| 1 | M | 34.4 | Very low | 38 | Very low | 229 Ų | 229 | 125.7 Ų | 125.7 | 100% | 1.128 | 78% | 0.775 | S | S | * | * | | | | 0 | -8.8 | 0 | -65.3 | -168.5 | -153.6 | 0 | 0 | 114.5 | Q3 | M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.77Å |
| 2 | A | 37 | Very low | 37.9 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 17.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 3 | Q | 35.5 | Very low | 38.2 | Very low | 186 Ų | 186 | 114.6 Ų | 114.6 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -0.5 | -174 | -116.3 | 179.1 | -0.2 | 0 | 0 | 115.3 | M1 | M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.77Å |
| 4 | N | 34.7 | Very low | 38.4 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -132.5 | 22.2 | -174.4 | -100.6 | -43 | 0 | 0 | 0 | 116.2 | | |
| 5 | Y | 33.7 | Very low | 38.9 | Very low | 149 Ų | 149 | 110.1 Ų | 110.1 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | | | trans | -112 | 36.1 | 173.1 | -68.7 | -81.5 | 0 | 0 | 0 | 112.7 | G7 Q8 | Y5-G7 PolarHBondContact O-N 3.38Å; Y5-Q8 VanDerWaalsContact O-O 3.14Å |
| 6 | A | 45.4 | Very low | 39.3 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 93% | 0.926 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -0.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 7 | G | 37.4 | Very low | 39.5 | Very low | 80 Ų | 80 | 107.9 Ų | 107.9 | 83% | 0.825 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -12.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y5 | Y5-G7 PolarHBondContact O-N 3.38Š|
| 8 | Q | 40.8 | Very low | 40.2 | Very low | 138 Ų | 138 | 108.6 Ų | 108.6 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -110 | 112.9 | 171.9 | -72.5 | -174.3 | -10.2 | 0 | 0 | 106 | Y5 C10 | Y5-Q8 VanDerWaalsContact O-O 3.14Å; Q8-C10 PolarHBondContact O-N 3.06Å |
| 9 | G | 35.3 | Very low | 40.6 | Very low | 80 Ų | 80 | 110.6 Ų | 110.6 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | | | trans | -57.2 | 91.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S11 | G9-S11 PolarHBondContact O-N 3.32Š|
| 10 | C | 36.8 | Very low | 41 | Very low | 64 Ų | 64 | 109.8 Ų | 109.8 | 43% | 0.432 | 63% | 0.634 | S | S | . | * | | | trans | -68 | 91.4 | 167.3 | -69.9 | 0 | 0 | 0 | 0 | 105.8 | Q8 V12 F33 | Q8-C10 PolarHBondContact O-N 3.06Å; C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.16Å; C10-F33 WeakPolarHBondContact O-CE1 3.47Å |
| 11 | S | 46.5 | Very low | 41.3 | Very low | 91 Ų | 91 | 105.4 Ų | 105.4 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | | | trans | -69.1 | -7.2 | -178.3 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | G9 | G9-S11 PolarHBondContact O-N 3.32Š|
| 12 | V | 37.5 | Very low | 41.5 | Very low | 44 Ų | 44 | 100 Ų | 100 | 27% | 0.267 | 59% | 0.586 | S | S | . | * | | | trans | -135.4 | 117 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | C10 Y14 I37 | C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.16Å; V12-Y14 HydrophobicContact CB-CE2 4.13Å; V12-Y14 HydrophobicContact CG1-CD2 4.09Å; V12-Y14 HydrophobicContact CG1-CE1 4.2Å; V12-Y14 HydrophobicContact CG1-CE2 3.69Å; V12-I37 HydrophobicContact CG1-CD1 4.05Å; V12-I37 HydrophobicContact CG1-CG1 4.5Å |
| 13 | L | 41.8 | Very low | 41.8 | Very low | 63 Ų | 63 | 103.3 Ų | 103.3 | 33% | 0.33 | 58% | 0.577 | S | S | . | * | | | trans | -97.6 | 110.6 | 170.3 | -161.1 | 85 | 0 | 0 | 0 | 108.4 | V15 A24 | L13-V15 HydrophobicContact CD2-CG2 3.64Å; L13-V15 HydrophobicContact CG-CG2 4.04Å; L13-V15 PolarHBondContact O-N 3.48Å; L13-A24 HydrophobicContact CD2-CB 3.99Å |
| 14 | Y | 40.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 95.2 Ų | 95.2 | 54% | 0.541 | 54% | 0.541 | S | S | . | . | | | trans | -81.9 | 107.9 | 176.1 | -65.8 | -91.4 | 0 | 0 | 0 | 109.7 | V12 F16 F39 | V12-Y14 HydrophobicContact CB-CE2 4.13Å; V12-Y14 HydrophobicContact CG1-CD2 4.09Å; V12-Y14 HydrophobicContact CG1-CE1 4.2Å; V12-Y14 HydrophobicContact CG1-CE2 3.69Å; Y14-F16 HydrophobicContact CD1-CZ 4.48Å; Y14-F39 AromaticContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CZ 4.32Å; Y14-F39 AromaticContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CZ 4.16Å |
| 15 | V | 45.9 | Very low | 42.7 | Very low | 23 Ų | 23 | 90.4 Ų | 90.4 | 14% | 0.139 | 52% | 0.523 | C | S | . | . | | | trans | -108.5 | 101.8 | -177.1 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | L13 S17 L20 A21 A24 | L13-V15 HydrophobicContact CD2-CG2 3.64Å; L13-V15 HydrophobicContact CG-CG2 4.04Å; L13-V15 PolarHBondContact O-N 3.48Å; V15-S17 PolarHBondContact O-N 3.48Å; V15-L20 HydrophobicContact CG1-CB 3.78Å; V15-L20 HydrophobicContact CG1-CD2 4.11Å; V15-L20 HydrophobicContact CG1-CG 4.06Å; V15-A21 HydrophobicContact CG1-CB 3.99Å; V15-A24 HydrophobicContact CG2-CB 3.96Å |
| 16 | F | 45.5 | Very low | 43.3 | Very low | 127 Ų | 127 | 90.3 Ų | 90.3 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | | | trans | -92.1 | 64.6 | -179.8 | -62.7 | -82.7 | 0 | 0 | 0 | 111.6 | Y14 | Y14-F16 HydrophobicContact CD1-CZ 4.48Š|
| 17 | S | 43.5 | Very low | 43.1 | Very low | 57 Ų | 57 | 87.8 Ų | 87.8 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | | | trans | 169.3 | 131.9 | 166.1 | 159.3 | 0 | 0 | 0 | 0 | 109.2 | V15 Q19 L20 A21 | V15-S17 PolarHBondContact O-N 3.48Å; S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 PolarHBondContact OG-N 3.37Å; S17-Q19 VanDerWaalsContact OG-N 3.15Å; S17-L20 CarbonylContact O-C 3.03Å; S17-L20 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact OG-N 3.45Å; S17-A21 WeakPolarHBondContact O-CB 2.97Å; S17-A21 PolarHBondContact O-N 3.5Å |
| 18 | T | 50.9 | Low | 43.5 | Very low | 119 Ų | 119 | 85.4 Ų | 85.4 | 73% | 0.73 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.2 | -31.8 | 173.9 | 16.8 | 0 | 0 | 0 | 0 | 112.8 | A21 N22 | T18-A21 PolarHBondContact O-N 3.02Å; T18-N22 PolarHBondContact O-N 3.41Å |
| 19 | Q | 47.5 | Very low | 43.7 | Very low | 147 Ų | 147 | 83.7 Ų | 83.7 | 69% | 0.687 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.9 | -33.2 | 176.1 | -64.1 | -172.1 | 11.9 | 0 | 0 | 112.2 | S17 | S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 PolarHBondContact OG-N 3.37Å; S17-Q19 VanDerWaalsContact OG-N 3.15Å |
| 20 | L | 49.6 | Very low | 44.1 | Very low | 95 Ų | 95 | 84.2 Ų | 84.2 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.6 | -30.1 | 173.8 | -158.5 | 73.4 | 0 | 0 | 0 | 110.7 | V15 S17 R23 A24 | V15-L20 HydrophobicContact CG1-CB 3.78Å; V15-L20 HydrophobicContact CG1-CD2 4.11Å; V15-L20 HydrophobicContact CG1-CG 4.06Å; S17-L20 CarbonylContact O-C 3.03Å; S17-L20 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact OG-N 3.45Å; L20-R23 CarbonylContact O-C 3.55Å; L20-R23 PolarHBondContact O-N 2.89Å; L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.43Å |
| 21 | A | 46.1 | Very low | 44.2 | Very low | 17 Ų | 17 | 87.5 Ų | 87.5 | 14% | 0.14 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V15 S17 T18 R23 A24 A25 | V15-A21 HydrophobicContact CG1-CB 3.99Å; S17-A21 WeakPolarHBondContact O-CB 2.97Å; S17-A21 PolarHBondContact O-N 3.5Å; T18-A21 PolarHBondContact O-N 3.02Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.33Å; A21-A24 CarbonylContact O-C 3.48Å; A21-A24 PolarHBondContact O-N 3.35Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.41Å |
| 22 | N | 40.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 93 Ų | 93 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -36.4 | 174.2 | -78.8 | -22.1 | 0 | 0 | 0 | 112.4 | T18 Q26 | T18-N22 PolarHBondContact O-N 3.41Å; N22-Q26 WeakPolarHBondContact O-CG 3.34Å; N22-Q26 PolarHBondContact O-N 3.37Å |
| 23 | R | 42.6 | Very low | 43.7 | Very low | 171 Ų | 171 | 94 Ų | 94 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71 | -37.7 | 173.9 | -106 | -174 | -90.7 | -159.3 | -6.2 | 112.3 | L20 A21 Q26 A27 | L20-R23 CarbonylContact O-C 3.55Å; L20-R23 PolarHBondContact O-N 2.89Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.33Å; R23-Q26 PolarHBondContact O-N 3.15Å; R23-A27 PolarHBondContact O-N 3.29Å |
| 24 | A | 44 | Very low | 43.4 | Very low | 15 Ų | 15 | 98.3 Ų | 98.3 | 12% | 0.124 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L13 V15 L20 A21 Q26 A27 V28 | L13-A24 HydrophobicContact CD2-CB 3.99Å; V15-A24 HydrophobicContact CG2-CB 3.96Å; L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.43Å; A21-A24 CarbonylContact O-C 3.48Å; A21-A24 PolarHBondContact O-N 3.35Å; A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 3.19Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 WeakPolarHBondContact O-CA 3.41Å; A24-A27 PolarHBondContact O-N 3.42Å; A24-V28 VanDerWaalsContact O-CB 3.31Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.16Å |
| 25 | A | 45.7 | Very low | 42.8 | Very low | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A21 S29 | A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.41Å; A25-S29 PolarHBondContact O-N 3.24Å |
| 26 | Q | 46.4 | Very low | 42.5 | Very low | 148 Ų | 148 | 100 Ų | 100 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.1 | -30 | 171.4 | -70.8 | -179.5 | 4.3 | 0 | 0 | 113.2 | N22 R23 A24 S29 | N22-Q26 WeakPolarHBondContact O-CG 3.34Å; N22-Q26 PolarHBondContact O-N 3.37Å; R23-Q26 PolarHBondContact O-N 3.15Å; A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 3.19Å; Q26-S29 PolarHBondContact O-OG 3.48Å; Q26-S29 VanDerWaalsContact O-OG 3.08Å |
| 27 | A | 41.6 | Very low | 42.3 | Very low | 59 Ų | 59 | 97.6 Ų | 97.6 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -80 | -27.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | R23 A24 S29 C30 | R23-A27 PolarHBondContact O-N 3.29Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 WeakPolarHBondContact O-CA 3.41Å; A24-A27 PolarHBondContact O-N 3.42Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.4Å; A27-C30 PolarHBondContact O-N 3.47Å; A27-C30 VanDerWaalsContact O-N 3.16Å |
| 28 | V | 44.4 | Very low | 42 | Very low | 30 Ų | 30 | 100.7 Ų | 100.7 | 18% | 0.182 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -76.1 | -16.3 | 180 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A24 C30 H31 F33 | A24-V28 VanDerWaalsContact O-CB 3.31Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.16Å; V28-C30 PolarHBondContact O-N 3.44Å; V28-C30 VanDerWaalsContact O-N 3.07Å; V28-H31 PolarHBondContact O-N 3.36Å; V28-H31 VanDerWaalsContact O-O 3.06Å; V28-F33 HydrophobicContact CB-CD2 4.29Å; V28-F33 HydrophobicContact CG1-CB 3.99Å; V28-F33 HydrophobicContact CG1-CD2 4.05Å; V28-F33 HydrophobicContact CG2-CD2 3.72Å; V28-F33 HydrophobicContact CG2-CE2 4.34Å; V28-F33 HydrophobicContact CG2-CG 4.42Å |
| 29 | S | 45.9 | Very low | 41.2 | Very low | 101 Ų | 101 | 98.7 Ų | 98.7 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.8 | 166.5 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | A25 Q26 A27 | A25-S29 PolarHBondContact O-N 3.24Å; Q26-S29 PolarHBondContact O-OG 3.48Å; Q26-S29 VanDerWaalsContact O-OG 3.08Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.4Å |
| 30 | C | 43.3 | Very low | 40.7 | Very low | 91 Ų | 91 | 96.7 Ų | 96.7 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -13.5 | -179.4 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | A27 V28 | A27-C30 PolarHBondContact O-N 3.47Å; A27-C30 VanDerWaalsContact O-N 3.16Å; V28-C30 PolarHBondContact O-N 3.44Å; V28-C30 VanDerWaalsContact O-N 3.07Å |
| 31 | H | 39.6 | Very low | 40.2 | Very low | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.616 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -141.6 | 130.4 | -179.9 | -73.6 | -66.5 | 0 | 0 | 0 | 111.3 | V28 F33 | V28-H31 PolarHBondContact O-N 3.36Å; V28-H31 VanDerWaalsContact O-O 3.06Å; H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD2 4.17Å; H31-F33 HydrophobicContact CB-CE2 3.77Å; H31-F33 WeakPolarHBondContact O-CD2 3.33Å; H31-F33 PolarHBondContact O-N 3.03Å |
| 32 | Q | 38.3 | Very low | 39.9 | Very low | 206 Ų | 206 | 107.3 Ų | 107.3 | 96% | 0.963 | 55% | 0.551 | S | S | * | * | | | trans | -58.3 | 72.4 | -178.3 | -71.4 | 174.9 | -31.7 | 0 | 0 | 113.4 | | |
| 33 | F | 33.8 | Very low | 39.9 | Very low | 65 Ų | 65 | 106 Ų | 106 | 29% | 0.285 | 54% | 0.542 | S | S | . | . | | | trans | -87.9 | 113.8 | 164.6 | -64 | -80.2 | 0 | 0 | 0 | 108.3 | C10 V28 H31 N35 | C10-F33 WeakPolarHBondContact O-CE1 3.47Å; V28-F33 HydrophobicContact CB-CD2 4.29Å; V28-F33 HydrophobicContact CG1-CB 3.99Å; V28-F33 HydrophobicContact CG1-CD2 4.05Å; V28-F33 HydrophobicContact CG2-CD2 3.72Å; V28-F33 HydrophobicContact CG2-CE2 4.34Å; V28-F33 HydrophobicContact CG2-CG 4.42Å; H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD2 4.17Å; H31-F33 HydrophobicContact CB-CE2 3.77Å; H31-F33 WeakPolarHBondContact O-CD2 3.33Å; H31-F33 PolarHBondContact O-N 3.03Å; F33-N35 VanDerWaalsContact C-N 3.34Å |
| 34 | N | 37.3 | Very low | 40.1 | Very low | 154 Ų | 154 | 101.5 Ų | 101.5 | 82% | 0.824 | 53% | 0.528 | S | S | * | . | | | trans | -78 | -14.7 | -177.7 | -100.9 | -26.8 | 0 | 0 | 0 | 113.9 | | |
| 35 | N | 27.1 | Very low | 40.1 | Very low | 115 Ų | 115 | 108 Ų | 108 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | | | trans | -148.5 | 127.2 | 179.3 | -78.3 | -50.4 | 0 | 0 | 0 | 112.5 | F33 | F33-N35 VanDerWaalsContact C-N 3.34Š|
| 36 | I | 40.1 | Very low | 40.2 | Very low | 82 Ų | 82 | 108.8 Ų | 108.8 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | | | trans | -99.9 | 116.9 | 164.5 | -60.3 | 173 | 0 | 0 | 0 | 105.9 | E38 | I36-E38 HydrophobicContact CG2-CG 3.99Š|
| 37 | I | 41.3 | Very low | 39.8 | Very low | 76 Ų | 76 | 106 Ų | 106 | 39% | 0.39 | 54% | 0.538 | S | S | . | . | | | trans | -92.5 | 100 | 170.7 | -57.4 | 177.1 | 0 | 0 | 0 | 106.8 | V12 F39 | V12-I37 HydrophobicContact CG1-CD1 4.05Å; V12-I37 HydrophobicContact CG1-CG1 4.5Å; I37-F39 HydrophobicContact CB-CE2 4.25Å; I37-F39 HydrophobicContact CG2-CD2 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.66Å; I37-F39 HydrophobicContact CG2-CZ 3.86Å; I37-F39 PolarHBondContact O-N 2.88Å |
| 38 | E | 35.7 | Very low | 39.8 | Very low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | | | trans | -76.4 | 110.9 | 172.8 | -71.3 | -172.7 | 163.9 | 0 | 0 | 109.7 | I36 H40 | I36-E38 HydrophobicContact CG2-CG 3.99Å; E38-H40 PolarHBondContact O-N 3.4Å; E38-H40 IonicContact OE2-NE2 3.79Å |
| 39 | F | 34.2 | Very low | 39.9 | Very low | 77 Ų | 77 | 113.4 Ų | 113.4 | 34% | 0.338 | 57% | 0.565 | S | S | . | * | | | trans | -80.6 | 98.6 | 168.7 | -71.1 | -87.7 | 0 | 0 | 0 | 108.7 | Y14 I37 Q43 | Y14-F39 AromaticContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CZ 4.32Å; Y14-F39 AromaticContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CZ 4.16Å; I37-F39 HydrophobicContact CB-CE2 4.25Å; I37-F39 HydrophobicContact CG2-CD2 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.66Å; I37-F39 HydrophobicContact CG2-CZ 3.86Å; I37-F39 PolarHBondContact O-N 2.88Å; F39-Q43 HydrophobicContact CD1-CB 4.03Å; F39-Q43 VanDerWaalsContact CD1-OE1 3.3Å |
| 40 | H | 37.1 | Very low | 40 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | | | trans | -66 | 145.2 | 165.9 | -72.4 | -87.4 | 0 | 0 | 0 | 109.3 | E38 S42 Q43 | E38-H40 PolarHBondContact O-N 3.4Å; E38-H40 IonicContact OE2-NE2 3.79Å; H40-S42 PolarHBondContact O-N 3.37Å; H40-Q43 PolarHBondContact O-N 3.11Å |
| 41 | R | 39.9 | Very low | 40.2 | Very low | 239 Ų | 239 | 117.1 Ų | 117.1 | 90% | 0.902 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -43.2 | -24.4 | -176.8 | -159.8 | -175 | -146.3 | -172.9 | 5.4 | 115.7 | Q43 E44 | R41-Q43 VanDerWaalsContact C-N 3.34Å; R41-E44 WeakPolarHBondContact O-CB 3.49Å; R41-E44 PolarHBondContact O-N 3.19Å |
| 42 | S | 39.2 | Very low | 40.2 | Very low | 95 Ų | 95 | 117 Ų | 117 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -73.7 | -15.9 | 176.3 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | H40 | H40-S42 PolarHBondContact O-N 3.37Š|
| 43 | Q | 41.1 | Very low | 39.8 | Very low | 91 Ų | 91 | 110.9 Ų | 110.9 | 43% | 0.425 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -94.2 | 4.1 | 172.9 | -75.2 | -164 | 8.4 | 0 | 0 | 113.9 | F39 H40 R41 E45 T46 R47 | F39-Q43 HydrophobicContact CD1-CB 4.03Å; F39-Q43 VanDerWaalsContact CD1-OE1 3.3Å; H40-Q43 PolarHBondContact O-N 3.11Å; R41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-E45 PolarHBondContact O-N 3.32Å; Q43-T46 WeakPolarHBondContact O-CA 3.42Å; Q43-T46 WeakPolarHBondContact O-CB 3.35Å; Q43-T46 PolarHBondContact O-N 2.9Å; Q43-R47 PolarHBondContact O-N 3.36Å |
| 44 | E | 46.6 | Very low | 40.1 | Very low | 75 Ų | 75 | 113 Ų | 113 | 35% | 0.35 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.1 | -28 | 170.1 | -175.8 | 59.6 | -157.9 | 0 | 0 | 111.3 | R41 R47 Q48 | R41-E44 WeakPolarHBondContact O-CB 3.49Å; R41-E44 PolarHBondContact O-N 3.19Å; E44-R47 WeakPolarHBondContact O-CB 3.43Å; E44-R47 PolarHBondContact O-N 3.1Å; E44-R47 IonicContact OE1-CZ 3.07Å; E44-R47 IonicContact OE1-NE 2.72Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.66Å; E44-R47 PolarHBondContact OE1-NH2 3.48Å; E44-R47 WeakPolarHBondContact OE2-CD 3.31Å; E44-R47 IonicContact OE2-CZ 3.99Å; E44-R47 IonicContact OE2-NE 2.98Å; E44-R47 PolarHBondContact OE2-NE 3.4Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.9Å |
| 45 | E | 42.8 | Very low | 40.4 | Very low | 152 Ų | 152 | 110.8 Ų | 110.8 | 71% | 0.71 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.8 | -41.2 | 171.1 | -68.2 | 179.2 | 165.9 | 0 | 0 | 112.2 | Q43 R47 Q48 L49 | Q43-E45 PolarHBondContact O-N 3.32Å; E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 PolarHBondContact O-N 3.44Å; E45-Q48 PolarHBondContact O-N 2.99Å; E45-L49 PolarHBondContact O-N 3.22Å |
| 46 | T | 49.2 | Very low | 40.6 | Very low | 68 Ų | 68 | 110 Ų | 110 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -33.8 | 173.4 | -35.3 | 0 | 0 | 0 | 0 | 111 | Q43 L49 L50 | Q43-T46 WeakPolarHBondContact O-CA 3.42Å; Q43-T46 WeakPolarHBondContact O-CB 3.35Å; Q43-T46 PolarHBondContact O-N 2.9Å; T46-L49 PolarHBondContact O-N 3.35Å; T46-L50 HydrophobicContact CG2-CD1 4.35Å; T46-L50 WeakPolarHBondContact O-CD1 3.36Å; T46-L50 PolarHBondContact O-N 3.5Å |
| 47 | R | 37.2 | Very low | 40 | Very low | 88 Ų | 88 | 110.5 Ų | 110.5 | 33% | 0.332 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -41.6 | 172.8 | -163.3 | -168.5 | 75.2 | 86.5 | 9.7 | 112 | Q43 E44 E45 L49 L50 M51 | Q43-R47 PolarHBondContact O-N 3.36Å; E44-R47 WeakPolarHBondContact O-CB 3.43Å; E44-R47 PolarHBondContact O-N 3.1Å; E44-R47 IonicContact OE1-CZ 3.07Å; E44-R47 IonicContact OE1-NE 2.72Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.66Å; E44-R47 PolarHBondContact OE1-NH2 3.48Å; E44-R47 WeakPolarHBondContact OE2-CD 3.31Å; E44-R47 IonicContact OE2-CZ 3.99Å; E44-R47 IonicContact OE2-NE 2.98Å; E44-R47 PolarHBondContact OE2-NE 3.4Å; E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 PolarHBondContact O-N 3.44Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.39Å; R47-L50 PolarHBondContact O-N 2.88Å; R47-M51 PolarHBondContact NH1-SD 3.26Å; R47-M51 WeakPolarHBondContact O-CB 3.26Å; R47-M51 WeakPolarHBondContact O-CG 3.5Å; R47-M51 PolarHBondContact O-N 3.45Å |
| 48 | Q | 42.2 | Very low | 39.5 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 48% | 0.477 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.4 | -40.3 | 173.7 | -75.9 | -171.3 | 54.1 | 0 | 0 | 110.8 | E44 E45 L50 M51 L52 | E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.9Å; E45-Q48 PolarHBondContact O-N 2.99Å; Q48-L50 PolarHBondContact O-N 3.36Å; Q48-M51 PolarHBondContact O-N 3.47Å; Q48-L52 HydrophobicContact CB-CD1 4.25Å; Q48-L52 VanDerWaalsContact O-CB 3.24Å; Q48-L52 WeakPolarHBondContact O-CB 3.1Å; Q48-L52 WeakPolarHBondContact O-CD1 3.36Å; Q48-L52 WeakPolarHBondContact O-CG 3.32Å; Q48-L52 PolarHBondContact O-N 3.25Å |
| 49 | L | 45.9 | Very low | 39.1 | Very low | 143 Ų | 143 | 112.5 Ų | 112.5 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64 | -37.6 | 176 | -138.8 | 84 | 0 | 0 | 0 | 113 | E45 T46 R47 | E45-L49 PolarHBondContact O-N 3.22Å; T46-L49 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.39Å |
| 50 | L | 47.9 | Very low | 38.8 | Very low | 145 Ų | 145 | 118 Ų | 118 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.6 | -27.1 | 175.4 | -96.7 | 103.4 | 0 | 0 | 0 | 113.6 | T46 R47 Q48 | T46-L50 HydrophobicContact CG2-CD1 4.35Å; T46-L50 WeakPolarHBondContact O-CD1 3.36Å; T46-L50 PolarHBondContact O-N 3.5Å; R47-L50 PolarHBondContact O-N 2.88Å; Q48-L50 PolarHBondContact O-N 3.36Å |
| 51 | M | 48.2 | Very low | 38.3 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 62% | 0.616 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.5 | -26.1 | 178.8 | -72.2 | -154.9 | 71 | 0 | 0 | 113.6 | R47 Q48 S53 | R47-M51 PolarHBondContact NH1-SD 3.26Å; R47-M51 WeakPolarHBondContact O-CB 3.26Å; R47-M51 WeakPolarHBondContact O-CG 3.5Å; R47-M51 PolarHBondContact O-N 3.45Å; Q48-M51 PolarHBondContact O-N 3.47Å; M51-S53 VanDerWaalsContact C-N 3.27Å; M51-S53 PolarHBondContact O-N 3.41Å |
| 52 | L | 39.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 116.7 Ų | 116.7 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -89.3 | 54.7 | 176.2 | -72.6 | 157.7 | 0 | 0 | 0 | 111.3 | Q48 | Q48-L52 HydrophobicContact CB-CD1 4.25Å; Q48-L52 VanDerWaalsContact O-CB 3.24Å; Q48-L52 WeakPolarHBondContact O-CB 3.1Å; Q48-L52 WeakPolarHBondContact O-CD1 3.36Å; Q48-L52 WeakPolarHBondContact O-CG 3.32Å; Q48-L52 PolarHBondContact O-N 3.25Å |
| 53 | S | 29.2 | Very low | 37 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 54% | 0.538 | 67% | 0.671 | S | S | . | * | | | trans | -162.8 | 94.1 | 144.6 | -146.3 | 0 | 0 | 0 | 0 | 111.9 | M51 | M51-S53 VanDerWaalsContact C-N 3.27Å; M51-S53 PolarHBondContact O-N 3.41Å |
| 54 | P | 41.6 | Very low | 36.4 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -86.3 | 138.3 | 158.8 | 32.9 | -24.8 | 0 | 0 | 0 | 109.3 | | |
| 55 | A | 42.4 | Very low | 35.6 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 88% | 0.876 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 76.3 | 13.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 56 | S | 31.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | -141.5 | 43.8 | 170.6 | 62.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 57 | A | 28.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | -127.2 | 15.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | T59 | A57-T59 VanDerWaalsContact C-N 3.32Š|
| 58 | S | 28.9 | Very low | 33.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.5 | 8.8 | 172.9 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 59 | T | 29 | Very low | 32.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -129.8 | 51.3 | 173.1 | -35.3 | 0 | 0 | 0 | 0 | 111.9 | A57 | A57-T59 VanDerWaalsContact C-N 3.32Š|
| 60 | F | 26.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -129.3 | 92.3 | 150.9 | -97.1 | -87.7 | 0 | 0 | 0 | 107.7 | P62 | F60-P62 WeakPolarHBondContact O-CD 3.44Š|
| 61 | K | 27.8 | Very low | 30.5 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -60.6 | 121.2 | 159 | -83.7 | 177.1 | 176.3 | 172.9 | 0 | 106.2 | M63 | K61-M63 PolarHBondContact O-N 2.94Š|
| 62 | P | 27.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -59.5 | 111.4 | 166.9 | 23.8 | -30.5 | 0 | 0 | 0 | 107.4 | F60 A64 | F60-P62 WeakPolarHBondContact O-CD 3.44Å; P62-A64 PolarHBondContact O-N 2.97Å |
| 63 | M | 24.7 | Very low | 28.6 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -59.8 | 122.8 | 163.6 | -99.1 | -170 | -171.1 | 0 | 0 | 106.9 | K61 A65 | K61-M63 PolarHBondContact O-N 2.94Å; M63-A65 PolarHBondContact O-N 3.43Å |
| 64 | A | 26.8 | Very low | 28.4 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | -51.8 | 135.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P62 N66 | P62-A64 PolarHBondContact O-N 2.97Å; A64-N66 PolarHBondContact O-N 3.21Å |
| 65 | A | 30 | Very low | 27.6 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 83.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | M63 T67 | M63-A65 PolarHBondContact O-N 3.43Å; A65-T67 PolarHBondContact O-N 2.99Å |
| 66 | N | 25.6 | Very low | 26.9 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -80.4 | 111.9 | 165.2 | -115.3 | -50.9 | 0 | 0 | 0 | 108.9 | A64 | A64-N66 PolarHBondContact O-N 3.21Š|
| 67 | T | 28.6 | Very low | 26.5 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | 41.2 | 111 | 135.2 | 46.9 | 0 | 0 | 0 | 0 | 119.3 | A65 | A65-T67 PolarHBondContact O-N 2.99Š|
| 68 | K | 26.7 | Very low | 26.4 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | 36.7 | 120.4 | 137.8 | -78 | -177.2 | 175.9 | 173.7 | 0 | 119.6 | | |
| 69 | K | 26.1 | Very low | 26.2 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | 103.8 | 118.6 | 145.5 | -66.1 | 172.5 | 176.9 | 177.9 | 0 | 118.8 | | |
| 70 | K | 25.1 | Very low | 26.1 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | 46.9 | 150.1 | 143 | -72.9 | -169 | 177.2 | -173.7 | 0 | 121.4 | | |
| 71 | Y | 26.6 | Very low | 26 | Very low | 215 Ų | 215 | 142.4 Ų | 142.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | 95.9 | 111.4 | 172 | -69.3 | -88.5 | 0 | 0 | 0 | 114.1 | | |
| 72 | R | 22.9 | Very low | 26.2 | Very low | 246 Ų | 246 | 140.7 Ų | 140.7 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | | | | 81 | 108.6 | 52.4 | -159.1 | -170.5 | -160.4 | -161.9 | 6.5 | 113.7 | | |
| 73 | G | 24.5 | Very low | 26.2 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 90.8 | 149.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 74 | S | 24 | Very low | 26.3 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | cis | 174.2 | 132.1 | -1.7 | -102.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 75 | V | 26.2 | Very low | 26.5 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 50.5 | 147.8 | 143.7 | -67.5 | 0 | 0 | 0 | 0 | 126.3 | | |
| 76 | S | 26.6 | Very low | 26.3 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | 93 | 111 | 142.7 | -80.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 77 | E | 23.7 | Very low | 26.4 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | | | | 88.8 | 144.5 | 98.7 | -78.6 | 174.8 | 125.6 | 0 | 0 | 111.5 | | |
| 78 | L | 26.1 | Very low | 26.3 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | cis | -176.3 | 151.7 | 32.5 | -151.8 | 75.8 | 0 | 0 | 0 | 110.5 | | |
| 79 | A | 25.8 | Very low | 26.7 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | | | trans | 58 | 152.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 80 | T | 26.4 | Very low | 26.5 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | cis | -178.7 | 151.7 | -2.4 | 30 | 0 | 0 | 0 | 0 | 109.9 | | |
