicContact CB-CE2 4.09Å; F679-Y708 AromaticContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CG 4.28Å; F679-Y708 HydrophobicContact CD2-CD2 4.46Å; F679-Y708 HydrophobicContact CE1-CD2 4.38Å; F679-Y708 AromaticContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CE2 4.37Å; D706-Y708 WeakPolarHBondContact OD1-CB 3.46Å; D706-Y708 PolarHBondContact OD1-N 3.17Å; Y708-L710 VanDerWaalsContact C-N 3.32Å; Y708-L710 PolarHBondContact O-N 2.91Å; Y708-F711 WeakPolarHBondContact O-CA 3.37Å; Y708-F711 WeakPolarHBondContact O-CB 3.21Å; Y708-F711 PolarHBondContact O-N 3.26Å; Y708-Q712 HydrophobicContact CD2-CG 4.49Å; Y708-Q712 HydrophobicContact CE1-CG 4.33Å; Y708-Q712 HydrophobicContact CE2-CG 4.21Å; Y708-Q712 VanDerWaalsContact CE2-NE2 3.33Å; Y708-Q712 WeakPolarHBondContact O-CG 3.42Å; Y708-Q712 PolarHBondContact O-N 3.29Å |
| 709 | E | 96.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.8 | -35.8 | -178.7 | -172.9 | 55.7 | -155.9 | 0 | 0 | 111.8 | D706 F711 Q712 L713 L736 | D706-E709 HydrophobicContact CB-CB 4.16Å; D706-E709 PolarHBondContact OD1-N 3.02Å; D706-E709 VanDerWaalsContact OD1-N 3.08Å; D706-E709 WeakPolarHBondContact OD2-CB 3.44Å; E709-F711 VanDerWaalsContact C-N 3.29Å; E709-F711 PolarHBondContact O-N 3.02Å; E709-Q712 PolarHBondContact O-N 3.21Å; E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.19Å; E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.4Å; E709-L713 PolarHBondContact O-N 2.87Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.49Å; E709-L713 WeakPolarHBondContact OE1-CD2 3.21Å; E709-L713 WeakPolarHBondContact OE1-CG 3.26Å; E709-L736 HydrophobicContact CB-CD2 3.91Å; E709-L736 HydrophobicContact CG-CD2 3.86Å |
| 710 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -33.7 | 172.3 | 173.8 | 59.1 | 0 | 0 | 0 | 112.2 | L705 D706 Y708 V714 I732 L736 L749 Y753 L757 | L705-L710 HydrophobicContact CD2-CD2 3.96Å; L705-L710 HydrophobicContact CG-CD2 4.34Å; D706-L710 WeakPolarHBondContact O-CB 3.21Å; D706-L710 PolarHBondContact O-N 3.46Å; Y708-L710 VanDerWaalsContact C-N 3.32Å; Y708-L710 PolarHBondContact O-N 2.91Å; L710-V714 HydrophobicContact CD1-CG2 4.1Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-I732 HydrophobicContact CD1-CG2 3.71Å; L710-L736 HydrophobicContact CB-CD1 4.26Å; L710-L736 HydrophobicContact CB-CD2 4.17Å; L710-L736 HydrophobicContact CD1-CD1 4.09Å; L710-L749 HydrophobicContact CD1-CD2 4.23Å; L710-L749 HydrophobicContact CD2-CD2 4.38Å; L710-Y753 HydrophobicContact CD1-CD2 3.91Å; L710-Y753 HydrophobicContact CD2-CD2 4.32Å; L710-Y753 HydrophobicContact CG-CD2 3.8Å; L710-Y753 HydrophobicContact CG-CE2 4.37Å; L710-Y753 WeakPolarHBondContact O-CE2 3.47Å; L710-L757 HydrophobicContact CB-CD1 4.18Å; L710-L757 HydrophobicContact CD2-CD1 3.93Å; L710-L757 HydrophobicContact CG-CD1 3.76Å |
| 711 | F | 97.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -53.1 | 173.5 | -176.4 | -106.2 | 0 | 0 | 0 | 110.7 | F679 L707 Y708 E709 L713 V714 V715 Y753 L757 Y760 E761 L765 | F679-F711 HydrophobicContact CD2-CD1 4.2Å; F679-F711 HydrophobicContact CD2-CE1 4.47Å; F679-F711 HydrophobicContact CE1-CB 4.31Å; F679-F711 HydrophobicContact CE2-CB 4.09Å; F679-F711 AromaticContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD2 4.24Å; F679-F711 AromaticContact CE2-CE1 3.72Å; F679-F711 HydrophobicContact CE2-CE1 3.72Å; F679-F711 AromaticContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CZ 4.3Å; F679-F711 HydrophobicContact CZ-CB 3.57Å; F679-F711 AromaticContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD2 4.18Å; F679-F711 HydrophobicContact CZ-CE1 4.5Å; F679-F711 AromaticContact CZ-CG 3.58Å; F679-F711 HydrophobicContact CZ-CG 3.58Å; L707-F711 WeakPolarHBondContact O-CB 3.45Å; L707-F711 PolarHBondContact O-N 3.35Å; Y708-F711 WeakPolarHBondContact O-CA 3.37Å; Y708-F711 WeakPolarHBondContact O-CB 3.21Å; Y708-F711 PolarHBondContact O-N 3.26Å; E709-F711 VanDerWaalsContact C-N 3.29Å; E709-F711 PolarHBondContact O-N 3.02Å; F711-L713 PolarHBondContact O-N 2.86Å; F711-V714 PolarHBondContact O-N 2.81Å; F711-V715 HydrophobicContact CD1-CG2 4.17Å; F711-V715 HydrophobicContact CD2-CG2 4.05Å; F711-V715 HydrophobicContact CE1-CG2 3.89Å; F711-V715 HydrophobicContact CE2-CG2 3.75Å; F711-V715 HydrophobicContact CG-CG2 4.26Å; F711-V715 HydrophobicContact CZ-CG2 3.68Å; F711-V715 WeakPolarHBondContact O-CB 3.32Å; F711-V715 WeakPolarHBondContact O-CG2 3.5Å; F711-V715 PolarHBondContact O-N 2.85Å; F711-Y753 WeakPolarHBondContact CD2-OH 3.39Å; F711-L757 HydrophobicContact CB-CD1 4.12Å; F711-L757 HydrophobicContact CB-CD2 4.14Å; F711-L757 HydrophobicContact CD2-CB 4.35Å; F711-L757 HydrophobicContact CD2-CD2 4.2Å; F711-Y760 HydrophobicContact CD2-CD1 4.41Å; F711-Y760 HydrophobicContact CE1-CD1 4.49Å; F711-Y760 HydrophobicContact CE1-CE1 4.19Å; F711-Y760 AromaticContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CE1 4.18Å; F711-Y760 AromaticContact CZ-CD1 3.7Å; F711-Y760 HydrophobicContact CZ-CD1 3.7Å; F711-Y760 AromaticContact CZ-CE1 3.76Å; F711-Y760 HydrophobicContact CZ-CE1 3.76Å; F711-E761 HydrophobicContact CE2-CB 4.18Å; F711-L765 HydrophobicContact CE1-CD1 4.27Å; F711-L765 HydrophobicContact CZ-CD1 3.71Å; F711-L765 HydrophobicContact CZ-CG 4.5Å |
| 712 | Q | 96.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.5 | -50.7 | -178.9 | -61.2 | -59.8 | -10.3 | 0 | 0 | 112.1 | Y708 E709 V714 V715 A716 | Y708-Q712 HydrophobicContact CD2-CG 4.49Å; Y708-Q712 HydrophobicContact CE1-CG 4.33Å; Y708-Q712 HydrophobicContact CE2-CG 4.21Å; Y708-Q712 VanDerWaalsContact CE2-NE2 3.33Å; Y708-Q712 WeakPolarHBondContact O-CG 3.42Å; Y708-Q712 PolarHBondContact O-N 3.29Å; E709-Q712 PolarHBondContact O-N 3.21Å; Q712-V714 PolarHBondContact O-N 2.85Å; Q712-V715 PolarHBondContact O-N 2.9Å; Q712-A716 WeakPolarHBondContact O-CB 3.48Å; Q712-A716 PolarHBondContact O-N 3.1Å |
| 713 | L | 97.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -26.8 | -177.2 | -72.2 | 169.8 | 0 | 0 | 0 | 114.5 | E709 F711 R717 I732 L736 | E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.19Å; E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.4Å; E709-L713 PolarHBondContact O-N 2.87Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.49Å; E709-L713 WeakPolarHBondContact OE1-CD2 3.21Å; E709-L713 WeakPolarHBondContact OE1-CG 3.26Å; F711-L713 PolarHBondContact O-N 2.86Å; L713-R717 WeakPolarHBondContact O-CD 3.43Å; L713-R717 WeakPolarHBondContact O-CG 3.47Å; L713-R717 PolarHBondContact O-NH1 2.8Å; L713-I732 HydrophobicContact CB-CD1 3.88Å; L713-I732 WeakPolarHBondContact O-CD1 3.17Å; L713-L736 HydrophobicContact CD1-CD2 4.05Å; L713-L736 HydrophobicContact CD1-CG 3.86Å |
| 714 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -88.2 | -43.4 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | L710 F711 Q712 R717 G718 G719 L720 V723 I732 Y753 | L710-V714 HydrophobicContact CD1-CG2 4.1Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; F711-V714 PolarHBondContact O-N 2.81Å; Q712-V714 PolarHBondContact O-N 2.85Å; V714-R717 CarbonylContact O-C 3.52Å; V714-R717 WeakPolarHBondContact O-CA 3.47Å; V714-R717 PolarHBondContact O-N 3.01Å; V714-G718 PolarHBondContact O-N 2.94Å; V714-G719 VanDerWaalsContact CG1-C 3.5Å; V714-G719 WeakPolarHBondContact O-CA 3.49Å; V714-G719 PolarHBondContact O-N 2.91Å; V714-L720 HydrophobicContact CG1-CB 4.43Å; V714-V723 HydrophobicContact CB-CG2 4.37Å; V714-V723 HydrophobicContact CG1-CG2 4Å; V714-V723 HydrophobicContact CG2-CG2 4.37Å; V714-I732 HydrophobicContact CG2-CD1 3.69Å; V714-I732 HydrophobicContact CG2-CG1 4.21Å; V714-I732 HydrophobicContact CG2-CG2 4.37Å; V714-Y753 HydrophobicContact CB-CD2 4.15Å; V714-Y753 HydrophobicContact CB-CE2 3.46Å; V714-Y753 VanDerWaalsContact CB-CE2 3.46Å; V714-Y753 HydrophobicContact CG1-CD2 4.21Å; V714-Y753 HydrophobicContact CG1-CE1 4.3Å; V714-Y753 HydrophobicContact CG1-CE2 3.58Å; V714-Y753 HydrophobicContact CG2-CD2 3.81Å; V714-Y753 HydrophobicContact CG2-CE2 3.63Å |
| 715 | V | 97.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 21% | 0.212 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 175.6 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | F711 Q712 R717 G718 L765 L767 | F711-V715 HydrophobicContact CD1-CG2 4.17Å; F711-V715 HydrophobicContact CD2-CG2 4.05Å; F711-V715 HydrophobicContact CE1-CG2 3.89Å; F711-V715 HydrophobicContact CE2-CG2 3.75Å; F711-V715 HydrophobicContact CG-CG2 4.26Å; F711-V715 HydrophobicContact CZ-CG2 3.68Å; F711-V715 WeakPolarHBondContact O-CB 3.32Å; F711-V715 WeakPolarHBondContact O-CG2 3.5Å; F711-V715 PolarHBondContact O-N 2.85Å; Q712-V715 PolarHBondContact O-N 2.9Å; V715-R717 PolarHBondContact O-N 2.83Å; V715-G718 PolarHBondContact O-N 3.31Å; V715-L765 HydrophobicContact CB-CD1 4.3Å; V715-L765 HydrophobicContact CG1-CD1 3.61Å; V715-L765 HydrophobicContact CG2-CD1 3.63Å; V715-L767 HydrophobicContact CG1-CD1 4.3Å; V715-L767 HydrophobicContact CG2-CD1 4.23Å |
| 716 | A | 96.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 33.7 Ų | 33.7 | 72% | 0.719 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q712 | Q712-A716 WeakPolarHBondContact O-CB 3.48Å; Q712-A716 PolarHBondContact O-N 3.1Å |
| 717 | R | 96.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 25% | 0.253 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 10.5 | 175 | -77 | 175.8 | 173.7 | 72.5 | 9.8 | 113.9 | L713 V714 V715 E722 V723 L728 E731 | L713-R717 WeakPolarHBondContact O-CD 3.43Å; L713-R717 WeakPolarHBondContact O-CG 3.47Å; L713-R717 PolarHBondContact O-NH1 2.8Å; V714-R717 CarbonylContact O-C 3.52Å; V714-R717 WeakPolarHBondContact O-CA 3.47Å; V714-R717 PolarHBondContact O-N 3.01Å; V715-R717 PolarHBondContact O-N 2.83Å; R717-E722 WeakPolarHBondContact O-CG 3.42Å; R717-V723 HydrophobicContact CB-CG2 3.57Å; R717-L728 HydrophobicContact CB-CD1 4.01Å; R717-L728 HydrophobicContact CG-CD1 3.97Å; R717-E731 IonicContact CZ-OE2 3.25Å; R717-E731 VanDerWaalsContact CZ-OE2 3.25Å; R717-E731 IonicContact NE-OE2 2.81Å; R717-E731 PolarHBondContact NE-OE2 2.94Å; R717-E731 IonicContact NH2-OE2 2.81Å; R717-E731 PolarHBondContact NH2-OE2 3.4Å |
| 718 | G | 96.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 40 Ų | 40 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V714 V715 E722 | V714-G718 PolarHBondContact O-N 2.94Å; V715-G718 PolarHBondContact O-N 3.31Å; G718-E722 WeakPolarHBondContact O-CB 3.31Å |
| 719 | G | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | 88.4 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V714 V721 E722 V723 E761 | V714-G719 VanDerWaalsContact CG1-C 3.5Å; V714-G719 WeakPolarHBondContact O-CA 3.49Å; V714-G719 PolarHBondContact O-N 2.91Å; G719-V721 VanDerWaalsContact C-N 3.33Å; G719-V721 PolarHBondContact O-N 3.41Å; G719-E722 PolarHBondContact O-N 3.05Å; G719-V723 PolarHBondContact O-N 3.48Å; G719-V723 VanDerWaalsContact O-N 3.1Å; G719-E761 WeakPolarHBondContact CA-OE1 3.27Å |
| 720 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | -170.2 | 178.1 | 65.8 | 0 | 0 | 0 | 112.7 | V714 E722 I724 W729 R750 Y753 M754 Y758 E761 L773 | V714-L720 HydrophobicContact CG1-CB 4.43Å; L720-E722 VanDerWaalsContact C-N 3.32Å; L720-E722 PolarHBondContact O-N 2.9Å; L720-I724 HydrophobicContact CD1-CD1 4.15Å; L720-I724 HydrophobicContact CG-CD1 3.99Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 2.71Å; L720-I724 VanDerWaalsContact O-N 3.11Å; L720-W729 HydrophobicContact CD1-CH2 3.54Å; L720-W729 HydrophobicContact CD1-CZ2 3.54Å; L720-R750 HydrophobicContact CD1-CG 4.4Å; L720-Y753 HydrophobicContact CB-CD1 4.08Å; L720-Y753 HydrophobicContact CB-CE1 4.03Å; L720-Y753 HydrophobicContact CD1-CD1 3.8Å; L720-Y753 HydrophobicContact CD1-CG 3.98Å; L720-Y753 HydrophobicContact CD2-CD1 4.03Å; L720-Y753 HydrophobicContact CG-CD1 4.18Å; L720-M754 HydrophobicContact CD2-CG 3.6Å; L720-Y758 HydrophobicContact CB-CD2 3.83Å; L720-Y758 HydrophobicContact CB-CE2 4.22Å; L720-Y758 HydrophobicContact CD2-CD2 3.39Å; L720-Y758 HydrophobicContact CD2-CE2 4.03Å; L720-Y758 HydrophobicContact CD2-CG 3.73Å; L720-Y758 HydrophobicContact CG-CD2 4.22Å; L720-E761 WeakPolarHBondContact CB-OE2 3.42Å; L720-E761 PolarHBondContact N-OE1 3.38Å; L720-E761 PolarHBondContact N-OE2 3.24Å; L720-L773 HydrophobicContact CD2-CD1 3.66Å; L720-L773 HydrophobicContact CD2-CD2 3.81Å; L720-L773 HydrophobicContact CD2-CG 4.41Å; L720-L773 HydrophobicContact CG-CD1 4.01Å |
| 721 | V | 97.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | -178.6 | 169.5 | 0 | 0 | 0 | 0 | 111 | G719 I724 N725 S768 E772 L773 A776 | G719-V721 VanDerWaalsContact C-N 3.33Å; G719-V721 PolarHBondContact O-N 3.41Å; V721-I724 WeakPolarHBondContact O-CB 3.42Å; V721-I724 PolarHBondContact O-N 3.45Å; V721-N725 VanDerWaalsContact O-CG 3.27Å; V721-N725 PolarHBondContact O-N 3.06Å; V721-N725 PolarHBondContact O-ND2 2.82Å; V721-S768 VanDerWaalsContact CG2-CB 3.41Å; V721-S768 VanDerWaalsContact CG2-OG 3.3Å; V721-S768 WeakPolarHBondContact CG2-OG 3.21Å; V721-E772 HydrophobicContact CG1-CB 4.47Å; V721-E772 HydrophobicContact CG2-CB 4.49Å; V721-L773 HydrophobicContact CG2-CB 3.82Å; V721-L773 HydrophobicContact CG2-CD1 4.08Å; V721-A776 HydrophobicContact CG1-CB 4.05Å |
| 722 | E | 97.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.2 | -37.3 | -176.9 | -168.3 | 63.8 | 172.5 | 0 | 0 | 112.4 | R717 G718 G719 L720 I724 N725 K726 | R717-E722 WeakPolarHBondContact O-CG 3.42Å; G718-E722 WeakPolarHBondContact O-CB 3.31Å; G719-E722 PolarHBondContact O-N 3.05Å; L720-E722 VanDerWaalsContact C-N 3.32Å; L720-E722 PolarHBondContact O-N 2.9Å; E722-I724 PolarHBondContact O-N 3.2Å; E722-N725 PolarHBondContact O-N 2.82Å; E722-N725 PolarHBondContact OE2-ND2 3.39Å; E722-K726 HydrophobicContact CG-CD 4.05Å; E722-K726 WeakPolarHBondContact O-CB 3.33Å; E722-K726 PolarHBondContact O-N 2.91Å; E722-K726 WeakPolarHBondContact OE1-CD 3.2Å; E722-K726 WeakPolarHBondContact OE1-CE 3.07Å; E722-K726 IonicContact OE1-NZ 2.76Å; E722-K726 PolarHBondContact OE1-NZ 3Å |
| 723 | V | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -32.3 | 169.4 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | V714 R717 G719 K727 L728 W729 I732 | V714-V723 HydrophobicContact CB-CG2 4.37Å; V714-V723 HydrophobicContact CG1-CG2 4Å; V714-V723 HydrophobicContact CG2-CG2 4.37Å; R717-V723 HydrophobicContact CB-CG2 3.57Å; G719-V723 PolarHBondContact O-N 3.48Å; G719-V723 VanDerWaalsContact O-N 3.1Å; V723-K727 CarbonylContact O-C 3.55Å; V723-K727 WeakPolarHBondContact O-CA 3.2Å; V723-K727 PolarHBondContact O-N 3.24Å; V723-L728 HydrophobicContact CG1-CB 4.27Å; V723-L728 PolarHBondContact O-N 2.65Å; V723-W729 HydrophobicContact CB-CZ2 4.49Å; V723-W729 HydrophobicContact CG1-CD2 3.74Å; V723-W729 HydrophobicContact CG1-CE3 4.09Å; V723-W729 HydrophobicContact CG1-CG 4.15Å; V723-W729 HydrophobicContact CG1-CH2 4.09Å; V723-W729 HydrophobicContact CG1-CZ2 3.76Å; V723-W729 HydrophobicContact CG1-CZ3 4.25Å; V723-I732 HydrophobicContact CG1-CD1 4.33Å; V723-I732 HydrophobicContact CG1-CG1 3.87Å; V723-I732 HydrophobicContact CG2-CD1 4.3Å |
| 724 | I | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.5 | -50.7 | 172.3 | -69.2 | 168.1 | 0 | 0 | 0 | 110.7 | L720 V721 E722 K727 W729 R750 L773 A776 I777 N780 | L720-I724 HydrophobicContact CD1-CD1 4.15Å; L720-I724 HydrophobicContact CG-CD1 3.99Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 2.71Å; L720-I724 VanDerWaalsContact O-N 3.11Å; V721-I724 WeakPolarHBondContact O-CB 3.42Å; V721-I724 PolarHBondContact O-N 3.45Å; E722-I724 PolarHBondContact O-N 3.2Å; I724-K727 PolarHBondContact O-N 2.91Å; I724-W729 HydrophobicContact CG1-CZ2 3.97Å; I724-R750 HydrophobicContact CD1-CG 4.14Å; I724-L773 HydrophobicContact CD1-CD1 3.48Å; I724-L773 VanDerWaalsContact CD1-CD1 3.48Å; I724-A776 HydrophobicContact CB-CB 4.43Å; I724-A776 HydrophobicContact CG2-CB 3.87Å; I724-I777 HydrophobicContact CD1-CG1 4.34Å; I724-N780 VanDerWaalsContact CG2-ND2 3.26Å; I724-N780 WeakPolarHBondContact CG2-ND2 3.39Å; I724-N780 PolarHBondContact O-ND2 3.4Å |
| 725 | N | 96.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -53.2 | -178.1 | -70.1 | -24.1 | 0 | 0 | 0 | 112.4 | V721 E722 K727 A776 | V721-N725 VanDerWaalsContact O-CG 3.27Å; V721-N725 PolarHBondContact O-N 3.06Å; V721-N725 PolarHBondContact O-ND2 2.82Å; E722-N725 PolarHBondContact O-N 2.82Å; E722-N725 PolarHBondContact OE2-ND2 3.39Å; N725-K727 PolarHBondContact O-N 3.28Å; N725-A776 WeakPolarHBondContact OD1-CB 3.3Å |
| 726 | K | 96.3 | Very high | 96.2 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 55% | 0.548 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -0.6 | 177.6 | -71.8 | 177.3 | 170.4 | 139.5 | 0 | 113.6 | E722 L728 | E722-K726 HydrophobicContact CG-CD 4.05Å; E722-K726 WeakPolarHBondContact O-CB 3.33Å; E722-K726 PolarHBondContact O-N 2.91Å; E722-K726 WeakPolarHBondContact OE1-CD 3.2Å; E722-K726 WeakPolarHBondContact OE1-CE 3.07Å; E722-K726 IonicContact OE1-NZ 2.76Å; E722-K726 PolarHBondContact OE1-NZ 3Å; K726-L728 HydrophobicContact CB-CD1 3.78Å; K726-L728 HydrophobicContact CB-CD2 3.85Å; K726-L728 HydrophobicContact CB-CG 3.53Å; K726-L728 HydrophobicContact CD-CD1 4.03Å; K726-L728 PolarHBondContact O-N 2.8Å |
| 727 | K | 95.5 | Very high | 96.1 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 53% | 0.53 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 26.2 | 177 | -57.1 | 169.7 | -175.4 | 170.2 | 0 | 114.2 | V723 I724 N725 W729 N780 | V723-K727 CarbonylContact O-C 3.55Å; V723-K727 WeakPolarHBondContact O-CA 3.2Å; V723-K727 PolarHBondContact O-N 3.24Å; I724-K727 PolarHBondContact O-N 2.91Å; N725-K727 PolarHBondContact O-N 3.28Å; K727-W729 PolarHBondContact O-N 2.76Å; K727-N780 WeakPolarHBondContact CE-OD1 3.28Å |
| 728 | L | 96.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 4.1 | -169 | -54.2 | 175.1 | 0 | 0 | 0 | 115.2 | R717 V723 K726 R730 E731 I732 | R717-L728 HydrophobicContact CB-CD1 4.01Å; R717-L728 HydrophobicContact CG-CD1 3.97Å; V723-L728 HydrophobicContact CG1-CB 4.27Å; V723-L728 PolarHBondContact O-N 2.65Å; K726-L728 HydrophobicContact CB-CD1 3.78Å; K726-L728 HydrophobicContact CB-CD2 3.85Å; K726-L728 HydrophobicContact CB-CG 3.53Å; K726-L728 HydrophobicContact CD-CD1 4.03Å; K726-L728 PolarHBondContact O-N 2.8Å; L728-R730 PolarHBondContact O-N 3.13Å; L728-E731 WeakPolarHBondContact CD2-OE1 3.17Å; L728-E731 WeakPolarHBondContact O-CA 3.47Å; L728-E731 WeakPolarHBondContact O-CB 3.48Å; L728-E731 PolarHBondContact O-N 2.82Å; L728-I732 PolarHBondContact O-N 3.19Å |
| 729 | W | 95.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.1 | -26.5 | -178.2 | -70.4 | 104.1 | 0 | 0 | 0 | 115.1 | L720 V723 I724 K727 E731 I732 T733 A746 L749 R750 | L720-W729 HydrophobicContact CD1-CH2 3.54Å; L720-W729 HydrophobicContact CD1-CZ2 3.54Å; V723-W729 HydrophobicContact CB-CZ2 4.49Å; V723-W729 HydrophobicContact CG1-CD2 3.74Å; V723-W729 HydrophobicContact CG1-CE3 4.09Å; V723-W729 HydrophobicContact CG1-CG 4.15Å; V723-W729 HydrophobicContact CG1-CH2 4.09Å; V723-W729 HydrophobicContact CG1-CZ2 3.76Å; V723-W729 HydrophobicContact CG1-CZ3 4.25Å; I724-W729 HydrophobicContact CG1-CZ2 3.97Å; K727-W729 PolarHBondContact O-N 2.76Å; W729-E731 VanDerWaalsContact C-N 3.32Å; W729-I732 HydrophobicContact CE3-CB 4.28Å; W729-I732 HydrophobicContact CE3-CG1 4.16Å; W729-I732 HydrophobicContact CE3-CG2 4.43Å; W729-I732 HydrophobicContact CZ3-CG1 4.46Å; W729-I732 HydrophobicContact CZ3-CG2 4.43Å; W729-T733 WeakPolarHBondContact O-CB 3.47Å; W729-T733 PolarHBondContact O-N 3.38Å; W729-T733 PolarHBondContact O-OG1 2.98Å; W729-A746 HydrophobicContact CB-CB 3.38Å; W729-A746 HydrophobicContact CG-CB 3.82Å; W729-L749 HydrophobicContact CE3-CB 3.8Å; W729-L749 HydrophobicContact CE3-CD1 4.45Å; W729-L749 HydrophobicContact CZ3-CB 3.71Å; W729-R750 HydrophobicContact CD2-CB 4.5Å; W729-R750 VanDerWaalsContact CH2-CA 3.5Å; W729-R750 HydrophobicContact CH2-CB 3.8Å; W729-R750 HydrophobicContact CH2-CG 4.3Å; W729-R750 HydrophobicContact CZ2-CB 3.52Å; W729-R750 HydrophobicContact CZ2-CG 3.75Å; W729-R750 HydrophobicContact CZ3-CB 4.37Å |
| 730 | R | 94.1 | Very high | 95.4 | Very high | 213 Ų | 213 | 62.7 Ų | 62.7 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 172.4 | -73 | -177.5 | 175.9 | 173.3 | -1.9 | 112 | L728 T733 K734 | L728-R730 PolarHBondContact O-N 3.13Å; R730-T733 PolarHBondContact O-N 3.36Å; R730-K734 PolarHBondContact O-N 2.88Å; R730-K734 VanDerWaalsContact O-N 3.11Å |
| 731 | E | 96.2 | Very high | 95.1 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.7 | -41.8 | 176.6 | -58.8 | 174.1 | -160.2 | 0 | 0 | 111.6 | R717 L728 W729 T733 K734 G735 | R717-E731 IonicContact CZ-OE2 3.25Å; R717-E731 VanDerWaalsContact CZ-OE2 3.25Å; R717-E731 IonicContact NE-OE2 2.81Å; R717-E731 PolarHBondContact NE-OE2 2.94Å; R717-E731 IonicContact NH2-OE2 2.81Å; R717-E731 PolarHBondContact NH2-OE2 3.4Å; L728-E731 WeakPolarHBondContact CD2-OE1 3.17Å; L728-E731 WeakPolarHBondContact O-CA 3.47Å; L728-E731 WeakPolarHBondContact O-CB 3.48Å; L728-E731 PolarHBondContact O-N 2.82Å; W729-E731 VanDerWaalsContact C-N 3.32Å; E731-T733 PolarHBondContact O-N 3.47Å; E731-K734 WeakPolarHBondContact O-CB 3.34Å; E731-K734 PolarHBondContact O-N 2.9Å; E731-K734 VanDerWaalsContact O-N 3.08Å; E731-G735 PolarHBondContact O-N 3.09Å |
| 732 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 171.8 | -52.2 | -61.2 | 0 | 0 | 0 | 110.3 | L710 L713 V714 V723 L728 W729 K734 G735 L736 L749 | L710-I732 HydrophobicContact CD1-CG2 3.71Å; L713-I732 HydrophobicContact CB-CD1 3.88Å; L713-I732 WeakPolarHBondContact O-CD1 3.17Å; V714-I732 HydrophobicContact CG2-CD1 3.69Å; V714-I732 HydrophobicContact CG2-CG1 4.21Å; V714-I732 HydrophobicContact CG2-CG2 4.37Å; V723-I732 HydrophobicContact CG1-CD1 4.33Å; V723-I732 HydrophobicContact CG1-CG1 3.87Å; V723-I732 HydrophobicContact CG2-CD1 4.3Å; L728-I732 PolarHBondContact O-N 3.19Å; W729-I732 HydrophobicContact CE3-CB 4.28Å; W729-I732 HydrophobicContact CE3-CG1 4.16Å; W729-I732 HydrophobicContact CE3-CG2 4.43Å; W729-I732 HydrophobicContact CZ3-CG1 4.46Å; W729-I732 HydrophobicContact CZ3-CG2 4.43Å; I732-K734 PolarHBondContact O-N 3.49Å; I732-G735 PolarHBondContact O-N 2.91Å; I732-L736 HydrophobicContact CG2-CD1 3.98Å; I732-L736 WeakPolarHBondContact O-CG 3.44Å; I732-L736 PolarHBondContact O-N 3Å; I732-L736 VanDerWaalsContact O-N 3.08Å; I732-L749 HydrophobicContact CG2-CD1 4.15Å |
| 733 | T | 96 | Very high | 94.7 | Very high | 11 Ų | 11 | 72.7 Ų | 72.7 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.5 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | W729 R730 E731 L738 A745 L749 | W729-T733 WeakPolarHBondContact O-CB 3.47Å; W729-T733 PolarHBondContact O-N 3.38Å; W729-T733 PolarHBondContact O-OG1 2.98Å; R730-T733 PolarHBondContact O-N 3.36Å; E731-T733 PolarHBondContact O-N 3.47Å; T733-L738 HydrophobicContact CG2-CB 3.8Å; T733-L738 WeakPolarHBondContact O-CB 3.49Å; T733-L738 PolarHBondContact O-N 3.08Å; T733-A745 HydrophobicContact CG2-CB 3.77Å; T733-L749 WeakPolarHBondContact OG1-CD1 3.43Å |
| 734 | K | 95.2 | Very high | 94.5 | Very high | 161 Ų | 161 | 75.8 Ų | 75.8 | 70% | 0.7 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 174.6 | -75 | -176.8 | 173.7 | -169.4 | 0 | 112.7 | R730 E731 I732 L736 N737 | R730-K734 PolarHBondContact O-N 2.88Å; R730-K734 VanDerWaalsContact O-N 3.11Å; E731-K734 WeakPolarHBondContact O-CB 3.34Å; E731-K734 PolarHBondContact O-N 2.9Å; E731-K734 VanDerWaalsContact O-N 3.08Å; I732-K734 PolarHBondContact O-N 3.49Å; K734-L736 VanDerWaalsContact C-N 3.3Å; K734-L736 PolarHBondContact O-N 3.03Å; K734-N737 WeakPolarHBondContact O-CA 3.36Å; K734-N737 PolarHBondContact O-N 2.84Å |
| 735 | G | 94.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 75.9 Ų | 75.9 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E731 I732 N737 | E731-G735 PolarHBondContact O-N 3.09Å; I732-G735 PolarHBondContact O-N 2.91Å; G735-N737 PolarHBondContact O-N 3.19Å; G735-N737 PolarHBondContact O-OD1 3.23Å |
| 736 | L | 94.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 74.2 Ų | 74.2 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 10.7 | 172.1 | -67.1 | 170.6 | 0 | 0 | 0 | 114.1 | L705 D706 E709 L710 L713 I732 K734 L738 L749 | L705-L736 HydrophobicContact CD1-CD1 4.23Å; D706-L736 HydrophobicContact CB-CD2 4.32Å; E709-L736 HydrophobicContact CB-CD2 3.91Å; E709-L736 HydrophobicContact CG-CD2 3.86Å; L710-L736 HydrophobicContact CB-CD1 4.26Å; L710-L736 HydrophobicContact CB-CD2 4.17Å; L710-L736 HydrophobicContact CD1-CD1 4.09Å; L713-L736 HydrophobicContact CD1-CD2 4.05Å; L713-L736 HydrophobicContact CD1-CG 3.86Å; I732-L736 HydrophobicContact CG2-CD1 3.98Å; I732-L736 WeakPolarHBondContact O-CG 3.44Å; I732-L736 PolarHBondContact O-N 3Å; I732-L736 VanDerWaalsContact O-N 3.08Å; K734-L736 VanDerWaalsContact C-N 3.3Å; K734-L736 PolarHBondContact O-N 3.03Å; L736-L738 HydrophobicContact CB-CD1 3.89Å; L736-L738 HydrophobicContact CB-CG 3.86Å; L736-L738 HydrophobicContact CD1-CD1 4.07Å; L736-L738 PolarHBondContact O-N 2.84Å; L736-L749 HydrophobicContact CD1-CD1 4.31Å; L736-L749 HydrophobicContact CD1-CD2 3.51Å |
| 737 | N | 93.1 | Very high | 94.3 | Very high | 151 Ų | 151 | 74.9 Ų | 74.9 | 81% | 0.807 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 23 | -174.8 | -54.8 | 89.1 | 0 | 0 | 0 | 114.3 | K734 G735 | K734-N737 WeakPolarHBondContact O-CA 3.36Å; K734-N737 PolarHBondContact O-N 2.84Å; G735-N737 PolarHBondContact O-N 3.19Å; G735-N737 PolarHBondContact O-OD1 3.23Å |
| 738 | L | 93 | Very high | 94.3 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | | | trans | -80.2 | 140.7 | -175.9 | -69.5 | 171.8 | 0 | 0 | 0 | 110.9 | M700 A701 T733 L736 S740 L749 | M700-L738 HydrophobicContact CG-CD1 4.45Å; M700-L738 HydrophobicContact SD-CD1 3.78Å; A701-L738 HydrophobicContact CB-CD2 4.01Å; T733-L738 HydrophobicContact CG2-CB 3.8Å; T733-L738 WeakPolarHBondContact O-CB 3.49Å; T733-L738 PolarHBondContact O-N 3.08Å; L736-L738 HydrophobicContact CB-CD1 3.89Å; L736-L738 HydrophobicContact CB-CG 3.86Å; L736-L738 HydrophobicContact CD1-CD1 4.07Å; L736-L738 PolarHBondContact O-N 2.84Å; L738-S740 PolarHBondContact O-N 3.21Å; L738-L749 HydrophobicContact CD1-CD1 4.49Å; L738-L749 HydrophobicContact CD1-CD2 4.13Å |
| 739 | P | 92.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | | | trans | -54.1 | 123 | 178 | -28.3 | 34.5 | 0 | 0 | 0 | 113.1 | S741 I742 | P739-S741 PolarHBondContact O-N 3.22Å; P739-S741 VanDerWaalsContact O-N 3.08Å; P739-I742 HydrophobicContact CB-CD1 4.16Å; P739-I742 HydrophobicContact CB-CG1 4.26Å; P739-I742 HydrophobicContact CG-CD1 4.32Å; P739-I742 WeakPolarHBondContact O-CB 3.2Å; P739-I742 VanDerWaalsContact O-CG1 3.31Å; P739-I742 WeakPolarHBondContact O-CG1 3.28Å; P739-I742 PolarHBondContact O-N 2.54Å |
| 740 | S | 89.9 | Confident | 94.4 | Very high | 116 Ų | 116 | 71.2 Ų | 71.2 | 81% | 0.811 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.6 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | L738 I742 | L738-S740 PolarHBondContact O-N 3.21Å; S740-I742 PolarHBondContact O-N 2.81Å |
| 741 | S | 92.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 63.7 Ų | 63.7 | 67% | 0.671 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.1 | 173.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | P739 T743 | P739-S741 PolarHBondContact O-N 3.22Å; P739-S741 VanDerWaalsContact O-N 3.08Å; S741-T743 VanDerWaalsContact C-N 3.34Å; S741-T743 PolarHBondContact O-N 2.81Å; S741-T743 PolarHBondContact O-OG1 3.01Å |
| 742 | I | 92.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | | | trans | -75 | 85.4 | 179.9 | -56.8 | 168.1 | 0 | 0 | 0 | 109.5 | A701 P739 S740 S744 A745 | A701-I742 HydrophobicContact CB-CD1 3.69Å; P739-I742 HydrophobicContact CB-CD1 4.16Å; P739-I742 HydrophobicContact CB-CG1 4.26Å; P739-I742 HydrophobicContact CG-CD1 4.32Å; P739-I742 WeakPolarHBondContact O-CB 3.2Å; P739-I742 VanDerWaalsContact O-CG1 3.31Å; P739-I742 WeakPolarHBondContact O-CG1 3.28Å; P739-I742 PolarHBondContact O-N 2.54Å; S740-I742 PolarHBondContact O-N 2.81Å; I742-S744 PolarHBondContact O-N 3.33Å; I742-A745 HydrophobicContact CB-CB 4.13Å; I742-A745 HydrophobicContact CG2-CB 3.94Å; I742-A745 WeakPolarHBondContact O-CB 3.36Å; I742-A745 PolarHBondContact O-N 2.78Å |
