| 1 | M | 63.5 | Low | 71.3 | Confident | 212 Ų | 212 | 139.1 Ų | 139.1 | 100% | 1.044 | 69% | 0.686 | S | S | * | * | | | | 0 | -51.9 | 0 | -68.8 | -176.7 | 177.7 | 0 | 0 | 113.3 | S3 C4 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.86Å; M1-C4 PolarHBondContact O-N 3.1Å |
| 2 | F | 65.8 | Low | 71.8 | Confident | 182 Ų | 182 | 129.4 Ų | 129.4 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -57.6 | -32.9 | -175.1 | -68.7 | -75.3 | 0 | 0 | 0 | 116.3 | C4 R5 A6 | F2-C4 VanDerWaalsContact C-N 3.31Å; F2-C4 PolarHBondContact O-N 2.85Å; F2-R5 PolarHBondContact O-N 3.17Å; F2-R5 VanDerWaalsContact O-N 3.16Å; F2-A6 PolarHBondContact O-N 2.83Å |
| 3 | S | 70.8 | Confident | 72 | Confident | 90 Ų | 90 | 125.5 Ų | 125.5 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.5 | -39.6 | 176.8 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | M1 R5 A6 A7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.86Å; S3-R5 PolarHBondContact O-N 3.34Å; S3-A6 PolarHBondContact O-N 3.32Å; S3-A7 PolarHBondContact O-N 3.18Å |
| 4 | C | 71 | Confident | 71.7 | Confident | 82 Ų | 82 | 124.9 Ų | 124.9 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66 | -37.6 | 178 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | M1 F2 A7 W8 | M1-C4 PolarHBondContact O-N 3.1Å; F2-C4 VanDerWaalsContact C-N 3.31Å; F2-C4 PolarHBondContact O-N 2.85Å; C4-A7 PolarHBondContact O-N 3.21Å; C4-W8 WeakPolarHBondContact O-CB 3.35Å; C4-W8 PolarHBondContact O-N 3.09Å |
| 5 | R | 76 | Confident | 71.5 | Confident | 197 Ų | 197 | 120.4 Ų | 120.4 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 174.8 | -74.7 | -167.9 | 174.9 | -155.9 | -0.7 | 111.6 | F2 S3 W8 Q9 | F2-R5 PolarHBondContact O-N 3.17Å; F2-R5 VanDerWaalsContact O-N 3.16Å; S3-R5 PolarHBondContact O-N 3.34Å; R5-W8 PolarHBondContact O-N 3.01Å; R5-Q9 WeakPolarHBondContact O-CG 3.16Å; R5-Q9 PolarHBondContact O-N 3.2Å |
| 6 | A | 74.6 | Confident | 71.1 | Confident | 63 Ų | 63 | 124.2 Ų | 124.2 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.2 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F2 S3 | F2-A6 PolarHBondContact O-N 2.83Å; S3-A6 PolarHBondContact O-N 3.32Å |
| 7 | A | 74.9 | Confident | 70.6 | Confident | 51 Ų | 51 | 127.9 Ų | 127.9 | 42% | 0.421 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.1 | -48 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S3 C4 Q9 R10 C11 | S3-A7 PolarHBondContact O-N 3.18Å; C4-A7 PolarHBondContact O-N 3.21Å; A7-Q9 VanDerWaalsContact C-N 3.32Å; A7-Q9 PolarHBondContact O-N 2.91Å; A7-R10 PolarHBondContact O-N 3Å; A7-C11 PolarHBondContact O-N 3.4Å |
| 8 | W | 68.8 | Low | 70.1 | Confident | 206 Ų | 206 | 123.8 Ų | 123.8 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.2 | -37.3 | 178.1 | -99.7 | 67 | 0 | 0 | 0 | 113.4 | C4 R5 R10 C11 G12 | C4-W8 WeakPolarHBondContact O-CB 3.35Å; C4-W8 PolarHBondContact O-N 3.09Å; R5-W8 PolarHBondContact O-N 3.01Å; W8-R10 PolarHBondContact O-N 3.28Å; W8-C11 PolarHBondContact O-N 2.92Å; W8-G12 PolarHBondContact O-N 3.22Å |
| 9 | Q | 77.1 | Confident | 69.5 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.8 | -24.2 | 174.5 | -73.2 | -69 | -4.5 | 0 | 0 | 113.5 | R5 A7 | R5-Q9 WeakPolarHBondContact O-CG 3.16Å; R5-Q9 PolarHBondContact O-N 3.2Å; A7-Q9 VanDerWaalsContact C-N 3.32Å; A7-Q9 PolarHBondContact O-N 2.91Å |
| 10 | R | 72.1 | Confident | 68.9 | Low | 213 Ų | 213 | 126 Ų | 126 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.1 | -33.2 | 174 | -68.4 | -175 | 176.5 | -167.9 | -1.5 | 113.1 | A7 W8 | A7-R10 PolarHBondContact O-N 3Å; W8-R10 PolarHBondContact O-N 3.28Å |
| 11 | C | 69.9 | Low | 68.3 | Low | 77 Ų | 77 | 130.3 Ų | 130.3 | 52% | 0.52 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -85.4 | -26.5 | 179.9 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | A7 W8 L14 A15 | A7-C11 PolarHBondContact O-N 3.4Å; W8-C11 PolarHBondContact O-N 2.92Å; C11-L14 WeakPolarHBondContact O-CB 3.4Å; C11-L14 PolarHBondContact O-N 3.41Å; C11-A15 PolarHBondContact O-N 3.14Å |
| 12 | G | 77.1 | Confident | 67.8 | Low | 23 Ų | 23 | 126.1 Ų | 126.1 | 24% | 0.237 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -53.1 | -43.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W8 L14 A15 R16 | W8-G12 PolarHBondContact O-N 3.22Å; G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 2.97Å; G12-A15 PolarHBondContact O-N 2.89Å; G12-R16 WeakPolarHBondContact O-CG 3.29Å; G12-R16 PolarHBondContact O-N 3.16Å |
| 13 | P | 74.2 | Confident | 67.4 | Low | 78 Ų | 78 | 121.7 Ų | 121.7 | 51% | 0.506 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.3 | -31.8 | 175.3 | -24.3 | 35.4 | 0 | 0 | 0 | 113.7 | R17 | P13-R17 WeakPolarHBondContact O-CG 3.47Å; P13-R17 PolarHBondContact O-N 3.34Å; P13-R17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 68.3 | Low | 66.7 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.9 | -40.7 | 177 | -63.4 | 176.7 | 0 | 0 | 0 | 111.3 | C11 G12 R16 R17 A18 | C11-L14 WeakPolarHBondContact O-CB 3.4Å; C11-L14 PolarHBondContact O-N 3.41Å; G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 2.97Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 3.01Å; L14-R17 PolarHBondContact O-N 3.44Å; L14-A18 PolarHBondContact O-N 3.06Å |
| 15 | A | 67.8 | Low | 65.7 | Low | 58 Ų | 58 | 127.6 Ų | 127.6 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.3 | -44.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C11 G12 A18 T19 | C11-A15 PolarHBondContact O-N 3.14Å; G12-A15 PolarHBondContact O-N 2.89Å; A15-A18 WeakPolarHBondContact O-CB 3.29Å; A15-A18 PolarHBondContact O-N 3.29Å; A15-T19 PolarHBondContact O-N 3.16Å; A15-T19 PolarHBondContact O-OG1 3.33Å |
| 16 | R | 65.7 | Low | 64.8 | Low | 181 Ų | 181 | 121.3 Ų | 121.3 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.6 | -40.6 | 174.3 | -71.7 | 179.5 | -178.9 | -141.5 | -2.8 | 112.6 | G12 L14 A18 T19 Y20 | G12-R16 WeakPolarHBondContact O-CG 3.29Å; G12-R16 PolarHBondContact O-N 3.16Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 3.01Å; R16-A18 VanDerWaalsContact C-N 3.29Å; R16-A18 PolarHBondContact O-N 3.19Å; R16-T19 WeakPolarHBondContact CA-OG1 3.45Å; R16-T19 PolarHBondContact O-N 2.96Å; R16-T19 PolarHBondContact O-OG1 3Å; R16-Y20 WeakPolarHBondContact O-CD2 3.5Å; R16-Y20 PolarHBondContact O-N 3.48Å |
| 17 | R | 62.2 | Low | 63.9 | Low | 187 Ų | 187 | 123.5 Ų | 123.5 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -31.2 | 173.6 | -80.4 | -178.1 | 173.9 | 178.9 | -1.6 | 112.7 | P13 L14 R21 | P13-R17 WeakPolarHBondContact O-CG 3.47Å; P13-R17 PolarHBondContact O-N 3.34Å; P13-R17 VanDerWaalsContact O-N 3.08Å; L14-R17 PolarHBondContact O-N 3.44Å; R17-R21 VanDerWaalsContact O-CB 3.24Å; R17-R21 WeakPolarHBondContact O-CB 3.44Å; R17-R21 WeakPolarHBondContact O-CG 3.36Å; R17-R21 PolarHBondContact O-N 3.38Å |
| 18 | A | 61.3 | Low | 62.8 | Low | 55 Ų | 55 | 129.8 Ų | 129.8 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.6 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L14 A15 R16 Y20 R21 L22 | L14-A18 PolarHBondContact O-N 3.06Å; A15-A18 WeakPolarHBondContact O-CB 3.29Å; A15-A18 PolarHBondContact O-N 3.29Å; R16-A18 VanDerWaalsContact C-N 3.29Å; R16-A18 PolarHBondContact O-N 3.19Å; A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.5Å; A18-R21 CarbonylContact O-C 3.58Å; A18-R21 WeakPolarHBondContact O-CA 3.33Å; A18-R21 PolarHBondContact O-N 3.49Å; A18-L22 PolarHBondContact O-N 3.09Å |
| 19 | T | 59.3 | Low | 62.2 | Low | 92 Ų | 92 | 130.9 Ų | 130.9 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.8 | -28.3 | 176.1 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | A15 R16 R21 | A15-T19 PolarHBondContact O-N 3.16Å; A15-T19 PolarHBondContact O-OG1 3.33Å; R16-T19 WeakPolarHBondContact CA-OG1 3.45Å; R16-T19 PolarHBondContact O-N 2.96Å; R16-T19 PolarHBondContact O-OG1 3Å; T19-R21 VanDerWaalsContact C-N 3.3Å |
| 20 | Y | 57.5 | Low | 61.4 | Low | 199 Ų | 199 | 132.9 Ų | 132.9 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 8.9 | 168.8 | -65.5 | -58.9 | 0 | 0 | 0 | 114 | R16 A18 | R16-Y20 WeakPolarHBondContact O-CD2 3.5Å; R16-Y20 PolarHBondContact O-N 3.48Å; A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.5Å |
| 21 | R | 56.8 | Low | 60.6 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | -7.1 | 176 | -84.7 | -72.1 | -172.3 | 146.8 | -2.9 | 114.5 | R17 A18 T19 | R17-R21 VanDerWaalsContact O-CB 3.24Å; R17-R21 WeakPolarHBondContact O-CB 3.44Å; R17-R21 WeakPolarHBondContact O-CG 3.36Å; R17-R21 PolarHBondContact O-N 3.38Å; A18-R21 CarbonylContact O-C 3.58Å; A18-R21 WeakPolarHBondContact O-CA 3.33Å; A18-R21 PolarHBondContact O-N 3.49Å; T19-R21 VanDerWaalsContact C-N 3.3Å |
| 22 | L | 52.9 | Low | 59.5 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -60 | 126.9 | 154.2 | -73.2 | 170.9 | 0 | 0 | 0 | 107.1 | A18 L24 | A18-L22 PolarHBondContact O-N 3.09Å; L22-L24 PolarHBondContact O-N 3.37Å |
| 23 | P | 56.3 | Low | 58.4 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | | | trans | -57.8 | 127.4 | 167 | -21.5 | 33.5 | 0 | 0 | 0 | 108.6 | D25 | P23-D25 HydrophobicContact CB-CB 4.09Å; P23-D25 WeakPolarHBondContact CB-OD2 3.28Å; P23-D25 PolarHBondContact O-N 2.92Å |
| 24 | L | 55.9 | Low | 57.2 | Low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | | | trans | -76.3 | 65.8 | 154.7 | -79.3 | 164.4 | 0 | 0 | 0 | 107.1 | L22 G26 | L22-L24 PolarHBondContact O-N 3.37Å; L24-G26 PolarHBondContact O-N 3.17Å |
| 25 | D | 50.8 | Low | 56.9 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | | | trans | -72.9 | 52 | 170.8 | -78.2 | -27.6 | 0 | 0 | 0 | 110.1 | P23 V27 | P23-D25 HydrophobicContact CB-CB 4.09Å; P23-D25 WeakPolarHBondContact CB-OD2 3.28Å; P23-D25 PolarHBondContact O-N 2.92Å; D25-V27 HydrophobicContact CB-CG2 4.21Å; D25-V27 PolarHBondContact O-N 3.32Å |
| 26 | G | 57.5 | Low | 56 | Low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | | | trans | -63 | 95.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | L24 Q28 | L24-G26 PolarHBondContact O-N 3.17Å; G26-Q28 VanDerWaalsContact C-N 3.27Å; G26-Q28 PolarHBondContact O-N 3Å |
| 27 | V | 54.8 | Low | 55.6 | Low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.655 | 69% | 0.692 | S | S | * | * | | | trans | -66.4 | 88 | -171 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | D25 R29 | D25-V27 HydrophobicContact CB-CG2 4.21Å; D25-V27 PolarHBondContact O-N 3.32Å; V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.31Å |
| 28 | Q | 53.3 | Low | 55.7 | Low | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | | | trans | -54.5 | 106.4 | 146.8 | -74.2 | -168.6 | -8.1 | 0 | 0 | 105.4 | G26 R30 | G26-Q28 VanDerWaalsContact C-N 3.27Å; G26-Q28 PolarHBondContact O-N 3Å; Q28-R30 PolarHBondContact O-N 2.82Å |
| 29 | R | 54.9 | Low | 55.8 | Low | 229 Ų | 229 | 128.1 Ų | 128.1 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | | | trans | -58.7 | 94 | 169.4 | -78.6 | -176.1 | 171.3 | -168.5 | -0.7 | 106.6 | V27 P31 | V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.31Å; R29-P31 VanDerWaalsContact O-CD 3.22Å; R29-P31 WeakPolarHBondContact O-CD 3.47Å |
| 30 | R | 59.7 | Low | 56 | Low | 199 Ų | 199 | 125.9 Ų | 125.9 | 75% | 0.751 | 70% | 0.7 | S | S | * | * | | | trans | -53.3 | 113 | 177.7 | -174.7 | 178.9 | -166.9 | -112.3 | -0.8 | 106.9 | Q28 M32 | Q28-R30 PolarHBondContact O-N 2.82Å; R30-M32 PolarHBondContact O-N 3.47Å |
| 31 | P | 55.9 | Low | 56.6 | Low | 83 Ų | 83 | 123.3 Ų | 123.3 | 54% | 0.539 | 70% | 0.695 | S | S | . | * | | | trans | -68.6 | 97.8 | -173.9 | 25.7 | -32.5 | 0 | 0 | 0 | 108.2 | R29 S33 S34 | R29-P31 VanDerWaalsContact O-CD 3.22Å; R29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-S33 PolarHBondContact O-N 2.99Å; P31-S34 PolarHBondContact O-N 3.01Å; P31-S34 VanDerWaalsContact O-N 3.11Å; P31-S34 PolarHBondContact O-OG 2.92Å |
| 32 | M | 47.5 | Very low | 57.5 | Low | 171 Ų | 171 | 117.9 Ų | 117.9 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -68.4 | -16.9 | 177.9 | -68.2 | -170 | 175.1 | 0 | 0 | 111.3 | R30 S34 | R30-M32 PolarHBondContact O-N 3.47Å; M32-S34 PolarHBondContact O-N 3.41Å |
| 33 | S | 53.3 | Low | 59 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | | | trans | -70.2 | 38.1 | 158.5 | 52 | 0 | 0 | 0 | 0 | 113.5 | P31 V35 | P31-S33 PolarHBondContact O-N 2.99Å; S33-V35 PolarHBondContact O-N 3.41Å |
| 34 | S | 48.5 | Very low | 60.5 | Low | 81 Ų | 81 | 119.4 Ų | 119.4 | 57% | 0.566 | 68% | 0.684 | S | S | * | * | | | trans | -74.1 | 78.2 | 166.3 | -66 | 0 | 0 | 0 | 0 | 108.5 | P31 M32 P36 | P31-S34 PolarHBondContact O-N 3.01Å; P31-S34 VanDerWaalsContact O-N 3.11Å; P31-S34 PolarHBondContact O-OG 2.92Å; M32-S34 PolarHBondContact O-N 3.41Å; S34-P36 WeakPolarHBondContact O-CD 3.44Å |
| 35 | V | 62.4 | Low | 61.9 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 67% | 0.667 | 67% | 0.671 | S | S | * | * | | | trans | -55.8 | 121.5 | -179.1 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | S33 G37 G38 | S33-V35 PolarHBondContact O-N 3.41Å; V35-G37 PolarHBondContact O-N 3.02Å; V35-G38 PolarHBondContact O-N 3.11Å |
| 36 | P | 50.1 | Low | 63.9 | Low | 136 Ų | 136 | 117.2 Ų | 117.2 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 104.1 | 179.4 | -21.8 | 34.1 | 0 | 0 | 0 | 110.6 | S34 | S34-P36 WeakPolarHBondContact O-CD 3.44Š|
| 37 | G | 57.3 | Low | 65.7 | Low | 41 Ų | 41 | 119 Ų | 119 | 42% | 0.423 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 145.4 | -6.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V35 S39 | V35-G37 PolarHBondContact O-N 3.02Å; G37-S39 VanDerWaalsContact C-N 3.26Å; G37-S39 PolarHBondContact O-N 2.89Å |
| 38 | G | 63.2 | Low | 67.7 | Low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | | | trans | -68.9 | 61.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V35 | V35-G38 PolarHBondContact O-N 3.11Š|
| 39 | S | 63.2 | Low | 69.6 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -137.9 | 75.2 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | G37 Q41 | G37-S39 VanDerWaalsContact C-N 3.26Å; G37-S39 PolarHBondContact O-N 2.89Å; S39-Q41 PolarHBondContact O-N 3.4Å |
| 40 | G | 65.1 | Low | 71.6 | Confident | 45 Ų | 45 | 104.2 Ų | 104.2 | 46% | 0.464 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 72.4 | -35.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N42 I43 L44 | G40-N42 VanDerWaalsContact C-N 3.31Å; G40-N42 PolarHBondContact O-N 3.43Å; G40-I43 WeakPolarHBondContact O-CB 3.42Å; G40-I43 PolarHBondContact O-N 3.42Å; G40-L44 PolarHBondContact O-N 3.06Å |
| 41 | Q | 68.9 | Low | 73.4 | Confident | 145 Ų | 145 | 96.9 Ų | 96.9 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.9 | -34.1 | -173.2 | -69.8 | 175.9 | -28.9 | 0 | 0 | 113.2 | S39 I43 L44 Y45 | S39-Q41 PolarHBondContact O-N 3.4Å; Q41-I43 VanDerWaalsContact C-N 3.26Å; Q41-I43 PolarHBondContact O-N 2.96Å; Q41-L44 PolarHBondContact O-N 2.96Å; Q41-Y45 PolarHBondContact O-N 2.99Å; Q41-Y45 VanDerWaalsContact O-N 3.16Å |
| 42 | N | 75.3 | Confident | 75.4 | Confident | 103 Ų | 103 | 95.9 Ų | 95.9 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.3 | -28.5 | 173.9 | -70.8 | 5.7 | 0 | 0 | 0 | 113.1 | G40 Y45 T46 | G40-N42 VanDerWaalsContact C-N 3.31Å; G40-N42 PolarHBondContact O-N 3.43Å; N42-Y45 PolarHBondContact O-N 3.42Å; N42-T46 PolarHBondContact O-N 3.37Å; N42-T46 PolarHBondContact O-OG1 3.45Å |
| 43 | I | 84.4 | Confident | 77.8 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 59% | 0.585 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.3 | -38.6 | 178.5 | -54.3 | 175.2 | 0 | 0 | 0 | 110 | G40 Q41 Y45 T46 V47 | G40-I43 WeakPolarHBondContact O-CB 3.42Å; G40-I43 PolarHBondContact O-N 3.42Å; Q41-I43 VanDerWaalsContact C-N 3.26Å; Q41-I43 PolarHBondContact O-N 2.96Å; I43-Y45 VanDerWaalsContact C-N 3.28Å; I43-Y45 PolarHBondContact O-N 3.5Å; I43-T46 PolarHBondContact O-N 3.19Å; I43-T46 PolarHBondContact O-OG1 2.91Å; I43-T46 VanDerWaalsContact O-OG1 3.13Å; I43-V47 HydrophobicContact CG2-CG2 4.43Å; I43-V47 WeakPolarHBondContact O-CB 3.47Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 3.38Å |
