| 1 | M | 54.3 | Low | 57.2 | Low | 166 Ų | 166 | 107.2 Ų | 107.2 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | | | | 0 | -154.8 | 0 | -139.7 | 155.4 | -173.4 | 0 | 0 | 107.8 | I3 I4 D5 | M1-I3 VanDerWaalsContact C-N 3.29Å; M1-I3 PolarHBondContact O-N 3.27Å; M1-I4 PolarHBondContact O-N 2.75Å; M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.25Å |
| 2 | L | 50.5 | Low | 58.1 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 18.7 | -64.8 | -174.2 | -59.8 | -173.1 | 0 | 0 | 0 | 118.6 | D5 F6 | L2-D5 WeakPolarHBondContact CA-OD2 3.32Å; L2-D5 PolarHBondContact N-OD2 3.12Å; L2-D5 PolarHBondContact O-N 3.38Å; L2-F6 PolarHBondContact O-N 3.09Å |
| 3 | I | 60.5 | Low | 60 | Low | 128 Ų | 128 | 113.9 Ų | 113.9 | 66% | 0.656 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.6 | -48.5 | 172.9 | -61.2 | 174.8 | 0 | 0 | 0 | 111.4 | M1 D5 F6 Y7 | M1-I3 VanDerWaalsContact C-N 3.29Å; M1-I3 PolarHBondContact O-N 3.27Å; I3-D5 VanDerWaalsContact C-N 3.35Å; I3-D5 PolarHBondContact O-N 2.82Å; I3-F6 PolarHBondContact O-N 3.48Å; I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.74Å; I3-Y7 VanDerWaalsContact O-CD2 3.27Å; I3-Y7 WeakPolarHBondContact O-CD2 3.35Å; I3-Y7 PolarHBondContact O-N 2.7Å; I3-Y7 VanDerWaalsContact O-N 3.09Å |
| 4 | I | 59.9 | Low | 61.9 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 55% | 0.549 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -47.6 | 178.8 | -57 | 174.7 | 0 | 0 | 0 | 109.8 | M1 F6 Y7 C8 | M1-I4 PolarHBondContact O-N 2.75Å; I4-F6 VanDerWaalsContact C-N 3.26Å; I4-F6 PolarHBondContact O-N 3.36Å; I4-Y7 PolarHBondContact O-N 2.6Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; I4-C8 PolarHBondContact O-N 2.92Å; I4-C8 PolarHBondContact O-SG 3.29Å; I4-C8 VanDerWaalsContact O-SG 3.4Å |
| 5 | D | 50.2 | Low | 63.7 | Low | 62 Ų | 62 | 111.2 Ų | 111.2 | 33% | 0.332 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | -177.8 | -41.4 | -21 | 0 | 0 | 0 | 110.5 | M1 L2 I3 L9 | M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.25Å; L2-D5 WeakPolarHBondContact CA-OD2 3.32Å; L2-D5 PolarHBondContact N-OD2 3.12Å; L2-D5 PolarHBondContact O-N 3.38Å; I3-D5 VanDerWaalsContact C-N 3.35Å; I3-D5 PolarHBondContact O-N 2.82Å; D5-L9 VanDerWaalsContact O-CG 3.29Å; D5-L9 WeakPolarHBondContact O-CG 3.39Å; D5-L9 PolarHBondContact O-N 2.93Å |
| 6 | F | 57.4 | Low | 65.2 | Low | 136 Ų | 136 | 113.4 Ų | 113.4 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.1 | -41.1 | 176.1 | -168.4 | -99.4 | 0 | 0 | 0 | 113.5 | L2 I3 I4 L9 L10 | L2-F6 PolarHBondContact O-N 3.09Å; I3-F6 PolarHBondContact O-N 3.48Å; I4-F6 VanDerWaalsContact C-N 3.26Å; I4-F6 PolarHBondContact O-N 3.36Å; F6-L9 PolarHBondContact O-N 2.99Å; F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CE1-CD1 3.61Å; F6-L10 HydrophobicContact CZ-CD1 4.12Å; F6-L10 PolarHBondContact O-N 3.14Å |
| 7 | Y | 58 | Low | 66.5 | Low | 124 Ų | 124 | 109.6 Ų | 109.6 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.5 | -85.6 | -71.2 | 0 | 0 | 0 | 111.7 | I3 I4 L9 L10 L11 L26 | I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.74Å; I3-Y7 VanDerWaalsContact O-CD2 3.27Å; I3-Y7 WeakPolarHBondContact O-CD2 3.35Å; I3-Y7 PolarHBondContact O-N 2.7Å; I3-Y7 VanDerWaalsContact O-N 3.09Å; I4-Y7 PolarHBondContact O-N 2.6Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.32Å; Y7-L10 PolarHBondContact O-N 2.81Å; Y7-L11 WeakPolarHBondContact O-CG 3.25Å; Y7-L11 PolarHBondContact O-N 2.97Å; Y7-L26 HydrophobicContact CE1-CD2 4.49Å |
| 8 | C | 53.8 | Low | 67.5 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 43% | 0.432 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.2 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | I4 L10 | I4-C8 PolarHBondContact O-N 2.92Å; I4-C8 PolarHBondContact O-SG 3.29Å; I4-C8 VanDerWaalsContact O-SG 3.4Å; C8-L10 PolarHBondContact O-N 3.39Å |
| 9 | L | 57.8 | Low | 68.7 | Low | 119 Ų | 119 | 108.4 Ų | 108.4 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.4 | -6 | -179.9 | -73.7 | 170.5 | 0 | 0 | 0 | 115.2 | D5 F6 Y7 R13 | D5-L9 VanDerWaalsContact O-CG 3.29Å; D5-L9 WeakPolarHBondContact O-CG 3.39Å; D5-L9 PolarHBondContact O-N 2.93Å; F6-L9 PolarHBondContact O-N 2.99Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.32Å; L9-R13 PolarHBondContact O-NE 3.17Å |
| 10 | L | 63 | Low | 69.8 | Low | 70 Ų | 70 | 105.9 Ų | 105.9 | 37% | 0.366 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -104 | -42.1 | 172.9 | -68.6 | 174.6 | 0 | 0 | 0 | 112.1 | F6 Y7 C8 Y12 | F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CE1-CD1 3.61Å; F6-L10 HydrophobicContact CZ-CD1 4.12Å; F6-L10 PolarHBondContact O-N 3.14Å; Y7-L10 PolarHBondContact O-N 2.81Å; C8-L10 PolarHBondContact O-N 3.39Å; L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 PolarHBondContact O-N 3.31Å |
| 11 | L | 64.3 | Low | 70.7 | Confident | 67 Ų | 67 | 111 Ų | 111 | 35% | 0.351 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.4 | -11.4 | -174.8 | -70 | 170.3 | 0 | 0 | 0 | 115.5 | Y7 L26 | Y7-L11 WeakPolarHBondContact O-CG 3.25Å; Y7-L11 PolarHBondContact O-N 2.97Å; L11-L26 HydrophobicContact CD2-CB 3.56Å |
| 12 | Y | 67.7 | Low | 72.4 | Confident | 159 Ų | 159 | 104.4 Ų | 104.4 | 62% | 0.624 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 11.1 | -176.6 | -78.3 | -87.8 | 0 | 0 | 0 | 114.3 | L10 | L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 PolarHBondContact O-N 3.31Å |
| 13 | R | 82.3 | Confident | 74.2 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 54% | 0.54 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 144.3 | 176.3 | -66.4 | -175.3 | 178.9 | -143.7 | -3.6 | 111.2 | L9 R23 L24 | L9-R13 PolarHBondContact O-NE 3.17Å; R13-R23 CarbonylContact O-C 3.59Å; R13-R23 WeakPolarHBondContact O-CA 3.43Å; R13-L24 HydrophobicContact CB-CB 4.49Å; R13-L24 HydrophobicContact CB-CD1 4.06Å; R13-L24 PolarHBondContact O-N 3.05Å |
| 14 | E | 87 | Confident | 75.6 | Confident | 155 Ų | 155 | 103 Ų | 103 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | B | Isolated β-bridge | trans | -71.1 | 156.5 | 172.3 | -60 | -173.2 | 153.3 | 0 | 0 | 110.8 | I16 | E14-I16 PolarHBondContact O-N 3.4Å |
| 15 | C | 88.5 | Confident | 76.9 | Confident | 32 Ų | 32 | 104.5 Ų | 104.5 | 22% | 0.216 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 127.7 | 179.5 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | T17 C20 G22 L24 | C15-T17 PolarHBondContact O-N 3.09Å; C15-C20 HydrophobicContact CB-CB 3.95Å; C15-C20 VanDerWaalsContact SG-SG 3.61Å; C15-G22 WeakPolarHBondContact CB-O 3.43Å; C15-G22 PolarHBondContact N-O 3.21Å; C15-L24 HydrophobicContact CB-CD2 4.47Å |
| 16 | I | 87.7 | Confident | 78.7 | Confident | 147 Ų | 147 | 105.7 Ų | 105.7 | 75% | 0.754 | 54% | 0.542 | S | S | * | . | | | trans | -70.9 | -12.2 | -179.9 | 61.8 | 173.2 | 0 | 0 | 0 | 113.7 | E14 P18 | E14-I16 PolarHBondContact O-N 3.4Å; I16-P18 WeakPolarHBondContact O-CD 3.48Å |
| 17 | T | 87.2 | Confident | 80.3 | Confident | 48 Ų | 48 | 109.1 Ų | 109.1 | 29% | 0.294 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -68.9 | 120.9 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | C15 G19 C20 Y136 | C15-T17 PolarHBondContact O-N 3.09Å; T17-G19 PolarHBondContact O-N 3.42Å; T17-C20 HydrophobicContact CG2-CB 4.28Å; T17-C20 VanDerWaalsContact O-CB 3.25Å; T17-C20 WeakPolarHBondContact O-CB 3.42Å; T17-C20 PolarHBondContact O-N 2.81Å; T17-Y136 WeakPolarHBondContact CG2-OH 3.25Å |
| 18 | P | 85.3 | Confident | 82 | Confident | 111 Ų | 111 | 108 Ų | 108 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 130.5 | 178.6 | -28.6 | 36.4 | 0 | 0 | 0 | 112.8 | I16 C20 | I16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-C20 VanDerWaalsContact C-N 3.28Å; P18-C20 PolarHBondContact O-N 3.49Å |
| 19 | G | 89.8 | Confident | 84 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 89% | 0.887 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -12.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T17 K21 | T17-G19 PolarHBondContact O-N 3.42Å; G19-K21 PolarHBondContact O-N 3.3Å |
| 20 | C | 90.5 | Very high | 85.8 | Confident | 58 Ų | 58 | 107.7 Ų | 107.7 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | | | trans | -82.9 | 110.2 | 178.4 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | C15 T17 P18 G22 | C15-C20 HydrophobicContact CB-CB 3.95Å; C15-C20 VanDerWaalsContact SG-SG 3.61Å; T17-C20 HydrophobicContact CG2-CB 4.28Å; T17-C20 VanDerWaalsContact O-CB 3.25Å; T17-C20 WeakPolarHBondContact O-CB 3.42Å; T17-C20 PolarHBondContact O-N 2.81Å; P18-C20 VanDerWaalsContact C-N 3.28Å; P18-C20 PolarHBondContact O-N 3.49Å; C20-G22 PolarHBondContact O-N 2.97Å; C20-G22 VanDerWaalsContact O-N 3.17Å |
| 21 | K | 89.6 | Confident | 87.4 | Confident | 212 Ų | 212 | 105.4 Ų | 105.4 | 92% | 0.922 | 53% | 0.53 | S | S | * | . | | | trans | -79.2 | 16.5 | 173.6 | -59.6 | -175.7 | -179.9 | -179.5 | 0 | 113.9 | G19 | G19-K21 PolarHBondContact O-N 3.3Š|
| 22 | G | 90 | Very high | 88.9 | Confident | 28 Ų | 28 | 105 Ų | 105 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | | | trans | -73.5 | 169.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C15 C20 | C15-G22 WeakPolarHBondContact CB-O 3.43Å; C15-G22 PolarHBondContact N-O 3.21Å; C20-G22 PolarHBondContact O-N 2.97Å; C20-G22 VanDerWaalsContact O-N 3.17Å |
| 23 | R | 88.3 | Confident | 90.2 | Very high | 167 Ų | 167 | 102.2 Ų | 102.2 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | B | Isolated β-bridge | trans | -113.2 | 145.7 | 169.9 | -66.3 | -177.3 | 178.9 | -178.7 | -0.9 | 110.3 | R13 I25 | R13-R23 CarbonylContact O-C 3.59Å; R13-R23 WeakPolarHBondContact O-CA 3.43Å; R23-I25 PolarHBondContact O-N 3.41Å |
| 24 | L | 88.6 | Confident | 90.9 | Very high | 67 Ų | 67 | 97.7 Ų | 97.7 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | | | trans | -78.4 | 109.7 | 179.1 | -63.4 | -179.7 | 0 | 0 | 0 | 110.5 | R13 C15 | R13-L24 HydrophobicContact CB-CB 4.49Å; R13-L24 HydrophobicContact CB-CD1 4.06Å; R13-L24 PolarHBondContact O-N 3.05Å; C15-L24 HydrophobicContact CB-CD2 4.47Å |
| 25 | I | 87.7 | Confident | 91.3 | Very high | 140 Ų | 140 | 97.9 Ų | 97.9 | 72% | 0.718 | 52% | 0.523 | S | S | * | . | | | trans | -93.9 | 125.6 | 173.2 | -58.1 | 174.7 | 0 | 0 | 0 | 108.3 | R23 R27 | R23-I25 PolarHBondContact O-N 3.41Å; I25-R27 PolarHBondContact O-N 2.77Å |
| 26 | L | 88.4 | Confident | 91.7 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | | | trans | -69.6 | 124 | 172.3 | -175.6 | 64 | 0 | 0 | 0 | 109.5 | Y7 L11 | Y7-L26 HydrophobicContact CE1-CD2 4.49Å; L11-L26 HydrophobicContact CD2-CB 3.56Å |
| 27 | R | 90.8 | Very high | 92.1 | Very high | 207 Ų | 207 | 93.7 Ų | 93.7 | 78% | 0.781 | 51% | 0.505 | S | S | * | . | | | trans | -87 | 111.3 | 165 | -72.8 | -70.2 | -177.5 | 167 | -0.6 | 108.4 | I25 | I25-R27 PolarHBondContact O-N 2.77Š|
| 28 | N | 93 | Very high | 92.6 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | | | trans | -71.6 | 140.8 | 171.9 | -66.9 | 56.2 | 0 | 0 | 0 | 110 | | |
| 29 | C | 95.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 93.4 Ų | 93.4 | 12% | 0.115 | 49% | 0.494 | C | S | . | . | | | trans | -72.2 | 138.7 | 166.1 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | P36 V37 D57 H58 | C29-P36 HydrophobicContact CB-CB 4.19Å; C29-P36 WeakPolarHBondContact O-CA 3.45Å; C29-P36 WeakPolarHBondContact O-CG 3.49Å; C29-V37 PolarHBondContact SG-N 3.38Å; C29-V37 VanDerWaalsContact SG-N 3.36Å; C29-D57 VanDerWaalsContact CA-OD1 3.25Å; C29-D57 WeakPolarHBondContact CA-OD1 3.21Å; C29-D57 PolarHBondContact SG-OD1 3.46Å; C29-H58 VanDerWaalsContact CB-CD2 3.46Å; C29-H58 WeakPolarHBondContact CB-CD2 3.48Å |
| 30 | R | 96.3 | Very high | 93.5 | Very high | 160 Ų | 160 | 94.3 Ų | 94.3 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | | | trans | -131.2 | 10.3 | 173.3 | -61.7 | -174.1 | 171.1 | -176.9 | -4.7 | 112.9 | H32 G34 Y35 D57 | R30-H32 PolarHBondContact O-N 3.02Å; R30-G34 WeakPolarHBondContact CB-O 3.46Å; R30-G34 WeakPolarHBondContact CG-O 3.37Å; R30-G34 CarbonylContact O-C 3.57Å; R30-G34 VanDerWaalsContact O-CA 3.28Å; R30-G34 WeakPolarHBondContact O-CA 3.41Å; R30-G34 PolarHBondContact O-N 2.93Å; R30-Y35 CarbonylContact C-O 3.59Å; R30-Y35 VanDerWaalsContact CA-O 3.22Å; R30-Y35 WeakPolarHBondContact CA-O 3.43Å; R30-D57 WeakPolarHBondContact CA-OD2 3.3Å; R30-D57 WeakPolarHBondContact CB-OD2 3.13Å; R30-D57 PolarHBondContact N-OD1 3.37Å; R30-D57 PolarHBondContact N-OD2 3.44Å |
| 31 | G | 96 | Very high | 93.8 | Very high | 22 Ų | 22 | 100.7 Ų | 100.7 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -11 | -176.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | Y35 G54 E55 D57 | G31-Y35 PolarHBondContact N-O 3.33Å; G31-G54 VanDerWaalsContact O-CA 3.26Å; G31-G54 WeakPolarHBondContact O-CA 3.45Å; G31-E55 WeakPolarHBondContact CA-O 3.39Å; G31-E55 PolarHBondContact O-N 3.42Å; G31-E55 VanDerWaalsContact O-N 3.11Å; G31-D57 PolarHBondContact N-OD1 3.26Å |
| 32 | H | 96.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -113.1 | 87.1 | 170.1 | -175.7 | 28 | 0 | 0 | 0 | 110.4 | R30 G34 Y35 K53 | R30-H32 PolarHBondContact O-N 3.02Å; H32-G34 PolarHBondContact O-N 3.1Å; H32-G34 VanDerWaalsContact O-N 3.12Å; H32-Y35 PolarHBondContact N-O 3.4Å; H32-Y35 WeakPolarHBondContact O-CA 3.44Å; H32-Y35 WeakPolarHBondContact O-CB 3.43Å; H32-Y35 PolarHBondContact O-N 3.12Å; H32-K53 VanDerWaalsContact NE2-CE 3.31Å; H32-K53 WeakPolarHBondContact NE2-CE 3.27Å |
| 33 | S | 95.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 105 Ų | 105 | 70% | 0.699 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 34.5 | 174.6 | -51.4 | 0 | 0 | 0 | 0 | 114 | | |
| 34 | G | 95.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 98.1 Ų | 98.1 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -13.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R30 H32 | R30-G34 WeakPolarHBondContact CB-O 3.46Å; R30-G34 WeakPolarHBondContact CG-O 3.37Å; R30-G34 CarbonylContact O-C 3.57Å; R30-G34 VanDerWaalsContact O-CA 3.28Å; R30-G34 WeakPolarHBondContact O-CA 3.41Å; R30-G34 PolarHBondContact O-N 2.93Å; H32-G34 PolarHBondContact O-N 3.1Å; H32-G34 VanDerWaalsContact O-N 3.12Å |
| 35 | Y | 95.8 | Very high | 95.2 | Very high | 158 Ų | 158 | 102.5 Ų | 102.5 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | B | Isolated β-bridge | trans | -100.6 | 159.4 | 177.9 | -60.3 | -89.3 | 0 | 0 | 0 | 111.6 | R30 G31 H32 | R30-Y35 CarbonylContact C-O 3.59Å; R30-Y35 VanDerWaalsContact CA-O 3.22Å; R30-Y35 WeakPolarHBondContact CA-O 3.43Å; G31-Y35 PolarHBondContact N-O 3.33Å; H32-Y35 PolarHBondContact N-O 3.4Å; H32-Y35 WeakPolarHBondContact O-CA 3.44Å; H32-Y35 WeakPolarHBondContact O-CB 3.43Å; H32-Y35 PolarHBondContact O-N 3.12Å |
| 36 | P | 96.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 98.7 Ų | 98.7 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 143.8 | 173.9 | -22.8 | 33.2 | 0 | 0 | 0 | 112.3 | C29 T38 | C29-P36 HydrophobicContact CB-CB 4.19Å; C29-P36 WeakPolarHBondContact O-CA 3.45Å; C29-P36 WeakPolarHBondContact O-CG 3.49Å; P36-T38 PolarHBondContact O-N 3.26Å |
| 37 | V | 96.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 96.4 Ų | 96.4 | 11% | 0.109 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 133.9 | 168.7 | 172.5 | 0 | 0 | 0 | 0 | 110 | C29 K53 G54 E55 | C29-V37 PolarHBondContact SG-N 3.38Å; C29-V37 VanDerWaalsContact SG-N 3.36Å; V37-K53 WeakPolarHBondContact CA-O 3.29Å; V37-G54 VanDerWaalsContact CG2-C 3.49Å; V37-E55 WeakPolarHBondContact CG2-O 3.46Å |
| 38 | T | 96.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 89.7 Ų | 89.7 | 30% | 0.301 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.7 | 178.5 | 57 | 0 | 0 | 0 | 0 | 110.9 | P36 F40 A52 K53 | P36-T38 PolarHBondContact O-N 3.26Å; T38-F40 WeakPolarHBondContact OG1-CE2 3.24Å; T38-A52 CarbonylContact O-C 3.56Å; T38-A52 WeakPolarHBondContact O-CA 3.41Å; T38-K53 PolarHBondContact N-O 3.25Å; T38-K53 PolarHBondContact O-N 2.77Å |
| 39 | H | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.5 | 170.6 | -56.1 | -69.5 | 0 | 0 | 0 | 110.4 | E51 A52 H56 | H39-E51 CarbonylContact C-O 2.95Å; H39-E51 WeakPolarHBondContact CA-O 3.29Å; H39-A52 WeakPolarHBondContact ND1-CB 3.37Å; H39-H56 AromaticContact CE1-NE2 3.95Å; H39-H56 AromaticContact NE2-NE2 3.66Å |
| 40 | F | 96.9 | Very high | 96.4 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.5 | 173.7 | -52.7 | -85.2 | 0 | 0 | 0 | 109 | T38 F50 E51 K53 | T38-F40 WeakPolarHBondContact OG1-CE2 3.24Å; F40-F50 WeakPolarHBondContact O-CA 3.45Å; F40-E51 HydrophobicContact CB-CB 4.35Å; F40-E51 PolarHBondContact N-O 2.85Å; F40-E51 PolarHBondContact O-N 3.43Å; F40-K53 HydrophobicContact CE2-CB 4.35Å |
| 41 | W | 97.1 | Very high | 96.3 | Very high | 192 Ų | 192 | 93.8 Ų | 93.8 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.1 | 171.2 | 56 | 79.6 | 0 | 0 | 0 | 110.4 | V48 Y49 F50 | W41-V48 HydrophobicContact CB-CG1 4.17Å; W41-Y49 CarbonylContact C-O 3.44Å; W41-Y49 VanDerWaalsContact CA-O 3.24Å; W41-Y49 WeakPolarHBondContact CA-O 3.44Å; W41-F50 HydrophobicContact CB-CD1 3.79Å; W41-F50 HydrophobicContact CB-CE1 3.84Å |