| 81 | S | 25.1 | Very low | 26.9 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | 59 | 130.5 | 137.6 | 69.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 82 | N | 30.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | | 176 | 151.8 | 104.6 | -90.8 | -19.9 | 0 | 0 | 0 | 116.5 | | |
| 83 | V | 28.2 | Very low | 26.7 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -117.1 | 158.5 | -179.9 | 167.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 84 | A | 26.5 | Very low | 26.7 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | trans | 98.3 | 125.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 85 | D | 30.2 | Very low | 26.8 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | | 166.6 | 160 | 101.1 | -97.5 | -30.5 | 0 | 0 | 0 | 115.5 | | |
| 86 | S | 26.8 | Very low | 26.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -103.6 | 152.6 | -171.9 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 87 | S | 28.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | 156.5 | 146.2 | 151.6 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 88 | G | 26 | Very low | 26.6 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | cis | 173.8 | 146.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 89 | Q | 34.4 | Very low | 26.6 | Very low | 210 Ų | 210 | 126.2 Ų | 126.2 | 98% | 0.981 | 80% | 0.799 | S | S | * | * | | | trans | 168.5 | 121.1 | 143.8 | -94.5 | -179.4 | 24.8 | 0 | 0 | 111.6 | | |
| 90 | S | 21.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -104.1 | 140.8 | 172 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 91 | S | 33.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -167.5 | 127.3 | 147.8 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 92 | E | 21.9 | Very low | 26.2 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -92.8 | 151 | -179.2 | -94.7 | -177.3 | 131.6 | 0 | 0 | 112.5 | | |
| 93 | V | 24.9 | Very low | 25.9 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | | | trans | 84.2 | 110.7 | 131.3 | 169.7 | 0 | 0 | 0 | 0 | 122 | | |
| 94 | V | 24.2 | Very low | 25.9 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | | 81.9 | 111.4 | 128.1 | 172.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 95 | S | 25.1 | Very low | 25.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | | | | 167 | 139.8 | 108.9 | -72.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 96 | H | 21.9 | Very low | 25.5 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | | | trans | -66.5 | 150.5 | 173.1 | -82.3 | -93.9 | 0 | 0 | 0 | 114.2 | | |
| 97 | A | 28.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -137.1 | 127.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 98 | V | 23 | Very low | 25.5 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -127 | 123.8 | 172.2 | -82.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 99 | A | 26.2 | Very low | 25.3 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 176.2 | 116 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 100 | S | 20.7 | Very low | 25 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | | 79.3 | 109.6 | 71.1 | -77.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 101 | V | 22.2 | Very low | 25.1 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | 49 | 134.6 | 144.9 | -72.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 102 | S | 25.9 | Very low | 25.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | | 166.2 | 115.8 | 128.9 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 103 | D | 23 | Very low | 25.8 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | | 74.1 | 122.3 | 83.2 | -129.5 | -20.1 | 0 | 0 | 0 | 115.2 | | |
| 104 | G | 29.7 | Very low | 26 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -158.5 | 113.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 105 | S | 25.4 | Very low | 26 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -91 | 158.6 | -160.4 | -44.2 | 0 | 0 | 0 | 0 | 116 | | |
| 106 | V | 23.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -65.6 | 164.1 | 169.5 | -150.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 107 | P | 28.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | -157.9 | 170.7 | 98.4 | 43.2 | -24 | 0 | 0 | 0 | 118.6 | | |
| 108 | V | 25.9 | Very low | 25.8 | Very low | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 87.9 | 120.6 | 150.3 | -167.1 | 0 | 0 | 0 | 0 | 121 | | |
| 109 | M | 21.3 | Very low | 25.8 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -76.9 | 148.5 | 171.1 | -59.3 | -153.5 | -64.9 | 0 | 0 | 114 | | |
| 110 | A | 28.8 | Very low | 25.8 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -154.5 | 131.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 111 | D | 24.6 | Very low | 25.8 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -107 | -175.1 | -177 | -153.9 | 15.9 | 0 | 0 | 0 | 108.6 | | |
| 112 | P | 45.6 | Very low | 25.9 | Very low | 95 Ų | 95 | 127 Ų | 127 | 62% | 0.617 | 80% | 0.798 | S | S | * | * | | | | -115.8 | -174.8 | -99.6 | 36.2 | -19.4 | 0 | 0 | 0 | 112.9 | | |
| 113 | S | 23.5 | Very low | 26 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 114.4 | 141 | 148 | -46.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 114 | A | 27.8 | Very low | 26.1 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | 99.1 | 92.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 115 | L | 25.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | | 53.5 | 115.5 | 116.5 | -70.4 | 159.4 | 0 | 0 | 0 | 120.7 | | |
| 116 | A | 23.9 | Very low | 26.1 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | | | trans | 55.4 | 118.6 | 130.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 117 | S | 25.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | | 174.9 | 152 | 102.9 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 118 | E | 22.7 | Very low | 25.9 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | -52.6 | 152.3 | -179.2 | -61.4 | 167.3 | 111.2 | 0 | 0 | 115.4 | | |
| 119 | G | 23.2 | Very low | 25.7 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | 155.4 | 85.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 120 | V | 24.6 | Very low | 26 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | 71.8 | 98.3 | 134 | -173.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 121 | V | 20.9 | Very low | 25.8 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | | 59.3 | 123.2 | 120.1 | -173.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 122 | K | 25.3 | Very low | 26 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | 75.9 | 103.9 | 153 | -79.2 | 167.9 | -173.9 | -177.6 | 0 | 118.6 | | |
| 123 | N | 27.6 | Very low | 25.1 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -153.8 | 121.3 | 145.1 | -91.8 | -13.4 | 0 | 0 | 0 | 106.2 | | |
| 124 | E | 26.1 | Very low | 25.2 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | 67.6 | 113.1 | 91.4 | -70.4 | -171.9 | 143.1 | 0 | 0 | 113 | | |
| 125 | E | 25.6 | Very low | 25.2 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | 60.5 | 145.8 | 130.3 | -143.2 | 170.6 | 132.1 | 0 | 0 | 121 | | |
| 126 | H | 29 | Very low | 25.2 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 63% | 0.634 | 79% | 0.789 | S | S | * | * | | | trans | 86.4 | 99.9 | 171.3 | -54.2 | -62.8 | 0 | 0 | 0 | 115.7 | | |
| 127 | Q | 23 | Very low | 25.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | | 46.5 | 90.8 | 88 | -72.4 | -169.8 | 41.5 | 0 | 0 | 111.7 | | |
| 128 | Q | 23.7 | Very low | 25.5 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | | 176.5 | 117.6 | 117.9 | -93 | 161.3 | 52.4 | 0 | 0 | 108.9 | S130 | Q128-S130 PolarHBondContact O-N 3.42Š|
| 129 | L | 23 | Very low | 25.6 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | | 30.9 | 93.2 | 129.9 | -62.3 | 165.1 | 0 | 0 | 0 | 115.6 | | |
| 130 | S | 26 | Very low | 25.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | 169.6 | 138.9 | 114.8 | 47.1 | 0 | 0 | 0 | 0 | 111 | Q128 | Q128-S130 PolarHBondContact O-N 3.42Š|
| 131 | S | 25.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 64.1 | 83.3 | 153.1 | -179.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 132 | V | 27.8 | Very low | 25.9 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -132.4 | 103.4 | 131.3 | -168.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 133 | K | 27.7 | Very low | 26.1 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | 34.5 | 113.5 | 141.5 | -101.1 | 164.9 | 169.6 | 172.3 | 0 | 117.3 | E135 | K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 PolarHBondContact O-N 3.35Å |
| 134 | S | 25.8 | Very low | 26.1 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -45.6 | 90 | 141.2 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 135 | E | 27.9 | Very low | 26.3 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -91.4 | 125.5 | 142.9 | -71.6 | -177 | 131.1 | 0 | 0 | 104.6 | K133 | K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 PolarHBondContact O-N 3.35Å |
| 136 | G | 25.3 | Very low | 26.4 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | cis | 147.3 | 67.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 103.7 | | |
| 137 | D | 25.4 | Very low | 26.5 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -124.3 | 115.7 | 170.3 | -114.8 | -40.4 | 0 | 0 | 0 | 109.5 | | |
| 138 | V | 29.4 | Very low | 26.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 63.1 | 65.6 | 160.7 | -156.1 | 0 | 0 | 0 | 0 | 115.7 | I140 | V138-I140 HydrophobicContact CG1-CG1 4.14Å; V138-I140 PolarHBondContact O-N 2.96Å |
| 139 | S | 25.3 | Very low | 27.1 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -80.1 | 112.1 | 142 | -78.7 | 0 | 0 | 0 | 0 | 108.6 | S141 | S139-S141 PolarHBondContact O-N 3.04Š|
| 140 | I | 27.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -61.4 | 84.3 | 173.4 | -43.9 | 164.1 | 0 | 0 | 0 | 107 | V138 S142 | V138-I140 HydrophobicContact CG1-CG1 4.14Å; V138-I140 PolarHBondContact O-N 2.96Å; I140-S142 PolarHBondContact O-N 3.28Å |
| 141 | S | 24.6 | Very low | 28 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -68.6 | 102.7 | 167.9 | -77.1 | 0 | 0 | 0 | 0 | 108.1 | S139 M143 | S139-S141 PolarHBondContact O-N 3.04Å; S141-M143 PolarHBondContact O-N 3.39Å |
| 142 | S | 23.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -44.8 | 98.9 | 157.1 | 164.6 | 0 | 0 | 0 | 0 | 110.3 | I140 | I140-S142 PolarHBondContact O-N 3.28Š|
| 143 | M | 29 | Very low | 27.7 | Very low | 177 Ų | 177 | 138 Ų | 138 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | -107.1 | 110.2 | 159.7 | -69.6 | -137.8 | -62.8 | 0 | 0 | 108.5 | S141 | S141-M143 PolarHBondContact O-N 3.39Š|
| 144 | R | 26.8 | Very low | 27.6 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 153.2 | 169.7 | -103.5 | 174.5 | 176.1 | 173.6 | 0.4 | 110.6 | T623 | R144-T623 HydrophobicContact CG-CG2 3.77Š|
| 145 | P | 31.4 | Very low | 27.6 | Very low | 65 Ų | 65 | 133 Ų | 133 | 42% | 0.422 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 129.8 | -167.3 | -10.2 | 26.1 | 0 | 0 | 0 | 111.4 | Q622 | P145-Q622 HydrophobicContact CG-CB 4.16Š|
| 146 | N | 28 | Very low | 27.5 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 122.8 | 164.6 | -143.9 | -21.8 | 0 | 0 | 0 | 108 | | |
| 147 | A | 30.3 | Very low | 27.7 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | trans | -95.6 | 95.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 148 | D | 31.4 | Very low | 27.7 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -138.6 | 102.8 | 153 | -88.3 | -55.4 | 0 | 0 | 0 | 106.7 | | |
| 149 | E | 27.3 | Very low | 27.7 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | -76.9 | 179.9 | 175.1 | -128.2 | -148.5 | 150.9 | 0 | 0 | 110.8 | | |
| 150 | P | 40.7 | Very low | 27.7 | Very low | 96 Ų | 96 | 132 Ų | 132 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | | | cis | -129.3 | 161.5 | -27.2 | 14.1 | 8.9 | 0 | 0 | 0 | 113.2 | | |
| 151 | S | 26.7 | Very low | 27.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | | 174.2 | 117.1 | 109.8 | -162.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 152 | Y | 23.8 | Very low | 27.8 | Very low | 216 Ų | 216 | 130.1 Ų | 130.1 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -20.7 | 139.5 | 135.9 | -101.6 | -107.1 | 0 | 0 | 0 | 111.8 | | |
| 153 | V | 24.9 | Very low | 28 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | | -170.2 | 146.7 | 55 | -175.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 154 | G | 23.7 | Very low | 28.1 | Very low | 57 Ų | 57 | 129.7 Ų | 129.7 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | trans | 137.4 | 87.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 155 | T | 26 | Very low | 28 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | 61.1 | 101.2 | 135.7 | 55.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 156 | S | 26.4 | Very low | 27.8 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -144.3 | 150.8 | 139.2 | -88.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 157 | P | 30.5 | Very low | 28 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | | -99.7 | 160.1 | -116.7 | 34.1 | -35.8 | 0 | 0 | 0 | 114.4 | V159 | P157-V159 PolarHBondContact O-N 2.96Š|
| 158 | L | 25.6 | Very low | 28 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -45.5 | 95 | 162.3 | -73 | 154.6 | 0 | 0 | 0 | 111.2 | S160 | L158-S160 PolarHBondContact O-N 3.44Š|
| 159 | V | 28.3 | Very low | 28 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -77.1 | 100.2 | 156.8 | -175 | 0 | 0 | 0 | 0 | 106.2 | P157 C161 | P157-V159 PolarHBondContact O-N 2.96Å; V159-C161 VanDerWaalsContact C-N 3.28Å; V159-C161 PolarHBondContact O-N 2.87Å |
| 160 | S | 25 | Very low | 28.3 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -65.5 | 88.2 | 168.9 | -155.2 | 0 | 0 | 0 | 0 | 108.3 | L158 S162 | L158-S160 PolarHBondContact O-N 3.44Å; S160-S162 PolarHBondContact O-N 3.49Å |
| 161 | C | 27.9 | Very low | 27.8 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | | | trans | -76 | 68.3 | 170.1 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | V159 | V159-C161 VanDerWaalsContact C-N 3.28Å; V159-C161 PolarHBondContact O-N 2.87Å |
| 162 | S | 26.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -104.1 | 63.7 | 155.8 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | S160 | S160-S162 PolarHBondContact O-N 3.49Š|
| 163 | T | 27.9 | Very low | 28.2 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | -124.4 | 109.3 | 161.9 | -41 | 0 | 0 | 0 | 0 | 105.9 | L165 | T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.35Å |
| 164 | I | 30.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -61.4 | 100.9 | 171 | -63.4 | 165.6 | 0 | 0 | 0 | 105.3 | D166 | I164-D166 PolarHBondContact O-N 2.84Š|
| 165 | L | 25.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -73.1 | 109.6 | 169.5 | -82 | 151.6 | 0 | 0 | 0 | 106.8 | T163 A167 | T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.35Å; L165-A167 PolarHBondContact O-N 3.49Å |
| 166 | D | 26.6 | Very low | 28.8 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 109.4 | 171.6 | -156 | -9.4 | 0 | 0 | 0 | 107.9 | I164 A168 | I164-D166 PolarHBondContact O-N 2.84Å; D166-A168 PolarHBondContact O-N 3.5Å |
| 167 | A | 32.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 22.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L165 | L165-A167 PolarHBondContact O-N 3.49Š|
| 168 | A | 30.8 | Very low | 28.8 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 9.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D166 | D166-A168 PolarHBondContact O-N 3.5Š|
| 169 | S | 31 | Very low | 29.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -138.5 | 27.9 | -173.6 | -71.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 170 | I | 32.4 | Very low | 29.6 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -132.9 | 104.2 | 163.2 | -54.8 | 176.8 | 0 | 0 | 0 | 108.8 | L172 | I170-L172 PolarHBondContact O-N 3.26Å; I170-L172 VanDerWaalsContact O-N 3.14Å |
| 171 | E | 30 | Very low | 30.1 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | trans | -58.3 | 109.9 | 162.3 | -79 | 178.5 | 149.6 | 0 | 0 | 108.2 | | |
| 172 | L | 29.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | -76.4 | 125.6 | 173.8 | -84.5 | 145.4 | 0 | 0 | 0 | 108.9 | I170 E174 | I170-L172 PolarHBondContact O-N 3.26Å; I170-L172 VanDerWaalsContact O-N 3.14Å; L172-E174 PolarHBondContact O-N 2.93Å |
| 173 | P | 29.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | trans | -65.5 | 130.4 | 166.3 | 26.4 | -29.3 | 0 | 0 | 0 | 109.1 | V175 | P173-V175 PolarHBondContact O-N 3.25Å; P173-V175 VanDerWaalsContact O-N 3.09Å |
| 174 | E | 28.7 | Very low | 32.3 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | -56.7 | 100 | -174 | -161.8 | 175.7 | -163.1 | 0 | 0 | 112.2 | L172 I176 | L172-E174 PolarHBondContact O-N 2.93Å; E174-I176 HydrophobicContact CG-CD1 4.16Å; E174-I176 HydrophobicContact CG-CG1 4.3Å |
| 175 | V | 28 | Very low | 32.9 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -123 | 87.5 | 158.8 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | P173 P177 | P173-V175 PolarHBondContact O-N 3.25Å; P173-V175 VanDerWaalsContact O-N 3.09Å; V175-P177 WeakPolarHBondContact O-CD 3.48Å |
| 176 | I | 32 | Very low | 33.4 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | | | trans | -76.4 | 119.7 | 165.8 | -62.9 | 167.3 | 0 | 0 | 0 | 107.3 | E174 K178 | E174-I176 HydrophobicContact CG-CD1 4.16Å; E174-I176 HydrophobicContact CG-CG1 4.3Å; I176-K178 HydrophobicContact CG2-CG 4.28Å |
| 177 | P | 27.4 | Very low | 34 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | | -124.6 | 112.8 | 128.9 | 28.9 | -16.4 | 0 | 0 | 0 | 109.6 | V175 I179 | V175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-I179 PolarHBondContact O-N 3.47Å; P177-I179 VanDerWaalsContact O-N 3.12Å |
| 178 | K | 28.8 | Very low | 34.5 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | | | trans | -18.2 | 106.4 | 151.4 | -59.6 | 168.4 | 179.8 | 177.5 | 0 | 112.3 | I176 | I176-K178 HydrophobicContact CG2-CG 4.28Š|
| 179 | I | 37.1 | Very low | 35 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | | -164.1 | 75.1 | 123 | -62.9 | 116 | 0 | 0 | 0 | 105.7 | P177 | P177-I179 PolarHBondContact O-N 3.47Å; P177-I179 VanDerWaalsContact O-N 3.12Å |
| 180 | C | 34.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 91% | 0.912 | 69% | 0.69 | S | S | * | * | | | trans | -102.1 | 69.5 | 151.9 | -72.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 181 | E | 35.5 | Very low | 36 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 53% | 0.533 | 69% | 0.688 | S | S | . | * | | | trans | -101.1 | 100.2 | 158 | -77.3 | -169.2 | 157.4 | 0 | 0 | 106.2 | P183 K186 | E181-P183 WeakPolarHBondContact O-CD 3.47Å; E181-P183 VanDerWaalsContact O-N 3.17Å; E181-K186 WeakPolarHBondContact OE2-CE 3.34Å; E181-K186 IonicContact OE2-NZ 2.63Å; E181-K186 PolarHBondContact OE2-NZ 3.27Å |
| 182 | N | 37.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | | | trans | -54.4 | 119.2 | 171 | -169.6 | -16.4 | 0 | 0 | 0 | 107.6 | L184 E185 | N182-L184 PolarHBondContact O-N 2.9Å; N182-L184 PolarHBondContact OD1-N 3.39Å; N182-E185 WeakPolarHBondContact O-CB 3.35Å; N182-E185 PolarHBondContact O-N 2.86Å |
| 183 | P | 42.6 | Very low | 36.8 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -60.3 | -17 | -177.1 | 22.3 | -32.7 | 0 | 0 | 0 | 112.8 | E181 E185 M187 | E181-P183 WeakPolarHBondContact O-CD 3.47Å; E181-P183 VanDerWaalsContact O-N 3.17Å; P183-E185 VanDerWaalsContact C-N 3.34Å; P183-M187 WeakPolarHBondContact O-CG 3.47Å; P183-M187 PolarHBondContact O-N 3.34Å |
| 184 | L | 48.2 | Very low | 36.9 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.7 | -33.1 | 170.3 | -112.6 | 76.8 | 0 | 0 | 0 | 113.2 | N182 M187 A188 | N182-L184 PolarHBondContact O-N 2.9Å; N182-L184 PolarHBondContact OD1-N 3.39Å; L184-M187 HydrophobicContact CD1-CE 4.33Å; L184-M187 PolarHBondContact O-N 2.92Å; L184-A188 PolarHBondContact O-N 3.39Å |
| 185 | E | 42.3 | Very low | 37 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 59% | 0.589 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.2 | -31.2 | -173.8 | -149.3 | 166.2 | -166.7 | 0 | 0 | 111.8 | N182 P183 A188 K189 | N182-E185 WeakPolarHBondContact O-CB 3.35Å; N182-E185 PolarHBondContact O-N 2.86Å; P183-E185 VanDerWaalsContact C-N 3.34Å; E185-A188 PolarHBondContact O-N 3.23Å; E185-K189 PolarHBondContact O-N 3.3Å |
| 186 | K | 36.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 52% | 0.522 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68 | -35.5 | 168.2 | -104.9 | 175.3 | 171.7 | 165 | 0 | 112.6 | E181 A188 L190 | E181-K186 WeakPolarHBondContact OE2-CE 3.34Å; E181-K186 IonicContact OE2-NZ 2.63Å; E181-K186 PolarHBondContact OE2-NZ 3.27Å; K186-A188 VanDerWaalsContact C-N 3.35Å; K186-L190 WeakPolarHBondContact O-CB 3.44Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.5Å; K186-L190 VanDerWaalsContact O-N 3.13Å |
| 187 | M | 38.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.3 | -30.8 | 173 | -70.4 | -165.9 | -65.6 | 0 | 0 | 112.3 | P183 L184 T191 | P183-M187 WeakPolarHBondContact O-CG 3.47Å; P183-M187 PolarHBondContact O-N 3.34Å; L184-M187 HydrophobicContact CD1-CE 4.33Å; L184-M187 PolarHBondContact O-N 2.92Å; M187-T191 PolarHBondContact O-OG1 3.2Å |
| 188 | A | 44.5 | Very low | 37.6 | Very low | 57 Ų | 57 | 135 Ų | 135 | 47% | 0.471 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -73.1 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L184 E185 K186 T191 | L184-A188 PolarHBondContact O-N 3.39Å; E185-A188 PolarHBondContact O-N 3.23Å; K186-A188 VanDerWaalsContact C-N 3.35Å; A188-T191 PolarHBondContact O-N 3.21Å; A188-T191 PolarHBondContact O-OG1 3.5Å |
| 189 | K | 41.1 | Very low | 37.8 | Very low | 158 Ų | 158 | 131 Ų | 131 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.7 | -29 | 179.1 | -89.9 | -176.2 | 173.7 | -178.7 | 0 | 114.7 | E185 T191 E192 | E185-K189 PolarHBondContact O-N 3.3Å; K189-T191 PolarHBondContact O-N 3.01Å; K189-E192 PolarHBondContact O-N 3.5Å |
| 190 | L | 35.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -8 | 174 | -76.6 | 168.9 | 0 | 0 | 0 | 113.6 | K186 | K186-L190 WeakPolarHBondContact O-CB 3.44Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.5Å; K186-L190 VanDerWaalsContact O-N 3.13Å |
| 191 | T | 47.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -10.3 | 174.3 | 13.4 | 0 | 0 | 0 | 0 | 114.8 | M187 A188 K189 | M187-T191 PolarHBondContact O-OG1 3.2Å; A188-T191 PolarHBondContact O-N 3.21Å; A188-T191 PolarHBondContact O-OG1 3.5Å; K189-T191 PolarHBondContact O-N 3.01Å |
| 192 | E | 43.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -24 | -171.6 | -150.3 | 172.2 | -169.3 | 0 | 0 | 114.8 | K189 | K189-E192 PolarHBondContact O-N 3.5Š|
| 193 | E | 33.6 | Very low | 37.2 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.2 | 9.5 | -170.2 | -86 | -86.5 | 142.4 | 0 | 0 | 115.9 | | |
| 194 | A | 32.4 | Very low | 36.8 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -134.8 | 36.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 195 | L | 30.9 | Very low | 36.4 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -119.9 | 119.1 | 160.1 | -71.1 | 173.8 | 0 | 0 | 0 | 109 | F197 | L195-F197 PolarHBondContact O-N 3.41Š|
| 196 | P | 36 | Very low | 36.4 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | trans | -60.8 | 126.9 | 170.8 | 24.7 | -30.5 | 0 | 0 | 0 | 108.8 | E198 | P196-E198 PolarHBondContact O-N 3.25Å; P196-E198 VanDerWaalsContact O-N 3.09Å |
| 197 | F | 32 | Very low | 36.2 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | | | trans | -50.9 | 110.6 | 172.4 | -95.5 | -102.4 | 0 | 0 | 0 | 110.6 | L195 | L195-F197 PolarHBondContact O-N 3.41Š|
| 198 | E | 30.3 | Very low | 36.2 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -120.7 | 134 | 155 | -122.3 | -141.2 | 134.4 | 0 | 0 | 109.3 | P196 | P196-E198 PolarHBondContact O-N 3.25Å; P196-E198 VanDerWaalsContact O-N 3.09Å |
| 199 | P | 32.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 161.1 | -162.7 | 30.6 | -33.6 | 0 | 0 | 0 | 113.6 | M201 | P199-M201 PolarHBondContact O-N 3.34Š|
| 200 | P | 31.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 107.4 | -164.7 | 25.7 | -34.3 | 0 | 0 | 0 | 112.6 | K202 | P200-K202 PolarHBondContact O-N 3.36Š|
| 201 | M | 31.9 | Very low | 37 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -63.9 | 119.8 | 165.6 | -84.7 | -177.5 | 48.6 | 0 | 0 | 109.9 | P199 Q203 | P199-M201 PolarHBondContact O-N 3.34Å; M201-Q203 PolarHBondContact O-N 2.97Å |
| 202 | K | 35.3 | Very low | 36.7 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -43.3 | 125.9 | 177.8 | -63.8 | 176 | 179.5 | 178.1 | 0 | 111.2 | P200 T204 | P200-K202 PolarHBondContact O-N 3.36Å; K202-T204 VanDerWaalsContact C-N 3.35Å; K202-T204 PolarHBondContact O-N 3.1Å; K202-T204 PolarHBondContact O-OG1 3.43Å |
| 203 | Q | 33.8 | Very low | 36.9 | Very low | 201 Ų | 201 | 147 Ų | 147 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | trans | -49 | 95.5 | 171.8 | -65.8 | -179.3 | 14.8 | 0 | 0 | 110.2 | M201 K205 | M201-Q203 PolarHBondContact O-N 2.97Å; Q203-K205 PolarHBondContact O-N 3.2Å |
| 204 | T | 34.5 | Very low | 37.4 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -85.9 | 104.2 | 171.7 | -42.6 | 0 | 0 | 0 | 0 | 104.9 | K202 L206 | K202-T204 VanDerWaalsContact C-N 3.35Å; K202-T204 PolarHBondContact O-N 3.1Å; K202-T204 PolarHBondContact O-OG1 3.43Å; T204-L206 PolarHBondContact O-N 3.24Å |
| 205 | K | 39.5 | Very low | 38.1 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -26.9 | 103.6 | 178.4 | -72.6 | 172.6 | 177 | 177.9 | 0 | 111.1 | Q203 G207 | Q203-K205 PolarHBondContact O-N 3.2Å; K205-G207 PolarHBondContact O-N 3.4Å |
| 206 | L | 41.6 | Very low | 39.3 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 93% | 0.927 | 74% | 0.74 | S | S | * | * | | | trans | -57.5 | 109.4 | 171.4 | -72.1 | 165.2 | 0 | 0 | 0 | 107.1 | T204 | T204-L206 PolarHBondContact O-N 3.24Š|
| 207 | G | 33.6 | Very low | 40.2 | Very low | 55 Ų | 55 | 140 Ų | 140 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | | | trans | -55.6 | 146.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K205 | K205-G207 PolarHBondContact O-N 3.4Š|
| 208 | S | 38.1 | Very low | 41.5 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | | | trans | -49.7 | 156.6 | -177.2 | -75 | 0 | 0 | 0 | 0 | 113.1 | R210 D211 | S208-R210 PolarHBondContact O-N 3.48Å; S208-D211 PolarHBondContact O-N 3.39Å |
| 209 | P | 49.7 | Very low | 43.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -51.9 | -10.2 | -176.1 | -28.6 | 35 | 0 | 0 | 0 | 117 | D211 | P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 3.07Å |