| 44 | L | 87.9 | Confident | 80 | Confident | 130 Ų | 130 | 92.4 Ų | 92.4 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.7 | -37.2 | 172.2 | -63.3 | 175.9 | 0 | 0 | 0 | 111.2 | G40 Q41 L48 | G40-L44 PolarHBondContact O-N 3.06Å; Q41-L44 PolarHBondContact O-N 2.96Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 PolarHBondContact O-N 3.18Å |
| 45 | Y | 87 | Confident | 82.3 | Confident | 161 Ų | 161 | 90.4 Ų | 90.4 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.1 | -43.7 | 175.7 | -172 | -97.4 | 0 | 0 | 0 | 112.8 | Q41 N42 I43 L48 C49 | Q41-Y45 PolarHBondContact O-N 2.99Å; Q41-Y45 VanDerWaalsContact O-N 3.16Å; N42-Y45 PolarHBondContact O-N 3.42Å; I43-Y45 VanDerWaalsContact C-N 3.28Å; I43-Y45 PolarHBondContact O-N 3.5Å; Y45-L48 PolarHBondContact O-N 2.86Å; Y45-C49 HydrophobicContact CE1-CB 4.42Å; Y45-C49 WeakPolarHBondContact O-CB 3.11Å; Y45-C49 PolarHBondContact O-N 3.08Å |
| 46 | T | 91.8 | Very high | 84 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.2 | -37.9 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | N42 I43 G50 | N42-T46 PolarHBondContact O-N 3.37Å; N42-T46 PolarHBondContact O-OG1 3.45Å; I43-T46 PolarHBondContact O-N 3.19Å; I43-T46 PolarHBondContact O-OG1 2.91Å; I43-T46 VanDerWaalsContact O-OG1 3.13Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 2.95Å |
| 47 | V | 95.5 | Very high | 86.3 | Confident | 101 Ų | 101 | 86.9 Ų | 86.9 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | I43 G51 | I43-V47 HydrophobicContact CG2-CG2 4.43Å; I43-V47 WeakPolarHBondContact O-CB 3.47Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 3.38Å; V47-G51 PolarHBondContact O-N 3.22Å |
| 48 | L | 95.7 | Very high | 88.2 | Confident | 130 Ų | 130 | 88.4 Ų | 88.4 | 68% | 0.681 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -47.9 | 177.8 | -177.3 | 66.8 | 0 | 0 | 0 | 111.9 | L44 Y45 A52 | L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 PolarHBondContact O-N 3.18Å; Y45-L48 PolarHBondContact O-N 2.86Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 3.23Å |
| 49 | C | 94.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.3 | -44.1 | -178 | -164.6 | 0 | 0 | 0 | 0 | 111.5 | Y45 A52 L53 | Y45-C49 HydrophobicContact CE1-CB 4.42Å; Y45-C49 WeakPolarHBondContact O-CB 3.11Å; Y45-C49 PolarHBondContact O-N 3.08Å; C49-A52 PolarHBondContact O-N 3.28Å; C49-L53 WeakPolarHBondContact O-CG 3.48Å; C49-L53 PolarHBondContact O-N 2.73Å |
| 50 | G | 97.3 | Very high | 91.6 | Very high | 31 Ų | 31 | 89.8 Ų | 89.8 | 32% | 0.32 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T46 A52 L53 V54 | T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 2.95Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.84Å; G50-L53 PolarHBondContact O-N 3Å; G50-V54 WeakPolarHBondContact O-CB 3.47Å; G50-V54 WeakPolarHBondContact O-CG2 3.31Å; G50-V54 PolarHBondContact O-N 3.44Å |
| 51 | G | 98 | Very high | 93.1 | Very high | 46 Ų | 46 | 96 Ų | 96 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V47 G55 | V47-G51 PolarHBondContact O-N 3.22Å; G51-G55 PolarHBondContact O-N 3.17Å |
| 52 | A | 97.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 96.5 Ų | 96.5 | 51% | 0.512 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 C49 G50 G55 A56 | L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 3.23Å; C49-A52 PolarHBondContact O-N 3.28Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.84Å; A52-G55 PolarHBondContact O-N 3.45Å; A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 3.03Å |
| 53 | L | 97.8 | Very high | 95.6 | Very high | 104 Ų | 104 | 94.1 Ų | 94.1 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 176.8 | -71.9 | 169.8 | 0 | 0 | 0 | 111.9 | C49 G50 G55 A56 L57 | C49-L53 WeakPolarHBondContact O-CG 3.48Å; C49-L53 PolarHBondContact O-N 2.73Å; G50-L53 PolarHBondContact O-N 3Å; L53-G55 VanDerWaalsContact C-N 3.31Å; L53-G55 PolarHBondContact O-N 3.49Å; L53-A56 PolarHBondContact O-N 3.26Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 2.83Å |
| 54 | V | 98.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 176 | 172 | 0 | 0 | 0 | 0 | 111 | G50 S58 | G50-V54 WeakPolarHBondContact O-CB 3.47Å; G50-V54 WeakPolarHBondContact O-CG2 3.31Å; G50-V54 PolarHBondContact O-N 3.44Å; V54-S58 WeakPolarHBondContact O-CB 3.24Å; V54-S58 PolarHBondContact O-N 3.14Å; V54-S58 PolarHBondContact O-OG 2.95Å |
| 55 | G | 98.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 89.6 Ų | 89.6 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G51 A52 L53 S58 Y59 | G51-G55 PolarHBondContact O-N 3.17Å; A52-G55 PolarHBondContact O-N 3.45Å; L53-G55 VanDerWaalsContact C-N 3.31Å; L53-G55 PolarHBondContact O-N 3.49Å; G55-S58 PolarHBondContact O-N 3.42Å; G55-Y59 WeakPolarHBondContact O-CB 3.5Å; G55-Y59 PolarHBondContact O-N 3.37Å |
| 56 | A | 97.8 | Very high | 97.1 | Very high | 63 Ų | 63 | 85.3 Ų | 85.3 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A52 L53 Y59 G60 | A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 3.03Å; L53-A56 PolarHBondContact O-N 3.26Å; A56-Y59 PolarHBondContact O-N 3.44Å; A56-G60 PolarHBondContact O-N 2.9Å |
| 57 | L | 98.1 | Very high | 97.3 | Very high | 109 Ų | 109 | 84.7 Ų | 84.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -71.5 | 169.9 | 0 | 0 | 0 | 111.6 | L53 Y59 G60 Y61 | L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 2.83Å; L57-Y59 VanDerWaalsContact C-N 3.34Å; L57-Y59 PolarHBondContact O-N 2.94Å; L57-G60 PolarHBondContact O-N 2.98Å; L57-Y61 WeakPolarHBondContact O-CB 3.47Å; L57-Y61 PolarHBondContact O-N 2.93Å |
| 58 | S | 98 | Very high | 97.4 | Very high | 72 Ų | 72 | 85 Ų | 85 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 177 | -60 | 0 | 0 | 0 | 0 | 112.3 | V54 G55 K62 | V54-S58 WeakPolarHBondContact O-CB 3.24Å; V54-S58 PolarHBondContact O-N 3.14Å; V54-S58 PolarHBondContact O-OG 2.95Å; G55-S58 PolarHBondContact O-N 3.42Å; S58-K62 VanDerWaalsContact O-CB 3.31Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 2.97Å; S58-K62 VanDerWaalsContact O-N 3.1Å |
| 59 | Y | 98 | Very high | 97.5 | Very high | 168 Ų | 168 | 83 Ų | 83 | 66% | 0.659 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68 | -48.1 | 174.9 | 179.9 | -100.2 | 0 | 0 | 0 | 111.4 | G55 A56 L57 K62 T63 | G55-Y59 WeakPolarHBondContact O-CB 3.5Å; G55-Y59 PolarHBondContact O-N 3.37Å; A56-Y59 PolarHBondContact O-N 3.44Å; L57-Y59 VanDerWaalsContact C-N 3.34Å; L57-Y59 PolarHBondContact O-N 2.94Å; Y59-K62 PolarHBondContact O-N 3.43Å; Y59-T63 HydrophobicContact CD1-CG2 4.27Å; Y59-T63 HydrophobicContact CD2-CG2 4.39Å; Y59-T63 HydrophobicContact CE1-CG2 3.81Å; Y59-T63 HydrophobicContact CE2-CG2 3.95Å; Y59-T63 WeakPolarHBondContact O-CG2 3.38Å; Y59-T63 PolarHBondContact O-N 3.5Å; Y59-T63 PolarHBondContact O-OG1 2.98Å |
| 60 | G | 98.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 87.1 Ų | 87.1 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A56 L57 K62 T63 V64 | A56-G60 PolarHBondContact O-N 2.9Å; L57-G60 PolarHBondContact O-N 2.98Å; G60-K62 PolarHBondContact O-N 3.46Å; G60-T63 PolarHBondContact O-N 3.34Å; G60-T63 PolarHBondContact O-OG1 3.28Å; G60-V64 WeakPolarHBondContact O-CB 3.33Å; G60-V64 VanDerWaalsContact O-CG2 3.24Å; G60-V64 WeakPolarHBondContact O-CG2 3.46Å; G60-V64 PolarHBondContact O-N 3.16Å |
| 61 | Y | 98.1 | Very high | 97.6 | Very high | 174 Ų | 174 | 90.8 Ų | 90.8 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -51.2 | 172.7 | 179.5 | -99 | 0 | 0 | 0 | 111 | L57 T63 V64 T65 | L57-Y61 WeakPolarHBondContact O-CB 3.47Å; L57-Y61 PolarHBondContact O-N 2.93Å; Y61-T63 PolarHBondContact O-N 2.75Å; Y61-V64 PolarHBondContact O-N 2.83Å; Y61-T65 WeakPolarHBondContact O-CB 3.26Å; Y61-T65 PolarHBondContact O-N 2.97Å; Y61-T65 PolarHBondContact O-OG1 2.83Å; Y61-T65 VanDerWaalsContact O-OG1 3.04Å |
| 62 | K | 97.7 | Very high | 97.5 | Very high | 156 Ų | 156 | 91.7 Ų | 91.7 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | -177.9 | -173 | 172.1 | -177.4 | 175 | 0 | 113.1 | S58 Y59 G60 S66 | S58-K62 VanDerWaalsContact O-CB 3.31Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 2.97Å; S58-K62 VanDerWaalsContact O-N 3.1Å; Y59-K62 PolarHBondContact O-N 3.43Å; G60-K62 PolarHBondContact O-N 3.46Å; K62-S66 VanDerWaalsContact O-CB 3.31Å; K62-S66 WeakPolarHBondContact O-CB 3.26Å; K62-S66 PolarHBondContact O-N 3.13Å; K62-S66 VanDerWaalsContact O-N 3.12Å; K62-S66 PolarHBondContact O-OG 3.29Å |
| 63 | T | 97.8 | Very high | 97.4 | Very high | 53 Ų | 53 | 94 Ų | 94 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | Y59 G60 Y61 S66 D67 | Y59-T63 HydrophobicContact CD1-CG2 4.27Å; Y59-T63 HydrophobicContact CD2-CG2 4.39Å; Y59-T63 HydrophobicContact CE1-CG2 3.81Å; Y59-T63 HydrophobicContact CE2-CG2 3.95Å; Y59-T63 WeakPolarHBondContact O-CG2 3.38Å; Y59-T63 PolarHBondContact O-N 3.5Å; Y59-T63 PolarHBondContact O-OG1 2.98Å; G60-T63 PolarHBondContact O-N 3.34Å; G60-T63 PolarHBondContact O-OG1 3.28Å; Y61-T63 PolarHBondContact O-N 2.75Å; T63-S66 PolarHBondContact O-N 2.79Å; T63-S66 PolarHBondContact O-OG 3.49Å; T63-D67 PolarHBondContact O-N 3.39Å |
| 64 | V | 97.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -47.4 | 179 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | G60 Y61 S66 D67 H68 | G60-V64 WeakPolarHBondContact O-CB 3.33Å; G60-V64 VanDerWaalsContact O-CG2 3.24Å; G60-V64 WeakPolarHBondContact O-CG2 3.46Å; G60-V64 PolarHBondContact O-N 3.16Å; Y61-V64 PolarHBondContact O-N 2.83Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.21Å; V64-D67 PolarHBondContact O-N 3.27Å; V64-H68 WeakPolarHBondContact O-CB 3.48Å; V64-H68 PolarHBondContact O-N 3.44Å |
| 65 | T | 96.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 92.8 Ų | 92.8 | 29% | 0.288 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | Y61 D67 H68 D69 | Y61-T65 WeakPolarHBondContact O-CB 3.26Å; Y61-T65 PolarHBondContact O-N 2.97Å; Y61-T65 PolarHBondContact O-OG1 2.83Å; Y61-T65 VanDerWaalsContact O-OG1 3.04Å; T65-D67 PolarHBondContact O-N 3.04Å; T65-H68 WeakPolarHBondContact O-CB 3.43Å; T65-H68 PolarHBondContact O-N 3.03Å; T65-D69 PolarHBondContact O-N 3.19Å |
| 66 | S | 96 | Very high | 97.1 | Very high | 71 Ų | 71 | 93.9 Ų | 93.9 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -33 | -177.1 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | K62 T63 V64 R70 | K62-S66 VanDerWaalsContact O-CB 3.31Å; K62-S66 WeakPolarHBondContact O-CB 3.26Å; K62-S66 PolarHBondContact O-N 3.13Å; K62-S66 VanDerWaalsContact O-N 3.12Å; K62-S66 PolarHBondContact O-OG 3.29Å; T63-S66 PolarHBondContact O-N 2.79Å; T63-S66 PolarHBondContact O-OG 3.49Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.21Å; S66-R70 WeakPolarHBondContact O-CB 3.28Å; S66-R70 PolarHBondContact O-N 2.91Å |
| 67 | D | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 95.5 Ų | 95.5 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -85 | -25 | 173.7 | -154.5 | 68.6 | 0 | 0 | 0 | 111.9 | T63 V64 T65 R70 F71 | T63-D67 PolarHBondContact O-N 3.39Å; V64-D67 PolarHBondContact O-N 3.27Å; T65-D67 PolarHBondContact O-N 3.04Å; D67-R70 PolarHBondContact O-N 2.96Å; D67-R70 WeakPolarHBondContact OD1-CD 3.4Å; D67-R70 IonicContact OD1-CZ 2.73Å; D67-R70 IonicContact OD1-NH1 3.91Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; D67-F71 VanDerWaalsContact O-CB 3.26Å; D67-F71 WeakPolarHBondContact O-CB 3.38Å; D67-F71 PolarHBondContact O-N 2.76Å |
| 68 | H | 96.9 | Very high | 96.8 | Very high | 106 Ų | 106 | 95 Ų | 95 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 168.9 | -175.2 | 78.6 | 0 | 0 | 0 | 111.9 | V64 T65 F71 N72 | V64-H68 WeakPolarHBondContact O-CB 3.48Å; V64-H68 PolarHBondContact O-N 3.44Å; T65-H68 WeakPolarHBondContact O-CB 3.43Å; T65-H68 PolarHBondContact O-N 3.03Å; H68-F71 WeakPolarHBondContact O-CB 3.49Å; H68-F71 PolarHBondContact O-N 2.91Å; H68-N72 PolarHBondContact CD2-ND2 3.29Å; H68-N72 PolarHBondContact NE2-ND2 2.82Å; H68-N72 WeakPolarHBondContact O-CB 3.32Å; H68-N72 PolarHBondContact O-N 3.32Å; H68-N72 PolarHBondContact O-ND2 3.11Å |
| 69 | D | 97 | Very high | 96.5 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 172.5 | -69.4 | -27.1 | 0 | 0 | 0 | 110.7 | T65 F71 N72 D73 | T65-D69 PolarHBondContact O-N 3.19Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.12Å; D69-N72 WeakPolarHBondContact O-CB 3.15Å; D69-N72 PolarHBondContact O-N 3.36Å; D69-N72 VanDerWaalsContact O-N 3.14Å; D69-D73 PolarHBondContact O-N 3.34Å |
| 70 | R | 96.4 | Very high | 96.3 | Very high | 134 Ų | 134 | 96.1 Ų | 96.1 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -31.9 | 176.9 | -169 | -164.8 | -172.6 | -163.8 | 7.3 | 113.4 | S66 D67 R74 | S66-R70 WeakPolarHBondContact O-CB 3.28Å; S66-R70 PolarHBondContact O-N 2.91Å; D67-R70 PolarHBondContact O-N 2.96Å; D67-R70 WeakPolarHBondContact OD1-CD 3.4Å; D67-R70 IonicContact OD1-CZ 2.73Å; D67-R70 IonicContact OD1-NH1 3.91Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; R70-R74 WeakPolarHBondContact O-CG 3.22Å; R70-R74 PolarHBondContact O-N 3.29Å |
| 71 | F | 96.6 | Very high | 95.9 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.6 | -45.5 | 172.6 | 176.8 | -96.2 | 0 | 0 | 0 | 110.6 | D67 H68 D69 D73 R74 I75 | D67-F71 VanDerWaalsContact O-CB 3.26Å; D67-F71 WeakPolarHBondContact O-CB 3.38Å; D67-F71 PolarHBondContact O-N 2.76Å; H68-F71 WeakPolarHBondContact O-CB 3.49Å; H68-F71 PolarHBondContact O-N 2.91Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.12Å; F71-D73 VanDerWaalsContact C-N 3.32Å; F71-D73 PolarHBondContact O-N 2.86Å; F71-R74 PolarHBondContact O-N 3.49Å; F71-I75 HydrophobicContact CD1-CG1 4.01Å; F71-I75 HydrophobicContact CD2-CG1 4.45Å; F71-I75 HydrophobicContact CE1-CD1 4.3Å; F71-I75 HydrophobicContact CE1-CG1 3.64Å; F71-I75 HydrophobicContact CE2-CD1 4.25Å; F71-I75 HydrophobicContact CE2-CG1 4.11Å; F71-I75 HydrophobicContact CG-CG1 4.41Å; F71-I75 HydrophobicContact CZ-CD1 3.88Å; F71-I75 HydrophobicContact CZ-CG1 3.7Å; F71-I75 WeakPolarHBondContact O-CB 3.43Å; F71-I75 VanDerWaalsContact O-CG1 3.29Å; F71-I75 WeakPolarHBondContact O-CG1 3.43Å; F71-I75 PolarHBondContact O-N 2.83Å |
| 72 | N | 96.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 98.4 Ų | 98.4 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.7 | -74.4 | -36.4 | 0 | 0 | 0 | 111.9 | H68 D69 I75 S76 | H68-N72 PolarHBondContact CD2-ND2 3.29Å; H68-N72 PolarHBondContact NE2-ND2 2.82Å; H68-N72 WeakPolarHBondContact O-CB 3.32Å; H68-N72 PolarHBondContact O-N 3.32Å; H68-N72 PolarHBondContact O-ND2 3.11Å; D69-N72 WeakPolarHBondContact O-CB 3.15Å; D69-N72 PolarHBondContact O-N 3.36Å; D69-N72 VanDerWaalsContact O-N 3.14Å; N72-I75 PolarHBondContact O-N 2.74Å; N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 2.99Å |
| 73 | D | 96.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 99.6 Ų | 99.6 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57 | -52 | 172.3 | -82.6 | -18.1 | 0 | 0 | 0 | 111.5 | D69 F71 I75 S76 E77 | D69-D73 PolarHBondContact O-N 3.34Å; F71-D73 VanDerWaalsContact C-N 3.32Å; F71-D73 PolarHBondContact O-N 2.86Å; D73-I75 VanDerWaalsContact C-N 3.35Å; D73-I75 PolarHBondContact O-N 3.44Å; D73-S76 WeakPolarHBondContact O-CB 3.19Å; D73-S76 PolarHBondContact O-N 2.96Å; D73-S76 VanDerWaalsContact O-N 3.12Å; D73-S76 PolarHBondContact O-OG 2.97Å; D73-E77 PolarHBondContact O-N 2.9Å |
| 74 | R | 96.4 | Very high | 93.1 | Very high | 129 Ų | 129 | 103 Ų | 103 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 177.2 | -74.8 | 167.4 | 166.3 | 176.9 | -5.1 | 112.4 | R70 F71 S76 E77 L78 | R70-R74 WeakPolarHBondContact O-CG 3.22Å; R70-R74 PolarHBondContact O-N 3.29Å; F71-R74 PolarHBondContact O-N 3.49Å; R74-S76 VanDerWaalsContact C-N 3.32Å; R74-E77 PolarHBondContact O-N 3.42Å; R74-L78 VanDerWaalsContact O-CG 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.38Å; R74-L78 PolarHBondContact O-N 3.05Å |