| 42 | R | 96.7 | Very high | 96.4 | Very high | 184 Ų | 184 | 95.6 Ų | 95.6 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.8 | 179.7 | -179.1 | 178.2 | 178.4 | -178.2 | -0.7 | 109.6 | Y49 | R42-Y49 PolarHBondContact N-O 3.35Å; R42-Y49 PolarHBondContact O-N 3.26Å |
| 43 | F | 97.4 | Very high | 96.4 | Very high | 148 Ų | 148 | 97.5 Ų | 97.5 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.9 | 165.9 | -175.9 | -106.1 | 0 | 0 | 0 | 109.6 | A47 V48 | F43-A47 WeakPolarHBondContact CA-O 3.45Å; F43-A47 WeakPolarHBondContact CD2-O 3.46Å; F43-V48 HydrophobicContact CD2-CG2 3.98Å |
| 44 | A | 95.2 | Very high | 96.4 | Very high | 21 Ų | 21 | 94.4 Ų | 94.4 | 17% | 0.174 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 149.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G46 A47 Y49 | A44-G46 PolarHBondContact O-N 3.25Å; A44-A47 PolarHBondContact N-O 2.81Å; A44-A47 PolarHBondContact O-N 3.22Å; A44-Y49 HydrophobicContact CB-CD2 4.21Å; A44-Y49 HydrophobicContact CB-CE2 3.91Å |
| 45 | N | 95.7 | Very high | 96.5 | Very high | 160 Ų | 160 | 99.9 Ų | 99.9 | 86% | 0.856 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 28.6 | 173.4 | -56.7 | 2 | 0 | 0 | 0 | 115.1 | A47 | N45-A47 VanDerWaalsContact C-N 3.32Š|
| 46 | G | 95.5 | Very high | 96.5 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -6.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A44 | A44-G46 PolarHBondContact O-N 3.25Š|
| 47 | A | 96 | Very high | 96.4 | Very high | 38 Ų | 38 | 97.3 Ų | 97.3 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 160.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 A44 N45 Y49 | F43-A47 WeakPolarHBondContact CA-O 3.45Å; F43-A47 WeakPolarHBondContact CD2-O 3.46Å; A44-A47 PolarHBondContact N-O 2.81Å; A44-A47 PolarHBondContact O-N 3.22Å; N45-A47 VanDerWaalsContact C-N 3.32Å; A47-Y49 HydrophobicContact CB-CE2 4.08Å |
| 48 | V | 96.9 | Very high | 96.3 | Very high | 67 Ų | 67 | 99 Ų | 99 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.5 | 165.2 | -174 | 0 | 0 | 0 | 0 | 108.4 | W41 F43 F50 | W41-V48 HydrophobicContact CB-CG1 4.17Å; F43-V48 HydrophobicContact CD2-CG2 3.98Å; V48-F50 HydrophobicContact CB-CE2 3.88Å; V48-F50 HydrophobicContact CB-CZ 4.12Å; V48-F50 HydrophobicContact CG1-CD2 4.17Å; V48-F50 HydrophobicContact CG1-CE1 3.96Å; V48-F50 HydrophobicContact CG1-CE2 3.55Å; V48-F50 HydrophobicContact CG1-CZ 3.44Å; V48-F50 VanDerWaalsContact CG1-CZ 3.44Å |
| 49 | Y | 96.4 | Very high | 96.1 | Very high | 124 Ų | 124 | 104 Ų | 104 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.2 | 170.9 | -61.4 | -95.4 | 0 | 0 | 0 | 108.9 | W41 R42 A44 A47 | W41-Y49 CarbonylContact C-O 3.44Å; W41-Y49 VanDerWaalsContact CA-O 3.24Å; W41-Y49 WeakPolarHBondContact CA-O 3.44Å; R42-Y49 PolarHBondContact N-O 3.35Å; R42-Y49 PolarHBondContact O-N 3.26Å; A44-Y49 HydrophobicContact CB-CD2 4.21Å; A44-Y49 HydrophobicContact CB-CE2 3.91Å; A47-Y49 HydrophobicContact CB-CE2 4.08Å |
| 50 | F | 96.2 | Very high | 95.9 | Very high | 118 Ų | 118 | 108.3 Ų | 108.3 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.9 | 177.8 | -64.7 | -87.2 | 0 | 0 | 0 | 109.9 | F40 W41 V48 | F40-F50 WeakPolarHBondContact O-CA 3.45Å; W41-F50 HydrophobicContact CB-CD1 3.79Å; W41-F50 HydrophobicContact CB-CE1 3.84Å; V48-F50 HydrophobicContact CB-CE2 3.88Å; V48-F50 HydrophobicContact CB-CZ 4.12Å; V48-F50 HydrophobicContact CG1-CD2 4.17Å; V48-F50 HydrophobicContact CG1-CE1 3.96Å; V48-F50 HydrophobicContact CG1-CE2 3.55Å; V48-F50 HydrophobicContact CG1-CZ 3.44Å; V48-F50 VanDerWaalsContact CG1-CZ 3.44Å |
| 51 | E | 96.1 | Very high | 95.5 | Very high | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.4 | 177.3 | -169.8 | -171.3 | 141.6 | 0 | 0 | 108.6 | H39 F40 | H39-E51 CarbonylContact C-O 2.95Å; H39-E51 WeakPolarHBondContact CA-O 3.29Å; F40-E51 HydrophobicContact CB-CB 4.35Å; F40-E51 PolarHBondContact N-O 2.85Å; F40-E51 PolarHBondContact O-N 3.43Å |
| 52 | A | 96.3 | Very high | 95 | Very high | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T38 H39 | T38-A52 CarbonylContact O-C 3.56Å; T38-A52 WeakPolarHBondContact O-CA 3.41Å; H39-A52 WeakPolarHBondContact ND1-CB 3.37Å |
| 53 | K | 97 | Very high | 94.3 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.2 | -179.7 | -158 | 179.5 | -174.1 | -158.4 | 0 | 111.1 | H32 V37 T38 F40 | H32-K53 VanDerWaalsContact NE2-CE 3.31Å; H32-K53 WeakPolarHBondContact NE2-CE 3.27Å; V37-K53 WeakPolarHBondContact CA-O 3.29Å; T38-K53 PolarHBondContact N-O 3.25Å; T38-K53 PolarHBondContact O-N 2.77Å; F40-K53 HydrophobicContact CE2-CB 4.35Å |
| 54 | G | 96.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 101.4 Ų | 101.4 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | S | Bend | trans | 88.6 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G31 V37 | G31-G54 VanDerWaalsContact O-CA 3.26Å; G31-G54 WeakPolarHBondContact O-CA 3.45Å; V37-G54 VanDerWaalsContact CG2-C 3.49Å |
| 55 | E | 96.6 | Very high | 90.7 | Very high | 162 Ų | 162 | 104 Ų | 104 | 76% | 0.757 | 55% | 0.553 | S | S | * | * | | | trans | -118.7 | 140.4 | -176.5 | -167.7 | -160 | 160.9 | 0 | 0 | 110.8 | G31 V37 D57 | G31-E55 WeakPolarHBondContact CA-O 3.39Å; G31-E55 PolarHBondContact O-N 3.42Å; G31-E55 VanDerWaalsContact O-N 3.11Å; V37-E55 WeakPolarHBondContact CG2-O 3.46Å; E55-D57 PolarHBondContact O-N 3.49Å |
| 56 | H | 96.7 | Very high | 88.3 | Confident | 93 Ų | 93 | 106 Ų | 106 | 43% | 0.431 | 56% | 0.555 | S | S | . | * | | | trans | -71.3 | 99.8 | -174 | -74.2 | -77.7 | 0 | 0 | 0 | 113.6 | H39 H58 | H39-H56 AromaticContact CE1-NE2 3.95Å; H39-H56 AromaticContact NE2-NE2 3.66Å; H56-H58 AromaticContact CG-NE2 3.85Å; H56-H58 AromaticContact ND1-CE1 3.71Å; H56-H58 AromaticContact ND1-NE2 3.05Å; H56-H58 PolarHBondContact ND1-NE2 3.29Å; H56-H58 PolarHBondContact O-N 3.25Å |
| 57 | D | 94.8 | Very high | 85.7 | Confident | 86 Ų | 86 | 106.9 Ų | 106.9 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | | | trans | -67.9 | 20.6 | 175.1 | 67.8 | -48 | 0 | 0 | 0 | 115.5 | C29 R30 G31 E55 | C29-D57 VanDerWaalsContact CA-OD1 3.25Å; C29-D57 WeakPolarHBondContact CA-OD1 3.21Å; C29-D57 PolarHBondContact SG-OD1 3.46Å; R30-D57 WeakPolarHBondContact CA-OD2 3.3Å; R30-D57 WeakPolarHBondContact CB-OD2 3.13Å; R30-D57 PolarHBondContact N-OD1 3.37Å; R30-D57 PolarHBondContact N-OD2 3.44Å; G31-D57 PolarHBondContact N-OD1 3.26Å; E55-D57 PolarHBondContact O-N 3.49Å |
| 58 | H | 93.8 | Very high | 83.1 | Confident | 53 Ų | 53 | 111.4 Ų | 111.4 | 25% | 0.245 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -148.2 | 153.1 | -175.7 | 64.8 | 81 | 0 | 0 | 0 | 112.1 | C29 H56 R60 | C29-H58 VanDerWaalsContact CB-CD2 3.46Å; C29-H58 WeakPolarHBondContact CB-CD2 3.48Å; H56-H58 AromaticContact CG-NE2 3.85Å; H56-H58 AromaticContact ND1-CE1 3.71Å; H56-H58 AromaticContact ND1-NE2 3.05Å; H56-H58 PolarHBondContact ND1-NE2 3.29Å; H56-H58 PolarHBondContact O-N 3.25Å; H58-R60 PolarHBondContact O-N 3.34Å |
| 59 | N | 92.6 | Very high | 80.3 | Confident | 153 Ų | 153 | 112 Ų | 112 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.5 | 173.5 | -62.1 | 19.1 | 0 | 0 | 0 | 110.7 | | |
| 60 | R | 92.7 | Very high | 78.1 | Confident | 194 Ų | 194 | 113 Ų | 113 | 73% | 0.732 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.3 | 177.3 | -172.1 | 179.2 | -176.3 | -130.8 | 6.6 | 109.7 | H58 | H58-R60 PolarHBondContact O-N 3.34Š|
| 61 | P | 89.9 | Confident | 75.6 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 62% | 0.617 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 158.3 | 176.7 | 28.9 | -35.4 | 0 | 0 | 0 | 111.1 | | |
| 62 | S | 85.3 | Confident | 73 | Confident | 91 Ų | 91 | 112.4 Ų | 112.4 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.2 | 170.6 | 52 | 0 | 0 | 0 | 0 | 110.8 | K64 | S62-K64 PolarHBondContact O-N 3.19Š|
| 63 | L | 82.6 | Confident | 70.3 | Confident | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.2 | 174.4 | -73.8 | 163.5 | 0 | 0 | 0 | 108.9 | T65 | L63-T65 PolarHBondContact O-N 3.43Š|
| 64 | K | 68.4 | Low | 67.6 | Low | 182 Ų | 182 | 116 Ų | 116 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | | | trans | -70.6 | 93.7 | 171.4 | -70.4 | -178 | -179.6 | 176.2 | 0 | 109.1 | S62 F66 | S62-K64 PolarHBondContact O-N 3.19Å; K64-F66 VanDerWaalsContact O-CD2 3.27Å; K64-F66 WeakPolarHBondContact O-CD2 3.46Å; K64-F66 PolarHBondContact O-N 3.27Å |
| 65 | T | 49.4 | Very low | 64.7 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 45% | 0.454 | 65% | 0.649 | S | S | . | * | | | trans | -66.7 | 98.9 | 173.7 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | L63 G67 L68 | L63-T65 PolarHBondContact O-N 3.43Å; T65-G67 PolarHBondContact O-N 3.08Å; T65-L68 HydrophobicContact CG2-CB 3.78Å; T65-L68 HydrophobicContact CG2-CD1 3.98Å; T65-L68 HydrophobicContact CG2-CG 3.99Å; T65-L68 PolarHBondContact O-N 2.99Å |
| 66 | F | 45.1 | Very low | 61.6 | Low | 202 Ų | 202 | 117.4 Ų | 117.4 | 89% | 0.886 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 103.2 | -178.3 | -68.2 | -88.4 | 0 | 0 | 0 | 111 | K64 | K64-F66 VanDerWaalsContact O-CD2 3.27Å; K64-F66 WeakPolarHBondContact O-CD2 3.46Å; K64-F66 PolarHBondContact O-N 3.27Å |
| 67 | G | 40.9 | Very low | 58.7 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.7 | 1.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T65 | T65-G67 PolarHBondContact O-N 3.08Š|
| 68 | L | 42.2 | Very low | 55.9 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | | | trans | -109.8 | 113.7 | 162.5 | -62.1 | -176.9 | 0 | 0 | 0 | 108.7 | T65 | T65-L68 HydrophobicContact CG2-CB 3.78Å; T65-L68 HydrophobicContact CG2-CD1 3.98Å; T65-L68 HydrophobicContact CG2-CG 3.99Å; T65-L68 PolarHBondContact O-N 2.99Å |
| 69 | S | 37.3 | Very low | 53.1 | Low | 80 Ų | 80 | 123.8 Ų | 123.8 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | | | trans | -72.2 | 125.8 | 169.9 | 43.9 | 0 | 0 | 0 | 0 | 109.6 | T71 | S69-T71 WeakPolarHBondContact CB-OG1 3.4Å; S69-T71 PolarHBondContact O-N 3.46Å; S69-T71 PolarHBondContact O-OG1 2.94Å; S69-T71 PolarHBondContact OG-OG1 3.04Å; S69-T71 VanDerWaalsContact OG-OG1 3.09Å |
| 70 | E | 50.6 | Low | 50.3 | Low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 65.8 | 170.6 | -65.6 | -178.2 | 141.1 | 0 | 0 | 109.8 | | |
| 71 | T | 42.7 | Very low | 47.6 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -18.2 | 179.5 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | S69 | S69-T71 WeakPolarHBondContact CB-OG1 3.4Å; S69-T71 PolarHBondContact O-N 3.46Å; S69-T71 PolarHBondContact O-OG1 2.94Å; S69-T71 PolarHBondContact OG-OG1 3.04Å; S69-T71 VanDerWaalsContact OG-OG1 3.09Å |
| 72 | D | 41.5 | Very low | 44.9 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -103.7 | 7.3 | -163.3 | -61.9 | 16.5 | 0 | 0 | 0 | 112.6 | V74 | D72-V74 PolarHBondContact O-N 3.41Š|
| 73 | T | 40 | Very low | 42.6 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -98.2 | 40.5 | 178.6 | 45 | 0 | 0 | 0 | 0 | 113.2 | | |
| 74 | V | 40.6 | Very low | 40.2 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.9 | 124.1 | 167.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | D72 | D72-V74 PolarHBondContact O-N 3.41Š|
| 75 | T | 34.5 | Very low | 38.7 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 68.9 | 108.4 | -166.6 | -18.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 76 | T | 31.2 | Very low | 37.9 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | | -157.1 | 98.9 | 54.9 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | T78 | T76-T78 VanDerWaalsContact CG2-OG1 3.32Å; T76-T78 WeakPolarHBondContact CG2-OG1 3.27Å |
| 77 | T | 35.6 | Very low | 37.7 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 95% | 0.945 | 74% | 0.735 | S | S | * | * | | | trans | -105 | 47.4 | 165.2 | -31.9 | 0 | 0 | 0 | 0 | 110 | T79 | T77-T79 PolarHBondContact O-N 3.32Å; T77-T79 VanDerWaalsContact O-N 3.12Å |
| 78 | T | 36 | Very low | 37.4 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | -75.2 | 102.4 | -177.5 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | T76 | T76-T78 VanDerWaalsContact CG2-OG1 3.32Å; T76-T78 WeakPolarHBondContact CG2-OG1 3.27Å |
| 79 | T | 35.6 | Very low | 37.2 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | | | trans | 40.5 | 93.6 | 152.3 | -30.5 | 0 | 0 | 0 | 0 | 115.9 | T77 T81 | T77-T79 PolarHBondContact O-N 3.32Å; T77-T79 VanDerWaalsContact O-N 3.12Å; T79-T81 VanDerWaalsContact C-N 3.28Å; T79-T81 VanDerWaalsContact CG2-OG1 3.25Å; T79-T81 WeakPolarHBondContact CG2-OG1 3.34Å; T79-T81 PolarHBondContact O-N 3.27Å; T79-T81 PolarHBondContact O-OG1 3.05Å |
| 80 | T | 33.7 | Very low | 37 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 97% | 0.969 | 75% | 0.748 | S | S | * | * | | | trans | -59.7 | 88.3 | 168.2 | -17.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 81 | T | 35.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -117.6 | 114 | -175 | -35.6 | 0 | 0 | 0 | 0 | 107.7 | T79 I83 | T79-T81 VanDerWaalsContact C-N 3.28Å; T79-T81 VanDerWaalsContact CG2-OG1 3.25Å; T79-T81 WeakPolarHBondContact CG2-OG1 3.34Å; T79-T81 PolarHBondContact O-N 3.27Å; T79-T81 PolarHBondContact O-OG1 3.05Å; T81-I83 PolarHBondContact O-N 2.92Å |
| 82 | T | 33.3 | Very low | 35.9 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | -66.9 | 116.9 | -169.8 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 83 | I | 37.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | -133.3 | 104.9 | 158.1 | -54.8 | -179.9 | 0 | 0 | 0 | 107.9 | T81 | T81-I83 PolarHBondContact O-N 2.92Š|
| 84 | P | 31.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | trans | -79.9 | 135 | 169.5 | 32.6 | -31.2 | 0 | 0 | 0 | 109.7 | | |
| 85 | N | 36.9 | Very low | 35.2 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -140.1 | 106.2 | 166.9 | -91.8 | -41.9 | 0 | 0 | 0 | 109.7 | | |
| 86 | T | 34.3 | Very low | 35.4 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 127.5 | 165.5 | 34 | 0 | 0 | 0 | 0 | 109.7 | | |
| 87 | M | 40.1 | Very low | 35.6 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | -127.5 | 105.4 | 163.6 | -66.9 | -166.9 | -170.9 | 0 | 0 | 108.8 | | |
| 88 | N | 34.5 | Very low | 35.8 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -70.5 | 134.1 | 169.2 | -73.4 | -9.6 | 0 | 0 | 0 | 109.1 | | |
| 89 | L | 37.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -112.1 | 80.9 | 167.9 | -143.5 | 79.8 | 0 | 0 | 0 | 110 | V91 | L89-V91 PolarHBondContact O-N 3.11Š|
| 90 | N | 33.5 | Very low | 36.1 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | 116.1 | 167.3 | -81.7 | 9.7 | 0 | 0 | 0 | 108.9 | | |
| 91 | V | 36.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -104.6 | 108.5 | 170 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | L89 | L89-V91 PolarHBondContact O-N 3.11Š|
| 92 | T | 32.9 | Very low | 36.5 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -87.7 | 113.7 | -177.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 93 | T | 37.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -139 | 94.6 | 167 | -34.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 94 | A | 34.1 | Very low | 36.9 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | trans | 24.2 | 117 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 95 | T | 37.1 | Very low | 37.2 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | 171.1 | 159.8 | 102 | 35.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 96 | T | 38.3 | Very low | 37.3 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 56.5 | 114.1 | 168.7 | 53.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 97 | P | 35.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -113.1 | 148.8 | 172.1 | 38.4 | -29.3 | 0 | 0 | 0 | 114.5 | | |
| 98 | T | 39.3 | Very low | 37.5 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -147.9 | 110.5 | 162.2 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 99 | N | 37 | Very low | 37.4 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | 55.1 | 130.4 | 142.8 | -81 | -16.3 | 0 | 0 | 0 | 124.2 | | |
| 100 | V | 41 | Very low | 37.2 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | 63.2 | 145.9 | 143.8 | -52.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 101 | D | 38.5 | Very low | 37.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -154.3 | 164.5 | -1.9 | -135.3 | -47 | 0 | 0 | 0 | 113.2 | | |
| 102 | S | 40.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | 32.5 | 152.3 | 141.7 | -71.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 103 | L | 39.4 | Very low | 37.4 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | cis | -179.1 | 146.4 | -9.4 | 174.2 | 65 | 0 | 0 | 0 | 111.4 | | |
| 104 | V | 39.7 | Very low | 37.3 | Very low | 118 Ų | 118 | 124 Ų | 124 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 63.9 | 138 | 161.9 | 156.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 105 | T | 36.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | cis | 109.7 | 120.9 | 17.8 | -55.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 106 | G | 39.8 | Very low | 37.5 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | 149 | 96.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 107 | I | 40.6 | Very low | 37.1 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | | 94.2 | 97.1 | 75.3 | -70.8 | 166.7 | 0 | 0 | 0 | 114.6 | | |