| 210 | R | 48.4 | Very low | 45.2 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -66.4 | -21.8 | 177.7 | -134 | 172.8 | -174.4 | 154.1 | -1.6 | 113.8 | S208 | S208-R210 PolarHBondContact O-N 3.48Š|
| 211 | D | 39.7 | Very low | 47.5 | Very low | 94 Ų | 94 | 128 Ų | 128 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -88.9 | -10.2 | -177.8 | -71.7 | -41.1 | 0 | 0 | 0 | 114.7 | S208 P209 S213 K214 | S208-D211 PolarHBondContact O-N 3.39Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 3.07Å; D211-S213 VanDerWaalsContact C-N 3.25Å; D211-S213 PolarHBondContact O-N 3.49Å; D211-K214 VanDerWaalsContact OD1-CE 3.31Å; D211-K214 WeakPolarHBondContact OD1-CE 3.31Å |
| 212 | R | 42.2 | Very low | 49.6 | Very low | 211 Ų | 211 | 124.9 Ų | 124.9 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -70.4 | -17.5 | 176.8 | -83.4 | -177.2 | 163.9 | -179.4 | -4.3 | 114.4 | K214 | R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.02Å |
| 213 | S | 46.9 | Very low | 51.5 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -84.2 | 1.1 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 114.3 | D211 | D211-S213 VanDerWaalsContact C-N 3.25Å; D211-S213 PolarHBondContact O-N 3.49Å |
| 214 | K | 43.9 | Very low | 53.6 | Low | 146 Ų | 146 | 114.5 Ų | 114.5 | 64% | 0.635 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -108.2 | 5.9 | -174.7 | -46 | 179.7 | -163.9 | -77.4 | 0 | 114.2 | D211 R212 T216 | D211-K214 VanDerWaalsContact OD1-CE 3.31Å; D211-K214 WeakPolarHBondContact OD1-CE 3.31Å; R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.02Å; K214-T216 VanDerWaalsContact C-N 3.33Å; K214-T216 PolarHBondContact O-N 3.09Å |
| 215 | F | 47.2 | Very low | 55.6 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 40% | 0.399 | 60% | 0.595 | S | S | . | * | | | trans | -68.4 | 98.4 | 169.4 | -67.5 | -71.6 | 0 | 0 | 0 | 108 | Q219 L220 R228 | F215-Q219 HydrophobicContact CD1-CB 3.58Å; F215-Q219 HydrophobicContact CD1-CG 4.27Å; F215-Q219 HydrophobicContact CE1-CB 4.3Å; F215-Q219 VanDerWaalsContact CE1-OE1 3.26Å; F215-Q219 HydrophobicContact CG-CB 4.49Å; F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CB-CG 4.41Å; F215-R228 PolarHBondContact O-NH1 3.03Å |
| 216 | T | 56.8 | Low | 57.6 | Low | 86 Ų | 86 | 109.7 Ų | 109.7 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | | | trans | -51.1 | 144.8 | 155.4 | 32.3 | 0 | 0 | 0 | 0 | 108.1 | K214 D218 Q219 | K214-T216 VanDerWaalsContact C-N 3.33Å; K214-T216 PolarHBondContact O-N 3.09Å; T216-D218 PolarHBondContact O-N 3.47Å; T216-Q219 PolarHBondContact O-N 3.43Å |
| 217 | D | 54.5 | Low | 59.5 | Low | 64 Ų | 64 | 107.6 Ų | 107.6 | 34% | 0.342 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -52.7 | -20.2 | -172.8 | -88.8 | -58 | 0 | 0 | 0 | 114.1 | Q219 L220 R225 R228 | D217-Q219 VanDerWaalsContact C-N 3.34Å; D217-Q219 PolarHBondContact O-N 3.31Å; D217-L220 PolarHBondContact O-N 3.31Å; D217-R225 PolarHBondContact O-NE 3.18Å; D217-R225 PolarHBondContact O-NH2 3.5Å; D217-R228 IonicContact OD1-NH1 3.57Å; D217-R228 IonicContact OD2-NH1 3.9Å |
| 218 | D | 59.8 | Low | 62 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 73% | 0.733 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -65.2 | -27.4 | 177.2 | -58.6 | -52.1 | 0 | 0 | 0 | 114.9 | T216 | T216-D218 PolarHBondContact O-N 3.47Š|
| 219 | Q | 66 | Low | 63.9 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -90.1 | -8 | 179.4 | -70.6 | -167.8 | 49.9 | 0 | 0 | 113.6 | F215 T216 D217 | F215-Q219 HydrophobicContact CD1-CB 3.58Å; F215-Q219 HydrophobicContact CD1-CG 4.27Å; F215-Q219 HydrophobicContact CE1-CB 4.3Å; F215-Q219 VanDerWaalsContact CE1-OE1 3.26Å; F215-Q219 HydrophobicContact CG-CB 4.49Å; T216-Q219 PolarHBondContact O-N 3.43Å; D217-Q219 VanDerWaalsContact C-N 3.34Å; D217-Q219 PolarHBondContact O-N 3.31Å |
| 220 | L | 75 | Confident | 65.6 | Low | 29 Ų | 29 | 109.7 Ų | 109.7 | 15% | 0.152 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -85.5 | 136.1 | 178.2 | -65.8 | 170.5 | 0 | 0 | 0 | 109.6 | F215 D217 Q224 | F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CB-CG 4.41Å; D217-L220 PolarHBondContact O-N 3.31Å; L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD2-CB 4.02Å; L220-Q224 HydrophobicContact CG-CB 4.5Å |
| 221 | T | 79.3 | Confident | 67.1 | Low | 78 Ų | 78 | 103 Ų | 103 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | | | trans | -56.3 | 151.6 | 167.6 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | A223 Q224 R225 | T221-A223 PolarHBondContact O-N 3.43Å; T221-A223 VanDerWaalsContact O-N 3.08Å; T221-Q224 PolarHBondContact O-N 2.82Å; T221-Q224 PolarHBondContact OG1-OE1 3.07Å; T221-R225 PolarHBondContact O-N 3.02Å |
| 222 | P | 75.2 | Confident | 69.2 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 72% | 0.721 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.8 | -37.3 | 179 | -28.9 | 35.2 | 0 | 0 | 0 | 113.6 | R225 Q226 | P222-R225 PolarHBondContact O-N 3.45Å; P222-Q226 PolarHBondContact O-N 3.15Å |
| 223 | A | 75.5 | Confident | 71 | Confident | 69 Ų | 69 | 97.8 Ų | 97.8 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T221 R225 Q226 H227 | T221-A223 PolarHBondContact O-N 3.43Å; T221-A223 VanDerWaalsContact O-N 3.08Å; A223-R225 VanDerWaalsContact C-N 3.35Å; A223-Q226 PolarHBondContact O-N 3.25Å; A223-H227 PolarHBondContact O-N 3.11Å |
| 224 | Q | 77.8 | Confident | 72.3 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 175.5 | -82.1 | 175.6 | -29.5 | 0 | 0 | 112.1 | L220 T221 H227 R228 | L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD2-CB 4.02Å; L220-Q224 HydrophobicContact CG-CB 4.5Å; T221-Q224 PolarHBondContact O-N 2.82Å; T221-Q224 PolarHBondContact OG1-OE1 3.07Å; Q224-H227 PolarHBondContact O-N 3.28Å; Q224-R228 WeakPolarHBondContact O-CB 3.24Å; Q224-R228 PolarHBondContact O-N 3.37Å |
| 225 | R | 76.4 | Confident | 73.9 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.3 | -166.4 | -178.2 | -63.3 | 170.2 | 0.1 | 111.1 | D217 T221 P222 A223 R228 Q229 | D217-R225 PolarHBondContact O-NE 3.18Å; D217-R225 PolarHBondContact O-NH2 3.5Å; T221-R225 PolarHBondContact O-N 3.02Å; P222-R225 PolarHBondContact O-N 3.45Å; A223-R225 VanDerWaalsContact C-N 3.35Å; R225-R228 PolarHBondContact O-N 3.24Å; R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.25Å |
| 226 | Q | 82.8 | Confident | 75.2 | Confident | 135 Ų | 135 | 98.4 Ų | 98.4 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -48.4 | 175.3 | -174.3 | 179 | 1.7 | 0 | 0 | 112 | P222 A223 R228 Q229 E230 | P222-Q226 PolarHBondContact O-N 3.15Å; A223-Q226 PolarHBondContact O-N 3.25Å; Q226-R228 VanDerWaalsContact C-N 3.27Å; Q226-R228 PolarHBondContact O-N 3.14Å; Q226-Q229 PolarHBondContact O-N 2.97Å; Q226-E230 PolarHBondContact O-N 3.35Å |
| 227 | H | 81.6 | Confident | 75.8 | Confident | 133 Ų | 133 | 98.1 Ų | 98.1 | 62% | 0.616 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -36.6 | 177.8 | -176.5 | -80.1 | 0 | 0 | 0 | 112.1 | A223 Q224 A231 | A223-H227 PolarHBondContact O-N 3.11Å; Q224-H227 PolarHBondContact O-N 3.28Å; H227-A231 WeakPolarHBondContact O-CB 3.47Å; H227-A231 PolarHBondContact O-N 3.3Å |
| 228 | R | 84.4 | Confident | 76.6 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 38% | 0.377 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 175.3 | -175.3 | -177.3 | -176.9 | 174.5 | 4.6 | 112 | F215 D217 Q224 R225 Q226 A231 L232 | F215-R228 PolarHBondContact O-NH1 3.03Å; D217-R228 IonicContact OD1-NH1 3.57Å; D217-R228 IonicContact OD2-NH1 3.9Å; Q224-R228 WeakPolarHBondContact O-CB 3.24Å; Q224-R228 PolarHBondContact O-N 3.37Å; R225-R228 PolarHBondContact O-N 3.24Å; Q226-R228 VanDerWaalsContact C-N 3.27Å; Q226-R228 PolarHBondContact O-N 3.14Å; R228-A231 PolarHBondContact O-N 3.23Å; R228-L232 HydrophobicContact CG-CD1 4.25Å; R228-L232 WeakPolarHBondContact O-CG 3.42Å; R228-L232 PolarHBondContact O-N 3.46Å |
| 229 | Q | 79.3 | Confident | 77.1 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 177.2 | -75.9 | 177.1 | -3 | 0 | 0 | 111.6 | R225 Q226 L232 Q233 | R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.25Å; Q226-Q229 PolarHBondContact O-N 2.97Å; Q229-L232 PolarHBondContact O-N 3.39Å; Q229-Q233 PolarHBondContact O-N 3.38Å |
| 230 | E | 84.1 | Confident | 77 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.9 | -169.1 | -173 | 163.6 | 0 | 0 | 112.1 | Q226 L232 Q233 R234 | Q226-E230 PolarHBondContact O-N 3.35Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.81Å; E230-Q233 PolarHBondContact O-N 2.99Å; E230-R234 VanDerWaalsContact O-CG 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 2.88Å; E230-R234 IonicContact OE1-CZ 3.32Å; E230-R234 VanDerWaalsContact OE1-CZ 3.32Å; E230-R234 IonicContact OE1-NE 3.19Å; E230-R234 PolarHBondContact OE1-NE 2.98Å; E230-R234 IonicContact OE1-NH2 2.65Å; E230-R234 PolarHBondContact OE1-NH2 3.18Å |
| 231 | A | 81.6 | Confident | 75.7 | Confident | 38 Ų | 38 | 106.7 Ų | 106.7 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H227 R228 R234 I235 | H227-A231 WeakPolarHBondContact O-CB 3.47Å; H227-A231 PolarHBondContact O-N 3.3Å; R228-A231 PolarHBondContact O-N 3.23Å; A231-R234 PolarHBondContact O-N 3.48Å; A231-I235 WeakPolarHBondContact O-CD1 3.42Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 2.79Å |
| 232 | L | 83.2 | Confident | 74.7 | Confident | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 176 | -70.9 | 172.2 | 0 | 0 | 0 | 111.8 | R228 Q229 E230 I235 E236 | R228-L232 HydrophobicContact CG-CD1 4.25Å; R228-L232 WeakPolarHBondContact O-CG 3.42Å; R228-L232 PolarHBondContact O-N 3.46Å; Q229-L232 PolarHBondContact O-N 3.39Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.81Å; L232-I235 PolarHBondContact O-N 3.44Å; L232-E236 PolarHBondContact O-N 3.21Å |
| 233 | Q | 80 | Confident | 73 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 174.1 | -173.3 | 62.4 | 57.2 | 0 | 0 | 111.3 | Q229 E230 I235 E236 D237 | Q229-Q233 PolarHBondContact O-N 3.38Å; E230-Q233 PolarHBondContact O-N 2.99Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 PolarHBondContact O-N 3.44Å; Q233-E236 CarbonylContact O-C 3.46Å; Q233-E236 PolarHBondContact O-N 3.13Å; Q233-D237 PolarHBondContact NE2-OD1 2.96Å; Q233-D237 VanDerWaalsContact O-CG 3.23Å; Q233-D237 PolarHBondContact O-N 3.14Å |
| 234 | R | 74.3 | Confident | 71.5 | Confident | 151 Ų | 151 | 108.1 Ų | 108.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -36.9 | 176.1 | -72 | 172.9 | -176.4 | -129.7 | 8.2 | 112.3 | E230 A231 E236 L238 | E230-R234 VanDerWaalsContact O-CG 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 2.88Å; E230-R234 IonicContact OE1-CZ 3.32Å; E230-R234 VanDerWaalsContact OE1-CZ 3.32Å; E230-R234 IonicContact OE1-NE 3.19Å; E230-R234 PolarHBondContact OE1-NE 2.98Å; E230-R234 IonicContact OE1-NH2 2.65Å; E230-R234 PolarHBondContact OE1-NH2 3.18Å; A231-R234 PolarHBondContact O-N 3.48Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-L238 WeakPolarHBondContact O-CB 3.49Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.37Å |
| 235 | I | 77.3 | Confident | 70 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 175 | -69.5 | 163.7 | 0 | 0 | 0 | 110.5 | A231 L232 Q233 K239 | A231-I235 WeakPolarHBondContact O-CD1 3.42Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 2.79Å; L232-I235 PolarHBondContact O-N 3.44Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 PolarHBondContact O-N 3.44Å; I235-K239 WeakPolarHBondContact O-CB 3.38Å; I235-K239 PolarHBondContact O-N 2.9Å |
| 236 | E | 73.6 | Confident | 68.6 | Low | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 176.1 | -171.4 | 160.2 | -133.4 | 0 | 0 | 112.4 | L232 Q233 R234 L238 K239 N240 | L232-E236 PolarHBondContact O-N 3.21Å; Q233-E236 CarbonylContact O-C 3.46Å; Q233-E236 PolarHBondContact O-N 3.13Å; R234-E236 VanDerWaalsContact C-N 3.34Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.2Å; E236-K239 CarbonylContact O-C 3.58Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.33Å; E236-K239 PolarHBondContact O-N 3.44Å; E236-K239 VanDerWaalsContact O-N 3.09Å; E236-N240 WeakPolarHBondContact O-CB 3.34Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.27Å; E236-N240 PolarHBondContact O-ND2 3.07Å |
| 237 | D | 70.8 | Confident | 66.8 | Low | 81 Ų | 81 | 107.1 Ų | 107.1 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.3 | -64.6 | -17.1 | 0 | 0 | 0 | 111 | Q233 K239 N240 F241 | Q233-D237 PolarHBondContact NE2-OD1 2.96Å; Q233-D237 VanDerWaalsContact O-CG 3.23Å; Q233-D237 PolarHBondContact O-N 3.14Å; D237-K239 VanDerWaalsContact C-N 3.34Å; D237-N240 PolarHBondContact O-N 3.3Å; D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.94Å |
| 238 | L | 70 | Confident | 65 | Low | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 172.2 | -74.7 | 170.8 | 0 | 0 | 0 | 111.3 | R234 E236 N240 F241 F242 | R234-L238 WeakPolarHBondContact O-CB 3.49Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.37Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.2Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.38Å; L238-F241 PolarHBondContact O-N 2.7Å; L238-F242 HydrophobicContact CB-CD2 4.39Å; L238-F242 HydrophobicContact CB-CE2 4.48Å; L238-F242 HydrophobicContact CD2-CE2 4.43Å; L238-F242 WeakPolarHBondContact O-CB 3.46Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.18Å |
| 239 | K | 71.1 | Confident | 63.3 | Low | 154 Ų | 154 | 107.4 Ų | 107.4 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -35.6 | 175.8 | -171.4 | -176.3 | 171.5 | -164.3 | 0 | 111.8 | I235 E236 D237 F242 G243 | I235-K239 WeakPolarHBondContact O-CB 3.38Å; I235-K239 PolarHBondContact O-N 2.9Å; E236-K239 CarbonylContact O-C 3.58Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.33Å; E236-K239 PolarHBondContact O-N 3.44Å; E236-K239 VanDerWaalsContact O-N 3.09Å; D237-K239 VanDerWaalsContact C-N 3.34Å; K239-F242 CarbonylContact O-C 3.52Å; K239-G243 PolarHBondContact O-N 3.2Å |
| 240 | N | 63 | Low | 62 | Low | 109 Ų | 109 | 108.4 Ų | 108.4 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.5 | -36.3 | 173.5 | -69 | -28.3 | 0 | 0 | 0 | 111.5 | E236 D237 L238 G243 | E236-N240 WeakPolarHBondContact O-CB 3.34Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.27Å; E236-N240 PolarHBondContact O-ND2 3.07Å; D237-N240 PolarHBondContact O-N 3.3Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.38Å; N240-G243 VanDerWaalsContact O-CA 3.31Å; N240-G243 WeakPolarHBondContact O-CA 3.49Å; N240-G243 PolarHBondContact O-N 3.16Å |
| 241 | F | 49.3 | Very low | 60.5 | Low | 181 Ų | 181 | 107.9 Ų | 107.9 | 79% | 0.794 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.1 | -38.1 | 175.3 | -154.7 | -92.9 | 0 | 0 | 0 | 112.3 | D237 L238 G243 | D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.94Å; L238-F241 PolarHBondContact O-N 2.7Å; F241-G243 PolarHBondContact O-N 3.27Å |
| 242 | F | 56.6 | Low | 59 | Low | 134 Ų | 134 | 110 Ų | 110 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -76.7 | -2.5 | 166.9 | -72.5 | -63.5 | 0 | 0 | 0 | 112.9 | L238 K239 M244 | L238-F242 HydrophobicContact CB-CD2 4.39Å; L238-F242 HydrophobicContact CB-CE2 4.48Å; L238-F242 HydrophobicContact CD2-CE2 4.43Å; L238-F242 WeakPolarHBondContact O-CB 3.46Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.18Å; K239-F242 CarbonylContact O-C 3.52Å; F242-M244 PolarHBondContact O-N 3.11Å |
| 243 | G | 41.1 | Very low | 57.4 | Low | 46 Ų | 46 | 111 Ų | 111 | 47% | 0.474 | 56% | 0.562 | S | S | . | * | | | trans | -68.9 | 55.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | K239 N240 F241 S245 | K239-G243 PolarHBondContact O-N 3.2Å; N240-G243 VanDerWaalsContact O-CA 3.31Å; N240-G243 WeakPolarHBondContact O-CA 3.49Å; N240-G243 PolarHBondContact O-N 3.16Å; F241-G243 PolarHBondContact O-N 3.27Å; G243-S245 PolarHBondContact O-N 3.1Å |
| 244 | M | 44.2 | Very low | 55.9 | Low | 109 Ų | 109 | 109.4 Ų | 109.4 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | | | trans | -36.8 | 114.1 | 143.1 | -69 | 178.4 | -79 | 0 | 0 | 106.6 | F242 | F242-M244 PolarHBondContact O-N 3.11Š|
| 245 | S | 44.6 | Very low | 54.3 | Low | 64 Ų | 64 | 107.8 Ų | 107.8 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | | | trans | -49.5 | 145.3 | -172.6 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | G243 Q247 Q248 | G243-S245 PolarHBondContact O-N 3.1Å; S245-Q247 PolarHBondContact O-N 3.01Å; S245-Q248 PolarHBondContact O-N 3.12Å |
| 246 | S | 47.3 | Very low | 52.8 | Low | 95 Ų | 95 | 106.8 Ų | 106.8 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -46.1 | -20.5 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | Q250 | S246-Q250 PolarHBondContact O-N 3.27Å |
| 247 | Q | 44.5 | Very low | 51.5 | Low | 147 Ų | 147 | 105 Ų | 105 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.9 | -34.9 | 176 | -145 | 173.9 | 21.4 | 0 | 0 | 114.1 | S245 T251 | S245-Q247 PolarHBondContact O-N 3.01Å; Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.46Å |
| 248 | Q | 45.2 | Very low | 50.3 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.3 | -36.5 | 176.5 | -95.8 | -178.3 | -6.4 | 0 | 0 | 111.9 | S245 T251 V252 | S245-Q248 PolarHBondContact O-N 3.12Å; Q248-T251 PolarHBondContact O-N 3.11Å; Q248-V252 WeakPolarHBondContact O-CG2 3.46Å; Q248-V252 PolarHBondContact O-N 3.47Å |
| 249 | Q | 47.8 | Very low | 49.2 | Very low | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.7 | -39.7 | 176.2 | -79.3 | -180 | -1.2 | 0 | 0 | 112.6 | T251 V252 L253 | Q249-T251 PolarHBondContact O-N 3.19Å; Q249-V252 PolarHBondContact O-N 2.94Å; Q249-L253 WeakPolarHBondContact O-CB 3.44Å; Q249-L253 PolarHBondContact O-N 2.86Å |
| 250 | Q | 51.8 | Low | 47.8 | Very low | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 176 | -80.3 | -179.4 | 1.5 | 0 | 0 | 112.7 | S246 L253 A254 | S246-Q250 PolarHBondContact O-N 3.27Å; Q250-L253 PolarHBondContact O-N 3.25Å; Q250-A254 WeakPolarHBondContact O-CB 3.37Å; Q250-A254 PolarHBondContact O-N 2.85Å |
| 251 | T | 54 | Low | 46.8 | Very low | 76 Ų | 76 | 97 Ų | 97 | 47% | 0.466 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -40.9 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | Q247 Q248 Q249 M255 | Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.46Å; Q248-T251 PolarHBondContact O-N 3.11Å; Q249-T251 PolarHBondContact O-N 3.19Å; T251-M255 HydrophobicContact CG2-CE 3.84Å; T251-M255 WeakPolarHBondContact O-CB 3.19Å; T251-M255 WeakPolarHBondContact O-CG 3.41Å; T251-M255 PolarHBondContact O-N 3.46Å |
| 252 | V | 48.3 | Very low | 46.7 | Very low | 82 Ų | 82 | 91.4 Ų | 91.4 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -40.3 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | Q248 Q249 N256 | Q248-V252 WeakPolarHBondContact O-CG2 3.46Å; Q248-V252 PolarHBondContact O-N 3.47Å; Q249-V252 PolarHBondContact O-N 2.94Å; V252-N256 WeakPolarHBondContact O-CB 3.37Å; V252-N256 PolarHBondContact O-N 3.45Å |
| 253 | L | 50.8 | Low | 45.5 | Very low | 123 Ų | 123 | 88.3 Ų | 88.3 | 64% | 0.644 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -39.4 | 175.2 | -92.4 | 145 | 0 | 0 | 0 | 112.5 | Q249 Q250 N256 A257 | Q249-L253 WeakPolarHBondContact O-CB 3.44Å; Q249-L253 PolarHBondContact O-N 2.86Å; Q250-L253 PolarHBondContact O-N 3.25Å; L253-N256 PolarHBondContact O-N 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.2Å |
| 254 | A | 48.1 | Very low | 45.1 | Very low | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.9 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q250 A257 A258 | Q250-A254 WeakPolarHBondContact O-CB 3.37Å; Q250-A254 PolarHBondContact O-N 2.85Å; A254-A257 PolarHBondContact O-N 2.97Å; A254-A258 WeakPolarHBondContact O-CB 3.36Å; A254-A258 PolarHBondContact O-N 3.36Å |
| 255 | M | 41 | Very low | 44.6 | Very low | 118 Ų | 118 | 92.4 Ų | 92.4 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -38 | 174.3 | -78.1 | -167.1 | -74.6 | 0 | 0 | 112.3 | T251 A258 A259 | T251-M255 HydrophobicContact CG2-CE 3.84Å; T251-M255 WeakPolarHBondContact O-CB 3.19Å; T251-M255 WeakPolarHBondContact O-CG 3.41Å; T251-M255 PolarHBondContact O-N 3.46Å; M255-A258 PolarHBondContact O-N 3.3Å; M255-A259 WeakPolarHBondContact O-CB 3.43Å; M255-A259 PolarHBondContact O-N 2.97Å |
| 256 | N | 45.7 | Very low | 43.9 | Very low | 83 Ų | 83 | 94 Ų | 94 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -34.6 | 175.4 | -79.4 | -17.3 | 0 | 0 | 0 | 112.6 | V252 L253 A260 | V252-N256 WeakPolarHBondContact O-CB 3.37Å; V252-N256 PolarHBondContact O-N 3.45Å; L253-N256 PolarHBondContact O-N 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.32Å; N256-A260 PolarHBondContact O-N 2.95Å |
| 257 | A | 46.3 | Very low | 43.2 | Very low | 66 Ų | 66 | 95.3 Ų | 95.3 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.2 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L253 A254 A261 | L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.2Å; A254-A257 PolarHBondContact O-N 2.97Å; A257-A261 PolarHBondContact O-N 3.43Å |
| 258 | A | 46.6 | Very low | 42.5 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.1 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A254 M255 A261 A262 | A254-A258 WeakPolarHBondContact O-CB 3.36Å; A254-A258 PolarHBondContact O-N 3.36Å; M255-A258 PolarHBondContact O-N 3.3Å; A258-A261 PolarHBondContact O-N 3.46Å; A258-A262 PolarHBondContact O-N 3.48Å |
| 259 | A | 46.3 | Very low | 42 | Very low | 35 Ų | 35 | 96.8 Ų | 96.8 | 29% | 0.289 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.6 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M255 A261 A262 G263 | M255-A259 WeakPolarHBondContact O-CB 3.43Å; M255-A259 PolarHBondContact O-N 2.97Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.29Å; A259-A262 CarbonylContact O-C 3.57Å; A259-A262 PolarHBondContact O-N 3.03Å; A259-A262 VanDerWaalsContact O-N 3.1Å; A259-G263 PolarHBondContact O-N 3.3Å |
| 260 | A | 41.2 | Very low | 41.1 | Very low | 80 Ų | 80 | 96.1 Ų | 96.1 | 66% | 0.661 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -32.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N256 A262 | N256-A260 WeakPolarHBondContact O-CB 3.32Å; N256-A260 PolarHBondContact O-N 2.95Å; A260-A262 VanDerWaalsContact C-N 3.28Å; A260-A262 PolarHBondContact O-N 2.95Å |
| 261 | A | 42.7 | Very low | 40.1 | Very low | 92 Ų | 92 | 94.7 Ų | 94.7 | 76% | 0.76 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.6 | -22.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A257 A258 A259 | A257-A261 PolarHBondContact O-N 3.43Å; A258-A261 PolarHBondContact O-N 3.46Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.29Å |
| 262 | A | 46.8 | Very low | 38.8 | Very low | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.3 | 5.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A258 A259 A260 H264 | A258-A262 PolarHBondContact O-N 3.48Å; A259-A262 CarbonylContact O-C 3.57Å; A259-A262 PolarHBondContact O-N 3.03Å; A259-A262 VanDerWaalsContact O-N 3.1Å; A260-A262 VanDerWaalsContact C-N 3.28Å; A260-A262 PolarHBondContact O-N 2.95Å; A262-H264 VanDerWaalsContact C-N 3.29Å; A262-H264 PolarHBondContact O-CD2 3.27Å; A262-H264 PolarHBondContact O-N 3Å |
| 263 | G | 31 | Very low | 37.9 | Very low | 70 Ų | 70 | 102.6 Ų | 102.6 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 18.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | A259 | A259-G263 PolarHBondContact O-N 3.3Š|
| 264 | H | 33 | Very low | 36.9 | Very low | 138 Ų | 138 | 105 Ų | 105 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | | | trans | -97 | 138.3 | 173.7 | -68.7 | -68.9 | 0 | 0 | 0 | 111.4 | A262 | A262-H264 VanDerWaalsContact C-N 3.29Å; A262-H264 PolarHBondContact O-CD2 3.27Å; A262-H264 PolarHBondContact O-N 3Å |
| 265 | P | 33.7 | Very low | 35.9 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | | | trans | -64.7 | 152.3 | 177.9 | 27.1 | -33.7 | 0 | 0 | 0 | 111.5 | V267 | P265-V267 PolarHBondContact O-N 3.04Š|
| 266 | P | 30.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 63% | 0.63 | 68% | 0.675 | S | S | * | * | | | trans | -60.6 | 110.5 | -171.2 | 24.6 | -34.2 | 0 | 0 | 0 | 111.3 | M268 | P266-M268 PolarHBondContact O-N 3.46Š|
| 267 | V | 32.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 110.2 Ų | 110.2 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | | | trans | -74.5 | 94.9 | 173.3 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | P265 I269 | P265-V267 PolarHBondContact O-N 3.04Å; V267-I269 PolarHBondContact O-N 3.38Å |
| 268 | M | 29.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 116.4 Ų | 116.4 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | | | trans | -77.9 | 20.9 | -178.2 | -91.5 | -71.3 | -69.6 | 0 | 0 | 114.9 | P266 | P266-M268 PolarHBondContact O-N 3.46Š|
| 269 | I | 34.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 118 Ų | 118 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -144 | 121.6 | 177.9 | -52.4 | 178.9 | 0 | 0 | 0 | 109.4 | V267 | V267-I269 PolarHBondContact O-N 3.38Š|
| 270 | P | 29.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 127 | 173.4 | 25.7 | -31.1 | 0 | 0 | 0 | 108.7 | F272 | P270-F272 PolarHBondContact O-N 2.99Š|
| 271 | P | 30.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 124.7 | 170.9 | 26.2 | -30.8 | 0 | 0 | 0 | 107.4 | V273 | P271-V273 PolarHBondContact O-N 2.96Š|
| 272 | F | 27 | Very low | 30.3 | Very low | 189 Ų | 189 | 129 Ų | 129 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 116.5 | 165.3 | -72.7 | -88 | 0 | 0 | 0 | 107.2 | P270 M274 | P270-F272 PolarHBondContact O-N 2.99Å; F272-M274 PolarHBondContact O-N 3.43Å |
| 273 | V | 29.3 | Very low | 29.2 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -62.8 | 92.7 | 168.7 | -175.5 | 0 | 0 | 0 | 0 | 105.8 | P271 N275 | P271-V273 PolarHBondContact O-N 2.96Å; V273-N275 PolarHBondContact O-N 2.97Å |
| 274 | M | 28.7 | Very low | 29.2 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | -65.9 | 107.6 | 162.4 | -78.6 | -173.8 | -152.6 | 0 | 0 | 105.8 | F272 D276 | F272-M274 PolarHBondContact O-N 3.43Å; M274-D276 PolarHBondContact O-N 2.85Å |
| 275 | N | 26.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -35.2 | 126.4 | 176.6 | -142.6 | -29.7 | 0 | 0 | 0 | 111.6 | V273 G277 | V273-N275 PolarHBondContact O-N 2.97Å; N275-G277 PolarHBondContact O-N 2.79Å |
| 276 | D | 26.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -46.5 | 110.8 | -179.2 | -80.7 | -58.6 | 0 | 0 | 0 | 112.6 | M274 | M274-D276 PolarHBondContact O-N 2.85Š|
| 277 | G | 26.6 | Very low | 28.4 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -126.7 | 62.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N275 | N275-G277 PolarHBondContact O-N 2.79Š|