| 743 | T | 92.7 | Very high | 94.5 | Very high | 146 Ų | 146 | 61.6 Ų | 61.6 | 90% | 0.896 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | -176.4 | -35.2 | 0 | 0 | 0 | 0 | 113.5 | S741 | S741-T743 VanDerWaalsContact C-N 3.34Å; S741-T743 PolarHBondContact O-N 2.81Å; S741-T743 PolarHBondContact O-OG1 3.01Å |
| 744 | S | 94 | Very high | 94.6 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.9 | 178.6 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | I742 A746 F747 T748 | I742-S744 PolarHBondContact O-N 3.33Å; S744-A746 VanDerWaalsContact C-N 3.34Å; S744-A746 PolarHBondContact O-N 2.84Å; S744-F747 PolarHBondContact O-N 2.82Å; S744-T748 PolarHBondContact O-N 2.81Å; S744-T748 PolarHBondContact O-OG1 2.88Å; S744-T748 VanDerWaalsContact O-OG1 3.12Å |
| 745 | A | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -52.8 | -48.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T733 I742 F747 T748 L749 | T733-A745 HydrophobicContact CG2-CB 3.77Å; I742-A745 HydrophobicContact CB-CB 4.13Å; I742-A745 HydrophobicContact CG2-CB 3.94Å; I742-A745 WeakPolarHBondContact O-CB 3.36Å; I742-A745 PolarHBondContact O-N 2.78Å; A745-F747 VanDerWaalsContact C-N 3.31Å; A745-F747 PolarHBondContact O-N 2.83Å; A745-T748 PolarHBondContact O-N 3.32Å; A745-T748 VanDerWaalsContact O-N 3.16Å; A745-L749 HydrophobicContact CB-CD1 4.4Å; A745-L749 VanDerWaalsContact O-CB 3.28Å; A745-L749 WeakPolarHBondContact O-CB 3.39Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.43Å; A745-L749 PolarHBondContact O-N 2.89Å |
| 746 | A | 94.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W729 S744 R750 | W729-A746 HydrophobicContact CB-CB 3.38Å; W729-A746 HydrophobicContact CG-CB 3.82Å; S744-A746 VanDerWaalsContact C-N 3.34Å; S744-A746 PolarHBondContact O-N 2.84Å; A746-R750 WeakPolarHBondContact O-CB 3.4Å; A746-R750 PolarHBondContact O-N 2.82Å |
| 747 | F | 95 | Very high | 94.8 | Very high | 140 Ų | 140 | 60.3 Ų | 60.3 | 61% | 0.614 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.5 | -42 | 177.3 | 178.5 | -97.4 | 0 | 0 | 0 | 111.5 | S744 A745 T751 | S744-F747 PolarHBondContact O-N 2.82Å; A745-F747 VanDerWaalsContact C-N 3.31Å; A745-F747 PolarHBondContact O-N 2.83Å; F747-T751 WeakPolarHBondContact O-CB 3.35Å; F747-T751 PolarHBondContact O-N 3.4Å; F747-T751 PolarHBondContact O-OG1 2.8Å |
| 748 | T | 95.7 | Very high | 95 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -48.4 | -179.1 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | M700 S744 A745 T751 Q752 | M700-T748 HydrophobicContact CE-CG2 3.53Å; M700-T748 HydrophobicContact SD-CG2 4.33Å; S744-T748 PolarHBondContact O-N 2.81Å; S744-T748 PolarHBondContact O-OG1 2.88Å; S744-T748 VanDerWaalsContact O-OG1 3.12Å; A745-T748 PolarHBondContact O-N 3.32Å; A745-T748 VanDerWaalsContact O-N 3.16Å; T748-T751 PolarHBondContact O-N 2.85Å; T748-T751 VanDerWaalsContact O-N 3.13Å; T748-Q752 WeakPolarHBondContact O-CG 3.37Å; T748-Q752 PolarHBondContact O-N 3.43Å |
| 749 | L | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 177.4 | -71 | 169.3 | 0 | 0 | 0 | 110.7 | M700 L705 L710 W729 I732 T733 L736 L738 A745 T751 Q752 Y753 | M700-L749 HydrophobicContact CE-CD2 3.45Å; M700-L749 VanDerWaalsContact CE-CD2 3.45Å; M700-L749 HydrophobicContact CE-CG 3.76Å; M700-L749 HydrophobicContact SD-CD2 3.94Å; M700-L749 HydrophobicContact SD-CG 4Å; L705-L749 HydrophobicContact CD1-CD2 3.8Å; L705-L749 HydrophobicContact CD2-CD2 4.46Å; L710-L749 HydrophobicContact CD1-CD2 4.23Å; L710-L749 HydrophobicContact CD2-CD2 4.38Å; W729-L749 HydrophobicContact CE3-CB 3.8Å; W729-L749 HydrophobicContact CE3-CD1 4.45Å; W729-L749 HydrophobicContact CZ3-CB 3.71Å; I732-L749 HydrophobicContact CG2-CD1 4.15Å; T733-L749 WeakPolarHBondContact OG1-CD1 3.43Å; L736-L749 HydrophobicContact CD1-CD1 4.31Å; L736-L749 HydrophobicContact CD1-CD2 3.51Å; L738-L749 HydrophobicContact CD1-CD1 4.49Å; L738-L749 HydrophobicContact CD1-CD2 4.13Å; A745-L749 HydrophobicContact CB-CD1 4.4Å; A745-L749 VanDerWaalsContact O-CB 3.28Å; A745-L749 WeakPolarHBondContact O-CB 3.39Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.43Å; A745-L749 PolarHBondContact O-N 2.89Å; L749-T751 VanDerWaalsContact C-N 3.27Å; L749-T751 PolarHBondContact O-N 3.12Å; L749-Q752 PolarHBondContact O-N 3.17Å; L749-Y753 WeakPolarHBondContact O-CB 3.35Å; L749-Y753 PolarHBondContact O-N 2.84Å |
| 750 | R | 96.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.4 | -42.9 | 173.7 | -175.7 | -174.3 | 135.9 | -164.1 | -13.2 | 112.2 | L720 I724 W729 A746 Y753 M754 I777 | L720-R750 HydrophobicContact CD1-CG 4.4Å; I724-R750 HydrophobicContact CD1-CG 4.14Å; W729-R750 HydrophobicContact CD2-CB 4.5Å; W729-R750 VanDerWaalsContact CH2-CA 3.5Å; W729-R750 HydrophobicContact CH2-CB 3.8Å; W729-R750 HydrophobicContact CH2-CG 4.3Å; W729-R750 HydrophobicContact CZ2-CB 3.52Å; W729-R750 HydrophobicContact CZ2-CG 3.75Å; W729-R750 HydrophobicContact CZ3-CB 4.37Å; A746-R750 WeakPolarHBondContact O-CB 3.4Å; A746-R750 PolarHBondContact O-N 2.82Å; R750-Y753 PolarHBondContact O-N 2.89Å; R750-M754 HydrophobicContact CG-CG 4.35Å; R750-M754 HydrophobicContact CG-SD 4Å; R750-M754 PolarHBondContact NE-SD 3.47Å; R750-M754 WeakPolarHBondContact O-CB 3.49Å; R750-M754 VanDerWaalsContact O-CG 3.24Å; R750-M754 WeakPolarHBondContact O-CG 3.45Å; R750-M754 PolarHBondContact O-N 3.44Å; R750-I777 VanDerWaalsContact NH2-CD1 3.29Å; R750-I777 VanDerWaalsContact NH2-CG1 3.33Å |
| 751 | T | 96.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 46 Ų | 46 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | F747 T748 L749 K755 | F747-T751 WeakPolarHBondContact O-CB 3.35Å; F747-T751 PolarHBondContact O-N 3.4Å; F747-T751 PolarHBondContact O-OG1 2.8Å; T748-T751 PolarHBondContact O-N 2.85Å; T748-T751 VanDerWaalsContact O-N 3.13Å; L749-T751 VanDerWaalsContact C-N 3.27Å; L749-T751 PolarHBondContact O-N 3.12Å; T751-K755 WeakPolarHBondContact O-CB 3.44Å; T751-K755 PolarHBondContact O-N 2.88Å |
| 752 | Q | 96.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.7 | -44.4 | 172.5 | -55.8 | -40 | -50.5 | 0 | 0 | 110.8 | P698 L705 T748 L749 M754 K755 Y756 | P698-Q752 HydrophobicContact CB-CG 3.94Å; P698-Q752 HydrophobicContact CG-CG 4.4Å; L705-Q752 HydrophobicContact CD2-CB 3.78Å; L705-Q752 HydrophobicContact CD2-CG 3.68Å; T748-Q752 WeakPolarHBondContact O-CG 3.37Å; T748-Q752 PolarHBondContact O-N 3.43Å; L749-Q752 PolarHBondContact O-N 3.17Å; Q752-M754 PolarHBondContact O-N 2.95Å; Q752-K755 PolarHBondContact O-N 3.13Å; Q752-Y756 HydrophobicContact CB-CD2 4.48Å; Q752-Y756 WeakPolarHBondContact O-CD2 3.4Å; Q752-Y756 PolarHBondContact O-N 3.37Å |
| 753 | Y | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -56.5 | -52.5 | 177.5 | -158.9 | -68.7 | 0 | 0 | 0 | 111 | L710 F711 V714 L720 L749 R750 K755 Y756 L757 Y758 E761 | L710-Y753 HydrophobicContact CD1-CD2 3.91Å; L710-Y753 HydrophobicContact CD2-CD2 4.32Å; L710-Y753 HydrophobicContact CG-CD2 3.8Å; L710-Y753 HydrophobicContact CG-CE2 4.37Å; L710-Y753 WeakPolarHBondContact O-CE2 3.47Å; F711-Y753 WeakPolarHBondContact CD2-OH 3.39Å; V714-Y753 HydrophobicContact CB-CD2 4.15Å; V714-Y753 HydrophobicContact CB-CE2 3.46Å; V714-Y753 VanDerWaalsContact CB-CE2 3.46Å; V714-Y753 HydrophobicContact CG1-CD2 4.21Å; V714-Y753 HydrophobicContact CG1-CE1 4.3Å; V714-Y753 HydrophobicContact CG1-CE2 3.58Å; V714-Y753 HydrophobicContact CG2-CD2 3.81Å; V714-Y753 HydrophobicContact CG2-CE2 3.63Å; L720-Y753 HydrophobicContact CB-CD1 4.08Å; L720-Y753 HydrophobicContact CB-CE1 4.03Å; L720-Y753 HydrophobicContact CD1-CD1 3.8Å; L720-Y753 HydrophobicContact CD1-CG 3.98Å; L720-Y753 HydrophobicContact CD2-CD1 4.03Å; L720-Y753 HydrophobicContact CG-CD1 4.18Å; L749-Y753 WeakPolarHBondContact O-CB 3.35Å; L749-Y753 PolarHBondContact O-N 2.84Å; R750-Y753 PolarHBondContact O-N 2.89Å; Y753-K755 PolarHBondContact O-N 2.89Å; Y753-Y756 PolarHBondContact O-N 3.31Å; Y753-L757 HydrophobicContact CD1-CB 3.82Å; Y753-L757 HydrophobicContact CD2-CB 4.04Å; Y753-L757 HydrophobicContact CD2-CD1 3.66Å; Y753-L757 HydrophobicContact CD2-CG 4.49Å; Y753-L757 HydrophobicContact CE1-CB 3.67Å; Y753-L757 HydrophobicContact CE2-CB 3.9Å; Y753-L757 HydrophobicContact CE2-CD1 3.68Å; Y753-L757 HydrophobicContact CE2-CG 4.45Å; Y753-L757 HydrophobicContact CG-CB 4Å; Y753-L757 HydrophobicContact CG-CD1 4.28Å; Y753-L757 PolarHBondContact O-N 3.01Å; Y753-Y758 PolarHBondContact O-N 3.28Å; Y753-E761 WeakPolarHBondContact CE1-OE2 3.28Å |
| 754 | M | 96.6 | Very high | 96 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -55 | -27.1 | 176.2 | -76.3 | 179.6 | 66.8 | 0 | 0 | 114.2 | L720 R750 Q752 L773 I777 | L720-M754 HydrophobicContact CD2-CG 3.6Å; R750-M754 HydrophobicContact CG-CG 4.35Å; R750-M754 HydrophobicContact CG-SD 4Å; R750-M754 PolarHBondContact NE-SD 3.47Å; R750-M754 WeakPolarHBondContact O-CB 3.49Å; R750-M754 VanDerWaalsContact O-CG 3.24Å; R750-M754 WeakPolarHBondContact O-CG 3.45Å; R750-M754 PolarHBondContact O-N 3.44Å; Q752-M754 PolarHBondContact O-N 2.95Å; M754-L773 HydrophobicContact CE-CD2 4.09Å; M754-L773 HydrophobicContact CG-CD2 4.26Å; M754-I777 HydrophobicContact CE-CD1 3.96Å; M754-I777 HydrophobicContact SD-CD1 4.13Å |
| 755 | K | 95.6 | Very high | 96.1 | Very high | 117 Ų | 117 | 43.2 Ų | 43.2 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -91.1 | -40.5 | -176.5 | 179.6 | -179.4 | 168.6 | -155.6 | 0 | 113.4 | T751 Q752 Y753 | T751-K755 WeakPolarHBondContact O-CB 3.44Å; T751-K755 PolarHBondContact O-N 2.88Å; Q752-K755 PolarHBondContact O-N 3.13Å; Y753-K755 PolarHBondContact O-N 2.89Å |
| 756 | Y | 96.5 | Very high | 96 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -107.7 | -42.9 | -171.2 | -65.6 | -88.7 | 0 | 0 | 0 | 112.8 | M687 V694 R696 P698 Q752 Y753 | M687-Y756 HydrophobicContact CE-CD1 3.58Å; M687-Y756 HydrophobicContact CE-CE1 4.27Å; M687-Y756 HydrophobicContact CE-CG 4.26Å; M687-Y756 HydrophobicContact SD-CD1 3.74Å; M687-Y756 HydrophobicContact SD-CG 4.38Å; V694-Y756 HydrophobicContact CB-CE1 4.45Å; V694-Y756 HydrophobicContact CG1-CD1 4.42Å; V694-Y756 HydrophobicContact CG1-CE1 3.92Å; V694-Y756 HydrophobicContact CG2-CD1 4Å; V694-Y756 HydrophobicContact CG2-CE1 4.11Å; R696-Y756 PolarHBondContact O-OH 2.96Å; P698-Y756 HydrophobicContact CG-CD2 3.81Å; P698-Y756 HydrophobicContact CG-CE1 4.42Å; P698-Y756 HydrophobicContact CG-CE2 3.33Å; Q752-Y756 HydrophobicContact CB-CD2 4.48Å; Q752-Y756 WeakPolarHBondContact O-CD2 3.4Å; Q752-Y756 PolarHBondContact O-N 3.37Å; Y753-Y756 PolarHBondContact O-N 3.31Å |
| 757 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -103.7 | -35.4 | -167.3 | -64.4 | 174.2 | 0 | 0 | 0 | 113.7 | F679 L683 L707 L710 F711 Y753 Y760 E761 | F679-L757 HydrophobicContact CE1-CD2 4.39Å; F679-L757 HydrophobicContact CZ-CD2 3.87Å; L683-L757 HydrophobicContact CD1-CD2 4.19Å; L683-L757 HydrophobicContact CD2-CD2 3.64Å; L707-L757 HydrophobicContact CB-CD2 4.49Å; L710-L757 HydrophobicContact CB-CD1 4.18Å; L710-L757 HydrophobicContact CD2-CD1 3.93Å; L710-L757 HydrophobicContact CG-CD1 3.76Å; F711-L757 HydrophobicContact CB-CD1 4.12Å; F711-L757 HydrophobicContact CB-CD2 4.14Å; F711-L757 HydrophobicContact CD2-CB 4.35Å; F711-L757 HydrophobicContact CD2-CD2 4.2Å; Y753-L757 HydrophobicContact CD1-CB 3.82Å; Y753-L757 HydrophobicContact CD2-CB 4.04Å; Y753-L757 HydrophobicContact CD2-CD1 3.66Å; Y753-L757 HydrophobicContact CD2-CG 4.49Å; Y753-L757 HydrophobicContact CE1-CB 3.67Å; Y753-L757 HydrophobicContact CE2-CB 3.9Å; Y753-L757 HydrophobicContact CE2-CD1 3.68Å; Y753-L757 HydrophobicContact CE2-CG 4.45Å; Y753-L757 HydrophobicContact CG-CB 4Å; Y753-L757 HydrophobicContact CG-CD1 4.28Å; Y753-L757 PolarHBondContact O-N 3.01Å; L757-Y760 WeakPolarHBondContact O-CA 3.46Å; L757-Y760 VanDerWaalsContact O-CB 3.31Å; L757-Y760 WeakPolarHBondContact O-CB 3.46Å; L757-Y760 PolarHBondContact O-N 3.15Å; L757-E761 PolarHBondContact O-N 2.66Å |
| 758 | Y | 97.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -41.3 | -175.7 | -177.3 | -114.1 | 0 | 0 | 0 | 114.7 | L720 Y753 Y760 E761 C762 S768 S769 P770 L773 | L720-Y758 HydrophobicContact CB-CD2 3.83Å; L720-Y758 HydrophobicContact CB-CE2 4.22Å; L720-Y758 HydrophobicContact CD2-CD2 3.39Å; L720-Y758 HydrophobicContact CD2-CE2 4.03Å; L720-Y758 HydrophobicContact CD2-CG 3.73Å; L720-Y758 HydrophobicContact CG-CD2 4.22Å; Y753-Y758 PolarHBondContact O-N 3.28Å; Y758-Y760 VanDerWaalsContact C-N 3.31Å; Y758-Y760 PolarHBondContact O-N 2.84Å; Y758-E761 VanDerWaalsContact CD2-OE2 3.29Å; Y758-E761 WeakPolarHBondContact CD2-OE2 3.01Å; Y758-E761 WeakPolarHBondContact O-CB 3.39Å; Y758-E761 PolarHBondContact O-N 2.89Å; Y758-C762 PolarHBondContact O-N 3.01Å; Y758-C762 PolarHBondContact O-SG 3.16Å; Y758-S768 WeakPolarHBondContact CE2-OG 3.46Å; Y758-S768 PolarHBondContact OH-O 3.45Å; Y758-S769 PolarHBondContact OH-O 3.4Å; Y758-S769 VanDerWaalsContact OH-O 3.05Å; Y758-P770 HydrophobicContact CE1-CG 4.39Å; Y758-L773 HydrophobicContact CD1-CD2 3.72Å; Y758-L773 HydrophobicContact CD2-CD2 4.27Å; Y758-L773 HydrophobicContact CE1-CD2 3.38Å; Y758-L773 HydrophobicContact CE2-CD2 4Å; Y758-L773 HydrophobicContact CG-CD2 4.16Å |
| 759 | P | 95.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 16% | 0.156 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | 175.8 | -18.6 | 32.8 | 0 | 0 | 0 | 112.2 | Y686 R690 C762 E763 | Y686-P759 HydrophobicContact CE1-CB 4.26Å; Y686-P759 PolarHBondContact OH-O 3.09Å; R690-P759 VanDerWaalsContact CZ-CB 3.4Å; R690-P759 VanDerWaalsContact NH2-CB 3.27Å; P759-C762 WeakPolarHBondContact O-CB 3.48Å; P759-C762 PolarHBondContact O-N 3.25Å; P759-E763 WeakPolarHBondContact O-CB 3.49Å; P759-E763 PolarHBondContact O-N 3.02Å |
| 760 | Y | 97 | Very high | 95.5 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -45 | 177.2 | -175.8 | -90.2 | 0 | 0 | 0 | 110.9 | F679 E682 L683 Y686 F711 L757 Y758 C762 E763 T764 | F679-Y760 HydrophobicContact CD2-CE1 4.15Å; F679-Y760 HydrophobicContact CE2-CD1 4.15Å; F679-Y760 AromaticContact CE2-CE1 3.57Å; F679-Y760 HydrophobicContact CE2-CE1 3.57Å; E682-Y760 HydrophobicContact CG-CE2 4.14Å; E682-Y760 PolarHBondContact OE2-OH 3.12Å; L683-Y760 HydrophobicContact CD1-CD2 3.84Å; L683-Y760 HydrophobicContact CD1-CE2 4.5Å; L683-Y760 HydrophobicContact CD1-CG 3.86Å; Y686-Y760 AromaticContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CG 4.4Å; Y686-Y760 AromaticContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CE2 4.41Å; Y686-Y760 HydrophobicContact CE1-CD2 4.1Å; Y686-Y760 HydrophobicContact CE1-CG 4.44Å; Y686-Y760 HydrophobicContact CE2-CD2 4.18Å; Y686-Y760 AromaticContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CE2 4.28Å; Y686-Y760 PolarHBondContact OH-N 3.12Å; F711-Y760 HydrophobicContact CD2-CD1 4.41Å; F711-Y760 HydrophobicContact CE1-CD1 4.49Å; F711-Y760 HydrophobicContact CE1-CE1 4.19Å; F711-Y760 AromaticContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CE1 4.18Å; F711-Y760 AromaticContact CZ-CD1 3.7Å; F711-Y760 HydrophobicContact CZ-CD1 3.7Å; F711-Y760 AromaticContact CZ-CE1 3.76Å; F711-Y760 HydrophobicContact CZ-CE1 3.76Å; L757-Y760 WeakPolarHBondContact O-CA 3.46Å; L757-Y760 VanDerWaalsContact O-CB 3.31Å; L757-Y760 WeakPolarHBondContact O-CB 3.46Å; L757-Y760 PolarHBondContact O-N 3.15Å; Y758-Y760 VanDerWaalsContact C-N 3.31Å; Y758-Y760 PolarHBondContact O-N 2.84Å; Y760-C762 VanDerWaalsContact C-N 3.31Å; Y760-C762 PolarHBondContact O-N 2.95Å; Y760-E763 PolarHBondContact O-N 3.28Å; Y760-T764 HydrophobicContact CD1-CG2 4.21Å; Y760-T764 HydrophobicContact CD2-CG2 4.12Å; Y760-T764 HydrophobicContact CE1-CG2 3.94Å; Y760-T764 HydrophobicContact CE2-CG2 3.87Å; Y760-T764 HydrophobicContact CG-CG2 4.3Å; Y760-T764 WeakPolarHBondContact O-CB 3.39Å; Y760-T764 PolarHBondContact O-N 3.33Å; Y760-T764 PolarHBondContact O-OG1 3.31Å |
| 761 | E | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -52.9 | -47 | 169.7 | -177.1 | -165.3 | 170.7 | 0 | 0 | 111.3 | F711 G719 L720 Y753 L757 Y758 E763 L765 G766 L767 | F711-E761 HydrophobicContact CE2-CB 4.18Å; G719-E761 WeakPolarHBondContact CA-OE1 3.27Å; L720-E761 WeakPolarHBondContact CB-OE2 3.42Å; L720-E761 PolarHBondContact N-OE1 3.38Å; L720-E761 PolarHBondContact N-OE2 3.24Å; Y753-E761 WeakPolarHBondContact CE1-OE2 3.28Å; L757-E761 PolarHBondContact O-N 2.66Å; Y758-E761 VanDerWaalsContact CD2-OE2 3.29Å; Y758-E761 WeakPolarHBondContact CD2-OE2 3.01Å; Y758-E761 WeakPolarHBondContact O-CB 3.39Å; Y758-E761 PolarHBondContact O-N 2.89Å; E761-E763 PolarHBondContact O-N 2.9Å; E761-L765 CarbonylContact O-C 3.58Å; E761-L765 WeakPolarHBondContact O-CA 3.47Å; E761-L765 PolarHBondContact O-N 3.38Å; E761-G766 PolarHBondContact O-N 2.78Å; E761-L767 HydrophobicContact CG-CB 4.23Å; E761-L767 HydrophobicContact CG-CD1 4.06Å; E761-L767 HydrophobicContact CG-CG 4.3Å |
| 762 | C | 95.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 28% | 0.284 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 179.1 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | Y758 P759 Y760 S768 | Y758-C762 PolarHBondContact O-N 3.01Å; Y758-C762 PolarHBondContact O-SG 3.16Å; P759-C762 WeakPolarHBondContact O-CB 3.48Å; P759-C762 PolarHBondContact O-N 3.25Å; Y760-C762 VanDerWaalsContact C-N 3.31Å; Y760-C762 PolarHBondContact O-N 2.95Å; C762-S768 PolarHBondContact SG-O 3.05Å; C762-S768 VanDerWaalsContact SG-O 3.37Å |
| 763 | E | 93.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -92.2 | -24.2 | -173.5 | -162.2 | 171.4 | 137.9 | 0 | 0 | 113.1 | Y686 R689 R690 P759 Y760 E761 | Y686-E763 HydrophobicContact CE2-CB 3.88Å; Y686-E763 HydrophobicContact CE2-CG 4.05Å; Y686-E763 WeakPolarHBondContact CE2-OE1 3.41Å; Y686-E763 VanDerWaalsContact CE2-OE2 3.23Å; Y686-E763 WeakPolarHBondContact CE2-OE2 3.36Å; Y686-E763 PolarHBondContact OH-OE2 3.12Å; R689-E763 IonicContact CZ-OE1 3.91Å; R689-E763 IonicContact NH2-OE1 2.65Å; R689-E763 PolarHBondContact NH2-OE1 3.25Å; R690-E763 IonicContact NE-OE2 2.73Å; P759-E763 WeakPolarHBondContact O-CB 3.49Å; P759-E763 PolarHBondContact O-N 3.02Å; Y760-E763 PolarHBondContact O-N 3.28Å; E761-E763 PolarHBondContact O-N 2.9Å |
| 764 | T | 93.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -103.6 | -35.1 | -179.2 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | Y760 | Y760-T764 HydrophobicContact CD1-CG2 4.21Å; Y760-T764 HydrophobicContact CD2-CG2 4.12Å; Y760-T764 HydrophobicContact CE1-CG2 3.94Å; Y760-T764 HydrophobicContact CE2-CG2 3.87Å; Y760-T764 HydrophobicContact CG-CG2 4.3Å; Y760-T764 WeakPolarHBondContact O-CB 3.39Å; Y760-T764 PolarHBondContact O-N 3.33Å; Y760-T764 PolarHBondContact O-OG1 3.31Å |
| 765 | L | 95.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 45% | 0.45 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -21.1 | -174.8 | -59.1 | 177.5 | 0 | 0 | 0 | 113.7 | F711 V715 E761 L767 | F711-L765 HydrophobicContact CE1-CD1 4.27Å; F711-L765 HydrophobicContact CZ-CD1 3.71Å; F711-L765 HydrophobicContact CZ-CG 4.5Å; V715-L765 HydrophobicContact CB-CD1 4.3Å; V715-L765 HydrophobicContact CG1-CD1 3.61Å; V715-L765 HydrophobicContact CG2-CD1 3.63Å; E761-L765 CarbonylContact O-C 3.58Å; E761-L765 WeakPolarHBondContact O-CA 3.47Å; E761-L765 PolarHBondContact O-N 3.38Å; L765-L767 HydrophobicContact CB-CD1 4.33Å; L765-L767 HydrophobicContact CB-CD2 4.21Å; L765-L767 HydrophobicContact CB-CG 3.8Å; L765-L767 HydrophobicContact CD1-CD1 4.21Å; L765-L767 PolarHBondContact O-N 3.36Å; L765-L767 VanDerWaalsContact O-N 3.16Å |
| 766 | G | 93.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | | | trans | 66.3 | 14.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E761 S768 | E761-G766 PolarHBondContact O-N 2.78Å; G766-S768 PolarHBondContact O-N 3.41Å |
| 767 | L | 93.7 | Very high | 95.1 | Very high | 74 Ų | 74 | 50 Ų | 50 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | | | trans | -59.5 | -23.6 | -168.8 | -58.7 | -179.3 | 0 | 0 | 0 | 114.9 | V715 E761 L765 | V715-L767 HydrophobicContact CG1-CD1 4.3Å; V715-L767 HydrophobicContact CG2-CD1 4.23Å; E761-L767 HydrophobicContact CG-CB 4.23Å; E761-L767 HydrophobicContact CG-CD1 4.06Å; E761-L767 HydrophobicContact CG-CG 4.3Å; L765-L767 HydrophobicContact CB-CD1 4.33Å; L765-L767 HydrophobicContact CB-CD2 4.21Å; L765-L767 HydrophobicContact CB-CG 3.8Å; L765-L767 HydrophobicContact CD1-CD1 4.21Å; L765-L767 PolarHBondContact O-N 3.36Å; L765-L767 VanDerWaalsContact O-N 3.16Å |
| 768 | S | 92.6 | Very high | 95 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | | | trans | -163 | 158.1 | 174.8 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | V721 Y758 C762 G766 | V721-S768 VanDerWaalsContact CG2-CB 3.41Å; V721-S768 VanDerWaalsContact CG2-OG 3.3Å; V721-S768 WeakPolarHBondContact CG2-OG 3.21Å; Y758-S768 WeakPolarHBondContact CE2-OG 3.46Å; Y758-S768 PolarHBondContact OH-O 3.45Å; C762-S768 PolarHBondContact SG-O 3.05Å; C762-S768 VanDerWaalsContact SG-O 3.37Å; G766-S768 PolarHBondContact O-N 3.41Å |
| 769 | S | 93 | Very high | 94.7 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | | | trans | -98.7 | 156.8 | 175.6 | 73 | 0 | 0 | 0 | 0 | 113.1 | Y758 N771 E772 L773 | Y758-S769 PolarHBondContact OH-O 3.4Å; Y758-S769 VanDerWaalsContact OH-O 3.05Å; S769-N771 PolarHBondContact O-N 3.31Å; S769-E772 WeakPolarHBondContact CA-OE2 3.36Å; S769-E772 WeakPolarHBondContact CB-OE2 3.4Å; S769-E772 PolarHBondContact N-OE2 3.3Å; S769-E772 PolarHBondContact O-N 2.7Å; S769-E772 VanDerWaalsContact OG-CD 3.26Å; S769-E772 PolarHBondContact OG-N 3.3Å; S769-E772 PolarHBondContact OG-OE2 3.1Å; S769-L773 PolarHBondContact O-N 3.5Å |
| 770 | P | 94.3 | Very high | 94.2 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57 | -24.2 | 176.8 | -28.1 | 35.8 | 0 | 0 | 0 | 114.7 | Y758 Q774 | Y758-P770 HydrophobicContact CE1-CG 4.39Å; P770-Q774 PolarHBondContact O-N 2.96Å |
| 771 | N | 95.1 | Very high | 93.6 | Very high | 134 Ų | 134 | 63.3 Ų | 63.3 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.8 | -43.2 | 176.9 | -70.3 | -3.6 | 0 | 0 | 0 | 111.6 | S769 L773 Q774 A775 | S769-N771 PolarHBondContact O-N 3.31Å; N771-L773 VanDerWaalsContact C-N 3.33Å; N771-Q774 PolarHBondContact O-N 3.42Å; N771-A775 WeakPolarHBondContact O-CB 3.4Å; N771-A775 PolarHBondContact O-N 2.71Å |
| 772 | E | 95.9 | Very high | 92.1 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 175.2 | -69.8 | 149.5 | 151.7 | 0 | 0 | 110.8 | V721 S769 A775 A776 | V721-E772 HydrophobicContact CG1-CB 4.47Å; V721-E772 HydrophobicContact CG2-CB 4.49Å; S769-E772 WeakPolarHBondContact CA-OE2 3.36Å; S769-E772 WeakPolarHBondContact CB-OE2 3.4Å; S769-E772 PolarHBondContact N-OE2 3.3Å; S769-E772 PolarHBondContact O-N 2.7Å; S769-E772 VanDerWaalsContact OG-CD 3.26Å; S769-E772 PolarHBondContact OG-N 3.3Å; S769-E772 PolarHBondContact OG-OE2 3.1Å; E772-A775 PolarHBondContact O-N 3.08Å; E772-A776 WeakPolarHBondContact O-CB 3.4Å; E772-A776 PolarHBondContact O-N 3.11Å |
| 773 | L | 96.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 76.3 Ų | 76.3 | 5% | 0.047 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 170.8 | 179.9 | 60.4 | 0 | 0 | 0 | 112 | L720 V721 I724 M754 Y758 S769 N771 A775 A776 I777 | L720-L773 HydrophobicContact CD2-CD1 3.66Å; L720-L773 HydrophobicContact CD2-CD2 3.81Å; L720-L773 HydrophobicContact CD2-CG 4.41Å; L720-L773 HydrophobicContact CG-CD1 4.01Å; V721-L773 HydrophobicContact CG2-CB 3.82Å; V721-L773 HydrophobicContact CG2-CD1 4.08Å; I724-L773 HydrophobicContact CD1-CD1 3.48Å; I724-L773 VanDerWaalsContact CD1-CD1 3.48Å; M754-L773 HydrophobicContact CE-CD2 4.09Å; M754-L773 HydrophobicContact CG-CD2 4.26Å; Y758-L773 HydrophobicContact CD1-CD2 3.72Å; Y758-L773 HydrophobicContact CD2-CD2 4.27Å; Y758-L773 HydrophobicContact CE1-CD2 3.38Å; Y758-L773 HydrophobicContact CE2-CD2 4Å; Y758-L773 HydrophobicContact CG-CD2 4.16Å; S769-L773 PolarHBondContact O-N 3.5Å; N771-L773 VanDerWaalsContact C-N 3.33Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.31Å; L773-A776 PolarHBondContact O-N 3.49Å; L773-I777 HydrophobicContact CD1-CD1 3.78Å; L773-I777 HydrophobicContact CD1-CG1 4.12Å; L773-I777 HydrophobicContact CG-CD1 3.72Å; L773-I777 HydrophobicContact CG-CG1 4.47Å; L773-I777 WeakPolarHBondContact O-CB 3.48Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 WeakPolarHBondContact O-CG1 3.48Å; L773-I777 PolarHBondContact O-N 2.84Å |
| 774 | Q | 95.2 | Very high | 88.6 | Confident | 96 Ų | 96 | 75.4 Ų | 75.4 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 176.2 | -172.7 | 58.2 | 44.1 | 0 | 0 | 111.9 | P770 N771 I777 D778 | P770-Q774 PolarHBondContact O-N 2.96Å; N771-Q774 PolarHBondContact O-N 3.42Å; Q774-I777 PolarHBondContact O-N 3.43Å; Q774-D778 PolarHBondContact NE2-OD2 3.07Å; Q774-D778 PolarHBondContact O-N 3.25Å |
| 775 | A | 95.7 | Very high | 86.9 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N771 E772 L773 I777 D778 G779 | N771-A775 WeakPolarHBondContact O-CB 3.4Å; N771-A775 PolarHBondContact O-N 2.71Å; E772-A775 PolarHBondContact O-N 3.08Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.31Å; A775-I777 VanDerWaalsContact C-N 3.32Å; A775-I777 PolarHBondContact O-N 3.08Å; A775-D778 PolarHBondContact O-N 3.39Å; A775-G779 PolarHBondContact O-N 2.78Å |
| 776 | A | 95.4 | Very high | 84.9 | Confident | 7 Ų | 7 | 86 Ų | 86 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V721 I724 N725 E772 L773 N780 | V721-A776 HydrophobicContact CG1-CB 4.05Å; I724-A776 HydrophobicContact CB-CB 4.43Å; I724-A776 HydrophobicContact CG2-CB 3.87Å; N725-A776 WeakPolarHBondContact OD1-CB 3.3Å; E772-A776 WeakPolarHBondContact O-CB 3.4Å; E772-A776 PolarHBondContact O-N 3.11Å; L773-A776 PolarHBondContact O-N 3.49Å; A776-N780 PolarHBondContact O-N 3Å; A776-N780 VanDerWaalsContact O-N 3.08Å |
| 777 | I | 93.9 | Very high | 82.7 | Confident | 23 Ų | 23 | 88.3 Ų | 88.3 | 12% | 0.118 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 175.5 | -69.4 | 168.8 | 0 | 0 | 0 | 111.3 | I724 R750 M754 L773 Q774 A775 R781 | I724-I777 HydrophobicContact CD1-CG1 4.34Å; R750-I777 VanDerWaalsContact NH2-CD1 3.29Å; R750-I777 VanDerWaalsContact NH2-CG1 3.33Å; M754-I777 HydrophobicContact CE-CD1 3.96Å; M754-I777 HydrophobicContact SD-CD1 4.13Å; L773-I777 HydrophobicContact CD1-CD1 3.78Å; L773-I777 HydrophobicContact CD1-CG1 4.12Å; L773-I777 HydrophobicContact CG-CD1 3.72Å; L773-I777 HydrophobicContact CG-CG1 4.47Å; L773-I777 WeakPolarHBondContact O-CB 3.48Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 WeakPolarHBondContact O-CG1 3.48Å; L773-I777 PolarHBondContact O-N 2.84Å; Q774-I777 PolarHBondContact O-N 3.43Å; A775-I777 VanDerWaalsContact C-N 3.32Å; A775-I777 PolarHBondContact O-N 3.08Å; I777-R781 PolarHBondContact O-N 2.94Å; I777-R781 VanDerWaalsContact O-N 3.12Å |
| 778 | D | 93.7 | Very high | 80.7 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.4 | -24.3 | -179.8 | -78.1 | -37.2 | 0 | 0 | 0 | 113.2 | Q774 A775 R781 R782 | Q774-D778 PolarHBondContact NE2-OD2 3.07Å; Q774-D778 PolarHBondContact O-N 3.25Å; A775-D778 PolarHBondContact O-N 3.39Å; D778-R781 WeakPolarHBondContact O-CB 3.41Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-NH1 3.84Å; D778-R782 WeakPolarHBondContact O-CG 3.28Å; D778-R782 PolarHBondContact O-N 3.02Å |
| 779 | G | 91.4 | Very high | 78.6 | Confident | 40 Ų | 40 | 98.7 Ų | 98.7 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -57.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | A775 R781 R782 | A775-G779 PolarHBondContact O-N 2.78Å; G779-R781 PolarHBondContact O-N 2.92Å; G779-R781 VanDerWaalsContact O-N 3.09Å; G779-R782 WeakPolarHBondContact O-CB 3.36Å; G779-R782 PolarHBondContact O-N 3.22Å |