| 108 | T | 37.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | | | trans | 46.2 | 126.2 | 147.3 | 54.1 | 0 | 0 | 0 | 0 | 125 | | |
| 109 | T | 32.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | | 53.2 | 133.2 | 122.7 | -20.1 | 0 | 0 | 0 | 0 | 119 | | |
| 110 | T | 34.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | cis | -171.7 | 178.7 | 47.7 | -36.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 111 | T | 36.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | | | trans | 75.7 | 95.1 | 152.7 | 32.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 112 | I | 33.2 | Very low | 36.2 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | | 38.2 | 118.1 | 120.2 | -53.7 | 167 | 0 | 0 | 0 | 119.3 | | |
| 113 | T | 36 | Very low | 35.8 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | -162.7 | 161.4 | 128.6 | 3.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 114 | T | 36 | Very low | 35.4 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -135.5 | -177 | -177.3 | 58 | 0 | 0 | 0 | 0 | 110.1 | | |
| 115 | P | 38.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | | -124.1 | 160.5 | -78.9 | 37.7 | -23.3 | 0 | 0 | 0 | 113.3 | | |
| 116 | V | 37.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -139.5 | 140.9 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 117 | S | 30.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -115.6 | 167.7 | 174.8 | -142 | 0 | 0 | 0 | 0 | 108 | | |
| 118 | P | 39.7 | Very low | 33.4 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | | | cis | -146.8 | -167.9 | 23.9 | 44.4 | -23.3 | 0 | 0 | 0 | 117.2 | | |
| 119 | D | 29.4 | Very low | 33 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 60.7 | 123.8 | 152.9 | -63.9 | -34 | 0 | 0 | 0 | 121.7 | | |
| 120 | I | 38.7 | Very low | 32.9 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | | | | -170.1 | 116.3 | 115.1 | -95.3 | 155.5 | 0 | 0 | 0 | 111.6 | | |
| 121 | K | 34.6 | Very low | 32.7 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | 31.1 | 121.5 | 146.4 | -67.2 | 172.3 | -178.6 | 166.6 | 0 | 121.7 | | |
| 122 | R | 29.9 | Very low | 32.4 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | | 114.6 | 133.2 | 109.5 | -92.6 | -178.7 | -178.7 | 158.2 | -2.6 | 121.3 | | |
| 123 | D | 30.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | 75.2 | 160.4 | 145.9 | -51.7 | -23.1 | 0 | 0 | 0 | 120.1 | | |
| 124 | L | 31.6 | Very low | 32 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 69.3 | 77.5 | -173.3 | -62.7 | 163.5 | 0 | 0 | 0 | 117 | | |
| 125 | N | 29.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | -162 | 82 | 150.8 | -104.5 | -43.5 | 0 | 0 | 0 | 112.8 | | |
| 126 | H | 27.7 | Very low | 31.2 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | -140.4 | 69.2 | 168.8 | -96.4 | -66.2 | 0 | 0 | 0 | 110.9 | | |
| 127 | L | 28.7 | Very low | 30.9 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | | | trans | -150.2 | 39.9 | 170.7 | -144.5 | 74.7 | 0 | 0 | 0 | 112.5 | N129 | L127-N129 PolarHBondContact O-N 3.42Š|
| 128 | T | 29.3 | Very low | 31.1 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 61% | 0.607 | 74% | 0.739 | S | S | * | * | | | trans | -77.5 | 92 | -178 | 40.4 | 0 | 0 | 0 | 0 | 112.3 | H130 | T128-H130 VanDerWaalsContact C-N 3.29Å; T128-H130 PolarHBondContact O-N 3.33Å |
| 129 | N | 29.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 151 Ų | 151 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | -65.6 | 80.6 | 170.8 | -175.8 | -2 | 0 | 0 | 0 | 111.4 | L127 N131 | L127-N129 PolarHBondContact O-N 3.42Å; N129-N131 VanDerWaalsContact C-N 3.29Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 PolarHBondContact OD1-ND2 3.32Å; N129-N131 VanDerWaalsContact OD1-ND2 3.08Å |
| 130 | H | 30.8 | Very low | 30.9 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -77.8 | 73 | -178.9 | -82.5 | -63.8 | 0 | 0 | 0 | 113 | T128 | T128-H130 VanDerWaalsContact C-N 3.29Å; T128-H130 PolarHBondContact O-N 3.33Å |
| 131 | N | 29.8 | Very low | 30.6 | Very low | 110 Ų | 110 | 151 Ų | 151 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | | | trans | -66.3 | 142.9 | 159.3 | -76.2 | -59.1 | 0 | 0 | 0 | 111.1 | N129 | N129-N131 VanDerWaalsContact C-N 3.29Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 PolarHBondContact OD1-ND2 3.32Å; N129-N131 VanDerWaalsContact OD1-ND2 3.08Å |
| 132 | N | 30.4 | Very low | 30.7 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | | | trans | 43.8 | 87.7 | 154.1 | -57.1 | -13.5 | 0 | 0 | 0 | 117 | | |
| 133 | N | 29.6 | Very low | 31 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | -128.6 | 116.8 | 163.4 | -145.6 | -8.8 | 0 | 0 | 0 | 111.2 | Q135 | N133-Q135 PolarHBondContact O-N 3.45Š|
| 134 | I | 30.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | trans | -80.9 | 96.2 | -179.4 | -60.3 | 176 | 0 | 0 | 0 | 108.1 | Y136 | I134-Y136 HydrophobicContact CB-CE2 4.38Å; I134-Y136 HydrophobicContact CG2-CD2 4.12Å; I134-Y136 HydrophobicContact CG2-CE2 3.77Å; I134-Y136 WeakPolarHBondContact O-CD2 3.46Å; I134-Y136 PolarHBondContact O-N 2.91Å |
| 135 | Q | 29.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | -74.6 | 105.3 | 173.7 | -72.3 | -166.3 | -7.3 | 0 | 0 | 110.9 | N133 I137 | N133-Q135 PolarHBondContact O-N 3.45Å; Q135-I137 PolarHBondContact O-N 3.44Å |
| 136 | Y | 29.4 | Very low | 31.9 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | | | trans | -73.6 | 99.3 | 166.9 | -71.5 | -94.6 | 0 | 0 | 0 | 109.5 | T17 I134 H138 | T17-Y136 WeakPolarHBondContact CG2-OH 3.25Å; I134-Y136 HydrophobicContact CB-CE2 4.38Å; I134-Y136 HydrophobicContact CG2-CD2 4.12Å; I134-Y136 HydrophobicContact CG2-CE2 3.77Å; I134-Y136 WeakPolarHBondContact O-CD2 3.46Å; I134-Y136 PolarHBondContact O-N 2.91Å; Y136-H138 PolarHBondContact O-N 3.37Å |
| 137 | I | 30.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | | | trans | -75.4 | 72 | 172.8 | -49.2 | 179.1 | 0 | 0 | 0 | 109.5 | Q135 H139 | Q135-I137 PolarHBondContact O-N 3.44Å; I137-H139 PolarHBondContact O-N 2.9Å; I137-H139 VanDerWaalsContact O-N 3.14Å; I137-H139 PolarHBondContact O-ND1 3.04Å |
| 138 | H | 33.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | | | trans | -71.5 | 104.3 | 166 | -164.4 | -45.9 | 0 | 0 | 0 | 107.9 | Y136 Q140 | Y136-H138 PolarHBondContact O-N 3.37Å; H138-Q140 PolarHBondContact O-N 3.41Å; H138-Q140 VanDerWaalsContact O-N 3.15Å |
| 139 | H | 31.9 | Very low | 34.3 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | | | trans | -61.5 | 120.6 | 171.6 | -75.9 | 59.7 | 0 | 0 | 0 | 108.6 | I137 | I137-H139 PolarHBondContact O-N 2.9Å; I137-H139 VanDerWaalsContact O-N 3.14Å; I137-H139 PolarHBondContact O-ND1 3.04Å |
| 140 | Q | 34.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | | | trans | -132.7 | 113.9 | 164 | -67.1 | -168 | -2.2 | 0 | 0 | 106.2 | H138 P142 | H138-Q140 PolarHBondContact O-N 3.41Å; H138-Q140 VanDerWaalsContact O-N 3.15Å; Q140-P142 VanDerWaalsContact O-CD 3.29Å; Q140-P142 WeakPolarHBondContact O-CD 3.35Å |
| 141 | N | 31.1 | Very low | 36.8 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | trans | -73.7 | 120.5 | 176.4 | -79.7 | -18.6 | 0 | 0 | 0 | 109.7 | H143 | N141-H143 PolarHBondContact O-N 3.46Š|
| 142 | P | 38.1 | Very low | 38 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | -85.2 | 94.7 | 160 | 28.5 | -16.2 | 0 | 0 | 0 | 108.1 | Q140 L144 | Q140-P142 VanDerWaalsContact O-CD 3.29Å; Q140-P142 WeakPolarHBondContact O-CD 3.35Å; P142-L144 PolarHBondContact O-N 3.15Å |
| 143 | H | 35.3 | Very low | 39 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | trans | -64.9 | 121.9 | 160.3 | -101.4 | -84.7 | 0 | 0 | 0 | 108.4 | N141 | N141-H143 PolarHBondContact O-N 3.46Š|
| 144 | L | 34.3 | Very low | 39.3 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -164.4 | 119.9 | 137.8 | -129.6 | 82.3 | 0 | 0 | 0 | 113.5 | P142 | P142-L144 PolarHBondContact O-N 3.15Š|
| 145 | H | 37.4 | Very low | 39.8 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | | | trans | 50 | 128.3 | 147.8 | -80.5 | -66.1 | 0 | 0 | 0 | 125.2 | | |
| 146 | D | 37.8 | Very low | 40.3 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 64.5 | 117.7 | 136.5 | -51 | -15.9 | 0 | 0 | 0 | 119.7 | | |
| 147 | Q | 36.7 | Very low | 40.4 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | cis | -153.8 | 153.8 | 42.4 | -70.7 | 178.4 | -24.4 | 0 | 0 | 112.7 | | |
| 148 | L | 45.9 | Very low | 40.6 | Very low | 168 Ų | 168 | 152.2 Ų | 152.2 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 143.6 | 172.7 | -96.4 | 83.1 | 0 | 0 | 0 | 112.9 | | |
| 149 | P | 53.1 | Low | 40.5 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 153.4 | 160 | -12.3 | 28.8 | 0 | 0 | 0 | 112.3 | | |
| 150 | P | 56.6 | Low | 40.5 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 153 | 179.8 | 32.9 | -35.6 | 0 | 0 | 0 | 113.5 | | |
| 151 | P | 56.2 | Low | 40.3 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81 | 153.5 | 176.9 | 33.6 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 152 | P | 55.4 | Low | 40.3 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 151.8 | 175.2 | 31 | -34.8 | 0 | 0 | 0 | 113.1 | | |
| 153 | L | 51.4 | Low | 40.1 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81 | 146.5 | -177.7 | -72 | 160.5 | 0 | 0 | 0 | 112.9 | | |
| 154 | P | 35.8 | Very low | 39.7 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79 | 139.4 | 171.4 | 32.5 | -33.5 | 0 | 0 | 0 | 111.7 | | |
| 155 | Q | 41 | Very low | 39.7 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -120 | 162 | 164.3 | -71.3 | -165.9 | -6.2 | 0 | 0 | 110.9 | | |
| 156 | Q | 40.3 | Very low | 39.3 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -95.9 | 160 | -148.7 | -67.7 | 174.9 | -33.5 | 0 | 0 | 115.3 | | |
| 157 | Q | 30.8 | Very low | 38.9 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -56.8 | 150.4 | 173.5 | -70.7 | 171.3 | -38.2 | 0 | 0 | 113.8 | | |
| 158 | Q | 36.4 | Very low | 38.5 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -146.8 | 146.4 | 137.9 | -114.1 | 166.1 | 55.6 | 0 | 0 | 110.7 | | |
| 159 | Q | 30.8 | Very low | 37.6 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -92.9 | 154.4 | -168.7 | -100.8 | 82.8 | -13.3 | 0 | 0 | 114.4 | | |
| 160 | G | 30.9 | Very low | 36.4 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 173 | 86.5 | 162 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 161 | C | 30.2 | Very low | 34.9 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | | | | 86.9 | 89.8 | 81.4 | -79.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 162 | H | 31.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 150 Ų | 150 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | 64.2 | 159.9 | 151.3 | -48.6 | -66.4 | 0 | 0 | 0 | 117.3 | | |
| 163 | D | 33.1 | Very low | 32.1 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | cis | -141.4 | 177.2 | 14.9 | -161.4 | 7.5 | 0 | 0 | 0 | 112.6 | | |
| 164 | Y | 28.5 | Very low | 31 | Very low | 195 Ų | 195 | 150 Ų | 150 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -83.1 | 150.4 | -164.1 | -71 | -93.3 | 0 | 0 | 0 | 117.2 | F166 | Y164-F166 HydrophobicContact CD1-CE2 4.24Š|
| 165 | G | 33.1 | Very low | 30.5 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | | | trans | -148.7 | 101.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 166 | F | 29.2 | Very low | 29.8 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -75.5 | 127.7 | -173.5 | -94.4 | -109.8 | 0 | 0 | 0 | 114 | Y164 | Y164-F166 HydrophobicContact CD1-CE2 4.24Š|
| 167 | L | 29.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -148.3 | 151.9 | 138.7 | -94.4 | 175.3 | 0 | 0 | 0 | 108.3 | Q169 | L167-Q169 PolarHBondContact O-N 3.26Š|
| 168 | P | 29.5 | Very low | 29 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 49% | 0.494 | 77% | 0.772 | S | S | . | * | | | trans | -78.8 | 125.9 | -160.8 | 28.9 | -34.5 | 0 | 0 | 0 | 114.4 | Y170 | P168-Y170 HydrophobicContact CB-CE1 4.13Å; P168-Y170 HydrophobicContact CB-CE2 4.31Å; P168-Y170 HydrophobicContact CG-CE1 4.28Å; P168-Y170 HydrophobicContact CG-CE2 3.86Å; P168-Y170 VanDerWaalsContact CG-OH 3.31Å; P168-Y170 WeakPolarHBondContact CG-OH 3.47Å; P168-Y170 PolarHBondContact O-N 3.17Å |
| 169 | Q | 26.1 | Very low | 28.4 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | -73.5 | 112.6 | 161.1 | -69.1 | -179.1 | -79.5 | 0 | 0 | 110.1 | L167 E171 | L167-Q169 PolarHBondContact O-N 3.26Å; Q169-E171 VanDerWaalsContact C-N 3.28Å; Q169-E171 HydrophobicContact CB-CG 4.28Å; Q169-E171 PolarHBondContact NE2-OE2 3.2Å; Q169-E171 PolarHBondContact O-N 3.17Å |
| 170 | Y | 27.3 | Very low | 28.2 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -92.2 | 63.5 | 163.1 | -49.4 | -72.2 | 0 | 0 | 0 | 109.2 | P168 | P168-Y170 HydrophobicContact CB-CE1 4.13Å; P168-Y170 HydrophobicContact CB-CE2 4.31Å; P168-Y170 HydrophobicContact CG-CE1 4.28Å; P168-Y170 HydrophobicContact CG-CE2 3.86Å; P168-Y170 VanDerWaalsContact CG-OH 3.31Å; P168-Y170 WeakPolarHBondContact CG-OH 3.47Å; P168-Y170 PolarHBondContact O-N 3.17Å |
| 171 | E | 26.3 | Very low | 28 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 50% | 0.5 | 77% | 0.774 | S | S | . | * | | | trans | -79.9 | 148.9 | -177 | -90.8 | -156.4 | 102.9 | 0 | 0 | 113.8 | Q169 | Q169-E171 VanDerWaalsContact C-N 3.28Å; Q169-E171 HydrophobicContact CB-CG 4.28Å; Q169-E171 PolarHBondContact NE2-OE2 3.2Å; Q169-E171 PolarHBondContact O-N 3.17Å |
| 172 | Q | 27 | Very low | 27.8 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 49.9 | 75 | 146.9 | -59.1 | 176.8 | 36.6 | 0 | 0 | 117.8 | | |
| 173 | S | 25.3 | Very low | 27.5 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -162.9 | 53.3 | 161.1 | 39.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 174 | L | 27.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 154 Ų | 154 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -147.9 | 27.1 | 170.1 | -115.7 | 168.4 | 0 | 0 | 0 | 115.2 | | |
| 175 | S | 25.2 | Very low | 27.1 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -111.7 | 153.2 | 156.5 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 176 | N | 26.4 | Very low | 26.6 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 81.1 | 24.7 | 175.5 | -50 | -25.9 | 0 | 0 | 0 | 119.8 | | |
| 177 | E | 27.7 | Very low | 26.6 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -117.3 | 20.3 | 172.4 | -73.3 | -145.5 | 138.6 | 0 | 0 | 116.8 | | |
| 178 | F | 27.4 | Very low | 26.4 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -129 | 36.8 | 172.6 | -89.6 | -74.2 | 0 | 0 | 0 | 115.1 | | |
| 179 | C | 24.5 | Very low | 26.2 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -138.4 | 66.7 | 169.6 | -82.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 180 | N | 26.7 | Very low | 26.3 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -122.1 | 135 | 170.2 | -101.1 | -44.5 | 0 | 0 | 0 | 112.1 | | |
| 181 | Y | 25.2 | Very low | 26.2 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -74.5 | 136.4 | -176.1 | -82.7 | -120 | 0 | 0 | 0 | 111.3 | | |
| 182 | Y | 26.9 | Very low | 26.3 | Very low | 190 Ų | 190 | 153.7 Ų | 153.7 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | | | trans | -115.7 | 63.1 | 160.2 | -78.8 | -65.2 | 0 | 0 | 0 | 111.3 | Y184 | Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 HydrophobicContact CD1-CD2 4.3Å; Y182-Y184 AromaticContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CE1-CE2 4.26Å; Y182-Y184 HydrophobicContact CG-CE2 4.19Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y182-Y184 VanDerWaalsContact O-N 3.12Å |
| 183 | T | 25.4 | Very low | 26.2 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -76.7 | 86.2 | 164.9 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 184 | Y | 26.9 | Very low | 26.3 | Very low | 183 Ų | 183 | 153 Ų | 153 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -74.9 | 133.4 | 170.5 | -84.8 | -81.7 | 0 | 0 | 0 | 110.8 | Y182 | Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 HydrophobicContact CD1-CD2 4.3Å; Y182-Y184 AromaticContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CE1-CE2 4.26Å; Y182-Y184 HydrophobicContact CG-CE2 4.19Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y182-Y184 VanDerWaalsContact O-N 3.12Å |
| 185 | P | 26 | Very low | 26.5 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -70.2 | 145.6 | 178.1 | 29.6 | -34.8 | 0 | 0 | 0 | 111.2 | | |
| 186 | S | 23.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -95.3 | 107.3 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 187 | S | 27.4 | Very low | 26.8 | Very low | 88 Ų | 88 | 154.2 Ų | 154.2 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | trans | -140.3 | 112.4 | 171.3 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 188 | D | 25.5 | Very low | 26.9 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 46.7 | 90.8 | 139.8 | -46.8 | -35.9 | 0 | 0 | 0 | 118.8 | | |
| 189 | Y | 27 | Very low | 27.2 | Very low | 239 Ų | 239 | 151.8 Ų | 151.8 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | | | trans | -127.2 | 123.2 | 145.6 | -103.7 | -85.9 | 0 | 0 | 0 | 111.7 | | |
| 190 | I | 27.8 | Very low | 27.4 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -79.2 | 147.2 | -169.6 | -67.8 | 168.1 | 0 | 0 | 0 | 111.2 | L192 | I190-L192 PolarHBondContact O-N 3.14Š|