| 278 | K | 31.7 | Very low | 28 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | 73.9 | 108.7 | 176.4 | -60.1 | -177.9 | 177.6 | -177.4 | 0 | 115.7 | M280 | K278-M280 PolarHBondContact O-N 3.45Š|
| 279 | A | 26.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -46.3 | 100.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 280 | M | 27.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | | | trans | -97.7 | 97.5 | 147.3 | -74.1 | -150 | -154.2 | 0 | 0 | 106.7 | K278 V282 | K278-M280 PolarHBondContact O-N 3.45Å; M280-V282 HydrophobicContact CB-CG2 3.84Å; M280-V282 PolarHBondContact O-N 3.37Å |
| 281 | N | 24.3 | Very low | 27.6 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -62.7 | 85.6 | 157.1 | -178.8 | 7.8 | 0 | 0 | 0 | 107 | | |
| 282 | V | 29.7 | Very low | 27.6 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | | | trans | -92.4 | 102 | 166.6 | -159 | 0 | 0 | 0 | 0 | 105.5 | M280 A284 | M280-V282 HydrophobicContact CB-CG2 3.84Å; M280-V282 PolarHBondContact O-N 3.37Å; V282-A284 PolarHBondContact O-N 3Å |
| 283 | S | 24.6 | Very low | 27.4 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | -43.5 | 123.5 | 172.3 | -157.9 | 0 | 0 | 0 | 0 | 109.8 | E285 | S283-E285 PolarHBondContact O-N 3.37Š|
| 284 | A | 30.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -73.6 | 76 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | V282 | V282-A284 PolarHBondContact O-N 3Š|
| 285 | E | 26.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -153.7 | 117.9 | 163.5 | -110.5 | 177.7 | 157.1 | 0 | 0 | 108.8 | S283 | S283-E285 PolarHBondContact O-N 3.37Š|
| 286 | N | 24.2 | Very low | 27.5 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 66.8 | 82.9 | 170.3 | -82.3 | -23 | 0 | 0 | 0 | 118.9 | | |
| 287 | V | 31 | Very low | 27.8 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -136 | 75.6 | 130.5 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | G289 | V287-G289 PolarHBondContact O-N 3Š|
| 288 | S | 23.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | -62 | 101.7 | 142.4 | -66.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 289 | G | 22.8 | Very low | 28.7 | Very low | 55 Ų | 55 | 116 Ų | 116 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | | | trans | 157.8 | 99.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | V287 | V287-G289 PolarHBondContact O-N 3Š|
| 290 | A | 25.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | | | trans | 85.4 | 140.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 291 | P | 35.9 | Very low | 30.4 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -105.2 | 137 | -152.8 | 36.3 | -23.9 | 0 | 0 | 0 | 112.2 | | |
| 292 | L | 31.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 116.2 Ų | 116.2 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | | | trans | -122.1 | 114.8 | 165.4 | -74.5 | 170.3 | 0 | 0 | 0 | 108.2 | G294 | L292-G294 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact O-N 3.11Å |
| 293 | G | 23.3 | Very low | 31.9 | Very low | 87 Ų | 87 | 116.1 Ų | 116.1 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | | | trans | -55.7 | 108.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 294 | G | 29.8 | Very low | 33.7 | Very low | 50 Ų | 50 | 118.8 Ų | 118.8 | 52% | 0.515 | 72% | 0.721 | S | S | . | * | | | trans | -86.7 | 148.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109 | L292 V296 | L292-G294 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact O-N 3.11Å; G294-V296 PolarHBondContact O-N 3.34Å |
| 295 | P | 28.9 | Very low | 35 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | | | trans | -60.1 | 115.6 | -175.4 | 25.7 | -32.5 | 0 | 0 | 0 | 109.6 | L297 | P295-L297 HydrophobicContact CB-CD1 4.19Å; P295-L297 HydrophobicContact CB-CG 4.26Å; P295-L297 PolarHBondContact O-N 3.06Å |
| 296 | V | 27.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | | | trans | -67.9 | 82 | 166.7 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | G294 | G294-V296 PolarHBondContact O-N 3.34Š|
| 297 | L | 32 | Very low | 39 | Very low | 137 Ų | 137 | 113.1 Ų | 113.1 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | | | trans | -111.8 | 19.2 | 172.7 | -80.3 | 173.6 | 0 | 0 | 0 | 112 | P295 | P295-L297 HydrophobicContact CB-CD1 4.19Å; P295-L297 HydrophobicContact CB-CG 4.26Å; P295-L297 PolarHBondContact O-N 3.06Å |
| 298 | S | 41.2 | Very low | 40.7 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 51% | 0.51 | 66% | 0.662 | S | S | . | * | | | trans | -98.8 | -3.2 | -176.1 | -66.9 | 0 | 0 | 0 | 0 | 116 | R300 T301 E302 | S298-R300 VanDerWaalsContact C-N 3.32Å; S298-R300 PolarHBondContact O-N 3.49Å; S298-T301 PolarHBondContact O-OG1 2.98Å; S298-E302 PolarHBondContact O-N 2.8Å |
| 299 | S | 37 | Very low | 42.9 | Very low | 92 Ų | 92 | 109.4 Ų | 109.4 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.5 | -25 | 178.4 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 300 | R | 37.2 | Very low | 45.5 | Very low | 211 Ų | 211 | 111.8 Ų | 111.8 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86 | -32.2 | -179.3 | -162.9 | 175 | -175 | 179.4 | 1.9 | 113.2 | S298 Q304 | S298-R300 VanDerWaalsContact C-N 3.32Å; S298-R300 PolarHBondContact O-N 3.49Å; R300-Q304 PolarHBondContact O-N 3.22Å |
| 301 | T | 50.8 | Low | 47.9 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 53% | 0.534 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -75.9 | -34.1 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | S298 Q305 | S298-T301 PolarHBondContact O-OG1 2.98Å; T301-Q305 WeakPolarHBondContact O-CB 3.48Å; T301-Q305 PolarHBondContact O-N 3.08Å; T301-Q305 VanDerWaalsContact O-N 3.09Å |
| 302 | E | 44.8 | Very low | 50 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.593 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.3 | -45.9 | 173.2 | -99.4 | -178.6 | 121 | 0 | 0 | 111.4 | S298 Q304 Q305 V306 | S298-E302 PolarHBondContact O-N 2.8Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 3.18Å; E302-Q305 PolarHBondContact O-N 3.28Å; E302-V306 WeakPolarHBondContact O-CB 3.26Å; E302-V306 VanDerWaalsContact O-CG2 3.26Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.49Å |
| 303 | Q | 42.4 | Very low | 52.3 | Low | 113 Ų | 113 | 112.9 Ų | 112.9 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.8 | -40.5 | -178.8 | -163.9 | 65.4 | 40.4 | 0 | 0 | 112.2 | V306 D307 | Q303-V306 PolarHBondContact O-N 2.97Å; Q303-D307 WeakPolarHBondContact O-CB 3.38Å; Q303-D307 PolarHBondContact O-N 3.02Å |
| 304 | Q | 60.7 | Low | 54.9 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.6 | -30.4 | 178.7 | -160.9 | 167.5 | 16.6 | 0 | 0 | 112.7 | R300 E302 A308 | R300-Q304 PolarHBondContact O-N 3.22Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 3.18Å; Q304-A308 WeakPolarHBondContact O-CB 3.37Å; Q304-A308 PolarHBondContact O-N 3.03Å |
| 305 | Q | 58.9 | Low | 57.5 | Low | 139 Ų | 139 | 117.8 Ų | 117.8 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.8 | -38.3 | 173.3 | -168.8 | 171.3 | 17.2 | 0 | 0 | 111.7 | T301 E302 A308 Q309 | T301-Q305 WeakPolarHBondContact O-CB 3.48Å; T301-Q305 PolarHBondContact O-N 3.08Å; T301-Q305 VanDerWaalsContact O-N 3.09Å; E302-Q305 PolarHBondContact O-N 3.28Å; Q305-A308 PolarHBondContact O-N 3.24Å; Q305-Q309 VanDerWaalsContact O-CB 3.31Å; Q305-Q309 WeakPolarHBondContact O-CB 3.35Å; Q305-Q309 PolarHBondContact O-N 2.78Å |
| 306 | V | 65.7 | Low | 60.1 | Low | 75 Ų | 75 | 115.3 Ų | 115.3 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.8 | -43.7 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | E302 Q303 A308 Q309 L310 | E302-V306 WeakPolarHBondContact O-CB 3.26Å; E302-V306 VanDerWaalsContact O-CG2 3.26Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.49Å; Q303-V306 PolarHBondContact O-N 2.97Å; V306-A308 PolarHBondContact O-N 2.92Å; V306-Q309 PolarHBondContact O-N 3.06Å; V306-L310 WeakPolarHBondContact O-CB 3.33Å; V306-L310 PolarHBondContact O-N 3.32Å |
| 307 | D | 67.8 | Low | 62.2 | Low | 86 Ų | 86 | 111.5 Ų | 111.5 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -42 | 176.7 | -76.2 | -15 | 0 | 0 | 0 | 111.7 | Q303 Q309 L310 Q311 | Q303-D307 WeakPolarHBondContact O-CB 3.38Å; Q303-D307 PolarHBondContact O-N 3.02Å; D307-Q309 PolarHBondContact O-N 2.97Å; D307-L310 PolarHBondContact O-N 3.43Å; D307-Q311 WeakPolarHBondContact O-CB 3.21Å; D307-Q311 PolarHBondContact O-N 3.3Å |
| 308 | A | 66.7 | Low | 64.3 | Low | 53 Ų | 53 | 111.1 Ų | 111.1 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q304 Q305 V306 Q311 W312 | Q304-A308 WeakPolarHBondContact O-CB 3.37Å; Q304-A308 PolarHBondContact O-N 3.03Å; Q305-A308 PolarHBondContact O-N 3.24Å; V306-A308 PolarHBondContact O-N 2.92Å; A308-Q311 PolarHBondContact O-N 3.27Å; A308-W312 WeakPolarHBondContact O-CB 3.33Å; A308-W312 PolarHBondContact O-N 3.42Å |
| 309 | Q | 69.9 | Low | 65.9 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 176.5 | -171.7 | 174.6 | 2.7 | 0 | 0 | 112.1 | Q305 V306 D307 W312 Q313 | Q305-Q309 VanDerWaalsContact O-CB 3.31Å; Q305-Q309 WeakPolarHBondContact O-CB 3.35Å; Q305-Q309 PolarHBondContact O-N 2.78Å; V306-Q309 PolarHBondContact O-N 3.06Å; D307-Q309 PolarHBondContact O-N 2.97Å; Q309-W312 PolarHBondContact O-N 3.49Å; Q309-Q313 PolarHBondContact O-N 3.18Å |
| 310 | L | 77.1 | Confident | 67.8 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.2 | -43.3 | 174.6 | -170.4 | 68.1 | 0 | 0 | 0 | 111 | V306 D307 W312 Q313 Q314 | V306-L310 WeakPolarHBondContact O-CB 3.33Å; V306-L310 PolarHBondContact O-N 3.32Å; D307-L310 PolarHBondContact O-N 3.43Å; L310-W312 VanDerWaalsContact C-N 3.28Å; L310-W312 PolarHBondContact O-N 2.98Å; L310-Q313 PolarHBondContact O-N 3.49Å; L310-Q314 PolarHBondContact O-N 3.45Å |
| 311 | Q | 77.4 | Confident | 69.3 | Low | 131 Ų | 131 | 107.4 Ų | 107.4 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -37.8 | 174.5 | -169.5 | -179.2 | 17.2 | 0 | 0 | 111.6 | D307 A308 Q314 L315 | D307-Q311 WeakPolarHBondContact O-CB 3.21Å; D307-Q311 PolarHBondContact O-N 3.3Å; A308-Q311 PolarHBondContact O-N 3.27Å; Q311-Q314 WeakPolarHBondContact O-CB 3.47Å; Q311-Q314 PolarHBondContact O-N 3.39Å; Q311-L315 HydrophobicContact CG-CD1 4.41Å; Q311-L315 PolarHBondContact O-N 2.92Å |
| 312 | W | 80.1 | Confident | 70.5 | Confident | 170 Ų | 170 | 109.2 Ų | 109.2 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 177.1 | -153 | 92.2 | 0 | 0 | 0 | 112.2 | A308 Q309 L310 Q314 L315 V316 | A308-W312 WeakPolarHBondContact O-CB 3.33Å; A308-W312 PolarHBondContact O-N 3.42Å; Q309-W312 PolarHBondContact O-N 3.49Å; L310-W312 VanDerWaalsContact C-N 3.28Å; L310-W312 PolarHBondContact O-N 2.98Å; W312-Q314 VanDerWaalsContact C-N 3.29Å; W312-Q314 PolarHBondContact O-N 3.23Å; W312-L315 PolarHBondContact O-N 2.66Å; W312-V316 HydrophobicContact CD2-CG2 4.08Å; W312-V316 HydrophobicContact CE3-CG2 3.43Å; W312-V316 VanDerWaalsContact CE3-CG2 3.43Å; W312-V316 HydrophobicContact CH2-CG2 3.53Å; W312-V316 HydrophobicContact CZ2-CG2 4.15Å; W312-V316 HydrophobicContact CZ3-CB 4.4Å; W312-V316 HydrophobicContact CZ3-CG2 3.16Å; W312-V316 WeakPolarHBondContact O-CG2 3.06Å; W312-V316 PolarHBondContact O-N 2.72Å |
| 313 | Q | 78.2 | Confident | 71.6 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | 172.4 | -93.2 | 174.5 | 88.9 | 0 | 0 | 112.1 | Q309 L310 V316 A317 | Q309-Q313 PolarHBondContact O-N 3.18Å; L310-Q313 PolarHBondContact O-N 3.49Å; Q313-V316 PolarHBondContact O-N 3.06Å; Q313-A317 WeakPolarHBondContact O-CB 3.36Å; Q313-A317 PolarHBondContact O-N 2.84Å |
| 314 | Q | 78.6 | Confident | 72.5 | Confident | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 174.5 | -163.8 | 95 | 54.9 | 0 | 0 | 111.5 | L310 Q311 W312 A317 E318 | L310-Q314 PolarHBondContact O-N 3.45Å; Q311-Q314 WeakPolarHBondContact O-CB 3.47Å; Q311-Q314 PolarHBondContact O-N 3.39Å; W312-Q314 VanDerWaalsContact C-N 3.29Å; W312-Q314 PolarHBondContact O-N 3.23Å; Q314-A317 PolarHBondContact O-N 3.28Å; Q314-E318 WeakPolarHBondContact O-CB 3.35Å; Q314-E318 PolarHBondContact O-N 3.45Å |
| 315 | L | 83.4 | Confident | 72 | Confident | 103 Ų | 103 | 109 Ų | 109 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 179.5 | -114 | 116.4 | 0 | 0 | 0 | 112.7 | Q311 W312 E318 H319 | Q311-L315 HydrophobicContact CG-CD1 4.41Å; Q311-L315 PolarHBondContact O-N 2.92Å; W312-L315 PolarHBondContact O-N 2.66Å; L315-E318 PolarHBondContact O-N 3.5Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.94Å |
| 316 | V | 83.5 | Confident | 71.8 | Confident | 59 Ų | 59 | 109.3 Ų | 109.3 | 36% | 0.358 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | W312 Q313 E318 H319 E320 | W312-V316 HydrophobicContact CD2-CG2 4.08Å; W312-V316 HydrophobicContact CE3-CG2 3.43Å; W312-V316 VanDerWaalsContact CE3-CG2 3.43Å; W312-V316 HydrophobicContact CH2-CG2 3.53Å; W312-V316 HydrophobicContact CZ2-CG2 4.15Å; W312-V316 HydrophobicContact CZ3-CB 4.4Å; W312-V316 HydrophobicContact CZ3-CG2 3.16Å; W312-V316 WeakPolarHBondContact O-CG2 3.06Å; W312-V316 PolarHBondContact O-N 2.72Å; Q313-V316 PolarHBondContact O-N 3.06Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 2.98Å; V316-H319 PolarHBondContact O-N 3.22Å; V316-E320 WeakPolarHBondContact O-CB 3.49Å; V316-E320 PolarHBondContact O-N 2.95Å |
| 317 | A | 73 | Confident | 71.2 | Confident | 56 Ų | 56 | 112.9 Ų | 112.9 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q313 Q314 E320 A321 | Q313-A317 WeakPolarHBondContact O-CB 3.36Å; Q313-A317 PolarHBondContact O-N 2.84Å; Q314-A317 PolarHBondContact O-N 3.28Å; A317-E320 PolarHBondContact O-N 3.46Å; A317-A321 WeakPolarHBondContact O-CB 3.31Å; A317-A321 PolarHBondContact O-N 3.46Å |
| 318 | E | 75.4 | Confident | 69.7 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 60% | 0.598 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -43.3 | 175.7 | -166.2 | -169 | 151.4 | 0 | 0 | 111.8 | Q314 L315 V316 E320 A321 K322 | Q314-E318 WeakPolarHBondContact O-CB 3.35Å; Q314-E318 PolarHBondContact O-N 3.45Å; L315-E318 PolarHBondContact O-N 3.5Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 2.98Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.19Å; E318-A321 PolarHBondContact O-N 2.84Å; E318-K322 VanDerWaalsContact O-CB 3.31Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 PolarHBondContact O-N 3.4Å |
| 319 | H | 74.4 | Confident | 68.2 | Low | 128 Ų | 128 | 117 Ų | 117 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69 | -28.1 | 179.8 | -154.3 | -62.5 | 0 | 0 | 0 | 112.4 | L315 V316 K323 | L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.94Å; V316-H319 PolarHBondContact O-N 3.22Å; H319-K323 PolarHBondContact O-N 3.15Å |
| 320 | E | 77.7 | Confident | 66.6 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.4 | -43.6 | 172.3 | -170.1 | 169.2 | -176.4 | 0 | 0 | 112 | V316 A317 E318 K322 K323 Q324 | V316-E320 WeakPolarHBondContact O-CB 3.49Å; V316-E320 PolarHBondContact O-N 2.95Å; A317-E320 PolarHBondContact O-N 3.46Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.19Å; E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.33Å; E320-K323 WeakPolarHBondContact O-CB 3.27Å; E320-K323 PolarHBondContact O-N 3.44Å; E320-K323 VanDerWaalsContact O-N 3.1Å; E320-Q324 PolarHBondContact O-N 3.28Å; E320-Q324 VanDerWaalsContact O-N 3.11Å |
| 321 | A | 68.8 | Low | 64.4 | Low | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.6 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A317 E318 K323 Q324 M325 | A317-A321 WeakPolarHBondContact O-CB 3.31Å; A317-A321 PolarHBondContact O-N 3.46Å; E318-A321 PolarHBondContact O-N 2.84Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.21Å; A321-Q324 PolarHBondContact O-N 2.91Å; A321-M325 PolarHBondContact O-N 3.13Å |
| 322 | K | 75.3 | Confident | 62.1 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.9 | -30.2 | 176.2 | -162.5 | 167.6 | -173.8 | 171.7 | 0 | 112.4 | E318 E320 H326 | E318-K322 VanDerWaalsContact O-CB 3.31Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 PolarHBondContact O-N 3.4Å; E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.33Å; K322-H326 PolarHBondContact O-N 3.48Å; K322-H326 PolarHBondContact O-ND1 3.03Å |
| 323 | K | 69 | Low | 60 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 44% | 0.443 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.8 | -37.9 | 173.8 | -165 | -175.5 | 176.4 | -164.8 | 0 | 111.5 | H319 E320 A321 Q327 | H319-K323 PolarHBondContact O-N 3.15Å; E320-K323 WeakPolarHBondContact O-CB 3.27Å; E320-K323 PolarHBondContact O-N 3.44Å; E320-K323 VanDerWaalsContact O-N 3.1Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.21Å; K323-Q327 WeakPolarHBondContact O-CG 3.33Å; K323-Q327 PolarHBondContact O-N 3.37Å |
| 324 | Q | 60.8 | Low | 57.8 | Low | 131 Ų | 131 | 118 Ų | 118 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 175.4 | -65.2 | -162.2 | 23.7 | 0 | 0 | 112.3 | E320 A321 H326 Q327 G328 | E320-Q324 PolarHBondContact O-N 3.28Å; E320-Q324 VanDerWaalsContact O-N 3.11Å; A321-Q324 PolarHBondContact O-N 2.91Å; Q324-H326 VanDerWaalsContact C-N 3.32Å; Q324-H326 PolarHBondContact O-N 3.17Å; Q324-Q327 PolarHBondContact O-N 3.22Å; Q324-Q327 VanDerWaalsContact O-N 3.15Å; Q324-G328 PolarHBondContact O-N 3.44Å |
| 325 | M | 50 | Low | 55.4 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 73% | 0.729 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.9 | -34.1 | 176.3 | -71.8 | -127.8 | -66.8 | 0 | 0 | 113.4 | A321 | A321-M325 PolarHBondContact O-N 3.13Å |
| 326 | H | 55.4 | Low | 52.8 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.9 | -16.3 | 175.7 | -74 | 78.4 | 0 | 0 | 0 | 113.8 | K322 Q324 | K322-H326 PolarHBondContact O-N 3.48Å; K322-H326 PolarHBondContact O-ND1 3.03Å; Q324-H326 VanDerWaalsContact C-N 3.32Å; Q324-H326 PolarHBondContact O-N 3.17Å |
| 327 | Q | 52.1 | Low | 50.2 | Low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -92.2 | -18.4 | 171.4 | -73.5 | -174.9 | -0.2 | 0 | 0 | 112.8 | K323 Q324 | K323-Q327 WeakPolarHBondContact O-CG 3.33Å; K323-Q327 PolarHBondContact O-N 3.37Å; Q324-Q327 PolarHBondContact O-N 3.22Å; Q324-Q327 VanDerWaalsContact O-N 3.15Å |
| 328 | G | 37.8 | Very low | 48.3 | Very low | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -85.6 | 6.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q324 P330 | Q324-G328 PolarHBondContact O-N 3.44Å; G328-P330 WeakPolarHBondContact O-CD 3.4Å |
| 329 | M | 34 | Very low | 46.1 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 82% | 0.823 | 69% | 0.692 | S | S | * | * | | | trans | -100.5 | 84.4 | 169.5 | -76.9 | -93.8 | -178.8 | 0 | 0 | 109.5 | N331 | M329-N331 PolarHBondContact O-N 3.48Å; M329-N331 VanDerWaalsContact O-N 3.16Å |
| 330 | P | 36 | Very low | 43.9 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | -67.4 | 113 | 168.9 | 28.3 | -32.1 | 0 | 0 | 0 | 109.3 | G328 M332 | G328-P330 WeakPolarHBondContact O-CD 3.4Å; P330-M332 PolarHBondContact O-N 3.05Å |
| 331 | N | 30.8 | Very low | 41.6 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | | | trans | 7.7 | 110.3 | 139.1 | -154.4 | 21 | 0 | 0 | 0 | 115.6 | M329 | M329-N331 PolarHBondContact O-N 3.48Å; M329-N331 VanDerWaalsContact O-N 3.16Å |
| 332 | M | 29 | Very low | 39.5 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | | | trans | -125.5 | 121.3 | 151.1 | -86.8 | -68.9 | -79.4 | 0 | 0 | 108.9 | P330 | P330-M332 PolarHBondContact O-N 3.05Š|
| 333 | P | 36 | Very low | 37.5 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 129.9 | -176.6 | 30.8 | -31.9 | 0 | 0 | 0 | 110.4 | M335 | P333-M335 PolarHBondContact O-N 3.01Š|
| 334 | V | 32.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 120.2 | 167.3 | 178 | 0 | 0 | 0 | 0 | 108 | | |
| 335 | M | 27.5 | Very low | 34.6 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 132.5 | -171.6 | -56.8 | -169 | -169.6 | 0 | 0 | 115.3 | P333 | P333-M335 PolarHBondContact O-N 3.01Š|
| 336 | A | 29.3 | Very low | 33.5 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | | | trans | -136.8 | 55.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S338 | A336-S338 PolarHBondContact O-N 2.79Š|
| 337 | T | 30 | Very low | 32.4 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -86.8 | 96.2 | 163.2 | 44.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 338 | S | 32.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -88.4 | 132.4 | 148.7 | -158.1 | 0 | 0 | 0 | 0 | 107.7 | A336 | A336-S338 PolarHBondContact O-N 2.79Š|
| 339 | V | 28.7 | Very low | 30.8 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -74 | 137.6 | -166.2 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 340 | C | 27.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -174.1 | 103 | 136.4 | -91.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 341 | N | 29.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | 37.2 | 120.2 | 143.5 | -67.3 | -16.2 | 0 | 0 | 0 | 122.7 | | |
| 342 | N | 24.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -30.9 | 131.9 | 145.9 | -66.8 | -32.3 | 0 | 0 | 0 | 114.7 | | |
| 343 | V | 34 | Very low | 30.6 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | | 175.6 | 137 | 124.5 | 162.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 344 | P | 33.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -92 | 133.7 | -164.3 | 34.7 | -29.7 | 0 | 0 | 0 | 112.6 | S346 | P344-S346 PolarHBondContact O-N 2.95Š|
| 345 | P | 34.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -93 | 104.6 | 169.8 | 32.1 | -24.8 | 0 | 0 | 0 | 110 | | |
| 346 | S | 28.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -66.1 | 150.7 | 147.4 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | P344 | P344-S346 PolarHBondContact O-N 2.95Š|
| 347 | A | 30.3 | Very low | 31.1 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 80.6 | 115.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 348 | A | 24.7 | Very low | 31.5 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | -51.7 | 155.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 349 | P | 32.4 | Very low | 31.7 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -108.7 | 114.2 | 141.5 | 31 | -18.2 | 0 | 0 | 0 | 110 | | |
| 350 | T | 31.4 | Very low | 32.1 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -75.8 | 120.6 | 155.9 | -52.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 351 | D | 32.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | trans | 164.5 | 102.4 | 142 | -85.9 | -26.1 | 0 | 0 | 0 | 110.7 | | |
| 352 | V | 30.1 | Very low | 32.6 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | | 52.5 | 104.5 | 104.3 | -167.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 353 | A | 31 | Very low | 33.8 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | | | | 173 | 113.6 | 127.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 354 | F | 31.6 | Very low | 34.3 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | 31.8 | 94.4 | 146.2 | -75.9 | -92.8 | 0 | 0 | 0 | 119.3 | | |
| 355 | L | 36.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -112.6 | 131.7 | 153.1 | -79.5 | 163.3 | 0 | 0 | 0 | 109.6 | | |
| 356 | R | 34.5 | Very low | 34.9 | Very low | 216 Ų | 216 | 137.6 Ų | 137.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -49.7 | 150.3 | -164.5 | -71.1 | 172.5 | 168.3 | -176.7 | -4.6 | 115.4 | G358 | R356-G358 PolarHBondContact O-N 3.39Š|
| 357 | P | 34.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 123.3 | 173.5 | -21.5 | 31.4 | 0 | 0 | 0 | 111 | | |
| 358 | G | 37.6 | Very low | 35.8 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.9 | -18.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R356 R360 | R356-G358 PolarHBondContact O-N 3.39Å; G358-R360 PolarHBondContact O-N 3.48Å |
| 359 | T | 38.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -86.4 | 102.8 | 177.8 | -33.5 | 0 | 0 | 0 | 0 | 109.7 | M361 | T359-M361 PolarHBondContact O-N 3.12Å; T359-M361 VanDerWaalsContact O-N 3.13Å |
| 360 | R | 35.7 | Very low | 36.5 | Very low | 217 Ų | 217 | 143.4 Ų | 143.4 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | | | trans | -63.9 | 108.2 | 178.3 | -68.3 | -178.6 | 168.7 | -155.8 | -3.4 | 110 | G358 V362 | G358-R360 PolarHBondContact O-N 3.48Å; R360-V362 PolarHBondContact O-N 3.04Å |
| 361 | M | 30.6 | Very low | 36.7 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | | | trans | -68 | 121.5 | 166 | -91.8 | -176.2 | 59.2 | 0 | 0 | 109.6 | T359 V363 | T359-M361 PolarHBondContact O-N 3.12Å; T359-M361 VanDerWaalsContact O-N 3.13Å; M361-V363 HydrophobicContact CE-CG2 4.27Å; M361-V363 PolarHBondContact O-N 3.26Å |
| 362 | V | 38.6 | Very low | 37.2 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -87.3 | 98.2 | 175.8 | -154.4 | 0 | 0 | 0 | 0 | 107.3 | R360 | R360-V362 PolarHBondContact O-N 3.04Š|
| 363 | V | 48.5 | Very low | 38 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 62% | 0.618 | 79% | 0.793 | S | S | * | * | | | trans | -96.3 | 104.3 | 167.6 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | M361 G365 | M361-V363 HydrophobicContact CE-CG2 4.27Å; M361-V363 PolarHBondContact O-N 3.26Å; V363-G365 PolarHBondContact O-N 2.78Å |
| 364 | Q | 44.7 | Very low | 38.6 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 38.8 | 62.8 | 174.3 | -78.5 | -178.6 | -18.3 | 0 | 0 | 115.4 | K366 | Q364-K366 PolarHBondContact O-N 3.32Š|
| 365 | G | 37.9 | Very low | 38.6 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.6 | 10.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | V363 | V363-G365 PolarHBondContact O-N 2.78Š|
| 366 | K | 43.2 | Very low | 38.8 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -133.6 | 131.1 | 167.5 | -68.2 | 178.5 | -178.5 | 170.5 | 0 | 110.4 | Q364 A368 | Q364-K366 PolarHBondContact O-N 3.32Å; K366-A368 PolarHBondContact O-N 3.19Å; K366-A368 VanDerWaalsContact O-N 3.07Å |
| 367 | P | 40.2 | Very low | 39 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -64.4 | 113.1 | 172.4 | 25.9 | -30.9 | 0 | 0 | 0 | 108.7 | L369 | P367-L369 PolarHBondContact O-N 3.18Å; P367-L369 VanDerWaalsContact O-N 3.07Å |
| 368 | A | 37 | Very low | 39.2 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 110.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | K366 M370 | K366-A368 PolarHBondContact O-N 3.19Å; K366-A368 VanDerWaalsContact O-N 3.07Å; A368-M370 VanDerWaalsContact C-N 3.34Å; A368-M370 PolarHBondContact O-N 2.91Å |
| 369 | L | 37 | Very low | 38.9 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -63.3 | 102.6 | 163.9 | -78.9 | 162 | 0 | 0 | 0 | 106.2 | P367 V371 | P367-L369 PolarHBondContact O-N 3.18Å; P367-L369 VanDerWaalsContact O-N 3.07Å; L369-V371 PolarHBondContact O-N 3.27Å |