| 75 | I | 96.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 106.2 Ų | 106.2 | 22% | 0.215 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 176.8 | -68.7 | -66.4 | 0 | 0 | 0 | 110.9 | F71 N72 D73 L78 R79 | F71-I75 HydrophobicContact CD1-CG1 4.01Å; F71-I75 HydrophobicContact CD2-CG1 4.45Å; F71-I75 HydrophobicContact CE1-CD1 4.3Å; F71-I75 HydrophobicContact CE1-CG1 3.64Å; F71-I75 HydrophobicContact CE2-CD1 4.25Å; F71-I75 HydrophobicContact CE2-CG1 4.11Å; F71-I75 HydrophobicContact CG-CG1 4.41Å; F71-I75 HydrophobicContact CZ-CD1 3.88Å; F71-I75 HydrophobicContact CZ-CG1 3.7Å; F71-I75 WeakPolarHBondContact O-CB 3.43Å; F71-I75 VanDerWaalsContact O-CG1 3.29Å; F71-I75 WeakPolarHBondContact O-CG1 3.43Å; F71-I75 PolarHBondContact O-N 2.83Å; N72-I75 PolarHBondContact O-N 2.74Å; D73-I75 VanDerWaalsContact C-N 3.35Å; D73-I75 PolarHBondContact O-N 3.44Å; I75-L78 HydrophobicContact CD1-CD1 4.49Å; I75-R79 WeakPolarHBondContact O-CB 3.46Å; I75-R79 WeakPolarHBondContact O-CD 3.2Å; I75-R79 WeakPolarHBondContact O-CG 3.39Å; I75-R79 PolarHBondContact O-N 3.44Å |
| 76 | S | 95 | Very high | 90.4 | Very high | 63 Ų | 63 | 114 Ų | 114 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 172.8 | 88.3 | 0 | 0 | 0 | 0 | 111.2 | N72 D73 R74 R79 A80 | N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 2.99Å; D73-S76 WeakPolarHBondContact O-CB 3.19Å; D73-S76 PolarHBondContact O-N 2.96Å; D73-S76 VanDerWaalsContact O-N 3.12Å; D73-S76 PolarHBondContact O-OG 2.97Å; R74-S76 VanDerWaalsContact C-N 3.32Å; S76-R79 CarbonylContact O-C 3.59Å; S76-R79 PolarHBondContact O-N 2.93Å; S76-A80 VanDerWaalsContact O-CB 3.27Å; S76-A80 WeakPolarHBondContact O-CB 3.46Å; S76-A80 PolarHBondContact O-N 3.3Å |
| 77 | E | 95.6 | Very high | 89.1 | Confident | 97 Ų | 97 | 115.3 Ų | 115.3 | 45% | 0.453 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -46.4 | 176.6 | -158.3 | -139.5 | 122.2 | 0 | 0 | 110.9 | D73 R74 R79 A80 R81 | D73-E77 PolarHBondContact O-N 2.9Å; R74-E77 PolarHBondContact O-N 3.42Å; E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.26Å; E77-A80 PolarHBondContact O-N 3.47Å; E77-A80 VanDerWaalsContact O-N 3.13Å; E77-R81 WeakPolarHBondContact O-CG 3.17Å; E77-R81 PolarHBondContact O-N 2.9Å; E77-R81 IonicContact OE1-CZ 2.96Å; E77-R81 IonicContact OE1-NE 3.12Å; E77-R81 PolarHBondContact OE1-NE 3.2Å; E77-R81 IonicContact OE1-NH2 3.86Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å; E77-R81 IonicContact OE2-NH2 2.75Å |
| 78 | L | 93.9 | Very high | 88 | Confident | 98 Ų | 98 | 115.9 Ų | 115.9 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -27.9 | 175.9 | -69 | 170.8 | 0 | 0 | 0 | 113.3 | R74 I75 | R74-L78 VanDerWaalsContact O-CG 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.38Å; R74-L78 PolarHBondContact O-N 3.05Å; I75-L78 HydrophobicContact CD1-CD1 4.49Å |
| 79 | R | 91 | Very high | 86.9 | Confident | 183 Ų | 183 | 119.8 Ų | 119.8 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -79.1 | -33.6 | 171.9 | -72.9 | 166.9 | -179.5 | 164.6 | 2.1 | 112.6 | I75 S76 E77 | I75-R79 WeakPolarHBondContact O-CB 3.46Å; I75-R79 WeakPolarHBondContact O-CD 3.2Å; I75-R79 WeakPolarHBondContact O-CG 3.39Å; I75-R79 PolarHBondContact O-N 3.44Å; S76-R79 CarbonylContact O-C 3.59Å; S76-R79 PolarHBondContact O-N 2.93Å; E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.26Å |
| 80 | A | 93.6 | Very high | 85.9 | Confident | 82 Ų | 82 | 121.2 Ų | 121.2 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -81 | -25.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S76 E77 | S76-A80 VanDerWaalsContact O-CB 3.27Å; S76-A80 WeakPolarHBondContact O-CB 3.46Å; S76-A80 PolarHBondContact O-N 3.3Å; E77-A80 PolarHBondContact O-N 3.47Å; E77-A80 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 89.2 | Confident | 84 | Confident | 139 Ų | 139 | 125.3 Ų | 125.3 | 53% | 0.525 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -53.5 | 126.4 | 168.6 | -78.6 | 175.5 | -171.8 | -162.1 | 3 | 109.2 | E77 K83 | E77-R81 WeakPolarHBondContact O-CG 3.17Å; E77-R81 PolarHBondContact O-N 2.9Å; E77-R81 IonicContact OE1-CZ 2.96Å; E77-R81 IonicContact OE1-NE 3.12Å; E77-R81 PolarHBondContact OE1-NE 3.2Å; E77-R81 IonicContact OE1-NH2 3.86Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å; E77-R81 IonicContact OE2-NH2 2.75Å; R81-K83 PolarHBondContact O-N 3.44Å |
| 82 | P | 84.3 | Confident | 82.8 | Confident | 111 Ų | 111 | 124.7 Ų | 124.7 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | | | trans | -62.9 | 118 | -179.2 | 25.4 | -33.4 | 0 | 0 | 0 | 109 | T84 | P82-T84 PolarHBondContact O-N 3.09Š|
| 83 | K | 77.2 | Confident | 81.1 | Confident | 182 Ų | 182 | 125.5 Ų | 125.5 | 79% | 0.791 | 63% | 0.63 | S | S | * | * | | | trans | -69.4 | 81.4 | 176.4 | -64 | -179.8 | -177.3 | -179.8 | 0 | 109 | R81 E85 | R81-K83 PolarHBondContact O-N 3.44Å; K83-E85 PolarHBondContact O-N 2.69Å; K83-E85 VanDerWaalsContact O-N 3.08Å |
| 84 | T | 74.5 | Confident | 79.1 | Confident | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | | | trans | -59.8 | 112.5 | 175.1 | 51.4 | 0 | 0 | 0 | 0 | 108.3 | P82 W86 | P82-T84 PolarHBondContact O-N 3.09Å; T84-W86 PolarHBondContact O-N 2.95Å |
| 85 | E | 68.2 | Low | 77.1 | Confident | 171 Ų | 171 | 127.9 Ų | 127.9 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | | | trans | -53.8 | 105.7 | -177.9 | -173.3 | 179.5 | 170.3 | 0 | 0 | 110.1 | K83 T87 | K83-E85 PolarHBondContact O-N 2.69Å; K83-E85 VanDerWaalsContact O-N 3.08Å; E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 2.94Å |
| 86 | W | 69.3 | Low | 74.5 | Confident | 210 Ų | 210 | 134.1 Ų | 134.1 | 80% | 0.795 | 68% | 0.683 | S | S | * | * | | | trans | -74 | 89.9 | 178.1 | -178.3 | 84.3 | 0 | 0 | 0 | 108.3 | T84 P88 | T84-W86 PolarHBondContact O-N 2.95Å; W86-P88 HydrophobicContact CE3-CB 4.28Å; W86-P88 HydrophobicContact CH2-CB 3.77Å; W86-P88 HydrophobicContact CZ3-CB 3.63Å; W86-P88 HydrophobicContact CZ3-CG 4.35Å; W86-P88 VanDerWaalsContact O-CD 3.27Å; W86-P88 WeakPolarHBondContact O-CD 3.34Å |
| 87 | T | 68.7 | Low | 72.1 | Confident | 99 Ų | 99 | 137 Ų | 137 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.1 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 108.2 | E85 K89 | E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 2.94Å; T87-K89 PolarHBondContact O-N 2.86Å |
| 88 | P | 75.6 | Confident | 69.6 | Low | 90 Ų | 90 | 141.6 Ų | 141.6 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.3 | 178.2 | 21.3 | -31.8 | 0 | 0 | 0 | 109.6 | W86 P90 | W86-P88 HydrophobicContact CE3-CB 4.28Å; W86-P88 HydrophobicContact CH2-CB 3.77Å; W86-P88 HydrophobicContact CZ3-CB 3.63Å; W86-P88 HydrophobicContact CZ3-CG 4.35Å; W86-P88 VanDerWaalsContact O-CD 3.27Å; W86-P88 WeakPolarHBondContact O-CD 3.34Å; P88-P90 WeakPolarHBondContact O-CD 3.31Å |
| 89 | K | 72.3 | Confident | 67.2 | Low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.2 | 175.9 | -167.1 | 174.3 | -174 | 177 | 0 | 107.3 | T87 W91 | T87-K89 PolarHBondContact O-N 2.86Å; K89-W91 PolarHBondContact O-N 3.26Å; K89-W91 VanDerWaalsContact O-N 3.1Å |
| 90 | P | 75.6 | Confident | 64.7 | Low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.2 | -165.7 | 21.8 | -33.1 | 0 | 0 | 0 | 111.5 | P88 | P88-P90 WeakPolarHBondContact O-CD 3.31Š|
| 91 | W | 57 | Low | 62.4 | Low | 219 Ų | 219 | 145.1 Ų | 145.1 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -102.8 | 150.2 | 176.9 | -164.2 | -98.9 | 0 | 0 | 0 | 109.2 | K89 P93 | K89-W91 PolarHBondContact O-N 3.26Å; K89-W91 VanDerWaalsContact O-N 3.1Å; W91-P93 HydrophobicContact CH2-CG 4.01Å; W91-P93 HydrophobicContact CZ2-CG 4.33Å; W91-P93 HydrophobicContact CZ3-CG 4.18Å |
| 92 | P | 71.4 | Confident | 60.2 | Low | 96 Ų | 96 | 142.7 Ų | 142.7 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -79.5 | 160.9 | -2.8 | 33.7 | -36.2 | 0 | 0 | 0 | 113.7 | | |
| 93 | P | 61.5 | Low | 58.2 | Low | 82 Ų | 82 | 144.7 Ų | 144.7 | 53% | 0.532 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 139.8 | 163.1 | 28.5 | -34.9 | 0 | 0 | 0 | 108.9 | W91 G95 | W91-P93 HydrophobicContact CH2-CG 4.01Å; W91-P93 HydrophobicContact CZ2-CG 4.33Å; W91-P93 HydrophobicContact CZ3-CG 4.18Å; P93-G95 PolarHBondContact O-N 3.4Å |
| 94 | K | 53.9 | Low | 56.6 | Low | 224 Ų | 224 | 141.2 Ų | 141.2 | 97% | 0.974 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -72 | 77.6 | 174.3 | -80.3 | -165.5 | 171.2 | -173.5 | 0 | 110.8 | | |
| 95 | G | 54.7 | Low | 55.2 | Low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | | | trans | -128.4 | 58.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P93 | P93-G95 PolarHBondContact O-N 3.4Š|
| 96 | K | 41.9 | Very low | 54.2 | Low | 174 Ų | 174 | 137.8 Ų | 137.8 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | 39.2 | 112.6 | 151.9 | -163.8 | -168.8 | 177.1 | -156.5 | 0 | 118.7 | | |
| 97 | D | 45.5 | Very low | 52.9 | Low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | | | trans | 35.4 | 102.7 | 142.4 | -25.7 | -32 | 0 | 0 | 0 | 118.2 | | |
| 98 | E | 41.9 | Very low | 51.8 | Low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | | -172.2 | 168.9 | 114.2 | -98.5 | 160.6 | -157.4 | 0 | 0 | 110.9 | | |
| 99 | D | 44.3 | Very low | 50.5 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | -75.9 | 149 | -160.6 | 34.7 | -70.5 | 0 | 0 | 0 | 116.8 | | |
| 100 | G | 38 | Very low | 49.4 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | | | trans | -178.4 | 45.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A102 | G100-A102 PolarHBondContact O-N 2.93Š|
| 101 | E | 45.3 | Very low | 48.1 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 92% | 0.916 | 74% | 0.735 | S | S | * | * | | | trans | -88.4 | 97.5 | 179.3 | -178.2 | 77 | -173 | 0 | 0 | 111.3 | | |
| 102 | A | 43.7 | Very low | 47.9 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | | | trans | -169 | 159.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G100 | G100-A102 PolarHBondContact O-N 2.93Š|
| 103 | D | 42.4 | Very low | 47.1 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | | | trans | 58.4 | 80.6 | 164.9 | -101 | 55.5 | 0 | 0 | 0 | 118.6 | | |
| 104 | A | 42.1 | Very low | 46.7 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | | | trans | -151 | 44.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 105 | G | 46.5 | Very low | 46.7 | Very low | 59 Ų | 59 | 111.5 Ų | 111.5 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -135.1 | -23.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 106 | E | 45.6 | Very low | 46.8 | Very low | 162 Ų | 162 | 111 Ų | 111 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -95.8 | -27.6 | -178.3 | -66.5 | -168.7 | 132.3 | 0 | 0 | 113.6 | A109 A110 | E106-A109 PolarHBondContact O-N 3.42Å; E106-A110 PolarHBondContact O-N 3.32Å; E106-A110 VanDerWaalsContact O-N 3.16Å |
| 107 | E | 43.9 | Very low | 47.5 | Very low | 173 Ų | 173 | 108.7 Ų | 108.7 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.5 | -38.9 | -174.9 | -164.3 | 172.9 | -156.5 | 0 | 0 | 113.2 | A109 A110 A111 | E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 2.89Å; E107-A110 PolarHBondContact O-N 2.9Å; E107-A111 PolarHBondContact O-N 3.46Å; E107-A111 VanDerWaalsContact O-N 3.09Å |
| 108 | E | 43.8 | Very low | 47.8 | Very low | 169 Ų | 169 | 105.2 Ų | 105.2 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.1 | -31.6 | 177 | -167.8 | 172.4 | -133.5 | 0 | 0 | 111.9 | A112 | E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 2.9Å; E108-A112 VanDerWaalsContact O-N 3.1Å |
| 109 | A | 48.8 | Very low | 48.6 | Very low | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.3 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E106 E107 A111 A112 T113 | E106-A109 PolarHBondContact O-N 3.42Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 2.89Å; A109-A111 PolarHBondContact O-N 3.25Å; A109-A112 PolarHBondContact O-N 2.99Å; A109-T113 PolarHBondContact O-N 2.92Å; A109-T113 PolarHBondContact O-OG1 2.98Å |
| 110 | A | 49 | Very low | 49.1 | Very low | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E106 E107 T113 A114 | E106-A110 PolarHBondContact O-N 3.32Å; E106-A110 VanDerWaalsContact O-N 3.16Å; E107-A110 PolarHBondContact O-N 2.9Å; A110-T113 PolarHBondContact O-OG1 3.14Å; A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 3.25Å; A110-A114 VanDerWaalsContact O-N 3.08Å |
| 111 | A | 49.7 | Very low | 50.3 | Low | 63 Ų | 63 | 101 Ų | 101 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E107 A109 A115 | E107-A111 PolarHBondContact O-N 3.46Å; E107-A111 VanDerWaalsContact O-N 3.09Å; A109-A111 PolarHBondContact O-N 3.25Å; A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 2.95Å |
| 112 | A | 52.5 | Low | 51 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E108 A109 A116 | E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 2.9Å; E108-A112 VanDerWaalsContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 2.99Å; A112-A116 PolarHBondContact O-N 3.35Å; A112-A116 VanDerWaalsContact O-N 3.13Å |
| 113 | T | 53.9 | Low | 51.7 | Low | 85 Ų | 85 | 99.3 Ų | 99.3 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -42.7 | 175.5 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | A109 A110 A115 A116 E117 | A109-T113 PolarHBondContact O-N 2.92Å; A109-T113 PolarHBondContact O-OG1 2.98Å; A110-T113 PolarHBondContact O-OG1 3.14Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.34Å; T113-A116 PolarHBondContact O-N 2.96Å; T113-E117 PolarHBondContact O-N 3.29Å |
| 114 | A | 53.5 | Low | 52.1 | Low | 56 Ų | 56 | 98.3 Ų | 98.3 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A110 A118 | A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 3.25Å; A110-A114 VanDerWaalsContact O-N 3.08Å; A114-A118 WeakPolarHBondContact O-CB 3.3Å; A114-A118 PolarHBondContact O-N 3.12Å; A114-A118 VanDerWaalsContact O-N 3.1Å |
| 115 | A | 54.1 | Low | 52.6 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -42.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A111 T113 A118 E119 | A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 2.95Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.34Å; A115-A118 PolarHBondContact O-N 2.93Å; A115-E119 PolarHBondContact O-N 3.18Å |
| 116 | A | 56 | Low | 53.4 | Low | 53 Ų | 53 | 95.4 Ų | 95.4 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A112 T113 A118 E119 T120 | A112-A116 PolarHBondContact O-N 3.35Å; A112-A116 VanDerWaalsContact O-N 3.13Å; T113-A116 PolarHBondContact O-N 2.96Å; A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.46Å; A116-E119 PolarHBondContact O-N 3.22Å; A116-T120 PolarHBondContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.35Å |
| 117 | E | 57.3 | Low | 54.3 | Low | 127 Ų | 127 | 94.8 Ų | 94.8 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -42.4 | 174.2 | -71.4 | -179.5 | 163 | 0 | 0 | 111.1 | T113 E119 T120 I121 | T113-E117 PolarHBondContact O-N 3.29Å; E117-E119 PolarHBondContact O-N 3.49Å; E117-T120 WeakPolarHBondContact CA-OG1 3.39Å; E117-T120 PolarHBondContact O-N 2.88Å; E117-T120 PolarHBondContact O-OG1 3.4Å; E117-I121 WeakPolarHBondContact O-CD1 3.5Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.3Å; E117-I121 PolarHBondContact O-N 2.85Å |
| 118 | A | 51.9 | Low | 55 | Low | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A114 A115 A116 I121 V122 | A114-A118 WeakPolarHBondContact O-CB 3.3Å; A114-A118 PolarHBondContact O-N 3.12Å; A114-A118 VanDerWaalsContact O-N 3.1Å; A115-A118 PolarHBondContact O-N 2.93Å; A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.46Å; A118-I121 PolarHBondContact O-N 3.49Å; A118-V122 WeakPolarHBondContact O-CG2 3.31Å; A118-V122 PolarHBondContact O-N 3.38Å; A118-V122 VanDerWaalsContact O-N 3.15Å |
| 119 | E | 58.8 | Low | 56.1 | Low | 147 Ų | 147 | 87.2 Ų | 87.2 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 174.3 | -74.3 | -174.1 | 154.2 | 0 | 0 | 111.5 | A115 A116 E117 I121 V122 E123 | A115-E119 PolarHBondContact O-N 3.18Å; A116-E119 PolarHBondContact O-N 3.22Å; E117-E119 PolarHBondContact O-N 3.49Å; E119-I121 PolarHBondContact O-N 2.91Å; E119-V122 PolarHBondContact O-N 3.46Å; E119-E123 PolarHBondContact O-N 2.81Å |
| 120 | T | 54.1 | Low | 57.3 | Low | 91 Ų | 91 | 87 Ų | 87 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -37.1 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | A116 E117 V122 E123 E124 | A116-T120 PolarHBondContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.35Å; E117-T120 WeakPolarHBondContact CA-OG1 3.39Å; E117-T120 PolarHBondContact O-N 2.88Å; E117-T120 PolarHBondContact O-OG1 3.4Å; T120-V122 VanDerWaalsContact C-N 3.31Å; T120-V122 PolarHBondContact O-N 3.04Å; T120-E123 PolarHBondContact O-N 3.19Å; T120-E124 PolarHBondContact O-N 3.03Å |