| 191 | N | 24 | Very low | 27.7 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -59.6 | 95 | 172.7 | -86 | -69.6 | 0 | 0 | 0 | 112.5 | N193 | N191-N193 PolarHBondContact O-N 2.78Š|
| 192 | L | 28.1 | Very low | 27.8 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -90.3 | 75.3 | 165.5 | -96.5 | 164.8 | 0 | 0 | 0 | 110.7 | I190 I194 | I190-L192 PolarHBondContact O-N 3.14Å; L192-I194 HydrophobicContact CB-CG1 4.47Å; L192-I194 HydrophobicContact CD2-CD1 4.48Å; L192-I194 HydrophobicContact CD2-CG1 4.21Å; L192-I194 PolarHBondContact O-N 3.49Å |
| 193 | N | 26 | Very low | 27.8 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -76.5 | 72 | 176.7 | -169.4 | -0.4 | 0 | 0 | 0 | 110.8 | N191 K195 | N191-N193 PolarHBondContact O-N 2.78Å; N193-K195 PolarHBondContact O-N 3.25Å |
| 194 | I | 28 | Very low | 28.2 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | | | trans | -73 | 94.8 | -176.6 | -58.7 | 178 | 0 | 0 | 0 | 109.9 | L192 T196 | L192-I194 HydrophobicContact CB-CG1 4.47Å; L192-I194 HydrophobicContact CD2-CD1 4.48Å; L192-I194 HydrophobicContact CD2-CG1 4.21Å; L192-I194 PolarHBondContact O-N 3.49Å; I194-T196 PolarHBondContact O-N 3.19Å |
| 195 | K | 30.8 | Very low | 28.3 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 116.9 | 164.7 | -69.3 | -178.4 | 178.1 | 179.2 | 0 | 109.5 | N193 N197 | N193-K195 PolarHBondContact O-N 3.25Å; K195-N197 PolarHBondContact O-N 2.94Å; K195-N197 VanDerWaalsContact O-N 3.09Å |
| 196 | T | 27.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -73.1 | 95.6 | 169.2 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | I194 | I194-T196 PolarHBondContact O-N 3.19Š|
| 197 | N | 31 | Very low | 29 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -103.9 | 110 | 160.7 | -95.6 | 7.9 | 0 | 0 | 0 | 108.4 | K195 | K195-N197 PolarHBondContact O-N 2.94Å; K195-N197 VanDerWaalsContact O-N 3.09Å |
| 198 | E | 28.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -72.4 | 133 | 167 | -58 | 179.7 | 140.5 | 0 | 0 | 109.1 | | |
| 199 | N | 33.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | -171.5 | 106.2 | 146.6 | -100.1 | -42.7 | 0 | 0 | 0 | 112.7 | | |
| 200 | H | 29.6 | Very low | 29.9 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 31.7 | 118.8 | 138 | -98.9 | -85.9 | 0 | 0 | 0 | 121.7 | | |
| 201 | L | 32.2 | Very low | 30.2 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | | 152 | 121.7 | 126.8 | -78.5 | 160.4 | 0 | 0 | 0 | 109.3 | | |
| 202 | H | 27 | Very low | 30.7 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | | 76.2 | 123.3 | 79.8 | -144.4 | -98.3 | 0 | 0 | 0 | 111.8 | | |
| 203 | I | 28.2 | Very low | 31 | Very low | 118 Ų | 118 | 147 Ų | 147 | 61% | 0.605 | 77% | 0.774 | S | S | * | * | | | cis | -158.4 | -163 | -7.8 | -149.4 | 176.6 | 0 | 0 | 0 | 109 | | |
| 204 | D | 33.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 70.9 | 154.9 | 170.1 | -67.3 | -43.2 | 0 | 0 | 0 | 119.2 | | |
| 205 | N | 29.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | -176.7 | 126.1 | -48.7 | -114.9 | -41.5 | 0 | 0 | 0 | 108.5 | | |
| 206 | S | 32.2 | Very low | 32 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | 155.2 | 115.4 | 145.3 | -76.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 207 | P | 31.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -103.5 | 154 | 167.4 | 37.1 | -30.5 | 0 | 0 | 0 | 112.6 | | |
| 208 | L | 34.4 | Very low | 32.5 | Very low | 188 Ų | 188 | 152 Ų | 152 | 98% | 0.984 | 79% | 0.788 | S | S | * | * | | | trans | -129.2 | 151.2 | 164.4 | -91.1 | 172.7 | 0 | 0 | 0 | 111.9 | | |
| 209 | L | 29.1 | Very low | 32.9 | Very low | 141 Ų | 141 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -142.4 | 122.8 | -153.6 | 178.4 | 78.3 | 0 | 0 | 0 | 113.9 | | |
| 210 | S | 35.2 | Very low | 33 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -139 | 113.3 | 158 | 42.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 211 | K | 33.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | | 51.2 | 119.9 | 73.6 | -61.4 | 176.2 | -178.2 | 169.2 | 0 | 110.3 | | |
| 212 | T | 35.5 | Very low | 33.8 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | | | | -148.5 | 174.2 | 59.5 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 213 | K | 34.5 | Very low | 34.5 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | -81.2 | 159.8 | -169.2 | -51.5 | 165.2 | -176.8 | 171.3 | 0 | 113.5 | | |
| 214 | H | 39.1 | Very low | 35 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | | 174.7 | 111.2 | 110.9 | -96.9 | -80.2 | 0 | 0 | 0 | 110.1 | | |
| 215 | I | 33.9 | Very low | 35.5 | Very low | 162 Ų | 162 | 148 Ų | 148 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | | 79 | 121.6 | 101 | -140 | 75.9 | 0 | 0 | 0 | 114.1 | | |
| 216 | G | 33.4 | Very low | 36 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | 162.6 | 35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 217 | K | 36.4 | Very low | 36.4 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | 43.7 | 119 | 154.4 | -67.3 | 173.9 | -179.4 | 169.4 | 0 | 121.9 | | |
| 218 | R | 32.6 | Very low | 36.9 | Very low | 245 Ų | 245 | 156.9 Ų | 156.9 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | 74.1 | 134.1 | 138.5 | -61.3 | 172.9 | 174.3 | 178 | -3.8 | 120.2 | | |
| 219 | G | 36.4 | Very low | 37.3 | Very low | 74 Ų | 74 | 155.2 Ų | 155.2 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | trans | 159.7 | 65.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N221 | G219-N221 PolarHBondContact O-N 2.96Š|
| 220 | T | 36.2 | Very low | 38.1 | Very low | 147 Ų | 147 | 156 Ų | 156 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -77.7 | 74.9 | -171.8 | 39.8 | 0 | 0 | 0 | 0 | 114.8 | R222 | T220-R222 PolarHBondContact O-N 2.93Š|
| 221 | N | 37.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -79.1 | 51 | -171.8 | -137.9 | -19.2 | 0 | 0 | 0 | 115.4 | G219 K223 | G219-N221 PolarHBondContact O-N 2.96Å; N221-K223 PolarHBondContact O-N 3.35Å |
| 222 | R | 41.2 | Very low | 39.3 | Very low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 24.8 | -171.8 | -133.2 | 178.7 | -165.3 | -176.1 | 4.9 | 115 | T220 | T220-R222 PolarHBondContact O-N 2.93Š|
| 223 | K | 41 | Very low | 40.1 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -8.2 | -170.6 | -78.4 | -175.6 | 175.9 | 177.3 | 0 | 116.8 | N221 | N221-K223 PolarHBondContact O-N 3.35Š|
| 224 | G | 39.4 | Very low | 41 | Very low | 46 Ų | 46 | 146.6 Ų | 146.6 | 47% | 0.474 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -71.1 | -51 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R226 R227 | G224-R226 PolarHBondContact O-N 2.82Å; G224-R227 PolarHBondContact O-N 3.48Å |
| 225 | I | 44.2 | Very low | 41.4 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -61.2 | -14.9 | -161.5 | -58.4 | 167.6 | 0 | 0 | 0 | 114.7 | | |
| 226 | R | 40.1 | Very low | 42.6 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -86.8 | -6.1 | -176.6 | -146.4 | 176.6 | -171.2 | -175.9 | 3.1 | 114.7 | G224 | G224-R226 PolarHBondContact O-N 2.82Å |
| 227 | R | 39.3 | Very low | 44 | Very low | 212 Ų | 212 | 146 Ų | 146 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -95.5 | -43.6 | 176.1 | -80.3 | -178.6 | 168.7 | 146.3 | -2.5 | 113.3 | G224 K229 K230 L231 | G224-R227 PolarHBondContact O-N 3.48Å; R227-K229 PolarHBondContact O-N 3.31Å; R227-K230 PolarHBondContact O-N 3.26Å; R227-L231 PolarHBondContact O-N 3.18Å |
| 228 | E | 42 | Very low | 45.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -59.9 | -45.5 | -179.1 | -67.4 | 155.2 | 165.3 | 0 | 0 | 111.9 | K230 L231 T232 | E228-K230 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 2.82Å; E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 VanDerWaalsContact O-N 3.16Å; E228-T232 PolarHBondContact O-OG1 3.24Å |
| 229 | K | 44.5 | Very low | 46.4 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.6 | -13.6 | 176.5 | -66.4 | -166.3 | 176.3 | -167.3 | 0 | 114.8 | R227 | R227-K229 PolarHBondContact O-N 3.31Å |
| 230 | K | 44.6 | Very low | 47.7 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 68% | 0.683 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.8 | -36.9 | 170.3 | -76.5 | -163.7 | 170.8 | -165.1 | 0 | 112.3 | R227 E228 T234 | R227-K230 PolarHBondContact O-N 3.26Å; E228-K230 PolarHBondContact O-N 3.49Å; K230-T234 PolarHBondContact O-N 3.41Å; K230-T234 PolarHBondContact O-OG1 3.18Å |
| 231 | L | 43.5 | Very low | 49.1 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -44.9 | 179.5 | -71.7 | 166 | 0 | 0 | 0 | 111.4 | R227 E228 N233 T234 Y235 | R227-L231 PolarHBondContact O-N 3.18Å; E228-L231 PolarHBondContact O-N 2.82Å; L231-N233 PolarHBondContact O-N 3.48Å; L231-T234 PolarHBondContact O-N 3.35Å; L231-Y235 PolarHBondContact O-N 3.12Å |
| 232 | T | 49.9 | Very low | 49.8 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -40.5 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | E228 Y235 L236 | E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 VanDerWaalsContact O-N 3.16Å; E228-T232 PolarHBondContact O-OG1 3.24Å; T232-Y235 PolarHBondContact O-N 2.63Å; T232-L236 PolarHBondContact O-N 3.19Å |
| 233 | N | 52.5 | Low | 50.5 | Low | 86 Ų | 86 | 129.5 Ų | 129.5 | 46% | 0.46 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 178.3 | -159.3 | -86.8 | 0 | 0 | 0 | 112.1 | L231 K237 | L231-N233 PolarHBondContact O-N 3.48Å; N233-K237 WeakPolarHBondContact O-CG 3.35Å; N233-K237 PolarHBondContact O-N 2.96Å; N233-K237 VanDerWaalsContact O-N 3.09Å; N233-K237 WeakPolarHBondContact OD1-CE 3.46Å |
| 234 | T | 53.9 | Low | 51.5 | Low | 95 Ų | 95 | 125.5 Ų | 125.5 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -39.5 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | K230 L231 K238 | K230-T234 PolarHBondContact O-N 3.41Å; K230-T234 PolarHBondContact O-OG1 3.18Å; L231-T234 PolarHBondContact O-N 3.35Å; T234-K238 PolarHBondContact O-N 3.16Å; T234-K238 VanDerWaalsContact O-N 3.09Å |
| 235 | Y | 47.4 | Very low | 52.1 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.6 | -50.1 | 175.4 | -173.2 | -89.6 | 0 | 0 | 0 | 111.6 | L231 T232 K237 K238 Q239 | L231-Y235 PolarHBondContact O-N 3.12Å; T232-Y235 PolarHBondContact O-N 2.63Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; Y235-K237 PolarHBondContact O-N 3.07Å; Y235-K238 WeakPolarHBondContact O-CB 3.45Å; Y235-K238 PolarHBondContact O-N 3.15Å; Y235-Q239 PolarHBondContact O-N 3.04Å |
| 236 | L | 59.6 | Low | 52 | Low | 97 Ų | 97 | 131.7 Ų | 131.7 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.1 | -45.5 | 177.4 | -115.5 | 69 | 0 | 0 | 0 | 112.5 | T232 K238 Q239 Q240 | T232-L236 PolarHBondContact O-N 3.19Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.43Å; L236-Q239 PolarHBondContact O-N 3.48Å; L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 2.97Å |
| 237 | K | 62.6 | Low | 52.6 | Low | 136 Ų | 136 | 127.1 Ų | 127.1 | 59% | 0.591 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -34.8 | 176.9 | -74 | -174.4 | 177.2 | -169.2 | 0 | 112.8 | N233 Y235 K241 | N233-K237 WeakPolarHBondContact O-CG 3.35Å; N233-K237 PolarHBondContact O-N 2.96Å; N233-K237 VanDerWaalsContact O-N 3.09Å; N233-K237 WeakPolarHBondContact OD1-CE 3.46Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; Y235-K237 PolarHBondContact O-N 3.07Å; K237-K241 PolarHBondContact O-N 3.18Å; K237-K241 VanDerWaalsContact O-N 3.15Å |
| 238 | K | 62 | Low | 53 | Low | 127 Ų | 127 | 123 Ų | 123 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69 | -41.6 | 175.5 | -155.5 | -175.1 | -177.8 | -173.8 | 0 | 111 | T234 Y235 L236 K241 Y242 | T234-K238 PolarHBondContact O-N 3.16Å; T234-K238 VanDerWaalsContact O-N 3.09Å; Y235-K238 WeakPolarHBondContact O-CB 3.45Å; Y235-K238 PolarHBondContact O-N 3.15Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.05Å; K238-Y242 HydrophobicContact CD-CE2 4.09Å; K238-Y242 WeakPolarHBondContact CE-OH 2.98Å; K238-Y242 HydrophobicContact CG-CD2 4.38Å; K238-Y242 HydrophobicContact CG-CE2 3.79Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.29Å |
| 239 | Q | 57.4 | Low | 52.9 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -47.9 | 176.6 | -171.7 | 170.7 | -5.7 | 0 | 0 | 112 | Y235 L236 K241 Y242 E243 | Y235-Q239 PolarHBondContact O-N 3.04Å; L236-Q239 PolarHBondContact O-N 3.48Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.3Å; Q239-Y242 PolarHBondContact O-N 3.15Å; Q239-E243 PolarHBondContact O-N 2.94Å |
| 240 | Q | 63.4 | Low | 52.6 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 174.3 | -73 | 178 | -26.1 | 0 | 0 | 112.9 | L236 E243 N244 | L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 2.97Å; Q240-E243 PolarHBondContact O-N 3.37Å; Q240-N244 WeakPolarHBondContact O-CB 3.48Å; Q240-N244 PolarHBondContact O-N 3.06Å |
| 241 | K | 65.5 | Low | 52.5 | Low | 165 Ų | 165 | 114 Ų | 114 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -37.7 | 174.4 | -170.9 | 175.8 | 180 | -179.9 | 0 | 112.1 | K237 K238 Q239 Y245 | K237-K241 PolarHBondContact O-N 3.18Å; K237-K241 VanDerWaalsContact O-N 3.15Å; K238-K241 PolarHBondContact O-N 3.05Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.3Å; K241-Y245 WeakPolarHBondContact O-CB 3.26Å; K241-Y245 PolarHBondContact O-N 3.21Å; K241-Y245 VanDerWaalsContact O-N 3.16Å |
| 242 | Y | 52.4 | Low | 52.4 | Low | 117 Ų | 117 | 113 Ų | 113 | 46% | 0.459 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 174.8 | -70.4 | -62.1 | 0 | 0 | 0 | 112.4 | K238 Q239 N244 Y245 Y246 | K238-Y242 HydrophobicContact CD-CE2 4.09Å; K238-Y242 WeakPolarHBondContact CE-OH 2.98Å; K238-Y242 HydrophobicContact CG-CD2 4.38Å; K238-Y242 HydrophobicContact CG-CE2 3.79Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.29Å; Q239-Y242 PolarHBondContact O-N 3.15Å; Y242-N244 VanDerWaalsContact C-N 3.35Å; Y242-N244 PolarHBondContact O-N 2.86Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.08Å; Y242-Y245 VanDerWaalsContact O-N 3.15Å; Y242-Y246 VanDerWaalsContact O-CD2 3.24Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Y242-Y246 PolarHBondContact O-N 3.4Å |
| 243 | E | 55.1 | Low | 51.9 | Low | 96 Ų | 96 | 112.7 Ų | 112.7 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.8 | -74.9 | -178.9 | -155.4 | 0 | 0 | 112.4 | Q239 Q240 Y245 Y246 K247 | Q239-E243 PolarHBondContact O-N 2.94Å; Q240-E243 PolarHBondContact O-N 3.37Å; E243-Y245 VanDerWaalsContact C-N 3.32Å; E243-Y245 PolarHBondContact O-N 3.36Å; E243-Y246 PolarHBondContact O-N 2.94Å; E243-K247 WeakPolarHBondContact O-CB 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.22Å; E243-K247 PolarHBondContact O-N 3.09Å |
| 244 | N | 63.2 | Low | 51 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.8 | -32.3 | 175.7 | -73.8 | -14.2 | 0 | 0 | 0 | 112.6 | Q240 Y242 K248 | Q240-N244 WeakPolarHBondContact O-CB 3.48Å; Q240-N244 PolarHBondContact O-N 3.06Å; Y242-N244 VanDerWaalsContact C-N 3.35Å; Y242-N244 PolarHBondContact O-N 2.86Å; N244-K248 PolarHBondContact O-N 2.97Å |
| 245 | Y | 50.9 | Low | 50 | Low | 142 Ų | 142 | 113.8 Ų | 113.8 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.5 | -46.6 | 174.2 | -179.7 | -106.6 | 0 | 0 | 0 | 111.7 | K241 Y242 E243 K248 L249 | K241-Y245 WeakPolarHBondContact O-CB 3.26Å; K241-Y245 PolarHBondContact O-N 3.21Å; K241-Y245 VanDerWaalsContact O-N 3.16Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.08Å; Y242-Y245 VanDerWaalsContact O-N 3.15Å; E243-Y245 VanDerWaalsContact C-N 3.32Å; E243-Y245 PolarHBondContact O-N 3.36Å; Y245-K248 PolarHBondContact O-N 3.2Å; Y245-L249 HydrophobicContact CD1-CD1 3.91Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 PolarHBondContact O-N 2.99Å |
| 246 | Y | 41.7 | Very low | 49.6 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -37.7 | 175.4 | -75.8 | -65.2 | 0 | 0 | 0 | 112.8 | Y242 E243 K248 L249 S250 | Y242-Y246 VanDerWaalsContact O-CD2 3.24Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Y242-Y246 PolarHBondContact O-N 3.4Å; E243-Y246 PolarHBondContact O-N 2.94Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 3.48Å; Y246-L249 PolarHBondContact O-N 3.39Å; Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.91Å |
| 247 | K | 53.8 | Low | 48.7 | Very low | 128 Ų | 128 | 111 Ų | 111 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -30.9 | 172.3 | -79.5 | 179.8 | 176.1 | 172.9 | 0 | 113.5 | E243 S250 N251 | E243-K247 WeakPolarHBondContact O-CB 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.22Å; E243-K247 PolarHBondContact O-N 3.09Å; K247-S250 WeakPolarHBondContact CA-OG 3.46Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-S250 VanDerWaalsContact O-OG 3.11Å; K247-N251 WeakPolarHBondContact O-CB 3.28Å; K247-N251 PolarHBondContact O-N 2.71Å; K247-N251 PolarHBondContact O-ND2 3.15Å; K247-N251 PolarHBondContact O-OD1 3.09Å |
| 248 | K | 46.7 | Very low | 47.7 | Very low | 126 Ų | 126 | 109.7 Ų | 109.7 | 55% | 0.548 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.1 | -48.1 | 174 | -165.3 | 169.4 | -169.2 | -85.3 | 0 | 110.5 | N244 Y245 Y246 S250 N251 E252 | N244-K248 PolarHBondContact O-N 2.97Å; Y245-K248 PolarHBondContact O-N 3.2Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 3.48Å; K248-S250 PolarHBondContact O-N 3.34Å; K248-N251 PolarHBondContact O-N 2.67Å; K248-N251 VanDerWaalsContact O-N 3.11Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 3.52Å; K248-E252 PolarHBondContact NZ-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.41Å |