| 780 | N | 85.9 | Confident | 76.6 | Confident | 62 Ų | 62 | 101.2 Ų | 101.2 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -16.9 | 175.6 | -87.7 | -21.8 | 0 | 0 | 0 | 114 | I724 K727 A776 | I724-N780 VanDerWaalsContact CG2-ND2 3.26Å; I724-N780 WeakPolarHBondContact CG2-ND2 3.39Å; I724-N780 PolarHBondContact O-ND2 3.4Å; K727-N780 WeakPolarHBondContact CE-OD1 3.28Å; A776-N780 PolarHBondContact O-N 3Å; A776-N780 VanDerWaalsContact O-N 3.08Å |
| 781 | R | 83.9 | Confident | 74.3 | Confident | 175 Ų | 175 | 103.1 Ų | 103.1 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.8 | -20.7 | 172.6 | -165.8 | 176 | -175.4 | 171 | 2.7 | 113.6 | I777 D778 G779 | I777-R781 PolarHBondContact O-N 2.94Å; I777-R781 VanDerWaalsContact O-N 3.12Å; D778-R781 WeakPolarHBondContact O-CB 3.41Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-NH1 3.84Å; G779-R781 PolarHBondContact O-N 2.92Å; G779-R781 VanDerWaalsContact O-N 3.09Å |
| 782 | R | 66.3 | Low | 72.1 | Confident | 198 Ų | 198 | 103.3 Ų | 103.3 | 75% | 0.747 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -82.4 | -27.6 | -175 | -72.8 | 174.6 | -176.2 | -139.4 | 1.4 | 114.2 | D778 G779 A784 R785 | D778-R782 WeakPolarHBondContact O-CG 3.28Å; D778-R782 PolarHBondContact O-N 3.02Å; G779-R782 WeakPolarHBondContact O-CB 3.36Å; G779-R782 PolarHBondContact O-N 3.22Å; R782-A784 PolarHBondContact O-N 2.83Å; R782-A784 VanDerWaalsContact O-N 3.15Å; R782-R785 PolarHBondContact O-N 2.96Å; R782-R785 VanDerWaalsContact O-N 3.15Å |
| 783 | E | 59.6 | Low | 69.8 | Low | 117 Ų | 117 | 106.4 Ų | 106.4 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -55.7 | -36.1 | -176.4 | -164.5 | 59.4 | -110.3 | 0 | 0 | 113 | R785 R786 | E783-R785 PolarHBondContact O-N 3.04Å; E783-R786 PolarHBondContact O-N 3.34Å |
| 784 | A | 57.1 | Low | 67.5 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 69% | 0.694 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -65.5 | 10.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R782 | R782-A784 PolarHBondContact O-N 2.83Å; R782-A784 VanDerWaalsContact O-N 3.15Å |
| 785 | R | 56.5 | Low | 65.1 | Low | 151 Ų | 151 | 113.5 Ų | 113.5 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -128 | 11.2 | 179.7 | -66.2 | -162.9 | -174.6 | -173.1 | 5.4 | 116.5 | R782 E783 S787 | R782-R785 PolarHBondContact O-N 2.96Å; R782-R785 VanDerWaalsContact O-N 3.15Å; E783-R785 PolarHBondContact O-N 3.04Å; R785-S787 PolarHBondContact O-N 3.35Å |
| 786 | R | 54.6 | Low | 62.9 | Low | 220 Ų | 220 | 118.3 Ų | 118.3 | 83% | 0.83 | 58% | 0.579 | S | S | * | * | | | trans | -72.6 | 37.6 | 154.8 | -85.6 | -172.8 | 165.9 | -134.5 | -2.7 | 112.9 | E783 S788 | E783-R786 PolarHBondContact O-N 3.34Å; R786-S788 PolarHBondContact O-N 2.98Å |
| 787 | S | 47.6 | Very low | 60.7 | Low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | | | trans | -89.4 | 39.6 | 156 | 33.9 | 0 | 0 | 0 | 0 | 110 | R785 Y789 | R785-S787 PolarHBondContact O-N 3.35Å; S787-Y789 VanDerWaalsContact C-N 3.26Å; S787-Y789 PolarHBondContact O-N 3.09Å |
| 788 | S | 50.4 | Low | 58.7 | Low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | | | trans | -92.6 | 44.2 | 173.1 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | R786 T790 | R786-S788 PolarHBondContact O-N 2.98Å; S788-T790 PolarHBondContact O-N 3.28Å |
| 789 | Y | 50.1 | Low | 56.4 | Low | 224 Ų | 224 | 130 Ų | 130 | 88% | 0.878 | 65% | 0.652 | S | S | * | * | | | trans | -70.8 | 54.5 | 143.1 | -86.5 | -81 | 0 | 0 | 0 | 109.1 | S787 | S787-Y789 VanDerWaalsContact C-N 3.26Å; S787-Y789 PolarHBondContact O-N 3.09Å |
| 790 | T | 49 | Very low | 54.3 | Low | 95 Ų | 95 | 135 Ų | 135 | 58% | 0.583 | 67% | 0.669 | S | S | * | * | | | trans | -82.6 | 89.2 | 135.4 | -58.4 | 0 | 0 | 0 | 0 | 102.7 | S788 D792 | S788-T790 PolarHBondContact O-N 3.28Å; T790-D792 VanDerWaalsContact C-N 3.32Å; T790-D792 PolarHBondContact O-N 3.38Å; T790-D792 VanDerWaalsContact O-N 3.09Å |
| 791 | F | 47 | Very low | 52.4 | Low | 126 Ų | 126 | 138.3 Ų | 138.3 | 55% | 0.553 | 69% | 0.692 | S | S | * | * | | | trans | -59.5 | 110.9 | 153.8 | -173.8 | -62.9 | 0 | 0 | 0 | 103.1 | Y793 | F791-Y793 HydrophobicContact CB-CD2 4.12Å; F791-Y793 HydrophobicContact CB-CE2 4.21Å; F791-Y793 AromaticContact CD1-CD1 3.86Å; F791-Y793 HydrophobicContact CD1-CD1 3.86Å; F791-Y793 AromaticContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CE1 4.02Å; F791-Y793 AromaticContact CD1-CE2 3.32Å; F791-Y793 HydrophobicContact CD1-CE2 3.32Å; F791-Y793 AromaticContact CD1-CG 3.41Å; F791-Y793 HydrophobicContact CD1-CG 3.41Å; F791-Y793 VanDerWaalsContact CD1-CG 3.41Å; F791-Y793 AromaticContact CD1-CZ 3.75Å; F791-Y793 HydrophobicContact CD2-CE2 4.11Å; F791-Y793 AromaticContact CE1-CD1 3.44Å; F791-Y793 HydrophobicContact CE1-CD1 3.44Å; F791-Y793 VanDerWaalsContact CE1-CD1 3.44Å; F791-Y793 AromaticContact CE1-CD2 3.62Å; F791-Y793 HydrophobicContact CE1-CD2 3.62Å; F791-Y793 AromaticContact CE1-CE1 3.4Å; F791-Y793 HydrophobicContact CE1-CE1 3.4Å; F791-Y793 VanDerWaalsContact CE1-CE1 3.4Å; F791-Y793 AromaticContact CE1-CE2 3.58Å; F791-Y793 HydrophobicContact CE1-CE2 3.58Å; F791-Y793 AromaticContact CE1-CG 3.53Å; F791-Y793 HydrophobicContact CE1-CG 3.53Å; F791-Y793 AromaticContact CE1-CZ 3.45Å; F791-Y793 VanDerWaalsContact CE1-CZ 3.45Å; F791-Y793 HydrophobicContact CE2-CE2 4.29Å; F791-Y793 AromaticContact CG-CD2 3.76Å; F791-Y793 HydrophobicContact CG-CD2 3.76Å; F791-Y793 AromaticContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CG 4.44Å; F791-Y793 HydrophobicContact CZ-CD1 4.29Å; F791-Y793 AromaticContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE2 4.06Å; F791-Y793 AromaticContact CZ-CZ 3.64Å; F791-Y793 PolarHBondContact O-N 2.9Å |
| 792 | D | 48 | Very low | 50.6 | Low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | trans | -71.1 | 72.4 | 174.6 | -83.6 | -55.3 | 0 | 0 | 0 | 107.9 | T790 P794 | T790-D792 VanDerWaalsContact C-N 3.32Å; T790-D792 PolarHBondContact O-N 3.38Å; T790-D792 VanDerWaalsContact O-N 3.09Å; D792-P794 WeakPolarHBondContact O-CD 3.45Å; D792-P794 VanDerWaalsContact O-N 3.08Å |
| 793 | Y | 48.6 | Very low | 49.4 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | | | trans | -64.1 | 109.5 | 165.1 | -90.3 | -69.3 | 0 | 0 | 0 | 103.2 | F791 M795 | F791-Y793 HydrophobicContact CB-CD2 4.12Å; F791-Y793 HydrophobicContact CB-CE2 4.21Å; F791-Y793 AromaticContact CD1-CD1 3.86Å; F791-Y793 HydrophobicContact CD1-CD1 3.86Å; F791-Y793 AromaticContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CE1 4.02Å; F791-Y793 AromaticContact CD1-CE2 3.32Å; F791-Y793 HydrophobicContact CD1-CE2 3.32Å; F791-Y793 AromaticContact CD1-CG 3.41Å; F791-Y793 HydrophobicContact CD1-CG 3.41Å; F791-Y793 VanDerWaalsContact CD1-CG 3.41Å; F791-Y793 AromaticContact CD1-CZ 3.75Å; F791-Y793 HydrophobicContact CD2-CE2 4.11Å; F791-Y793 AromaticContact CE1-CD1 3.44Å; F791-Y793 HydrophobicContact CE1-CD1 3.44Å; F791-Y793 VanDerWaalsContact CE1-CD1 3.44Å; F791-Y793 AromaticContact CE1-CD2 3.62Å; F791-Y793 HydrophobicContact CE1-CD2 3.62Å; F791-Y793 AromaticContact CE1-CE1 3.4Å; F791-Y793 HydrophobicContact CE1-CE1 3.4Å; F791-Y793 VanDerWaalsContact CE1-CE1 3.4Å; F791-Y793 AromaticContact CE1-CE2 3.58Å; F791-Y793 HydrophobicContact CE1-CE2 3.58Å; F791-Y793 AromaticContact CE1-CG 3.53Å; F791-Y793 HydrophobicContact CE1-CG 3.53Å; F791-Y793 AromaticContact CE1-CZ 3.45Å; F791-Y793 VanDerWaalsContact CE1-CZ 3.45Å; F791-Y793 HydrophobicContact CE2-CE2 4.29Å; F791-Y793 AromaticContact CG-CD2 3.76Å; F791-Y793 HydrophobicContact CG-CD2 3.76Å; F791-Y793 AromaticContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CG 4.44Å; F791-Y793 HydrophobicContact CZ-CD1 4.29Å; F791-Y793 AromaticContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE2 4.06Å; F791-Y793 AromaticContact CZ-CZ 3.64Å; F791-Y793 PolarHBondContact O-N 2.9Å; Y793-M795 PolarHBondContact O-N 3.46Å |
| 794 | P | 48.1 | Very low | 48.6 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | | | trans | -55.5 | 121.4 | 173.5 | 24.6 | -32.2 | 0 | 0 | 0 | 105.3 | D792 M796 | D792-P794 WeakPolarHBondContact O-CD 3.45Å; D792-P794 VanDerWaalsContact O-N 3.08Å; P794-M796 HydrophobicContact CG-CE 4.13Å; P794-M796 PolarHBondContact O-N 3.42Å |
| 795 | M | 44.8 | Very low | 48.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | | | trans | -51.9 | 113.4 | -175.6 | -94.2 | -165 | 69.3 | 0 | 0 | 107.5 | Y793 N797 | Y793-M795 PolarHBondContact O-N 3.46Å; M795-N797 PolarHBondContact O-N 2.95Å |
| 796 | M | 48 | Very low | 47.5 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | -71.1 | 70.6 | 167.1 | -72.9 | -62.9 | 150.9 | 0 | 0 | 106.8 | P794 P798 | P794-M796 HydrophobicContact CG-CE 4.13Å; P794-M796 PolarHBondContact O-N 3.42Å; M796-P798 VanDerWaalsContact O-CD 3.31Å; M796-P798 WeakPolarHBondContact O-CD 3.4Å |
| 797 | N | 50.2 | Low | 46.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | | | trans | -60.5 | 106.7 | 177.1 | 177.7 | 91.3 | 0 | 0 | 0 | 104.9 | M795 | M795-N797 PolarHBondContact O-N 2.95Š|
| 798 | P | 52.2 | Low | 46.9 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | | | trans | -54.9 | 132.5 | -165.2 | 20.8 | -33.1 | 0 | 0 | 0 | 108.4 | M796 N800 | M796-P798 VanDerWaalsContact O-CD 3.31Å; M796-P798 WeakPolarHBondContact O-CD 3.4Å; P798-N800 PolarHBondContact O-N 2.99Å |
| 799 | P | 45.8 | Very low | 46.5 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | trans | -71.4 | 74.3 | -167.5 | 27.9 | -35.6 | 0 | 0 | 0 | 110.8 | T801 | P799-T801 PolarHBondContact O-N 2.83Š|
| 800 | N | 46 | Very low | 46.2 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | -76.3 | 102 | -173.1 | -160.7 | -7.9 | 0 | 0 | 0 | 108.1 | P798 S802 | P798-N800 PolarHBondContact O-N 2.99Å; N800-S802 VanDerWaalsContact C-N 3.33Å; N800-S802 PolarHBondContact O-N 2.76Å |
| 801 | T | 46 | Very low | 46.3 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | | | trans | -69.5 | 79.5 | -162.3 | 39 | 0 | 0 | 0 | 0 | 112.7 | P799 | P799-T801 PolarHBondContact O-N 2.83Š|
| 802 | S | 46.9 | Very low | 46.1 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | -138.7 | 98.6 | 174.1 | -80.8 | 0 | 0 | 0 | 0 | 112.4 | N800 S804 | N800-S802 VanDerWaalsContact C-N 3.33Å; N800-S802 PolarHBondContact O-N 2.76Å; S802-S804 PolarHBondContact O-N 3.01Å |
| 803 | R | 41.6 | Very low | 46 | Very low | 252 Ų | 252 | 125.4 Ų | 125.4 | 95% | 0.951 | 73% | 0.729 | S | S | * | * | | | trans | -41.7 | 128.2 | 172.3 | -57.6 | 164.4 | 179 | 163 | -2.8 | 112.9 | | |
| 804 | S | 41.8 | Very low | 45.3 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | | | trans | -146.9 | 115.1 | 131.5 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | S802 | S802-S804 PolarHBondContact O-N 3.01Š|
| 805 | T | 47.9 | Very low | 45.4 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.3 | 177.5 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 806 | S | 43.2 | Very low | 44.7 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 148.1 | 166.9 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 807 | P | 42.3 | Very low | 44.4 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.2 | 164.8 | 31 | -30.5 | 0 | 0 | 0 | 109.2 | | |
| 808 | V | 46.4 | Very low | 43.5 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 160 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 111.1 | T810 | V808-T810 PolarHBondContact O-N 2.71Š|
| 809 | S | 43 | Very low | 42.9 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 128.5 | 173.1 | -46.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 810 | T | 43 | Very low | 42.5 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 128.9 | 179.8 | 42.5 | 0 | 0 | 0 | 0 | 112.6 | V808 | V808-T810 PolarHBondContact O-N 2.71Š|
| 811 | T | 50.6 | Low | 42.2 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | | | trans | -111.7 | 172.1 | 179.3 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | T820 | T811-T820 WeakPolarHBondContact O-CG2 3.34Š|
| 812 | S | 44.4 | Very low | 41.6 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 69% | 0.685 | S | S | * | * | | | trans | -66.8 | 119.7 | -151.2 | -70.3 | 0 | 0 | 0 | 0 | 122.9 | T819 T820 | S812-T819 WeakPolarHBondContact CB-OG1 3.28Å; S812-T819 PolarHBondContact OG-OG1 2.91Å; S812-T820 WeakPolarHBondContact CA-OG1 3.35Å |
| 813 | A | 44.6 | Very low | 41 | Very low | 60 Ų | 60 | 116 Ų | 116 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | | | trans | -148.9 | 153.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T819 T820 | A813-T819 CarbonylContact O-C 3.43Å; A813-T819 WeakPolarHBondContact O-CA 3.47Å; A813-T820 PolarHBondContact O-N 2.87Å |
| 814 | N | 33.9 | Very low | 40.6 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | | | cis | -153.5 | 172.4 | 3.9 | -155.7 | 35.6 | 0 | 0 | 0 | 108.5 | T818 | N814-T818 WeakPolarHBondContact O-CA 3.24Å; N814-T818 PolarHBondContact O-N 3.47Å |
| 815 | P | 49.9 | Very low | 40.1 | Very low | 84 Ų | 84 | 108.2 Ų | 108.2 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -61.5 | 152 | 178.2 | -21.2 | 32.2 | 0 | 0 | 0 | 115.5 | T818 | P815-T818 WeakPolarHBondContact CA-OG1 3.39Å; P815-T818 HydrophobicContact CG-CG2 3.72Å |
| 816 | Q | 31.2 | Very low | 39.4 | Very low | 199 Ų | 199 | 108.3 Ų | 108.3 | 93% | 0.93 | 67% | 0.665 | S | S | * | * | S | Bend | cis | -112 | 138 | -1.4 | -64.8 | 176.3 | -16.1 | 0 | 0 | 111.2 | | |
| 817 | T | 40.4 | Very low | 39 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | S | Bend | cis | -84.7 | 108.2 | -31.2 | 46.3 | 0 | 0 | 0 | 0 | 108.4 | T819 | T817-T819 PolarHBondContact O-N 3.46Š|
| 818 | T | 32.5 | Very low | 38.6 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | | | | 15.3 | 89.6 | 127 | -9 | 0 | 0 | 0 | 0 | 110.7 | N814 P815 | N814-T818 WeakPolarHBondContact O-CA 3.24Å; N814-T818 PolarHBondContact O-N 3.47Å; P815-T818 WeakPolarHBondContact CA-OG1 3.39Å; P815-T818 HydrophobicContact CG-CG2 3.72Å |
| 819 | T | 38.9 | Very low | 38.1 | Very low | 47 Ų | 47 | 109.6 Ų | 109.6 | 29% | 0.288 | 67% | 0.666 | S | S | . | * | S | Bend | cis | -175.5 | 141.5 | 30.9 | 35.9 | 0 | 0 | 0 | 0 | 109.9 | S812 A813 T817 | S812-T819 WeakPolarHBondContact CB-OG1 3.28Å; S812-T819 PolarHBondContact OG-OG1 2.91Å; A813-T819 CarbonylContact O-C 3.43Å; A813-T819 WeakPolarHBondContact O-CA 3.47Å; T817-T819 PolarHBondContact O-N 3.46Å |
| 820 | T | 38.9 | Very low | 37.8 | Very low | 55 Ų | 55 | 109.9 Ų | 109.9 | 34% | 0.337 | 67% | 0.668 | S | S | . | * | | | trans | 50.2 | 99.5 | -174.1 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | T811 S812 A813 | T811-T820 WeakPolarHBondContact O-CG2 3.34Å; S812-T820 WeakPolarHBondContact CA-OG1 3.35Å; A813-T820 PolarHBondContact O-N 2.87Å |
| 821 | T | 39 | Very low | 37.4 | Very low | 100 Ų | 100 | 111 Ų | 111 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | | | cis | 40.3 | 99.8 | 42.6 | 35.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 822 | N | 33.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 110.5 Ų | 110.5 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | | | cis | 60.7 | 71.8 | 25.1 | -129.3 | 11.7 | 0 | 0 | 0 | 111.8 | | |
| 823 | T | 34 | Very low | 36.7 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | | | trans | -133.9 | 111.1 | 159.3 | 42.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 824 | S | 32.4 | Very low | 36.3 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | | | | 81 | 111 | 72.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 825 | T | 31.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | | | | 74.7 | 81.4 | 88.1 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | M827 | T825-M827 HydrophobicContact CG2-CE 4.36Š|
| 826 | T | 32.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 116.5 Ų | 116.5 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | | | trans | -116 | 108.1 | 136.3 | 30.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 827 | M | 35.2 | Very low | 36 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | | | | 65.5 | 122.7 | 79.6 | -57.8 | -90 | -179 | 0 | 0 | 109.3 | T825 | T825-M827 HydrophobicContact CG2-CE 4.36Š|
| 828 | T | 33.5 | Very low | 35.9 | Very low | 130 Ų | 130 | 109.4 Ų | 109.4 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | | | cis | -145 | 156.8 | 38 | 45.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 829 | A | 36.5 | Very low | 36.3 | Very low | 85 Ų | 85 | 109 Ų | 109 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | | | trans | 9.6 | 137.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 830 | S | 36.1 | Very low | 36.2 | Very low | 98 Ų | 98 | 114.7 Ų | 114.7 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | | | cis | -163.3 | 153.9 | 49.5 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 831 | N | 34.4 | Very low | 35.9 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | trans | 33.5 | 134.5 | 142.1 | -42.8 | -14.7 | 0 | 0 | 0 | 118.8 | | |
| 832 | T | 41.1 | Very low | 35.8 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | cis | -168.2 | 118.9 | 42.3 | -38.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 833 | I | 39.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | | | trans | 45.8 | 143.4 | 133.6 | -51 | 173.8 | 0 | 0 | 0 | 120.5 | | |
| 834 | P | 37.4 | Very low | 35.6 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | | | cis | -123.6 | -174.3 | -29.1 | 34.7 | -12.8 | 0 | 0 | 0 | 111.9 | | |
| 835 | N | 33.7 | Very low | 35.4 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | | 58.3 | 156.5 | 50 | -31.1 | -41.7 | 0 | 0 | 0 | 114.6 | | |
| 836 | S | 37.2 | Very low | 35.3 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 55% | 0.552 | 72% | 0.718 | S | S | * | * | | | cis | -164.6 | 153.8 | 10.6 | 45.1 | 0 | 0 | 0 | 0 | 112 | Y852 | S836-Y852 WeakPolarHBondContact O-CE2 3.13Å; S836-Y852 PolarHBondContact O-OH 3.22Å |
| 837 | P | 36.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | | | trans | -89.1 | -175 | -169.2 | 38.3 | -40.4 | 0 | 0 | 0 | 117.4 | Y852 | P837-Y852 HydrophobicContact CB-CE1 4.48Š|
| 838 | S | 38.1 | Very low | 35.1 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | | | trans | 107.4 | 158.6 | 153.5 | -60.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 839 | P | 42.1 | Very low | 35 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | | | trans | -108.2 | 162.7 | -162.1 | 40.7 | -34.4 | 0 | 0 | 0 | 115.5 | N854 | P839-N854 HydrophobicContact CB-CB 4.33Å; P839-N854 HydrophobicContact CG-CB 4.32Å |
| 840 | L | 36.8 | Very low | 34.8 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | | | trans | -179 | 143.9 | 149.6 | -103.9 | 166.2 | 0 | 0 | 0 | 112.8 | | |
| 841 | N | 33.3 | Very low | 34.6 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | trans | 32.4 | 159.4 | 141.3 | -150.7 | 10.7 | 0 | 0 | 0 | 124 | | |
| 842 | V | 35.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | | | trans | 69.1 | 127.5 | 166.2 | -58.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 843 | N | 31.1 | Very low | 34.7 | Very low | 153 Ų | 153 | 120 Ų | 120 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | trans | -49 | 155.1 | 151.2 | -101.7 | -47.9 | 0 | 0 | 0 | 111.6 | | |
| 844 | P | 32.4 | Very low | 34.4 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | | | cis | -149.2 | -170.1 | 47.1 | 44.5 | -24.9 | 0 | 0 | 0 | 116.8 | | |
| 845 | S | 29.4 | Very low | 34.3 | Very low | 89 Ų | 89 | 119.6 Ų | 119.6 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | | | trans | -4.4 | 140.1 | 152.8 | 63.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 846 | L | 29.5 | Very low | 34.3 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | | | trans | 78.6 | 129.1 | 155.2 | -61.8 | 157.7 | 0 | 0 | 0 | 118.1 | | |
| 847 | S | 32.5 | Very low | 34.1 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | | | trans | 70.1 | 98.5 | 148.7 | -55.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 848 | N | 29.5 | Very low | 33.9 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | | | trans | 58.9 | 138.2 | 141.2 | -57.6 | -10.3 | 0 | 0 | 0 | 121.4 | | |
| 849 | S | 32.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | 82 | 132 | 156 | -85.6 | 0 | 0 | 0 | 0 | 122 | | |
| 850 | I | 32.8 | Very low | 33.6 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 80.6 | 101 | 139.4 | -62.5 | 165 | 0 | 0 | 0 | 120.3 | | |
| 851 | V | 32.2 | Very low | 33.4 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | | | trans | 52.4 | 124 | 138.1 | -163.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 852 | Y | 33.2 | Very low | 33.8 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 53% | 0.533 | 75% | 0.753 | S | S | . | * | | | | 160.8 | 158.4 | 124.5 | -86.4 | -60.8 | 0 | 0 | 0 | 113.5 | S836 P837 | S836-Y852 WeakPolarHBondContact O-CE2 3.13Å; S836-Y852 PolarHBondContact O-OH 3.22Å; P837-Y852 HydrophobicContact CB-CE1 4.48Å |
| 853 | P | 42.8 | Very low | 33.5 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 58% | 0.584 | 76% | 0.756 | S | S | * | * | | | trans | -120.1 | 153.8 | -177.1 | 40.8 | -30.1 | 0 | 0 | 0 | 116.3 | | |
| 854 | N | 33 | Very low | 34 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -177.5 | -178.2 | 135.1 | -105.3 | -41.6 | 0 | 0 | 0 | 113.8 | P839 | P839-N854 HydrophobicContact CB-CB 4.33Å; P839-N854 HydrophobicContact CG-CB 4.32Å |
| 855 | S | 35.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -106.3 | -177.6 | -160.6 | -166.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 856 | L | 34 | Very low | 34.8 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | trans | 90.7 | 130.4 | 168.4 | -52.7 | 174.1 | 0 | 0 | 0 | 118.7 | | |
| 857 | G | 33 | Very low | 34.9 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | 142.9 | 102.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 858 | F | 33.4 | Very low | 35.3 | Very low | 211 Ų | 211 | 131.3 Ų | 131.3 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | | | trans | -87.7 | -176.2 | 161 | -60.4 | -92.6 | 0 | 0 | 0 | 109.9 | | |
| 859 | P | 41.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | | | cis | -139.8 | -176.4 | -0.9 | 43.3 | -25.1 | 0 | 0 | 0 | 116.9 | | |
| 860 | N | 31.7 | Very low | 35.8 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | | | trans | 57.6 | 141.3 | 146.5 | -73.5 | -9.7 | 0 | 0 | 0 | 123.3 | | |
| 861 | G | 33 | Very low | 36 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | | | trans | 161.1 | 74.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 862 | T | 40 | Very low | 36.2 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | | | trans | 46 | 122 | 147.5 | 53.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 863 | N | 30.9 | Very low | 36.6 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 170.9 | 150.5 | -122.2 | -27.4 | 0 | 0 | 0 | 110.4 | | |
| 864 | P | 40.4 | Very low | 36.2 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | cis | -150.4 | -174.7 | 43.8 | 43.4 | -21.9 | 0 | 0 | 0 | 118.8 | | |
| 865 | D | 37.1 | Very low | 36.5 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 91.6 | 133.7 | 139 | -83.2 | -41.7 | 0 | 0 | 0 | 125.4 | | |
| 866 | V | 41.5 | Very low | 36.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | 57.1 | 111.4 | 150.6 | -57 | 0 | 0 | 0 | 0 | 125 | | |
| 867 | N | 33 | Very low | 36.8 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | | 42.1 | 115.3 | 123.4 | -56 | -42.5 | 0 | 0 | 0 | 121.6 | | |
| 868 | Q | 39.7 | Very low | 37.4 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | -179.5 | 154.6 | 105.9 | -104.1 | 178.8 | 102.1 | 0 | 0 | 116.1 | | |
| 869 | L | 36.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | 67.2 | 92.4 | 152.1 | -66.9 | 165.4 | 0 | 0 | 0 | 121.8 | | |
| 870 | L | 35.4 | Very low | 37.2 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | | 76.8 | 112.8 | 109 | -160.5 | 66.2 | 0 | 0 | 0 | 121.8 | | |
| 871 | S | 37.8 | Very low | 37 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | | | trans | 87.1 | 120.4 | 139.3 | 71 | 0 | 0 | 0 | 0 | 123.2 | | |
| 872 | N | 35.7 | Very low | 37 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | trans | 90.7 | 99.6 | 130.2 | -67.3 | 2.3 | 0 | 0 | 0 | 122.9 | | |
| 873 | I | 42.6 | Very low | 36.6 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | | 83.1 | 139.9 | 126.6 | -70.9 | 170.9 | 0 | 0 | 0 | 117.1 | | |
| 874 | P | 33.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -115.1 | 157.5 | -136.1 | 39.9 | -31.6 | 0 | 0 | 0 | 115.8 | | |
| 875 | T | 39.7 | Very low | 36.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | | | trans | -129.4 | 127.9 | 162.7 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 876 | G | 35.8 | Very low | 36 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | | | trans | -103.4 | 134.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 877 | S | 39.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | -142.3 | 117 | 179 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 878 | T | 46.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | 42.6 | 147.2 | 132.3 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 879 | P | 39.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | S | Bend | | -111.7 | 140.3 | 108.9 | -11.1 | 28.8 | 0 | 0 | 0 | 114 | | |
| 880 | F | 31.2 | Very low | 34.7 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | 41.2 | 104.4 | 145.5 | -50.7 | -54.5 | 0 | 0 | 0 | 119.4 | | |
| 881 | C | 27.4 | Very low | 34.5 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 64% | 0.635 | 74% | 0.735 | S | S | * | * | | | | 81.1 | 154 | 66 | 85.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 882 | T | 32.3 | Very low | 34.1 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | | | cis | -157.9 | 159.5 | 26.6 | -15.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 883 | N | 33 | Very low | 33.8 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | 70.3 | 155.2 | 150.5 | -66.1 | -24.9 | 0 | 0 | 0 | 120.4 | | |
| 884 | N | 30.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | cis | -167.3 | 161.5 | -32.6 | -168.5 | 13.2 | 0 | 0 | 0 | 108.8 | | |
| 885 | L | 36.2 | Very low | 33.2 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | 65.4 | 151.1 | 178.3 | -53 | 112.9 | 0 | 0 | 0 | 114.6 | | |
| 886 | G | 29 | Very low | 33 | Very low | 56 Ų | 56 | 131.3 Ų | 131.3 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | | | cis | 163.4 | 149.6 | -9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 887 | F | 34 | Very low | 32.8 | Very low | 193 Ų | 193 | 131 Ų | 131 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | 65.8 | 113.8 | 178.7 | -48.9 | -82 | 0 | 0 | 0 | 114.5 | | |
| 888 | N | 27.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | | | cis | 68.2 | 95.5 | 46.3 | -166.7 | 2.1 | 0 | 0 | 0 | 113.7 | | |
| 889 | T | 34.5 | Very low | 31.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | | | | -156.2 | 152.6 | 124.3 | -73.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 890 | Q | 28 | Very low | 31.6 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | | | trans | -69.1 | 150.9 | -173.9 | -59.3 | 153.3 | 6.3 | 0 | 0 | 113.6 | | |
| 891 | F | 29.7 | Very low | 31.7 | Very low | 217 Ų | 217 | 123.5 Ų | 123.5 | 95% | 0.952 | 67% | 0.669 | S | S | * | * | | | trans | 144.6 | 125.6 | 154.9 | -85.1 | -64.9 | 0 | 0 | 0 | 106.6 | | |
| 892 | G | 29.7 | Very low | 32.1 | Very low | 57 Ų | 57 | 126.4 Ų | 126.4 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | | | cis | 135.4 | 73.7 | 18.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 893 | Q | 30.5 | Very low | 32.1 | Very low | 185 Ų | 185 | 124.9 Ų | 124.9 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | | | | 51.8 | 80.9 | 102.1 | -168.9 | -170.1 | 18.2 | 0 | 0 | 112.9 | | |