| 121 | I | 62.4 | Low | 58 | Low | 107 Ų | 107 | 91.1 Ų | 91.1 | 55% | 0.549 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -30.5 | 176.6 | -65.7 | 162 | 0 | 0 | 0 | 111.2 | E117 A118 E119 A125 | E117-I121 WeakPolarHBondContact O-CD1 3.5Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.3Å; E117-I121 PolarHBondContact O-N 2.85Å; A118-I121 PolarHBondContact O-N 3.49Å; E119-I121 PolarHBondContact O-N 2.91Å; I121-A125 VanDerWaalsContact O-CB 3.23Å; I121-A125 WeakPolarHBondContact O-CB 3.49Å; I121-A125 PolarHBondContact O-N 2.89Å |
| 122 | V | 60.5 | Low | 58.5 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.7 | -37.3 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | A118 E119 T120 A126 | A118-V122 WeakPolarHBondContact O-CG2 3.31Å; A118-V122 PolarHBondContact O-N 3.38Å; A118-V122 VanDerWaalsContact O-N 3.15Å; E119-V122 PolarHBondContact O-N 3.46Å; T120-V122 VanDerWaalsContact C-N 3.31Å; T120-V122 PolarHBondContact O-N 3.04Å; V122-A126 VanDerWaalsContact O-CB 3.32Å; V122-A126 WeakPolarHBondContact O-CB 3.33Å; V122-A126 PolarHBondContact O-N 2.93Å |
| 123 | E | 58.5 | Low | 59.3 | Low | 149 Ų | 149 | 90.4 Ų | 90.4 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -47.7 | 172.2 | -68.7 | -93.4 | 116.1 | 0 | 0 | 111 | E119 T120 A125 A126 E127 | E119-E123 PolarHBondContact O-N 2.81Å; T120-E123 PolarHBondContact O-N 3.19Å; E123-A125 PolarHBondContact O-N 3.45Å; E123-A126 WeakPolarHBondContact O-CB 3.42Å; E123-A126 PolarHBondContact O-N 2.85Å; E123-A126 VanDerWaalsContact O-N 3.1Å; E123-E127 PolarHBondContact O-N 3.37Å |
| 124 | E | 50.4 | Low | 59.9 | Low | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.6 | -45.7 | 175.8 | -173 | -171.6 | 142.4 | 0 | 0 | 111.6 | T120 A126 E127 V128 | T120-E124 PolarHBondContact O-N 3.03Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 3.36Å; E124-E127 PolarHBondContact O-N 3.42Å; E124-V128 WeakPolarHBondContact O-CG2 3.31Å; E124-V128 PolarHBondContact O-N 3.39Å |
| 125 | A | 53.6 | Low | 60.4 | Low | 53 Ų | 53 | 93.6 Ų | 93.6 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -30.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I121 E123 V129 | I121-A125 VanDerWaalsContact O-CB 3.23Å; I121-A125 WeakPolarHBondContact O-CB 3.49Å; I121-A125 PolarHBondContact O-N 2.89Å; E123-A125 PolarHBondContact O-N 3.45Å; A125-V129 WeakPolarHBondContact O-CB 3.35Å; A125-V129 WeakPolarHBondContact O-CG2 3.34Å; A125-V129 PolarHBondContact O-N 3.1Å; A125-V129 VanDerWaalsContact O-N 3.11Å |
| 126 | A | 63.7 | Low | 61.1 | Low | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.6 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V122 E123 E124 V129 A130 | V122-A126 VanDerWaalsContact O-CB 3.32Å; V122-A126 WeakPolarHBondContact O-CB 3.33Å; V122-A126 PolarHBondContact O-N 2.93Å; E123-A126 WeakPolarHBondContact O-CB 3.42Å; E123-A126 PolarHBondContact O-N 2.85Å; E123-A126 VanDerWaalsContact O-N 3.1Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 3.36Å; A126-V129 PolarHBondContact O-N 2.88Å; A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.14Å |
| 127 | E | 63.9 | Low | 61.6 | Low | 148 Ų | 148 | 95.1 Ų | 95.1 | 69% | 0.692 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 174.7 | -171.9 | 170.8 | -172 | 0 | 0 | 111.2 | E123 E124 V129 A130 E131 | E123-E127 PolarHBondContact O-N 3.37Å; E124-E127 PolarHBondContact O-N 3.42Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.1Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.34Å; E127-E131 PolarHBondContact O-N 3.04Å |
| 128 | V | 58.6 | Low | 62.2 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -35.5 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | E124 A132 | E124-V128 WeakPolarHBondContact O-CG2 3.31Å; E124-V128 PolarHBondContact O-N 3.39Å; V128-A132 VanDerWaalsContact O-CB 3.31Å; V128-A132 WeakPolarHBondContact O-CB 3.48Å; V128-A132 PolarHBondContact O-N 3.43Å |
| 129 | V | 67.8 | Low | 62.9 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71 | -31.8 | 174 | 167 | 0 | 0 | 0 | 0 | 111.9 | A125 A126 E127 A133 | A125-V129 WeakPolarHBondContact O-CB 3.35Å; A125-V129 WeakPolarHBondContact O-CG2 3.34Å; A125-V129 PolarHBondContact O-N 3.1Å; A125-V129 VanDerWaalsContact O-N 3.11Å; A126-V129 PolarHBondContact O-N 2.88Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.1Å; V129-A133 WeakPolarHBondContact O-CB 3.46Å; V129-A133 PolarHBondContact O-N 2.85Å |
| 130 | A | 72.5 | Confident | 63.7 | Low | 54 Ų | 54 | 92.2 Ų | 92.2 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A126 E127 A132 A133 E134 | A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.14Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.34Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.93Å; A130-A133 WeakPolarHBondContact O-CB 3.48Å; A130-A133 PolarHBondContact O-N 3.41Å; A130-A133 VanDerWaalsContact O-N 3.1Å; A130-E134 PolarHBondContact O-N 3.4Å |
| 131 | E | 63.8 | Low | 64.8 | Low | 143 Ų | 143 | 93.7 Ų | 93.7 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.4 | -45.3 | 173.5 | -171.5 | -171.7 | 170.4 | 0 | 0 | 111.1 | E127 A133 E134 A135 | E127-E131 PolarHBondContact O-N 3.04Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.11Å; E131-E134 PolarHBondContact O-N 3.34Å; E131-A135 WeakPolarHBondContact O-CB 3.49Å; E131-A135 PolarHBondContact O-N 2.89Å |
| 132 | A | 60.9 | Low | 65.1 | Low | 52 Ų | 52 | 90.9 Ų | 90.9 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V128 A130 V136 | V128-A132 VanDerWaalsContact O-CB 3.31Å; V128-A132 WeakPolarHBondContact O-CB 3.48Å; V128-A132 PolarHBondContact O-N 3.43Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.93Å; A132-V136 WeakPolarHBondContact O-CB 3.21Å; A132-V136 VanDerWaalsContact O-CG2 3.25Å; A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.21Å; A132-V136 VanDerWaalsContact O-N 3.09Å |
| 133 | A | 69.9 | Low | 65.7 | Low | 58 Ų | 58 | 91 Ų | 91 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V129 A130 E131 V136 S137 | V129-A133 WeakPolarHBondContact O-CB 3.46Å; V129-A133 PolarHBondContact O-N 2.85Å; A130-A133 WeakPolarHBondContact O-CB 3.48Å; A130-A133 PolarHBondContact O-N 3.41Å; A130-A133 VanDerWaalsContact O-N 3.1Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.11Å; A133-V136 PolarHBondContact O-N 2.89Å; A133-S137 PolarHBondContact O-N 3.02Å |
| 134 | E | 66.3 | Low | 66.6 | Low | 152 Ų | 152 | 86.2 Ų | 86.2 | 71% | 0.71 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 173 | -70.2 | -103.2 | 122.9 | 0 | 0 | 110.6 | A130 E131 V136 S137 E138 | A130-E134 PolarHBondContact O-N 3.4Å; E131-E134 PolarHBondContact O-N 3.34Å; E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.4Å; E134-S137 WeakPolarHBondContact O-CA 3.25Å; E134-S137 WeakPolarHBondContact O-CB 3.45Å; E134-S137 PolarHBondContact O-N 3.45Å; E134-E138 PolarHBondContact O-N 2.93Å |
| 135 | A | 63.2 | Low | 67.5 | Low | 56 Ų | 56 | 85.8 Ų | 85.8 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E131 A139 | E131-A135 WeakPolarHBondContact O-CB 3.49Å; E131-A135 PolarHBondContact O-N 2.89Å; A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 3.11Å; A135-A139 VanDerWaalsContact O-N 3.11Å |
| 136 | V | 69.1 | Low | 68.2 | Low | 79 Ų | 79 | 87.3 Ų | 87.3 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -32.2 | 172.2 | 166.7 | 0 | 0 | 0 | 0 | 111.7 | A132 A133 E134 A140 | A132-V136 WeakPolarHBondContact O-CB 3.21Å; A132-V136 VanDerWaalsContact O-CG2 3.25Å; A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.21Å; A132-V136 VanDerWaalsContact O-N 3.09Å; A133-V136 PolarHBondContact O-N 2.89Å; E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.4Å; V136-A140 VanDerWaalsContact O-CB 3.3Å; V136-A140 WeakPolarHBondContact O-CB 3.24Å; V136-A140 PolarHBondContact O-N 3.34Å |
| 137 | S | 65.7 | Low | 68.9 | Low | 61 Ų | 61 | 87.3 Ų | 87.3 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 175.2 | -160.7 | 0 | 0 | 0 | 0 | 111.8 | A133 E134 A139 A140 E141 | A133-S137 PolarHBondContact O-N 3.02Å; E134-S137 WeakPolarHBondContact O-CA 3.25Å; E134-S137 WeakPolarHBondContact O-CB 3.45Å; E134-S137 PolarHBondContact O-N 3.45Å; S137-A139 VanDerWaalsContact C-N 3.31Å; S137-A139 PolarHBondContact O-N 3.19Å; S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.43Å; S137-A140 VanDerWaalsContact O-N 3.11Å; S137-E141 PolarHBondContact O-N 3.09Å |
| 138 | E | 69.9 | Low | 69.1 | Low | 151 Ų | 151 | 86.6 Ų | 86.6 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.2 | -43.5 | 175 | -171.1 | -174.9 | 176.5 | 0 | 0 | 111 | E134 A140 E141 A142 | E134-E138 PolarHBondContact O-N 2.93Å; E138-A140 VanDerWaalsContact C-N 3.33Å; E138-A140 PolarHBondContact O-N 2.98Å; E138-E141 PolarHBondContact O-N 2.96Å; E138-A142 WeakPolarHBondContact O-CB 3.32Å; E138-A142 PolarHBondContact O-N 3.11Å |
| 139 | A | 68.3 | Low | 69.5 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A135 S137 V143 | A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 3.11Å; A135-A139 VanDerWaalsContact O-N 3.11Å; S137-A139 VanDerWaalsContact C-N 3.31Å; S137-A139 PolarHBondContact O-N 3.19Å; A139-V143 VanDerWaalsContact O-CG2 3.31Å; A139-V143 WeakPolarHBondContact O-CG2 3.46Å; A139-V143 PolarHBondContact O-N 3.26Å |
| 140 | A | 75.1 | Confident | 69.7 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V136 S137 E138 V143 A144 | V136-A140 VanDerWaalsContact O-CB 3.3Å; V136-A140 WeakPolarHBondContact O-CB 3.24Å; V136-A140 PolarHBondContact O-N 3.34Å; S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.43Å; S137-A140 VanDerWaalsContact O-N 3.11Å; E138-A140 VanDerWaalsContact C-N 3.33Å; E138-A140 PolarHBondContact O-N 2.98Å; A140-V143 PolarHBondContact O-N 3.33Å; A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 2.72Å |
| 141 | E | 76.4 | Confident | 69.5 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 174.5 | -71.7 | -169.8 | -173.9 | 0 | 0 | 112 | S137 E138 V143 A144 Q145 | S137-E141 PolarHBondContact O-N 3.09Å; E138-E141 PolarHBondContact O-N 2.96Å; E141-V143 VanDerWaalsContact C-N 3.34Å; E141-V143 PolarHBondContact O-N 2.97Å; E141-A144 PolarHBondContact O-N 2.89Å; E141-Q145 WeakPolarHBondContact O-CG 3.29Å; E141-Q145 PolarHBondContact O-N 3.12Å |
| 142 | A | 68.7 | Low | 70.1 | Confident | 48 Ų | 48 | 89.2 Ų | 89.2 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E138 Q145 V146 | E138-A142 WeakPolarHBondContact O-CB 3.32Å; E138-A142 PolarHBondContact O-N 3.11Å; A142-Q145 PolarHBondContact O-N 3.42Å; A142-V146 WeakPolarHBondContact O-CG2 3.36Å; A142-V146 PolarHBondContact O-N 3.43Å; A142-V146 VanDerWaalsContact O-N 3.09Å |
| 143 | V | 72.8 | Confident | 70.4 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 62% | 0.624 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | A139 A140 E141 V146 A147 | A139-V143 VanDerWaalsContact O-CG2 3.31Å; A139-V143 WeakPolarHBondContact O-CG2 3.46Å; A139-V143 PolarHBondContact O-N 3.26Å; A140-V143 PolarHBondContact O-N 3.33Å; E141-V143 VanDerWaalsContact C-N 3.34Å; E141-V143 PolarHBondContact O-N 2.97Å; V143-V146 PolarHBondContact O-N 2.98Å; V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.34Å |
| 144 | A | 77.1 | Confident | 70.8 | Confident | 49 Ų | 49 | 89.4 Ų | 89.4 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 E141 A147 Q148 | A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 2.72Å; E141-A144 PolarHBondContact O-N 2.89Å; A144-A147 PolarHBondContact O-N 2.77Å; A144-Q148 WeakPolarHBondContact O-CG 3.33Å; A144-Q148 PolarHBondContact O-N 2.97Å; A144-Q148 VanDerWaalsContact O-N 3.12Å |
| 145 | Q | 70.8 | Confident | 71.5 | Confident | 123 Ų | 123 | 87.7 Ų | 87.7 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 173.6 | -69.3 | 172.3 | 44.5 | 0 | 0 | 111.2 | E141 A142 A147 Q148 E149 | E141-Q145 WeakPolarHBondContact O-CG 3.29Å; E141-Q145 PolarHBondContact O-N 3.12Å; A142-Q145 PolarHBondContact O-N 3.42Å; Q145-A147 VanDerWaalsContact C-N 3.29Å; Q145-A147 PolarHBondContact O-N 2.85Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q145-E149 PolarHBondContact O-N 3.2Å |
| 146 | V | 68.6 | Low | 71.9 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | A142 V143 E149 V150 | A142-V146 WeakPolarHBondContact O-CG2 3.36Å; A142-V146 PolarHBondContact O-N 3.43Å; A142-V146 VanDerWaalsContact O-N 3.09Å; V143-V146 PolarHBondContact O-N 2.98Å; V146-E149 PolarHBondContact O-N 2.86Å; V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 3.26Å |
| 147 | A | 78.3 | Confident | 71.8 | Confident | 56 Ų | 56 | 91.4 Ų | 91.4 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V143 A144 Q145 V150 E151 | V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.34Å; A144-A147 PolarHBondContact O-N 2.77Å; Q145-A147 VanDerWaalsContact C-N 3.29Å; Q145-A147 PolarHBondContact O-N 2.85Å; A147-V150 PolarHBondContact O-N 2.78Å; A147-E151 PolarHBondContact O-N 2.99Å |
| 148 | Q | 67.9 | Low | 72.3 | Confident | 133 Ų | 133 | 91.2 Ų | 91.2 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 176.4 | -69.3 | 177.5 | 12.7 | 0 | 0 | 112.4 | A144 Q145 V150 E151 A152 | A144-Q148 WeakPolarHBondContact O-CG 3.33Å; A144-Q148 PolarHBondContact O-N 2.97Å; A144-Q148 VanDerWaalsContact O-N 3.12Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q148-V150 VanDerWaalsContact C-N 3.33Å; Q148-V150 PolarHBondContact O-N 3.2Å; Q148-E151 PolarHBondContact O-N 3.21Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.1Å |
| 149 | E | 67.3 | Low | 72.5 | Confident | 146 Ų | 146 | 88.3 Ų | 88.3 | 68% | 0.682 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 173 | -70.9 | -164.1 | 151 | 0 | 0 | 112.1 | Q145 V146 A153 | Q145-E149 PolarHBondContact O-N 3.2Å; V146-E149 PolarHBondContact O-N 2.86Å; E149-A153 VanDerWaalsContact O-CB 3.26Å; E149-A153 WeakPolarHBondContact O-CB 3.31Å; E149-A153 PolarHBondContact O-N 3.37Å |
| 150 | V | 70.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 90 Ų | 90 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.5 | -37.9 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | V146 A147 Q148 A153 A154 | V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 3.26Å; A147-V150 PolarHBondContact O-N 2.78Å; Q148-V150 VanDerWaalsContact C-N 3.33Å; Q148-V150 PolarHBondContact O-N 3.2Å; V150-A153 PolarHBondContact O-N 3.44Å; V150-A154 WeakPolarHBondContact O-CB 3.42Å; V150-A154 PolarHBondContact O-N 3.04Å |
| 151 | E | 69.1 | Low | 72.6 | Confident | 138 Ų | 138 | 90 Ų | 90 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -46.7 | 175.7 | -172.5 | 166.5 | -150.2 | 0 | 0 | 111.5 | A147 Q148 A153 A154 E155 | A147-E151 PolarHBondContact O-N 2.99Å; Q148-E151 PolarHBondContact O-N 3.21Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.94Å; E151-A154 WeakPolarHBondContact O-CB 3.49Å; E151-A154 PolarHBondContact O-N 3.37Å; E151-A154 VanDerWaalsContact O-N 3.14Å; E151-E155 PolarHBondContact O-N 3.32Å |
| 152 | A | 76.4 | Confident | 72.5 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q148 A154 E155 E156 | Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.1Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-E155 PolarHBondContact O-N 3.23Å; A152-E156 PolarHBondContact O-N 2.84Å |
| 153 | A | 67.4 | Low | 72.8 | Confident | 55 Ų | 55 | 91.7 Ų | 91.7 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E149 V150 E151 E156 V157 | E149-A153 VanDerWaalsContact O-CB 3.26Å; E149-A153 WeakPolarHBondContact O-CB 3.31Å; E149-A153 PolarHBondContact O-N 3.37Å; V150-A153 PolarHBondContact O-N 3.44Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.94Å; A153-E156 PolarHBondContact O-N 3.13Å; A153-V157 WeakPolarHBondContact O-CG2 3.27Å; A153-V157 PolarHBondContact O-N 2.82Å |
| 154 | A | 77.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 91.3 Ų | 91.3 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V150 E151 A152 V157 A158 | V150-A154 WeakPolarHBondContact O-CB 3.42Å; V150-A154 PolarHBondContact O-N 3.04Å; E151-A154 WeakPolarHBondContact O-CB 3.49Å; E151-A154 PolarHBondContact O-N 3.37Å; E151-A154 VanDerWaalsContact O-N 3.14Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A154-V157 PolarHBondContact O-N 3.02Å; A154-A158 WeakPolarHBondContact O-CB 3.35Å; A154-A158 PolarHBondContact O-N 3.31Å |