| 249 | L | 40 | Very low | 46.8 | Very low | 76 Ų | 76 | 106 Ų | 106 | 40% | 0.398 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 175.1 | -80.6 | 161.8 | 0 | 0 | 0 | 113.1 | Y245 Y246 N251 E252 S253 | Y245-L249 HydrophobicContact CD1-CD1 3.91Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 PolarHBondContact O-N 2.99Å; Y246-L249 PolarHBondContact O-N 3.39Å; L249-N251 PolarHBondContact O-N 3.29Å; L249-E252 PolarHBondContact O-N 3.5Å; L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 3.36Å |
| 250 | S | 38.9 | Very low | 46.2 | Very low | 57 Ų | 57 | 106 Ų | 106 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -18.4 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | Y246 K247 K248 S253 N254 | Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.91Å; K247-S250 WeakPolarHBondContact CA-OG 3.46Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-S250 VanDerWaalsContact O-OG 3.11Å; K248-S250 PolarHBondContact O-N 3.34Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-OG 3.26Å; S250-S253 VanDerWaalsContact O-OG 3.05Å; S250-N254 PolarHBondContact O-ND2 3.02Å; S250-N254 VanDerWaalsContact O-ND2 3.12Å |
| 251 | N | 42.6 | Very low | 45.3 | Very low | 113 Ų | 113 | 107.1 Ų | 107.1 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -92.1 | -35.7 | 177 | -69.3 | 4.4 | 0 | 0 | 0 | 111 | K247 K248 L249 S253 N254 | K247-N251 WeakPolarHBondContact O-CB 3.28Å; K247-N251 PolarHBondContact O-N 2.71Å; K247-N251 PolarHBondContact O-ND2 3.15Å; K247-N251 PolarHBondContact O-OD1 3.09Å; K248-N251 PolarHBondContact O-N 2.67Å; K248-N251 VanDerWaalsContact O-N 3.11Å; L249-N251 PolarHBondContact O-N 3.29Å; N251-S253 VanDerWaalsContact C-N 3.3Å; N251-N254 PolarHBondContact O-N 3.36Å |
| 252 | E | 41.2 | Very low | 44.4 | Very low | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.3 | -22.1 | 173.9 | -71.7 | 171.1 | 168.2 | 0 | 0 | 112.7 | K248 L249 N254 | K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 3.52Å; K248-E252 PolarHBondContact NZ-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.41Å; L249-E252 PolarHBondContact O-N 3.5Å; E252-N254 PolarHBondContact O-N 3.09Å |
| 253 | S | 39.9 | Very low | 43.9 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 57% | 0.573 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.8 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 115 | L249 S250 N251 C255 | L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 3.36Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-OG 3.26Å; S250-S253 VanDerWaalsContact O-OG 3.05Å; N251-S253 VanDerWaalsContact C-N 3.3Å; S253-C255 PolarHBondContact O-N 3.31Å; S253-C255 VanDerWaalsContact O-N 3.1Å |
| 254 | N | 33.5 | Very low | 43.2 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | | | trans | -85.8 | 41.6 | -177.8 | -64.3 | -42.4 | 0 | 0 | 0 | 113.7 | S250 N251 E252 | S250-N254 PolarHBondContact O-ND2 3.02Å; S250-N254 VanDerWaalsContact O-ND2 3.12Å; N251-N254 PolarHBondContact O-N 3.36Å; E252-N254 PolarHBondContact O-N 3.09Å |
| 255 | C | 32.4 | Very low | 42.5 | Very low | 86 Ų | 86 | 112.3 Ų | 112.3 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | | | trans | -75.4 | 122.7 | 167 | -73 | 0 | 0 | 0 | 0 | 109.4 | S253 | S253-C255 PolarHBondContact O-N 3.31Å; S253-C255 VanDerWaalsContact O-N 3.1Å |
| 256 | T | 39.2 | Very low | 42.1 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | | | trans | -75.3 | 158.8 | 178.4 | 76.9 | 0 | 0 | 0 | 0 | 110.9 | N258 D259 I260 | T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 PolarHBondContact OG1-N 3.35Å; T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 3.42Å; T256-D259 PolarHBondContact O-N 3.47Å; T256-D259 PolarHBondContact OG1-OD2 3.05Å; T256-I260 PolarHBondContact O-N 3.16Å |
| 257 | L | 40.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -54.4 | -28.1 | 174.5 | -177.1 | 61.1 | 0 | 0 | 0 | 112.6 | K261 | L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.42Å |
| 258 | N | 41.5 | Very low | 41.8 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 57% | 0.572 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.5 | -28.7 | 177.9 | -64.2 | -27.2 | 0 | 0 | 0 | 112.7 | T256 R262 | T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 PolarHBondContact OG1-N 3.35Å; N258-R262 PolarHBondContact O-N 3.05Å |
| 259 | D | 43.4 | Very low | 41.6 | Very low | 49 Ų | 49 | 109 Ų | 109 | 26% | 0.262 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.6 | -36.7 | -179.7 | -54.4 | -49 | 0 | 0 | 0 | 111.2 | T256 R262 N263 | T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 3.42Å; T256-D259 PolarHBondContact O-N 3.47Å; T256-D259 PolarHBondContact OG1-OD2 3.05Å; D259-R262 PolarHBondContact O-N 3.36Å; D259-R262 IonicContact OD1-CZ 3.61Å; D259-R262 IonicContact OD1-NE 3.78Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 3.38Å; D259-N263 PolarHBondContact O-N 3.3Å |
| 260 | I | 44.8 | Very low | 41.7 | Very low | 88 Ų | 88 | 110.1 Ų | 110.1 | 45% | 0.451 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -44.3 | 170.3 | -58.2 | 175.3 | 0 | 0 | 0 | 110.2 | T256 N263 R264 | T256-I260 PolarHBondContact O-N 3.16Å; I260-N263 PolarHBondContact O-N 3.16Å; I260-R264 PolarHBondContact O-N 3.16Å |
| 261 | K | 45.3 | Very low | 41.7 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 59% | 0.591 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 174.9 | -74.2 | 179.9 | 178.1 | -176.3 | 0 | 112.5 | L257 K265 | L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.42Å; K261-K265 PolarHBondContact O-N 3Å |
| 262 | R | 46.7 | Very low | 41.6 | Very low | 162 Ų | 162 | 114.6 Ų | 114.6 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -46.8 | 175.5 | -116.3 | -174.9 | -60.7 | -155.8 | 5.5 | 112.4 | N258 D259 R264 K265 N266 | N258-R262 PolarHBondContact O-N 3.05Å; D259-R262 PolarHBondContact O-N 3.36Å; D259-R262 IonicContact OD1-CZ 3.61Å; D259-R262 IonicContact OD1-NE 3.78Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 3.38Å; R262-R264 PolarHBondContact O-N 3.04Å; R262-K265 PolarHBondContact O-N 3.41Å; R262-N266 PolarHBondContact O-N 2.92Å |
| 263 | N | 41.3 | Very low | 41.5 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.2 | -37.1 | -178.2 | -95.4 | -36.1 | 0 | 0 | 0 | 113.1 | D259 I260 K265 N266 Q267 | D259-N263 PolarHBondContact O-N 3.3Å; I260-N263 PolarHBondContact O-N 3.16Å; N263-K265 PolarHBondContact O-N 3.07Å; N263-N266 PolarHBondContact O-N 2.84Å; N263-Q267 PolarHBondContact O-N 3.13Å; N263-Q267 VanDerWaalsContact O-N 3.08Å |
| 264 | R | 40.8 | Very low | 41.5 | Very low | 182 Ų | 182 | 120.3 Ų | 120.3 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.7 | -43.3 | 174.5 | -73.6 | -172 | 179.6 | -175.6 | 0.6 | 112.3 | I260 R262 N266 Q267 Q268 | I260-R264 PolarHBondContact O-N 3.16Å; R262-R264 PolarHBondContact O-N 3.04Å; R264-N266 PolarHBondContact O-N 2.98Å; R264-Q267 PolarHBondContact O-N 3.22Å; R264-Q268 PolarHBondContact O-N 2.94Å |
| 265 | K | 48.1 | Very low | 41.7 | Very low | 150 Ų | 150 | 121 Ų | 121 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66 | -36.8 | -179.5 | -132.3 | 172.3 | -174.5 | 176.9 | 0 | 112.5 | K261 R262 N263 Q268 N269 | K261-K265 PolarHBondContact O-N 3Å; R262-K265 PolarHBondContact O-N 3.41Å; N263-K265 PolarHBondContact O-N 3.07Å; K265-Q268 PolarHBondContact O-N 3.25Å; K265-N269 PolarHBondContact O-N 2.89Å |
| 266 | N | 42.9 | Very low | 41.8 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.4 | -32.3 | 176.6 | -73.1 | -0.5 | 0 | 0 | 0 | 113.4 | R262 N263 R264 T270 | R262-N266 PolarHBondContact O-N 2.92Å; N263-N266 PolarHBondContact O-N 2.84Å; R264-N266 PolarHBondContact O-N 2.98Å; N266-T270 PolarHBondContact O-N 2.79Å; N266-T270 PolarHBondContact O-OG1 2.99Å |
| 267 | Q | 43.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74 | -24.6 | 175.3 | -72.9 | -172.1 | 10.4 | 0 | 0 | 113.4 | N263 R264 T270 | N263-Q267 PolarHBondContact O-N 3.13Å; N263-Q267 VanDerWaalsContact O-N 3.08Å; R264-Q267 PolarHBondContact O-N 3.22Å; Q267-T270 PolarHBondContact O-OG1 2.93Å |
| 268 | Q | 45.8 | Very low | 41.3 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.1 | -49.3 | 172 | -74.7 | 175.4 | -44.1 | 0 | 0 | 110.9 | R264 K265 T270 R271 | R264-Q268 PolarHBondContact O-N 2.94Å; K265-Q268 PolarHBondContact O-N 3.25Å; Q268-T270 VanDerWaalsContact C-N 3.28Å; Q268-T270 PolarHBondContact O-N 2.9Å; Q268-R271 PolarHBondContact O-N 3.01Å |
| 269 | N | 41.5 | Very low | 40.8 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.4 | -30.1 | -178.8 | -77 | 3.7 | 0 | 0 | 0 | 114.3 | K265 R271 | K265-N269 PolarHBondContact O-N 2.89Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.07Å |
| 270 | T | 42.1 | Very low | 40.2 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.6 | -8.3 | -179.6 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | N266 Q267 Q268 | N266-T270 PolarHBondContact O-N 2.79Å; N266-T270 PolarHBondContact O-OG1 2.99Å; Q267-T270 PolarHBondContact O-OG1 2.93Å; Q268-T270 VanDerWaalsContact C-N 3.28Å; Q268-T270 PolarHBondContact O-N 2.9Å |
| 271 | R | 38.1 | Very low | 39.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -92.7 | -20.8 | -178.9 | -137.5 | 170.1 | -176 | 143.5 | 0.2 | 113.7 | Q268 N269 I275 | Q268-R271 PolarHBondContact O-N 3.01Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.07Å; R271-I275 WeakPolarHBondContact O-CD1 3.48Å |
| 272 | S | 40.6 | Very low | 38.8 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 53% | 0.531 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -66 | -42.2 | -179.3 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | Q274 | S272-Q274 PolarHBondContact O-N 3.19Å |
| 273 | D | 39.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -9.5 | -163 | -64.1 | -22.5 | 0 | 0 | 0 | 114.9 | | |
| 274 | Q | 41.2 | Very low | 37.4 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -11.3 | -179.2 | -62.4 | -162.5 | 17.1 | 0 | 0 | 114.7 | S272 N276 | S272-Q274 PolarHBondContact O-N 3.19Å; Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.05Å |
| 275 | I | 36.7 | Very low | 36.9 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -73.3 | -17.7 | -171.5 | -69.3 | 173 | 0 | 0 | 0 | 112.9 | R271 K277 | R271-I275 WeakPolarHBondContact O-CD1 3.48Å; I275-K277 PolarHBondContact O-N 3.36Å |
| 276 | N | 35.5 | Very low | 36 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -90.2 | 18.5 | -170.3 | -97.4 | -24.9 | 0 | 0 | 0 | 116.5 | Q274 | Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.05Å |
| 277 | K | 37.1 | Very low | 35.7 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -123.9 | -2.9 | -169.2 | -131.4 | 175.7 | -175.5 | 177.3 | 0 | 119.5 | I275 | I275-K277 PolarHBondContact O-N 3.36Š|
| 278 | F | 30.6 | Very low | 35.2 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | -136.9 | 108.3 | 171.5 | -77.3 | -81.6 | 0 | 0 | 0 | 111.8 | | |
| 279 | K | 31 | Very low | 34.6 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | | | trans | -137.5 | 103 | 171.9 | -172.3 | 173.2 | -176 | 175.1 | 0 | 108.6 | | |
| 280 | I | 30.5 | Very low | 34.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -113.9 | 137.4 | 176.7 | -61.1 | 177.7 | 0 | 0 | 0 | 107.4 | | |
| 281 | P | 30.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -78.6 | 138.1 | -173.9 | -9.5 | 27 | 0 | 0 | 0 | 112 | | |
| 282 | I | 29.9 | Very low | 33.3 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -83 | 139.1 | 163.7 | -62.1 | 172.7 | 0 | 0 | 0 | 108 | T284 | I282-T284 HydrophobicContact CG2-CG2 4.48Š|
| 283 | K | 31.6 | Very low | 32.7 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -107.6 | 134.6 | 158.8 | -73.4 | -171.8 | 174 | -170.4 | 0 | 108.5 | | |
| 284 | T | 27.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 158.4 Ų | 158.4 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -104 | 133.3 | 168.6 | 45.7 | 0 | 0 | 0 | 0 | 108.5 | I282 | I282-T284 HydrophobicContact CG2-CG2 4.48Š|
| 285 | D | 30.4 | Very low | 31.9 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | -122.2 | 147.6 | 157.1 | -72.2 | -60.7 | 0 | 0 | 0 | 106.6 | | |
| 286 | E | 29.8 | Very low | 31.8 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -102.3 | -171.9 | -169.6 | -60.5 | 179.2 | 128.7 | 0 | 0 | 111.6 | | |
| 287 | N | 35.2 | Very low | 31.7 | Very low | 133 Ų | 133 | 155.5 Ų | 155.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 73.9 | 146.4 | 174.6 | -61.7 | 42.1 | 0 | 0 | 0 | 115.8 | | |
| 288 | D | 34.8 | Very low | 31.6 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | cis | -148.7 | 172 | -7.8 | -118.2 | -38.5 | 0 | 0 | 0 | 111.1 | | |
| 289 | N | 31.9 | Very low | 31.7 | Very low | 148 Ų | 148 | 156.9 Ų | 156.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -94.6 | 140.9 | 179.5 | -59.7 | -96.9 | 0 | 0 | 0 | 111.7 | | |
| 290 | D | 32.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -165.9 | 132.4 | 147.7 | -107.6 | -25.6 | 0 | 0 | 0 | 112.1 | | |
| 291 | P | 31.1 | Very low | 31.4 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | trans | -99.2 | 126.9 | 175.2 | 35.1 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 292 | I | 32 | Very low | 31.3 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -106.1 | 119.3 | 177.3 | -59.8 | 178.6 | 0 | 0 | 0 | 110.3 | Y294 | I292-Y294 HydrophobicContact CG2-CD2 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.29Å |
| 293 | F | 28.4 | Very low | 31.4 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -76.6 | 143 | 167.5 | -91.2 | -106.9 | 0 | 0 | 0 | 111.1 | | |
| 294 | Y | 33.4 | Very low | 31.2 | Very low | 221 Ų | 221 | 150.9 Ų | 150.9 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -145 | 126.7 | 153.4 | -99.4 | -80.5 | 0 | 0 | 0 | 108.5 | I292 | I292-Y294 HydrophobicContact CG2-CD2 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.29Å |
| 295 | D | 30.3 | Very low | 31.3 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -86.2 | 134.4 | 178.8 | -52.8 | -73.9 | 0 | 0 | 0 | 111 | | |
| 296 | D | 33.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -133.7 | 113.4 | 168.1 | -167.1 | 0.5 | 0 | 0 | 0 | 109.8 | F298 | D296-F298 PolarHBondContact O-N 2.94Š|
| 297 | P | 33.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -96.2 | 59.3 | -162.1 | 38.4 | -38.3 | 0 | 0 | 0 | 114.6 | | |
| 298 | F | 35 | Very low | 30.7 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | -131.6 | 141.3 | 161.2 | -84.9 | -79.9 | 0 | 0 | 0 | 112 | D296 | D296-F298 PolarHBondContact O-N 2.94Š|
| 299 | H | 32.5 | Very low | 30.3 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -129.2 | 132.3 | -155 | -160.7 | 54.8 | 0 | 0 | 0 | 111.3 | | |
| 300 | G | 26.5 | Very low | 30.2 | Very low | 67 Ų | 67 | 150.6 Ų | 150.6 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 143.8 | 59.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 301 | D | 29.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | 179.8 | 133 | 138.4 | -97.8 | -17.3 | 0 | 0 | 0 | 111.1 | I303 | D301-I303 VanDerWaalsContact C-N 3.35Å; D301-I303 PolarHBondContact O-N 3.27Å |
| 302 | T | 28.4 | Very low | 30.1 | Very low | 140 Ų | 140 | 151 Ų | 151 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -83.5 | 71.5 | -171.3 | -50 | 0 | 0 | 0 | 0 | 112.3 | H304 | T302-H304 PolarHBondContact O-N 3.07Š|
| 303 | I | 31.1 | Very low | 29.9 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -74.6 | 93.1 | 172.9 | -58.3 | 178.3 | 0 | 0 | 0 | 109.4 | D301 N305 | D301-I303 VanDerWaalsContact C-N 3.35Å; D301-I303 PolarHBondContact O-N 3.27Å; I303-N305 PolarHBondContact O-N 3.11Å |
| 304 | H | 28.3 | Very low | 29.9 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | | | trans | -75.1 | 107 | 176.7 | -153.6 | -63.4 | 0 | 0 | 0 | 110.5 | T302 G306 | T302-H304 PolarHBondContact O-N 3.07Å; H304-G306 PolarHBondContact O-N 2.88Å; H304-G306 VanDerWaalsContact O-N 3.12Å |
| 305 | N | 30 | Very low | 29.5 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -57.4 | 114.3 | -173.5 | -78.4 | -35.2 | 0 | 0 | 0 | 113.1 | I303 | I303-N305 PolarHBondContact O-N 3.11Š|
| 306 | G | 27.4 | Very low | 29.4 | Very low | 74 Ų | 74 | 144.8 Ų | 144.8 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -96.7 | 115.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H304 | H304-G306 PolarHBondContact O-N 2.88Å; H304-G306 VanDerWaalsContact O-N 3.12Å |
| 307 | Y | 27 | Very low | 29.2 | Very low | 220 Ų | 220 | 149.9 Ų | 149.9 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | | | trans | -65.7 | 133.3 | 179.2 | -66.8 | -88.5 | 0 | 0 | 0 | 112.2 | M309 | Y307-M309 PolarHBondContact O-N 3.24Š|
| 308 | P | 27.6 | Very low | 28.9 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -75.3 | 97 | 176.3 | 30.3 | -33.9 | 0 | 0 | 0 | 110.9 | N310 | P308-N310 PolarHBondContact O-N 3.44Š|
| 309 | M | 27.3 | Very low | 28.8 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -72 | 117.3 | 172.2 | -110.8 | -63 | 168 | 0 | 0 | 110.9 | Y307 I311 | Y307-M309 PolarHBondContact O-N 3.24Å; M309-I311 PolarHBondContact O-N 2.85Å |