| 894 | F | 28.6 | Very low | 31.9 | Very low | 196 Ų | 196 | 123.6 Ų | 123.6 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | | | trans | -145.3 | 102.8 | 154.5 | -92.3 | -67 | 0 | 0 | 0 | 111.8 | | |
| 895 | N | 33.2 | Very low | 32 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 51% | 0.513 | 70% | 0.698 | S | S | . | * | | | trans | -80.1 | 123 | 148.7 | -68.7 | -26.3 | 0 | 0 | 0 | 106.6 | Y465 F897 | Y465-N895 PolarHBondContact OH-ND2 2.88Å; N895-F897 HydrophobicContact CB-CB 4.35Å; N895-F897 HydrophobicContact CB-CD2 4.25Å; N895-F897 PolarHBondContact O-N 3.21Å |
| 896 | P | 35.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | | | trans | -83.3 | 55 | 168.6 | 35.7 | -34.5 | 0 | 0 | 0 | 109.8 | | |
| 897 | F | 32.7 | Very low | 31.8 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 35% | 0.346 | 70% | 0.702 | S | S | . | * | | | trans | -126.1 | 130.8 | -176.1 | -80.7 | -75.1 | 0 | 0 | 0 | 111.1 | L463 Y465 N895 | L463-F897 HydrophobicContact CB-CE2 3.6Å; L463-F897 HydrophobicContact CB-CZ 3.69Å; L463-F897 HydrophobicContact CD1-CE2 3.95Å; L463-F897 HydrophobicContact CG-CE2 4.43Å; L463-F897 WeakPolarHBondContact O-CZ 3.35Å; Y465-F897 HydrophobicContact CD1-CB 4.46Å; Y465-F897 HydrophobicContact CD2-CB 3.4Å; Y465-F897 AromaticContact CD2-CD1 3.64Å; Y465-F897 HydrophobicContact CD2-CD1 3.64Å; Y465-F897 AromaticContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CE1 4.13Å; Y465-F897 AromaticContact CD2-CE2 3.91Å; Y465-F897 HydrophobicContact CD2-CE2 3.91Å; Y465-F897 AromaticContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CZ 4.25Å; Y465-F897 HydrophobicContact CE2-CB 3.89Å; Y465-F897 AromaticContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CE2 4.41Å; Y465-F897 AromaticContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CG-CB 3.73Å; Y465-F897 AromaticContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD2 4.39Å; Y465-F897 AromaticContact CG-CG 3.8Å; Y465-F897 HydrophobicContact CG-CG 3.8Å; N895-F897 HydrophobicContact CB-CB 4.35Å; N895-F897 HydrophobicContact CB-CD2 4.25Å; N895-F897 PolarHBondContact O-N 3.21Å |
| 898 | L | 33.6 | Very low | 31.9 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 37% | 0.372 | 70% | 0.704 | S | S | . | * | | | trans | 73.5 | 93.4 | 168.5 | -51.6 | 171.7 | 0 | 0 | 0 | 116.9 | Y465 L467 | Y465-L898 HydrophobicContact CD1-CD1 3.48Å; Y465-L898 VanDerWaalsContact CD1-CD1 3.48Å; Y465-L898 HydrophobicContact CD1-CG 4.26Å; Y465-L898 HydrophobicContact CE1-CD1 4.25Å; Y465-L898 HydrophobicContact CG-CD1 4.07Å; Y465-L898 HydrophobicContact CG-CG 4.39Å; L467-L898 HydrophobicContact CB-CD1 4.36Å; L467-L898 VanDerWaalsContact O-CD1 3.25Å; L467-L898 WeakPolarHBondContact O-CD1 3.49Å |
| 899 | T | 31.4 | Very low | 32.1 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | | | | 44 | 118.2 | 123.2 | -45.3 | 0 | 0 | 0 | 0 | 119.6 | L468 | L468-T899 HydrophobicContact CB-CG2 4.02Å; L468-T899 HydrophobicContact CD2-CG2 4.17Å |
| 900 | M | 35.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 123 Ų | 123 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | | | | -175.1 | 146.7 | 114.7 | -94 | -58.2 | -92.8 | 0 | 0 | 110.8 | L468 | L468-M900 HydrophobicContact CD2-CG 3.72Å; L468-M900 HydrophobicContact CD2-SD 4.14Å |
| 901 | P | 33.4 | Very low | 32.1 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 50% | 0.5 | 71% | 0.705 | S | S | . | * | | | trans | -96.5 | 138.9 | 174.9 | 35.8 | -31.1 | 0 | 0 | 0 | 112.7 | | |
| 902 | T | 34.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 116 Ų | 116 | 95% | 0.951 | 70% | 0.701 | S | S | * | * | | | trans | -175.3 | 157.7 | 140.9 | 13.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 903 | G | 31.7 | Very low | 32.7 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | | | trans | -123.2 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 904 | S | 29.8 | Very low | 33.2 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | | | trans | 83.8 | 142.9 | 164.6 | -31.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 905 | L | 32 | Very low | 33.6 | Very low | 165 Ų | 165 | 112.7 Ų | 112.7 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | | | trans | 78.2 | 158.4 | 163.5 | -49.8 | 177 | 0 | 0 | 0 | 115 | | |
| 906 | P | 32.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | | | | -136.8 | -160.8 | -95 | 33 | -8.4 | 0 | 0 | 0 | 114.2 | | |
| 907 | A | 30 | Very low | 33.9 | Very low | 78 Ų | 78 | 111 Ų | 111 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | | | trans | -66.5 | 168.6 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 908 | N | 34.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 113.6 Ų | 113.6 | 88% | 0.882 | 70% | 0.704 | S | S | * | * | | | trans | 78.7 | 145.7 | 173 | -47.3 | -27.5 | 0 | 0 | 0 | 115.5 | | |
| 909 | G | 31.8 | Very low | 34.3 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | | | cis | 130 | 123.3 | -6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 910 | L | 30.7 | Very low | 34.5 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 97% | 0.969 | 73% | 0.732 | S | S | * | * | | | trans | 67.8 | 161.4 | -175.5 | -40.2 | 175.9 | 0 | 0 | 0 | 113 | | |
| 911 | G | 32.6 | Very low | 34.5 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | cis | 166.1 | 159.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 912 | L | 34.4 | Very low | 34.5 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | | | cis | -163.3 | -178.6 | -5.1 | -110.3 | 175.1 | 0 | 0 | 0 | 112.4 | | |
| 913 | Q | 36.4 | Very low | 34.5 | Very low | 169 Ų | 169 | 114.6 Ų | 114.6 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | -50.6 | -169.1 | 167.2 | -104.6 | -171.3 | 13.8 | 0 | 0 | 118.4 | | |
| 914 | P | 42.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 116 Ų | 116 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | | | cis | -145.2 | -168.2 | -23 | 35.6 | -13.5 | 0 | 0 | 0 | 117.2 | | |
| 915 | S | 35.9 | Very low | 34.6 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 81.7 | 149.7 | 146.1 | -67.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 916 | S | 37.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 113.4 Ų | 113.4 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | cis | 179.7 | 175.3 | -8.6 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 917 | T | 38.1 | Very low | 34.3 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 53% | 0.528 | 73% | 0.729 | S | S | . | * | | | cis | -166.9 | 178.3 | 3.6 | -9.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 918 | I | 40.1 | Very low | 34.2 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | 76.8 | 150.3 | 146.8 | -82 | 160.9 | 0 | 0 | 0 | 119.8 | | |
| 919 | S | 35.6 | Very low | 34.1 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | cis | -170 | 160 | -34.7 | -86.2 | 0 | 0 | 0 | 0 | 114 | | |
| 920 | S | 34.8 | Very low | 34.2 | Very low | 105 Ų | 105 | 115.2 Ų | 115.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | 59.9 | 117 | 144.6 | 62.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 921 | S | 35.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | | | | 81.8 | 105.1 | 121.8 | 70.8 | 0 | 0 | 0 | 0 | 125.5 | | |
| 922 | S | 34.6 | Very low | 34.6 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | | 84.2 | 159.6 | 115.7 | 76.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 923 | T | 33.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 111.4 Ų | 111.4 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | trans | 73.6 | 121.2 | 174.5 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 924 | A | 31.7 | Very low | 34.3 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | | | | 78.9 | 142.3 | 88 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 925 | S | 31.8 | Very low | 33.9 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | cis | -174.2 | 168.3 | -5.6 | 41.5 | 0 | 0 | 0 | 0 | 110 | | |
| 926 | V | 29.7 | Very low | 33.9 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | | | trans | 55.3 | 134.4 | 157.1 | -68.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 927 | S | 28.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | 72.8 | 101.5 | 137.9 | -64.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 928 | A | 28.1 | Very low | 33.8 | Very low | 96 Ų | 96 | 115 Ų | 115 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | | | | 76.8 | 175.8 | 113.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 929 | T | 34.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 114 Ų | 114 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | | | trans | 85.7 | 75.3 | 171.3 | -31.3 | 0 | 0 | 0 | 0 | 117 | P931 | T929-P931 WeakPolarHBondContact O-CD 3.28Š|
| 930 | V | 34 | Very low | 34 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | -44.1 | 136 | 146.9 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 931 | P | 37.6 | Very low | 34 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | | -149.3 | 156.1 | 120.8 | 37.8 | -22.4 | 0 | 0 | 0 | 117 | T929 | T929-P931 WeakPolarHBondContact O-CD 3.28Š|
| 932 | S | 33.9 | Very low | 34 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | trans | 72.9 | 126.6 | 148 | -76.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 933 | N | 30.2 | Very low | 33.9 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | | 72.3 | 142.9 | 66.1 | -64.3 | -47.7 | 0 | 0 | 0 | 111.8 | | |
| 934 | Q | 33.6 | Very low | 34.2 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | cis | -166 | 163 | 28.1 | -144.7 | 172.3 | 89 | 0 | 0 | 113 | | |
| 935 | I | 34.6 | Very low | 34.1 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | trans | 83.5 | 126.1 | 161.2 | -54.2 | 147.2 | 0 | 0 | 0 | 113.7 | | |
| 936 | G | 34.6 | Very low | 34.3 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | | | cis | 124.9 | 137.1 | 37.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 937 | N | 37.2 | Very low | 34.5 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | cis | -146.8 | 167.9 | 25.2 | -68.8 | -37.3 | 0 | 0 | 0 | 114.5 | | |
| 938 | S | 36.1 | Very low | 34.8 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -52.9 | 170.3 | 169.9 | 54.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 939 | P | 44 | Very low | 35.1 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | cis | -144.1 | 145.3 | 30.4 | 44.8 | -24.9 | 0 | 0 | 0 | 119 | | |
| 940 | V | 37.2 | Very low | 34.8 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | | 67.4 | 124.8 | 100.8 | -178.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 941 | N | 34.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | | | cis | -138.6 | -127.4 | 3.9 | -155.6 | -4.9 | 0 | 0 | 0 | 111.1 | | |
| 942 | L | 35.4 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | -151.9 | 66.7 | -0.1 | -146.7 | 176.3 | 0 | 0 | 0 | 113.8 | | |
| 943 | F | 31.6 | Very low | 34.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 75% | 0.746 | 77% | 0.766 | S | S | * | * | | | trans | 67 | 156.5 | 157.5 | -81.2 | -101.7 | 0 | 0 | 0 | 122.6 | | |
| 944 | P | 39.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | | | trans | -134 | -159.4 | -170.8 | 41.1 | -19.8 | 0 | 0 | 0 | 114.3 | | |
| 945 | S | 30.8 | Very low | 35 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | | | trans | 108.3 | 120.6 | 151.8 | -40.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 946 | H | 35.6 | Very low | 34.9 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -169.1 | 106.5 | 145.1 | 37.7 | -85.3 | 0 | 0 | 0 | 105.4 | | |
| 947 | L | 33.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | | 61 | 113.6 | 50.8 | -67.6 | 169.5 | 0 | 0 | 0 | 113.9 | | |
| 948 | L | 35.2 | Very low | 34.6 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | | | trans | -52.4 | 151.9 | 167.7 | -64.9 | 140.7 | 0 | 0 | 0 | 111 | | |
| 949 | P | 33.9 | Very low | 34.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | | -146.1 | -177.2 | 90 | 40.3 | -24.3 | 0 | 0 | 0 | 115.8 | | |
| 950 | S | 27.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -77.5 | -164.1 | 171.2 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 951 | M | 31.8 | Very low | 33.5 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | | | trans | 94.3 | 106.8 | -177.4 | -56.1 | 178.1 | -179.3 | 0 | 0 | 113.4 | | |
| 952 | V | 29.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | | | | 69.3 | 101.2 | 73.2 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 953 | S | 32 | Very low | 32.9 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | | -179.4 | 160.2 | 107.1 | -146.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 954 | A | 39.2 | Very low | 32.8 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | | | trans | -88.6 | 170.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 955 | P | 41.2 | Very low | 32.3 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | | | | -131.5 | 145.3 | 94.8 | 38.9 | -29.9 | 0 | 0 | 0 | 112.3 | | |
| 956 | N | 33.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | | 59.3 | 112.4 | 61.4 | -78.1 | -14.4 | 0 | 0 | 0 | 114.7 | | |
| 957 | F | 32.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | | -164.6 | 114.8 | 108.8 | -92 | -69.6 | 0 | 0 | 0 | 106.9 | | |
| 958 | S | 31.5 | Very low | 31.6 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | | 77.4 | 146.7 | 109.3 | -74.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 959 | I | 33 | Very low | 31.4 | Very low | 141 Ų | 141 | 126 Ų | 126 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | | | cis | -149.9 | 162.7 | 12.3 | -132.9 | 158.2 | 0 | 0 | 0 | 111.8 | | |
| 960 | I | 32.4 | Very low | 31.2 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | trans | 4.1 | 135.9 | 159.2 | -52.3 | 153.2 | 0 | 0 | 0 | 117.7 | | |
| 961 | G | 29.8 | Very low | 31.5 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | | | cis | 124.5 | 146.1 | 2.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 962 | S | 29.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | 57.2 | 131.2 | 158.3 | 58.7 | 0 | 0 | 0 | 0 | 122 | | |
| 963 | H | 28.6 | Very low | 31.7 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | 42.2 | 120.3 | 144.5 | -82.5 | -100.9 | 0 | 0 | 0 | 120.5 | | |
| 964 | F | 29.4 | Very low | 31.8 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | | | | -173.1 | 127.8 | 103.5 | -114 | -114.1 | 0 | 0 | 0 | 107.5 | | |
| 965 | Q | 27.4 | Very low | 31.6 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | | 85.3 | 110.2 | 65.6 | -139.8 | 89.5 | 20.6 | 0 | 0 | 113.9 | | |
| 966 | G | 27.3 | Very low | 31.6 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | | | trans | 83.5 | 164 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 967 | F | 29.6 | Very low | 31.9 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 79% | 0.789 | 71% | 0.711 | S | S | * | * | | | cis | -153.7 | 150.1 | 5.4 | -93.1 | -77.2 | 0 | 0 | 0 | 112.3 | | |
| 968 | N | 28.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | | | trans | 67 | 149.1 | 149 | -63.3 | -10.8 | 0 | 0 | 0 | 118.2 | | |
| 969 | T | 31.3 | Very low | 32 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | | | cis | -154.8 | 140.7 | -6.4 | 10.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 970 | S | 29.8 | Very low | 32 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | | | | 53.8 | 118 | 100.4 | -142.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 971 | L | 33.6 | Very low | 32.1 | Very low | 141 Ų | 141 | 125 Ų | 125 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | | -166.9 | 167.3 | 56.3 | -70.2 | 163.1 | 0 | 0 | 0 | 107.4 | | |
| 972 | N | 32.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | | | cis | -166.1 | 143.4 | -1.4 | -112.7 | -5.1 | 0 | 0 | 0 | 108.8 | | |
| 973 | N | 32.9 | Very low | 32.5 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | 57 | 155.1 | 145.1 | -50.3 | -5.8 | 0 | 0 | 0 | 120.1 | | |
| 974 | S | 33.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 126 Ų | 126 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | | | cis | 178.7 | 151.7 | -18.7 | -89.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 975 | D | 35.4 | Very low | 33.1 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | | | cis | -164 | 150.8 | -20.4 | -83.9 | -44.9 | 0 | 0 | 0 | 107.4 | | |
| 976 | D | 41.5 | Very low | 33.3 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -74 | -176.8 | 172 | -64.8 | -67.2 | 0 | 0 | 0 | 112.7 | | |
| 977 | P | 39.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | | -155.6 | 136 | 92.3 | 37.1 | -16.5 | 0 | 0 | 0 | 120.5 | | |
| 978 | F | 32.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | | | | 43 | 126.1 | 126.9 | -72.1 | -106.6 | 0 | 0 | 0 | 121.3 | | |
| 979 | I | 33.7 | Very low | 33.7 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | | | | 80.6 | 147.8 | 60 | -64.3 | 167.1 | 0 | 0 | 0 | 114.8 | | |
| 980 | T | 33.1 | Very low | 33.8 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | 106.8 | 152.4 | 163.8 | 67.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 981 | S | 33.2 | Very low | 34 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | cis | -175.4 | 176.6 | -36.3 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 982 | S | 35 | Very low | 34 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | | | trans | 86.4 | 150.3 | 151.2 | 77.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 983 | S | 34.2 | Very low | 33.9 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | -102.6 | 177 | -177.6 | -41 | 0 | 0 | 0 | 0 | 111.4 | | |
| 984 | P | 39.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | | -156.4 | 151.7 | 87.8 | 39.7 | -19.8 | 0 | 0 | 0 | 119.2 | | |
| 985 | S | 30.2 | Very low | 34.1 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | 31.5 | 123 | 131.1 | -46 | 0 | 0 | 0 | 0 | 123.8 | | |
| 986 | S | 30.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | | 61.5 | 125.4 | 128.7 | 67.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 987 | S | 32.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | | -171 | 142.9 | 119.5 | 31.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 988 | I | 33.7 | Very low | 33.5 | Very low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 50.4 | 93.1 | 140.3 | -56.7 | 171.2 | 0 | 0 | 0 | 116.7 | | |
| 989 | Q | 29.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | 63.2 | 115.7 | 94.1 | -69.4 | 177.9 | -25.6 | 0 | 0 | 117.1 | | |
| 990 | S | 31.7 | Very low | 33.4 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | | 173.5 | 143 | 117.1 | -77.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 991 | G | 34.6 | Very low | 33.2 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | trans | 77.9 | 104.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 992 | T | 32.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | | 59 | 109.4 | 50.9 | -37.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 993 | I | 32.5 | Very low | 33.8 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | | -128.7 | 137.2 | 54.5 | -68.1 | 170.8 | 0 | 0 | 0 | 114 | | |
| 994 | L | 32.6 | Very low | 34.1 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -104.4 | 174.1 | 160.6 | -81.8 | 97 | 0 | 0 | 0 | 109.1 | | |
| 995 | P | 36.8 | Very low | 34.4 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | cis | -136 | -173.7 | -46.3 | 39.8 | -23.5 | 0 | 0 | 0 | 111.8 | I997 | P995-I997 HydrophobicContact CG-CD1 4.46Š|
| 996 | G | 32.2 | Very low | 35.2 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | | | trans | -171.9 | 109.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 997 | I | 33.6 | Very low | 35.9 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | | | | 72.7 | 125.8 | 55.2 | -56.9 | -178.4 | 0 | 0 | 0 | 111.3 | P995 | P995-I997 HydrophobicContact CG-CD1 4.46Š|
| 998 | P | 37.8 | Very low | 36.4 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | | | trans | -106.1 | 148 | -149 | 39.2 | -33.6 | 0 | 0 | 0 | 115.6 | | |
| 999 | N | 34 | Very low | 36.6 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | | | trans | -128.3 | 128.5 | 169.6 | -60.1 | -36 | 0 | 0 | 0 | 105.6 | | |
| 1000 | N | 30.6 | Very low | 36.9 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | | | cis | 57.9 | 125.3 | 17.2 | -146.5 | 13.7 | 0 | 0 | 0 | 114.4 | | |
| 1001 | F | 29.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 111.9 Ų | 111.9 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | 56.2 | 88.5 | -172.9 | -81 | -95.6 | 0 | 0 | 0 | 117.1 | | |
| 1002 | T | 40.6 | Very low | 37.1 | Very low | 140 Ų | 140 | 112.4 Ų | 112.4 | 86% | 0.859 | 69% | 0.691 | S | S | * | * | | | trans | -125.7 | 88.5 | 135.8 | 38.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1003 | D | 39.1 | Very low | 37.1 | Very low | 74 Ų | 74 | 110.1 Ų | 110.1 | 40% | 0.396 | 69% | 0.685 | S | S | . | * | | | trans | -29.2 | 132.6 | 168.3 | -178.1 | 3.4 | 0 | 0 | 0 | 115.3 | N1005 A1006 | D1003-N1005 PolarHBondContact O-N 2.74Å; D1003-N1005 VanDerWaalsContact O-N 3.11Å; D1003-N1005 PolarHBondContact OD1-N 3.18Å; D1003-N1005 PolarHBondContact OD1-ND2 2.84Å; D1003-N1005 WeakPolarHBondContact OD2-CB 3.23Å; D1003-N1005 PolarHBondContact OD2-ND2 3.46Å; D1003-N1005 VanDerWaalsContact OD2-ND2 3.12Å; D1003-A1006 WeakPolarHBondContact O-CB 3.46Å; D1003-A1006 PolarHBondContact O-N 3.26Å |
| 1004 | P | 41.9 | Very low | 37.1 | Very low | 103 Ų | 103 | 107 Ų | 107 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -28.5 | 168.7 | -28 | 36.3 | 0 | 0 | 0 | 114.8 | A1006 | P1004-A1006 PolarHBondContact O-N 2.87Š|
| 1005 | N | 46 | Very low | 37 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70 | -15.7 | 175.8 | -52.1 | -57.8 | 0 | 0 | 0 | 113.2 | D1003 M1007 A1008 A1009 | D1003-N1005 PolarHBondContact O-N 2.74Å; D1003-N1005 VanDerWaalsContact O-N 3.11Å; D1003-N1005 PolarHBondContact OD1-N 3.18Å; D1003-N1005 PolarHBondContact OD1-ND2 2.84Å; D1003-N1005 WeakPolarHBondContact OD2-CB 3.23Å; D1003-N1005 PolarHBondContact OD2-ND2 3.46Å; D1003-N1005 VanDerWaalsContact OD2-ND2 3.12Å; N1005-M1007 PolarHBondContact O-N 2.93Å; N1005-A1008 WeakPolarHBondContact O-CB 3.47Å; N1005-A1008 PolarHBondContact O-N 3.46Å; N1005-A1009 PolarHBondContact O-N 3.2Å |
| 1006 | A | 47 | Very low | 36.9 | Very low | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -67.9 | -34.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1003 P1004 A1009 A1010 | D1003-A1006 WeakPolarHBondContact O-CB 3.46Å; D1003-A1006 PolarHBondContact O-N 3.26Å; P1004-A1006 PolarHBondContact O-N 2.87Å; A1006-A1009 PolarHBondContact O-N 3.37Å; A1006-A1010 PolarHBondContact O-N 2.94Å |
| 1007 | M | 45.2 | Very low | 37 | Very low | 162 Ų | 162 | 108.9 Ų | 108.9 | 80% | 0.798 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.2 | -28 | 172.4 | -90.8 | -169.5 | 172.7 | 0 | 0 | 112.7 | N1005 A1009 A1010 A1011 | N1005-M1007 PolarHBondContact O-N 2.93Å; M1007-A1009 VanDerWaalsContact C-N 3.25Å; M1007-A1009 PolarHBondContact O-N 3.23Å; M1007-A1010 PolarHBondContact O-N 3.23Å; M1007-A1011 PolarHBondContact O-N 2.83Å |
| 1008 | A | 41.9 | Very low | 37.1 | Very low | 71 Ų | 71 | 111 Ų | 111 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.1 | -29.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1005 | N1005-A1008 WeakPolarHBondContact O-CB 3.47Å; N1005-A1008 PolarHBondContact O-N 3.46Å |
| 1009 | A | 37.8 | Very low | 36.8 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -77.1 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1005 A1006 M1007 A1012 | N1005-A1009 PolarHBondContact O-N 3.2Å; A1006-A1009 PolarHBondContact O-N 3.37Å; M1007-A1009 VanDerWaalsContact C-N 3.25Å; M1007-A1009 PolarHBondContact O-N 3.23Å; A1009-A1012 PolarHBondContact O-N 3.05Å |
| 1010 | A | 36.8 | Very low | 37 | Very low | 75 Ų | 75 | 107 Ų | 107 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72 | -31.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1006 M1007 A1012 | A1006-A1010 PolarHBondContact O-N 2.94Å; M1007-A1010 PolarHBondContact O-N 3.23Å; A1010-A1012 PolarHBondContact O-N 2.83Å |
| 1011 | A | 37.6 | Very low | 37.1 | Very low | 86 Ų | 86 | 104 Ų | 104 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -72.2 | -13.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | M1007 | M1007-A1011 PolarHBondContact O-N 2.83Š|
| 1012 | A | 33.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -84.8 | -3.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1009 A1010 | A1009-A1012 PolarHBondContact O-N 3.05Å; A1010-A1012 PolarHBondContact O-N 2.83Å |
| 1013 | A | 32.4 | Very low | 37.3 | Very low | 83 Ų | 83 | 104 Ų | 104 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -106.3 | -0.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1014 | A | 31.3 | Very low | 37.2 | Very low | 97 Ų | 97 | 106.3 Ų | 106.3 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -130.2 | 27.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1015 | A | 32 | Very low | 36.9 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -149.1 | 31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1016 | T | 33.7 | Very low | 36.3 | Very low | 122 Ų | 122 | 109 Ų | 109 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -128.1 | 52.2 | -176.1 | 35.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1017 | L | 33.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 110 Ų | 110 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -162.3 | 126.2 | 166.9 | -134 | 73.4 | 0 | 0 | 0 | 108.2 | | |
| 1018 | F | 35.4 | Very low | 35 | Very low | 193 Ų | 193 | 106.7 Ų | 106.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | cis | -105.8 | 158 | -10.8 | -78.8 | -112.3 | 0 | 0 | 0 | 108 | | |
| 1019 | G | 33.4 | Very low | 34.5 | Very low | 73 Ų | 73 | 113.5 Ų | 113.5 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | 98.4 | 140.5 | 43.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1020 | A | 36.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 116 Ų | 116 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | | | cis | -150.9 | 155.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1021 | G | 33.7 | Very low | 33.9 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -174.2 | 31.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1022 | F | 32.9 | Very low | 33.7 | Very low | 184 Ų | 184 | 119.6 Ų | 119.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 138.6 | 163.5 | -93.3 | -90.4 | 0 | 0 | 0 | 109.3 | | |
| 1023 | P | 41.1 | Very low | 34 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | -136.3 | 166 | 79.3 | 23.9 | -3.1 | 0 | 0 | 0 | 113.9 | | |
| 1024 | T | 37.4 | Very low | 34.1 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | cis | -161.8 | 157.8 | -13.3 | -96 | 0 | 0 | 0 | 0 | 109 | | |
| 1025 | L | 34.6 | Very low | 34.3 | Very low | 146 Ų | 146 | 122.1 Ų | 122.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -61 | -178.8 | 172 | -74.2 | 161.4 | 0 | 0 | 0 | 113.1 | | |
| 1026 | P | 33.5 | Very low | 34.4 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | -135.1 | -167.8 | 5.7 | 43.3 | -25.8 | 0 | 0 | 0 | 114.6 | | |
| 1027 | G | 33.7 | Very low | 34.4 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 135.5 | 65.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1028 | A | 32.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -81.1 | 140.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1029 | F | 31.4 | Very low | 34.4 | Very low | 213 Ų | 213 | 110.5 Ų | 110.5 | 93% | 0.934 | 72% | 0.722 | S | S | * | * | | | trans | -132.1 | 119.8 | 158.8 | -103.4 | -79.7 | 0 | 0 | 0 | 110.2 | | |