| 155 | E | 81.9 | Confident | 72.4 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 172.1 | -79.6 | -154.8 | 171.8 | 0 | 0 | 112.7 | E151 A152 V157 A158 K159 | E151-E155 PolarHBondContact O-N 3.32Å; A152-E155 PolarHBondContact O-N 3.23Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.24Å; E155-A158 WeakPolarHBondContact O-CB 3.18Å; E155-A158 PolarHBondContact O-N 3.2Å; E155-K159 WeakPolarHBondContact O-CD 3.3Å; E155-K159 WeakPolarHBondContact O-CE 3.44Å; E155-K159 VanDerWaalsContact O-CG 3.3Å; E155-K159 WeakPolarHBondContact O-CG 3.44Å; E155-K159 PolarHBondContact O-N 2.93Å; E155-K159 IonicContact OE2-NZ 2.67Å; E155-K159 PolarHBondContact OE2-NZ 3.32Å |
| 156 | E | 70.9 | Confident | 72.2 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 178.9 | -70.2 | -60.9 | 107.5 | 0 | 0 | 111.6 | A152 A153 A158 K159 V160 | A152-E156 PolarHBondContact O-N 2.84Å; A153-E156 PolarHBondContact O-N 3.13Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3Å; E156-K159 PolarHBondContact O-N 3.31Å; E156-K159 VanDerWaalsContact OE1-CD 3.26Å; E156-K159 WeakPolarHBondContact OE1-CD 3.45Å; E156-K159 IonicContact OE1-NZ 2.84Å; E156-K159 PolarHBondContact OE1-NZ 2.67Å; E156-V160 WeakPolarHBondContact O-CB 3.21Å; E156-V160 VanDerWaalsContact O-CG2 3.31Å; E156-V160 WeakPolarHBondContact O-CG2 3.32Å; E156-V160 PolarHBondContact O-N 2.75Å |
| 157 | V | 66.8 | Low | 71.9 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 62% | 0.624 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 172.7 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | A153 A154 E155 V160 A161 | A153-V157 WeakPolarHBondContact O-CG2 3.27Å; A153-V157 PolarHBondContact O-N 2.82Å; A154-V157 PolarHBondContact O-N 3.02Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.24Å; V157-V160 PolarHBondContact O-N 2.92Å; V157-A161 WeakPolarHBondContact O-CB 3.35Å; V157-A161 PolarHBondContact O-N 2.91Å |
| 158 | A | 77.6 | Confident | 71.2 | Confident | 57 Ų | 57 | 93.6 Ų | 93.6 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A154 E155 E156 V160 A161 E162 | A154-A158 WeakPolarHBondContact O-CB 3.35Å; A154-A158 PolarHBondContact O-N 3.31Å; E155-A158 WeakPolarHBondContact O-CB 3.18Å; E155-A158 PolarHBondContact O-N 3.2Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3Å; A158-V160 VanDerWaalsContact C-N 3.3Å; A158-V160 PolarHBondContact O-N 3.06Å; A158-A161 WeakPolarHBondContact O-CB 3.4Å; A158-A161 PolarHBondContact O-N 3.36Å; A158-A161 VanDerWaalsContact O-N 3.11Å; A158-E162 PolarHBondContact O-N 3.05Å |
| 159 | K | 73.7 | Confident | 70.9 | Confident | 90 Ų | 90 | 93 Ų | 93 | 39% | 0.391 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -38 | 175.6 | -64.6 | 159 | -154.8 | 166.2 | 0 | 111.7 | E155 E156 A163 | E155-K159 WeakPolarHBondContact O-CD 3.3Å; E155-K159 WeakPolarHBondContact O-CE 3.44Å; E155-K159 VanDerWaalsContact O-CG 3.3Å; E155-K159 WeakPolarHBondContact O-CG 3.44Å; E155-K159 PolarHBondContact O-N 2.93Å; E155-K159 IonicContact OE2-NZ 2.67Å; E155-K159 PolarHBondContact OE2-NZ 3.32Å; E156-K159 PolarHBondContact O-N 3.31Å; E156-K159 VanDerWaalsContact OE1-CD 3.26Å; E156-K159 WeakPolarHBondContact OE1-CD 3.45Å; E156-K159 IonicContact OE1-NZ 2.84Å; E156-K159 PolarHBondContact OE1-NZ 2.67Å; K159-A163 WeakPolarHBondContact O-CB 3.23Å; K159-A163 PolarHBondContact O-N 2.88Å; K159-A163 VanDerWaalsContact O-N 3.09Å |
| 160 | V | 71.9 | Confident | 70.3 | Confident | 92 Ų | 92 | 89.7 Ų | 89.7 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 173.6 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | E156 V157 A158 V164 | E156-V160 WeakPolarHBondContact O-CB 3.21Å; E156-V160 VanDerWaalsContact O-CG2 3.31Å; E156-V160 WeakPolarHBondContact O-CG2 3.32Å; E156-V160 PolarHBondContact O-N 2.75Å; V157-V160 PolarHBondContact O-N 2.92Å; A158-V160 VanDerWaalsContact C-N 3.3Å; A158-V160 PolarHBondContact O-N 3.06Å; V160-V164 WeakPolarHBondContact O-CB 3.39Å; V160-V164 VanDerWaalsContact O-CG2 3.28Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 3.39Å |
| 161 | A | 73.1 | Confident | 69.5 | Low | 57 Ų | 57 | 90.5 Ų | 90.5 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V157 A158 A163 V164 E165 | V157-A161 WeakPolarHBondContact O-CB 3.35Å; V157-A161 PolarHBondContact O-N 2.91Å; A158-A161 WeakPolarHBondContact O-CB 3.4Å; A158-A161 PolarHBondContact O-N 3.36Å; A158-A161 VanDerWaalsContact O-N 3.11Å; A161-A163 PolarHBondContact O-N 2.79Å; A161-V164 PolarHBondContact O-N 3.11Å; A161-E165 PolarHBondContact O-N 3.07Å |
| 162 | E | 75 | Confident | 68 | Low | 142 Ų | 142 | 89.2 Ų | 89.2 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.2 | -46.3 | 174.9 | -173.8 | 179.4 | -175.7 | 0 | 0 | 111.4 | A158 V164 E165 E166 | A158-E162 PolarHBondContact O-N 3.05Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 2.89Å; E162-E165 PolarHBondContact O-N 3.29Å; E162-E165 VanDerWaalsContact O-N 3.14Å; E162-E166 PolarHBondContact O-N 3.38Å |
| 163 | A | 73.4 | Confident | 66.4 | Low | 61 Ų | 61 | 95.3 Ų | 95.3 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -30.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | K159 A161 A167 | K159-A163 WeakPolarHBondContact O-CB 3.23Å; K159-A163 PolarHBondContact O-N 2.88Å; K159-A163 VanDerWaalsContact O-N 3.09Å; A161-A163 PolarHBondContact O-N 2.79Å; A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.1Å; A163-A167 VanDerWaalsContact O-N 3.16Å |
| 164 | V | 71.9 | Confident | 65.2 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 58% | 0.582 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.9 | -34.4 | 172.9 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | V160 A161 E162 A168 | V160-V164 WeakPolarHBondContact O-CB 3.39Å; V160-V164 VanDerWaalsContact O-CG2 3.28Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 3.39Å; A161-V164 PolarHBondContact O-N 3.11Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 2.89Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.43Å |
| 165 | E | 69.9 | Low | 63.2 | Low | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.2 | -44.7 | 174.8 | -163 | -178.2 | 143.1 | 0 | 0 | 111.7 | A161 E162 A167 A168 Q169 | A161-E165 PolarHBondContact O-N 3.07Å; E162-E165 PolarHBondContact O-N 3.29Å; E162-E165 VanDerWaalsContact O-N 3.14Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.95Å; E165-A168 CarbonylContact O-C 3.44Å; E165-A168 WeakPolarHBondContact O-CA 3.44Å; E165-A168 WeakPolarHBondContact O-CB 3.22Å; E165-A168 PolarHBondContact O-N 2.95Å; E165-Q169 WeakPolarHBondContact O-CG 3.31Å; E165-Q169 PolarHBondContact O-N 3.08Å; E165-Q169 PolarHBondContact OE1-NE2 3.02Å |
| 166 | E | 67.9 | Low | 60.9 | Low | 137 Ų | 137 | 98.9 Ų | 98.9 | 64% | 0.64 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.9 | -42.6 | 175.9 | -155.5 | -90.9 | 157.8 | 0 | 0 | 110.9 | E162 A168 Q169 A170 | E162-E166 PolarHBondContact O-N 3.38Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.01Å; E166-Q169 PolarHBondContact O-N 2.93Å; E166-A170 WeakPolarHBondContact O-CB 3.27Å; E166-A170 PolarHBondContact O-N 3.42Å |
| 167 | A | 61.8 | Low | 59.1 | Low | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -32.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | A163 E165 V171 | A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.1Å; A163-A167 VanDerWaalsContact O-N 3.16Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.95Å; A167-V171 VanDerWaalsContact O-CG2 3.29Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 3.18Å |
| 168 | A | 62.6 | Low | 57.4 | Low | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.6 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V164 E165 E166 V171 T172 | V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.43Å; E165-A168 CarbonylContact O-C 3.44Å; E165-A168 WeakPolarHBondContact O-CA 3.44Å; E165-A168 WeakPolarHBondContact O-CB 3.22Å; E165-A168 PolarHBondContact O-N 2.95Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.01Å; A168-V171 PolarHBondContact O-N 3.15Å; A168-T172 PolarHBondContact O-N 3.42Å; A168-T172 PolarHBondContact O-OG1 3.05Å |
| 169 | Q | 61.5 | Low | 55.4 | Low | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64 | -43 | 172.1 | -67.6 | -174.3 | 31 | 0 | 0 | 110.4 | E165 E166 V171 T172 | E165-Q169 WeakPolarHBondContact O-CG 3.31Å; E165-Q169 PolarHBondContact O-N 3.08Å; E165-Q169 PolarHBondContact OE1-NE2 3.02Å; E166-Q169 PolarHBondContact O-N 2.93Å; Q169-V171 PolarHBondContact O-N 3.48Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.46Å; Q169-T172 PolarHBondContact O-N 3.47Å; Q169-T172 VanDerWaalsContact O-N 3.09Å; Q169-T172 PolarHBondContact O-OG1 3.07Å; Q169-T172 VanDerWaalsContact O-OG1 3.1Å |
| 170 | A | 56.1 | Low | 53.3 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.4 | -19.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E166 | E166-A170 WeakPolarHBondContact O-CB 3.27Å; E166-A170 PolarHBondContact O-N 3.42Å |
| 171 | V | 53.2 | Low | 51.7 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -93.4 | -14.8 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 112.6 | A167 A168 Q169 | A167-V171 VanDerWaalsContact O-CG2 3.29Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 3.18Å; A168-V171 PolarHBondContact O-N 3.15Å; Q169-V171 PolarHBondContact O-N 3.48Å |
| 172 | T | 36.8 | Very low | 49.7 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.5 | 11.7 | -174.9 | 35.8 | 0 | 0 | 0 | 0 | 115.6 | A168 Q169 P174 | A168-T172 PolarHBondContact O-N 3.42Å; A168-T172 PolarHBondContact O-OG1 3.05Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.46Å; Q169-T172 PolarHBondContact O-N 3.47Å; Q169-T172 VanDerWaalsContact O-N 3.09Å; Q169-T172 PolarHBondContact O-OG1 3.07Å; Q169-T172 VanDerWaalsContact O-OG1 3.1Å; T172-P174 WeakPolarHBondContact O-CD 3.43Å |
| 173 | E | 43.5 | Very low | 47.9 | Very low | 186 Ų | 186 | 116.3 Ų | 116.3 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | | | trans | -102.2 | 55.7 | 166.3 | -153.7 | -167.5 | 169.4 | 0 | 0 | 115.9 | | |
| 174 | P | 42.1 | Very low | 46.4 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | | | trans | -90.7 | 101 | 166.1 | 34.6 | -30.3 | 0 | 0 | 0 | 112.2 | T172 | T172-P174 WeakPolarHBondContact O-CD 3.43Š|
| 175 | A | 34.3 | Very low | 44.5 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | trans | 47.4 | 85 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | V177 | A175-V177 VanDerWaalsContact C-N 3.28Å; A175-V177 PolarHBondContact O-N 3.28Å |
| 176 | A | 34.6 | Very low | 42.9 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 94% | 0.942 | 74% | 0.738 | S | S | * | * | | | trans | -71.3 | 71.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 177 | V | 33.1 | Very low | 41.8 | Very low | 136 Ų | 136 | 120 Ų | 120 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | -144 | 123.1 | 170.7 | -161.6 | 0 | 0 | 0 | 0 | 112.5 | A175 | A175-V177 VanDerWaalsContact C-N 3.28Å; A175-V177 PolarHBondContact O-N 3.28Å |
| 178 | G | 30.8 | Very low | 40.2 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | 94.3 | 98.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 179 | A | 35.6 | Very low | 38.6 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | -94.5 | 139.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 180 | E | 29.9 | Very low | 37.1 | Very low | 197 Ų | 197 | 126.5 Ų | 126.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -153.1 | 148 | 145.5 | -145.1 | 175.9 | 173.3 | 0 | 0 | 109.9 | | |
| 181 | E | 38.3 | Very low | 35.9 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -91.5 | 141.3 | 179.5 | -61.4 | 178.2 | 83.6 | 0 | 0 | 111.7 | | |
| 182 | T | 32.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | | | trans | -148.6 | 129 | 144.9 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 183 | Q | 36.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -89.2 | 133.5 | 169.9 | -60.8 | 170.3 | -23.3 | 0 | 0 | 110.6 | | |
| 184 | S | 40.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -170.7 | 131.4 | 151.8 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 185 | D | 33.2 | Very low | 33.8 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | | | trans | 45 | 110.1 | 150.8 | -72.6 | -118.4 | 0 | 0 | 0 | 124.5 | | |
| 186 | V | 35.7 | Very low | 33.7 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | | | | 21.6 | 149.7 | 122.2 | -109 | 0 | 0 | 0 | 0 | 121.2 | | |
| 187 | P | 44.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | | | | -136.7 | -176.9 | -60.6 | 41.7 | -24.7 | 0 | 0 | 0 | 114 | | |
| 188 | L | 29.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | | | trans | 56.6 | 97.6 | 145.7 | -170.1 | 119.6 | 0 | 0 | 0 | 120 | | |
| 189 | A | 28.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | | | trans | -168.8 | 138.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 190 | A | 29.6 | Very low | 32.9 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | | | trans | 29.1 | 106.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 191 | A | 30.7 | Very low | 32.8 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | | 54 | 133.7 | 118.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 192 | S | 30.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | 88.6 | 154.8 | 140.5 | -159.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 193 | S | 32.9 | Very low | 32 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | trans | 90.5 | 81.7 | 159.9 | -37.1 | 0 | 0 | 0 | 0 | 117.6 | E195 | S193-E195 PolarHBondContact O-N 3.35Š|
| 194 | L | 35.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 110.6 | 159.5 | -176.5 | 170.4 | 0 | 0 | 0 | 109.7 | | |
| 195 | E | 33.2 | Very low | 31.4 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | | | trans | -148.1 | 100.7 | 168.9 | -161 | -175.2 | 162.5 | 0 | 0 | 112.6 | S193 | S193-E195 PolarHBondContact O-N 3.35Š|
| 196 | L | 31.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | | | trans | -133.9 | 95.7 | 169.8 | -80.4 | -179.7 | 0 | 0 | 0 | 111.8 | | |
| 197 | L | 27.7 | Very low | 31 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | trans | -135.7 | 83.7 | 170.8 | -168.8 | 151 | 0 | 0 | 0 | 110 | | |
| 198 | K | 31.1 | Very low | 30.3 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | | | trans | -164.1 | 75 | 172.8 | -125.8 | 165.1 | -169 | 165.2 | 0 | 118 | | |
| 199 | K | 30.6 | Very low | 30.3 | Very low | 217 Ų | 217 | 142 Ų | 142 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | | | trans | -167.8 | 156.2 | 142.2 | -105.7 | 153.3 | -176 | 175.2 | 0 | 109.1 | | |
| 200 | A | 28.4 | Very low | 30.5 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | | | cis | -124.5 | 170.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 201 | K | 26.8 | Very low | 30.8 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | | | trans | -116.8 | 127 | 173.3 | 169.7 | 171.4 | 175.1 | 170.2 | 0 | 110.7 | | |
| 202 | G | 25.5 | Very low | 30.8 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | | | trans | 101.5 | 112.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 203 | K | 29.4 | Very low | 30.9 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | | -149.9 | 125.6 | 125.5 | -163.4 | 73.4 | 178.4 | -173.7 | 0 | 108.6 | | |
| 204 | D | 32.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | | | trans | -80.2 | 140.5 | 167.1 | -50.9 | -98.1 | 0 | 0 | 0 | 109.2 | | |
| 205 | D | 31.7 | Very low | 31.4 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -162 | 153.2 | 140.3 | -105.4 | -43.8 | 0 | 0 | 0 | 110.1 | | |
| 206 | S | 31.8 | Very low | 32.4 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -113.9 | 133.9 | -170.8 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 207 | A | 29.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 149 Ų | 149 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | | | trans | -145.3 | 135.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 208 | S | 29.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -99.2 | 146.7 | 170.2 | 141.3 | 0 | 0 | 0 | 0 | 109 | | |
| 209 | N | 29.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -151.4 | 148.6 | 133.2 | -153.4 | 12.4 | 0 | 0 | 0 | 110.1 | | |