| 370 | M | 35.2 | Very low | 38.9 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -51.7 | 112.1 | 170 | -76.6 | 174.3 | 65.5 | 0 | 0 | 108.1 | A368 P372 | A368-M370 VanDerWaalsContact C-N 3.34Å; A368-M370 PolarHBondContact O-N 2.91Å; M370-P372 WeakPolarHBondContact O-CD 3.45Å |
| 371 | V | 36.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.3 | 169.4 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | L369 | L369-V371 PolarHBondContact O-N 3.27Š|
| 372 | P | 43.2 | Very low | 39.1 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.5 | 176.2 | 25 | -31.7 | 0 | 0 | 0 | 109.9 | M370 V374 | M370-P372 WeakPolarHBondContact O-CD 3.45Å; P372-V374 PolarHBondContact O-N 3.22Å |
| 373 | P | 46.7 | Very low | 38.7 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.8 | 180 | 23.7 | -31.9 | 0 | 0 | 0 | 110.3 | A375 | P373-A375 PolarHBondContact O-N 3.27Š|
| 374 | V | 43.4 | Very low | 38 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -64.2 | 112.5 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | P372 | P372-V374 PolarHBondContact O-N 3.22Š|
| 375 | A | 31.5 | Very low | 37.3 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61 | 140.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P373 | P373-A375 PolarHBondContact O-N 3.27Š|
| 376 | P | 39.4 | Very low | 37.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.3 | -177.7 | 22.6 | -30.6 | 0 | 0 | 0 | 111.6 | R378 | P376-R378 PolarHBondContact O-N 3.25Š|
| 377 | P | 40 | Very low | 37 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 121.1 | -169.2 | 25 | -34.1 | 0 | 0 | 0 | 111.7 | A379 | P377-A379 PolarHBondContact O-N 3.31Š|
| 378 | R | 37.3 | Very low | 36.6 | Very low | 243 Ų | 243 | 137.9 Ų | 137.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.1 | 167.5 | -101.7 | -178.7 | 173.4 | -173.2 | -1.5 | 109.1 | P376 | P376-R378 PolarHBondContact O-N 3.25Š|
| 379 | A | 32.4 | Very low | 36.8 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 148.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P377 Q381 | P377-A379 PolarHBondContact O-N 3.31Å; A379-Q381 PolarHBondContact O-N 2.76Å |
| 380 | P | 39.2 | Very low | 36.9 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 122.8 | -171.3 | 24.7 | -32.8 | 0 | 0 | 0 | 111.7 | | |
| 381 | Q | 34.7 | Very low | 36.6 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 130.5 | 170.5 | -71.8 | -139.9 | -21.3 | 0 | 0 | 110.7 | A379 | A379-Q381 PolarHBondContact O-N 2.76Š|
| 382 | S | 33.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 140.4 | -179.6 | -162 | 0 | 0 | 0 | 0 | 112.6 | R384 | S382-R384 PolarHBondContact O-N 2.87Š|
| 383 | V | 32.1 | Very low | 36.5 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 125.1 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 384 | R | 33.8 | Very low | 35.9 | Very low | 240 Ų | 240 | 134.8 Ų | 134.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | trans | -104.6 | 122.4 | 161 | -129.8 | -176.7 | -174.4 | -175.1 | 1.9 | 108.1 | S382 | S382-R384 PolarHBondContact O-N 2.87Š|
| 385 | G | 29.7 | Very low | 35.4 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | | | trans | -63.3 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R387 | G385-R387 PolarHBondContact O-N 2.78Š|
| 386 | P | 41.2 | Very low | 35.6 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | trans | -70 | 127.6 | -160.3 | 28.5 | -33.7 | 0 | 0 | 0 | 111.9 | G388 | P386-G388 PolarHBondContact O-N 3.05Š|
| 387 | R | 32.5 | Very low | 35.1 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | -73.9 | 114.9 | 163.6 | -78.4 | -178 | 169.5 | -174.8 | -4.4 | 108.3 | G385 | G385-R387 PolarHBondContact O-N 2.78Š|
| 388 | G | 31.7 | Very low | 34.6 | Very low | 56 Ų | 56 | 132.9 Ų | 132.9 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | | | trans | -65.4 | 172.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P386 | P386-G388 PolarHBondContact O-N 3.05Š|
| 389 | P | 42.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -77.5 | 132.7 | -167.8 | 30.1 | -32.6 | 0 | 0 | 0 | 111.9 | | |
| 390 | S | 37.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -116.1 | 106.7 | 176.9 | 43.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 391 | V | 28.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -57.7 | 148.6 | 159.6 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 392 | P | 42.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | | -156 | -165.6 | 69.8 | 42.8 | -19.2 | 0 | 0 | 0 | 115.1 | | |
| 393 | P | 36.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | cis | -129.8 | -177.6 | -1.4 | 34.2 | -10.8 | 0 | 0 | 0 | 115.3 | | |
| 394 | P | 35 | Very low | 35.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -105.8 | 171 | -165.9 | 40.1 | -31 | 0 | 0 | 0 | 115.6 | | |
| 395 | S | 32 | Very low | 35.4 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | 76.8 | 130.6 | 158.9 | -48.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 396 | D | 36.5 | Very low | 35.8 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | cis | -143.5 | 134.3 | 47.9 | -91.4 | -49.9 | 0 | 0 | 0 | 114.8 | | |
| 397 | G | 27.2 | Very low | 35.9 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 39.3 | 118.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 398 | G | 29.4 | Very low | 36.3 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 164.2 | 78.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 399 | Y | 35.7 | Very low | 36.2 | Very low | 231 Ų | 231 | 122.7 Ų | 122.7 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | 48.8 | 106 | 158.5 | -67.8 | -86.6 | 0 | 0 | 0 | 119.4 | E401 | Y399-E401 PolarHBondContact O-N 3.39Š|
| 400 | V | 36.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -50.6 | 97.7 | 147.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 401 | E | 38.8 | Very low | 35.2 | Very low | 183 Ų | 183 | 124.2 Ų | 124.2 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | -107 | 92.5 | 153.4 | -157.1 | 168.4 | -174 | 0 | 0 | 105.5 | Y399 | Y399-E401 PolarHBondContact O-N 3.39Š|
| 402 | G | 29.5 | Very low | 35.4 | Very low | 53 Ų | 53 | 123.2 Ų | 123.2 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 130.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 403 | P | 42.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136 | 172.6 | 22.1 | -30.9 | 0 | 0 | 0 | 108.7 | | |
| 404 | P | 38.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 146.3 | 175.5 | 21.9 | -32 | 0 | 0 | 0 | 110.2 | | |
| 405 | A | 38.3 | Very low | 34.4 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 137.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 406 | P | 40 | Very low | 34.3 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145.3 | 171.6 | 24.3 | -32.3 | 0 | 0 | 0 | 109.1 | | |
| 407 | P | 42.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -52.3 | 150.6 | 171.8 | 23.3 | -32.7 | 0 | 0 | 0 | 109.7 | N409 | P407-N409 PolarHBondContact O-N 3.22Š|
| 408 | P | 40.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 122.1 | -172.5 | 17.3 | -30.4 | 0 | 0 | 0 | 110.5 | Y410 | P408-Y410 PolarHBondContact O-N 2.9Š|
| 409 | N | 30.2 | Very low | 33.9 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | -60.9 | 81.3 | 172.3 | -165 | 7.2 | 0 | 0 | 0 | 108.8 | P407 N411 | P407-N409 PolarHBondContact O-N 3.22Å; N409-N411 PolarHBondContact O-N 3.26Å; N409-N411 VanDerWaalsContact O-N 3.14Å; N409-N411 WeakPolarHBondContact OD1-CB 3.47Å; N409-N411 PolarHBondContact OD1-N 3.4Å; N409-N411 VanDerWaalsContact OD1-N 3.14Å |
| 410 | Y | 32.7 | Very low | 33.5 | Very low | 221 Ų | 221 | 124.5 Ų | 124.5 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | -79.8 | 69.4 | 146.3 | -102.8 | -84.8 | 0 | 0 | 0 | 107.3 | P408 P412 | P408-Y410 PolarHBondContact O-N 2.9Å; Y410-P412 WeakPolarHBondContact O-CD 3.5Å |
| 411 | N | 27.8 | Very low | 33.6 | Very low | 67 Ų | 67 | 123 Ų | 123 | 36% | 0.358 | 73% | 0.726 | S | S | . | * | | | trans | -39.8 | 113.1 | 133.6 | -148.7 | 3 | 0 | 0 | 0 | 106.3 | N409 S413 M414 | N409-N411 PolarHBondContact O-N 3.26Å; N409-N411 VanDerWaalsContact O-N 3.14Å; N409-N411 WeakPolarHBondContact OD1-CB 3.47Å; N409-N411 PolarHBondContact OD1-N 3.4Å; N409-N411 VanDerWaalsContact OD1-N 3.14Å; N411-S413 VanDerWaalsContact C-N 3.26Å; N411-S413 PolarHBondContact O-N 3.24Å; N411-S413 VanDerWaalsContact O-N 3.09Å; N411-M414 WeakPolarHBondContact OD1-CB 3.47Å; N411-M414 WeakPolarHBondContact OD1-CG 3.3Å; N411-M414 PolarHBondContact OD1-N 3.09Å; N411-M414 VanDerWaalsContact OD1-N 3.15Å |
| 412 | P | 30.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | trans | -55.7 | 114.1 | 135.2 | 27.1 | -28.3 | 0 | 0 | 0 | 104 | Y410 M414 | Y410-P412 WeakPolarHBondContact O-CD 3.5Å; P412-M414 PolarHBondContact O-N 3.02Å |
| 413 | S | 36.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | trans | -26.9 | 94.2 | 179.1 | -34.9 | 0 | 0 | 0 | 0 | 111.5 | N411 G415 | N411-S413 VanDerWaalsContact C-N 3.26Å; N411-S413 PolarHBondContact O-N 3.24Å; N411-S413 VanDerWaalsContact O-N 3.09Å; S413-G415 PolarHBondContact O-N 3.43Å |
| 414 | M | 29.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | | | trans | -72.8 | 71.9 | 161.5 | -80.3 | -91 | -78.5 | 0 | 0 | 106.2 | N411 P412 | N411-M414 WeakPolarHBondContact OD1-CB 3.47Å; N411-M414 WeakPolarHBondContact OD1-CG 3.3Å; N411-M414 PolarHBondContact OD1-N 3.09Å; N411-M414 VanDerWaalsContact OD1-N 3.15Å; P412-M414 PolarHBondContact O-N 3.02Å |
| 415 | G | 27.8 | Very low | 31.6 | Very low | 49 Ų | 49 | 124.4 Ų | 124.4 | 51% | 0.505 | 73% | 0.725 | S | S | . | * | | | trans | -152.4 | 86.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | S413 | S413-G415 PolarHBondContact O-N 3.43Š|
| 416 | Q | 29.4 | Very low | 31.4 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 86.4 | 118.5 | 149.6 | -50.6 | -162.9 | -2.4 | 0 | 0 | 118.8 | | |
| 417 | G | 27 | Very low | 30.8 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 92.4 | 87.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 418 | Q | 26.9 | Very low | 30.7 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | S | Bend | | 41.8 | 124.3 | 51.7 | -75.7 | -73.5 | -10.8 | 0 | 0 | 112.2 | F420 | Q418-F420 VanDerWaalsContact C-N 3.3Å; Q418-F420 HydrophobicContact CB-CD2 3.82Å; Q418-F420 HydrophobicContact CB-CE2 4.09Å; Q418-F420 HydrophobicContact CG-CE2 4.46Å; Q418-F420 PolarHBondContact O-N 2.85Å |
| 419 | P | 30.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -72.8 | 91.8 | 173.1 | 31.9 | -29.2 | 0 | 0 | 0 | 106.9 | | |
| 420 | F | 27 | Very low | 30.8 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | | | trans | -129.9 | 136.9 | 164 | -72.2 | -69.2 | 0 | 0 | 0 | 109.9 | Q418 | Q418-F420 VanDerWaalsContact C-N 3.3Å; Q418-F420 HydrophobicContact CB-CD2 3.82Å; Q418-F420 HydrophobicContact CB-CE2 4.09Å; Q418-F420 HydrophobicContact CG-CE2 4.46Å; Q418-F420 PolarHBondContact O-N 2.85Å |
| 421 | P | 38.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | | -92.3 | 148.1 | -126.7 | 33.4 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 422 | C | 27.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | -109.7 | 107.5 | 143.8 | -67.4 | 0 | 0 | 0 | 0 | 105.4 | Y424 | C422-Y424 HydrophobicContact CB-CD2 4.01Å; C422-Y424 HydrophobicContact CB-CE2 4.18Å; C422-Y424 PolarHBondContact O-N 3.4Å |
| 423 | G | 23.9 | Very low | 31.9 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | -54.6 | 111.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 424 | Y | 29 | Very low | 31.9 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | | | trans | -133.9 | 99.8 | 153.8 | -80.1 | -76.1 | 0 | 0 | 0 | 106.6 | C422 I426 | C422-Y424 HydrophobicContact CB-CD2 4.01Å; C422-Y424 HydrophobicContact CB-CE2 4.18Å; C422-Y424 PolarHBondContact O-N 3.4Å; Y424-I426 PolarHBondContact O-N 3.37Å |
| 425 | D | 27.2 | Very low | 31.9 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | -31.1 | 104.3 | 147 | -136.4 | -60.6 | 0 | 0 | 0 | 109.4 | N427 | D425-N427 PolarHBondContact OD1-ND2 3.17Š|
| 426 | I | 33 | Very low | 32.2 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | | | trans | -114.5 | 72.5 | 158.2 | -56.9 | 177.5 | 0 | 0 | 0 | 106.4 | Y424 | Y424-I426 PolarHBondContact O-N 3.37Š|
| 427 | N | 27.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | | | trans | -49.8 | 138.7 | 143.2 | -111.5 | -60.6 | 0 | 0 | 0 | 110.7 | D425 | D425-N427 PolarHBondContact OD1-ND2 3.17Š|
| 428 | V | 42.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 134 Ų | 134 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 74.1 | 24.1 | 150.8 | -123.8 | 0 | 0 | 0 | 0 | 123.8 | A431 | V428-A431 HydrophobicContact CG1-CB 3.99Š|
| 429 | Q | 35.9 | Very low | 32.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -119.4 | -22.6 | 164.1 | -88.2 | 176.9 | -1.2 | 0 | 0 | 116.9 | A431 M432 | Q429-A431 PolarHBondContact O-N 3.01Å; Q429-M432 PolarHBondContact O-N 3.32Å |
| 430 | Q | 36.6 | Very low | 32.8 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -75.4 | -9.9 | 161.2 | -117.9 | 167.3 | 1 | 0 | 0 | 112.7 | M432 | Q430-M432 PolarHBondContact O-N 3.23Š|
| 431 | A | 34.2 | Very low | 33.1 | Very low | 57 Ų | 57 | 136.7 Ų | 136.7 | 47% | 0.471 | 75% | 0.751 | S | S | . | * | G | 310 helix | trans | -73.7 | -4.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V428 Q429 | V428-A431 HydrophobicContact CG1-CB 3.99Å; Q429-A431 PolarHBondContact O-N 3.01Å |
| 432 | M | 41.4 | Very low | 32.7 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -101.5 | 4.6 | -178.5 | -72.5 | -68 | -83 | 0 | 0 | 115.4 | Q429 Q430 | Q429-M432 PolarHBondContact O-N 3.32Å; Q430-M432 PolarHBondContact O-N 3.23Å |
| 433 | H | 38.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -106.8 | -6.1 | 173.8 | -86.2 | -93.2 | 0 | 0 | 0 | 115.2 | | |
| 434 | F | 36.4 | Very low | 33.7 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -141.4 | 42.9 | -175.7 | -86.7 | -80.7 | 0 | 0 | 0 | 115 | | |
| 435 | A | 28.9 | Very low | 34 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -120.9 | 43.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 436 | M | 33 | Very low | 34.1 | Very low | 179 Ų | 179 | 143 Ų | 143 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -149.7 | 106.5 | 159.7 | -76.3 | -161.3 | -100.9 | 0 | 0 | 110.5 | | |
| 437 | S | 29.2 | Very low | 33.7 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | | | trans | 15.2 | 102.4 | 156.3 | 172.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 438 | S | 30 | Very low | 33.8 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | | -159.9 | 119.8 | 128.1 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 439 | R | 32.1 | Very low | 33.2 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -50.7 | 136.7 | 169.7 | -75.8 | 175.2 | 169.2 | -142.8 | -2.2 | 108.8 | | |
| 440 | P | 36.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -55.8 | 131.8 | 162.3 | 24.3 | -31 | 0 | 0 | 0 | 107.8 | G442 | P440-G442 PolarHBondContact O-N 3.47Š|
| 441 | P | 33.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | -63.2 | 109.1 | 177 | -14.5 | 27.3 | 0 | 0 | 0 | 107.9 | | |
| 442 | G | 28.5 | Very low | 31.9 | Very low | 52 Ų | 52 | 141.3 Ų | 141.3 | 54% | 0.536 | 78% | 0.778 | S | S | . | * | | | trans | -56.5 | 151.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P440 R444 | P440-G442 PolarHBondContact O-N 3.47Å; G442-R444 PolarHBondContact O-N 3.06Å |
| 443 | P | 43.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -53.4 | 114.3 | 178.8 | 21 | -31 | 0 | 0 | 0 | 109.6 | F445 | P443-F445 HydrophobicContact CG-CE2 4.47Å; P443-F445 PolarHBondContact O-N 3.36Å |
| 444 | R | 29.8 | Very low | 30.4 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | -66.8 | 101.2 | 166.1 | -76.1 | -174.5 | 175.9 | -171 | -0.7 | 106.6 | G442 M446 | G442-R444 PolarHBondContact O-N 3.06Å; R444-M446 PolarHBondContact O-N 3.23Å |
| 445 | F | 36.1 | Very low | 30 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -68.5 | 95 | 157.6 | -75.8 | -80.3 | 0 | 0 | 0 | 107 | P443 S447 | P443-F445 HydrophobicContact CG-CE2 4.47Å; P443-F445 PolarHBondContact O-N 3.36Å; F445-S447 PolarHBondContact O-N 3.34Å; F445-S447 VanDerWaalsContact O-N 3.1Å |
| 446 | M | 29.1 | Very low | 30 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -57.7 | 111.4 | 159.1 | -75.5 | 167.5 | 59.5 | 0 | 0 | 106.9 | R444 N448 | R444-M446 PolarHBondContact O-N 3.23Å; M446-N448 PolarHBondContact O-N 3.48Å |
| 447 | S | 24 | Very low | 29.7 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -50.2 | 101.9 | 158.1 | 146.5 | 0 | 0 | 0 | 0 | 108.5 | F445 | F445-S447 PolarHBondContact O-N 3.34Å; F445-S447 VanDerWaalsContact O-N 3.1Å |
| 448 | N | 30.3 | Very low | 29.5 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -110.3 | 87.5 | 151.7 | -92.9 | 10.5 | 0 | 0 | 0 | 107.2 | M446 G450 | M446-N448 PolarHBondContact O-N 3.48Å; N448-G450 PolarHBondContact O-N 2.8Å |
| 449 | V | 28.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | trans | -61.2 | 111.3 | 149.3 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | F451 | V449-F451 HydrophobicContact CG1-CD2 3.69Å; V449-F451 HydrophobicContact CG1-CE2 4.24Å |
| 450 | G | 26.7 | Very low | 29.1 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -132.2 | 79.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | N448 S452 | N448-G450 PolarHBondContact O-N 2.8Å; G450-S452 PolarHBondContact O-N 3.01Å |
| 451 | F | 23.4 | Very low | 28.6 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | | | trans | -55.7 | 121.5 | 161.3 | -90.5 | -94.6 | 0 | 0 | 0 | 108.1 | V449 | V449-F451 HydrophobicContact CG1-CD2 3.69Å; V449-F451 HydrophobicContact CG1-CE2 4.24Å |
| 452 | S | 28.7 | Very low | 28.1 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | | | trans | -120.6 | 82.7 | 142.6 | 52.6 | 0 | 0 | 0 | 0 | 107.4 | G450 | G450-S452 PolarHBondContact O-N 3.01Š|
| 453 | A | 25.4 | Very low | 27.9 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | | | trans | -55.2 | 145.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108 | A455 | A453-A455 PolarHBondContact O-N 3.06Š|
| 454 | S | 25 | Very low | 27.2 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -54.5 | 132.7 | 175.7 | 73.8 | 0 | 0 | 0 | 0 | 108.8 | D456 | S454-D456 PolarHBondContact O-N 2.88Š|
| 455 | A | 27.5 | Very low | 27 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -74.8 | 42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A453 T457 | A453-A455 PolarHBondContact O-N 3.06Å; A455-T457 PolarHBondContact O-N 2.92Å |
| 456 | D | 28.1 | Very low | 26.6 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -82.5 | 108.2 | 153 | -75.2 | -45.8 | 0 | 0 | 0 | 105.4 | S454 | S454-D456 PolarHBondContact O-N 2.88Š|
| 457 | T | 28 | Very low | 26.6 | Very low | 138 Ų | 138 | 120 Ų | 120 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 89.8 | 59 | 177.9 | -5.7 | 0 | 0 | 0 | 0 | 117.3 | A455 | A455-T457 PolarHBondContact O-N 2.92Š|
| 458 | A | 25.2 | Very low | 26.9 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | -134.2 | 84.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | A460 | A458-A460 PolarHBondContact O-N 3.09Š|
| 459 | T | 26.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 125 Ų | 125 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -53.5 | 99.7 | 160.8 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 460 | A | 25.8 | Very low | 26.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | 172.7 | 73.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110 | A458 | A458-A460 PolarHBondContact O-N 3.09Š|
| 461 | V | 26.5 | Very low | 26.7 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -132.7 | 81.2 | 158.8 | -169.6 | 0 | 0 | 0 | 0 | 109 | | |
| 462 | V | 22.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -89.2 | 138 | 147.4 | 157.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 463 | M | 24.4 | Very low | 27 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | 66.4 | 108.7 | 163.6 | -65.2 | 161.5 | -160.1 | 0 | 0 | 116.6 | | |
| 464 | M | 29.2 | Very low | 27.1 | Very low | 180 Ų | 180 | 129 Ų | 129 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | | 179.9 | 137.9 | 92.3 | -85.8 | -59.5 | -112 | 0 | 0 | 110 | | |
| 465 | A | 25.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -57.2 | 154.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 466 | G | 28.1 | Very low | 27.4 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | 155.6 | 92.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 467 | D | 30.1 | Very low | 27.6 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | 57.4 | 79.4 | 147.4 | -59.5 | -48 | 0 | 0 | 0 | 119.6 | | |
| 468 | R | 28.7 | Very low | 27.8 | Very low | 240 Ų | 240 | 126.8 Ų | 126.8 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | | | trans | -131.9 | 141.2 | 139.9 | -111.9 | -170.7 | 168.4 | -169.5 | -2.9 | 109.5 | Q470 | R468-Q470 PolarHBondContact O-N 2.76Š|
| 469 | P | 27.1 | Very low | 28 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.2 | -166 | 27.2 | -33.1 | 0 | 0 | 0 | 111.9 | F471 | P469-F471 PolarHBondContact O-N 3.25Š|
| 470 | Q | 25.7 | Very low | 27.8 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 116.8 | 164 | -76.3 | 163.9 | -19.8 | 0 | 0 | 109.7 | R468 | R468-Q470 PolarHBondContact O-N 2.76Š|
| 471 | F | 29.7 | Very low | 27.9 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -93 | 150.2 | 150.7 | -94.6 | -87.5 | 0 | 0 | 0 | 108.2 | P469 | P469-F471 PolarHBondContact O-N 3.25Š|
| 472 | P | 30.8 | Very low | 28 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.4 | -152.7 | 28.7 | -33.2 | 0 | 0 | 0 | 112.7 | | |
| 473 | A | 27.8 | Very low | 28.3 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 474 | G | 26.6 | Very low | 28.6 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | | | trans | 158.3 | 140.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 475 | P | 32.9 | Very low | 28.3 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | | | cis | -100 | 122 | -13.3 | 33.2 | -20 | 0 | 0 | 0 | 110.7 | V477 | P475-V477 HydrophobicContact CB-CG2 4.29Å; P475-V477 PolarHBondContact O-N 3.47Å |
| 476 | E | 26.2 | Very low | 28.4 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | | | trans | -81.3 | 101.8 | 164.8 | -165.1 | 177.6 | 179.1 | 0 | 0 | 106.4 | | |
| 477 | V | 33.4 | Very low | 28.4 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | | | trans | -94.5 | 111.6 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | P475 | P475-V477 HydrophobicContact CB-CG2 4.29Å; P475-V477 PolarHBondContact O-N 3.47Å |
| 478 | A | 31.3 | Very low | 28.1 | Very low | 21 Ų | 21 | 124.3 Ų | 124.3 | 17% | 0.174 | 71% | 0.712 | C | S | . | * | | | trans | -95.6 | -172.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q506 A507 E508 | A478-Q506 HydrophobicContact CB-CG 3.63Å; A478-A507 VanDerWaalsContact C-CB 3.48Å; A478-A507 CarbonylContact O-C 3.19Å; A478-A507 WeakPolarHBondContact O-CA 3.42Å; A478-A507 WeakPolarHBondContact O-CB 3.3Å; A478-E508 VanDerWaalsContact C-OE1 3.27Å; A478-E508 VanDerWaalsContact O-CG 3.25Å; A478-E508 WeakPolarHBondContact O-CG 3.45Å; A478-E508 PolarHBondContact O-N 3.28Å |
| 479 | P | 28.7 | Very low | 28.1 | Very low | 80 Ų | 80 | 116.9 Ų | 116.9 | 52% | 0.519 | 70% | 0.702 | S | S | . | * | | | trans | -71.1 | 139 | -163.5 | -13.2 | 22.1 | 0 | 0 | 0 | 130.3 | A507 E508 | P479-A507 CarbonylContact O-C 3.52Å; P479-A507 WeakPolarHBondContact O-CB 3.34Å; P479-E508 WeakPolarHBondContact CA-OE2 3.33Å; P479-E508 HydrophobicContact CB-CB 4.24Å; P479-E508 HydrophobicContact CB-CG 4.21Å; P479-E508 WeakPolarHBondContact CB-OE2 3.3Å; P479-E508 VanDerWaalsContact CD-CD 3.42Å; P479-E508 WeakPolarHBondContact CD-OE1 3.4Å; P479-E508 HydrophobicContact CG-CG 4.48Å; P479-E508 VanDerWaalsContact CG-OE1 3.26Å; P479-E508 WeakPolarHBondContact CG-OE1 3.04Å; P479-E508 WeakPolarHBondContact CG-OE2 3.35Å; P479-E508 VanDerWaalsContact N-OE1 3.13Å |
| 480 | C | 23.2 | Very low | 28.2 | Very low | 34 Ų | 34 | 117.8 Ų | 117.8 | 23% | 0.23 | 71% | 0.705 | C | S | . | * | | | trans | -20.9 | 142.5 | -161.9 | -137.6 | 0 | 0 | 0 | 0 | 117.5 | A507 E508 M509 | C480-A507 CarbonylContact C-O 3.59Å; C480-A507 WeakPolarHBondContact CA-O 3.21Å; C480-A507 PolarHBondContact N-O 3.46Å; C480-E508 VanDerWaalsContact CA-O 3.31Å; C480-E508 WeakPolarHBondContact CA-O 3.01Å; C480-E508 WeakPolarHBondContact CB-O 3.31Å; C480-E508 VanDerWaalsContact N-CB 3.32Å; C480-E508 PolarHBondContact SG-O 3.3Å; C480-M509 HydrophobicContact CB-CB 4.34Å; C480-M509 WeakPolarHBondContact CB-O 3.14Å; C480-M509 PolarHBondContact SG-N 2.79Å; C480-M509 PolarHBondContact SG-O 2.89Å |
| 481 | E | 27.7 | Very low | 28.1 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | | | | -148.4 | 138.8 | 109 | -77.7 | -133.9 | 148.3 | 0 | 0 | 113.6 | A507 | E481-A507 PolarHBondContact N-O 2.81Š|
| 482 | P | 28.6 | Very low | 28 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 62% | 0.617 | 70% | 0.701 | S | S | * | * | | | trans | -95.4 | 179.5 | 177.4 | 33.9 | -22.8 | 0 | 0 | 0 | 112.7 | | |
| 483 | V | 30 | Very low | 27.8 | Very low | 134 Ų | 134 | 113.4 Ų | 113.4 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | | | trans | 105.6 | 140 | 161.7 | -171.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 484 | P | 30.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 118 Ų | 118 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | | | cis | -140 | 167.1 | -43.4 | 39.1 | -20.1 | 0 | 0 | 0 | 114.1 | | |
| 485 | Y | 22.9 | Very low | 27.6 | Very low | 240 Ų | 240 | 118.8 Ų | 118.8 | 94% | 0.941 | 71% | 0.706 | S | S | * | * | | | trans | 37.1 | 112.7 | 146.9 | -80.3 | -96.1 | 0 | 0 | 0 | 121.2 | | |
| 486 | G | 25.7 | Very low | 27.1 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -160.8 | 131.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 487 | P | 28.9 | Very low | 27 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | | | trans | -97.3 | 151.8 | -156.1 | 37.5 | -34.8 | 0 | 0 | 0 | 115.7 | | |
| 488 | V | 24.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | | | trans | 22.1 | 123.6 | 136.3 | -167.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 489 | A | 28.2 | Very low | 26.2 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | | | trans | -174.6 | 106.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 490 | T | 29.8 | Very low | 26 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | | 61.6 | 112.5 | 98.2 | 40.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 491 | D | 22.2 | Very low | 26.1 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | | 86.2 | 136.4 | 120.6 | -151.5 | 27.7 | 0 | 0 | 0 | 120.2 | | |
| 492 | E | 28.3 | Very low | 26.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 64.6 | 136.1 | 166.6 | -50.1 | -142.4 | 146.3 | 0 | 0 | 121.2 | | |