| 1030 | T | 31.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 112 Ų | 112 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | | | trans | -90.7 | 140.3 | -178.2 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1031 | A | 31 | Very low | 34 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | | | trans | -143.7 | 58.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1032 | T | 34.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | | | trans | -90 | 166.8 | 156.5 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1033 | P | 38.5 | Very low | 33.6 | Very low | 101 Ų | 101 | 112.1 Ų | 112.1 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | | | cis | -119.6 | -151.8 | -33.7 | 32.6 | -12.6 | 0 | 0 | 0 | 109.5 | | |
| 1034 | P | 35.9 | Very low | 33 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | | | | -136 | 171.2 | 95.3 | 38.8 | -28.7 | 0 | 0 | 0 | 114.4 | | |
| 1035 | S | 35.5 | Very low | 32.4 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | | | trans | -113.5 | -166.8 | -177.7 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1036 | L | 33.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 52% | 0.518 | 69% | 0.685 | S | S | . | * | | | trans | 82.3 | 152.5 | 177.1 | -40 | -170.3 | 0 | 0 | 0 | 115.1 | L558 G559 | L558-L1036 WeakPolarHBondContact O-CD2 3.14Å; G559-L1036 WeakPolarHBondContact O-CA 3.31Å; G559-L1036 WeakPolarHBondContact O-CD2 3.48Å |
| 1037 | P | 32.9 | Very low | 32 | Very low | 89 Ų | 89 | 113.1 Ų | 113.1 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | | | cis | -106.1 | -162.1 | -9.8 | 11.3 | 13.7 | 0 | 0 | 0 | 113.7 | G559 C560 N561 | G559-P1037 CarbonylContact O-C 3.51Å; G559-P1037 VanDerWaalsContact O-CA 3.28Å; G559-P1037 WeakPolarHBondContact O-CA 3.49Å; C560-P1037 WeakPolarHBondContact CA-O 3.3Å; C560-P1037 WeakPolarHBondContact CB-O 3.46Å; N561-P1037 PolarHBondContact N-O 3.4Å; N561-P1037 PolarHBondContact OD1-O 3.07Å; N561-P1037 VanDerWaalsContact OD1-O 3.14Å |
| 1038 | L | 37.9 | Very low | 32 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 40% | 0.398 | 68% | 0.679 | S | S | . | * | | | trans | -145.1 | 149.9 | -178 | -158.5 | 163.3 | 0 | 0 | 0 | 107.3 | N561 | N561-L1038 VanDerWaalsContact N-CG 3.34Å; N561-L1038 VanDerWaalsContact O-CD1 3.32Å; N561-L1038 WeakPolarHBondContact O-CD1 3.31Å |
| 1039 | S | 32.7 | Very low | 32.1 | Very low | 54 Ų | 54 | 116 Ų | 116 | 38% | 0.378 | 68% | 0.677 | S | S | . | * | | | trans | 62.1 | 104.6 | 163.1 | -179.9 | 0 | 0 | 0 | 0 | 120.3 | Q1041 | S1039-Q1041 PolarHBondContact OG-OE1 3.28Š|
| 1040 | L | 33.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 110.7 Ų | 110.7 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | | | | -149 | 136.3 | 126.2 | -75.6 | 105.5 | 0 | 0 | 0 | 107.8 | | |
| 1041 | Q | 28.2 | Very low | 32 | Very low | 163 Ų | 163 | 111.4 Ų | 111.4 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | | | cis | 97.9 | 30.2 | -5.5 | -139.9 | 164.4 | -19.8 | 0 | 0 | 119.5 | S1039 | S1039-Q1041 PolarHBondContact OG-OE1 3.28Š|
| 1042 | T | 31.3 | Very low | 31.8 | Very low | 95 Ų | 95 | 111.6 Ų | 111.6 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | | | trans | -122.9 | 115.3 | 165.1 | -38.8 | 0 | 0 | 0 | 0 | 106.4 | I1044 | T1042-I1044 HydrophobicContact CG2-CD1 4.28Š|
| 1043 | T | 25.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | | | | 58.3 | 161.9 | 61.2 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1044 | I | 28.6 | Very low | 31 | Very low | 157 Ų | 157 | 111.8 Ų | 111.8 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | | | trans | 71.1 | 130.9 | 178.5 | -53.2 | 172.5 | 0 | 0 | 0 | 114 | T1042 | T1042-I1044 HydrophobicContact CG2-CD1 4.28Š|
| 1045 | S | 26 | Very low | 30.7 | Very low | 84 Ų | 84 | 111.1 Ų | 111.1 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | | | cis | -165.6 | 162 | -28.6 | -147 | 0 | 0 | 0 | 0 | 110 | | |
| 1046 | M | 27.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 110.5 Ų | 110.5 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | | | trans | 36.8 | 151.3 | 137.6 | -69.8 | 166.5 | -177.3 | 0 | 0 | 122.3 | | |
| 1047 | N | 31.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 111 Ų | 111 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | | | trans | 77 | 110.7 | 162.5 | -54.6 | -24.3 | 0 | 0 | 0 | 113.2 | | |
| 1048 | T | 32.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 111.1 Ų | 111.1 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | | | cis | 54.4 | 148.8 | 34.5 | 98 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1049 | P | 34.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 112 Ų | 112 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | | | cis | -113.7 | -139.4 | -13.7 | 36.2 | -15.2 | 0 | 0 | 0 | 105.8 | | |
| 1050 | P | 33 | Very low | 29.5 | Very low | 101 Ų | 101 | 115 Ų | 115 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | | | cis | -131.7 | 175.1 | -13.2 | 28.5 | -4.6 | 0 | 0 | 0 | 116.4 | | |
| 1051 | L | 27 | Very low | 29.4 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | | | trans | -1 | 163 | 141.6 | -63.1 | 72.5 | 0 | 0 | 0 | 119.6 | | |
| 1052 | T | 27.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 69% | 0.693 | 65% | 0.653 | S | S | * | * | | | trans | 76.4 | 126.9 | 140.5 | 40.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1053 | T | 27.6 | Very low | 29.4 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | | | | 63.4 | 124.6 | 122.6 | -55 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1054 | T | 28.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | | | cis | 178.4 | -173.3 | 6.4 | -101.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1055 | T | 28 | Very low | 29.8 | Very low | 114 Ų | 114 | 115 Ų | 115 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | | | trans | 63.5 | 96.8 | 160.7 | 37.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1056 | T | 28 | Very low | 30.1 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 42% | 0.417 | 65% | 0.654 | S | S | . | * | | | | 67.8 | 110.5 | 90 | 62.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1057 | T | 29 | Very low | 30.4 | Very low | 109 Ų | 109 | 111.7 Ų | 111.7 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | | | trans | -155.7 | 135 | 146.5 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | S590 | S590-T1057 WeakPolarHBondContact O-CA 3.43Š|
| 1058 | T | 29.8 | Very low | 30.5 | Very low | 91 Ų | 91 | 109.1 Ų | 109.1 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | | | trans | -141.3 | -124.6 | 171.9 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | T589 P591 | T589-T1058 WeakPolarHBondContact O-CB 3.39Å; T589-T1058 PolarHBondContact O-N 3.28Å; T589-T1058 PolarHBondContact O-OG1 2.98Å; P591-T1058 VanDerWaalsContact CG-O 3.23Å; P591-T1058 WeakPolarHBondContact CG-O 3.45Å |
| 1059 | L | 30.4 | Very low | 30.5 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | | | trans | 55.9 | 139.8 | 179.8 | -51.3 | -166.8 | 0 | 0 | 0 | 117.7 | P591 | P591-L1059 VanDerWaalsContact CD-CD1 3.42Å; P591-L1059 HydrophobicContact CG-CB 3.56Å; P591-L1059 HydrophobicContact CG-CD1 3.8Å; P591-L1059 HydrophobicContact CG-CG 3.6Å |
| 1060 | N | 30.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | S | Bend | cis | -146.1 | 155.5 | 1.4 | -100 | -26.5 | 0 | 0 | 0 | 107.2 | | |
| 1061 | N | 31.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 111 Ų | 111 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | | | cis | -150.9 | 132.3 | -0.1 | -115.9 | -39.5 | 0 | 0 | 0 | 106.2 | | |
| 1062 | S | 29.6 | Very low | 30.2 | Very low | 79 Ų | 79 | 110.3 Ų | 110.3 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | | | | 66 | 131.8 | 98.7 | -55.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1063 | Y | 30.5 | Very low | 30.5 | Very low | 194 Ų | 194 | 113.5 Ų | 113.5 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | | | cis | -136.7 | 131.2 | 27 | -69.9 | -96.6 | 0 | 0 | 0 | 111.8 | | |
| 1064 | L | 31.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 112.7 Ų | 112.7 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | | | | 68.4 | 136.2 | 108.7 | -53.8 | -172.1 | 0 | 0 | 0 | 115.7 | | |
| 1065 | V | 32.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 64% | 0.642 | 64% | 0.64 | S | S | * | * | | | cis | -155.7 | 140.2 | 10 | 102.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1066 | N | 32.5 | Very low | 31.1 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | | | trans | 43.2 | 148.9 | 150.7 | -56.4 | -9.2 | 0 | 0 | 0 | 122.6 | | |
| 1067 | N | 32.3 | Very low | 31.2 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 37% | 0.369 | 66% | 0.659 | S | S | . | * | | | cis | -167 | 132.2 | -17.8 | -96.2 | -24.5 | 0 | 0 | 0 | 106.1 | N585 Y586 | N585-N1067 PolarHBondContact OD1-ND2 2.83Å; Y586-N1067 PolarHBondContact N-ND2 2.61Å |
| 1068 | S | 34.4 | Very low | 31.3 | Very low | 81 Ų | 81 | 119.2 Ų | 119.2 | 57% | 0.566 | 67% | 0.673 | S | S | * | * | | | | 64 | 133.5 | 96.9 | -40.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1069 | S | 32.7 | Very low | 31.4 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | | | cis | -154.2 | 141.9 | 38.1 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1070 | L | 29.7 | Very low | 31.3 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | | | | 66.2 | 141.2 | 102.3 | -52 | 175.5 | 0 | 0 | 0 | 114.9 | | |
| 1071 | I | 29.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | cis | -163.1 | 171.8 | 6.5 | -131.2 | 166.7 | 0 | 0 | 0 | 112.3 | | |
| 1072 | N | 30.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | | | trans | 68.3 | 121.1 | 176.2 | -63.9 | -19.1 | 0 | 0 | 0 | 116.6 | | |
| 1073 | Q | 31.9 | Very low | 32 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | | | cis | 80.4 | 98.1 | 47.6 | -67.9 | -177.5 | 15.7 | 0 | 0 | 114.8 | | |
| 1074 | S | 31.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | | 176.7 | 133.4 | 107.2 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1075 | D | 33.4 | Very low | 31.9 | Very low | 164 Ų | 164 | 130 Ų | 130 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | | | trans | 45.9 | 128 | 147.6 | -51.9 | -32.5 | 0 | 0 | 0 | 123.2 | | |
| 1076 | G | 31.8 | Very low | 31.8 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | | 121.4 | 92.8 | 117.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1077 | C | 30.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | 51.1 | 96.6 | 139.5 | -166 | 0 | 0 | 0 | 0 | 118.7 | K1079 | C1077-K1079 PolarHBondContact O-N 3.25Š|
| 1078 | L | 30 | Very low | 31.7 | Very low | 187 Ų | 187 | 139 Ų | 139 | 98% | 0.979 | 75% | 0.752 | S | S | * | * | | | trans | -64.7 | 121.9 | 159 | -76 | 178.7 | 0 | 0 | 0 | 110.2 | | |
| 1079 | K | 32.6 | Very low | 31.3 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | -120.6 | 152 | -176.2 | -177.5 | 175.6 | 178.2 | 179.6 | 0 | 109.2 | C1077 | C1077-K1079 PolarHBondContact O-N 3.25Š|
| 1080 | F | 29.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -44.9 | 144.8 | 175.4 | -64 | -95.8 | 0 | 0 | 0 | 113.1 | I1082 | F1080-I1082 PolarHBondContact O-N 2.87Š|
| 1081 | P | 41.5 | Very low | 31.1 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -68.5 | 82.9 | 166.9 | 30.6 | -34.4 | 0 | 0 | 0 | 110 | | |
| 1082 | I | 32.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | trans | -75.6 | 128.8 | 160.1 | -67.8 | 176.4 | 0 | 0 | 0 | 107.3 | F1080 | F1080-I1082 PolarHBondContact O-N 2.87Š|
| 1083 | L | 29.9 | Very low | 31.4 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 4.5 | 124.4 | 154.1 | -55.3 | 170.2 | 0 | 0 | 0 | 116.1 | | |
| 1084 | N | 30.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | -122.5 | 113.4 | 151.5 | -158.8 | 12.7 | 0 | 0 | 0 | 109.7 | | |
| 1085 | N | 29.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -127 | 132.1 | 178.3 | -153.4 | -9.2 | 0 | 0 | 0 | 107.1 | | |
| 1086 | L | 31.2 | Very low | 32 | Very low | 128 Ų | 128 | 138 Ų | 138 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | 60.8 | 112.8 | -176.1 | -74.9 | 67.3 | 0 | 0 | 0 | 117.7 | | |
| 1087 | R | 29.8 | Very low | 31.9 | Very low | 225 Ų | 225 | 140.9 Ų | 140.9 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | | | trans | -143.4 | 80.3 | 133.7 | -163.9 | 170.2 | -173.2 | 130.6 | -0.5 | 109.7 | | |
| 1088 | N | 31.6 | Very low | 32 | Very low | 112 Ų | 112 | 142 Ų | 142 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | | | | 56.6 | 105.6 | 96.7 | -88.2 | -4.3 | 0 | 0 | 0 | 115.9 | | |
| 1089 | Q | 27.7 | Very low | 32.1 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | | 42.9 | 111.6 | 129.5 | -59.5 | -177.6 | 3.3 | 0 | 0 | 119.6 | | |
| 1090 | A | 29.6 | Very low | 31.8 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | | 168.3 | 152.3 | 124.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1091 | N | 28.4 | Very low | 32 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | | | cis | -167.3 | 169.2 | -22.9 | -98.7 | -19.5 | 0 | 0 | 0 | 106 | | |
| 1092 | H | 34.5 | Very low | 31.4 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 71% | 0.712 | S | S | * | * | | | trans | 71.3 | 138.4 | 168.7 | -45.8 | -63.8 | 0 | 0 | 0 | 115.2 | | |
| 1093 | S | 31.7 | Very low | 31.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | | | cis | -150.8 | 161.1 | -0.2 | -112.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1094 | N | 30.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | | | trans | -38 | 149.8 | 164.1 | -147.8 | 24.8 | 0 | 0 | 0 | 112.9 | N1096 | N1094-N1096 VanDerWaalsContact CG-N 3.29Å; N1094-N1096 PolarHBondContact ND2-OD1 3.03Å; N1094-N1096 VanDerWaalsContact ND2-OD1 3.11Å; N1094-N1096 PolarHBondContact OD1-N 3.09Å |
| 1095 | P | 42.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | | | | -140.1 | 118.7 | 83.9 | 35.5 | -20.4 | 0 | 0 | 0 | 116.4 | | |
| 1096 | N | 35.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 58% | 0.578 | 70% | 0.698 | S | S | * | * | | | trans | 79.3 | 132.9 | 134.6 | -62.6 | -31.1 | 0 | 0 | 0 | 116.5 | N1094 | N1094-N1096 VanDerWaalsContact CG-N 3.29Å; N1094-N1096 PolarHBondContact ND2-OD1 3.03Å; N1094-N1096 VanDerWaalsContact ND2-OD1 3.11Å; N1094-N1096 PolarHBondContact OD1-N 3.09Å |
| 1097 | N | 28.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | | | | 59.5 | 137.1 | 61.8 | -66.4 | -28.9 | 0 | 0 | 0 | 111 | | |
| 1098 | L | 33 | Very low | 31.5 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | | | cis | -160.5 | 164.4 | 31 | -162.6 | 74.6 | 0 | 0 | 0 | 110.6 | | |
| 1099 | L | 32.4 | Very low | 31.6 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 64% | 0.644 | 70% | 0.698 | S | S | * | * | | | trans | 66.1 | 129.7 | 163.6 | -104.4 | 55.3 | 0 | 0 | 0 | 114.8 | | |
| 1100 | I | 26.6 | Very low | 31.8 | Very low | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | | | cis | 61.2 | 103.8 | 40 | -47.3 | 169.7 | 0 | 0 | 0 | 111.4 | | |
| 1101 | D | 33.2 | Very low | 32 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | | | trans | -173.5 | 104.4 | 135.5 | -87.5 | -18 | 0 | 0 | 0 | 104.6 | | |
| 1102 | T | 29.6 | Very low | 32.1 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | | | | 65.6 | 139.1 | 83.9 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1103 | N | 28 | Very low | 32 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | | | trans | 69.3 | 158.1 | 158.3 | -67.7 | 20.3 | 0 | 0 | 0 | 115.6 | | |
| 1104 | E | 29.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | | | cis | -160.3 | 140 | -13.4 | -113 | 163 | 148 | 0 | 0 | 103.6 | | |
| 1105 | S | 34.1 | Very low | 32.2 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | | | cis | 152.1 | 173.9 | 49.8 | 53 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1106 | N | 29.3 | Very low | 31.8 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | 54.3 | 138 | 142.5 | -60.3 | -19 | 0 | 0 | 0 | 120.8 | | |
| 1107 | T | 34.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | | | cis | -160.1 | 168.9 | 10 | -3.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1108 | S | 29.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | | | trans | -30.4 | 159.8 | 158.7 | 54.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1109 | S | 34.1 | Very low | 31.7 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | | | cis | -154.5 | 165.5 | 28.8 | -30.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1110 | G | 31 | Very low | 31.8 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | | | | 71.4 | 131.9 | 65 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1111 | L | 34.2 | Very low | 32.2 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | | | cis | -162.5 | 129.1 | 36.8 | -86 | 165.4 | 0 | 0 | 0 | 110.6 | | |
| 1112 | R | 30.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 127.9 Ų | 127.9 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | | | | 82.2 | 101.1 | 93.1 | -170.3 | -171.1 | 66.1 | -163.4 | -1.3 | 117.2 | | |
| 1113 | S | 32.3 | Very low | 32.4 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | | | trans | 50.8 | 133.5 | 134.5 | -37.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1114 | K | 35.9 | Very low | 32.7 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | | -163.8 | 134.4 | 101.9 | -96.3 | 143.8 | -172 | 177.3 | 0 | 112.5 | | |
| 1115 | N | 30.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | | 37.5 | 140.3 | 127.1 | -48.1 | 11.7 | 0 | 0 | 0 | 117.4 | | |
| 1116 | K | 33 | Very low | 32.5 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 77% | 0.774 | 71% | 0.707 | S | S | * | * | | | | -177.1 | 122.2 | 66.5 | 172 | -170.2 | 173.6 | -166.4 | 0 | 112.9 | | |
| 1117 | L | 30.6 | Very low | 32.5 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | | | trans | 61.8 | 152.8 | 169.4 | -81.4 | 72.3 | 0 | 0 | 0 | 114 | | |
| 1118 | T | 31.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | | | cis | -167.9 | 152.2 | -13.6 | 26.6 | 0 | 0 | 0 | 0 | 104.7 | | |
| 1119 | L | 35 | Very low | 32.3 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | cis | -154.1 | 174.4 | 9.4 | -126.7 | 159.1 | 0 | 0 | 0 | 109.1 | | |
| 1120 | H | 35 | Very low | 32.3 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | | | trans | -32.2 | 159.5 | 170.8 | -66 | -46.8 | 0 | 0 | 0 | 118.4 | | |
| 1121 | D | 35.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | | | cis | -164.2 | 146 | -12.3 | -101.5 | -10.9 | 0 | 0 | 0 | 106.8 | | |
| 1122 | N | 32.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | | | | 48.3 | 100.8 | 86.7 | -51.4 | -50.2 | 0 | 0 | 0 | 112.1 | | |
| 1123 | D | 34.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | | 95.7 | -177.9 | 76.4 | -88.7 | -45.2 | 0 | 0 | 0 | 111.6 | | |
| 1124 | D | 33.2 | Very low | 32.7 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | | | trans | 70.9 | 147.2 | 159.1 | -66.4 | -31.6 | 0 | 0 | 0 | 119.1 | | |
| 1125 | C | 31.4 | Very low | 32.5 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | | | cis | -149.9 | 145.6 | -20.4 | -122.9 | 0 | 0 | 0 | 0 | 107 | | |
| 1126 | Q | 28.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | | | | 36.3 | 152.1 | 90.8 | -57 | -142.5 | 64.2 | 0 | 0 | 118.5 | | |
| 1127 | F | 28.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | trans | 66.1 | 100.6 | 161.3 | -70.1 | -65.2 | 0 | 0 | 0 | 120.4 | | |
| 1128 | T | 30.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 68% | 0.681 | 70% | 0.698 | S | S | * | * | | | | 39.3 | 114.5 | 120.9 | 60.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1129 | S | 30.5 | Very low | 33 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | | | trans | 64.1 | 129 | 137.8 | 64.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1130 | S | 34.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | | | trans | 80.5 | 84.1 | 149.7 | -52.6 | 0 | 0 | 0 | 0 | 119 | | |
| 1131 | L | 35.9 | Very low | 33.1 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | | | | 38.9 | 148.8 | 111.1 | -62.1 | 170.9 | 0 | 0 | 0 | 120.1 | | |
| 1132 | P | 38.3 | Very low | 32.9 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 53% | 0.526 | 72% | 0.72 | S | S | . | * | | | cis | -144.4 | -176.4 | -41.6 | 39.1 | -20.5 | 0 | 0 | 0 | 113.7 | | |
| 1133 | L | 31.7 | Very low | 33 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | | | trans | 71.7 | 161.2 | 166.8 | -50.5 | 169.8 | 0 | 0 | 0 | 114.6 | | |
| 1134 | N | 30.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | | | cis | -159.2 | 143.3 | 14.7 | -148.6 | 10.9 | 0 | 0 | 0 | 112.5 | | |
| 1135 | L | 32.1 | Very low | 33 | Very low | 138 Ų | 138 | 126 Ų | 126 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | 64.7 | 151.5 | 159.9 | -52.4 | 159.3 | 0 | 0 | 0 | 117 | | |
| 1136 | T | 32.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | cis | -167 | 147.9 | -13.9 | 19 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1137 | A | 33.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | 66.3 | 146.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1138 | N | 33.2 | Very low | 33.8 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | cis | -146.3 | 160.6 | -3 | 58.4 | -46.6 | 0 | 0 | 0 | 112.6 | | |
| 1139 | E | 37 | Very low | 33.9 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | 39.4 | 129.6 | 141.6 | -66.1 | 145.9 | -168.8 | 0 | 0 | 120.2 | | |
| 1140 | T | 37.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | | | cis | -161.6 | 137.7 | -2.2 | 26.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1141 | G | 34.2 | Very low | 34 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | | 87.2 | 139.3 | 88 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1142 | L | 30.3 | Very low | 33.6 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | cis | -154.2 | 156.7 | 3.8 | -86.1 | 172.5 | 0 | 0 | 0 | 111.3 | | |
| 1143 | I | 33.9 | Very low | 33.6 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -15.2 | 161.3 | 152.4 | 50.1 | 169 | 0 | 0 | 0 | 119.6 | | |
| 1144 | N | 33.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | | | cis | -153.2 | 170.2 | 5 | -107.9 | -6.8 | 0 | 0 | 0 | 108.3 | | |
| 1145 | L | 35.5 | Very low | 33.7 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | 48.7 | 138 | 68.6 | -62.8 | 171.5 | 0 | 0 | 0 | 114 | | |
| 1146 | D | 32 | Very low | 33.6 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | cis | -145.6 | 165.2 | 19.3 | 56.3 | 27.5 | 0 | 0 | 0 | 113.8 | | |
| 1147 | E | 35.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | | 67.9 | 80.6 | 98 | -159.9 | 176.4 | -173.6 | 0 | 0 | 120.1 | | |
| 1148 | K | 37.2 | Very low | 33.7 | Very low | 218 Ų | 218 | 144.4 Ų | 144.4 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | | | | -144.6 | 137.5 | 126.7 | -72 | -163.8 | 179.6 | 158.3 | 0 | 110.3 | | |
| 1149 | G | 32.6 | Very low | 33.6 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -122.9 | 116.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1150 | T | 36.8 | Very low | 33.4 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -150.1 | 136.5 | 149.5 | 31.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1151 | P | 31.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | | -141.7 | 143 | 117.7 | 35.4 | -22.7 | 0 | 0 | 0 | 114.6 | | |
| 1152 | Y | 26.1 | Very low | 33.3 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -67.9 | 133.6 | 144 | -102 | -108.8 | 0 | 0 | 0 | 108.5 | | |
| 1153 | T | 38.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -147 | 128.9 | 145.4 | 47 | 0 | 0 | 0 | 0 | 109 | | |
| 1154 | D | 29.2 | Very low | 33.8 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -98.5 | 171.9 | 174.5 | -153 | -38 | 0 | 0 | 0 | 109.9 | | |
| 1155 | S | 35.2 | Very low | 33.9 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 74.3 | 140.6 | 160.5 | -60.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1156 | D | 30 | Very low | 33.7 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -62.2 | 151.6 | -176.2 | -73.9 | -82.9 | 0 | 0 | 0 | 116.1 | | |
| 1157 | S | 36.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -152.3 | 105.4 | 147.4 | -89 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1158 | R | 33.6 | Very low | 34.1 | Very low | 222 Ų | 222 | 150.6 Ų | 150.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | 59.6 | 89.5 | 132.7 | -55 | 179 | 77.3 | 163.5 | 5 | 119.1 | | |
| 1159 | S | 30.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | | 50.7 | 117.3 | 121 | 63.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1160 | S | 32.8 | Very low | 34.1 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | | -167.9 | 136.3 | 127 | -87.6 | 0 | 0 | 0 | 0 | 114 | | |
| 1161 | L | 33.4 | Very low | 34 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 40.6 | 135.4 | 135.3 | -48.8 | 172.4 | 0 | 0 | 0 | 119.6 | | |
| 1162 | M | 35.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | cis | -160.1 | -179 | 1.9 | -116 | -164.1 | 168.1 | 0 | 0 | 110.6 | | |
| 1163 | P | 37.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | | | trans | -104.4 | 173.4 | -150.2 | 42 | -40.5 | 0 | 0 | 0 | 116.9 | | |
| 1164 | L | 36.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | | | trans | -139.1 | 112.7 | 157 | -78.6 | 176.9 | 0 | 0 | 0 | 112.9 | | |
| 1165 | D | 35.7 | Very low | 34.5 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | 48.4 | 98.9 | 137.1 | -51.7 | -8.9 | 0 | 0 | 0 | 120.5 | | |
| 1166 | H | 31.8 | Very low | 34.6 | Very low | 179 Ų | 179 | 164 Ų | 164 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | -110.2 | 36.4 | -176.4 | -149 | -74.2 | 0 | 0 | 0 | 114.7 | | |
| 1167 | E | 33.8 | Very low | 34.7 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | trans | -112.8 | 24.7 | -166 | -145.9 | -171.8 | -176 | 0 | 0 | 116.2 | | |
| 1168 | K | 41.8 | Very low | 34.5 | Very low | 208 Ų | 208 | 163 Ų | 163 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -128.6 | 10.1 | -178.7 | -110.9 | 172.1 | -174.2 | 166.2 | 0 | 117.6 | | |
| 1169 | L | 37.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 159.9 Ų | 159.9 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -116.8 | -4.4 | 179.4 | -93.6 | 163.8 | 0 | 0 | 0 | 115.3 | | |
| 1170 | N | 32.1 | Very low | 35.1 | Very low | 160 Ų | 160 | 164.1 Ų | 164.1 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -100.3 | 26.2 | -172.3 | -147.6 | 21.6 | 0 | 0 | 0 | 114.6 | | |
| 1171 | N | 34.6 | Very low | 35.1 | Very low | 158 Ų | 158 | 166.1 Ų | 166.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -141.9 | 38.8 | -170.6 | -121.8 | -25.9 | 0 | 0 | 0 | 113.5 | | |
| 1172 | K | 38.6 | Very low | 35.2 | Very low | 206 Ų | 206 | 167.9 Ų | 167.9 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -143.8 | 25.6 | 175.7 | -147.2 | -176 | 178.5 | -175.7 | 0 | 114.7 | | |
| 1173 | L | 33.9 | Very low | 35 | Very low | 172 Ų | 172 | 166 Ų | 166 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -135.3 | 50 | 176.9 | -110.7 | 162.9 | 0 | 0 | 0 | 110.4 | | |
| 1174 | Q | 32.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 168 Ų | 168 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | -145.4 | 106.3 | 174.3 | -80.7 | -66.5 | -7.1 | 0 | 0 | 108.6 | | |
| 1175 | Y | 31.9 | Very low | 34.6 | Very low | 206 Ų | 206 | 165.5 Ų | 165.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | 154.7 | 143.8 | 158.2 | -102.6 | -74.6 | 0 | 0 | 0 | 109.7 | | |
| 1176 | Y | 36.2 | Very low | 34.4 | Very low | 219 Ų | 219 | 165.6 Ų | 165.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 71.4 | 71.5 | -160 | -60.3 | -78.9 | 0 | 0 | 0 | 111.1 | | |
| 1177 | N | 33.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 164.1 Ų | 164.1 | 56% | 0.556 | 80% | 0.795 | S | S | * | * | | | | 73.1 | 114.1 | 74 | -55.6 | 16 | 0 | 0 | 0 | 110.5 | | |
| 1178 | N | 31 | Very low | 34.5 | Very low | 142 Ų | 142 | 159.8 Ų | 159.8 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | cis | 77.2 | 155 | 49 | -71.7 | 4.3 | 0 | 0 | 0 | 115.1 | | |
| 1179 | E | 38.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | 73.1 | 120.1 | -178 | -61.5 | 99 | -112.7 | 0 | 0 | 115.6 | | |