| 310 | N | 29 | Very low | 28.8 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -77 | 111 | -175.2 | -171.7 | -4 | 0 | 0 | 0 | 110.6 | P308 L312 | P308-N310 PolarHBondContact O-N 3.44Å; N310-L312 VanDerWaalsContact C-N 3.26Å; N310-L312 PolarHBondContact O-N 3.28Å |
| 311 | I | 30 | Very low | 29.1 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | | | trans | -79.3 | 74.3 | -175.8 | -49.4 | -178.9 | 0 | 0 | 0 | 110.6 | M309 | M309-I311 PolarHBondContact O-N 2.85Š|
| 312 | L | 31.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -101.8 | 136.5 | 159 | -133 | 75.3 | 0 | 0 | 0 | 109.2 | N310 N314 | N310-L312 VanDerWaalsContact C-N 3.26Å; N310-L312 PolarHBondContact O-N 3.28Å; L312-N314 PolarHBondContact O-N 3.03Å; L312-N314 VanDerWaalsContact O-N 3.07Å |
| 313 | N | 27.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | | | trans | -54.4 | 110.9 | -170 | -77.8 | -50.3 | 0 | 0 | 0 | 113.9 | | |
| 314 | N | 28.4 | Very low | 29.7 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | | | trans | -139.8 | 82.8 | 163.3 | -92.4 | -39 | 0 | 0 | 0 | 110.7 | L312 L316 | L312-N314 PolarHBondContact O-N 3.03Å; L312-N314 VanDerWaalsContact O-N 3.07Å; N314-L316 VanDerWaalsContact C-N 3.33Å; N314-L316 PolarHBondContact O-N 2.86Å |
| 315 | N | 26.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | -74.3 | 84.2 | 172.1 | -71.9 | -55.2 | 0 | 0 | 0 | 109.9 | | |
| 316 | L | 27.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 69% | 0.686 | 72% | 0.719 | S | S | * | * | | | trans | -134.8 | 33.7 | -170.7 | -118.7 | 152.8 | 0 | 0 | 0 | 113.9 | N314 | N314-L316 VanDerWaalsContact C-N 3.33Å; N314-L316 PolarHBondContact O-N 2.86Å |
| 317 | W | 28.8 | Very low | 31 | Very low | 251 Ų | 251 | 139 Ų | 139 | 95% | 0.951 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -101.6 | 90.5 | 164.5 | -90.1 | 22.1 | 0 | 0 | 0 | 111 | | |
| 318 | N | 28.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | | | trans | 41 | 79.5 | 150.8 | -58.8 | 4.8 | 0 | 0 | 0 | 117.9 | E320 | N318-E320 PolarHBondContact O-N 2.97Š|
| 319 | N | 32.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 65% | 0.647 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 0.9 | 166.3 | -73.1 | -55.8 | 0 | 0 | 0 | 114.1 | N323 | N319-N323 PolarHBondContact O-ND2 3.12Š|
| 320 | E | 31.7 | Very low | 32.3 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77 | -33.5 | -168.5 | -60.6 | -172.5 | 142.1 | 0 | 0 | 113.7 | N318 | N318-E320 PolarHBondContact O-N 2.97Å |
| 321 | T | 32.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -79.7 | -24.3 | -176.5 | 46.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 322 | M | 31.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -83.9 | -34.3 | 176.8 | -75.7 | -69.8 | 159 | 0 | 0 | 112.9 | Q324 I325 | M322-Q324 PolarHBondContact O-N 3.3Å; M322-I325 PolarHBondContact O-N 3.31Å |
| 323 | N | 38 | Very low | 32.8 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.6 | -17.7 | -178.5 | -79.4 | -64.4 | 0 | 0 | 0 | 114.1 | N319 S327 | N319-N323 PolarHBondContact O-ND2 3.12Å; N323-S327 WeakPolarHBondContact O-CB 3.19Å; N323-S327 PolarHBondContact O-OG 2.88Å |
| 324 | Q | 33.8 | Very low | 33 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -78 | -21 | 175.7 | -66.2 | -175.1 | 13.2 | 0 | 0 | 113.5 | M322 S327 | M322-Q324 PolarHBondContact O-N 3.3Å; Q324-S327 PolarHBondContact O-OG 3.33Å |
| 325 | I | 34.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 56% | 0.559 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -84.8 | -51.7 | -179.2 | -60.5 | 178.1 | 0 | 0 | 0 | 110 | M322 S327 S328 | M322-I325 PolarHBondContact O-N 3.31Å; I325-S327 PolarHBondContact O-N 2.89Å; I325-S328 PolarHBondContact O-N 3.31Å; I325-S328 VanDerWaalsContact O-N 3.14Å; I325-S328 PolarHBondContact O-OG 2.85Å |
| 326 | D | 37.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -64.5 | -23.2 | -179.4 | -85.9 | -22.3 | 0 | 0 | 0 | 113.8 | N330 | D326-N330 PolarHBondContact O-ND2 3.04Å |
| 327 | S | 39.4 | Very low | 33.7 | Very low | 74 Ų | 74 | 141 Ų | 141 | 52% | 0.517 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -20.5 | 176.5 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | N323 Q324 I325 | N323-S327 WeakPolarHBondContact O-CB 3.19Å; N323-S327 PolarHBondContact O-OG 2.88Å; Q324-S327 PolarHBondContact O-OG 3.33Å; I325-S327 PolarHBondContact O-N 2.89Å |
| 328 | S | 34.2 | Very low | 33.5 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -23.7 | -178 | 69 | 0 | 0 | 0 | 0 | 114.4 | I325 | I325-S328 PolarHBondContact O-N 3.31Å; I325-S328 VanDerWaalsContact O-N 3.14Å; I325-S328 PolarHBondContact O-OG 2.85Å |
| 329 | L | 37.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.9 | -4.9 | -172.4 | -153.9 | 68.6 | 0 | 0 | 0 | 114.4 | | |
| 330 | N | 38.1 | Very low | 33.4 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -105.6 | 20.4 | -169.8 | -77.6 | -71 | 0 | 0 | 0 | 114.9 | D326 | D326-N330 PolarHBondContact O-ND2 3.04Š|
| 331 | Q | 35.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -115.4 | 8.1 | -176.7 | -66.4 | -167.7 | 1.1 | 0 | 0 | 115.7 | | |
| 332 | S | 32.2 | Very low | 33.1 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -111.3 | 2.4 | -167.6 | 55.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 333 | I | 33.7 | Very low | 33.1 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | | | trans | -134.3 | 77.3 | -176.7 | -47.5 | -180 | 0 | 0 | 0 | 111.2 | | |
| 334 | D | 30.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | | | trans | -162.7 | 92.8 | 161.5 | -107.3 | -31.3 | 0 | 0 | 0 | 110.4 | | |
| 335 | K | 31.3 | Very low | 32.7 | Very low | 205 Ų | 205 | 140.5 Ų | 140.5 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | 160.9 | 105.7 | 158.1 | -91.4 | 152.1 | -170.3 | 169.4 | 0 | 111.3 | | |
| 336 | E | 33.8 | Very low | 32.5 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | | | trans | -163.4 | 156.1 | 131.6 | -114.4 | 169.4 | -157.5 | 0 | 0 | 109.8 | | |
| 337 | Q | 31.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -131.1 | 132.4 | -159.3 | -83.1 | -170.1 | -98.9 | 0 | 0 | 114.6 | | |
| 338 | Y | 25 | Very low | 31.9 | Very low | 198 Ų | 198 | 149 Ų | 149 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 69 | 164 | 141.2 | -84.2 | -106.4 | 0 | 0 | 0 | 120.8 | | |
| 339 | N | 28.2 | Very low | 31.9 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 72.5 | 144.3 | 169.1 | -61.5 | -13 | 0 | 0 | 0 | 116.2 | | |
| 340 | T | 31.2 | Very low | 31.6 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | -156 | 127.3 | -2.3 | 11.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 341 | T | 30.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | | 80.3 | 104.9 | 90.9 | -53.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 342 | E | 27.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 58.7 | 143.9 | 148.5 | -60.7 | 171.2 | -160.8 | 0 | 0 | 122.5 | | |
| 343 | I | 32.6 | Very low | 31.1 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | | 164.4 | 134.2 | 111.1 | -85.5 | 176.2 | 0 | 0 | 0 | 112.3 | | |
| 344 | N | 31.6 | Very low | 31.4 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 66.5 | 153.6 | 159.5 | -75.9 | -20.9 | 0 | 0 | 0 | 122.3 | | |
| 345 | T | 30.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -167.3 | 177.9 | -45.3 | 10.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 346 | M | 31.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | 81.2 | 112.1 | 169.5 | -48.2 | -58.5 | -94.1 | 0 | 0 | 115.6 | | |
| 347 | N | 31.4 | Very low | 31.4 | Very low | 116 Ų | 116 | 146 Ų | 146 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | | | | 82.7 | 135.9 | 68.2 | -74 | -20.9 | 0 | 0 | 0 | 113.2 | | |
| 348 | Y | 31.2 | Very low | 31.2 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | cis | -137.9 | 173.3 | 11.8 | -97.7 | -81.2 | 0 | 0 | 0 | 112.2 | | |
| 349 | P | 34.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | trans | -113.7 | -141.1 | -172.7 | 44.2 | -32.1 | 0 | 0 | 0 | 114.4 | | |
| 350 | Y | 31.2 | Very low | 32 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | | | trans | 79.8 | 142.7 | -167.9 | -62.9 | -89.8 | 0 | 0 | 0 | 114.2 | | |
| 351 | Y | 33.3 | Very low | 32.2 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | | | cis | -126.2 | 168.3 | 12.1 | -130.7 | -90.3 | 0 | 0 | 0 | 112.4 | | |
| 352 | S | 28.7 | Very low | 32.5 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -128.2 | -170.3 | -179.7 | -56 | 0 | 0 | 0 | 0 | 112.3 | | |
| 353 | D | 33.2 | Very low | 33 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | 95.7 | 146.6 | 153.6 | -79.6 | 26.6 | 0 | 0 | 0 | 120.8 | | |
| 354 | P | 39.2 | Very low | 33.2 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | | | | -145.1 | -157.3 | -125.3 | 39.4 | -15.3 | 0 | 0 | 0 | 115.6 | | |
| 355 | L | 31.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 73.5 | 141.1 | 166.8 | -61.3 | 158.4 | 0 | 0 | 0 | 115.1 | | |
| 356 | F | 33.2 | Very low | 33.6 | Very low | 177 Ų | 177 | 138 Ų | 138 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | | -165.8 | 138.8 | 76.8 | -113.4 | -92.6 | 0 | 0 | 0 | 115.2 | | |
| 357 | T | 32.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 51.2 | 133.5 | 150.2 | 45 | 0 | 0 | 0 | 0 | 124.2 | | |
| 358 | T | 26.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -84.9 | 150.3 | 164.7 | 50.8 | 0 | 0 | 0 | 0 | 114 | | |
| 359 | T | 34.7 | Very low | 34.2 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | | | trans | -141.5 | 165.4 | 157.4 | -35.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 360 | S | 35.1 | Very low | 34.2 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | -138.4 | 142.6 | -145.5 | 57.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 361 | L | 35 | Very low | 33.9 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | 63.3 | 172.2 | 144.6 | -77.9 | 158.9 | 0 | 0 | 0 | 118.5 | | |
| 362 | P | 38.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | | | cis | -132.8 | 179.3 | -15.5 | 30.6 | -9.1 | 0 | 0 | 0 | 116.4 | | |
| 363 | S | 37.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | trans | 59.8 | 120 | 146.8 | 51.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 364 | L | 37.7 | Very low | 33.4 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | | 80.1 | 155.2 | 72.7 | -101.2 | 73.4 | 0 | 0 | 0 | 115.1 | | |
| 365 | P | 38.4 | Very low | 33 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | cis | -137.3 | -175.4 | -7 | 41.1 | -21.8 | 0 | 0 | 0 | 117.3 | | |
| 366 | S | 31.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -44.2 | 153.1 | 174.5 | 56.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 367 | S | 36.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | 179.6 | 104.3 | 131.9 | 51.8 | 0 | 0 | 0 | 0 | 111 | | |
| 368 | S | 33.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | 73.8 | 125.7 | 87.9 | 68.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 369 | P | 36.9 | Very low | 32.3 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -98.1 | 160.9 | -171.3 | 38.8 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 370 | S | 34.2 | Very low | 32.3 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -155.7 | 146.1 | 167.6 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 371 | S | 26.6 | Very low | 31.9 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -81.6 | 152.3 | -177 | 53.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 372 | I | 31.5 | Very low | 31.7 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | -159.6 | 108.9 | 152.7 | -96.1 | 139.2 | 0 | 0 | 0 | 105.9 | | |
| 373 | T | 29.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | 77.7 | 128.9 | 85.3 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 374 | M | 23.5 | Very low | 31.1 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | | | trans | -70.3 | 147.5 | -176.5 | -70.7 | -91.7 | -77.2 | 0 | 0 | 113.7 | | |
| 375 | T | 29.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -142.8 | 123.1 | 157.1 | -35.6 | 0 | 0 | 0 | 0 | 111 | | |
| 376 | T | 25.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -82.7 | 136.2 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 377 | V | 30.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -134.8 | 105.4 | 165.4 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 378 | N | 25.7 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 147.8 | 165.5 | -82.2 | -34.3 | 0 | 0 | 0 | 110.6 | | |
| 379 | R | 28.7 | Very low | 29.7 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | | | trans | -170.1 | 141.6 | 142.9 | -113.4 | 177.5 | 174.6 | 179.2 | -1.2 | 115.7 | | |
| 380 | H | 32.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 143 Ų | 143 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | trans | 55.9 | 108.2 | 160.7 | -58.3 | -64.8 | 0 | 0 | 0 | 118.4 | | |
| 381 | Q | 27.6 | Very low | 29 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | | 84.7 | 112.8 | 67.4 | -82.2 | -179.3 | -33.1 | 0 | 0 | 114.9 | | |
| 382 | S | 30.8 | Very low | 29 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | -176.3 | 147.1 | 122.3 | 45 | 0 | 0 | 0 | 0 | 114.4 | | |
| 383 | S | 32.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 46 | 93.8 | 156 | 50 | 0 | 0 | 0 | 0 | 122 | | |
| 384 | L | 29.1 | Very low | 28.7 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -36.7 | 166.8 | 133.1 | -87.8 | 167.4 | 0 | 0 | 0 | 115 | F386 | L384-F386 HydrophobicContact CD1-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CD2 4.3Å |
| 385 | P | 34.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -148.5 | 154.7 | 43.7 | 42.1 | -21.4 | 0 | 0 | 0 | 121.9 | | |
| 386 | F | 26.8 | Very low | 28.9 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 36.4 | 128.6 | 138.6 | -76.2 | -104.7 | 0 | 0 | 0 | 121.4 | L384 | L384-F386 HydrophobicContact CD1-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CD2 4.3Å |
| 387 | W | 30 | Very low | 29.1 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | | | | -142.8 | 145.8 | 90.8 | -105 | 85.3 | 0 | 0 | 0 | 110.1 | | |
| 388 | N | 25.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | -150.3 | 140.9 | -177.9 | -127.3 | 19 | 0 | 0 | 0 | 107.7 | | |
| 389 | S | 30.6 | Very low | 29.2 | Very low | 90 Ų | 90 | 146 Ų | 146 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | -167.3 | 131.6 | 163 | -100.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 390 | I | 30.3 | Very low | 29.2 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | trans | 54.7 | 98.6 | 143.9 | -51.1 | 166.9 | 0 | 0 | 0 | 114.7 | | |
| 391 | Q | 27 | Very low | 29.2 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | cis | 76.5 | 138 | 27.6 | -135.1 | -162.4 | -49.9 | 0 | 0 | 115.5 | | |
| 392 | D | 26.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | 65.6 | 112.6 | 168.8 | -50.8 | -24.2 | 0 | 0 | 0 | 119.6 | | |
| 393 | L | 30.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | | | | -171.3 | 110.3 | 117.6 | -103 | 162.3 | 0 | 0 | 0 | 112.2 | | |
| 394 | D | 25.1 | Very low | 29 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | trans | -84 | 161.3 | 167.9 | -90.9 | -53.5 | 0 | 0 | 0 | 111.9 | | |
| 395 | S | 26.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 123.4 | 162.3 | -51.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 396 | Y | 30.5 | Very low | 28.9 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | | -171.6 | 150.3 | 106.3 | -113.4 | -82.1 | 0 | 0 | 0 | 112.3 | | |
| 397 | S | 29.1 | Very low | 28.8 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | 25.3 | 126.3 | 164.4 | -64 | 0 | 0 | 0 | 0 | 121 | | |
| 398 | L | 26 | Very low | 28.8 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | | 52.7 | 130.3 | 77.8 | -77.3 | 82.8 | 0 | 0 | 0 | 112.8 | | |
| 399 | T | 31.5 | Very low | 28.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | | -154.1 | 147.5 | 50.7 | 44.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 400 | H | 29.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | | | trans | 49.6 | 145.9 | 140.9 | -67.3 | -73.3 | 0 | 0 | 0 | 121 | | |
| 401 | H | 32.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | | | cis | -152.6 | 153.7 | 18.5 | -115.7 | -56.1 | 0 | 0 | 0 | 111.8 | | |
| 402 | N | 30.7 | Very low | 28.6 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | 46.3 | 142.9 | 141.1 | -66.1 | 14.3 | 0 | 0 | 0 | 122.1 | | |
| 403 | S | 29.4 | Very low | 28.7 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | cis | -171.1 | 154.3 | -6.7 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 404 | N | 28 | Very low | 28.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | 61.5 | 105.1 | 151.6 | -57.7 | -10.6 | 0 | 0 | 0 | 119.1 | | |
| 405 | N | 30.4 | Very low | 28.5 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | | | trans | -139.8 | 151.2 | 132.8 | -114.3 | -42.5 | 0 | 0 | 0 | 109.9 | | |
| 406 | Y | 30.2 | Very low | 28.4 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | -79.2 | 146.9 | -160.3 | -83.3 | -100 | 0 | 0 | 0 | 114.8 | | |
| 407 | I | 24.4 | Very low | 28.2 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | trans | -113 | 120.7 | 174.9 | -62.1 | 173.8 | 0 | 0 | 0 | 110.7 | | |