| 210 | D | 32.3 | Very low | 33 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | -110 | 127 | -175.8 | -71.6 | -101.6 | 0 | 0 | 0 | 110.6 | | |
| 211 | Q | 35.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -166.8 | 149.2 | 160.3 | -153.1 | 161.1 | 53 | 0 | 0 | 110.6 | | |
| 212 | E | 31.7 | Very low | 33.7 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | cis | -162.5 | 148 | -45 | 179.1 | 165.6 | 110.5 | 0 | 0 | 106.9 | | |
| 213 | L | 31.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | | | trans | 48.4 | 105 | 167.1 | -96 | 69.4 | 0 | 0 | 0 | 122 | | |
| 214 | L | 34.5 | Very low | 34.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | | 62.6 | 157.4 | 112.4 | -66.7 | -177.2 | 0 | 0 | 0 | 122.8 | | |
| 215 | P | 45 | Very low | 34.4 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | trans | -126.8 | -120.1 | -140.6 | 28.8 | -1.5 | 0 | 0 | 0 | 116.9 | | |
| 216 | P | 53.3 | Low | 34.3 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | | -130.5 | 151.1 | -104.8 | 39.3 | -22.4 | 0 | 0 | 0 | 117.7 | | |
| 217 | E | 32 | Very low | 34.3 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | | | trans | -138.3 | 134.8 | 160 | -63.7 | -173.7 | 147 | 0 | 0 | 107.2 | | |
| 218 | V | 32 | Very low | 34.2 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | cis | 107.5 | 148.4 | 31.1 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 219 | E | 34.9 | Very low | 34.4 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | 88.6 | 88.7 | 178.5 | -49.8 | -138.6 | 141.9 | 0 | 0 | 119.8 | | |
| 220 | T | 35.4 | Very low | 34.5 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | | 47.9 | 153.7 | 118.9 | 38.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 221 | P | 39.3 | Very low | 34.8 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -94.1 | 160.4 | -168.5 | 38.5 | -36.6 | 0 | 0 | 0 | 114.9 | | |
| 222 | V | 32 | Very low | 34.5 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -106.4 | 110.5 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 223 | E | 33.4 | Very low | 34.5 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | 32.9 | 119.2 | 136.7 | -143.4 | 162.6 | 133 | 0 | 0 | 120.9 | V225 | E223-V225 HydrophobicContact CG-CG2 4.22Š|
| 224 | K | 32.7 | Very low | 34.6 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -93.5 | 97.8 | 167.8 | -178.7 | -177.9 | -179.7 | -179.3 | 0 | 109.3 | | |
| 225 | V | 34.9 | Very low | 34.9 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82 | 125.6 | 179.9 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | E223 | E223-V225 HydrophobicContact CG-CG2 4.22Š|
| 226 | S | 29 | Very low | 34.4 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 143.3 | 170.5 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | T228 | S226-T228 PolarHBondContact O-N 2.96Š|
| 227 | P | 33.3 | Very low | 33.8 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.4 | 174.6 | 28.3 | -33.3 | 0 | 0 | 0 | 111 | I229 | P227-I229 PolarHBondContact O-N 3.48Š|
| 228 | T | 26.2 | Very low | 34 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76 | 117.5 | 172.4 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | S226 T230 | S226-T228 PolarHBondContact O-N 2.96Å; T228-T230 PolarHBondContact O-N 3.04Å |
| 229 | I | 35.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.9 | 165.6 | -60.7 | 173.2 | 0 | 0 | 0 | 107.6 | P227 E231 | P227-I229 PolarHBondContact O-N 3.48Å; I229-E231 HydrophobicContact CG2-CG 4.36Å |
| 230 | T | 30.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | -120.5 | 105.5 | 173.7 | -56 | 0 | 0 | 0 | 0 | 107.3 | T228 | T228-T230 PolarHBondContact O-N 3.04Š|
| 231 | E | 37.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | -71.3 | 130.4 | 177.9 | -61.5 | -174.3 | 133.3 | 0 | 0 | 110.2 | I229 | I229-E231 HydrophobicContact CG2-CG 4.36Š|
| 232 | V | 31.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -116 | 96.8 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | T234 | V232-T234 PolarHBondContact O-N 3.1Å; V232-T234 VanDerWaalsContact O-N 3.1Å |
| 233 | L | 30.7 | Very low | 33.4 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | -67.8 | 103.7 | 172.2 | -70.9 | 169.5 | 0 | 0 | 0 | 109.7 | | |
| 234 | T | 33.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -93 | 132.9 | 154.7 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | V232 | V232-T234 PolarHBondContact O-N 3.1Å; V232-T234 VanDerWaalsContact O-N 3.1Å |
| 235 | S | 41 | Very low | 33.2 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -60.4 | 162.8 | 168.2 | -170 | 0 | 0 | 0 | 0 | 110.7 | | |
| 236 | D | 33.3 | Very low | 33 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 79.1 | 121.7 | 171.6 | -41.9 | -22.9 | 0 | 0 | 0 | 112.5 | | |
| 237 | G | 41.8 | Very low | 33.2 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | -92.5 | -168.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 238 | D | 36.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | 73.4 | 102.2 | -170.6 | -153.1 | -44.9 | 0 | 0 | 0 | 114.9 | S240 | D238-S240 PolarHBondContact OD1-N 2.91Å; D238-S240 PolarHBondContact OD1-OG 3.13Å; D238-S240 VanDerWaalsContact OD1-OG 3.14Å |
| 239 | T | 34.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | | | trans | -127.7 | 61.8 | 171.6 | 47 | 0 | 0 | 0 | 0 | 111 | L241 | T239-L241 PolarHBondContact O-N 3.24Š|
| 240 | S | 33.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -50.1 | 108.5 | 163.6 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | D238 K242 | D238-S240 PolarHBondContact OD1-N 2.91Å; D238-S240 PolarHBondContact OD1-OG 3.13Å; D238-S240 VanDerWaalsContact OD1-OG 3.14Å; S240-K242 PolarHBondContact O-N 3.32Å |
| 241 | L | 32.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -69.7 | 91.8 | -174.7 | -71.2 | 176.9 | 0 | 0 | 0 | 112.4 | T239 | T239-L241 PolarHBondContact O-N 3.24Š|
| 242 | K | 30.7 | Very low | 32.6 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | -96.7 | 98.7 | 168 | -168.1 | 165 | -171.7 | 167.3 | 0 | 110.7 | S240 V244 | S240-K242 PolarHBondContact O-N 3.32Å; K242-V244 PolarHBondContact O-N 3.37Å |
| 243 | A | 29.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -58.6 | 120 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 244 | V | 30.8 | Very low | 33 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -113.1 | 113.3 | 169.4 | 176 | 0 | 0 | 0 | 0 | 107.1 | K242 | K242-V244 PolarHBondContact O-N 3.37Š|
| 245 | A | 31.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -66.5 | 136.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 246 | I | 31.7 | Very low | 33 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -119.3 | 116.3 | 168.9 | -57.7 | 178.9 | 0 | 0 | 0 | 106.7 | | |
| 247 | S | 32.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -81.5 | 157.4 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.8 | | |
| 248 | E | 36.3 | Very low | 33 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -45.8 | 131.8 | 173.5 | -176.5 | -172 | 138.3 | 0 | 0 | 114.3 | | |
| 249 | E | 30.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -137.3 | 138.1 | 155.2 | -168.8 | 170.4 | 105.2 | 0 | 0 | 110.2 | | |
| 250 | T | 25.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 64% | 0.644 | 80% | 0.803 | S | S | * | * | | | trans | -102.5 | 112 | -168 | -72.4 | 0 | 0 | 0 | 0 | 113 | | |
| 251 | V | 30.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | | | trans | 31.5 | 119.4 | 137.6 | -176.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 252 | T | 26.4 | Very low | 32.2 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | | -158.9 | 145.4 | 119.2 | 8.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 253 | P | 40.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -100.8 | 145.7 | -174.4 | 37.2 | -32.3 | 0 | 0 | 0 | 113.7 | | |
| 254 | E | 29.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -147.1 | 177.7 | 154.1 | -138.1 | 175.3 | 144.8 | 0 | 0 | 110.2 | | |
| 255 | E | 38.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -74.1 | 166.4 | -158.6 | -68.7 | 179.3 | 83.1 | 0 | 0 | 116.8 | | |
| 256 | D | 35.5 | Very low | 32 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | 57.9 | 84.1 | 164.8 | -80 | -46.6 | 0 | 0 | 0 | 119.1 | | |
| 257 | G | 40.8 | Very low | 32.2 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | | 51.5 | 114.3 | 116.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 258 | K | 34 | Very low | 31.9 | Very low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 88.6 | 83.6 | 160.8 | -163.7 | -177.3 | -177.5 | 175.6 | 0 | 116.7 | | |
| 259 | V | 30.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -89.5 | 135.5 | 158.5 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 260 | S | 31.2 | Very low | 31.9 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -117.8 | 123 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 261 | V | 29.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -100.3 | 126.5 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 262 | T | 29.4 | Very low | 32.2 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -103.6 | 109.1 | -175.3 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 263 | V | 28.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | | | trans | -81.4 | 144.1 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V265 | V263-V265 HydrophobicContact CG1-CG2 4.24Š|
| 264 | K | 29.1 | Very low | 32.4 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | -126.9 | 114.1 | -175.6 | -153.5 | 176.2 | -171.4 | 179.5 | 0 | 110.3 | | |
| 265 | V | 34.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | -118.2 | 136.6 | -177 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | V263 | V263-V265 HydrophobicContact CG1-CG2 4.24Š|
| 266 | A | 25.8 | Very low | 32 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -155.7 | 147.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 267 | P | 37 | Very low | 31.6 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -136.2 | 175.1 | -152.3 | 42.6 | -24.9 | 0 | 0 | 0 | 118 | | |
| 268 | A | 25.6 | Very low | 30.9 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | 88.6 | 151.4 | 139 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 269 | M | 31.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 94.2 | 104.6 | 153.3 | -50.1 | -148.7 | 115.9 | 0 | 0 | 121.5 | | |
| 270 | E | 34.8 | Very low | 30 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | | 42 | 130.5 | 124.7 | -59.4 | 179 | 97.9 | 0 | 0 | 122.4 | | |
| 271 | S | 30.1 | Very low | 30 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | | -170.1 | 163.6 | 120.5 | 33.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 272 | L | 32.6 | Very low | 29.9 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -84.8 | 167.9 | -164.3 | -62.5 | 160 | 0 | 0 | 0 | 114.9 | | |
| 273 | T | 33.7 | Very low | 29.9 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -76.2 | 168.5 | 168.5 | 62.2 | 0 | 0 | 0 | 0 | 112 | | |
| 274 | P | 39 | Very low | 30 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | | -156.7 | 152.5 | 91.6 | 39.8 | -20.5 | 0 | 0 | 0 | 118.8 | | |
| 275 | V | 26.9 | Very low | 30.1 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | 62.8 | 149 | 136 | -179.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 276 | E | 30.9 | Very low | 29.8 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -58.6 | 156.2 | -176.6 | -50.4 | 154.6 | 85 | 0 | 0 | 117.7 | | |
| 277 | V | 27.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | | | | -147.1 | 148.7 | 121 | -164.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 278 | V | 27.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | | | trans | -92 | 146.8 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 279 | S | 22.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | | 166.2 | 143.1 | 128.7 | -76.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 280 | M | 22.8 | Very low | 30.2 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 70% | 0.7 | 79% | 0.787 | S | S | * | * | | | trans | 58.7 | 115 | 141.8 | -84.6 | 63.7 | -169.8 | 0 | 0 | 124 | | |
| 281 | E | 30.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | | 59.4 | 141.3 | 113.8 | -66.4 | -178.3 | 76.5 | 0 | 0 | 123.7 | | |
| 282 | D | 27.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 56.2 | 117.6 | 147.2 | -154.9 | -106.2 | 0 | 0 | 0 | 120.5 | | |
| 283 | S | 29.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | | -171 | 165.4 | 85.3 | -144 | 0 | 0 | 0 | 0 | 114.5 | | |
| 284 | A | 30.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -88.6 | 155.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 285 | A | 31.9 | Very low | 29.8 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | | | trans | -138.3 | 127.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 286 | F | 27.6 | Very low | 29.9 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -129.4 | 113.9 | -173 | -169.4 | -77.4 | 0 | 0 | 0 | 110.4 | | |
| 287 | A | 34.1 | Very low | 29.7 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -161.8 | 89.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 288 | E | 29.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | | 87.4 | 136.1 | 81.3 | -151.2 | -162.9 | 149 | 0 | 0 | 113.8 | | |
| 289 | V | 31.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | 78.7 | 79.7 | 169 | -159.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 290 | A | 33.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | | 67.1 | 155.2 | 121.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 291 | P | 37.2 | Very low | 31 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -131.7 | 165.9 | -145.2 | 43 | -28 | 0 | 0 | 0 | 118.3 | | |
| 292 | V | 28.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -152.3 | 108.9 | 148.4 | 150.7 | 0 | 0 | 0 | 0 | 103.8 | | |
| 293 | V | 30.8 | Very low | 30.9 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | | 66.1 | 95.3 | 71 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 294 | E | 33.8 | Very low | 30.9 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | | -161 | 159.7 | 116.9 | -102.9 | 177.1 | 163.3 | 0 | 0 | 109.2 | | |
| 295 | D | 31.2 | Very low | 30.7 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -124.4 | 137.2 | -155.7 | -167.8 | -62.1 | 0 | 0 | 0 | 113.1 | S297 | D295-S297 PolarHBondContact OD1-N 2.77Š|
| 296 | V | 29.2 | Very low | 30.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -144.7 | 92.3 | 171.3 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 297 | S | 27.1 | Very low | 30.7 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | | | trans | 71.9 | 100.1 | 133.1 | -60.9 | 0 | 0 | 0 | 0 | 122.6 | D295 | D295-S297 PolarHBondContact OD1-N 2.77Š|
| 298 | V | 30.2 | Very low | 30.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | | 51.2 | 162.1 | 129.5 | -77.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 299 | P | 39.3 | Very low | 31 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | cis | -130.7 | -157.2 | -15.5 | 25.7 | -0.4 | 0 | 0 | 0 | 113.2 | | |
| 300 | I | 26.5 | Very low | 32 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | 83 | 127.9 | 162 | -54.5 | 165.9 | 0 | 0 | 0 | 115.3 | | |
| 301 | E | 29.8 | Very low | 32.6 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | cis | -152.6 | -176.3 | -15 | -122.7 | -174.2 | 179.6 | 0 | 0 | 112.8 | | |
| 302 | V | 27.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -65.3 | 138.7 | -166.9 | -162.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 303 | S | 27.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | | 171.9 | 115.5 | 127.2 | -174.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 304 | A | 30.4 | Very low | 32.5 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -179.1 | 140.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 305 | V | 26.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -102.5 | 136.4 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | V307 | V305-V307 HydrophobicContact CG1-CG2 4.28Š|