| 1180 | E | 38.4 | Very low | 34.3 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | cis | -142.8 | -179.5 | -12.5 | -81 | -166.3 | 112.5 | 0 | 0 | 110.2 | | |
| 1181 | N | 32.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | | -157 | 94.5 | -127.5 | -174.3 | 105 | 0 | 0 | 0 | 116.3 | | |
| 1182 | E | 35.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -153.5 | 146.4 | 172.7 | -80.4 | -163.1 | 145.7 | 0 | 0 | 110.3 | | |
| 1183 | L | 32.5 | Very low | 33.6 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | cis | -166.7 | 167.2 | -18 | -146 | 62.6 | 0 | 0 | 0 | 104.7 | | |
| 1184 | I | 34.6 | Very low | 33.5 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | | | cis | -140.1 | 122.6 | 17 | -63.5 | 170.7 | 0 | 0 | 0 | 105.8 | | |
| 1185 | T | 29.7 | Very low | 33.8 | Very low | 101 Ų | 101 | 152.7 Ų | 152.7 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | | | | 73.2 | 136.5 | 83.6 | -35.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1186 | L | 31.8 | Very low | 33.9 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | 73.7 | 149 | -174.8 | -49.1 | -177 | 0 | 0 | 0 | 113.8 | | |
| 1187 | H | 35.6 | Very low | 33.9 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | cis | -133.4 | -168.3 | -6.8 | -149.5 | -92.8 | 0 | 0 | 0 | 109.9 | | |
| 1188 | S | 30.9 | Very low | 34 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | trans | -145.5 | 168.4 | 164.7 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1189 | D | 39.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | 164 | 101.8 | 142.4 | -78.4 | -18 | 0 | 0 | 0 | 106.2 | | |
| 1190 | D | 36.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 60% | 0.604 | 74% | 0.743 | S | S | * | * | | | | 54.3 | 139.4 | 77.4 | -83.2 | 5.3 | 0 | 0 | 0 | 115.4 | | |
| 1191 | R | 30.2 | Very low | 33.4 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | | | cis | 179.5 | 140.2 | -33.4 | -120 | -167.6 | -67.4 | 159.8 | 8.1 | 106.9 | | |
| 1192 | F | 29.2 | Very low | 33.3 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | 68.6 | 142.6 | 148.9 | -81.5 | -135 | 0 | 0 | 0 | 119.2 | | |
| 1193 | I | 30.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | cis | -124.3 | -100.9 | -20.4 | -36 | 171.3 | 0 | 0 | 0 | 110.5 | | |
| 1194 | Q | 33.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | cis | -160.1 | 106.6 | -16.1 | -162.3 | 167.2 | 16.6 | 0 | 0 | 114.8 | | |
| 1195 | K | 37.5 | Very low | 32.6 | Very low | 170 Ų | 170 | 143 Ų | 143 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | | | trans | 61.3 | 166.9 | 162.7 | -67.4 | -178.1 | 154.5 | -81.1 | 0 | 117.3 | | |
| 1196 | D | 34.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | cis | -162 | 144.4 | -33.1 | -94.2 | -15.8 | 0 | 0 | 0 | 108.1 | | |
| 1197 | G | 35.6 | Very low | 32.5 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | | | trans | 106 | 129.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1198 | K | 36.5 | Very low | 32.4 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | 64.8 | 102.6 | 146.1 | -65.9 | -171.4 | 173 | -177 | 0 | 121.9 | | |
| 1199 | D | 31.4 | Very low | 32.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | 50.9 | 128.1 | 106 | -43.7 | -25.7 | 0 | 0 | 0 | 121.6 | | |
| 1200 | N | 30.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | 80.6 | 154 | 157.5 | -61.1 | -41.2 | 0 | 0 | 0 | 119.8 | | |
| 1201 | L | 33.3 | Very low | 32 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | trans | 80.3 | 98.4 | 168.5 | -51.3 | -173.4 | 0 | 0 | 0 | 118.7 | | |
| 1202 | L | 30.9 | Very low | 32.3 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | | 67 | 108 | 127 | -66.6 | 163.6 | 0 | 0 | 0 | 120.2 | | |
| 1203 | N | 27.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | | 34.4 | 130.2 | 118.1 | -65 | 4.7 | 0 | 0 | 0 | 120.6 | | |
| 1204 | N | 26.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | 104.5 | 146.5 | 150.4 | -55.5 | -26.3 | 0 | 0 | 0 | 117.3 | | |
| 1205 | F | 33.6 | Very low | 32.6 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | | | trans | 70.1 | 139.5 | 167.4 | -54.1 | -71.3 | 0 | 0 | 0 | 118.3 | | |
| 1206 | N | 29.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | cis | -162.6 | 173.6 | -34.4 | -128.7 | 27.3 | 0 | 0 | 0 | 111.3 | | |
| 1207 | E | 30.6 | Very low | 32.2 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -18.4 | 147.9 | 148.2 | -146.3 | 62.5 | -139.8 | 0 | 0 | 118.4 | | |
| 1208 | T | 31.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | 66.9 | 109.4 | 156.5 | 36.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1209 | D | 33.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | -163.9 | 145 | 134.3 | -108.7 | -24.8 | 0 | 0 | 0 | 109.1 | | |
| 1210 | R | 30.3 | Very low | 32.4 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | cis | -165.4 | 126.3 | -2.6 | -161.4 | 174.1 | -82.5 | 177.1 | -2.3 | 109.6 | | |
| 1211 | K | 35.9 | Very low | 32.7 | Very low | 206 Ų | 206 | 153.1 Ų | 153.1 | 90% | 0.896 | 73% | 0.734 | S | S | * | * | | | trans | 163.4 | 142.4 | 156.9 | -93.6 | 151.3 | -172.1 | 174.6 | 0 | 111.5 | | |
| 1212 | V | 34.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | | | cis | -165.3 | 147.6 | -23.9 | 107.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1213 | N | 32.9 | Very low | 33.2 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | trans | 68.2 | 149.8 | 177.6 | -61.6 | -22.4 | 0 | 0 | 0 | 116.1 | | |
| 1214 | N | 32.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | | | cis | -155.8 | 152.5 | 7.6 | -127.5 | -21.1 | 0 | 0 | 0 | 113.7 | | |
| 1215 | L | 34.8 | Very low | 34.3 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | | | trans | 56.3 | 121.3 | 164.1 | -84.6 | 53.3 | 0 | 0 | 0 | 119.3 | | |
| 1216 | R | 29.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | | | | 76.7 | 112.7 | 54.7 | -178.5 | -172.2 | -80.5 | 176.6 | -6.8 | 112.8 | | |
| 1217 | R | 33.6 | Very low | 35.3 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | | | | -171.7 | 166.2 | 67.5 | -146.8 | 172.5 | -58.6 | -140.5 | 5.9 | 114.2 | | |
| 1218 | H | 34.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | | | trans | -47.5 | 167.8 | 167.7 | -49.6 | -106.7 | 0 | 0 | 0 | 115.1 | | |
| 1219 | H | 35.9 | Very low | 36.8 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | | | cis | -170.3 | 154.8 | 41 | -130.4 | -77.9 | 0 | 0 | 0 | 113.4 | | |
| 1220 | H | 37.8 | Very low | 37.4 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | | | trans | 65.8 | 153.8 | 154.6 | -75.7 | -32.2 | 0 | 0 | 0 | 120.4 | | |
| 1221 | K | 37 | Very low | 38.3 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | | | cis | -168.1 | 172.5 | -24.6 | -158.3 | 178.8 | 167.5 | -92.7 | 0 | 109.4 | | |
| 1222 | D | 37.3 | Very low | 38.9 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | | | trans | 91.1 | 113.2 | 159.8 | -56.9 | -47.4 | 0 | 0 | 0 | 117 | | |
| 1223 | T | 37.9 | Very low | 39.5 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | | | | 59.2 | 124.6 | 73.1 | -16.7 | 0 | 0 | 0 | 0 | 111 | | |
| 1224 | I | 37.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | | | cis | -152.2 | 132.5 | 46.8 | -70.2 | 165.6 | 0 | 0 | 0 | 106.9 | | |
| 1225 | A | 38.4 | Very low | 40.7 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | | | | 55.1 | 152.2 | 93.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1226 | A | 42 | Very low | 41.2 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 57% | 0.57 | 70% | 0.702 | S | S | * | * | | | cis | -163.1 | -177.6 | 11.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1227 | D | 43.3 | Very low | 42 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | | | trans | 64.7 | 143.3 | 147.3 | -51.9 | -9.7 | 0 | 0 | 0 | 119.1 | | |
| 1228 | D | 46.6 | Very low | 42.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | | | cis | -157.9 | 159.5 | -7.7 | -87.3 | -21.3 | 0 | 0 | 0 | 108.7 | | |
| 1229 | D | 46.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | | | trans | 33 | 150.7 | 131 | -48.2 | -4 | 0 | 0 | 0 | 121.5 | | |
| 1230 | D | 47.3 | Very low | 43.1 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | | | cis | -167.1 | 162.2 | -10.1 | -103 | -15.8 | 0 | 0 | 0 | 109.8 | | |
| 1231 | D | 48.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | | | trans | 51.7 | 142.4 | 140.2 | -63.6 | -10.5 | 0 | 0 | 0 | 126.3 | | |
| 1232 | D | 47.8 | Very low | 43.4 | Very low | 127 Ų | 127 | 123 Ų | 123 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | | | trans | 74.2 | 121.3 | 136.7 | -64.1 | -2.1 | 0 | 0 | 0 | 125.3 | | |
| 1233 | D | 47.4 | Very low | 43.8 | Very low | 130 Ų | 130 | 125 Ų | 125 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | | | | 74.8 | 122 | 124.9 | -64.5 | -6.4 | 0 | 0 | 0 | 124.8 | | |
| 1234 | D | 45.9 | Very low | 44 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | | | | 72.3 | 168.2 | 129.9 | -76.3 | -15.6 | 0 | 0 | 0 | 123.4 | | |
| 1235 | D | 46.3 | Very low | 44.1 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | | | trans | 65.6 | 89.9 | 164.6 | -72.1 | -12.3 | 0 | 0 | 0 | 120.6 | | |
| 1236 | D | 45.1 | Very low | 43.9 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | | | | 55.6 | 144.5 | 102.1 | -141.9 | 26.4 | 0 | 0 | 0 | 120.5 | | |
| 1237 | N | 45 | Very low | 43.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 65% | 0.647 | 72% | 0.715 | S | S | * | * | | | trans | 68.3 | 150.4 | 162.3 | -61.6 | -56.1 | 0 | 0 | 0 | 117.9 | | |
| 1238 | H | 42.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 68% | 0.676 | 72% | 0.716 | S | S | * | * | | | cis | -164.5 | -177.7 | -10.6 | -138.3 | -68.2 | 0 | 0 | 0 | 108.4 | | |
| 1239 | I | 43.5 | Very low | 42.2 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | 78.3 | 111.2 | 150.3 | -75.3 | 157.3 | 0 | 0 | 0 | 114.7 | | |
| 1240 | N | 42 | Very low | 41.3 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | | | | 68.1 | 143.1 | 66.3 | -63.4 | 55 | 0 | 0 | 0 | 112 | | |
| 1241 | D | 39.7 | Very low | 40.4 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | cis | -163.8 | 170.2 | -7.4 | -108.5 | -30.2 | 0 | 0 | 0 | 109.9 | | |
| 1242 | G | 41.7 | Very low | 39.4 | Very low | 58 Ų | 58 | 130.7 Ų | 130.7 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | | | trans | 92.8 | 160.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1243 | D | 44 | Very low | 38.4 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | cis | -165.5 | 179.8 | -10.1 | -107.4 | -34.7 | 0 | 0 | 0 | 110.8 | | |
| 1244 | D | 41.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | trans | 69.9 | 80.4 | 157.7 | -66.4 | -25.2 | 0 | 0 | 0 | 121.5 | | |
| 1245 | D | 40.4 | Very low | 36.3 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | | 46.3 | 139.8 | 103.9 | -128 | 17.3 | 0 | 0 | 0 | 123.8 | | |
| 1246 | N | 34.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | 64.9 | 150.1 | 160.2 | -68.8 | -67.8 | 0 | 0 | 0 | 119.4 | | |
| 1247 | C | 32 | Very low | 34.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | cis | -158.3 | 175.8 | 32.6 | -164.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1248 | S | 30 | Very low | 33.4 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -110.2 | 146.7 | -170.8 | 63 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1249 | G | 34.5 | Very low | 32.7 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | trans | 178.4 | 116.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1250 | I | 28.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | | 91.3 | 98.1 | 56.1 | -67.5 | 173.4 | 0 | 0 | 0 | 113.7 | | |
| 1251 | Q | 27.2 | Very low | 31.8 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | 72.6 | 159.5 | 145.9 | -67.1 | 176.6 | 8.1 | 0 | 0 | 122.3 | | |
| 1252 | H | 28.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | trans | 63.1 | 114.6 | -175.5 | -68.6 | -79.2 | 0 | 0 | 0 | 115.3 | | |
| 1253 | E | 25.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | | 80.5 | 129.3 | 63 | -78.8 | -166.2 | 145.4 | 0 | 0 | 114 | | |
| 1254 | N | 24.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | 67.7 | 104.1 | 160.1 | -62.1 | -47.7 | 0 | 0 | 0 | 119.4 | | |
| 1255 | I | 24.4 | Very low | 30.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | 82.2 | 153.3 | 137.3 | -56.6 | 164.2 | 0 | 0 | 0 | 116.9 | | |
| 1256 | E | 26.6 | Very low | 29.6 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | 86.7 | 155.2 | 165.2 | -114.3 | 169.1 | 156.8 | 0 | 0 | 119.5 | | |
| 1257 | L | 25.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | trans | -119.3 | 168.6 | -161.1 | -64.7 | 160.6 | 0 | 0 | 0 | 110.7 | | |
| 1258 | R | 24.9 | Very low | 29.7 | Very low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | | 131.3 | 104.3 | 126 | -163.8 | 177.6 | -178.6 | 88.4 | 8.6 | 118 | | |
| 1259 | C | 27.6 | Very low | 30 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | trans | 61.3 | 139.9 | 136.9 | -55.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1260 | K | 31.1 | Very low | 29.8 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -147.2 | 159.2 | 133.2 | -78.2 | 114.8 | 179.7 | -172.4 | 0 | 108.2 | | |
| 1261 | S | 34.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | cis | -165.8 | 121.4 | -27.9 | -90.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1262 | N | 31.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | 68.4 | 157.8 | 149.4 | -79.6 | 6.4 | 0 | 0 | 0 | 122.2 | | |
| 1263 | P | 41.9 | Very low | 30.4 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | cis | -130 | 158.3 | -8.2 | 35.6 | -18.7 | 0 | 0 | 0 | 117 | | |
| 1264 | S | 26.5 | Very low | 31 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 68.9 | 144 | 154.9 | -59.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1265 | V | 32.4 | Very low | 31.4 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | cis | -132.2 | 156.7 | 7.6 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1266 | E | 30.2 | Very low | 31.8 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -30.8 | 161.9 | 164.4 | -66.6 | -161.1 | 99.8 | 0 | 0 | 119.9 | | |
| 1267 | V | 36 | Very low | 31.9 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | | | cis | -166.8 | 148.3 | 5.2 | 115.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1268 | N | 31.5 | Very low | 32.2 | Very low | 117 Ų | 117 | 142 Ų | 142 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | trans | 17.1 | 157.8 | 150 | -62.9 | -58.9 | 0 | 0 | 0 | 123.7 | | |
| 1269 | K | 35.8 | Very low | 32.2 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | | | cis | -166.4 | 153.8 | 4.6 | -118.2 | 157.9 | -165.2 | 159.4 | 0 | 112.7 | | |
| 1270 | R | 30.4 | Very low | 32.4 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | 14.7 | 156.3 | 133.1 | -60.9 | -176.3 | -179.3 | 160 | 1.4 | 120.5 | | |
| 1271 | E | 31.3 | Very low | 32.2 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | cis | -169.2 | 178.1 | 41 | -151.3 | 174.2 | 119.2 | 0 | 0 | 115.5 | | |
| 1272 | L | 35.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 100.8 | 153 | 152.7 | -73 | 164.8 | 0 | 0 | 0 | 121.4 | | |
| 1273 | I | 30 | Very low | 32 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | -149.3 | 146.7 | -150.6 | -64.4 | 166.6 | 0 | 0 | 0 | 111 | | |
| 1274 | G | 37 | Very low | 31.3 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | | | trans | 167.8 | 106.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1275 | T | 33.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | | 70.2 | 115.6 | 70.7 | 65.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1276 | N | 34.4 | Very low | 31.1 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | 171.2 | 159.9 | 110.7 | -89.4 | -62.2 | 0 | 0 | 0 | 114.4 | | |
| 1277 | N | 28.6 | Very low | 31.1 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -96.4 | 173.2 | -178.4 | -60.5 | -63.4 | 0 | 0 | 0 | 112.9 | | |
| 1278 | T | 30.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | | 168.9 | 110.9 | 115.8 | -68.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1279 | I | 26.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | 26.7 | 123 | 133.5 | -49.2 | 167.6 | 0 | 0 | 0 | 119.8 | | |
| 1280 | S | 30.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | | -171.7 | 142 | 122.8 | -87.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1281 | N | 28.5 | Very low | 29.9 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -42.4 | 142.2 | 168.1 | -83.3 | -41.4 | 0 | 0 | 0 | 116 | | |
| 1282 | N | 33.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | | -170.2 | 153.6 | 87.8 | -102.1 | -59.2 | 0 | 0 | 0 | 115.1 | | |
| 1283 | N | 27.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -75.2 | 134.9 | 174.2 | -59.6 | -77.8 | 0 | 0 | 0 | 111.1 | | |
| 1284 | N | 27.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 148 Ų | 148 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 174.8 | 152.1 | 110.7 | -100.6 | -74.7 | 0 | 0 | 0 | 115 | | |
| 1285 | R | 26.1 | Very low | 29.8 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | 76.1 | 128.2 | 146.4 | -86.5 | -176.4 | 176.7 | -169.7 | -1.7 | 122.4 | | |
| 1286 | I | 28.3 | Very low | 30.1 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | | | trans | 87.2 | 86.4 | 146.1 | -58.9 | 159.5 | 0 | 0 | 0 | 117 | | |
| 1287 | Q | 29.7 | Very low | 30.5 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | | 52.3 | 78.2 | 129.5 | -61.6 | 178.5 | -0.1 | 0 | 0 | 117.9 | | |
| 1288 | Q | 25.2 | Very low | 31.4 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | trans | -88.8 | 117.3 | 144.5 | -68.7 | 179.5 | -5.2 | 0 | 0 | 109.6 | | |
| 1289 | T | 29.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | | | trans | -144.7 | 104.4 | 152.8 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | F1291 | T1289-F1291 PolarHBondContact O-N 2.85Š|
| 1290 | N | 29.3 | Very low | 33.8 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 90% | 0.904 | 70% | 0.695 | S | S | * | * | | | trans | -68.2 | 111.2 | 172.5 | -76.7 | -31.6 | 0 | 0 | 0 | 109.2 | K1292 | N1290-K1292 PolarHBondContact O-N 2.85Š|
| 1291 | F | 25.9 | Very low | 34.9 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 68% | 0.683 | S | S | * | * | | | trans | -73.4 | 95.2 | 173.1 | -86.2 | -92.9 | 0 | 0 | 0 | 110 | T1289 | T1289-F1291 PolarHBondContact O-N 2.85Š|
| 1292 | K | 31.6 | Very low | 36.9 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | | | trans | -108 | 136.3 | 171.7 | -159.7 | 176.6 | 177.3 | -133.6 | 0 | 109.5 | N1290 E1294 | N1290-K1292 PolarHBondContact O-N 2.85Å; K1292-E1294 WeakPolarHBondContact CD-OE1 3.25Å; K1292-E1294 VanDerWaalsContact CE-OE1 3.29Å; K1292-E1294 WeakPolarHBondContact CE-OE1 3.3Å; K1292-E1294 IonicContact NZ-OE1 2.66Å; K1292-E1294 PolarHBondContact NZ-OE1 2.89Å; K1292-E1294 PolarHBondContact O-N 3.3Å |
| 1293 | F | 26.9 | Very low | 38 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 75% | 0.746 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -79.6 | 77 | -169.9 | -113.8 | -103.4 | 0 | 0 | 0 | 111.9 | E1296 | F1293-E1296 HydrophobicContact CD1-CG 4.11Å; F1293-E1296 HydrophobicContact CE1-CG 4.07Å |
| 1294 | E | 35.5 | Very low | 39.6 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | | | trans | -123.3 | 17.8 | -178.1 | -69.1 | 174 | -174.8 | 0 | 0 | 112.6 | K1292 | K1292-E1294 WeakPolarHBondContact CD-OE1 3.25Å; K1292-E1294 VanDerWaalsContact CE-OE1 3.29Å; K1292-E1294 WeakPolarHBondContact CE-OE1 3.3Å; K1292-E1294 IonicContact NZ-OE1 2.66Å; K1292-E1294 PolarHBondContact NZ-OE1 2.89Å; K1292-E1294 PolarHBondContact O-N 3.3Å |
| 1295 | N | 37.5 | Very low | 41.3 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -123.7 | 12.9 | -172.6 | -134.4 | -4.6 | 0 | 0 | 0 | 114 | S1298 N1299 | N1295-S1298 PolarHBondContact O-OG 3.05Å; N1295-S1298 PolarHBondContact OD1-OG 3.19Å; N1295-N1299 PolarHBondContact O-ND2 3.26Å |
| 1296 | E | 39.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -84.8 | -39.6 | 171.1 | -67.5 | -161 | 135 | 0 | 0 | 111.6 | F1293 S1298 N1299 I1300 | F1293-E1296 HydrophobicContact CD1-CG 4.11Å; F1293-E1296 HydrophobicContact CE1-CG 4.07Å; E1296-S1298 VanDerWaalsContact C-N 3.32Å; E1296-S1298 PolarHBondContact O-N 3.08Å; E1296-N1299 CarbonylContact O-C 3.57Å; E1296-N1299 PolarHBondContact O-N 2.98Å; E1296-N1299 VanDerWaalsContact O-N 3.13Å; E1296-I1300 HydrophobicContact CB-CD1 4.45Å; E1296-I1300 WeakPolarHBondContact O-CB 3.32Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.4Å; E1296-I1300 PolarHBondContact O-N 3.45Å |
| 1297 | D | 43.4 | Very low | 44.9 | Very low | 105 Ų | 105 | 114 Ų | 114 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.3 | -38.1 | 177 | -92.5 | -39.2 | 0 | 0 | 0 | 113.6 | K1301 | D1297-K1301 VanDerWaalsContact O-CB 3.28Å; D1297-K1301 WeakPolarHBondContact O-CB 3.33Å; D1297-K1301 VanDerWaalsContact O-CD 3.31Å; D1297-K1301 WeakPolarHBondContact O-CD 3.37Å; D1297-K1301 WeakPolarHBondContact O-CG 3.3Å; D1297-K1301 PolarHBondContact O-N 2.88Å |
| 1298 | S | 47.1 | Very low | 46.5 | Very low | 43 Ų | 43 | 109.4 Ų | 109.4 | 30% | 0.301 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -43.8 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | N1295 E1296 T1302 | N1295-S1298 PolarHBondContact O-OG 3.05Å; N1295-S1298 PolarHBondContact OD1-OG 3.19Å; E1296-S1298 VanDerWaalsContact C-N 3.32Å; E1296-S1298 PolarHBondContact O-N 3.08Å; S1298-T1302 VanDerWaalsContact O-CB 3.29Å; S1298-T1302 WeakPolarHBondContact O-CB 3.21Å; S1298-T1302 PolarHBondContact O-N 2.89Å; S1298-T1302 PolarHBondContact O-OG1 3.36Å |
| 1299 | N | 50 | Low | 48.6 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -38.5 | 176.9 | -79.5 | -52.4 | 0 | 0 | 0 | 112.6 | N1295 E1296 T1302 A1303 | N1295-N1299 PolarHBondContact O-ND2 3.26Å; E1296-N1299 CarbonylContact O-C 3.57Å; E1296-N1299 PolarHBondContact O-N 2.98Å; E1296-N1299 VanDerWaalsContact O-N 3.13Å; N1299-T1302 PolarHBondContact O-N 3.42Å; N1299-A1303 VanDerWaalsContact O-CB 3.24Å; N1299-A1303 WeakPolarHBondContact O-CB 3.24Å; N1299-A1303 PolarHBondContact O-N 2.88Å |
| 1300 | I | 56.4 | Low | 50.6 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 176.1 | -68.9 | 164.6 | 0 | 0 | 0 | 110.5 | E1296 T1302 A1303 A1304 | E1296-I1300 HydrophobicContact CB-CD1 4.45Å; E1296-I1300 WeakPolarHBondContact O-CB 3.32Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.4Å; E1296-I1300 PolarHBondContact O-N 3.45Å; I1300-T1302 VanDerWaalsContact C-N 3.35Å; I1300-T1302 PolarHBondContact O-N 3.45Å; I1300-A1303 PolarHBondContact O-N 3.5Å; I1300-A1304 WeakPolarHBondContact O-CB 3.29Å; I1300-A1304 PolarHBondContact O-N 2.85Å |
| 1301 | K | 53.4 | Low | 52.5 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 173.8 | -71.9 | 162.7 | -170.1 | 162.2 | 0 | 111.3 | D1297 A1304 Q1305 | D1297-K1301 VanDerWaalsContact O-CB 3.28Å; D1297-K1301 WeakPolarHBondContact O-CB 3.33Å; D1297-K1301 VanDerWaalsContact O-CD 3.31Å; D1297-K1301 WeakPolarHBondContact O-CD 3.37Å; D1297-K1301 WeakPolarHBondContact O-CG 3.3Å; D1297-K1301 PolarHBondContact O-N 2.88Å; K1301-A1304 PolarHBondContact O-N 2.92Å; K1301-Q1305 WeakPolarHBondContact O-CB 3.34Å; K1301-Q1305 PolarHBondContact O-N 3.39Å |
| 1302 | T | 70.1 | Confident | 54.5 | Low | 76 Ų | 76 | 100.2 Ų | 100.2 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | S1298 N1299 I1300 Q1305 V1306 | S1298-T1302 VanDerWaalsContact O-CB 3.29Å; S1298-T1302 WeakPolarHBondContact O-CB 3.21Å; S1298-T1302 PolarHBondContact O-N 2.89Å; S1298-T1302 PolarHBondContact O-OG1 3.36Å; N1299-T1302 PolarHBondContact O-N 3.42Å; I1300-T1302 VanDerWaalsContact C-N 3.35Å; I1300-T1302 PolarHBondContact O-N 3.45Å; T1302-Q1305 PolarHBondContact O-N 2.84Å; T1302-V1306 HydrophobicContact CG2-CG2 4.46Å; T1302-V1306 WeakPolarHBondContact O-CB 3.29Å; T1302-V1306 VanDerWaalsContact O-CG2 3.32Å; T1302-V1306 WeakPolarHBondContact O-CG2 3.48Å; T1302-V1306 PolarHBondContact O-N 3.45Å |
| 1303 | A | 58.4 | Low | 56 | Low | 41 Ų | 41 | 95.3 Ų | 95.3 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1299 I1300 V1306 A1307 | N1299-A1303 VanDerWaalsContact O-CB 3.24Å; N1299-A1303 WeakPolarHBondContact O-CB 3.24Å; N1299-A1303 PolarHBondContact O-N 2.88Å; I1300-A1303 PolarHBondContact O-N 3.5Å; A1303-V1306 PolarHBondContact O-N 3.41Å; A1303-A1307 WeakPolarHBondContact O-CB 3.45Å; A1303-A1307 PolarHBondContact O-N 2.97Å |
| 1304 | A | 59.1 | Low | 57.6 | Low | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1300 K1301 A1307 C1308 | I1300-A1304 WeakPolarHBondContact O-CB 3.29Å; I1300-A1304 PolarHBondContact O-N 2.85Å; K1301-A1304 PolarHBondContact O-N 2.92Å; A1304-A1307 PolarHBondContact O-N 2.81Å; A1304-C1308 VanDerWaalsContact O-CB 3.29Å; A1304-C1308 WeakPolarHBondContact O-CB 3.45Å; A1304-C1308 PolarHBondContact O-N 2.86Å |
| 1305 | Q | 64 | Low | 58.8 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 174.7 | -177.9 | 175.5 | -12 | 0 | 0 | 111.6 | K1301 T1302 C1308 Q1309 | K1301-Q1305 WeakPolarHBondContact O-CB 3.34Å; K1301-Q1305 PolarHBondContact O-N 3.39Å; T1302-Q1305 PolarHBondContact O-N 2.84Å; Q1305-C1308 PolarHBondContact O-N 3.31Å; Q1305-Q1309 VanDerWaalsContact O-CB 3.31Å; Q1305-Q1309 WeakPolarHBondContact O-CB 3.29Å; Q1305-Q1309 PolarHBondContact O-N 2.88Å |
| 1306 | V | 67.1 | Low | 60.1 | Low | 63 Ų | 63 | 80.5 Ų | 80.5 | 38% | 0.382 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111.1 | T1302 A1303 Q1309 Q1310 | T1302-V1306 HydrophobicContact CG2-CG2 4.46Å; T1302-V1306 WeakPolarHBondContact O-CB 3.29Å; T1302-V1306 VanDerWaalsContact O-CG2 3.32Å; T1302-V1306 WeakPolarHBondContact O-CG2 3.48Å; T1302-V1306 PolarHBondContact O-N 3.45Å; A1303-V1306 PolarHBondContact O-N 3.41Å; V1306-Q1309 PolarHBondContact O-N 2.81Å; V1306-Q1310 HydrophobicContact CG1-CG 4.35Å; V1306-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1306-Q1310 VanDerWaalsContact O-CG 3.3Å; V1306-Q1310 WeakPolarHBondContact O-CG 3.46Å; V1306-Q1310 PolarHBondContact O-N 3.41Å |
| 1307 | A | 63.9 | Low | 61.1 | Low | 14 Ų | 14 | 76.2 Ų | 76.2 | 12% | 0.116 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A1303 A1304 Q1310 L1311 F1481 I1483 | A1303-A1307 WeakPolarHBondContact O-CB 3.45Å; A1303-A1307 PolarHBondContact O-N 2.97Å; A1304-A1307 PolarHBondContact O-N 2.81Å; A1307-Q1310 PolarHBondContact O-N 2.89Å; A1307-L1311 WeakPolarHBondContact O-CB 3.24Å; A1307-L1311 PolarHBondContact O-N 3.45Å; A1307-F1481 HydrophobicContact CB-CE1 4.23Å; A1307-F1481 HydrophobicContact CB-CZ 4.17Å; A1307-I1483 HydrophobicContact CB-CD1 3.61Å |
| 1308 | C | 62.7 | Low | 61.7 | Low | 85 Ų | 85 | 73.7 Ų | 73.7 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 175.7 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | A1304 Q1305 L1311 W1312 | A1304-C1308 VanDerWaalsContact O-CB 3.29Å; A1304-C1308 WeakPolarHBondContact O-CB 3.45Å; A1304-C1308 PolarHBondContact O-N 2.86Å; Q1305-C1308 PolarHBondContact O-N 3.31Å; C1308-L1311 PolarHBondContact O-N 2.81Å; C1308-W1312 WeakPolarHBondContact O-CB 3.48Å; C1308-W1312 PolarHBondContact O-N 3.33Å |
| 1309 | Q | 69.6 | Low | 62.1 | Low | 124 Ų | 124 | 74.5 Ų | 74.5 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69 | -36.2 | 178.1 | -169 | 166 | 76.5 | 0 | 0 | 112.5 | Q1305 V1306 A1313 | Q1305-Q1309 VanDerWaalsContact O-CB 3.31Å; Q1305-Q1309 WeakPolarHBondContact O-CB 3.29Å; Q1305-Q1309 PolarHBondContact O-N 2.88Å; V1306-Q1309 PolarHBondContact O-N 2.81Å; Q1309-A1313 VanDerWaalsContact O-CB 3.29Å; Q1309-A1313 WeakPolarHBondContact O-CB 3.26Å; Q1309-A1313 PolarHBondContact O-N 3.44Å |
| 1310 | Q | 70.1 | Confident | 62.7 | Low | 94 Ų | 94 | 74.1 Ų | 74.1 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 170.2 | -75.7 | -179.9 | 14.9 | 0 | 0 | 111.9 | V1306 A1307 A1313 A1314 | V1306-Q1310 HydrophobicContact CG1-CG 4.35Å; V1306-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1306-Q1310 VanDerWaalsContact O-CG 3.3Å; V1306-Q1310 WeakPolarHBondContact O-CG 3.46Å; V1306-Q1310 PolarHBondContact O-N 3.41Å; A1307-Q1310 PolarHBondContact O-N 2.89Å; Q1310-A1313 PolarHBondContact O-N 3.43Å; Q1310-A1314 VanDerWaalsContact O-CB 3.3Å; Q1310-A1314 WeakPolarHBondContact O-CB 3.34Å; Q1310-A1314 PolarHBondContact O-N 2.87Å |