| 493 | G | 25.9 | Very low | 26 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 133.1 | 93.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 494 | H | 27.6 | Very low | 26 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | | | trans | -52.5 | 150.4 | 169.5 | -70.6 | -80.2 | 0 | 0 | 0 | 114.8 | | |
| 495 | A | 24 | Very low | 25.8 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | 79.1 | 116.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 496 | L | 22.3 | Very low | 25.9 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | 73.8 | 119.1 | 141.3 | -98.5 | 93.9 | 0 | 0 | 0 | 119.1 | | |
| 497 | R | 24.3 | Very low | 26.2 | Very low | 223 Ų | 223 | 133.7 Ų | 133.7 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | | | | 122.5 | 111.2 | 118.6 | -141.3 | -172 | 168.6 | -164.8 | -2.8 | 114.1 | | |
| 498 | N | 23 | Very low | 26.1 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | 88.7 | 124.9 | 138.2 | -136.6 | 0.3 | 0 | 0 | 0 | 120.8 | | |
| 499 | S | 24.7 | Very low | 26.2 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | 56.3 | 118.1 | 137.1 | -76.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 500 | G | 24 | Very low | 26.2 | Very low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | | | | 114.4 | 106.7 | 105.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 501 | Y | 24.7 | Very low | 26 | Very low | 240 Ų | 240 | 132.8 Ų | 132.8 | 94% | 0.941 | 73% | 0.726 | S | S | * | * | | | trans | 51.8 | 116.7 | 140.5 | -65.5 | -86.5 | 0 | 0 | 0 | 120 | | |
| 502 | A | 31.5 | Very low | 26.4 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | | -162.5 | 123.6 | 120.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 503 | V | 23.2 | Very low | 26.2 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | trans | -88.7 | 123.3 | 170.5 | 168.4 | 0 | 0 | 0 | 0 | 108 | | |
| 504 | Y | 29.9 | Very low | 26.9 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | | | trans | -138.6 | 110 | 159 | -91.7 | -83.2 | 0 | 0 | 0 | 109.8 | | |
| 505 | Q | 27.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | 29.4 | 114.7 | 139.6 | -67.9 | 166.3 | 29.7 | 0 | 0 | 117.8 | | |
| 506 | Q | 24.3 | Very low | 27.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | | | | 63.8 | 113 | 81.5 | -155.3 | 168.3 | 11.2 | 0 | 0 | 108 | A478 | A478-Q506 HydrophobicContact CB-CG 3.63Š|
| 507 | A | 32 | Very low | 27.6 | Very low | 39 Ų | 39 | 127 Ų | 127 | 32% | 0.322 | 73% | 0.727 | S | S | . | * | | | | -175.8 | 163.7 | 58.3 | 0 | 0 | 0 | 0 | 0 | 114 | A478 P479 C480 E481 | A478-A507 VanDerWaalsContact C-CB 3.48Å; A478-A507 CarbonylContact O-C 3.19Å; A478-A507 WeakPolarHBondContact O-CA 3.42Å; A478-A507 WeakPolarHBondContact O-CB 3.3Å; P479-A507 CarbonylContact O-C 3.52Å; P479-A507 WeakPolarHBondContact O-CB 3.34Å; C480-A507 CarbonylContact C-O 3.59Å; C480-A507 WeakPolarHBondContact CA-O 3.21Å; C480-A507 PolarHBondContact N-O 3.46Å; E481-A507 PolarHBondContact N-O 2.81Å |
| 508 | E | 26.1 | Very low | 28.1 | Very low | 93 Ų | 93 | 120 Ų | 120 | 44% | 0.435 | 72% | 0.724 | S | S | . | * | | | trans | -31.8 | -112.7 | -170.4 | -46.5 | 134.8 | -165.4 | 0 | 0 | 126.1 | A478 P479 C480 | A478-E508 VanDerWaalsContact C-OE1 3.27Å; A478-E508 VanDerWaalsContact O-CG 3.25Å; A478-E508 WeakPolarHBondContact O-CG 3.45Å; A478-E508 PolarHBondContact O-N 3.28Å; P479-E508 WeakPolarHBondContact CA-OE2 3.33Å; P479-E508 HydrophobicContact CB-CB 4.24Å; P479-E508 HydrophobicContact CB-CG 4.21Å; P479-E508 WeakPolarHBondContact CB-OE2 3.3Å; P479-E508 VanDerWaalsContact CD-CD 3.42Å; P479-E508 WeakPolarHBondContact CD-OE1 3.4Å; P479-E508 HydrophobicContact CG-CG 4.48Å; P479-E508 VanDerWaalsContact CG-OE1 3.26Å; P479-E508 WeakPolarHBondContact CG-OE1 3.04Å; P479-E508 WeakPolarHBondContact CG-OE2 3.35Å; P479-E508 VanDerWaalsContact N-OE1 3.13Å; C480-E508 VanDerWaalsContact CA-O 3.31Å; C480-E508 WeakPolarHBondContact CA-O 3.01Å; C480-E508 WeakPolarHBondContact CB-O 3.31Å; C480-E508 VanDerWaalsContact N-CB 3.32Å; C480-E508 PolarHBondContact SG-O 3.3Å |
| 509 | M | 27.9 | Very low | 28.3 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | | | | -100 | 125.1 | -126.4 | -137.5 | 169.4 | -80.5 | 0 | 0 | 117.7 | C480 | C480-M509 HydrophobicContact CB-CB 4.34Å; C480-M509 WeakPolarHBondContact CB-O 3.14Å; C480-M509 PolarHBondContact SG-N 2.79Å; C480-M509 PolarHBondContact SG-O 2.89Å |
| 510 | G | 26.5 | Very low | 28.3 | Very low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | | 149.3 | 166.3 | 70.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 511 | D | 27.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | 92.9 | 146.9 | 169.8 | -136.1 | -17 | 0 | 0 | 0 | 118.9 | | |
| 512 | F | 29.5 | Very low | 29.2 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | | | trans | 101.5 | 106 | 179 | -75.1 | -86.5 | 0 | 0 | 0 | 120.2 | | |
| 513 | G | 25.3 | Very low | 29.2 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | | | trans | 165.6 | 98.3 | 135 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 514 | P | 40.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | | | trans | -122 | 138.4 | 146 | 35.4 | -24 | 0 | 0 | 0 | 111.1 | | |
| 515 | S | 31.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -173.7 | 133.8 | 152.1 | -92.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 516 | T | 30.5 | Very low | 29.3 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | | | trans | 35.3 | 123.8 | 147.1 | 36.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 517 | G | 25.6 | Very low | 29.2 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 73.8 | 126.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 518 | G | 35 | Very low | 29.3 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 83 | 135.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 519 | M | 27 | Very low | 29.3 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 23.9 | 105.6 | 162.5 | -59.5 | -179.1 | -156.4 | 0 | 0 | 117.8 | | |
| 520 | N | 25.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | 66.9 | 90.2 | 152.3 | -62.3 | -31.9 | 0 | 0 | 0 | 116 | V522 | N520-V522 PolarHBondContact O-N 3.31Š|
| 521 | K | 28.5 | Very low | 29.3 | Very low | 199 Ų | 199 | 131.3 Ų | 131.3 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | | | trans | -58 | 86.8 | 154.9 | -62.8 | -171.5 | 178.9 | -161.2 | 0 | 109 | S523 | K521-S523 PolarHBondContact O-N 3.03Š|
| 522 | V | 37.7 | Very low | 29.4 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -69.2 | 84.1 | 150.6 | -100.2 | 0 | 0 | 0 | 0 | 105.7 | N520 | N520-V522 PolarHBondContact O-N 3.31Š|
| 523 | S | 32.9 | Very low | 29.4 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 57% | 0.573 | 80% | 0.804 | S | S | * | * | | | trans | -92.4 | 131.6 | -175.2 | -147.2 | 0 | 0 | 0 | 0 | 108.3 | K521 | K521-S523 PolarHBondContact O-N 3.03Š|
| 524 | S | 26.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 15.3 | 132.6 | 130.7 | 62.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 525 | G | 29.3 | Very low | 28.8 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | 106.9 | 123.1 | 134.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 526 | Q | 27.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | 67 | 103.3 | 150.7 | -65.2 | 173.3 | -6.6 | 0 | 0 | 114.9 | P528 | Q526-P528 VanDerWaalsContact O-CD 3.27Å; Q526-P528 WeakPolarHBondContact O-CD 3.22Å |
| 527 | M | 22.5 | Very low | 28.7 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | | -53.8 | 124.6 | 129.6 | -70.3 | -134.7 | -66.5 | 0 | 0 | 107.5 | Q529 | M527-Q529 PolarHBondContact O-N 3.15Š|
| 528 | P | 33.9 | Very low | 29 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -66.5 | 93.6 | 143.4 | 21.9 | -13.3 | 0 | 0 | 0 | 105.9 | Q526 | Q526-P528 VanDerWaalsContact O-CD 3.27Å; Q526-P528 WeakPolarHBondContact O-CD 3.22Å |
| 529 | Q | 25.8 | Very low | 29 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -32.6 | 137.6 | 148.1 | -162.4 | 179.9 | 35.4 | 0 | 0 | 110 | M527 S531 | M527-Q529 PolarHBondContact O-N 3.15Å; Q529-S531 PolarHBondContact O-N 2.81Å |
| 530 | A | 25.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -44 | 134.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 531 | S | 29.2 | Very low | 29.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -165.6 | 128.1 | 140.1 | -156.1 | 0 | 0 | 0 | 0 | 111.9 | Q529 | Q529-S531 PolarHBondContact O-N 2.81Š|
| 532 | G | 29.2 | Very low | 29.5 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | 95.3 | 70.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 533 | K | 29.7 | Very low | 29 | Very low | 216 Ų | 216 | 129.5 Ų | 129.5 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | | 36.5 | 106.6 | 95.4 | -83.7 | -174.1 | 175.4 | 178 | 0 | 115 | | |
| 534 | G | 24.4 | Very low | 28.7 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | 92.2 | 106.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 535 | G | 28.2 | Very low | 28.7 | Very low | 58 Ų | 58 | 136.8 Ų | 136.8 | 60% | 0.598 | 81% | 0.806 | S | S | * | * | | | trans | -160.5 | 69.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y537 | G535-Y537 PolarHBondContact O-N 3.24Š|
| 536 | G | 26 | Very low | 29 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | -67.6 | 124.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I538 | G536-I538 PolarHBondContact O-N 3.19Š|
| 537 | Y | 33.4 | Very low | 29 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | 105.7 | 172.4 | -60.7 | -83.9 | 0 | 0 | 0 | 108.8 | G535 A539 | G535-Y537 PolarHBondContact O-N 3.24Å; Y537-A539 PolarHBondContact O-N 3.41Å |
| 538 | I | 31.6 | Very low | 29 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -73.3 | 116.3 | 169.4 | -55.7 | 168 | 0 | 0 | 0 | 106.6 | G536 Q540 | G536-I538 PolarHBondContact O-N 3.19Å; I538-Q540 PolarHBondContact O-N 3.42Å; I538-Q540 VanDerWaalsContact O-N 3.08Å |
| 539 | A | 36 | Very low | 28.5 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -72.6 | 95.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y537 | Y537-A539 PolarHBondContact O-N 3.41Š|
| 540 | Q | 30.3 | Very low | 29.1 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -81.7 | 127.3 | 176.2 | -163.9 | 169.9 | -11.8 | 0 | 0 | 109.3 | I538 | I538-Q540 PolarHBondContact O-N 3.42Å; I538-Q540 VanDerWaalsContact O-N 3.08Å |
| 541 | G | 30.4 | Very low | 29.2 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | -60.1 | 146.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D543 | G541-D543 PolarHBondContact O-N 3.06Š|
| 542 | F | 29.6 | Very low | 29 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -74.7 | 113.6 | 171.5 | -72.4 | -94.3 | 0 | 0 | 0 | 109.4 | | |
| 543 | D | 27.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -90.7 | 116.7 | 166.8 | -153.4 | -52.3 | 0 | 0 | 0 | 107.8 | G541 | G541-D543 PolarHBondContact O-N 3.06Š|
| 544 | F | 28.4 | Very low | 29.4 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | -96.2 | 85.5 | 177 | -97.1 | -87.1 | 0 | 0 | 0 | 108.9 | L546 | F544-L546 HydrophobicContact CD1-CD1 4.06Å; F544-L546 HydrophobicContact CE1-CD1 4.26Å; F544-L546 PolarHBondContact O-N 2.93Å |
| 545 | E | 24.5 | Very low | 29.5 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -83.2 | 84.9 | 157.8 | -76.2 | -166.3 | 112.8 | 0 | 0 | 109 | | |
| 546 | L | 36.8 | Very low | 29.4 | Very low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -103 | 109.2 | 160.5 | -91.6 | 167.9 | 0 | 0 | 0 | 109.2 | F544 | F544-L546 HydrophobicContact CD1-CD1 4.06Å; F544-L546 HydrophobicContact CE1-CD1 4.26Å; F544-L546 PolarHBondContact O-N 2.93Å |
| 547 | Q | 27.3 | Very low | 29.7 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -93.4 | 117.7 | -172.3 | -164.3 | 146.1 | 39.5 | 0 | 0 | 110.7 | | |
| 548 | G | 21.4 | Very low | 29.3 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | 75.9 | 102.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 549 | G | 24.9 | Very low | 29.4 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 170.7 | 121.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 550 | P | 36.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -94.1 | 121.6 | -171.3 | 34.7 | -27.8 | 0 | 0 | 0 | 111.3 | | |
| 551 | S | 27.8 | Very low | 28.8 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 165.8 | 123.7 | 139.8 | -78.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 552 | Q | 25.8 | Very low | 29 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | 66.2 | 92.9 | 153.4 | -60.9 | -174.4 | -3.3 | 0 | 0 | 117.8 | | |
| 553 | G | 27.5 | Very low | 29.1 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | -65.1 | 145.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S555 | G553-S555 PolarHBondContact O-N 3.23Š|
| 554 | P | 39 | Very low | 29.4 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 116 | 171.1 | 28.9 | -29.9 | 0 | 0 | 0 | 108.8 | | |
| 555 | S | 26.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -85.8 | 145.8 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | G553 | G553-S555 PolarHBondContact O-N 3.23Š|
| 556 | M | 25.8 | Very low | 29.6 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | | | trans | 118.7 | 153.5 | 161.4 | -66.4 | -88.4 | -85.2 | 0 | 0 | 115.6 | | |
| 557 | P | 32.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -124.9 | 155.7 | -17 | 28.7 | -8.7 | 0 | 0 | 0 | 113.9 | V559 | P557-V559 PolarHBondContact O-N 3.39Š|
| 558 | M | 25.2 | Very low | 29.3 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | | | trans | -69.3 | 110.2 | 177.7 | -63.9 | 179.4 | -64.1 | 0 | 0 | 111.9 | | |
| 559 | V | 33.7 | Very low | 29.8 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | -84.4 | 121.1 | 170.7 | -171 | 0 | 0 | 0 | 0 | 109.4 | P557 N561 | P557-V559 PolarHBondContact O-N 3.39Å; V559-N561 PolarHBondContact O-N 3.24Å |
| 560 | N | 25.8 | Very low | 30.1 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -74.6 | 108.3 | -176.8 | -176 | 2 | 0 | 0 | 0 | 110.9 | T562 | N560-T562 PolarHBondContact O-N 2.75Š|
| 561 | N | 29.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -71 | 97 | 177.3 | -89 | -6.2 | 0 | 0 | 0 | 111.3 | V559 F563 | V559-N561 PolarHBondContact O-N 3.24Å; N561-F563 PolarHBondContact O-N 3.42Å |
| 562 | T | 34.4 | Very low | 30 | Very low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | -80.7 | 111 | 165.5 | -60.8 | 0 | 0 | 0 | 0 | 108.4 | N560 V564 | N560-T562 PolarHBondContact O-N 2.75Å; T562-V564 PolarHBondContact O-N 2.96Å |
| 563 | F | 32.2 | Very low | 30.4 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -65.7 | 109.6 | 177.5 | -80.1 | -99 | 0 | 0 | 0 | 110.8 | N561 N565 | N561-F563 PolarHBondContact O-N 3.42Å; F563-N565 PolarHBondContact O-N 3.29Å |
| 564 | V | 31.6 | Very low | 30.4 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -78.8 | 105 | 163.3 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | T562 A566 | T562-V564 PolarHBondContact O-N 2.96Å; V564-A566 PolarHBondContact O-N 3.44Å |
| 565 | N | 26.1 | Very low | 30.1 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | trans | -77.7 | 93 | 174.5 | -176.2 | 15 | 0 | 0 | 0 | 109.3 | F563 T567 | F563-N565 PolarHBondContact O-N 3.29Å; N565-T567 PolarHBondContact O-N 3.16Å |
| 566 | A | 31.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -88.9 | 78.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | V564 M568 | V564-A566 PolarHBondContact O-N 3.44Å; A566-M568 PolarHBondContact O-N 3.31Å; A566-M568 VanDerWaalsContact O-N 3.1Å |
| 567 | T | 30.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -67.3 | 93.6 | 160.7 | 25.2 | 0 | 0 | 0 | 0 | 109.2 | N565 | N565-T567 PolarHBondContact O-N 3.16Š|
| 568 | M | 27.6 | Very low | 30.4 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -92.2 | 111.8 | 156.4 | -72.6 | -136 | -61 | 0 | 0 | 108.2 | A566 I570 | A566-M568 PolarHBondContact O-N 3.31Å; A566-M568 VanDerWaalsContact O-N 3.1Å; M568-I570 PolarHBondContact O-N 3.36Å; M568-I570 VanDerWaalsContact O-N 3.11Å |
| 569 | S | 31.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -61.1 | 105.1 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | Q571 | S569-Q571 PolarHBondContact O-N 2.77Š|
| 570 | I | 30.9 | Very low | 30.6 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | | | trans | -86.7 | 109.3 | 166.3 | -58.2 | 174.9 | 0 | 0 | 0 | 106.2 | M568 Q572 | M568-I570 PolarHBondContact O-N 3.36Å; M568-I570 VanDerWaalsContact O-N 3.11Å; I570-Q572 PolarHBondContact O-N 3.08Å; I570-Q572 VanDerWaalsContact O-N 3.12Å |
| 571 | Q | 29.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -50.2 | 115.2 | 170.1 | -71.9 | 165.5 | -1.6 | 0 | 0 | 108.6 | S569 V573 | S569-Q571 PolarHBondContact O-N 2.77Å; Q571-V573 PolarHBondContact O-N 2.96Å; Q571-V573 VanDerWaalsContact O-N 3.1Å |
| 572 | Q | 33.7 | Very low | 31 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | -65.8 | 109.2 | 175.1 | -73.1 | 175.4 | -7.1 | 0 | 0 | 108.1 | I570 N574 | I570-Q572 PolarHBondContact O-N 3.08Å; I570-Q572 VanDerWaalsContact O-N 3.12Å; Q572-N574 PolarHBondContact O-N 2.99Å |
| 573 | V | 32.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -61.9 | 123.3 | 162.3 | -84.3 | 0 | 0 | 0 | 0 | 108.2 | Q571 I575 | Q571-V573 PolarHBondContact O-N 2.96Å; Q571-V573 VanDerWaalsContact O-N 3.1Å; V573-I575 PolarHBondContact O-N 3.26Å; V573-I575 VanDerWaalsContact O-N 3.11Å |
| 574 | N | 28.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -62.6 | 105.2 | 178.8 | -177.3 | 2.9 | 0 | 0 | 0 | 110 | Q572 Q576 | Q572-N574 PolarHBondContact O-N 2.99Å; N574-Q576 VanDerWaalsContact OD1-CB 3.22Å; N574-Q576 WeakPolarHBondContact OD1-CB 3.25Å; N574-Q576 VanDerWaalsContact OD1-CD 3.3Å; N574-Q576 WeakPolarHBondContact OD1-CG 3.12Å; N574-Q576 PolarHBondContact OD1-N 2.93Å |
| 575 | I | 32.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 136 Ų | 136 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | trans | -107.5 | 56.5 | 167 | -41.4 | 179.1 | 0 | 0 | 0 | 108.8 | V573 N577 V578 | V573-I575 PolarHBondContact O-N 3.26Å; V573-I575 VanDerWaalsContact O-N 3.11Å; I575-N577 VanDerWaalsContact C-N 3.31Å; I575-N577 PolarHBondContact O-N 3.13Å; I575-N577 VanDerWaalsContact O-N 3.13Å; I575-V578 HydrophobicContact CG2-CG2 3.97Å |
| 576 | Q | 31 | Very low | 30.5 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -74.4 | 84.5 | 160 | -78.8 | 165.4 | 5.5 | 0 | 0 | 108.9 | N574 | N574-Q576 VanDerWaalsContact OD1-CB 3.22Å; N574-Q576 WeakPolarHBondContact OD1-CB 3.25Å; N574-Q576 VanDerWaalsContact OD1-CD 3.3Å; N574-Q576 WeakPolarHBondContact OD1-CG 3.12Å; N574-Q576 PolarHBondContact OD1-N 2.93Å |
| 577 | N | 30 | Very low | 30.1 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | 175.5 | 50 | 146.4 | -97.7 | -6.9 | 0 | 0 | 0 | 112.5 | I575 | I575-N577 VanDerWaalsContact C-N 3.31Å; I575-N577 PolarHBondContact O-N 3.13Å; I575-N577 VanDerWaalsContact O-N 3.13Å |
| 578 | V | 29.7 | Very low | 30 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -123 | 78.2 | 158.3 | -132.2 | 0 | 0 | 0 | 0 | 106.8 | I575 P580 | I575-V578 HydrophobicContact CG2-CG2 3.97Å; V578-P580 VanDerWaalsContact O-CD 3.3Å; V578-P580 WeakPolarHBondContact O-CD 3.26Å |
| 579 | S | 29.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 119.3 | 165.4 | -91.4 | 0 | 0 | 0 | 0 | 107.9 | Y581 | S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.09Å |
| 580 | P | 33.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -82.7 | 86.1 | 178.7 | 33 | -29.4 | 0 | 0 | 0 | 108.6 | V578 | V578-P580 VanDerWaalsContact O-CD 3.3Å; V578-P580 WeakPolarHBondContact O-CD 3.26Å |
| 581 | Y | 28.4 | Very low | 29.2 | Very low | 216 Ų | 216 | 143.6 Ų | 143.6 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -106.4 | 117.3 | 160.1 | -96.3 | -82 | 0 | 0 | 0 | 109.2 | S579 | S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.09Å |
| 582 | P | 35.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | -79.3 | 119.9 | 173.1 | 31 | -28.4 | 0 | 0 | 0 | 109.2 | | |
| 583 | G | 28.1 | Very low | 29.1 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 103.1 | 88.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 584 | S | 28.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | -145.5 | 111.4 | 154.1 | -66.1 | 0 | 0 | 0 | 0 | 108.2 | I586 | S584-I586 VanDerWaalsContact C-N 3.35Å; S584-I586 PolarHBondContact O-N 2.94Å |
| 585 | V | 27.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | | | trans | -71.2 | 94.7 | 170.4 | -165.5 | 0 | 0 | 0 | 0 | 106.2 | S587 | V585-S587 PolarHBondContact O-N 2.75Š|
| 586 | I | 30.1 | Very low | 27.9 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | -77.9 | 109.9 | 177.1 | -63.4 | 164.9 | 0 | 0 | 0 | 107.8 | S584 M588 | S584-I586 VanDerWaalsContact C-N 3.35Å; S584-I586 PolarHBondContact O-N 2.94Å; I586-M588 HydrophobicContact CG2-CG 3.84Å |
| 587 | S | 21.4 | Very low | 27.8 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -74.4 | 117.7 | 162.8 | 173.3 | 0 | 0 | 0 | 0 | 109 | V585 | V585-S587 PolarHBondContact O-N 2.75Š|
| 588 | M | 29 | Very low | 28.2 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -131.2 | 129.4 | 166.8 | -81 | -108.1 | -73.6 | 0 | 0 | 109.8 | I586 | I586-M588 HydrophobicContact CG2-CG 3.84Š|
| 589 | Q | 21.7 | Very low | 28.1 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -119.5 | 131.9 | -166.3 | -173.9 | 157.6 | 12.5 | 0 | 0 | 108.9 | | |
| 590 | G | 27.1 | Very low | 28 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | 85.9 | 155 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 591 | R | 25.6 | Very low | 27.8 | Very low | 245 Ų | 245 | 126.6 Ų | 126.6 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | | | cis | -177.1 | 172 | -13.2 | -127.2 | -170.2 | -171.8 | -133.4 | 5.3 | 105.2 | | |
| 592 | P | 34.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | | | | -128.3 | 174 | -103.9 | 40.7 | -24.5 | 0 | 0 | 0 | 116.7 | | |
| 593 | A | 25.2 | Very low | 27.8 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | trans | 87.3 | 153.6 | 153 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 594 | Q | 25.4 | Very low | 28.3 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | 76.7 | 133.6 | -177.4 | -63 | -172.8 | -18.5 | 0 | 0 | 116.6 | | |
| 595 | Q | 23.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 56% | 0.556 | 75% | 0.753 | S | S | * | * | | | cis | -166.9 | 144 | -11.7 | -118.5 | 159 | 4.1 | 0 | 0 | 106.2 | R610 F612 | Q595-R610 VanDerWaalsContact C-CZ 3.48Å; Q595-R610 VanDerWaalsContact C-NH1 3.34Å; Q595-F612 WeakPolarHBondContact O-CE2 3.12Å; Q595-F612 WeakPolarHBondContact O-CZ 2.98Å |
| 596 | C | 20.5 | Very low | 28.3 | Very low | 71 Ų | 71 | 129 Ų | 129 | 48% | 0.48 | 75% | 0.75 | S | S | . | * | | | trans | -54.2 | 150.4 | 159.3 | -96.7 | 0 | 0 | 0 | 0 | 107.7 | R610 | C596-R610 VanDerWaalsContact CB-NH2 3.28Å; C596-R610 PolarHBondContact SG-NH2 3.01Å |
| 597 | P | 29.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | | -145.5 | 129.6 | 72.1 | 32.2 | -11.6 | 0 | 0 | 0 | 115.5 | | |
| 598 | P | 36.5 | Very low | 28.8 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -70.4 | 156 | 130.3 | 33.4 | -26.6 | 0 | 0 | 0 | 107.3 | | |
| 599 | A | 29.2 | Very low | 29 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -36.5 | 141.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A601 | A599-A601 VanDerWaalsContact C-N 3.31Å; A599-A601 PolarHBondContact O-N 3.36Å |
| 600 | P | 26.1 | Very low | 29.3 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -64.5 | 99.5 | 163.4 | 29.8 | -30.6 | 0 | 0 | 0 | 107.7 | | |
| 601 | A | 30 | Very low | 29.5 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | 179.7 | 95.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | A599 | A599-A601 VanDerWaalsContact C-N 3.31Å; A599-A601 PolarHBondContact O-N 3.36Å |
| 602 | N | 34.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | | 92.4 | 75.9 | 92.4 | -147.1 | -4.1 | 0 | 0 | 0 | 110.1 | | |
| 603 | Q | 28.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | -158.9 | 119.1 | 146.7 | -107.4 | 169.6 | 76.3 | 0 | 0 | 109.7 | | |
| 604 | T | 37.5 | Very low | 29.6 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | | | trans | -77.5 | 129.1 | -170.1 | 36.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 605 | G | 28.1 | Very low | 29.6 | Very low | 63 Ų | 63 | 126.7 Ų | 126.7 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | | | trans | 85.6 | 135.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 606 | F | 29.8 | Very low | 29.6 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | | | cis | -158.2 | 150 | 11.3 | -91.8 | -100 | 0 | 0 | 0 | 107.6 | | |
| 607 | M | 29 | Very low | 29.8 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | | | trans | 74.9 | 131.5 | 175.1 | -35.5 | -155.7 | 98.2 | 0 | 0 | 114.6 | | |
| 608 | S | 31.5 | Very low | 29.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -166.2 | 169.4 | 46.4 | -84.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 609 | P | 34.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -83.1 | 153 | -161.5 | 33.3 | -33.4 | 0 | 0 | 0 | 115.4 | | |
| 610 | R | 28.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 49% | 0.491 | 79% | 0.786 | S | S | . | * | | | trans | -88.6 | 148 | -173.6 | -68.8 | 179.5 | -175.5 | 149.2 | 11.9 | 114.2 | Q595 C596 | Q595-R610 VanDerWaalsContact C-CZ 3.48Å; Q595-R610 VanDerWaalsContact C-NH1 3.34Å; C596-R610 VanDerWaalsContact CB-NH2 3.28Å; C596-R610 PolarHBondContact SG-NH2 3.01Å |
| 611 | F | 32 | Very low | 29 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -122.9 | 130.8 | 153.1 | -83.6 | -93.8 | 0 | 0 | 0 | 108.7 | | |
| 612 | F | 28.9 | Very low | 28.7 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | | | trans | -119.4 | 128.7 | 164.6 | -87.2 | -81 | 0 | 0 | 0 | 108.4 | Q595 | Q595-F612 WeakPolarHBondContact O-CE2 3.12Å; Q595-F612 WeakPolarHBondContact O-CZ 2.98Å |
| 613 | G | 31.6 | Very low | 28.3 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -177.5 | 146.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 614 | P | 25.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | | -90.7 | 135.5 | -106.7 | 29.6 | -34.9 | 0 | 0 | 0 | 115 | | |
| 615 | V | 27.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | | 38.1 | 88.8 | 129.4 | -165 | 0 | 0 | 0 | 0 | 116.1 | | |
| 616 | Q | 22.7 | Very low | 27.8 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -126.2 | 128.4 | 148.3 | -114.7 | -165.9 | 15.3 | 0 | 0 | 110.2 | | |
| 617 | R | 23.8 | Very low | 27.8 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | trans | -75.1 | 135.9 | -180 | -61.1 | 171.7 | 175.9 | -154.4 | -2.1 | 109.8 | | |