| 306 | A | 30.6 | Very low | 32.2 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -147.7 | 146.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 307 | V | 29.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -138 | 121.8 | -170.4 | 175.4 | 0 | 0 | 0 | 0 | 112 | V305 | V305-V307 HydrophobicContact CG1-CG2 4.28Š|
| 308 | E | 32 | Very low | 32.3 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -160.3 | 154.7 | 153 | -88.5 | -164.3 | 107.2 | 0 | 0 | 106.9 | | |
| 309 | A | 37.1 | Very low | 32.4 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | cis | 173.7 | 148.7 | -27 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 310 | P | 53.7 | Low | 32.3 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -100.8 | 174.5 | -166.3 | 42.3 | -38.7 | 0 | 0 | 0 | 113.5 | | |
| 311 | P | 44.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | | -158.7 | 138.2 | 88.3 | 41.1 | -19.8 | 0 | 0 | 0 | 119.9 | | |
| 312 | T | 29.7 | Very low | 32.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | 51.3 | 133.2 | 131.4 | 67.4 | 0 | 0 | 0 | 0 | 126.9 | | |
| 313 | I | 32.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | | 97.4 | 146.4 | 125.8 | -79.9 | 167.4 | 0 | 0 | 0 | 123 | | |
| 314 | E | 32.4 | Very low | 32.7 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 98.7 | 138.6 | 169.3 | -56.6 | -147.9 | 167.1 | 0 | 0 | 120.7 | | |
| 315 | V | 29.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | cis | -168 | 148.2 | -34 | 102.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 316 | V | 28.8 | Very low | 33 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | 73.6 | 106.4 | 155.2 | 172.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 317 | A | 30.3 | Very low | 33.2 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | | 45.6 | 143.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 126.9 | | |
| 318 | V | 28.5 | Very low | 33.4 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | | -150.3 | 157.7 | 123.7 | 142.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 319 | V | 31.9 | Very low | 33.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | -128.9 | 137.4 | -178.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | | |
| 320 | E | 37.7 | Very low | 33.3 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -143.5 | 153.6 | 145.2 | -77.5 | -153.9 | 105.3 | 0 | 0 | 109.5 | | |
| 321 | E | 33.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -98.8 | 162.4 | -175.6 | -61.6 | 179.5 | 76 | 0 | 0 | 112.7 | | |
| 322 | T | 27.3 | Very low | 31.6 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | | -170.8 | 120.8 | 117.2 | 18.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 323 | L | 29.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | 70.6 | 112.7 | 145.7 | -54.5 | 178.1 | 0 | 0 | 0 | 122.2 | | |
| 324 | T | 29.7 | Very low | 32 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 63.5 | 109.7 | 140.8 | 58.9 | 0 | 0 | 0 | 0 | 121 | | |
| 325 | P | 33.6 | Very low | 32 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 134.2 | 139.2 | 33.5 | -28.8 | 0 | 0 | 0 | 110 | | |
| 326 | A | 30.7 | Very low | 32.1 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -100 | 121.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 327 | E | 33.2 | Very low | 32.1 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.9 | 173.7 | -172.4 | -177.2 | 129.1 | 0 | 0 | 110.1 | | |
| 328 | V | 34.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -122.7 | 114.6 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 329 | A | 33.6 | Very low | 32.1 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | | | trans | -69.1 | 140.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | V331 | A329-V331 PolarHBondContact O-N 3.49Š|
| 330 | P | 33.3 | Very low | 32 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -72.1 | 114.3 | 170.3 | 29.5 | -32.4 | 0 | 0 | 0 | 110 | | |
| 331 | V | 30 | Very low | 31.5 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -84.8 | 122.2 | 168.9 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | A329 | A329-V331 PolarHBondContact O-N 3.49Š|
| 332 | V | 33.9 | Very low | 31.1 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -132.6 | 103.7 | 164 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 333 | E | 34.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -123.6 | 116.7 | 168.9 | -174.9 | 173 | -157.1 | 0 | 0 | 106.8 | | |
| 334 | E | 36.8 | Very low | 31 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | -141.6 | 93.6 | -173.7 | -155.1 | -74.3 | 104.8 | 0 | 0 | 107.8 | | |
| 335 | V | 31.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -145.3 | 126.3 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 336 | P | 32.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -80.9 | 150.2 | -173.2 | 31.3 | -36.3 | 0 | 0 | 0 | 113.5 | | |
| 337 | V | 28.3 | Very low | 31 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -130.7 | 119 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | V339 | V337-V339 HydrophobicContact CG1-CG2 4.26Š|
| 338 | S | 29.4 | Very low | 31 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -81.2 | 135.7 | 170.6 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 339 | V | 30.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | trans | -129.3 | 120.5 | 177 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | V337 | V337-V339 HydrophobicContact CG1-CG2 4.26Š|
| 340 | E | 30.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -93.2 | -173.7 | 166.3 | -59.5 | -169.9 | 121.8 | 0 | 0 | 110.5 | | |
| 341 | V | 27.3 | Very low | 30.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 82.5 | 129.1 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 342 | S | 23.8 | Very low | 30.8 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | cis | -171.2 | 164.9 | -18.5 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 343 | A | 28.1 | Very low | 31 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | 87 | 156.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 344 | V | 27.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | | | trans | 79.4 | 113.6 | 169.3 | -174.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 345 | V | 27.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -103.6 | 137.7 | 157 | 168.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 346 | E | 34.2 | Very low | 30.1 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -103.2 | 151.3 | 157.6 | -82.2 | -148.6 | 126.7 | 0 | 0 | 110.2 | | |
| 347 | E | 32.3 | Very low | 29.8 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -146.4 | 155.1 | -175.9 | -154.3 | -78.7 | 111.2 | 0 | 0 | 110.1 | | |
| 348 | A | 33.1 | Very low | 29.7 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 58% | 0.579 | 80% | 0.798 | S | S | * | * | | | trans | 67.2 | 158.4 | 173 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 349 | P | 31.5 | Very low | 29.7 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | cis | -119.6 | 163.7 | 4.6 | 40.1 | -27.5 | 0 | 0 | 0 | 116.3 | | |
| 350 | K | 30.6 | Very low | 29.7 | Very low | 211 Ų | 211 | 136.4 Ų | 136.4 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -108.2 | 142.1 | -176.9 | -174.5 | 177.3 | -175.1 | 174.9 | 0 | 110.9 | | |
| 351 | A | 34.8 | Very low | 29.7 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -149.2 | 119.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 352 | V | 28.9 | Very low | 30.2 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | 54.4 | 113.4 | 144.2 | -171.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 353 | E | 38.3 | Very low | 30.6 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -99.7 | 157.9 | 141 | -62.4 | -167.9 | 140.2 | 0 | 0 | 110.2 | | |
| 354 | V | 29.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -178.7 | 120 | 141.7 | 140.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 355 | A | 28.9 | Very low | 30.6 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | 60.1 | 149.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 356 | S | 25.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | 106.7 | 141.6 | 147.3 | 75.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 357 | V | 25.4 | Very low | 30.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | cis | -177.1 | 163.6 | -30.6 | 121.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 358 | V | 26.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 148.7 | 170.8 | 135.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 359 | D | 31.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | | | cis | -144.9 | 148.9 | 22.1 | -150.3 | -156.5 | 0 | 0 | 0 | 115.5 | | |
| 360 | E | 29.3 | Very low | 30.2 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 38.3 | 155.3 | 139.6 | -155.8 | 151 | 112.6 | 0 | 0 | 126.1 | | |
| 361 | A | 30.5 | Very low | 30.2 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | -142.9 | 161.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 362 | P | 37.9 | Very low | 30 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -144.7 | 150.2 | 135.2 | 34 | -17 | 0 | 0 | 0 | 117.5 | | |
| 363 | A | 31.3 | Very low | 30.3 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | | | trans | -58.9 | 173 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 364 | F | 27.4 | Very low | 30.6 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | | 173.4 | 147.7 | 103.2 | -94.4 | -60.7 | 0 | 0 | 0 | 118.1 | | |
| 365 | V | 28.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | 81.1 | 143.9 | 147.6 | 168.7 | 0 | 0 | 0 | 0 | 121 | | |
| 366 | Q | 29.7 | Very low | 30.5 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -115 | 171.7 | 180 | -52.2 | 167.5 | 5.2 | 0 | 0 | 110.9 | | |
| 367 | V | 27.5 | Very low | 31.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | | 171.3 | 145.3 | 127.7 | 148.7 | 0 | 0 | 0 | 0 | 111 | | |
| 368 | A | 35.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | -137.4 | 145.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 369 | P | 33 | Very low | 31.6 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -127.7 | 127.3 | 157.1 | 32.5 | -17.2 | 0 | 0 | 0 | 112 | | |
| 370 | V | 25.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | | 93.1 | 98.1 | 66.7 | 168.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 371 | V | 30.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | 34.7 | 124.6 | 132 | -173.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 372 | E | 30.6 | Very low | 31.4 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | | -167.2 | 157.7 | 115.2 | -103.9 | -169.1 | 137.4 | 0 | 0 | 112.8 | | |
| 373 | E | 33.8 | Very low | 31.2 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | -104.4 | -158.7 | -179.3 | -43.9 | 177.8 | 94 | 0 | 0 | 110.8 | | |
| 374 | P | 45.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | | | cis | -133.8 | 167.3 | -22.1 | 38.5 | -23.3 | 0 | 0 | 0 | 114.8 | | |
| 375 | S | 27.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -172.5 | 147.8 | 141.5 | -84.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 376 | T | 29.5 | Very low | 31.5 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -127.2 | 179.2 | 172.9 | 60.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 377 | P | 42.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | cis | -136.8 | 172 | 2.1 | 42.8 | -26.6 | 0 | 0 | 0 | 116.8 | | |
| 378 | A | 25.9 | Very low | 31.4 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | 66 | 158.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 379 | E | 31.9 | Very low | 31.1 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | cis | -118.9 | -168.9 | 5.3 | -86.6 | -168.4 | 112.2 | 0 | 0 | 113.4 | | |
| 380 | V | 29.3 | Very low | 31.6 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -103.6 | 126.6 | -164.6 | 178 | 0 | 0 | 0 | 0 | 113.2 | | |
| 381 | A | 31.1 | Very low | 31.7 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | 173.4 | 114.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 382 | A | 27.4 | Very low | 31.8 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | -118.1 | 119.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 383 | I | 32 | Very low | 31.8 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | | | trans | -137 | 103.9 | 161.6 | -58.2 | 177.3 | 0 | 0 | 0 | 105.8 | | |
| 384 | V | 29.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | | | trans | -146.6 | 122.1 | 171.6 | 170.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 385 | E | 35.4 | Very low | 31.7 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -66.6 | 139.6 | 160.6 | -75.1 | 167.1 | 78.9 | 0 | 0 | 109.1 | | |
| 386 | D | 30.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | trans | -143.4 | 135.6 | 157 | -146.7 | -23.4 | 0 | 0 | 0 | 111.2 | | |
| 387 | T | 27.1 | Very low | 32.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | | | trans | -87.6 | 141.9 | -178 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 388 | H | 27.6 | Very low | 31.7 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | | | trans | -162.9 | 159.6 | 142.1 | -105.7 | -65.8 | 0 | 0 | 0 | 112.1 | | |
| 389 | V | 29.6 | Very low | 32 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | | | trans | -112.6 | -170.3 | -166 | -140 | 0 | 0 | 0 | 0 | 111.2 | | |
| 390 | P | 43.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | | -106.5 | 164.5 | -122.5 | 41 | -27.3 | 0 | 0 | 0 | 115.8 | | |
| 391 | V | 26 | Very low | 32.6 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -146.5 | 133.3 | 165.7 | 179 | 0 | 0 | 0 | 0 | 111.2 | | |
| 392 | E | 33.4 | Very low | 33.1 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -97.6 | 147.9 | 164.5 | -64.4 | -167.7 | 132 | 0 | 0 | 112.1 | | |
| 393 | V | 30.3 | Very low | 34 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -148.5 | 137.4 | 141.8 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 394 | A | 33.1 | Very low | 34 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -104.6 | -142 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 395 | P | 44.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | -115.7 | 168.2 | -102.9 | 37.6 | -24.9 | 0 | 0 | 0 | 115 | | |
| 396 | V | 28.5 | Very low | 34.2 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -136 | 141.7 | 168.7 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 397 | V | 34.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -112.7 | 141.3 | 178.4 | 168.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 398 | E | 34.8 | Very low | 34.8 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -174.2 | 158.6 | 141.4 | -98.5 | -102.3 | 77.2 | 0 | 0 | 113.6 | | |
| 399 | E | 32.5 | Very low | 34.9 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | 66 | 120.2 | 163.6 | -147.1 | 173.2 | -173.3 | 0 | 0 | 122.4 | | |
| 400 | A | 35.1 | Very low | 35.3 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -135.7 | 153.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 401 | P | 38.4 | Very low | 35 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | | -149.1 | 167.1 | 106.4 | 35.4 | -17.4 | 0 | 0 | 0 | 117.4 | | |
| 402 | A | 40.7 | Very low | 35.5 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -79 | -153.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 403 | P | 46.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | cis | -144.8 | -160 | 9.9 | 33 | -5 | 0 | 0 | 0 | 116.8 | | |
| 404 | I | 32.6 | Very low | 35.2 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | 90.9 | 134.3 | 156.8 | -60.4 | 161.3 | 0 | 0 | 0 | 117.9 | | |
| 405 | E | 36.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | cis | -162.4 | 141.9 | -22.2 | -111.7 | 171.4 | -150.3 | 0 | 0 | 112 | | |
| 406 | I | 31.2 | Very low | 34.9 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | 37 | 122 | 138.4 | -54.8 | 165.2 | 0 | 0 | 0 | 121 | | |