| 1311 | L | 69.1 | Low | 61.8 | Low | 64 Ų | 64 | 72.1 Ų | 72.1 | 34% | 0.335 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.2 | -170.5 | 71.4 | 0 | 0 | 0 | 111.2 | A1307 C1308 A1314 A1315 V1500 | A1307-L1311 WeakPolarHBondContact O-CB 3.24Å; A1307-L1311 PolarHBondContact O-N 3.45Å; C1308-L1311 PolarHBondContact O-N 2.81Å; L1311-A1314 PolarHBondContact O-N 3.43Å; L1311-A1315 WeakPolarHBondContact O-CB 3.36Å; L1311-A1315 PolarHBondContact O-N 3.45Å; L1311-V1500 HydrophobicContact CD1-CG1 4.35Å; L1311-V1500 HydrophobicContact CD1-CG2 3.96Å |
| 1312 | W | 68.1 | Low | 61.1 | Low | 193 Ų | 193 | 71.3 Ų | 71.3 | 73% | 0.731 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 174.7 | -174.5 | 63.7 | 0 | 0 | 0 | 112 | C1308 A1314 A1315 A1316 | C1308-W1312 WeakPolarHBondContact O-CB 3.48Å; C1308-W1312 PolarHBondContact O-N 3.33Å; W1312-A1314 PolarHBondContact O-N 2.92Å; W1312-A1315 PolarHBondContact O-N 3.31Å; W1312-A1316 VanDerWaalsContact O-CB 3.3Å; W1312-A1316 WeakPolarHBondContact O-CB 3.04Å; W1312-A1316 PolarHBondContact O-N 2.81Å |
| 1313 | A | 64.5 | Low | 59.6 | Low | 56 Ų | 56 | 76.5 Ų | 76.5 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1309 Q1310 A1316 A1317 | Q1309-A1313 VanDerWaalsContact O-CB 3.29Å; Q1309-A1313 WeakPolarHBondContact O-CB 3.26Å; Q1309-A1313 PolarHBondContact O-N 3.44Å; Q1310-A1313 PolarHBondContact O-N 3.43Å; A1313-A1316 PolarHBondContact O-N 3.44Å; A1313-A1317 WeakPolarHBondContact O-CB 3.04Å; A1313-A1317 PolarHBondContact O-N 2.97Å |
| 1314 | A | 60.4 | Low | 58.6 | Low | 23 Ų | 23 | 78.3 Ų | 78.3 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1310 L1311 W1312 A1317 A1318 T1485 | Q1310-A1314 VanDerWaalsContact O-CB 3.3Å; Q1310-A1314 WeakPolarHBondContact O-CB 3.34Å; Q1310-A1314 PolarHBondContact O-N 2.87Å; L1311-A1314 PolarHBondContact O-N 3.43Å; W1312-A1314 PolarHBondContact O-N 2.92Å; A1314-A1317 PolarHBondContact O-N 2.8Å; A1314-A1318 WeakPolarHBondContact O-CB 3.27Å; A1314-A1318 PolarHBondContact O-N 3.34Å; A1314-T1485 HydrophobicContact CB-CG2 4.05Å |
| 1315 | A | 60.9 | Low | 57.3 | Low | 36 Ų | 36 | 77.9 Ų | 77.9 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1311 W1312 A1318 A1319 | L1311-A1315 WeakPolarHBondContact O-CB 3.36Å; L1311-A1315 PolarHBondContact O-N 3.45Å; W1312-A1315 PolarHBondContact O-N 3.31Å; A1315-A1318 PolarHBondContact O-N 3.21Å; A1315-A1319 VanDerWaalsContact O-CB 3.25Å; A1315-A1319 WeakPolarHBondContact O-CB 3.1Å; A1315-A1319 PolarHBondContact O-N 3.5Å |
| 1316 | A | 63.5 | Low | 55.6 | Low | 51 Ų | 51 | 75.1 Ų | 75.1 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1312 A1313 A1319 A1320 | W1312-A1316 VanDerWaalsContact O-CB 3.3Å; W1312-A1316 WeakPolarHBondContact O-CB 3.04Å; W1312-A1316 PolarHBondContact O-N 2.81Å; A1313-A1316 PolarHBondContact O-N 3.44Å; A1316-A1319 PolarHBondContact O-N 2.83Å; A1316-A1320 VanDerWaalsContact O-CB 3.31Å; A1316-A1320 WeakPolarHBondContact O-CB 3.1Å; A1316-A1320 PolarHBondContact O-N 3.48Å |
| 1317 | A | 61.1 | Low | 53.9 | Low | 29 Ų | 29 | 79.4 Ų | 79.4 | 24% | 0.24 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1313 A1314 A1319 A1320 G1321 L1322 | A1313-A1317 WeakPolarHBondContact O-CB 3.04Å; A1313-A1317 PolarHBondContact O-N 2.97Å; A1314-A1317 PolarHBondContact O-N 2.8Å; A1317-A1319 VanDerWaalsContact C-N 3.34Å; A1317-A1319 PolarHBondContact O-N 3.36Å; A1317-A1320 PolarHBondContact O-N 3.48Å; A1317-G1321 PolarHBondContact O-N 2.84Å; A1317-L1322 PolarHBondContact O-N 3.48Å |
| 1318 | A | 57.2 | Low | 52.1 | Low | 52 Ų | 52 | 88.2 Ų | 88.2 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1314 A1315 G1321 I1498 | A1314-A1318 WeakPolarHBondContact O-CB 3.27Å; A1314-A1318 PolarHBondContact O-N 3.34Å; A1315-A1318 PolarHBondContact O-N 3.21Å; A1318-G1321 PolarHBondContact O-N 2.95Å; A1318-G1321 VanDerWaalsContact O-N 3.09Å; A1318-I1498 HydrophobicContact CB-CD1 4.15Å |
| 1319 | A | 54.1 | Low | 50.6 | Low | 59 Ų | 59 | 89.1 Ų | 89.1 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1315 A1316 A1317 G1321 L1517 | A1315-A1319 VanDerWaalsContact O-CB 3.25Å; A1315-A1319 WeakPolarHBondContact O-CB 3.1Å; A1315-A1319 PolarHBondContact O-N 3.5Å; A1316-A1319 PolarHBondContact O-N 2.83Å; A1317-A1319 VanDerWaalsContact C-N 3.34Å; A1317-A1319 PolarHBondContact O-N 3.36Å; A1319-G1321 PolarHBondContact O-N 2.87Å; A1319-L1517 HydrophobicContact CB-CD2 3.37Å |
| 1320 | A | 63 | Low | 48.8 | Very low | 68 Ų | 68 | 89 Ų | 89 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1316 A1317 L1322 | A1316-A1320 VanDerWaalsContact O-CB 3.31Å; A1316-A1320 WeakPolarHBondContact O-CB 3.1Å; A1316-A1320 PolarHBondContact O-N 3.48Å; A1317-A1320 PolarHBondContact O-N 3.48Å; A1320-L1322 HydrophobicContact CB-CD1 3.97Å; A1320-L1322 HydrophobicContact CB-CG 3.95Å; A1320-L1322 PolarHBondContact O-N 3.16Å |
| 1321 | G | 37.8 | Very low | 46.9 | Very low | 62 Ų | 62 | 92.9 Ų | 92.9 | 64% | 0.639 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 10.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1317 A1318 A1319 H1323 | A1317-G1321 PolarHBondContact O-N 2.84Å; A1318-G1321 PolarHBondContact O-N 2.95Å; A1318-G1321 VanDerWaalsContact O-N 3.09Å; A1319-G1321 PolarHBondContact O-N 2.87Å; G1321-H1323 PolarHBondContact O-N 2.87Å |
| 1322 | L | 39.2 | Very low | 45.1 | Very low | 117 Ų | 117 | 96.4 Ų | 96.4 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | | | trans | -76.4 | 108.7 | -179.4 | -69.2 | 173 | 0 | 0 | 0 | 109.2 | A1317 A1320 C1324 | A1317-L1322 PolarHBondContact O-N 3.48Å; A1320-L1322 HydrophobicContact CB-CD1 3.97Å; A1320-L1322 HydrophobicContact CB-CG 3.95Å; A1320-L1322 PolarHBondContact O-N 3.16Å; L1322-C1324 PolarHBondContact O-N 3.44Å |
| 1323 | H | 37.9 | Very low | 43.4 | Very low | 186 Ų | 186 | 94.5 Ų | 94.5 | 86% | 0.861 | 60% | 0.598 | S | S | * | * | | | trans | -58.3 | 105.1 | 171.6 | -113.2 | 77.6 | 0 | 0 | 0 | 109.8 | G1321 G1325 | G1321-H1323 PolarHBondContact O-N 2.87Å; H1323-G1325 PolarHBondContact O-N 3.35Å |
| 1324 | C | 37.2 | Very low | 41.8 | Very low | 79 Ų | 79 | 97.7 Ų | 97.7 | 53% | 0.534 | 61% | 0.607 | S | S | . | * | | | trans | -71.7 | 60 | 162.3 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | L1322 G1326 | L1322-C1324 PolarHBondContact O-N 3.44Å; C1324-G1326 PolarHBondContact O-N 3.08Å |
| 1325 | G | 31.7 | Very low | 40.2 | Very low | 51 Ų | 51 | 106.5 Ų | 106.5 | 53% | 0.526 | 64% | 0.637 | S | S | . | * | | | trans | -55.5 | 128.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1323 I1327 | H1323-G1325 PolarHBondContact O-N 3.35Å; G1325-I1327 PolarHBondContact O-N 3.3Å |
| 1326 | G | 29.5 | Very low | 38.7 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 74% | 0.742 | 66% | 0.662 | S | S | * | * | | | trans | -56.2 | 111.4 | -166 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1324 K1328 | C1324-G1326 PolarHBondContact O-N 3.08Å; G1326-K1328 PolarHBondContact O-N 2.74Å |
| 1327 | I | 29.6 | Very low | 37 | Very low | 152 Ų | 152 | 110.2 Ų | 110.2 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | | | trans | -69.6 | 96.6 | 173.1 | -57.2 | 179.1 | 0 | 0 | 0 | 107.8 | G1325 T1329 | G1325-I1327 PolarHBondContact O-N 3.3Å; I1327-T1329 VanDerWaalsContact C-N 3.28Å; I1327-T1329 HydrophobicContact CG2-CG2 4.18Å; I1327-T1329 PolarHBondContact O-N 2.93Å |
| 1328 | K | 27.6 | Very low | 35.6 | Very low | 200 Ų | 200 | 116.1 Ų | 116.1 | 87% | 0.87 | 69% | 0.694 | S | S | * | * | | | trans | -68.3 | 86.2 | 167.4 | -69.1 | -175.3 | 177.5 | -176.4 | 0 | 109.2 | G1326 | G1326-K1328 PolarHBondContact O-N 2.74Š|
| 1329 | T | 29.9 | Very low | 34.2 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 64% | 0.638 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.6 | 164.1 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | I1327 | I1327-T1329 VanDerWaalsContact C-N 3.28Å; I1327-T1329 HydrophobicContact CG2-CG2 4.18Å; I1327-T1329 PolarHBondContact O-N 2.93Å |
| 1330 | P | 31.5 | Very low | 33 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.9 | -172.7 | -20.9 | 32.8 | 0 | 0 | 0 | 113.2 | T1332 | P1330-T1332 PolarHBondContact O-N 3.08Š|
| 1331 | E | 30.7 | Very low | 31.4 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 120.7 | 165 | -66 | -176.8 | 155.5 | 0 | 0 | 110.2 | N1333 | E1331-N1333 VanDerWaalsContact C-N 3.34Å; E1331-N1333 PolarHBondContact O-N 3.12Å |
| 1332 | T | 31.1 | Very low | 31.1 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | | | trans | -80.1 | 76.4 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | P1330 | P1330-T1332 PolarHBondContact O-N 3.08Š|
| 1333 | N | 32.6 | Very low | 30.6 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -66.6 | 138.7 | 162.6 | -90.6 | -54.8 | 0 | 0 | 0 | 110 | E1331 | E1331-N1333 VanDerWaalsContact C-N 3.34Å; E1331-N1333 PolarHBondContact O-N 3.12Å |
| 1334 | N | 30.7 | Very low | 30.1 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | | | trans | -114.2 | 145.7 | -160.4 | -155 | -5.6 | 0 | 0 | 0 | 112.8 | | |
| 1335 | Y | 26.6 | Very low | 29.8 | Very low | 208 Ų | 208 | 124.5 Ų | 124.5 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | | | trans | 59.2 | 119.8 | 177 | -62.7 | -72.4 | 0 | 0 | 0 | 118.9 | | |
| 1336 | G | 31.1 | Very low | 29.4 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -167.5 | 78.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1337 | V | 27.8 | Very low | 29.3 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 52% | 0.515 | 76% | 0.757 | S | S | . | * | | | trans | -82.1 | 121.3 | -178.1 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1338 | L | 30.8 | Very low | 29 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -154.3 | 107.3 | 139.9 | -80.5 | -169 | 0 | 0 | 0 | 106.8 | | |
| 1339 | T | 28.6 | Very low | 29 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | | 55.7 | 132.3 | 94.5 | 64.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1340 | G | 29.1 | Very low | 28.7 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | 132.8 | 74.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1341 | N | 27.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | | 62.8 | 132.3 | 125.6 | -86.8 | 14.4 | 0 | 0 | 0 | 122.9 | | |
| 1342 | L | 31.7 | Very low | 28.4 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | | | trans | 79.6 | 102 | 139.9 | -61 | 163.5 | 0 | 0 | 0 | 119.1 | | |
| 1343 | N | 30.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | | 73.1 | 126.4 | 125.2 | -56.1 | -6.5 | 0 | 0 | 0 | 119.6 | | |
| 1344 | G | 26.5 | Very low | 28.4 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | | | trans | -65.5 | 166.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1345 | P | 30.5 | Very low | 28.5 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | | | | -125.3 | 169.7 | 75.2 | 42.9 | -35.1 | 0 | 0 | 0 | 111.5 | | |
| 1346 | L | 23.3 | Very low | 28.7 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | cis | 65.7 | 133.3 | 43.5 | -121.3 | 171.7 | 0 | 0 | 0 | 112.1 | | |
| 1347 | K | 27 | Very low | 28.4 | Very low | 184 Ų | 184 | 126 Ų | 126 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | | | trans | 72.4 | 126.8 | -179.6 | -56.8 | 172.2 | -176.7 | 176.8 | 0 | 113.4 | | |
| 1348 | S | 24.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | cis | 95.7 | 159.7 | 42.7 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1349 | Q | 26.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | | | trans | 79.1 | 106.1 | -179.2 | -52.2 | -163.8 | -88.6 | 0 | 0 | 112.8 | | |
| 1350 | Q | 25.3 | Very low | 28 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | | | | 87.7 | 150.5 | 89.6 | -79.8 | 170.6 | -102.3 | 0 | 0 | 110.4 | | |
| 1351 | V | 27.2 | Very low | 27.8 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 65% | 0.648 | 72% | 0.718 | S | S | * | * | | | cis | -147.6 | 129.3 | 45.8 | 163 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1352 | E | 28.7 | Very low | 27.7 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | trans | 48.9 | 157.5 | 148.7 | -63.7 | 152.7 | -153.1 | 0 | 0 | 120.6 | | |
| 1353 | S | 33.7 | Very low | 27.5 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | | | cis | -124.2 | 129.5 | -1.7 | -47.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1354 | S | 29.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | | 58.9 | 100.1 | 89.9 | -42.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1355 | N | 31.8 | Very low | 27.4 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | | 166.4 | 137.3 | 101 | -82.6 | -39.4 | 0 | 0 | 0 | 112 | | |
| 1356 | N | 30.2 | Very low | 27.3 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | | | trans | 65.9 | 143.6 | 140.8 | -66.7 | -5.7 | 0 | 0 | 0 | 118.9 | | |
| 1357 | I | 26.3 | Very low | 27.5 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | | | cis | -163.3 | 162.9 | -12.5 | -136.9 | 164.2 | 0 | 0 | 0 | 108.7 | | |
| 1358 | T | 26.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 63% | 0.632 | 69% | 0.687 | S | S | * | * | | | trans | 46.3 | 100.5 | 149.3 | -59.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1359 | T | 25.6 | Very low | 27.7 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | | | | 87.9 | 165.3 | 95 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1360 | T | 26.5 | Very low | 27.8 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | | | trans | 67.8 | 126.5 | 166.1 | 35.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1361 | T | 25.6 | Very low | 27.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | | | cis | 79.5 | 125.7 | 48.4 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1362 | N | 25.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | trans | 68.9 | 143.4 | 167.9 | -69 | -11.7 | 0 | 0 | 0 | 115.4 | | |
| 1363 | N | 25.9 | Very low | 28 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | | | | 63.2 | 145.2 | 51.3 | 173.6 | 32.6 | 0 | 0 | 0 | 111 | | |
| 1364 | S | 28.2 | Very low | 27.9 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | | | trans | 77.6 | 129.6 | 159.1 | -77.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1365 | N | 27.7 | Very low | 28 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | | | trans | 88.3 | 90.9 | 130.5 | -65.4 | -8 | 0 | 0 | 0 | 119.9 | | |
| 1366 | N | 27.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | | | | 96.2 | 156.1 | 102.7 | -71.9 | -20.9 | 0 | 0 | 0 | 118.5 | | |
| 1367 | N | 27.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | | | trans | 71 | 108.7 | 149.4 | -76 | -40.3 | 0 | 0 | 0 | 117.6 | | |
| 1368 | K | 27.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 70% | 0.704 | 71% | 0.708 | S | S | * | * | | | | 79.8 | 120.8 | 119.2 | -71.2 | 179.9 | -177.8 | -176.8 | 0 | 118.2 | | |
| 1369 | Q | 29.5 | Very low | 28.6 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | | | | 72.9 | 52.9 | 114.8 | -158.8 | 176.6 | 2.7 | 0 | 0 | 117 | | |
| 1370 | T | 26.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | | | trans | -126.8 | 99.8 | 147.4 | -38.1 | 0 | 0 | 0 | 0 | 104.6 | | |
| 1371 | Q | 26.9 | Very low | 29 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | | | | 41.9 | 106.9 | 89.7 | -61.7 | -168.6 | 85 | 0 | 0 | 109.5 | | |
| 1372 | Q | 27.3 | Very low | 29.2 | Very low | 164 Ų | 164 | 125 Ų | 125 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | | | cis | -137.1 | 150.1 | 44.1 | -73.1 | 179 | -13.4 | 0 | 0 | 111.2 | | |
| 1373 | L | 31.7 | Very low | 29.8 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | | | | 44.8 | 126.2 | 105.3 | -42.3 | 167.2 | 0 | 0 | 0 | 113.3 | | |
| 1374 | S | 32.6 | Very low | 30.1 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | | | cis | 177.7 | 163.1 | 2.1 | 43.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1375 | C | 30.2 | Very low | 30.3 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | | | trans | 65.9 | 155 | 163.2 | -61 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1376 | S | 38.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | | | cis | -153.9 | 138.9 | -26.5 | -76.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 1377 | K | 26.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | | | | 48.5 | 144.5 | 65.5 | -82.8 | -166.8 | 175.3 | -176 | 0 | 115.7 | | |
| 1378 | S | 31.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | | | trans | 71.6 | 118.9 | 179.9 | -46.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1379 | S | 30.5 | Very low | 31.5 | Very low | 58 Ų | 58 | 123.5 Ų | 123.5 | 41% | 0.406 | 69% | 0.688 | S | S | . | * | | | cis | 85.1 | 128.5 | 24.1 | 96.2 | 0 | 0 | 0 | 0 | 116.7 | Q92 Q93 | Q92-S1379 PolarHBondContact OE1-OG 2.94Å; Q93-S1379 VanDerWaalsContact CD-CB 3.45Å; Q93-S1379 PolarHBondContact NE2-OG 2.9Å |
| 1380 | S | 30.7 | Very low | 31.9 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | | | trans | -173.3 | 140.7 | 152.9 | -83.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1381 | Y | 30.6 | Very low | 32.3 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | | | cis | -113.9 | -112.1 | -4.9 | -146 | -124.5 | 0 | 0 | 0 | 112.2 | Q90 Q91 Q92 | Q90-Y1381 PolarHBondContact NE2-OH 2.86Å; Q91-Y1381 VanDerWaalsContact NE2-CE1 3.26Å; Q91-Y1381 PolarHBondContact NE2-OH 2.85Å; Q92-Y1381 PolarHBondContact NE2-O 3.25Å |
| 1382 | S | 30.6 | Very low | 32.4 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 52% | 0.517 | 69% | 0.692 | S | S | . | * | | | cis | -155.4 | -154.3 | -7.3 | -160.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1383 | S | 37.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | | | trans | 0 | 110.6 | 164.8 | -53.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1384 | N | 31.2 | Very low | 32.4 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 56% | 0.561 | 69% | 0.691 | S | S | * | * | | | trans | -159.7 | 161.4 | -169.1 | -117.1 | -126.1 | 0 | 0 | 0 | 110.6 | | |
| 1385 | K | 32.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 57% | 0.574 | 69% | 0.692 | S | S | * | * | | | cis | -127.2 | -101.7 | 3.5 | -167.3 | 172.4 | -168 | 176.7 | 0 | 111.9 | Q90 | Q90-K1385 WeakPolarHBondContact O-CD 3.32Å; Q90-K1385 PolarHBondContact O-NZ 2.88Å |
| 1386 | K | 32.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 58% | 0.578 | 69% | 0.691 | S | S | * | * | | | cis | -138.1 | 171.3 | -4.3 | -157.1 | -164.8 | 178.6 | -172.6 | 0 | 108.5 | N87 | N87-K1386 PolarHBondContact O-NZ 3.41Š|
| 1387 | T | 33.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | | | trans | 69.4 | 162.9 | -165.2 | 81.6 | 0 | 0 | 0 | 0 | 113 | | |
| 1388 | N | 37.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | | | cis | -113.8 | -143.2 | -23.4 | -159.6 | -12.7 | 0 | 0 | 0 | 110 | | |
| 1389 | S | 33.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | | | trans | -163.8 | 177.1 | -166.1 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1390 | R | 37.2 | Very low | 32.2 | Very low | 227 Ų | 227 | 125 Ų | 125 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | | | trans | 70.5 | 150.1 | -179.1 | -60.2 | -167.5 | 171.2 | -155.7 | -1.6 | 115.5 | | |
| 1391 | T | 35.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | | | cis | -155.1 | 139.8 | -24 | 15.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1392 | P | 28.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -87 | -164.5 | 158.3 | 38.6 | -34.6 | 0 | 0 | 0 | 111.1 | | |
| 1393 | S | 29.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | | | trans | -80.5 | 169.8 | -167.8 | 51.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1394 | H | 28.9 | Very low | 32.7 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | | | trans | 88.3 | 146.9 | 161.7 | -153.6 | -87.1 | 0 | 0 | 0 | 118.7 | | |
| 1395 | L | 27.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | | | trans | -54 | 139.4 | 176.5 | -65 | 52.2 | 0 | 0 | 0 | 110.8 | | |
| 1396 | D | 32.5 | Very low | 33.1 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | | -159.6 | 164.1 | 91.7 | -125.6 | -38.7 | 0 | 0 | 0 | 116.2 | | |
| 1397 | T | 34.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -96.3 | 133.3 | -164.5 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | N1399 | T1397-N1399 HydrophobicContact CG2-CB 3.64Š|
| 1398 | P | 31.7 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | | -130.9 | 132.7 | 95.2 | 36 | -26.9 | 0 | 0 | 0 | 112.4 | | |
| 1399 | N | 27.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | | 73.2 | 108.8 | 51.6 | -170.5 | 15.2 | 0 | 0 | 0 | 114 | T1397 | T1397-N1399 HydrophobicContact CG2-CB 3.64Š|
| 1400 | A | 32.9 | Very low | 33.3 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | | | trans | 59.5 | 136.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1401 | K | 34.3 | Very low | 33.2 | Very low | 189 Ų | 189 | 126.9 Ų | 126.9 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | cis | -140.2 | 152.3 | 28.2 | -73.9 | 178.9 | 178.4 | 174.6 | 0 | 109.3 | | |
| 1402 | I | 33.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 61% | 0.605 | 72% | 0.717 | S | S | * | * | | | | 64.1 | 131.4 | 53 | -56.2 | 165 | 0 | 0 | 0 | 110.3 | K1404 | I1402-K1404 HydrophobicContact CG2-CD 4.18Å; I1402-K1404 HydrophobicContact CG2-CG 4.17Å |
| 1403 | P | 36.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | | | cis | -87.6 | 156.8 | 5.8 | -1.1 | 23.3 | 0 | 0 | 0 | 113 | | |
| 1404 | K | 34.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 74% | 0.735 | 71% | 0.705 | S | S | * | * | | | cis | 72.4 | 154.6 | 43.1 | -54 | 169.3 | 175.1 | -175 | 0 | 114.6 | I1402 | I1402-K1404 HydrophobicContact CG2-CD 4.18Å; I1402-K1404 HydrophobicContact CG2-CG 4.17Å |
| 1405 | L | 34.2 | Very low | 34 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | trans | 72.4 | 142.2 | 163.1 | -57.3 | 168.7 | 0 | 0 | 0 | 113.7 | | |
| 1406 | S | 37.1 | Very low | 34.3 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | cis | -170.1 | 153.3 | -4.7 | 35.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1407 | S | 37.7 | Very low | 34.5 | Very low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | | | cis | -172.4 | 156.3 | -9.9 | -90.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1408 | S | 35.5 | Very low | 34.5 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | 65.6 | 160 | 150.9 | -75.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1409 | N | 33.5 | Very low | 34.3 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | | | cis | -160.1 | 160.7 | -11.7 | -100.5 | -5.2 | 0 | 0 | 0 | 104.8 | | |
| 1410 | Q | 34.6 | Very low | 34.6 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | | | cis | -165.4 | 148.5 | 10.1 | -123.6 | 166.5 | 38.7 | 0 | 0 | 107.8 | | |
| 1411 | M | 36.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | | | trans | 55.1 | 158.9 | 138.8 | -65.4 | 172.8 | -174.1 | 0 | 0 | 119.7 | | |
| 1412 | N | 33.3 | Very low | 34.1 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | cis | -170.1 | 162.6 | -18.3 | -101.2 | -6 | 0 | 0 | 0 | 105 | | |
| 1413 | S | 35.4 | Very low | 34 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | | | cis | -171.4 | 177.9 | -9.9 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1414 | S | 35.4 | Very low | 33.9 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | trans | 65.7 | 138.2 | 156.1 | 36.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1415 | S | 35.4 | Very low | 33.9 | Very low | 100 Ų | 100 | 117 Ų | 117 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | cis | -167.7 | 148.1 | -5.3 | 43.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1416 | S | 34 | Very low | 33.6 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | 42.8 | 122.7 | 147.1 | 59.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1417 | G | 35.7 | Very low | 33.2 | Very low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | cis | 118.7 | -170.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1418 | N | 34.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 73.2 | 128.2 | -179 | -55.8 | -33.8 | 0 | 0 | 0 | 114.7 | | |
| 1419 | N | 27.9 | Very low | 32.5 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | | 63 | 126.7 | 54.4 | -51.4 | -40.2 | 0 | 0 | 0 | 110.3 | | |
| 1420 | S | 34.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | cis | -153.7 | 146.5 | 45.6 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1421 | N | 27.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | | 38.4 | 106.3 | 82.7 | -77.9 | -14.5 | 0 | 0 | 0 | 114.3 | | |
| 1422 | E | 29.5 | Very low | 31.9 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | | -177.9 | 119.7 | 116.3 | -95.4 | -167 | 131.4 | 0 | 0 | 110.3 | | |
| 1423 | I | 31.7 | Very low | 31.8 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | | 72.7 | 111.4 | 101.2 | -64.1 | 179 | 0 | 0 | 0 | 115.2 | | |
| 1424 | G | 33.9 | Very low | 31.5 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | 90.9 | 146.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1425 | G | 33.9 | Very low | 31.3 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | 162.5 | 92.7 | -8.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1426 | K | 28.4 | Very low | 31 | Very low | 203 Ų | 203 | 125.6 Ų | 125.6 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | 72.8 | 159.8 | 163.1 | -50.4 | 171.4 | 179.3 | 171.7 | 0 | 116.9 | | |
| 1427 | Q | 28.8 | Very low | 30.9 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | | | trans | 72.3 | 104.3 | 170.4 | -62.3 | 175.5 | 0.2 | 0 | 0 | 114 | | |
| 1428 | S | 27.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | | 85.3 | 92.2 | 64.4 | 173.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1429 | N | 30.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | -162.8 | 139.3 | 137.9 | -89.6 | -31.1 | 0 | 0 | 0 | 106.9 | | |
| 1430 | N | 30.1 | Very low | 30.7 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | cis | 60.3 | 88.2 | 46.9 | -71.9 | -23.9 | 0 | 0 | 0 | 113.5 | | |
| 1431 | G | 30.9 | Very low | 30.4 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 155.9 | 78.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1432 | S | 32.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | | 90.7 | 136.3 | 57.4 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1433 | N | 30.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | trans | 74.1 | 141.4 | 173.8 | -42.8 | -57.4 | 0 | 0 | 0 | 113.8 | | |
| 1434 | L | 29.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -119 | 149.7 | 13.9 | -68.8 | 159.9 | 0 | 0 | 0 | 110.7 | | |
| 1435 | S | 29.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | | | cis | -167 | 124.4 | -0.6 | 147 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1436 | M | 30.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | | | trans | 63.9 | 156.9 | 162.4 | -48.4 | -75.7 | 101.8 | 0 | 0 | 117.2 | | |
| 1437 | K | 31.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | | | cis | -162.6 | 137.2 | -31.6 | -106.4 | 169.2 | -178.9 | 155.6 | 0 | 104.4 | | |
| 1438 | S | 29.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | cis | 71.5 | 78.9 | 43.8 | -170.7 | 0 | 0 | 0 | 0 | 115 | | |
| 1439 | S | 33.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 178.8 | 151.2 | 156.3 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1440 | D | 31 | Very low | 29.6 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | cis | -165.7 | 178.4 | -34.6 | -128.4 | -57.9 | 0 | 0 | 0 | 109.9 | | |
| 1441 | L | 29.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -67.2 | 142.6 | -178.5 | -79 | 72 | 0 | 0 | 0 | 114 | | |