| 618 | S | 27.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -174.7 | 95.6 | 135.7 | 38.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 619 | N | 26.6 | Very low | 28 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | | 54.5 | 109.6 | 87.2 | -80.7 | 6 | 0 | 0 | 0 | 112.3 | | |
| 620 | A | 23.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -38.5 | 144.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 621 | M | 27.8 | Very low | 27.9 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | -168.9 | 109.8 | 131.3 | -102.4 | 175.5 | -173.5 | 0 | 0 | 108.3 | | |
| 622 | Q | 22.7 | Very low | 27.8 | Very low | 151 Ų | 151 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -54.8 | 153.3 | 140.2 | -66.3 | -172.4 | 10.2 | 0 | 0 | 107.8 | P145 | P145-Q622 HydrophobicContact CG-CB 4.16Š|
| 623 | T | 27.5 | Very low | 27.7 | Very low | 66 Ų | 66 | 122.8 Ų | 122.8 | 41% | 0.405 | 77% | 0.766 | S | S | . | * | | | | 160 | 133.4 | 128.3 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | R144 | R144-T623 HydrophobicContact CG-CG2 3.77Š|
| 624 | S | 25.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -34.9 | 141 | 161.9 | -47.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 625 | Y | 27.7 | Very low | 27.4 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -114.3 | 144 | 149.6 | -76.6 | -86.7 | 0 | 0 | 0 | 106.2 | | |
| 626 | A | 31.2 | Very low | 27.3 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | cis | -172.2 | 165 | -3.4 | 0 | 0 | 0 | 0 | 0 | 103.1 | | |
| 627 | V | 29.8 | Very low | 27.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | | -165.2 | 176.3 | 66.7 | -159.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 628 | P | 34.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | | -88.3 | 172.9 | -75.8 | 36.3 | -21.8 | 0 | 0 | 0 | 107.7 | | |
| 629 | S | 30.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | -176.7 | 136.8 | 91 | -166.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 630 | A | 31.5 | Very low | 28.7 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | 65.1 | 92.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 631 | G | 29 | Very low | 28.9 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | | 99.4 | 138.3 | 103.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 632 | G | 27.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | | | trans | 80.1 | 100.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 633 | G | 28.7 | Very low | 29.4 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | | 96.5 | 131.1 | 62.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 634 | K | 23.6 | Very low | 29.5 | Very low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | | 40.8 | 97.9 | 67.2 | -59.4 | -170.9 | 175.3 | -176.3 | 0 | 107 | | |
| 635 | Q | 26.2 | Very low | 29.3 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | -157.3 | 138.7 | 52.7 | -85.9 | 149 | -1.4 | 0 | 0 | 107.2 | A637 | Q635-A637 PolarHBondContact O-N 3.05Š|
| 636 | Q | 24.7 | Very low | 29.6 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | | 41.2 | 73.2 | 88.2 | -89.8 | 176.2 | -12.6 | 0 | 0 | 110.5 | | |
| 637 | A | 26.3 | Very low | 29.5 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | -103.5 | 101.6 | 133 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q635 | Q635-A637 PolarHBondContact O-N 3.05Š|
| 638 | P | 34 | Very low | 29.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -65.2 | 166.4 | 133.3 | 37 | -30.8 | 0 | 0 | 0 | 107.1 | | |
| 639 | P | 35.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | cis | -132.9 | 168.9 | 17.4 | 23.8 | 1.1 | 0 | 0 | 0 | 113 | | |
| 640 | T | 34.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 22 | 134.9 | 145 | -42.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 641 | V | 29.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 127.1 | 126.2 | 152.3 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 642 | R | 26.2 | Very low | 29.8 | Very low | 236 Ų | 236 | 130.7 Ų | 130.7 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | -45 | 127.5 | -177.5 | -69.2 | 168 | 145.9 | 172.5 | -8.2 | 112 | L644 | R642-L644 PolarHBondContact O-N 3.44Š|
| 643 | P | 33.2 | Very low | 30.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -72.5 | 120.2 | 173.9 | 28 | -29.8 | 0 | 0 | 0 | 109.7 | | |
| 644 | L | 31.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -64.3 | 124.9 | 168.2 | -163.8 | 73.9 | 0 | 0 | 0 | 108.5 | R642 I646 | R642-L644 PolarHBondContact O-N 3.44Å; L644-I646 HydrophobicContact CD2-CD1 3.61Å; L644-I646 HydrophobicContact CD2-CG1 3.97Å; L644-I646 HydrophobicContact CG-CD1 4.27Å; L644-I646 HydrophobicContact CG-CG1 4.1Å; L644-I646 PolarHBondContact O-N 3.43Å |
| 645 | F | 21.3 | Very low | 31.2 | Very low | 209 Ų | 209 | 131.9 Ų | 131.9 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 112.6 | 161.2 | -91.6 | -94.8 | 0 | 0 | 0 | 108.2 | | |
| 646 | I | 32.8 | Very low | 31.8 | Very low | 134 Ų | 134 | 130 Ų | 130 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | -139.1 | 128.7 | 154.4 | -58 | -177.1 | 0 | 0 | 0 | 107.6 | L644 | L644-I646 HydrophobicContact CD2-CD1 3.61Å; L644-I646 HydrophobicContact CD2-CG1 3.97Å; L644-I646 HydrophobicContact CG-CD1 4.27Å; L644-I646 HydrophobicContact CG-CG1 4.1Å; L644-I646 PolarHBondContact O-N 3.43Å |
| 647 | P | 30.5 | Very low | 32 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -94.6 | 175.9 | -172.1 | 38.5 | -35.5 | 0 | 0 | 0 | 113.8 | | |
| 648 | S | 30.3 | Very low | 32.5 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | trans | 72.7 | 120.9 | 155.6 | -93.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 649 | D | 31.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | | 57.8 | 114.3 | 125 | -49.8 | -37.7 | 0 | 0 | 0 | 120 | | |
| 650 | G | 30.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 92 | 112.6 | 139 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 651 | S | 37.1 | Very low | 31.7 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | 80.5 | 97.4 | 153.4 | 72.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 652 | G | 29.9 | Very low | 31.5 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -172.9 | 121 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 653 | P | 37.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 150.5 | -170.7 | 33.3 | -33.4 | 0 | 0 | 0 | 112.9 | | |
| 654 | P | 34.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 159.3 | 179.9 | 34.3 | -32.8 | 0 | 0 | 0 | 114 | | |
| 655 | P | 38.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 172.2 | -171.8 | 36.9 | -36.8 | 0 | 0 | 0 | 115.2 | | |
| 656 | P | 39.5 | Very low | 32 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 162 | -151.1 | 38.1 | -33.9 | 0 | 0 | 0 | 117.3 | | |
| 657 | N | 27.6 | Very low | 31.9 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -19.7 | 125.4 | 164.7 | -94.7 | -65.2 | 0 | 0 | 0 | 117.9 | | |
| 658 | V | 37.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -133.6 | 103.3 | 142 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 659 | R | 28 | Very low | 31.7 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | | | trans | -83.7 | 136.3 | 168.1 | -72.8 | -178.2 | 162.3 | -176.8 | -5.4 | 109.1 | | |
| 660 | H | 32.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | -139.8 | 109.8 | 155.6 | -96.9 | 61.7 | 0 | 0 | 0 | 110.2 | | |
| 661 | N | 27.1 | Very low | 32.1 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -89.1 | 142.8 | 162.4 | -96.2 | -8.9 | 0 | 0 | 0 | 108.2 | | |
| 662 | G | 25.6 | Very low | 32.1 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 126.4 | 126.2 | 153 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 663 | C | 23.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | 31.1 | 124.7 | 148.3 | -64.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 664 | Y | 31.1 | Very low | 32.3 | Very low | 229 Ų | 229 | 143.2 Ų | 143.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | | | trans | -17.2 | 142.8 | 160.8 | -67.4 | -82.7 | 0 | 0 | 0 | 117.8 | | |
| 665 | P | 38.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | | -146.6 | 163.7 | 66.8 | 38.1 | -18.4 | 0 | 0 | 0 | 118.2 | | |
| 666 | I | 29 | Very low | 32.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | trans | 13.1 | 119.8 | 142.6 | -55 | 162.3 | 0 | 0 | 0 | 117.2 | | |
| 667 | E | 30.4 | Very low | 32.2 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -164 | 152.4 | 141.1 | -104.2 | -65.3 | 157.1 | 0 | 0 | 108.5 | | |
| 668 | A | 29.7 | Very low | 32.4 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -83.1 | 138 | -151.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 669 | G | 27.2 | Very low | 32.2 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | 107.1 | 152.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 670 | P | 33.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | cis | -115.3 | 155.7 | -8.1 | 37.7 | -24.2 | 0 | 0 | 0 | 113.8 | | |
| 671 | P | 36.8 | Very low | 32.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -81.3 | 127.4 | 167.8 | 33.4 | -28.2 | 0 | 0 | 0 | 108.8 | | |
| 672 | G | 37 | Very low | 33.1 | Very low | 50 Ų | 50 | 138.3 Ų | 138.3 | 52% | 0.515 | 80% | 0.797 | S | S | . | * | | | trans | -154.5 | 13.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 673 | Y | 34.9 | Very low | 33.5 | Very low | 218 Ų | 218 | 142.6 Ų | 142.6 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -137.9 | 7.5 | -177.4 | -83.1 | -78.9 | 0 | 0 | 0 | 117.2 | | |
| 674 | F | 37.9 | Very low | 34.1 | Very low | 220 Ų | 220 | 145.1 Ų | 145.1 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -143.1 | 23.9 | 173.8 | -89.8 | -76.7 | 0 | 0 | 0 | 115.9 | | |
| 675 | A | 35.8 | Very low | 34.2 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -121.8 | -5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F677 | A675-F677 PolarHBondContact O-N 3.04Š|
| 676 | D | 37.1 | Very low | 34 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 11.4 | 179.7 | -68.7 | -29.2 | 0 | 0 | 0 | 114.4 | | |
| 677 | F | 36.7 | Very low | 34.2 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 95% | 0.952 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 31.2 | 176.2 | -82 | -78.8 | 0 | 0 | 0 | 113.4 | A675 | A675-F677 PolarHBondContact O-N 3.04Š|
| 678 | A | 32.3 | Very low | 34.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | | | trans | -150.9 | 68.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 679 | E | 32.2 | Very low | 35.1 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | -116.3 | 124.8 | 144 | -90.1 | -149.9 | 152.9 | 0 | 0 | 109.7 | | |
| 680 | P | 33 | Very low | 35.6 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | trans | -101.4 | 156.4 | -179 | 41.8 | -34.9 | 0 | 0 | 0 | 111.6 | | |
| 681 | L | 31.9 | Very low | 35.7 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 91.2 | 122.8 | 155.2 | -58.5 | 171.9 | 0 | 0 | 0 | 119.9 | | |
| 682 | T | 41.3 | Very low | 35.7 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | | | trans | 64.7 | 80.5 | 134.2 | 60.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 683 | N | 34.4 | Very low | 35.7 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | trans | -158.5 | 47.2 | 152.8 | -90.1 | -44.4 | 0 | 0 | 0 | 113.7 | | |
| 684 | L | 35 | Very low | 36.1 | Very low | 182 Ų | 182 | 154 Ų | 154 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | | | trans | -130.5 | 21.8 | 165.6 | -76.2 | 168.1 | 0 | 0 | 0 | 113 | S686 | L684-S686 PolarHBondContact O-N 3.33Š|
| 685 | D | 34.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | -84.4 | 87.8 | 161.7 | -155.6 | -44.2 | 0 | 0 | 0 | 108.1 | | |
| 686 | S | 34.4 | Very low | 37 | Very low | 100 Ų | 100 | 158.4 Ų | 158.4 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | | | trans | 156.5 | 100 | 153.3 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | L684 | L684-S686 PolarHBondContact O-N 3.33Š|
| 687 | K | 32.9 | Very low | 37.4 | Very low | 206 Ų | 206 | 156.5 Ų | 156.5 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | trans | 177.2 | 38.9 | 140.6 | -96.2 | 169.9 | -165.8 | -164.7 | 0 | 112.4 | P689 | K687-P689 WeakPolarHBondContact O-CD 2.82Š|
| 688 | V | 41.4 | Very low | 38.2 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -92.2 | 109.9 | 158.6 | -171.4 | 0 | 0 | 0 | 0 | 106.6 | S690 | V688-S690 PolarHBondContact O-N 2.97Å; V688-S690 VanDerWaalsContact O-N 3.14Å |
| 689 | P | 37.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | trans | -68.6 | 112.3 | 177.7 | 25.5 | -30.1 | 0 | 0 | 0 | 109.6 | K687 Q691 | K687-P689 WeakPolarHBondContact O-CD 2.82Å; P689-Q691 PolarHBondContact O-N 3.39Å |
| 690 | S | 36.8 | Very low | 40.9 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | | | trans | -60.8 | 91.5 | 166.7 | -78.7 | 0 | 0 | 0 | 0 | 110.4 | V688 | V688-S690 PolarHBondContact O-N 2.97Å; V688-S690 VanDerWaalsContact O-N 3.14Å |
| 691 | Q | 36 | Very low | 42.5 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | -83.8 | 120.4 | 161.5 | -69.5 | -160.4 | 35.5 | 0 | 0 | 109.1 | P689 | P689-Q691 PolarHBondContact O-N 3.39Š|
| 692 | K | 36.6 | Very low | 44.4 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -39.1 | 130.3 | -178.4 | -80.7 | 168.3 | 168.4 | 174.8 | 0 | 113.8 | Q694 | K692-Q694 PolarHBondContact O-N 2.94Š|
| 693 | L | 38.2 | Very low | 45.9 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -46.2 | 102.8 | 162.8 | -65.5 | 156.8 | 0 | 0 | 0 | 110.5 | Y695 | L693-Y695 PolarHBondContact O-N 3.2Š|
| 694 | Q | 42.7 | Very low | 47.9 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -71 | 114.1 | 166.2 | -150.2 | 152.4 | 25 | 0 | 0 | 106.4 | K692 F696 | K692-Q694 PolarHBondContact O-N 2.94Å; Q694-F696 WeakPolarHBondContact O-CD2 2.96Å; Q694-F696 PolarHBondContact O-N 3.35Å |
| 695 | Y | 36.6 | Very low | 49.9 | Very low | 212 Ų | 212 | 151.7 Ų | 151.7 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | -59.5 | 99.3 | -172.6 | -149.6 | -92.4 | 0 | 0 | 0 | 109.7 | L693 | L693-Y695 PolarHBondContact O-N 3.2Š|
| 696 | F | 54.8 | Low | 52.1 | Low | 181 Ų | 181 | 150.4 Ų | 150.4 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.6 | 170.7 | -75.8 | -87.1 | 0 | 0 | 0 | 108.4 | Q694 D698 | Q694-F696 WeakPolarHBondContact O-CD2 2.96Å; Q694-F696 PolarHBondContact O-N 3.35Å; F696-D698 PolarHBondContact O-N 3.01Å |
| 697 | P | 45.7 | Very low | 54.4 | Low | 112 Ų | 112 | 151.4 Ų | 151.4 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127.2 | 175.3 | 24.4 | -30.6 | 0 | 0 | 0 | 109.4 | | |
| 698 | D | 54.1 | Low | 56.7 | Low | 114 Ų | 114 | 148.9 Ų | 148.9 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.9 | -175.5 | -101.9 | -42.6 | 0 | 0 | 0 | 111.5 | F696 M700 Q701 | F696-D698 PolarHBondContact O-N 3.01Å; D698-M700 PolarHBondContact O-N 3.35Å; D698-Q701 PolarHBondContact O-N 3.32Å |
| 699 | P | 58.8 | Low | 58.7 | Low | 100 Ų | 100 | 148.4 Ų | 148.4 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -64.2 | -12.7 | -173.7 | 22.3 | -31.8 | 0 | 0 | 0 | 114 | R703 | P699-R703 PolarHBondContact O-N 3.45Å |
| 700 | M | 62.7 | Low | 61.1 | Low | 157 Ų | 157 | 150.4 Ų | 150.4 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -65.8 | -39.9 | 176.7 | -79 | -124.5 | -64.9 | 0 | 0 | 113.2 | D698 H702 R703 Q704 | D698-M700 PolarHBondContact O-N 3.35Å; M700-H702 VanDerWaalsContact C-N 3.34Å; M700-H702 PolarHBondContact O-N 2.86Å; M700-R703 PolarHBondContact O-N 3.29Å; M700-Q704 PolarHBondContact O-N 2.93Å |
| 701 | Q | 65.6 | Low | 63.3 | Low | 160 Ų | 160 | 151.5 Ų | 151.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -69.1 | -36 | 179.3 | -75.9 | -151 | -7 | 0 | 0 | 111.8 | D698 R703 Q704 Q705 | D698-Q701 PolarHBondContact O-N 3.32Å; Q701-R703 PolarHBondContact O-N 3.01Å; Q701-Q704 PolarHBondContact O-N 3.35Å; Q701-Q705 PolarHBondContact O-N 2.98Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å |
| 702 | H | 71.7 | Confident | 65.7 | Low | 137 Ų | 137 | 149.3 Ų | 149.3 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 178.2 | -136.3 | 75.5 | 0 | 0 | 0 | 111.8 | M700 Q706 | M700-H702 VanDerWaalsContact C-N 3.34Å; M700-H702 PolarHBondContact O-N 2.86Å; H702-Q706 WeakPolarHBondContact O-CB 3.46Å; H702-Q706 PolarHBondContact O-N 2.65Å; H702-Q706 VanDerWaalsContact O-N 3.11Å |
| 703 | R | 73.4 | Confident | 68.1 | Low | 160 Ų | 160 | 146 Ų | 146 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.5 | -35 | 178.7 | -142.4 | -161.3 | -161.1 | -108.9 | 5.3 | 112.9 | P699 M700 Q701 Q707 | P699-R703 PolarHBondContact O-N 3.45Å; M700-R703 PolarHBondContact O-N 3.29Å; Q701-R703 PolarHBondContact O-N 3.01Å; R703-Q707 PolarHBondContact O-N 2.94Å |
| 704 | Q | 75.7 | Confident | 70.4 | Confident | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.2 | -37.3 | 179.4 | -160.5 | 168.2 | 48 | 0 | 0 | 111.6 | M700 Q701 Q708 | M700-Q704 PolarHBondContact O-N 2.93Å; Q701-Q704 PolarHBondContact O-N 3.35Å; Q704-Q708 PolarHBondContact O-N 3.41Å |
| 705 | Q | 78.1 | Confident | 72.3 | Confident | 136 Ų | 136 | 143.1 Ų | 143.1 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.5 | -35.9 | 175.7 | -155.7 | 174.1 | 54.4 | 0 | 0 | 112.1 | Q701 Q708 H709 | Q701-Q705 PolarHBondContact O-N 2.98Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å; Q705-Q708 PolarHBondContact O-N 3.19Å; Q705-H709 PolarHBondContact O-N 2.92Å; Q705-H709 VanDerWaalsContact O-N 3.15Å |
| 706 | Q | 81.5 | Confident | 74.6 | Confident | 135 Ų | 135 | 140 Ų | 140 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.3 | -34.4 | 178 | -157.4 | 173.4 | 46.8 | 0 | 0 | 112.8 | H702 Q710 | H702-Q706 WeakPolarHBondContact O-CB 3.46Å; H702-Q706 PolarHBondContact O-N 2.65Å; H702-Q706 VanDerWaalsContact O-N 3.11Å; Q706-Q710 PolarHBondContact O-N 3.27Å |
| 707 | Q | 80.8 | Confident | 75.9 | Confident | 121 Ų | 121 | 138.3 Ų | 138.3 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.1 | -37.6 | 173.3 | -88.5 | -173.9 | -2.5 | 0 | 0 | 112.7 | R703 H709 Q710 Q711 | R703-Q707 PolarHBondContact O-N 2.94Å; Q707-H709 VanDerWaalsContact C-N 3.34Å; Q707-H709 PolarHBondContact O-N 2.95Å; Q707-Q710 PolarHBondContact O-N 3.38Å; Q707-Q711 PolarHBondContact O-N 3.33Å |
| 708 | Q | 81.4 | Confident | 77.5 | Confident | 153 Ų | 153 | 140.1 Ų | 140.1 | 72% | 0.715 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.5 | -38.9 | 177 | -122.7 | -171.6 | 32.2 | 0 | 0 | 112 | Q704 Q705 Q711 Q712 | Q704-Q708 PolarHBondContact O-N 3.41Å; Q705-Q708 PolarHBondContact O-N 3.19Å; Q708-Q711 PolarHBondContact O-N 2.98Å; Q708-Q712 PolarHBondContact O-N 2.71Å |
| 709 | H | 84.9 | Confident | 78.7 | Confident | 127 Ų | 127 | 142 Ų | 142 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.1 | -36.9 | 179.4 | -140.1 | 78.8 | 0 | 0 | 0 | 112.5 | Q705 Q707 Q712 Q713 | Q705-H709 PolarHBondContact O-N 2.92Å; Q705-H709 VanDerWaalsContact O-N 3.15Å; Q707-H709 VanDerWaalsContact C-N 3.34Å; Q707-H709 PolarHBondContact O-N 2.95Å; H709-Q712 PolarHBondContact O-N 2.88Å; H709-Q713 PolarHBondContact O-N 2.75Å |
| 710 | Q | 86.1 | Confident | 79.7 | Confident | 144 Ų | 144 | 144.6 Ų | 144.6 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69 | -34.4 | 178.3 | -164.4 | 173.8 | 85.2 | 0 | 0 | 112.2 | Q706 Q707 Q714 | Q706-Q710 PolarHBondContact O-N 3.27Å; Q707-Q710 PolarHBondContact O-N 3.38Å; Q710-Q714 PolarHBondContact O-N 3.18Å |
| 711 | Q | 84.8 | Confident | 80.4 | Confident | 149 Ų | 149 | 144 Ų | 144 | 70% | 0.696 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.6 | -34.5 | 178.9 | -152 | 173.6 | 73.6 | 0 | 0 | 112.3 | Q707 Q708 Q714 Q715 | Q707-Q711 PolarHBondContact O-N 3.33Å; Q708-Q711 PolarHBondContact O-N 2.98Å; Q711-Q714 PolarHBondContact O-N 3.42Å; Q711-Q715 PolarHBondContact O-N 2.72Å |
| 712 | Q | 86.5 | Confident | 80.9 | Confident | 134 Ų | 134 | 143.7 Ų | 143.7 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.2 | -36.1 | 176.5 | -163.2 | 173.4 | 72.3 | 0 | 0 | 112.3 | Q708 H709 Q715 Q716 | Q708-Q712 PolarHBondContact O-N 2.71Å; H709-Q712 PolarHBondContact O-N 2.88Å; Q712-Q715 PolarHBondContact O-N 2.9Å; Q712-Q716 PolarHBondContact O-N 2.69Å |
| 713 | Q | 87.1 | Confident | 81 | Confident | 133 Ų | 133 | 143.7 Ų | 143.7 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.6 | -33.7 | 178.7 | -153.7 | 177.9 | 79.6 | 0 | 0 | 112.4 | H709 Q715 Q716 Q717 | H709-Q713 PolarHBondContact O-N 2.75Å; Q713-Q715 VanDerWaalsContact C-N 3.35Å; Q713-Q716 PolarHBondContact O-N 2.91Å; Q713-Q717 PolarHBondContact O-N 2.93Å |
| 714 | Q | 84.5 | Confident | 80.7 | Confident | 135 Ų | 135 | 143.5 Ų | 143.5 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.2 | -32.5 | 177.2 | -136.9 | 176.5 | 73.3 | 0 | 0 | 112.4 | Q710 Q711 | Q710-Q714 PolarHBondContact O-N 3.18Å; Q711-Q714 PolarHBondContact O-N 3.42Å |
| 715 | Q | 84.1 | Confident | 80.3 | Confident | 153 Ų | 153 | 143.8 Ų | 143.8 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.4 | -30.9 | 177.4 | -142 | 175.7 | 78.4 | 0 | 0 | 112.2 | Q711 Q712 Q713 Q719 | Q711-Q715 PolarHBondContact O-N 2.72Å; Q712-Q715 PolarHBondContact O-N 2.9Å; Q713-Q715 VanDerWaalsContact C-N 3.35Å; Q715-Q719 PolarHBondContact O-N 2.94Å |
| 716 | Q | 84.2 | Confident | 79.4 | Confident | 148 Ų | 148 | 145.1 Ų | 145.1 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.5 | -33.7 | 177.5 | -132.8 | -179.9 | 75.7 | 0 | 0 | 112.8 | Q712 Q713 Q720 | Q712-Q716 PolarHBondContact O-N 2.69Å; Q713-Q716 PolarHBondContact O-N 2.91Å; Q716-Q720 PolarHBondContact O-N 3.01Å |
| 717 | Q | 81.7 | Confident | 78.3 | Confident | 145 Ų | 145 | 146.6 Ų | 146.6 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.2 | -37.2 | 176.1 | -100.1 | -174.6 | 37.7 | 0 | 0 | 113.2 | Q713 Q719 Q720 Q721 | Q713-Q717 PolarHBondContact O-N 2.93Å; Q717-Q719 VanDerWaalsContact C-N 3.35Å; Q717-Q719 PolarHBondContact O-N 3.45Å; Q717-Q720 PolarHBondContact O-N 2.63Å; Q717-Q721 PolarHBondContact O-N 2.86Å |
| 718 | Q | 80.4 | Confident | 77.1 | Confident | 150 Ų | 150 | 149.4 Ų | 149.4 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.9 | -35.9 | 178.1 | -90.4 | -171.7 | 35.4 | 0 | 0 | 112.7 | Q720 Q721 Q722 | Q718-Q720 VanDerWaalsContact C-N 3.3Å; Q718-Q720 PolarHBondContact O-N 3.1Å; Q718-Q721 PolarHBondContact O-N 3.29Å; Q718-Q722 PolarHBondContact O-N 3.11Å |
| 719 | Q | 79.3 | Confident | 75.6 | Confident | 152 Ų | 152 | 150.7 Ų | 150.7 | 71% | 0.71 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.8 | -31.3 | -179.9 | -151.6 | 177.3 | 81.3 | 0 | 0 | 111.9 | Q715 Q717 M723 | Q715-Q719 PolarHBondContact O-N 2.94Å; Q717-Q719 VanDerWaalsContact C-N 3.35Å; Q717-Q719 PolarHBondContact O-N 3.45Å; Q719-M723 PolarHBondContact O-N 3.36Å |
| 720 | Q | 78.6 | Confident | 73.4 | Confident | 156 Ų | 156 | 153.5 Ų | 153.5 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -73.4 | -35.2 | 178.5 | -148 | 176.7 | 77.3 | 0 | 0 | 112.6 | Q716 Q717 Q718 Q724 | Q716-Q720 PolarHBondContact O-N 3.01Å; Q717-Q720 PolarHBondContact O-N 2.63Å; Q718-Q720 VanDerWaalsContact C-N 3.3Å; Q718-Q720 PolarHBondContact O-N 3.1Å; Q720-Q724 PolarHBondContact O-N 3.14Å |
| 721 | Q | 78.4 | Confident | 71 | Confident | 143 Ų | 143 | 150 Ų | 150 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.8 | -35.9 | 174.7 | -100.3 | -175.6 | 24.6 | 0 | 0 | 112.9 | Q717 Q718 Q724 Q725 | Q717-Q721 PolarHBondContact O-N 2.86Å; Q718-Q721 PolarHBondContact O-N 3.29Å; Q721-Q724 PolarHBondContact O-N 3.27Å; Q721-Q725 PolarHBondContact O-N 2.97Å |
| 722 | Q | 76.4 | Confident | 69.2 | Low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -71 | -34.6 | -178 | -136.2 | 176.3 | 50.7 | 0 | 0 | 112.4 | Q718 | Q718-Q722 PolarHBondContact O-N 3.11Å |
| 723 | M | 72.5 | Confident | 66.7 | Low | 137 Ų | 137 | 147.2 Ų | 147.2 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -65.2 | -35.8 | 173.2 | -92.9 | -100 | -74.7 | 0 | 0 | 112.8 | Q719 Q726 Q727 | Q719-M723 PolarHBondContact O-N 3.36Å; M723-Q726 PolarHBondContact O-N 3.18Å; M723-Q727 PolarHBondContact O-N 3.16Å |
| 724 | Q | 68.9 | Low | 64.2 | Low | 155 Ų | 155 | 149.5 Ų | 149.5 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -72.4 | -30.7 | -177 | -156.3 | 172.3 | 67.5 | 0 | 0 | 112.7 | Q720 Q721 | Q720-Q724 PolarHBondContact O-N 3.14Å; Q721-Q724 PolarHBondContact O-N 3.27Å |
| 725 | Q | 66.5 | Low | 61.6 | Low | 158 Ų | 158 | 151.3 Ų | 151.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -71.9 | -30.4 | 173.8 | -88.5 | -172.6 | 52.5 | 0 | 0 | 113.4 | Q721 Q727 | Q721-Q725 PolarHBondContact O-N 2.97Å; Q725-Q727 VanDerWaalsContact C-N 3.32Å; Q725-Q727 PolarHBondContact O-N 2.88Å |
| 726 | Q | 59 | Low | 59.2 | Low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -73.5 | -23.8 | 178.5 | -109.6 | -179.6 | 33.8 | 0 | 0 | 113.4 | M723 | M723-Q726 PolarHBondContact O-N 3.18Å |
| 727 | Q | 57.4 | Low | 56.9 | Low | 165 Ų | 165 | 147.2 Ų | 147.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -80.9 | -16.7 | -178.3 | -132.8 | 176.9 | 65.4 | 0 | 0 | 113.9 | M723 Q725 | M723-Q727 PolarHBondContact O-N 3.16Å; Q725-Q727 VanDerWaalsContact C-N 3.32Å; Q725-Q727 PolarHBondContact O-N 2.88Å |
| 728 | Q | 56.4 | Low | 54.6 | Low | 181 Ų | 181 | 148.3 Ų | 148.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -6 | -179.7 | -107.2 | -176 | 24 | 0 | 0 | 115.1 | | |
| 729 | Q | 49.5 | Very low | 52.7 | Low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 7.3 | 179.1 | -87.5 | -171.8 | 23.7 | 0 | 0 | 115.4 | | |
| 730 | Q | 38.2 | Very low | 50.6 | Low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -125.8 | 88.3 | 173.3 | -67.4 | -172.2 | 14.4 | 0 | 0 | 111.2 | | |
| 731 | G | 36 | Very low | 48.8 | Very low | 69 Ų | 69 | 143.6 Ų | 143.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | -153.6 | 124.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 732 | P | 48.6 | Very low | 47 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -97 | 122.3 | -162 | 35.6 | -32.6 | 0 | 0 | 0 | 115.5 | | |
| 733 | S | 33.8 | Very low | 44.7 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | | 30.6 | 114.6 | 114.4 | -80.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 734 | F | 33.1 | Very low | 42.8 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | trans | 70 | 141.3 | 148.1 | -64.6 | -90.8 | 0 | 0 | 0 | 117.4 | | |
| 735 | Q | 30.8 | Very low | 41 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | cis | -172.5 | 136 | 20.7 | -144.2 | 151.9 | 8.7 | 0 | 0 | 108.5 | | |
| 736 | A | 32.6 | Very low | 39.2 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -161.2 | 146.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 737 | P | 36.6 | Very low | 37.8 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 151.4 | -154.1 | 4 | 18.4 | 0 | 0 | 0 | 114.6 | | |