| 408 | T | 30.4 | Very low | 28 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -144.6 | 110.2 | 149.7 | 45.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 409 | N | 27.5 | Very low | 28.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | | | | 61.7 | 123.5 | 75.5 | -67.2 | -26.4 | 0 | 0 | 0 | 112.5 | | |
| 410 | T | 28.1 | Very low | 28 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | cis | -158.3 | -163.9 | -14.3 | -8.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 411 | I | 29.9 | Very low | 28 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | | | cis | -142.9 | 155.6 | 24.3 | -61.4 | 168.8 | 0 | 0 | 0 | 110.6 | | |
| 412 | I | 24.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | | | trans | -45.1 | 142.1 | 171.1 | -61.9 | 149.3 | 0 | 0 | 0 | 117.5 | T414 | I412-T414 HydrophobicContact CG2-CG2 4.44Š|
| 413 | S | 27 | Very low | 27.5 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | | | trans | -152.8 | 131.6 | 131.1 | -82.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 414 | T | 25.3 | Very low | 27.2 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | -99.1 | 154.6 | -174.5 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | I412 | I412-T414 HydrophobicContact CG2-CG2 4.44Š|
| 415 | M | 25.9 | Very low | 27.4 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | -171.2 | 148.8 | 130.1 | -100.8 | -59.4 | 165.2 | 0 | 0 | 111.7 | | |
| 416 | Y | 24.8 | Very low | 27.5 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | -75.9 | 153.1 | -178.1 | -73.2 | -110.3 | 0 | 0 | 0 | 112.9 | | |
| 417 | S | 27.2 | Very low | 27.3 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 173 | 145.2 | 109.8 | -76 | 0 | 0 | 0 | 0 | 112.8 | P419 | S417-P419 WeakPolarHBondContact O-CD 3.37Š|
| 418 | S | 23.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -111.2 | 112.3 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | N420 | S418-N420 PolarHBondContact O-N 2.85Š|
| 419 | P | 32 | Very low | 27.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -36.4 | 41.4 | 161.2 | 37.1 | -14 | 0 | 0 | 0 | 123 | S417 W421 | S417-P419 WeakPolarHBondContact O-CD 3.37Å; P419-W421 PolarHBondContact O-N 2.97Å |
| 420 | N | 26.5 | Very low | 27.3 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -78.8 | 90.3 | -178.8 | -148.7 | 13.8 | 0 | 0 | 0 | 111.7 | S418 | S418-N420 PolarHBondContact O-N 2.85Š|
| 421 | W | 28.5 | Very low | 27.2 | Very low | 202 Ų | 202 | 135 Ų | 135 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -113.2 | 76.7 | -171 | -82.2 | 57.8 | 0 | 0 | 0 | 113.8 | P419 L423 | P419-W421 PolarHBondContact O-N 2.97Å; W421-L423 HydrophobicContact CD2-CD1 4.42Å; W421-L423 HydrophobicContact CE3-CD1 3.85Å; W421-L423 HydrophobicContact CZ3-CD1 3.97Å |
| 422 | S | 24.5 | Very low | 27.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -93.7 | 91.3 | 161.6 | 59 | 0 | 0 | 0 | 0 | 110 | | |
| 423 | L | 28.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | | | trans | -129.7 | 90.3 | -178.4 | -79 | 176.6 | 0 | 0 | 0 | 113.3 | W421 P425 | W421-L423 HydrophobicContact CD2-CD1 4.42Å; W421-L423 HydrophobicContact CE3-CD1 3.85Å; W421-L423 HydrophobicContact CZ3-CD1 3.97Å; L423-P425 WeakPolarHBondContact O-CD 3.47Å |
| 424 | S | 24.1 | Very low | 27.4 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -72.6 | 121.6 | 168.4 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | S426 | S424-S426 PolarHBondContact O-N 2.98Å; S424-S426 VanDerWaalsContact O-N 3.17Å |
| 425 | P | 32.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -76.1 | 104.7 | 175.2 | -15.8 | 31.8 | 0 | 0 | 0 | 111.4 | L423 | L423-P425 WeakPolarHBondContact O-CD 3.47Š|
| 426 | S | 30.6 | Very low | 27.6 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.2 | 173.4 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | S424 L428 | S424-S426 PolarHBondContact O-N 2.98Å; S424-S426 VanDerWaalsContact O-N 3.17Å; S426-L428 PolarHBondContact O-N 2.97Å |
| 427 | I | 26 | Very low | 27.8 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 116.8 | 176.7 | -57.3 | 168.3 | 0 | 0 | 0 | 109.3 | | |
| 428 | L | 29.8 | Very low | 27.8 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 134.7 | 157.7 | -101.9 | 76.2 | 0 | 0 | 0 | 110.1 | S426 | S426-L428 PolarHBondContact O-N 2.97Š|
| 429 | S | 24.5 | Very low | 28.1 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -122.9 | 118.8 | -175.4 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 430 | S | 30 | Very low | 27.9 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -157.6 | 149.9 | 164.8 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 431 | S | 25.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | | 172.6 | 73.3 | -50.5 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 432 | S | 30.7 | Very low | 27.8 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -161 | 117.5 | 163.7 | 35.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 433 | S | 25.1 | Very low | 27.9 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | cis | 85.7 | 138.9 | 43.9 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 434 | L | 29.6 | Very low | 27.8 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | 74 | 140.8 | -174 | -48.7 | 170.2 | 0 | 0 | 0 | 114.6 | | |
| 435 | S | 29.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | cis | -160.1 | 165.6 | -18 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 436 | S | 25.4 | Very low | 27.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -32.6 | 151.1 | 164.6 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 437 | S | 30.2 | Very low | 27.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | | -163.6 | 175.8 | 61.8 | 50.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 438 | S | 26.1 | Very low | 28 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -45.8 | 159.3 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 439 | V | 29.2 | Very low | 28.1 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | -147.6 | 144.5 | 82.6 | 152.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 440 | S | 27.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -26.8 | 149.1 | 166.5 | -40.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 441 | Y | 23.9 | Very low | 28.4 | Very low | 237 Ų | 237 | 127.9 Ų | 127.9 | 93% | 0.929 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 141.4 | 151.8 | -83.4 | -106.1 | 0 | 0 | 0 | 110.4 | | |
| 442 | S | 30.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -148 | 136.1 | 165 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 443 | N | 27 | Very low | 28.7 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -73.9 | 152.2 | -176.3 | -58.5 | -25.6 | 0 | 0 | 0 | 112.3 | | |
| 444 | C | 26.9 | Very low | 29.1 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 92% | 0.919 | 79% | 0.789 | S | S | * | * | | | trans | -148 | 161.3 | 147.8 | -105 | 0 | 0 | 0 | 0 | 111.2 | | |
| 445 | T | 29.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | trans | -139.4 | 172.3 | -157 | -36.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 446 | T | 28.4 | Very low | 28.9 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | 67.5 | 112.1 | 158.4 | 32.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 447 | C | 30.4 | Very low | 29 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 86% | 0.858 | 78% | 0.776 | S | S | * | * | | | | -176.2 | 106.6 | 118 | -94.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 448 | A | 28 | Very low | 29 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | | 86.8 | 148.6 | 60.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 449 | L | 32.4 | Very low | 28.9 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | 74.8 | 138.2 | -172.2 | -47 | 174.4 | 0 | 0 | 0 | 115.2 | | |
| 450 | S | 32 | Very low | 28.7 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | cis | -162.2 | 154.6 | -23.3 | 39.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 451 | L | 28.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -70.9 | 178.6 | 175.4 | -106.2 | 75 | 0 | 0 | 0 | 112.7 | | |
| 452 | P | 33.3 | Very low | 28.7 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | cis | -149.8 | 166.9 | 27.4 | 44 | -24.1 | 0 | 0 | 0 | 120.3 | | |
| 453 | S | 30.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | 57.4 | 160.7 | 136.5 | 75.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 454 | L | 32 | Very low | 28.6 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | cis | -144 | -142.1 | 2 | -153.5 | 72.4 | 0 | 0 | 0 | 110.7 | | |
| 455 | P | 30.7 | Very low | 28.7 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | | | trans | -127.4 | 174.8 | -130.3 | 45.1 | -26.3 | 0 | 0 | 0 | 118.6 | | |
| 456 | S | 25.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | 46.7 | 125.4 | 141.7 | 65 | 0 | 0 | 0 | 0 | 122.9 | | |
| 457 | S | 26.5 | Very low | 28.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 58.2 | 109.1 | 139.7 | 63 | 0 | 0 | 0 | 0 | 120.5 | | |
| 458 | L | 30.2 | Very low | 28.5 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | | | trans | -135.3 | 155.4 | 144.1 | -77.4 | 179.6 | 0 | 0 | 0 | 110.2 | | |
| 459 | S | 23.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -132.8 | -163 | -176.2 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 460 | L | 26 | Very low | 28.2 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | | | trans | 77.4 | 149 | -176 | -42.5 | 162.4 | 0 | 0 | 0 | 113.1 | | |
| 461 | Y | 26.4 | Very low | 28 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | cis | -119.7 | 148.7 | -3.4 | -81 | -104.4 | 0 | 0 | 0 | 108.5 | | |
| 462 | S | 24.4 | Very low | 28 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | | | cis | 83.5 | 105.9 | 38.3 | -171.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 463 | T | 29.7 | Very low | 27.5 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -146.4 | 140.9 | 142.2 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 464 | N | 25.3 | Very low | 27.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -91.8 | 160.5 | -173.8 | -64.7 | -77.9 | 0 | 0 | 0 | 113.4 | | |
| 465 | I | 29.9 | Very low | 27.1 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | | | | -161.3 | 145.8 | 120.2 | -99.1 | 153 | 0 | 0 | 0 | 108.9 | | |
| 466 | S | 24.6 | Very low | 26.8 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -133.4 | 149.9 | -165.2 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 467 | K | 31.3 | Very low | 26.9 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -176 | 85.5 | 158.8 | -102.3 | 157.8 | -175.1 | 178.7 | 0 | 108.5 | | |
| 468 | S | 27 | Very low | 26.8 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | | 67.4 | 90.2 | 79.1 | 77.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 469 | F | 29.4 | Very low | 26.6 | Very low | 226 Ų | 226 | 145.7 Ų | 145.7 | 99% | 0.991 | 78% | 0.783 | S | S | * | * | | | trans | -139.4 | 144.8 | 138.4 | -114.1 | -81.6 | 0 | 0 | 0 | 108.5 | | |
| 470 | N | 25.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -147.2 | 116.9 | -158.2 | -178.3 | 2.2 | 0 | 0 | 0 | 111.3 | | |
| 471 | K | 28.6 | Very low | 26.6 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 99.8 | 153.1 | -123.8 | -178.1 | 176.9 | -174.5 | 0 | 114.2 | | |
| 472 | Q | 28.3 | Very low | 26.5 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | | 64.7 | 115.1 | 120.6 | -157.6 | 162.4 | 21.3 | 0 | 0 | 119.8 | | |
| 473 | I | 22.8 | Very low | 26.4 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 142.5 | 173 | -61.4 | 155.8 | 0 | 0 | 0 | 111 | | |
| 474 | V | 28.4 | Very low | 26.3 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -138.2 | 145.7 | 154.7 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 475 | S | 25 | Very low | 26.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -105.8 | 168.5 | -173.7 | -48.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 476 | N | 24.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | 71.1 | 95.6 | 164.5 | -60.2 | -2.2 | 0 | 0 | 0 | 118.3 | | |
| 477 | S | 28.1 | Very low | 26.5 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -145.7 | 133.6 | 130.8 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 478 | T | 23.7 | Very low | 26.2 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | | | trans | -92.1 | 113.1 | 168.3 | 43.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 479 | E | 27.2 | Very low | 26.2 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | | | trans | -125.6 | 134.2 | 169.5 | -68.2 | -167.3 | 152.9 | 0 | 0 | 110.7 | | |
| 480 | V | 22.8 | Very low | 26 | Very low | 153 Ų | 153 | 142 Ų | 142 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | trans | -87.6 | 111.7 | 174.1 | 176 | 0 | 0 | 0 | 0 | 106.9 | | |
| 481 | I | 26.1 | Very low | 26.2 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 115.9 | 177.5 | -60.5 | -176.5 | 0 | 0 | 0 | 109.7 | | |
| 482 | Q | 24.2 | Very low | 26.2 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | | | trans | -69.8 | 135 | 175.1 | -178.9 | 175.1 | -70.6 | 0 | 0 | 110.3 | D484 | Q482-D484 PolarHBondContact NE2-OD2 2.92Å; Q482-D484 PolarHBondContact O-N 2.86Å |
| 483 | C | 23 | Very low | 26.2 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -90.3 | 90.3 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 111 | | |
| 484 | D | 26.6 | Very low | 26.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 136.5 | 167.9 | -72.3 | -57.3 | 0 | 0 | 0 | 111.1 | Q482 | Q482-D484 PolarHBondContact NE2-OD2 2.92Å; Q482-D484 PolarHBondContact O-N 2.86Å |
| 485 | P | 27 | Very low | 26.3 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137.6 | -174.9 | 30.7 | -34.6 | 0 | 0 | 0 | 112.4 | T487 | P485-T487 PolarHBondContact O-N 3.25Š|
| 486 | L | 29.1 | Very low | 26.5 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 129.5 | 177 | -96.4 | 164.3 | 0 | 0 | 0 | 111.9 | | |
| 487 | T | 27.6 | Very low | 26.4 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 131.1 | -168 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | P485 | P485-T487 PolarHBondContact O-N 3.25Š|
| 488 | T | 25.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.9 | 162.4 | 48.5 | 0 | 0 | 0 | 0 | 110 | L490 | T488-L490 PolarHBondContact O-N 3.17Š|
| 489 | S | 26.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -75.7 | 101.7 | 173.4 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 490 | L | 26.7 | Very low | 26 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | | | trans | -110.8 | 127.6 | 166.7 | -172.8 | 71 | 0 | 0 | 0 | 108.8 | T488 | T488-L490 PolarHBondContact O-N 3.17Š|
| 491 | S | 28.3 | Very low | 25.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | -124 | 122.8 | -179.2 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 492 | N | 28.5 | Very low | 25.8 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | 69.2 | 139.3 | 166.8 | -52.7 | -18.1 | 0 | 0 | 0 | 116.6 | | |
| 493 | L | 28.4 | Very low | 25.7 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | cis | 173.9 | 133.8 | -26.8 | -114.7 | 165.1 | 0 | 0 | 0 | 105.7 | | |
| 494 | N | 28.5 | Very low | 25.7 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | 114.4 | 134.5 | 152.5 | -60.7 | -25.9 | 0 | 0 | 0 | 116.6 | | |
| 495 | G | 25.6 | Very low | 25.6 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | 131 | 69.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 496 | N | 27.9 | Very low | 25.3 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | trans | 67.4 | 113.4 | 150.4 | -52.7 | -15.4 | 0 | 0 | 0 | 118.7 | | |
| 497 | E | 23.2 | Very low | 25 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 154.8 | 175.7 | -51.9 | 172.8 | 123.4 | 0 | 0 | 112.8 | | |
| 498 | S | 25.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -158.8 | 100.9 | 143.3 | -9.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 499 | F | 21.8 | Very low | 24.7 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 75% | 0.746 | 79% | 0.785 | S | S | * | * | | | trans | -78.2 | 125.3 | 175.4 | -73.5 | -93.7 | 0 | 0 | 0 | 111.2 | | |
| 500 | F | 23 | Very low | 24.5 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -126.3 | 104.5 | 161.2 | -85.9 | -80.9 | 0 | 0 | 0 | 110.7 | | |
| 501 | I | 21.1 | Very low | 24.5 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -83.1 | 115 | 168.9 | -60.2 | 172.5 | 0 | 0 | 0 | 107.5 | Y503 | I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE2 4.35Å |
| 502 | Q | 22.6 | Very low | 24.4 | Very low | 166 Ų | 166 | 151 Ų | 151 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -130.5 | 102.1 | 170.5 | -168.8 | 165.5 | 15.7 | 0 | 0 | 112.3 | | |
| 503 | Y | 22.3 | Very low | 24.2 | Very low | 206 Ų | 206 | 153.3 Ų | 153.3 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | -59.9 | 138.5 | 155.8 | -71.3 | -102.8 | 0 | 0 | 0 | 109.5 | I501 | I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE2 4.35Å |
| 504 | N | 23.6 | Very low | 24.2 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | -165.9 | 111.3 | 142.5 | -104.8 | -39 | 0 | 0 | 0 | 115.3 | | |
| 505 | N | 23.8 | Very low | 24.1 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | | | | 36.5 | 111 | 129.8 | -64.3 | -53 | 0 | 0 | 0 | 120.4 | S507 | N505-S507 PolarHBondContact O-N 3.07Å; N505-S507 PolarHBondContact O-OG 3.16Å |