| 1442 | R | 24.2 | Very low | 29.4 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | 60.3 | 100.3 | 165.3 | -71.5 | 175.9 | 160.1 | 172.6 | -6.1 | 117.5 | | |
| 1443 | K | 27.8 | Very low | 29.2 | Very low | 215 Ų | 215 | 142 Ų | 142 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | | | trans | -162.1 | 167.2 | 135.3 | -109.7 | 157.6 | -172.7 | 179 | 0 | 112.1 | | |
| 1444 | Q | 25.5 | Very low | 29.1 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -104.6 | 155.5 | 178.1 | -61.3 | 170.4 | -78.4 | 0 | 0 | 110.3 | | |
| 1445 | N | 24.9 | Very low | 28.9 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 67.3 | 160.9 | 163.9 | -60.3 | -5.7 | 0 | 0 | 0 | 118.5 | | |
| 1446 | E | 30 | Very low | 28.8 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 148.5 | 166.9 | -61.1 | 173 | -165.5 | 0 | 0 | 118.7 | | |
| 1447 | A | 32.5 | Very low | 28.8 | Very low | 78 Ų | 78 | 149.9 Ų | 149.9 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | | | cis | -170.6 | 142.4 | -33 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1448 | I | 32.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | 61 | 112.3 | 135 | -65.9 | 174.5 | 0 | 0 | 0 | 120.7 | | |
| 1449 | T | 30.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | 75.2 | 118.1 | 136.6 | -61.4 | 0 | 0 | 0 | 0 | 123.3 | S1451 | T1449-S1451 WeakPolarHBondContact CG2-OG 3.48Š|
| 1450 | M | 27 | Very low | 28.7 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | | -129.8 | 126.1 | 114 | -74.4 | -172.3 | -95.5 | 0 | 0 | 106.7 | | |
| 1451 | S | 28.7 | Very low | 28.8 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | | 74.5 | 133.5 | 53.8 | -64.7 | 0 | 0 | 0 | 0 | 112.7 | T1449 | T1449-S1451 WeakPolarHBondContact CG2-OG 3.48Š|
| 1452 | A | 28.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | | | cis | -154.7 | 169.2 | -10.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1453 | N | 27.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -147.6 | 166.1 | 33.7 | -70.4 | -77.9 | 0 | 0 | 0 | 108.6 | H1455 | N1453-H1455 PolarHBondContact OD1-CE1 3.34Š|
| 1454 | L | 28.4 | Very low | 29 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | S | Bend | cis | -127.2 | 123.3 | 21.1 | -69.7 | 151.3 | 0 | 0 | 0 | 112.8 | | |
| 1455 | H | 25.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | | | | 46.5 | 102.2 | 126.1 | -66.4 | 90.8 | 0 | 0 | 0 | 121 | N1453 | N1453-H1455 PolarHBondContact OD1-CE1 3.34Š|
| 1456 | F | 28.6 | Very low | 29.3 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | | | | -130.9 | 153.2 | 126.6 | -91.6 | -76.5 | 0 | 0 | 0 | 110.2 | | |
| 1457 | N | 30.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | | | trans | -78.2 | 143.4 | -160.5 | -161.8 | 5.1 | 0 | 0 | 0 | 113 | | |
| 1458 | N | 27.5 | Very low | 28.9 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -132.4 | 131.5 | -166.8 | -147.7 | 0.9 | 0 | 0 | 0 | 110.1 | | |
| 1459 | N | 32.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -160.5 | 148.8 | 166.6 | -126.7 | -24.1 | 0 | 0 | 0 | 114.2 | | |
| 1460 | S | 32.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | 67.2 | 91.1 | 161.4 | -53.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1461 | T | 31.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 38.5 | 149.6 | 112.7 | 57.8 | 0 | 0 | 0 | 0 | 122 | | |
| 1462 | S | 25.8 | Very low | 28.9 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | cis | 177.7 | 162.6 | -20.7 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1463 | T | 31 | Very low | 29 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | 65.1 | 136.8 | 164.4 | 67.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1464 | G | 28.5 | Very low | 29.1 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | 152.4 | 97.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1465 | L | 31 | Very low | 29.1 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 56.7 | 109.9 | 143.5 | -52.5 | 178.3 | 0 | 0 | 0 | 121.4 | | |
| 1466 | N | 27.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | | 32.8 | 137.3 | 126.8 | -56.6 | -20.5 | 0 | 0 | 0 | 122.1 | | |
| 1467 | N | 27.6 | Very low | 29.4 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 86.4 | 132.2 | 164 | -55.7 | -29.9 | 0 | 0 | 0 | 117.6 | | |
| 1468 | S | 26.5 | Very low | 30 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | 43.7 | 79.9 | 161.1 | 58.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1469 | L | 31.1 | Very low | 31 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | | | trans | -113.3 | 69.2 | 149.4 | -139.2 | 77.6 | 0 | 0 | 0 | 110.4 | A1472 | L1469-A1472 HydrophobicContact CD2-CB 3.91Å; L1469-A1472 HydrophobicContact CG-CB 4.14Å |
| 1470 | S | 26.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | trans | -61.3 | 131.7 | 171.1 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | A1472 | S1470-A1472 VanDerWaalsContact C-N 3.34Å; S1470-A1472 PolarHBondContact O-N 2.79Å; S1470-A1472 VanDerWaalsContact O-N 3.08Å |
| 1471 | A | 28.4 | Very low | 34.3 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 36.2 | 59.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1473 | A1471-Q1473 PolarHBondContact O-N 3.41Š|
| 1472 | A | 30.3 | Very low | 36.6 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | | | trans | -69.6 | 77.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1469 S1470 L1474 | L1469-A1472 HydrophobicContact CD2-CB 3.91Å; L1469-A1472 HydrophobicContact CG-CB 4.14Å; S1470-A1472 VanDerWaalsContact C-N 3.34Å; S1470-A1472 PolarHBondContact O-N 2.79Å; S1470-A1472 VanDerWaalsContact O-N 3.08Å; A1472-L1474 PolarHBondContact O-N 3.29Å |
| 1473 | Q | 30.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 115.1 Ų | 115.1 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | | | trans | 12.6 | 90.3 | 151.9 | -70.4 | -174.7 | -82.4 | 0 | 0 | 116.5 | A1471 S1475 | A1471-Q1473 PolarHBondContact O-N 3.41Å; Q1473-S1475 VanDerWaalsContact NE2-CB 3.27Å; Q1473-S1475 PolarHBondContact NE2-OG 2.77Å; Q1473-S1475 PolarHBondContact O-N 2.89Å; Q1473-S1475 VanDerWaalsContact O-N 3.08Å |
| 1474 | L | 30.9 | Very low | 42 | Very low | 159 Ų | 159 | 112.7 Ų | 112.7 | 83% | 0.832 | 65% | 0.646 | S | S | * | * | | | trans | -78.2 | 59.3 | 136.4 | -156.8 | 77.9 | 0 | 0 | 0 | 108.6 | A1472 M1476 | A1472-L1474 PolarHBondContact O-N 3.29Å; L1474-M1476 PolarHBondContact O-N 2.92Å |
| 1475 | S | 27.3 | Very low | 44.9 | Very low | 69 Ų | 69 | 111 Ų | 111 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | | | trans | -80.8 | 57.9 | -177.1 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | Q1473 A1477 | Q1473-S1475 VanDerWaalsContact NE2-CB 3.27Å; Q1473-S1475 PolarHBondContact NE2-OG 2.77Å; Q1473-S1475 PolarHBondContact O-N 2.89Å; Q1473-S1475 VanDerWaalsContact O-N 3.08Å; S1475-A1477 PolarHBondContact O-N 3.5Å; S1475-A1477 VanDerWaalsContact O-N 3.12Å |
| 1476 | M | 29.7 | Very low | 47.4 | Very low | 125 Ų | 125 | 107.3 Ų | 107.3 | 62% | 0.616 | 60% | 0.6 | S | S | * | * | | | trans | -61.6 | 112.4 | 153.7 | -64.3 | -164.8 | -168.5 | 0 | 0 | 106 | L1474 T1478 | L1474-M1476 PolarHBondContact O-N 2.92Å; M1476-T1478 PolarHBondContact O-N 2.92Å |
| 1477 | A | 31 | Very low | 50.1 | Low | 76 Ų | 76 | 104.1 Ų | 104.1 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | | | trans | -81 | 57.6 | -156.6 | 0 | 0 | 0 | 0 | 0 | 114 | S1475 Q1479 | S1475-A1477 PolarHBondContact O-N 3.5Å; S1475-A1477 VanDerWaalsContact O-N 3.12Å; A1477-Q1479 HydrophobicContact CB-CG 4.48Å; A1477-Q1479 PolarHBondContact O-N 2.78Å |
| 1478 | T | 42.8 | Very low | 52.7 | Low | 105 Ų | 105 | 96.9 Ų | 96.9 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | | | trans | -71.2 | 79.3 | 153.3 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | M1476 N1480 | M1476-T1478 PolarHBondContact O-N 2.92Å; T1478-N1480 PolarHBondContact O-N 3.13Å |
| 1479 | Q | 49.7 | Very low | 55.3 | Low | 180 Ų | 180 | 93.6 Ų | 93.6 | 84% | 0.841 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 13.5 | 174.8 | -66.9 | -172 | -18.9 | 0 | 0 | 114.2 | A1477 | A1477-Q1479 HydrophobicContact CB-CG 4.48Å; A1477-Q1479 PolarHBondContact O-N 2.78Å |
| 1480 | N | 59.8 | Low | 57.7 | Low | 90 Ų | 90 | 91.1 Ų | 91.1 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | 25.8 | -155.4 | -76.1 | -21.1 | 0 | 0 | 0 | 109.8 | T1478 M1504 G1505 | T1478-N1480 PolarHBondContact O-N 3.13Å; N1480-M1504 CarbonylContact O-C 3.59Å; N1480-M1504 VanDerWaalsContact O-CA 3.28Å; N1480-M1504 WeakPolarHBondContact O-CA 3.29Å; N1480-G1505 PolarHBondContact O-N 3.34Å |
| 1481 | F | 74.1 | Confident | 60.4 | Low | 64 Ų | 64 | 90 Ų | 90 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 121.8 | 173.1 | -164.4 | -109.7 | 0 | 0 | 0 | 112.8 | A1307 I1483 M1502 E1503 M1504 | A1307-F1481 HydrophobicContact CB-CE1 4.23Å; A1307-F1481 HydrophobicContact CB-CZ 4.17Å; F1481-I1483 HydrophobicContact CE1-CD1 3.8Å; F1481-I1483 HydrophobicContact CE1-CG1 3.85Å; F1481-I1483 HydrophobicContact CZ-CD1 3.83Å; F1481-I1483 HydrophobicContact CZ-CG1 3.86Å; F1481-M1502 HydrophobicContact CE2-CG 3.63Å; F1481-M1502 HydrophobicContact CE2-SD 3.76Å; F1481-M1502 HydrophobicContact CZ-CE 4.21Å; F1481-M1502 HydrophobicContact CZ-CG 3.99Å; F1481-M1502 HydrophobicContact CZ-SD 3.96Å; F1481-E1503 VanDerWaalsContact CA-O 3.28Å; F1481-E1503 WeakPolarHBondContact CA-O 3.38Å; F1481-E1503 WeakPolarHBondContact CD2-O 3.37Å; F1481-M1504 HydrophobicContact CD2-CB 3.9Å; F1481-M1504 HydrophobicContact CD2-CG 3.83Å; F1481-M1504 HydrophobicContact CD2-SD 4.17Å; F1481-M1504 HydrophobicContact CE2-CB 4.18Å; F1481-M1504 HydrophobicContact CE2-CG 4.2Å; F1481-M1504 HydrophobicContact CE2-SD 4.01Å |
| 1482 | R | 78.6 | Confident | 63.1 | Low | 150 Ų | 150 | 89.1 Ų | 89.1 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 130.9 | 175.8 | 161.6 | -175.1 | -88.3 | -175.9 | -5.7 | 109.9 | M1502 E1503 | R1482-M1502 CarbonylContact O-C 3.57Å; R1482-M1502 WeakPolarHBondContact O-CA 3.31Å; R1482-E1503 HydrophobicContact CB-CB 4.15Å; R1482-E1503 WeakPolarHBondContact CD-OE2 3.46Å; R1482-E1503 PolarHBondContact N-O 3.21Å; R1482-E1503 PolarHBondContact O-N 3.3Å |
| 1483 | I | 87.1 | Confident | 65.7 | Low | 33 Ų | 33 | 88.1 Ų | 88.1 | 17% | 0.169 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.9 | 168.5 | -57.1 | 173.9 | 0 | 0 | 0 | 109 | A1307 F1481 T1485 V1500 T1501 M1502 | A1307-I1483 HydrophobicContact CB-CD1 3.61Å; F1481-I1483 HydrophobicContact CE1-CD1 3.8Å; F1481-I1483 HydrophobicContact CE1-CG1 3.85Å; F1481-I1483 HydrophobicContact CZ-CD1 3.83Å; F1481-I1483 HydrophobicContact CZ-CG1 3.86Å; I1483-T1485 HydrophobicContact CG2-CG2 4.5Å; I1483-V1500 HydrophobicContact CG2-CG1 4.07Å; I1483-T1501 CarbonylContact C-O 3.57Å; I1483-T1501 WeakPolarHBondContact CA-O 3.29Å; I1483-M1502 HydrophobicContact CD1-CE 3.93Å; I1483-M1502 HydrophobicContact CG1-CB 4.48Å; I1483-M1502 HydrophobicContact CG1-CE 4.14Å; I1483-M1502 HydrophobicContact CG1-CG 4.19Å |
| 1484 | Q | 82.8 | Confident | 68.2 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.8 | 169.8 | -173.8 | 177.4 | 7 | 0 | 0 | 109.5 | T1501 | Q1484-T1501 PolarHBondContact N-O 3.02Å; Q1484-T1501 PolarHBondContact O-N 2.97Å |
| 1485 | T | 89.5 | Confident | 70.5 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.7 | 174 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | A1314 I1483 V1499 V1500 | A1314-T1485 HydrophobicContact CB-CG2 4.05Å; I1483-T1485 HydrophobicContact CG2-CG2 4.5Å; T1485-V1499 CarbonylContact C-O 3.17Å; T1485-V1499 WeakPolarHBondContact CA-O 3.2Å; T1485-V1500 HydrophobicContact CG2-CG1 4.41Å; T1485-V1500 HydrophobicContact CG2-CG2 4.09Å |
| 1486 | Q | 83 | Confident | 73.2 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.5 | 173.5 | -64.3 | -168.8 | 34.5 | 0 | 0 | 110 | M1491 V1499 | Q1486-M1491 HydrophobicContact CB-CE 3.72Å; Q1486-V1499 PolarHBondContact N-O 3.37Å; Q1486-V1499 PolarHBondContact O-N 3.34Å |
| 1487 | P | 84.2 | Confident | 75.8 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 146.5 | 170.5 | -21.4 | 33.1 | 0 | 0 | 0 | 111.3 | P1490 M1491 | P1487-P1490 WeakPolarHBondContact O-CD 3.32Å; P1487-M1491 WeakPolarHBondContact O-CE 3.45Å |
| 1488 | G | 82.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -74.8 | -29.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1491 G1492 L1493 A1497 | G1488-M1491 CarbonylContact O-C 3.53Å; G1488-M1491 WeakPolarHBondContact O-CA 3.28Å; G1488-M1491 PolarHBondContact O-N 3.07Å; G1488-G1492 PolarHBondContact O-N 3.47Å; G1488-L1493 CarbonylContact C-O 3.5Å; G1488-L1493 WeakPolarHBondContact O-CB 3.29Å; G1488-L1493 PolarHBondContact O-N 3.3Å; G1488-L1493 VanDerWaalsContact O-N 3.12Å; G1488-A1497 WeakPolarHBondContact CA-O 3.32Å; G1488-A1497 PolarHBondContact N-O 3.02Å |
| 1489 | A | 81.6 | Confident | 80.6 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -57.6 | -41.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1491 G1492 L1493 | A1489-M1491 PolarHBondContact O-N 3.43Å; A1489-M1491 VanDerWaalsContact O-N 3.13Å; A1489-G1492 PolarHBondContact O-N 2.8Å; A1489-L1493 WeakPolarHBondContact CA-O 3.31Å; A1489-L1493 PolarHBondContact N-O 3.41Å |
| 1490 | P | 82.5 | Confident | 82.6 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -59.5 | -17.1 | 170.7 | -26.6 | 35.8 | 0 | 0 | 0 | 115.7 | P1487 | P1487-P1490 WeakPolarHBondContact O-CD 3.32Š|
| 1491 | M | 82.7 | Confident | 84 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 41% | 0.409 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -110 | 16.6 | -179.2 | -72 | 171.9 | -82.3 | 0 | 0 | 112.7 | Q1486 P1487 G1488 A1489 L1493 V1499 | Q1486-M1491 HydrophobicContact CB-CE 3.72Å; P1487-M1491 WeakPolarHBondContact O-CE 3.45Å; G1488-M1491 CarbonylContact O-C 3.53Å; G1488-M1491 WeakPolarHBondContact O-CA 3.28Å; G1488-M1491 PolarHBondContact O-N 3.07Å; A1489-M1491 PolarHBondContact O-N 3.43Å; A1489-M1491 VanDerWaalsContact O-N 3.13Å; M1491-L1493 PolarHBondContact O-N 3.48Å; M1491-V1499 HydrophobicContact CE-CB 3.81Å; M1491-V1499 HydrophobicContact CE-CG1 4.45Å; M1491-V1499 HydrophobicContact CE-CG2 3.44Å; M1491-V1499 VanDerWaalsContact CE-CG2 3.44Å; M1491-V1499 HydrophobicContact SD-CB 4.5Å; M1491-V1499 HydrophobicContact SD-CG2 4.01Å |
| 1492 | G | 84.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 61 Ų | 61 | 76% | 0.763 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 6.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | G1488 A1489 | G1488-G1492 PolarHBondContact O-N 3.47Å; A1489-G1492 PolarHBondContact O-N 2.8Å |
| 1493 | L | 85.7 | Confident | 85 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83.8 | 152.7 | 171.6 | -62 | 162.8 | 0 | 0 | 0 | 109.6 | G1488 A1489 M1491 A1497 V1499 V1512 F1514 | G1488-L1493 CarbonylContact C-O 3.5Å; G1488-L1493 WeakPolarHBondContact O-CB 3.29Å; G1488-L1493 PolarHBondContact O-N 3.3Å; G1488-L1493 VanDerWaalsContact O-N 3.12Å; A1489-L1493 WeakPolarHBondContact CA-O 3.31Å; A1489-L1493 PolarHBondContact N-O 3.41Å; M1491-L1493 PolarHBondContact O-N 3.48Å; L1493-A1497 HydrophobicContact CB-CB 3.79Å; L1493-V1499 HydrophobicContact CD1-CG2 3.54Å; L1493-V1512 HydrophobicContact CD1-CG1 3.88Å; L1493-V1512 HydrophobicContact CD1-CG2 3.9Å; L1493-F1514 HydrophobicContact CD2-CZ 4.39Å |
| 1494 | P | 82.4 | Confident | 84.8 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | | | trans | -61 | 157.3 | -179.7 | 27.1 | -36.6 | 0 | 0 | 0 | 112.2 | N1496 A1497 F1514 | P1494-N1496 WeakPolarHBondContact CB-OD1 3.34Å; P1494-N1496 PolarHBondContact O-N 2.83Å; P1494-A1497 HydrophobicContact CG-CB 4.42Å; P1494-A1497 WeakPolarHBondContact O-CB 3.17Å; P1494-A1497 PolarHBondContact O-N 2.76Å; P1494-F1514 HydrophobicContact CG-CD1 3.97Å; P1494-F1514 HydrophobicContact CG-CE1 3.71Å |
| 1495 | Q | 79.4 | Confident | 84.7 | Confident | 181 Ų | 181 | 57.4 Ų | 57.4 | 85% | 0.846 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.2 | -168 | -161.6 | 129.8 | 17.2 | 0 | 0 | 115.1 | | |
| 1496 | N | 83.8 | Confident | 84.4 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | 173 | 70.9 | -48.6 | 0 | 0 | 0 | 113.7 | P1494 F1514 G1515 | P1494-N1496 WeakPolarHBondContact CB-OD1 3.34Å; P1494-N1496 PolarHBondContact O-N 2.83Å; N1496-F1514 CarbonylContact O-C 3.47Å; N1496-G1515 PolarHBondContact O-N 2.91Å |
| 1497 | A | 84.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1488 L1493 P1494 V1512 L1513 F1514 | G1488-A1497 WeakPolarHBondContact CA-O 3.32Å; G1488-A1497 PolarHBondContact N-O 3.02Å; L1493-A1497 HydrophobicContact CB-CB 3.79Å; P1494-A1497 HydrophobicContact CG-CB 4.42Å; P1494-A1497 WeakPolarHBondContact O-CB 3.17Å; P1494-A1497 PolarHBondContact O-N 2.76Å; A1497-V1512 HydrophobicContact CB-CG1 3.87Å; A1497-L1513 CarbonylContact C-O 3.47Å; A1497-L1513 VanDerWaalsContact CA-O 3.26Å; A1497-L1513 WeakPolarHBondContact CA-O 3.26Å; A1497-F1514 HydrophobicContact CB-CD1 3.93Å; A1497-F1514 HydrophobicContact CB-CE1 3.95Å |
| 1498 | I | 86.5 | Confident | 84.5 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.8 | 168.6 | -59.8 | 176.9 | 0 | 0 | 0 | 107.4 | A1318 V1500 V1512 L1513 | A1318-I1498 HydrophobicContact CB-CD1 4.15Å; I1498-V1500 HydrophobicContact CG2-CG2 4.2Å; I1498-V1512 WeakPolarHBondContact O-CA 3.09Å; I1498-L1513 PolarHBondContact N-O 3.33Å; I1498-L1513 PolarHBondContact O-N 2.8Å |
| 1499 | V | 88.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | T1485 Q1486 M1491 L1493 Q1510 G1511 V1512 | T1485-V1499 CarbonylContact C-O 3.17Å; T1485-V1499 WeakPolarHBondContact CA-O 3.2Å; Q1486-V1499 PolarHBondContact N-O 3.37Å; Q1486-V1499 PolarHBondContact O-N 3.34Å; M1491-V1499 HydrophobicContact CE-CB 3.81Å; M1491-V1499 HydrophobicContact CE-CG1 4.45Å; M1491-V1499 HydrophobicContact CE-CG2 3.44Å; M1491-V1499 VanDerWaalsContact CE-CG2 3.44Å; M1491-V1499 HydrophobicContact SD-CB 4.5Å; M1491-V1499 HydrophobicContact SD-CG2 4.01Å; L1493-V1499 HydrophobicContact CD1-CG2 3.54Å; V1499-Q1510 HydrophobicContact CG1-CG 3.99Å; V1499-G1511 CarbonylContact C-O 3.55Å; V1499-G1511 WeakPolarHBondContact CA-O 3.14Å; V1499-V1512 HydrophobicContact CG2-CG2 4.3Å |
| 1500 | V | 90.7 | Very high | 85.3 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.6 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | L1311 I1483 T1485 I1498 Q1510 G1511 L1513 | L1311-V1500 HydrophobicContact CD1-CG1 4.35Å; L1311-V1500 HydrophobicContact CD1-CG2 3.96Å; I1483-V1500 HydrophobicContact CG2-CG1 4.07Å; T1485-V1500 HydrophobicContact CG2-CG1 4.41Å; T1485-V1500 HydrophobicContact CG2-CG2 4.09Å; I1498-V1500 HydrophobicContact CG2-CG2 4.2Å; V1500-Q1510 WeakPolarHBondContact O-CA 3.3Å; V1500-G1511 PolarHBondContact N-O 2.66Å; V1500-G1511 PolarHBondContact O-N 3.19Å; V1500-L1513 HydrophobicContact CB-CD1 4.23Å; V1500-L1513 HydrophobicContact CG2-CD1 3.49Å; V1500-L1513 VanDerWaalsContact CG2-CD1 3.49Å |
| 1501 | T | 89 | Confident | 85.6 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.1 | 174.9 | -47.2 | 0 | 0 | 0 | 0 | 107.5 | I1483 Q1484 L1508 Y1509 | I1483-T1501 CarbonylContact C-O 3.57Å; I1483-T1501 WeakPolarHBondContact CA-O 3.29Å; Q1484-T1501 PolarHBondContact N-O 3.02Å; Q1484-T1501 PolarHBondContact O-N 2.97Å; T1501-L1508 HydrophobicContact CG2-CD1 3.57Å; T1501-L1508 HydrophobicContact CG2-CD2 4.27Å; T1501-L1508 HydrophobicContact CG2-CG 3.92Å; T1501-Y1509 CarbonylContact C-O 3.48Å; T1501-Y1509 WeakPolarHBondContact CA-O 3.25Å |
| 1502 | M | 89.6 | Confident | 85.9 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 105.9 | -177.9 | 177.5 | -175.1 | -64.6 | 0 | 0 | 108.5 | F1481 R1482 I1483 Y1509 | F1481-M1502 HydrophobicContact CE2-CG 3.63Å; F1481-M1502 HydrophobicContact CE2-SD 3.76Å; F1481-M1502 HydrophobicContact CZ-CE 4.21Å; F1481-M1502 HydrophobicContact CZ-CG 3.99Å; F1481-M1502 HydrophobicContact CZ-SD 3.96Å; R1482-M1502 CarbonylContact O-C 3.57Å; R1482-M1502 WeakPolarHBondContact O-CA 3.31Å; I1483-M1502 HydrophobicContact CD1-CE 3.93Å; I1483-M1502 HydrophobicContact CG1-CB 4.48Å; I1483-M1502 HydrophobicContact CG1-CE 4.14Å; I1483-M1502 HydrophobicContact CG1-CG 4.19Å; M1502-Y1509 PolarHBondContact N-O 3.37Å; M1502-Y1509 WeakPolarHBondContact O-CB 3.29Å; M1502-Y1509 PolarHBondContact O-N 3.04Å |
| 1503 | E | 85.2 | Confident | 86 | Confident | 82 Ų | 82 | 69.3 Ų | 69.3 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.8 | 171.1 | -175.4 | 172.9 | -159.7 | 0 | 0 | 107.7 | F1481 R1482 L1508 | F1481-E1503 VanDerWaalsContact CA-O 3.28Å; F1481-E1503 WeakPolarHBondContact CA-O 3.38Å; F1481-E1503 WeakPolarHBondContact CD2-O 3.37Å; R1482-E1503 HydrophobicContact CB-CB 4.15Å; R1482-E1503 WeakPolarHBondContact CD-OE2 3.46Å; R1482-E1503 PolarHBondContact N-O 3.21Å; R1482-E1503 PolarHBondContact O-N 3.3Å; E1503-L1508 HydrophobicContact CB-CD1 3.93Å; E1503-L1508 HydrophobicContact CG-CD1 4.44Å |
| 1504 | M | 81.9 | Confident | 86 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 47% | 0.473 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 112.5 | 178.2 | -170.1 | 168.7 | -167.9 | 0 | 0 | 110.5 | N1480 F1481 I1507 Y1509 | N1480-M1504 CarbonylContact O-C 3.59Å; N1480-M1504 VanDerWaalsContact O-CA 3.28Å; N1480-M1504 WeakPolarHBondContact O-CA 3.29Å; F1481-M1504 HydrophobicContact CD2-CB 3.9Å; F1481-M1504 HydrophobicContact CD2-CG 3.83Å; F1481-M1504 HydrophobicContact CD2-SD 4.17Å; F1481-M1504 HydrophobicContact CE2-CB 4.18Å; F1481-M1504 HydrophobicContact CE2-CG 4.2Å; F1481-M1504 HydrophobicContact CE2-SD 4.01Å; M1504-I1507 PolarHBondContact N-O 2.97Å; M1504-I1507 WeakPolarHBondContact O-CB 3.04Å; M1504-I1507 PolarHBondContact O-N 2.67Å; M1504-I1507 VanDerWaalsContact O-N 3.12Å; M1504-Y1509 HydrophobicContact CB-CD2 4.46Å; M1504-Y1509 HydrophobicContact CB-CE2 4.22Å |
| 1505 | G | 81.9 | Confident | 85.5 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -138.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1480 I1507 | N1480-G1505 PolarHBondContact O-N 3.34Å; G1505-I1507 PolarHBondContact O-N 2.7Å |
| 1506 | N | 81.9 | Confident | 84.4 | Confident | 167 Ų | 167 | 69.9 Ų | 69.9 | 89% | 0.893 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 12.8 | 173.5 | -58.5 | 36.7 | 0 | 0 | 0 | 112.4 | | |
| 1507 | I | 81.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.4 | -174.6 | -51.2 | 176.9 | 0 | 0 | 0 | 109.5 | M1504 G1505 Y1509 | M1504-I1507 PolarHBondContact N-O 2.97Å; M1504-I1507 WeakPolarHBondContact O-CB 3.04Å; M1504-I1507 PolarHBondContact O-N 2.67Å; M1504-I1507 VanDerWaalsContact O-N 3.12Å; G1505-I1507 PolarHBondContact O-N 2.7Å; I1507-Y1509 HydrophobicContact CB-CE2 3.97Å; I1507-Y1509 HydrophobicContact CG2-CD2 4.02Å; I1507-Y1509 HydrophobicContact CG2-CE1 4.26Å; I1507-Y1509 HydrophobicContact CG2-CE2 3.54Å |
| 1508 | L | 88 | Confident | 80.7 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 59% | 0.592 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.5 | 174.5 | -166.6 | 72.9 | 0 | 0 | 0 | 110 | T1501 E1503 | T1501-L1508 HydrophobicContact CG2-CD1 3.57Å; T1501-L1508 HydrophobicContact CG2-CD2 4.27Å; T1501-L1508 HydrophobicContact CG2-CG 3.92Å; E1503-L1508 HydrophobicContact CB-CD1 3.93Å; E1503-L1508 HydrophobicContact CG-CD1 4.44Å |
| 1509 | Y | 90.8 | Very high | 78.5 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133.3 | 169.6 | -61.7 | -89.4 | 0 | 0 | 0 | 109.4 | T1501 M1502 M1504 I1507 | T1501-Y1509 CarbonylContact C-O 3.48Å; T1501-Y1509 WeakPolarHBondContact CA-O 3.25Å; M1502-Y1509 PolarHBondContact N-O 3.37Å; M1502-Y1509 WeakPolarHBondContact O-CB 3.29Å; M1502-Y1509 PolarHBondContact O-N 3.04Å; M1504-Y1509 HydrophobicContact CB-CD2 4.46Å; M1504-Y1509 HydrophobicContact CB-CE2 4.22Å; I1507-Y1509 HydrophobicContact CB-CE2 3.97Å; I1507-Y1509 HydrophobicContact CG2-CD2 4.02Å; I1507-Y1509 HydrophobicContact CG2-CE1 4.26Å; I1507-Y1509 HydrophobicContact CG2-CE2 3.54Å |
| 1510 | Q | 90.3 | Very high | 78.1 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.9 | 172.2 | -164.4 | 177.4 | 23.2 | 0 | 0 | 109.9 | V1499 V1500 | V1499-Q1510 HydrophobicContact CG1-CG 3.99Å; V1500-Q1510 WeakPolarHBondContact O-CA 3.3Å |
| 1511 | G | 88.9 | Confident | 77.4 | Confident | 23 Ų | 23 | 103.4 Ų | 103.4 | 24% | 0.237 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 168.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1499 V1500 | V1499-G1511 CarbonylContact C-O 3.55Å; V1499-G1511 WeakPolarHBondContact CA-O 3.14Å; V1500-G1511 PolarHBondContact N-O 2.66Å; V1500-G1511 PolarHBondContact O-N 3.19Å |
| 1512 | V | 90 | Very high | 76.8 | Confident | 52 Ų | 52 | 107.9 Ų | 107.9 | 32% | 0.315 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.3 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | L1493 A1497 I1498 V1499 F1514 | L1493-V1512 HydrophobicContact CD1-CG1 3.88Å; L1493-V1512 HydrophobicContact CD1-CG2 3.9Å; A1497-V1512 HydrophobicContact CB-CG1 3.87Å; I1498-V1512 WeakPolarHBondContact O-CA 3.09Å; V1499-V1512 HydrophobicContact CG2-CG2 4.3Å; V1512-F1514 HydrophobicContact CB-CE2 3.94Å; V1512-F1514 HydrophobicContact CB-CZ 4.41Å; V1512-F1514 HydrophobicContact CG1-CD2 4.06Å; V1512-F1514 HydrophobicContact CG1-CE1 4.33Å; V1512-F1514 HydrophobicContact CG1-CE2 3.53Å; V1512-F1514 HydrophobicContact CG1-CZ 3.7Å |
| 1513 | L | 86.6 | Confident | 76 | Confident | 51 Ų | 51 | 111 Ų | 111 | 27% | 0.267 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133 | 168.8 | -70.2 | 90.7 | 0 | 0 | 0 | 109.5 | A1497 I1498 V1500 | A1497-L1513 CarbonylContact C-O 3.47Å; A1497-L1513 VanDerWaalsContact CA-O 3.26Å; A1497-L1513 WeakPolarHBondContact CA-O 3.26Å; I1498-L1513 PolarHBondContact N-O 3.33Å; I1498-L1513 PolarHBondContact O-N 2.8Å; V1500-L1513 HydrophobicContact CB-CD1 4.23Å; V1500-L1513 HydrophobicContact CG2-CD1 3.49Å; V1500-L1513 VanDerWaalsContact CG2-CD1 3.49Å |
| 1514 | F | 86.3 | Confident | 75.4 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 87.1 | 178.2 | -66.4 | -94.9 | 0 | 0 | 0 | 110.1 | C452 L1493 P1494 N1496 A1497 V1512 | C452-F1514 PolarHBondContact SG-N 3.28Å; C452-F1514 PolarHBondContact SG-O 3.21Å; L1493-F1514 HydrophobicContact CD2-CZ 4.39Å; P1494-F1514 HydrophobicContact CG-CD1 3.97Å; P1494-F1514 HydrophobicContact CG-CE1 3.71Å; N1496-F1514 CarbonylContact O-C 3.47Å; A1497-F1514 HydrophobicContact CB-CD1 3.93Å; A1497-F1514 HydrophobicContact CB-CE1 3.95Å; V1512-F1514 HydrophobicContact CB-CE2 3.94Å; V1512-F1514 HydrophobicContact CB-CZ 4.41Å; V1512-F1514 HydrophobicContact CG1-CD2 4.06Å; V1512-F1514 HydrophobicContact CG1-CE1 4.33Å; V1512-F1514 HydrophobicContact CG1-CE2 3.53Å; V1512-F1514 HydrophobicContact CG1-CZ 3.7Å |
| 1515 | G | 70.7 | Confident | 75 | Confident | 46 Ų | 46 | 113.9 Ų | 113.9 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | | | trans | -102.1 | 112.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1496 L1517 | N1496-G1515 PolarHBondContact O-N 2.91Å; G1515-L1517 PolarHBondContact O-N 3.35Å |
| 1516 | Q | 56.6 | Low | 74.5 | Confident | 171 Ų | 171 | 120.2 Ų | 120.2 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | | | trans | -80.1 | 94.1 | 157.3 | -79.4 | -84.1 | -6 | 0 | 0 | 108 | K1518 | Q1516-K1518 PolarHBondContact O-N 3.33Š|
| 1517 | L | 47.4 | Very low | 73.9 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 65% | 0.654 | 56% | 0.561 | S | S | * | * | | | trans | -72.9 | 101.4 | 175.5 | -162.3 | 84 | 0 | 0 | 0 | 109.8 | A1319 G1515 | A1319-L1517 HydrophobicContact CB-CD2 3.37Å; G1515-L1517 PolarHBondContact O-N 3.35Å |
| 1518 | K | 43.2 | Very low | 73.3 | Confident | 195 Ų | 195 | 118.6 Ų | 118.6 | 85% | 0.848 | 57% | 0.569 | S | S | * | * | | | trans | -72.1 | 126.6 | 168.2 | -156.1 | 176.5 | -177.1 | -175.3 | 0 | 108.3 | Q1516 | Q1516-K1518 PolarHBondContact O-N 3.33Š|
| 1519 | R | 41.2 | Very low | 72 | Confident | 307 Ų | 307 | 119.1 Ų | 119.1 | 100% | 1.158 | 57% | 0.566 | S | S | * | * | | | trans | -70 | 0 | 167.5 | -69.7 | -173.1 | -176.8 | 177.7 | 1.1 | 110.7 | | |