| 738 | L | 34.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 136.8 | 175.2 | -84.7 | 67.4 | 0 | 0 | 0 | 113 | | |
| 739 | P | 39.4 | Very low | 35.3 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 125 | 155 | 31.7 | -24.9 | 0 | 0 | 0 | 111.6 | | |
| 740 | D | 34.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 167.9 | 155.6 | -148.2 | 21.4 | 0 | 0 | 0 | 107.1 | | |
| 741 | P | 42.5 | Very low | 34.4 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 55% | 0.552 | 79% | 0.788 | S | S | * | * | | | cis | -148 | -170.1 | 17.5 | 38.4 | -13.5 | 0 | 0 | 0 | 115.8 | D743 | P741-D743 PolarHBondContact O-N 3.47Š|
| 742 | T | 39 | Very low | 34.1 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | | | trans | -39.6 | 28.5 | 167.4 | 19.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 743 | D | 28.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | trans | -114.4 | 123.5 | 172.9 | -78.8 | -46 | 0 | 0 | 0 | 112.9 | P741 | P741-D743 PolarHBondContact O-N 3.47Š|
| 744 | M | 32.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | 92.5 | 79.2 | 165.5 | -57.2 | -177.8 | -77.9 | 0 | 0 | 118.5 | | |
| 745 | Q | 31.9 | Very low | 32.5 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | S | Bend | | -52.9 | 136.7 | 122.9 | -81.4 | 174.5 | 6.6 | 0 | 0 | 108.5 | | |
| 746 | F | 27.6 | Very low | 32.5 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 90.1 | 79.3 | -170.3 | -64.1 | -81.4 | 0 | 0 | 0 | 116.8 | | |
| 747 | A | 30.4 | Very low | 32 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | | -157.4 | 66.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | G749 | A747-G749 PolarHBondContact O-N 3.07Š|
| 748 | I | 33.7 | Very low | 31.6 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | | | trans | -73.3 | 110.9 | 155.9 | -68.2 | 168.5 | 0 | 0 | 0 | 106.1 | | |
| 749 | G | 27.9 | Very low | 31 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | 82.2 | 111.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | A747 | A747-G749 PolarHBondContact O-N 3.07Š|
| 750 | L | 34.2 | Very low | 30.7 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -136.5 | 119.6 | 132.4 | -87.6 | 173.7 | 0 | 0 | 0 | 109.5 | | |
| 751 | S | 33.6 | Very low | 30.3 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -46.3 | 128 | 173.5 | 47 | 0 | 0 | 0 | 0 | 114.7 | Q753 | S751-Q753 PolarHBondContact O-N 3.08Å; S751-Q753 VanDerWaalsContact O-N 3.16Å |
| 752 | G | 29.7 | Very low | 29.7 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 84 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 753 | Q | 24.3 | Very low | 29.1 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -151.6 | 99.6 | 143.7 | -82.5 | -57.5 | -34.2 | 0 | 0 | 106.1 | S751 | S751-Q753 PolarHBondContact O-N 3.08Å; S751-Q753 VanDerWaalsContact O-N 3.16Å |
| 754 | P | 28.8 | Very low | 29 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | -140.8 | 131 | 117.1 | 27.6 | -9.4 | 0 | 0 | 0 | 114 | | |
| 755 | V | 28.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | | | trans | 15.9 | 113.4 | 150.6 | -144.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 756 | P | 31.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | trans | -100 | 104.7 | 160 | 31.9 | -22.3 | 0 | 0 | 0 | 110.5 | | |
| 757 | Y | 21 | Very low | 28.8 | Very low | 214 Ų | 214 | 133.1 Ų | 133.1 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -104.5 | 93.3 | 158.9 | -137.6 | -84.9 | 0 | 0 | 0 | 106.7 | | |
| 758 | M | 28.7 | Very low | 28.6 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -161.3 | 106.9 | 154.6 | -92.5 | -56.2 | 100.4 | 0 | 0 | 108.2 | | |
| 759 | S | 21.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | -50.4 | 130.6 | 157 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 760 | V | 32.6 | Very low | 29 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | | -166.1 | 145 | 120.1 | -122.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 761 | Q | 27.2 | Very low | 29 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | -29.1 | 139.3 | 177.1 | -85.9 | 92.9 | -18.8 | 0 | 0 | 117.7 | | |
| 762 | N | 28.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | -170.8 | 129.3 | 82 | -159.3 | 4.9 | 0 | 0 | 0 | 111.4 | | |
| 763 | Y | 26.6 | Very low | 28.9 | Very low | 236 Ų | 236 | 129.3 Ų | 129.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -77.9 | 132.5 | 173.7 | -114.5 | -105.2 | 0 | 0 | 0 | 108.9 | | |
| 764 | G | 27.9 | Very low | 29.3 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 175.4 | 62.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 765 | G | 26.4 | Very low | 29.7 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | 77.8 | 160.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 766 | P | 34.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -118.6 | 157 | -141 | 38.3 | -25.7 | 0 | 0 | 0 | 114.3 | | |
| 767 | S | 26.6 | Very low | 30.1 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 155.8 | 136.7 | 137.1 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 768 | G | 25.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -72.8 | -147.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 769 | P | 37 | Very low | 30.4 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | cis | -126.3 | 173.4 | -11.4 | 35 | -16.5 | 0 | 0 | 0 | 113 | | |
| 770 | A | 33.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -54.7 | 150.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 771 | P | 33.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | | | trans | -139.2 | 134 | 138.7 | 38.6 | -24.1 | 0 | 0 | 0 | 114.4 | | |
| 772 | T | 28.7 | Very low | 30.5 | Very low | 136 Ų | 136 | 128 Ų | 128 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | | 53.6 | 120.5 | 128.9 | 61.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 773 | G | 34 | Very low | 30.4 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -87.1 | -167.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 774 | P | 31.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 119 Ų | 119 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -140 | -170.1 | 158.4 | 41.3 | -24.1 | 0 | 0 | 0 | 112.4 | | |
| 775 | P | 37 | Very low | 31.5 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | | -133.9 | -179.5 | -65.5 | 40.6 | -24.5 | 0 | 0 | 0 | 113.3 | | |
| 776 | P | 41.4 | Very low | 31.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -111.4 | 139.6 | 168.7 | 35.7 | -24 | 0 | 0 | 0 | 113.3 | | |
| 777 | Q | 27.9 | Very low | 31.5 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -158.1 | 137.5 | 153.2 | -80.8 | -150.4 | -19.3 | 0 | 0 | 114.8 | | |
| 778 | A | 26.4 | Very low | 31.6 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | | | trans | 75.9 | 112.2 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 779 | M | 29.9 | Very low | 31.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | | 159.7 | 128.6 | 102.6 | -85.8 | -154.8 | 166.6 | 0 | 0 | 115.1 | | |
| 780 | V | 29.1 | Very low | 31.7 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | 52.8 | 107.8 | 150.7 | -106 | 0 | 0 | 0 | 0 | 123.5 | | |
| 781 | N | 25.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | | 18.2 | 99.3 | 122.7 | -163.3 | 23.3 | 0 | 0 | 0 | 119 | | |
| 782 | M | 29.5 | Very low | 31.7 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | | | trans | -141 | 115.5 | 141.9 | -82.2 | -142.5 | -136.1 | 0 | 0 | 108.8 | | |
| 783 | G | 25 | Very low | 31.7 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | | | trans | -65.2 | 146.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R785 | G783-R785 PolarHBondContact O-N 3.33Š|
| 784 | P | 47 | Very low | 31.7 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -76.8 | 94.8 | 169.4 | 29 | -29 | 0 | 0 | 0 | 109.2 | | |
| 785 | R | 31.3 | Very low | 31.3 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -82.2 | 141.3 | 154 | -90.5 | -155.1 | 174.3 | -141.7 | 0.8 | 109.1 | G783 | G783-R785 PolarHBondContact O-N 3.33Š|
| 786 | M | 30.9 | Very low | 31 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | | | trans | 90.5 | 101.1 | 163.6 | -69.9 | -178 | -87.6 | 0 | 0 | 118.2 | G788 | M786-G788 PolarHBondContact O-N 3.19Š|
| 787 | N | 29.7 | Very low | 30.3 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | | | | -5.6 | 110.1 | 126.3 | -90.9 | -13 | 0 | 0 | 0 | 113.9 | | |
| 788 | G | 28.2 | Very low | 30.1 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | | | trans | -147.1 | 90.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | M786 V790 | M786-G788 PolarHBondContact O-N 3.19Å; G788-V790 VanDerWaalsContact C-N 3.34Å; G788-V790 PolarHBondContact O-N 2.9Å |
| 789 | V | 32.1 | Very low | 30.2 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | | | trans | -61.2 | 102 | 157 | 171.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 790 | V | 33 | Very low | 30.1 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | | | trans | -112.9 | 101 | 166 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | G788 T792 | G788-V790 VanDerWaalsContact C-N 3.34Å; G788-V790 PolarHBondContact O-N 2.9Å; V790-T792 PolarHBondContact O-N 2.95Å |
| 791 | M | 31.3 | Very low | 30.4 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | | | trans | -54.9 | 128.3 | 160.5 | -71.8 | -150.6 | -158.7 | 0 | 0 | 109.2 | | |
| 792 | T | 35.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -130.8 | 121.3 | 157.1 | -28.6 | 0 | 0 | 0 | 0 | 108.4 | V790 | V790-T792 PolarHBondContact O-N 2.95Š|
| 793 | A | 28.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | -72.1 | 138 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 794 | A | 34.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | | | trans | -133.1 | 112.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 104.4 | | |
| 795 | G | 24.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | cis | 97 | 75.2 | 41.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 796 | G | 29.2 | Very low | 30.7 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | 178.9 | 85.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 797 | G | 26.8 | Very low | 30.5 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | 47.4 | 112.5 | 139.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 798 | G | 24.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 94% | 0.938 | 82% | 0.82 | S | S | * | * | | | trans | -61.1 | 134.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 799 | G | 28.1 | Very low | 30.6 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | -131.5 | 113.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 800 | R | 28.7 | Very low | 30.7 | Very low | 241 Ų | 241 | 125.5 Ų | 125.5 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -72.1 | 123.7 | 174.9 | -76.9 | 177.9 | 163.3 | -160.6 | -3.5 | 110.1 | | |
| 801 | M | 33.9 | Very low | 30.8 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | | | trans | 67 | 163 | 149.7 | -57.5 | -71.4 | -82.2 | 0 | 0 | 117.5 | | |
| 802 | P | 41 | Very low | 31.2 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | cis | -123.9 | 156.1 | -6.7 | 30.9 | -12.3 | 0 | 0 | 0 | 113.5 | P804 | P802-P804 WeakPolarHBondContact O-CD 3.31Š|
| 803 | G | 25.4 | Very low | 31.3 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | trans | -70.9 | 130.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 804 | P | 37 | Very low | 32 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -90.8 | 112.3 | 161.9 | 31.7 | -23.9 | 0 | 0 | 0 | 109.1 | P802 | P802-P804 WeakPolarHBondContact O-CD 3.31Š|
| 805 | Y | 29.6 | Very low | 32.4 | Very low | 229 Ų | 229 | 121.8 Ų | 121.8 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | 26.6 | 105 | 141.9 | -79.9 | -96.4 | 0 | 0 | 0 | 117.7 | Q807 | Y805-Q807 PolarHBondContact O-N 2.96Š|
| 806 | V | 32.6 | Very low | 33.4 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | -54.9 | 103.9 | 157.1 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 807 | Q | 25.9 | Very low | 34.3 | Very low | 176 Ų | 176 | 124 Ų | 124 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -71 | 137.5 | 165 | -151.4 | 177.8 | 44.2 | 0 | 0 | 107.5 | Y805 G809 | Y805-Q807 PolarHBondContact O-N 2.96Å; Q807-G809 PolarHBondContact O-N 3.05Å |
| 808 | P | 31 | Very low | 35.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -63 | 96.7 | -178.4 | -17.9 | 30 | 0 | 0 | 0 | 110.2 | V810 | P808-V810 PolarHBondContact O-N 2.8Š|
| 809 | G | 29.2 | Very low | 36.4 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | | | trans | -64 | 122.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q807 L811 | Q807-G809 PolarHBondContact O-N 3.05Å; G809-L811 PolarHBondContact O-N 2.96Å |
| 810 | V | 34.1 | Very low | 37.8 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | trans | -16.7 | 115.1 | 158.2 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | P808 | P808-V810 PolarHBondContact O-N 2.8Š|
| 811 | L | 35.8 | Very low | 39.2 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | | | trans | -50.1 | 127.8 | 173 | -85.4 | 88.5 | 0 | 0 | 0 | 108.6 | G809 N813 | G809-L811 PolarHBondContact O-N 2.96Å; L811-N813 PolarHBondContact O-N 2.95Å; L811-N813 VanDerWaalsContact O-N 3.12Å |
| 812 | P | 38.4 | Very low | 40 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | | | trans | -59.8 | 122.3 | 179.9 | 22.5 | -30.9 | 0 | 0 | 0 | 109 | N814 | P812-N814 PolarHBondContact O-N 3.1Š|
| 813 | N | 38.1 | Very low | 41 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | trans | -57 | 103.9 | 175 | -176 | 1.4 | 0 | 0 | 0 | 109 | L811 G815 A816 | L811-N813 PolarHBondContact O-N 2.95Å; L811-N813 VanDerWaalsContact O-N 3.12Å; N813-G815 PolarHBondContact O-N 3.27Å; N813-G815 PolarHBondContact OD1-N 2.92Å; N813-A816 PolarHBondContact O-N 3.41Å |
| 814 | N | 43.7 | Very low | 43.1 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -2.3 | 177.1 | -88 | -27.7 | 0 | 0 | 0 | 113.9 | P812 R818 | P812-N814 PolarHBondContact O-N 3.1Å; N814-R818 PolarHBondContact O-N 3.27Å |
| 815 | G | 42.9 | Very low | 44.2 | Very low | 32 Ų | 32 | 122.6 Ų | 122.6 | 33% | 0.33 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -58.9 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N813 M817 R818 E819 | N813-G815 PolarHBondContact O-N 3.27Å; N813-G815 PolarHBondContact OD1-N 2.92Å; G815-M817 PolarHBondContact O-N 2.91Å; G815-R818 PolarHBondContact O-N 3.12Å; G815-E819 PolarHBondContact O-N 3.46Å |
| 816 | A | 45.3 | Very low | 45.9 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.5 | -35.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N813 S820 | N813-A816 PolarHBondContact O-N 3.41Å; A816-S820 WeakPolarHBondContact O-CB 2.88Å; A816-S820 PolarHBondContact O-N 3.12Å; A816-S820 PolarHBondContact O-OG 3.09Å |
| 817 | M | 47.7 | Very low | 47.3 | Very low | 142 Ų | 142 | 116.2 Ų | 116.2 | 70% | 0.7 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.7 | -34.9 | 174.9 | -69.6 | -127.3 | -70.9 | 0 | 0 | 111.8 | G815 A821 | G815-M817 PolarHBondContact O-N 2.91Å; M817-A821 PolarHBondContact O-N 2.99Å; M817-A821 VanDerWaalsContact O-N 3.13Å |
| 818 | R | 52.1 | Low | 48.8 | Very low | 187 Ų | 187 | 112.4 Ų | 112.4 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -46.2 | 176.5 | -118.5 | -177.3 | -172 | -170.2 | 2.6 | 111.6 | N814 G815 S820 A821 Y822 | N814-R818 PolarHBondContact O-N 3.27Å; G815-R818 PolarHBondContact O-N 3.12Å; R818-S820 VanDerWaalsContact C-N 3.33Å; R818-S820 PolarHBondContact O-N 3.1Å; R818-A821 PolarHBondContact O-N 3.03Å; R818-Y822 VanDerWaalsContact O-CD2 3.32Å; R818-Y822 WeakPolarHBondContact O-CD2 2.93Å; R818-Y822 PolarHBondContact O-N 3.4Å; R818-Y822 VanDerWaalsContact O-N 3.15Å |
| 819 | E | 43 | Very low | 50.2 | Low | 142 Ų | 142 | 111.9 Ų | 111.9 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -38.6 | -179.5 | -166 | 155.3 | -164.9 | 0 | 0 | 111.7 | G815 A821 Y822 Q823 | G815-E819 PolarHBondContact O-N 3.46Å; E819-A821 PolarHBondContact O-N 3.09Å; E819-Y822 PolarHBondContact O-N 3.27Å; E819-Q823 WeakPolarHBondContact O-CB 3.17Å; E819-Q823 PolarHBondContact O-N 3.39Å |
| 820 | S | 58.8 | Low | 51.5 | Low | 72 Ų | 72 | 112.5 Ų | 112.5 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.2 | -40.1 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | A816 R818 Q823 A824 | A816-S820 WeakPolarHBondContact O-CB 2.88Å; A816-S820 PolarHBondContact O-N 3.12Å; A816-S820 PolarHBondContact O-OG 3.09Å; R818-S820 VanDerWaalsContact C-N 3.33Å; R818-S820 PolarHBondContact O-N 3.1Å; S820-Q823 PolarHBondContact O-N 3.47Å; S820-A824 WeakPolarHBondContact O-CB 2.7Å; S820-A824 PolarHBondContact O-N 3.14Å |
| 821 | A | 57.2 | Low | 52.5 | Low | 60 Ų | 60 | 111 Ų | 111 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M817 R818 E819 A824 Q825 | M817-A821 PolarHBondContact O-N 2.99Å; M817-A821 VanDerWaalsContact O-N 3.13Å; R818-A821 PolarHBondContact O-N 3.03Å; E819-A821 PolarHBondContact O-N 3.09Å; A821-A824 PolarHBondContact O-N 3.33Å; A821-Q825 WeakPolarHBondContact O-CB 3.46Å; A821-Q825 PolarHBondContact O-N 3.01Å |
| 822 | Y | 50.7 | Low | 53.2 | Low | 160 Ų | 160 | 109.2 Ų | 109.2 | 63% | 0.627 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 175.2 | -85.7 | -72.5 | 0 | 0 | 0 | 112.1 | R818 E819 Q825 F826 | R818-Y822 VanDerWaalsContact O-CD2 3.32Å; R818-Y822 WeakPolarHBondContact O-CD2 2.93Å; R818-Y822 PolarHBondContact O-N 3.4Å; R818-Y822 VanDerWaalsContact O-N 3.15Å; E819-Y822 PolarHBondContact O-N 3.27Å; Y822-Q825 PolarHBondContact O-N 2.9Å; Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.11Å |
| 823 | Q | 62.5 | Low | 53.9 | Low | 137 Ų | 137 | 107.9 Ų | 107.9 | 64% | 0.64 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | -179.6 | -158.8 | 165.6 | 44.6 | 0 | 0 | 111.7 | E819 S820 F826 Q827 | E819-Q823 WeakPolarHBondContact O-CB 3.17Å; E819-Q823 PolarHBondContact O-N 3.39Å; S820-Q823 PolarHBondContact O-N 3.47Å; Q823-F826 PolarHBondContact O-N 3.13Å; Q823-Q827 PolarHBondContact O-N 3.03Å |
| 824 | A | 68.9 | Low | 54.4 | Low | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S820 A821 Q827 N828 | S820-A824 WeakPolarHBondContact O-CB 2.7Å; S820-A824 PolarHBondContact O-N 3.14Å; A821-A824 PolarHBondContact O-N 3.33Å; A824-Q827 PolarHBondContact O-N 3.13Å; A824-N828 PolarHBondContact O-N 3.06Å |
| 825 | Q | 59.8 | Low | 54.5 | Low | 116 Ų | 116 | 107 Ų | 107 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 179.2 | -153.8 | 179.9 | 9.8 | 0 | 0 | 111.9 | A821 Y822 N828 F829 | A821-Q825 WeakPolarHBondContact O-CB 3.46Å; A821-Q825 PolarHBondContact O-N 3.01Å; Y822-Q825 PolarHBondContact O-N 2.9Å; Q825-N828 PolarHBondContact O-N 3.37Å; Q825-F829 PolarHBondContact O-N 3.41Å |
| 826 | F | 66.9 | Low | 54.7 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -40.6 | 174.9 | -171.6 | -103.5 | 0 | 0 | 0 | 112.3 | Y822 Q823 N828 F829 Q830 | Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.11Å; Q823-F826 PolarHBondContact O-N 3.13Å; F826-N828 VanDerWaalsContact C-N 3.31Å; F826-N828 PolarHBondContact O-N 3.3Å; F826-F829 PolarHBondContact O-N 2.86Å; F826-Q830 HydrophobicContact CD1-CG 4.4Å; F826-Q830 HydrophobicContact CE1-CG 4.08Å; F826-Q830 VanDerWaalsContact CE1-NE2 3.27Å; F826-Q830 HydrophobicContact CZ-CG 4.37Å; F826-Q830 PolarHBondContact O-N 3.48Å |
| 827 | Q | 61 | Low | 54.3 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.6 | -39.4 | 174.4 | -125.4 | -175.8 | 45.5 | 0 | 0 | 111.9 | Q823 A824 Q830 Q831 | Q823-Q827 PolarHBondContact O-N 3.03Å; A824-Q827 PolarHBondContact O-N 3.13Å; Q827-Q830 PolarHBondContact O-N 2.77Å; Q827-Q831 PolarHBondContact O-N 2.77Å |
| 828 | N | 57.7 | Low | 54 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 176.6 | -134.2 | -80 | 0 | 0 | 0 | 111.7 | A824 Q825 F826 Q831 Q832 | A824-N828 PolarHBondContact O-N 3.06Å; Q825-N828 PolarHBondContact O-N 3.37Å; F826-N828 VanDerWaalsContact C-N 3.31Å; F826-N828 PolarHBondContact O-N 3.3Å; N828-Q831 PolarHBondContact O-N 3.34Å; N828-Q832 PolarHBondContact O-N 3.41Å |
| 829 | F | 60.6 | Low | 53.3 | Low | 116 Ų | 116 | 112.1 Ų | 112.1 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 174.9 | -177.7 | -105.6 | 0 | 0 | 0 | 112.1 | Q825 F826 Q831 Q832 L833 | Q825-F829 PolarHBondContact O-N 3.41Å; F826-F829 PolarHBondContact O-N 2.86Å; F829-Q831 PolarHBondContact O-N 2.67Å; F829-Q832 PolarHBondContact O-N 2.9Å; F829-L833 HydrophobicContact CD1-CD1 4.01Å; F829-L833 HydrophobicContact CE1-CD1 3.51Å; F829-L833 HydrophobicContact CE1-CG 4.3Å; F829-L833 HydrophobicContact CZ-CD1 3.93Å; F829-L833 HydrophobicContact CZ-CG 4.35Å; F829-L833 PolarHBondContact O-N 3.49Å; F829-L833 VanDerWaalsContact O-N 3.11Å |
| 830 | Q | 57.2 | Low | 52.9 | Low | 80 Ų | 80 | 115 Ų | 115 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -42.4 | 174.3 | -73.5 | -162.2 | -17.9 | 0 | 0 | 111.9 | F826 Q827 Q832 L833 Y834 | F826-Q830 HydrophobicContact CD1-CG 4.4Å; F826-Q830 HydrophobicContact CE1-CG 4.08Å; F826-Q830 VanDerWaalsContact CE1-NE2 3.27Å; F826-Q830 HydrophobicContact CZ-CG 4.37Å; F826-Q830 PolarHBondContact O-N 3.48Å; Q827-Q830 PolarHBondContact O-N 2.77Å; Q830-Q832 VanDerWaalsContact C-N 3.35Å; Q830-Q832 PolarHBondContact O-N 3.04Å; Q830-L833 PolarHBondContact O-N 2.82Å; Q830-Y834 WeakPolarHBondContact O-CD2 3.15Å; Q830-Y834 PolarHBondContact O-N 3.47Å |
| 831 | Q | 53.6 | Low | 51.9 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64 | -36.8 | 176.4 | -77.9 | -175.9 | 39 | 0 | 0 | 112.9 | Q827 N828 F829 L833 Y834 A835 | Q827-Q831 PolarHBondContact O-N 2.77Å; N828-Q831 PolarHBondContact O-N 3.34Å; F829-Q831 PolarHBondContact O-N 2.67Å; Q831-L833 VanDerWaalsContact C-N 3.32Å; Q831-L833 PolarHBondContact O-N 3.29Å; Q831-Y834 PolarHBondContact O-N 3.23Å; Q831-A835 WeakPolarHBondContact O-CB 3.03Å; Q831-A835 PolarHBondContact O-N 3.15Å |
| 832 | Q | 50.8 | Low | 50.9 | Low | 119 Ų | 119 | 120.4 Ų | 120.4 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.7 | -39.8 | 173.3 | -74.4 | -179.1 | 16.4 | 0 | 0 | 111.9 | N828 F829 Q830 A835 T836 | N828-Q832 PolarHBondContact O-N 3.41Å; F829-Q832 PolarHBondContact O-N 2.9Å; Q830-Q832 VanDerWaalsContact C-N 3.35Å; Q830-Q832 PolarHBondContact O-N 3.04Å; Q832-A835 PolarHBondContact O-N 2.75Å; Q832-T836 PolarHBondContact O-N 3.09Å; Q832-T836 PolarHBondContact O-OG1 3.02Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å |
| 833 | L | 54.5 | Low | 50.1 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.6 | -40.1 | 174.5 | -70.8 | 173 | 0 | 0 | 0 | 112.1 | F829 Q830 Q831 T836 N837 | F829-L833 HydrophobicContact CD1-CD1 4.01Å; F829-L833 HydrophobicContact CE1-CD1 3.51Å; F829-L833 HydrophobicContact CE1-CG 4.3Å; F829-L833 HydrophobicContact CZ-CD1 3.93Å; F829-L833 HydrophobicContact CZ-CG 4.35Å; F829-L833 PolarHBondContact O-N 3.49Å; F829-L833 VanDerWaalsContact O-N 3.11Å; Q830-L833 PolarHBondContact O-N 2.82Å; Q831-L833 VanDerWaalsContact C-N 3.32Å; Q831-L833 PolarHBondContact O-N 3.29Å; L833-T836 PolarHBondContact O-N 2.94Å; L833-T836 PolarHBondContact O-OG1 3.14Å; L833-N837 PolarHBondContact O-N 3.14Å; L833-N837 VanDerWaalsContact O-N 3.14Å; L833-N837 PolarHBondContact O-ND2 3.07Å; L833-N837 VanDerWaalsContact O-ND2 3.12Å |
| 834 | Y | 47.1 | Very low | 48.9 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.8 | -40.4 | 174.2 | -77.2 | -67.9 | 0 | 0 | 0 | 112.3 | Q830 Q831 T836 N837 V838 | Q830-Y834 WeakPolarHBondContact O-CD2 3.15Å; Q830-Y834 PolarHBondContact O-N 3.47Å; Q831-Y834 PolarHBondContact O-N 3.23Å; Y834-T836 PolarHBondContact O-N 2.88Å; Y834-N837 PolarHBondContact O-N 2.77Å; Y834-V838 WeakPolarHBondContact O-CG2 2.97Å; Y834-V838 PolarHBondContact O-N 3.23Å |
| 835 | A | 45.5 | Very low | 47.3 | Very low | 76 Ų | 76 | 122 Ų | 122 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q831 Q832 | Q831-A835 WeakPolarHBondContact O-CB 3.03Å; Q831-A835 PolarHBondContact O-N 3.15Å; Q832-A835 PolarHBondContact O-N 2.75Å |
| 836 | T | 46.9 | Very low | 46.3 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.8 | -25 | 174.6 | 53 | 0 | 0 | 0 | 0 | 114 | Q832 L833 Y834 | Q832-T836 PolarHBondContact O-N 3.09Å; Q832-T836 PolarHBondContact O-OG1 3.02Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å; L833-T836 PolarHBondContact O-N 2.94Å; L833-T836 PolarHBondContact O-OG1 3.14Å; Y834-T836 PolarHBondContact O-N 2.88Å |
| 837 | N | 38.6 | Very low | 45.3 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.9 | -12.5 | 178.3 | -83.9 | -50.4 | 0 | 0 | 0 | 114.2 | L833 Y834 | L833-N837 PolarHBondContact O-N 3.14Å; L833-N837 VanDerWaalsContact O-N 3.14Å; L833-N837 PolarHBondContact O-ND2 3.07Å; L833-N837 VanDerWaalsContact O-ND2 3.12Å; Y834-N837 PolarHBondContact O-N 2.77Å |
| 838 | V | 40.7 | Very low | 44.4 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -105.8 | 67.7 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | Y834 | Y834-V838 WeakPolarHBondContact O-CG2 2.97Å; Y834-V838 PolarHBondContact O-N 3.23Å |
| 839 | R | 37.1 | Very low | 43.7 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | | | trans | -168 | 74.8 | 151.5 | -106.6 | 172.2 | -164 | 179.4 | 10.7 | 109.9 | P841 | R839-P841 WeakPolarHBondContact O-CD 3.39Š|
| 840 | R | 34.4 | Very low | 42.7 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | | | trans | -77.8 | 108.3 | 148.1 | -89.2 | -175 | 175.7 | 159 | 2.4 | 107 | E842 | R840-E842 HydrophobicContact CB-CG 4.45Å; R840-E842 PolarHBondContact O-N 3.01Å |
| 841 | P | 39.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | | | trans | -70.9 | 94 | 156.7 | 27.2 | -28.5 | 0 | 0 | 0 | 107 | R839 S843 | R839-P841 WeakPolarHBondContact O-CD 3.39Å; P841-S843 PolarHBondContact O-N 3.25Å |
| 842 | E | 34.6 | Very low | 41 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -73.8 | 93.5 | 156.1 | -65.3 | -138.1 | 151.4 | 0 | 0 | 107.3 | R840 | R840-E842 HydrophobicContact CB-CG 4.45Å; R840-E842 PolarHBondContact O-N 3.01Å |
| 843 | S | 34.7 | Very low | 40.3 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | trans | 168.9 | 103.1 | 156 | 32.9 | 0 | 0 | 0 | 0 | 108.6 | P841 | P841-S843 PolarHBondContact O-N 3.25Š|
| 844 | N | 37.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -163.6 | 68.3 | 133.6 | -92.4 | -17.2 | 0 | 0 | 0 | 105.4 | A846 | N844-A846 PolarHBondContact O-N 3.35Š|
| 845 | S | 36.1 | Very low | 38.6 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -75 | 104.6 | 150.7 | -50.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 846 | A | 37.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 100% | 1.405 | 78% | 0.784 | S | S | * | * | | | trans | -125.9 | 0 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | N844 | N844-A846 PolarHBondContact O-N 3.35Š|