| 506 | C | 20.7 | Very low | 24.1 | Very low | 139 Ų | 139 | 157.9 Ų | 157.9 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | trans | -49.8 | 120.5 | 158.9 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 507 | S | 23.5 | Very low | 23.9 | Very low | 100 Ų | 100 | 155.2 Ų | 155.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -127.5 | 109.5 | -174.2 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | N505 | N505-S507 PolarHBondContact O-N 3.07Å; N505-S507 PolarHBondContact O-OG 3.16Å |
| 508 | Y | 22 | Very low | 24 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -67.6 | 134.7 | 173.2 | -84.3 | -102.6 | 0 | 0 | 0 | 111.1 | | |
| 509 | L | 25 | Very low | 24 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -131.5 | 91.8 | 174.5 | -115.4 | 158.3 | 0 | 0 | 0 | 112.3 | | |
| 510 | N | 22.9 | Very low | 24.1 | Very low | 152 Ų | 152 | 155.4 Ų | 155.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -75.6 | 131.6 | 162.9 | -90.7 | -70.2 | 0 | 0 | 0 | 109.9 | | |
| 511 | K | 25.8 | Very low | 24.3 | Very low | 191 Ų | 191 | 154.3 Ų | 154.3 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -141 | 161.2 | 156.1 | -95.6 | -179.4 | -178.4 | 174.7 | 0 | 110.2 | | |
| 512 | P | 26.7 | Very low | 24.5 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -108.3 | 169.7 | -134.5 | 39.8 | -37.5 | 0 | 0 | 0 | 117.2 | | |
| 513 | K | 24.7 | Very low | 24.6 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 157.6 | 175.9 | -47.4 | 161.7 | -177.1 | 173.7 | 0 | 113.5 | | |
| 514 | Y | 27.9 | Very low | 24.8 | Very low | 213 Ų | 213 | 154.4 Ų | 154.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | | -159.3 | 147.7 | 121.9 | -107.8 | -77.2 | 0 | 0 | 0 | 110.9 | | |
| 515 | L | 26.7 | Very low | 24.8 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | 27.8 | 147.9 | 160.6 | -90.6 | 31.6 | 0 | 0 | 0 | 122 | | |
| 516 | S | 25.1 | Very low | 25 | Very low | 90 Ų | 90 | 154 Ų | 154 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | cis | -176.5 | 126.7 | -10.9 | 158.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 517 | S | 24.1 | Very low | 25.1 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | 63.9 | 159.1 | 154.5 | 95.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 518 | S | 24.7 | Very low | 25.4 | Very low | 87 Ų | 87 | 155.5 Ų | 155.5 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | | | cis | -156.4 | 173.3 | -5.7 | -163 | 0 | 0 | 0 | 0 | 110.4 | | |
| 519 | Y | 26.8 | Very low | 25.5 | Very low | 211 Ų | 211 | 151.9 Ų | 151.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 75.7 | 153.1 | 171.5 | -63.5 | -74.9 | 0 | 0 | 0 | 117.5 | | |
| 520 | N | 23.7 | Very low | 25.6 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -126.8 | 154.2 | -171.4 | -21.4 | -101.7 | 0 | 0 | 0 | 108.2 | | |
| 521 | E | 26.7 | Very low | 25.7 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | | -163.6 | 163.5 | 123.1 | -110.4 | 164.6 | -164.2 | 0 | 0 | 113.5 | | |
| 522 | Y | 25 | Very low | 25.7 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | 20.4 | 125.7 | 174.6 | -75.7 | -85.7 | 0 | 0 | 0 | 122.4 | Q524 | Y522-Q524 PolarHBondContact O-N 2.75Š|
| 523 | P | 24.3 | Very low | 25.7 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 99.5 | 170.3 | 34.2 | -31.8 | 0 | 0 | 0 | 112 | | |
| 524 | Q | 28 | Very low | 25.7 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -89.2 | 143.4 | 153.7 | -72.8 | -164.4 | -1.8 | 0 | 0 | 110.2 | Y522 | Y522-Q524 PolarHBondContact O-N 2.75Š|
| 525 | S | 23.4 | Very low | 25.9 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -106.9 | 83.2 | -163.1 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 526 | V | 26.4 | Very low | 26.1 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | trans | -133.7 | 125.3 | 156.7 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | I528 | V526-I528 HydrophobicContact CG1-CD1 4.12Å; V526-I528 HydrophobicContact CG1-CG1 4.04Å |
| 527 | L | 24 | Very low | 26.1 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -123.8 | 90.6 | 177.7 | -129.1 | 173.8 | 0 | 0 | 0 | 108.2 | | |
| 528 | I | 28.9 | Very low | 26.4 | Very low | 114 Ų | 114 | 155 Ų | 155 | 59% | 0.585 | 78% | 0.782 | S | S | * | * | | | trans | -113.2 | 108.1 | 170.1 | -65 | 176 | 0 | 0 | 0 | 106.8 | V526 S530 | V526-I528 HydrophobicContact CG1-CD1 4.12Å; V526-I528 HydrophobicContact CG1-CG1 4.04Å; I528-S530 PolarHBondContact O-N 3.04Å |
| 529 | N | 23.9 | Very low | 26.6 | Very low | 154 Ų | 154 | 158 Ų | 158 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -81.1 | 93.8 | 168.1 | -82.4 | 3.2 | 0 | 0 | 0 | 108.7 | | |
| 530 | S | 28.7 | Very low | 26.5 | Very low | 76 Ų | 76 | 154 Ų | 154 | 53% | 0.531 | 79% | 0.791 | S | S | . | * | | | trans | -111.9 | 116.8 | 160.3 | 54.2 | 0 | 0 | 0 | 0 | 108 | I528 Y532 | I528-S530 PolarHBondContact O-N 3.04Å; S530-Y532 PolarHBondContact O-N 3.48Å; S530-Y532 VanDerWaalsContact O-N 3.16Å |
| 531 | M | 25 | Very low | 26.8 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -69.7 | 113.1 | -178.5 | -60.2 | -164 | -54.5 | 0 | 0 | 109.9 | R533 | M531-R533 PolarHBondContact O-N 3.22Š|
| 532 | Y | 25 | Very low | 26.6 | Very low | 222 Ų | 222 | 152.4 Ų | 152.4 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | trans | -65.9 | 119.2 | 160.2 | -80.1 | -92.9 | 0 | 0 | 0 | 107.8 | S530 | S530-Y532 PolarHBondContact O-N 3.48Å; S530-Y532 VanDerWaalsContact O-N 3.16Å |
| 533 | R | 26.5 | Very low | 26.8 | Very low | 202 Ų | 202 | 152 Ų | 152 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -97 | 112.2 | 171.4 | -165.6 | -179.9 | -164.5 | -87.5 | 7.3 | 107 | M531 N535 | M531-R533 PolarHBondContact O-N 3.22Å; R533-N535 PolarHBondContact NH1-OD1 3.21Å; R533-N535 VanDerWaalsContact NH1-OD1 3.16Å; R533-N535 PolarHBondContact O-N 3.12Å |
| 534 | E | 25.4 | Very low | 27.1 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -57.4 | 132.4 | 170.7 | -63.4 | 160.9 | 146.9 | 0 | 0 | 108.9 | | |
| 535 | N | 31 | Very low | 26.9 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | | | trans | -140.6 | 124.8 | 167.3 | -86.5 | -3.8 | 0 | 0 | 0 | 105.3 | R533 | R533-N535 PolarHBondContact NH1-OD1 3.21Å; R533-N535 VanDerWaalsContact NH1-OD1 3.16Å; R533-N535 PolarHBondContact O-N 3.12Å |
| 536 | D | 30.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 140.5 | -164.1 | -52.1 | -94.1 | 0 | 0 | 0 | 114.7 | S538 | D536-S538 PolarHBondContact O-N 3.03Š|
| 537 | E | 26.3 | Very low | 27.5 | Very low | 203 Ų | 203 | 153.1 Ų | 153.1 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | | | trans | -67.3 | 115.4 | 164.4 | -67.2 | -172.8 | 139 | 0 | 0 | 109.8 | | |
| 538 | S | 31 | Very low | 27.5 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -146.5 | 101.9 | 171.8 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | D536 | D536-S538 PolarHBondContact O-N 3.03Š|
| 539 | N | 27.9 | Very low | 27.5 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | 65.7 | 133.3 | 164.5 | -64.3 | -33.7 | 0 | 0 | 0 | 119.6 | | |
| 540 | P | 25.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -80 | 144.5 | 163.9 | 34.5 | -33.1 | 0 | 0 | 0 | 110.8 | | |
| 541 | V | 28.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 157.1 Ų | 157.1 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -129.2 | 121.1 | 166.8 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | F543 | V541-F543 HydrophobicContact CG1-CD2 4.14Å; V541-F543 HydrophobicContact CG1-CE2 3.78Å |
| 542 | Q | 24.5 | Very low | 27.4 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -70.5 | 138.9 | 174.6 | -60.7 | 174.3 | -79.5 | 0 | 0 | 110.2 | | |
| 543 | F | 28.7 | Very low | 27.3 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -128.7 | 127.5 | 158.2 | -88.1 | -85.5 | 0 | 0 | 0 | 108.8 | V541 | V541-F543 HydrophobicContact CG1-CD2 4.14Å; V541-F543 HydrophobicContact CG1-CE2 3.78Å |
| 544 | N | 29.3 | Very low | 27.1 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -86.9 | 158.8 | -178.4 | -66.5 | -13.5 | 0 | 0 | 0 | 111.3 | | |
| 545 | D | 24.6 | Very low | 27.1 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -61.5 | 129.2 | 179.2 | -47.4 | -90 | 0 | 0 | 0 | 113.6 | | |
| 546 | I | 31.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | | | trans | -139 | 94.7 | 151 | -55.1 | -176.7 | 0 | 0 | 0 | 110.2 | | |
| 547 | N | 29.9 | Very low | 26.5 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | | | trans | 36.9 | 113.7 | 139.7 | -55.7 | -36.6 | 0 | 0 | 0 | 121.1 | | |
| 548 | N | 25.9 | Very low | 26.4 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | | 31.8 | 112.8 | 124.9 | -59.6 | -14.1 | 0 | 0 | 0 | 120 | | |
| 549 | E | 27.7 | Very low | 26.1 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -130 | 137.8 | 124.7 | -77 | -157.2 | 135.8 | 0 | 0 | 109.6 | | |
| 550 | I | 25.1 | Very low | 26 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 65% | 0.646 | 79% | 0.793 | S | S | * | * | | | trans | -107.2 | 113.1 | -175.8 | -63 | 172.7 | 0 | 0 | 0 | 109.3 | | |
| 551 | C | 25.3 | Very low | 26.2 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -111.5 | 107.6 | 166.3 | -80.1 | 0 | 0 | 0 | 0 | 109.3 | S553 | C551-S553 PolarHBondContact O-N 2.96Š|
| 552 | H | 24.5 | Very low | 26.1 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 128.5 | -179.1 | -71.6 | -81.3 | 0 | 0 | 0 | 112 | | |
| 553 | S | 24.9 | Very low | 26.4 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -152 | 105.7 | 167 | -74.4 | 0 | 0 | 0 | 0 | 108.8 | C551 P555 | C551-S553 PolarHBondContact O-N 2.96Å; S553-P555 WeakPolarHBondContact O-CD 3.4Å |
| 554 | T | 22 | Very low | 26.6 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | | | trans | -78.9 | 129 | 176.8 | 38.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 555 | P | 24 | Very low | 26.7 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | -140.9 | 146.9 | 134.1 | 35.9 | -23 | 0 | 0 | 0 | 114.6 | S553 | S553-P555 WeakPolarHBondContact O-CD 3.4Š|
| 556 | Q | 25.6 | Very low | 26.9 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | 64.7 | 113.1 | 150.5 | -66.4 | 177.2 | -5.3 | 0 | 0 | 119.4 | | |
| 557 | Q | 23.4 | Very low | 26.9 | Very low | 190 Ų | 190 | 148 Ų | 148 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -61.1 | 122 | 173.9 | -177.7 | 175.9 | 9.6 | 0 | 0 | 112.2 | T559 | Q557-T559 PolarHBondContact O-N 2.8Š|
| 558 | S | 23.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -77.2 | 116.9 | 171.8 | 41.7 | 0 | 0 | 0 | 0 | 111 | Y560 | S558-Y560 PolarHBondContact O-N 3.37Š|
| 559 | T | 26.4 | Very low | 26.9 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | trans | -74.2 | 104.7 | 166.9 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | Q557 | Q557-T559 PolarHBondContact O-N 2.8Š|
| 560 | Y | 24.1 | Very low | 26.8 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | trans | -56.7 | 141.6 | 158.8 | -106.1 | -101.5 | 0 | 0 | 0 | 109.7 | S558 D562 | S558-Y560 PolarHBondContact O-N 3.37Å; Y560-D562 VanDerWaalsContact CD1-OD2 3.29Å; Y560-D562 WeakPolarHBondContact CD1-OD2 3.31Å |
| 561 | I | 29.1 | Very low | 27.1 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | trans | -129.7 | 85 | 169 | -56.4 | -179.7 | 0 | 0 | 0 | 106.5 | | |
| 562 | D | 26.9 | Very low | 27 | Very low | 116 Ų | 116 | 155 Ų | 155 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | -89 | 106.6 | 172 | -70.3 | -43.9 | 0 | 0 | 0 | 109.2 | Y560 | Y560-D562 VanDerWaalsContact CD1-OD2 3.29Å; Y560-D562 WeakPolarHBondContact CD1-OD2 3.31Å |
| 563 | D | 31.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 152 Ų | 152 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | | | trans | -145.5 | 47.3 | 175.8 | -99.5 | -46.2 | 0 | 0 | 0 | 112.3 | H565 | D563-H565 PolarHBondContact O-N 3.4Å; D563-H565 IonicContact OD1-CD2 3.76Å; D563-H565 IonicContact OD1-NE2 2.63Å |
| 564 | Y | 31.7 | Very low | 27.2 | Very low | 206 Ų | 206 | 153 Ų | 153 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | | | trans | -75.5 | 69.5 | 173.5 | -79.3 | -77.2 | 0 | 0 | 0 | 112.3 | Y566 | Y564-Y566 WeakPolarHBondContact O-CD2 3.45Å; Y564-Y566 PolarHBondContact O-N 3.29Å |
| 565 | H | 33.2 | Very low | 27.5 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 61% | 0.606 | 72% | 0.72 | S | S | * | * | | | trans | -74.1 | 90.6 | 179 | -94.9 | -70 | 0 | 0 | 0 | 113.5 | D563 Y567 | D563-H565 PolarHBondContact O-N 3.4Å; D563-H565 IonicContact OD1-CD2 3.76Å; D563-H565 IonicContact OD1-NE2 2.63Å; H565-Y567 HydrophobicContact CB-CD2 4.26Å; H565-Y567 HydrophobicContact CB-CE2 3.8Å; H565-Y567 WeakPolarHBondContact O-CD2 3.29Å; H565-Y567 PolarHBondContact O-N 3.5Å |
| 566 | Y | 27.4 | Very low | 27.6 | Very low | 168 Ų | 168 | 152 Ų | 152 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | | | trans | -71.1 | 108.3 | 170.8 | -77.8 | -92 | 0 | 0 | 0 | 112.4 | Y564 | Y564-Y566 WeakPolarHBondContact O-CD2 3.45Å; Y564-Y566 PolarHBondContact O-N 3.29Å |
| 567 | Y | 31.1 | Very low | 27.7 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | | | trans | -102.6 | 103.6 | 172.8 | -75.3 | -82 | 0 | 0 | 0 | 112.3 | H565 | H565-Y567 HydrophobicContact CB-CD2 4.26Å; H565-Y567 HydrophobicContact CB-CE2 3.8Å; H565-Y567 WeakPolarHBondContact O-CD2 3.29Å; H565-Y567 PolarHBondContact O-N 3.5Å |
| 568 | Y | 26.8 | Very low | 27.8 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 64% | 0.635 | 71% | 0.714 | S | S | * | * | | | trans | -80.3 | 118 | 173.6 | -70.4 | -88.6 | 0 | 0 | 0 | 111.9 | | |
| 569 | Y | 30.7 | Very low | 28.1 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 58% | 0.576 | 72% | 0.716 | S | S | * | * | | | trans | -118.9 | 106.6 | 171.9 | -75.9 | -84 | 0 | 0 | 0 | 111 | | |
| 570 | Y | 25.9 | Very low | 28.2 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | | | trans | -87.7 | 116.4 | 179.1 | -65.8 | -83.6 | 0 | 0 | 0 | 111.9 | | |
| 571 | Y | 29.5 | Very low | 28.5 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | | | trans | -112.4 | 106.9 | 173.6 | -77.9 | -87.3 | 0 | 0 | 0 | 111.5 | S573 | Y571-S573 PolarHBondContact O-N 3.46Š|
| 572 | Y | 24.7 | Very low | 28.5 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | | | trans | -75.1 | 101.9 | 175.1 | -74.2 | -86.1 | 0 | 0 | 0 | 111.7 | | |
| 573 | S | 28.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | | | trans | -93 | 111.5 | 168.7 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | Y571 P575 | Y571-S573 PolarHBondContact O-N 3.46Å; S573-P575 WeakPolarHBondContact O-CD 3.31Å |
| 574 | N | 25 | Very low | 28.8 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | trans | -73.7 | 123.3 | 178.3 | -81.1 | -80.6 | 0 | 0 | 0 | 111.3 | C576 | N574-C576 PolarHBondContact O-N 3.16Å; N574-C576 VanDerWaalsContact O-N 3.16Å |
| 575 | P | 27.3 | Very low | 28.7 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -83.8 | 88 | 176.3 | 33.5 | -33.1 | 0 | 0 | 0 | 111 | S573 | S573-P575 WeakPolarHBondContact O-CD 3.31Š|
| 576 | C | 26 | Very low | 28.4 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | trans | -134.9 | 93 | 177.9 | -77.7 | 0 | 0 | 0 | 0 | 112.5 | N574 | N574-C576 PolarHBondContact O-N 3.16Å; N574-C576 VanDerWaalsContact O-N 3.16Å |
| 577 | L | 27.6 | Very low | 28.5 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -176.4 | 91.7 | 138.1 | -103.1 | 163.5 | 0 | 0 | 0 | 110.1 | | |
| 578 | S | 27.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -69.5 | 125.4 | 160.2 | 41.7 | 0 | 0 | 0 | 0 | 109 | L580 | S578-L580 PolarHBondContact O-N 3.43Å; S578-L580 VanDerWaalsContact O-N 3.13Å |
| 579 | I | 28.8 | Very low | 28.4 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -75.1 | 103.7 | 169.3 | -64.7 | 179.3 | 0 | 0 | 0 | 107.4 | E581 | I579-E581 HydrophobicContact CG2-CB 4.44Å; I579-E581 PolarHBondContact O-N 3.26Å; I579-E581 VanDerWaalsContact O-N 3.16Å |
| 580 | L | 28.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 71% | 0.707 | 79% | 0.787 | S | S | * | * | | | trans | -81.4 | 81.1 | 173.9 | -174.5 | 75.1 | 0 | 0 | 0 | 109.2 | S578 N582 | S578-L580 PolarHBondContact O-N 3.43Å; S578-L580 VanDerWaalsContact O-N 3.13Å; L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 WeakPolarHBondContact CD2-ND2 3.39Å; L580-N582 PolarHBondContact O-N 3.28Å |
| 581 | E | 30.2 | Very low | 28.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -79.8 | 83.6 | 174.4 | -152.3 | 158 | -135.9 | 0 | 0 | 109.3 | I579 | I579-E581 HydrophobicContact CG2-CB 4.44Å; I579-E581 PolarHBondContact O-N 3.26Å; I579-E581 VanDerWaalsContact O-N 3.16Å |
| 582 | N | 30.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | | | trans | -75.8 | 144.1 | 177.2 | -81.8 | -23.6 | 0 | 0 | 0 | 111.7 | L580 | L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 WeakPolarHBondContact CD2-ND2 3.39Å; L580-N582 PolarHBondContact O-N 3.28Å |
| 583 | S | 30.8 | Very low | 28.7 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 62.4 | 139.7 | 172.8 | 62.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 584 | I | 33.5 | Very low | 28.7 | Very low | 240 Ų | 240 | 143 Ų | 143 | 100% | 1.231 | 80% | 0.803 | S | S | * | * | | | cis | -116.1 | 0 | 18.2 | -64.1 | 169.1 | 0 | 0 | 0 | 111.2 | | |