| 407 | T | 31.4 | Very low | 35 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | | -153.2 | 149.6 | 122.3 | 12.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 408 | A | 39.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -140.6 | 139.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 409 | V | 29.8 | Very low | 34.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -137.2 | 135 | 163.5 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 410 | V | 37.1 | Very low | 34.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | -123.4 | 118.4 | -179.2 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 411 | E | 38.1 | Very low | 34.6 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -152.2 | 57.4 | 163.3 | -128.7 | 161.7 | -139.8 | 0 | 0 | 114.9 | | |
| 412 | K | 36.2 | Very low | 34 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | 32.7 | 104.1 | 133.4 | -172.3 | 179.5 | -177.5 | 172.2 | 0 | 119.1 | | |
| 413 | I | 29.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -125 | 156.9 | 142 | -73.3 | -178.7 | 0 | 0 | 0 | 108.2 | | |
| 414 | L | 28.3 | Very low | 33 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | trans | -94.9 | 136.9 | -167.5 | -67.2 | 160 | 0 | 0 | 0 | 112.9 | | |
| 415 | I | 35.2 | Very low | 32.9 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | | | trans | -137.6 | 128.8 | 164.5 | -50 | 174.9 | 0 | 0 | 0 | 107.5 | | |
| 416 | P | 36.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 145 Ų | 145 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | | | trans | -118.4 | 92.9 | 172.3 | 35.7 | -22.5 | 0 | 0 | 0 | 111.9 | | |
| 417 | A | 29.8 | Very low | 33 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -155.4 | 110.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 418 | E | 33.5 | Very low | 33 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -171.8 | 147.9 | 143.8 | -113.2 | 172.8 | -165.3 | 0 | 0 | 109.7 | | |
| 419 | V | 30.8 | Very low | 32.8 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | | | trans | -127.8 | 109.9 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 420 | V | 31.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -132.8 | 134.6 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 421 | L | 32.9 | Very low | 32.7 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -85.7 | 122.6 | -178.2 | -66.2 | 160.4 | 0 | 0 | 0 | 110.9 | | |
| 422 | V | 26.6 | Very low | 32.4 | Very low | 133 Ų | 133 | 141 Ų | 141 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | -138.8 | 137.5 | 158.8 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 423 | V | 31.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -87.9 | 130.2 | 171.1 | 171.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 424 | E | 35 | Very low | 32.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -132.9 | 157.9 | 161.7 | -139.4 | -170.9 | 155.6 | 0 | 0 | 112.5 | | |
| 425 | E | 30.6 | Very low | 32.9 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -80.4 | 158.5 | -161.5 | -165.6 | -174.2 | 160 | 0 | 0 | 113.9 | | |
| 426 | A | 36.7 | Very low | 32.6 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | | | trans | -107.4 | 123.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 427 | P | 33.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -79.1 | 144.1 | 177.2 | 30.8 | -34.2 | 0 | 0 | 0 | 113.5 | | |
| 428 | V | 29.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | -85.2 | 140.4 | -176 | 172.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 429 | A | 35.8 | Very low | 32 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | trans | -163.2 | 131.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 430 | T | 30.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 44.7 | 111.8 | 146 | 50.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 431 | E | 33.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | | 60.2 | 139.5 | 107 | -142.7 | -169.8 | 156.9 | 0 | 0 | 123.5 | | |
| 432 | A | 31.5 | Very low | 32.5 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | | | trans | 111.9 | 103.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 433 | V | 31.9 | Very low | 32.9 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | | | trans | 71.3 | 128.9 | 139.5 | -175.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 434 | P | 46.2 | Very low | 33 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -101.6 | 155.3 | 172.3 | 39.2 | -34.2 | 0 | 0 | 0 | 114.8 | | |
| 435 | V | 26.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | 169.8 | 122.9 | 160.5 | 139.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 436 | V | 30.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | | 67.1 | 115.9 | 72.2 | 179 | 0 | 0 | 0 | 0 | 114.7 | | |
| 437 | D | 30.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | 149.2 | 156 | 155.7 | -96.7 | -148.7 | 0 | 0 | 0 | 109.3 | | |
| 438 | E | 28.9 | Very low | 33.3 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | cis | 177.1 | 77.1 | -27 | -112.2 | -74.6 | 113.3 | 0 | 0 | 107.1 | | |
| 439 | G | 27.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 54.7 | -152.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 440 | P | 40.5 | Very low | 33.6 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | -141.7 | 173.3 | -24.3 | 37.2 | -18.4 | 0 | 0 | 0 | 116 | | |
| 441 | V | 29 | Very low | 33.7 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | 69.6 | 116.6 | 159.5 | -153.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 442 | L | 36.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | | -152.8 | 159.6 | 116.1 | -83.7 | -159.1 | 0 | 0 | 0 | 109.7 | | |
| 443 | V | 33.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | -138.8 | 141.4 | -168.8 | 171 | 0 | 0 | 0 | 0 | 109.1 | | |
| 444 | E | 34.4 | Very low | 33.3 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | | 179.9 | 125.3 | 128.3 | -98.2 | -172 | 145.7 | 0 | 0 | 115.9 | | |
| 445 | V | 31.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 74.7 | 145 | 143.9 | -176 | 0 | 0 | 0 | 0 | 121.3 | | |
| 446 | V | 37.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -142 | 134.7 | -172.4 | 165.5 | 0 | 0 | 0 | 0 | 108.8 | V448 | V446-V448 HydrophobicContact CG1-CG2 3.92Š|
| 447 | P | 39.2 | Very low | 33.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -146.1 | 153.2 | 110.9 | 37.3 | -20.6 | 0 | 0 | 0 | 113.3 | | |
| 448 | V | 33.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | cis | 72.6 | 106.6 | 43.3 | 179.9 | 0 | 0 | 0 | 0 | 114.9 | V446 | V446-V448 HydrophobicContact CG1-CG2 3.92Š|
| 449 | V | 32.8 | Very low | 33.8 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -155.2 | 122.2 | 141.7 | 173 | 0 | 0 | 0 | 0 | 108.4 | | |
| 450 | E | 38.5 | Very low | 34.2 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -94.6 | 158.9 | 151.2 | -71.4 | -174.6 | 97.9 | 0 | 0 | 108.6 | | |
| 451 | E | 34.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -176.1 | 175.3 | 134.4 | -103.9 | -56.8 | 162.9 | 0 | 0 | 112.3 | | |
| 452 | T | 27.6 | Very low | 33.8 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | | | trans | -118.4 | 161.8 | -159.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | | |
| 453 | S | 29.9 | Very low | 33.5 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 167.3 | 146.5 | 136.1 | -78.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 454 | T | 30.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -98 | -162.3 | 159.3 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 455 | P | 42.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | cis | -146.9 | -161.9 | 8 | 44.5 | -22 | 0 | 0 | 0 | 117 | | |
| 456 | A | 29.1 | Very low | 33.7 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | 70.5 | 157.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 457 | E | 31.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | cis | -172.1 | 174 | -23.9 | -167.6 | -161.9 | 129.4 | 0 | 0 | 108.5 | | |
| 458 | V | 32.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 91.4 | 144.5 | 160.6 | -167.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 459 | A | 38.1 | Very low | 34.2 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -118.2 | 165.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 460 | P | 34.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -90.6 | 169.8 | 173.6 | 36.4 | -34.9 | 0 | 0 | 0 | 114.3 | | |
| 461 | V | 27.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | | | trans | -128.1 | 157.2 | -173.8 | 166.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 462 | V | 33.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -53 | 139.8 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 463 | E | 31.6 | Very low | 33.3 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 165.9 | 155.4 | 136.3 | -97.2 | -174.5 | 163.1 | 0 | 0 | 109.8 | | |
| 464 | E | 30.2 | Very low | 33.2 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | -149.3 | -169.6 | -10.1 | -149.7 | -153.1 | 143.1 | 0 | 0 | 109 | | |
| 465 | A | 35.8 | Very low | 32.9 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | -122 | -150.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 466 | P | 36.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | | | cis | -143.8 | 148.6 | -16.8 | 41.8 | -22.7 | 0 | 0 | 0 | 118.1 | | |
| 467 | V | 33.6 | Very low | 32.4 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | 62.8 | -173 | 140.3 | -47.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 468 | P | 58.9 | Low | 33.2 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | | -138.7 | -172.4 | -116.6 | 42.1 | -17.8 | 0 | 0 | 0 | 119.2 | | |
| 469 | T | 29.2 | Very low | 32.9 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -157.8 | 162.2 | 165.4 | 27.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 470 | E | 31.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | cis | 87.5 | 142.5 | 19.1 | -69.2 | -157.1 | 117.2 | 0 | 0 | 117 | | |
| 471 | V | 29.5 | Very low | 32.5 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | | | cis | -158.7 | 139.5 | 5.5 | -107 | 0 | 0 | 0 | 0 | 114.6 | | |
| 472 | V | 27.8 | Very low | 32.8 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | 67.4 | 146.5 | 133.8 | 173.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 473 | A | 25.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | trans | 77.7 | 153.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 474 | V | 26.2 | Very low | 32.8 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | | | cis | -165 | 155 | -6.9 | 124 | 0 | 0 | 0 | 0 | 111.2 | | |
| 475 | V | 26 | Very low | 33 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | 22.5 | 131.6 | 149.8 | -172.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 476 | E | 28.5 | Very low | 32.7 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | -165.8 | 173.9 | 67.9 | -154.9 | 164.8 | 173.1 | 0 | 0 | 114 | | |
| 477 | A | 31 | Very low | 32.6 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | -148.6 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 478 | P | 48.3 | Very low | 32.5 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | cis | -123.7 | 166.6 | -48.9 | 36.4 | -24 | 0 | 0 | 0 | 112 | | |
| 479 | A | 27.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -150 | 138.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 480 | S | 33.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -104.4 | 147 | 172.4 | -179 | 0 | 0 | 0 | 0 | 110.2 | | |
| 481 | T | 29.4 | Very low | 31.7 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -152 | 131.4 | 167.3 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 482 | E | 35.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -93.5 | 131.9 | -179.7 | 172.4 | -159.7 | 131.4 | 0 | 0 | 110.8 | | |
| 483 | V | 33.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -144.2 | 143.6 | 163.2 | -173.6 | 0 | 0 | 0 | 0 | 110 | | |
| 484 | A | 30.6 | Very low | 33.2 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | | | trans | -68.3 | 158.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 485 | P | 33.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -73.7 | 148.4 | 178.3 | 30.8 | -36.6 | 0 | 0 | 0 | 113.5 | | |
| 486 | V | 29.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | -104.3 | 138.4 | 171 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 487 | M | 34.2 | Very low | 35.6 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -81.2 | 143.1 | 179.5 | -48.3 | -164.7 | 86.1 | 0 | 0 | 111.4 | | |
| 488 | Q | 32 | Very low | 36.6 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -145.2 | 104.4 | 164.1 | -151.2 | 160.8 | 14.2 | 0 | 0 | 113.6 | | |
| 489 | E | 31.6 | Very low | 36.5 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | 46.2 | 123.9 | 142 | -58.6 | 179.7 | 118.8 | 0 | 0 | 121.6 | | |
| 490 | T | 32.9 | Very low | 37.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 134.7 | 169.9 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 491 | P | 38.6 | Very low | 38.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 162.8 | 157.7 | 33.9 | -32.5 | 0 | 0 | 0 | 111.7 | | |
| 492 | V | 33.2 | Very low | 39 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -100 | 150.7 | -174.4 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 493 | L | 42.3 | Very low | 39.9 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -44 | 126.9 | 173.9 | 178.6 | 157.6 | 0 | 0 | 0 | 114 | | |
| 494 | V | 38.4 | Very low | 40.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -147.3 | 129.4 | 162.3 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 495 | D | 35.8 | Very low | 41.2 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | 21.9 | 113.5 | 169.2 | -62.1 | -56.6 | 0 | 0 | 0 | 121.2 | | |
| 496 | S | 52.6 | Low | 41.9 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -81.5 | 108 | 169.3 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 497 | S | 43.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 173.7 | 44.1 | 156.5 | 40.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 498 | K | 52 | Low | 42.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 68% | 0.683 | 78% | 0.776 | S | S | * | * | | | trans | -139 | 115.2 | 175.3 | -68.7 | 176.2 | -174.1 | 155.5 | 0 | 110.5 | Y500 | K498-Y500 HydrophobicContact CB-CD2 4.43Å; K498-Y500 HydrophobicContact CB-CE2 3.71Å; K498-Y500 WeakPolarHBondContact O-CD2 3.41Å; K498-Y500 WeakPolarHBondContact O-CE2 3.41Å |
| 499 | E | 46.3 | Very low | 43.4 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | -76.8 | 134.4 | 170.9 | -62.3 | -179.5 | 143.6 | 0 | 0 | 109.6 | | |
| 500 | Y | 41.8 | Very low | 44.2 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | | | trans | -121.2 | 113.3 | 178.2 | -66.4 | -87.8 | 0 | 0 | 0 | 108.9 | K498 V502 | K498-Y500 HydrophobicContact CB-CD2 4.43Å; K498-Y500 HydrophobicContact CB-CE2 3.71Å; K498-Y500 WeakPolarHBondContact O-CD2 3.41Å; K498-Y500 WeakPolarHBondContact O-CE2 3.41Å; Y500-V502 PolarHBondContact O-N 3.04Å |
| 501 | I | 52 | Low | 44.9 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -77.2 | 108.5 | 178 | -49.3 | 178.7 | 0 | 0 | 0 | 109.1 | V503 | I501-V503 HydrophobicContact CG2-CG2 3.62Å; I501-V503 PolarHBondContact O-N 3.41Å |
| 502 | V | 48 | Very low | 45.5 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | -89.9 | 85.8 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | Y500 V504 | Y500-V502 PolarHBondContact O-N 3.04Å; V502-V504 HydrophobicContact CG1-CG2 4.08Å; V502-V504 PolarHBondContact O-N 3.08Å; V502-V504 VanDerWaalsContact O-N 3.11Å |
| 503 | V | 53.5 | Low | 46.2 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | trans | -76.2 | 96.9 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | I501 L505 | I501-V503 HydrophobicContact CG2-CG2 3.62Å; I501-V503 PolarHBondContact O-N 3.41Å; V503-L505 HydrophobicContact CG1-CG 4.3Å; V503-L505 PolarHBondContact O-N 2.99Å |
| 504 | V | 50.2 | Low | 46.5 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -84.2 | 102.8 | 169.2 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | V502 E506 | V502-V504 HydrophobicContact CG1-CG2 4.08Å; V502-V504 PolarHBondContact O-N 3.08Å; V502-V504 VanDerWaalsContact O-N 3.11Å; V504-E506 PolarHBondContact O-N 3.07Å |
| 505 | L | 43.2 | Very low | 47 | Very low | 155 Ų | 155 | 152 Ų | 152 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -79.4 | 106 | 169 | -79.2 | 164.5 | 0 | 0 | 0 | 109.5 | V503 G507 | V503-L505 HydrophobicContact CG1-CG 4.3Å; V503-L505 PolarHBondContact O-N 2.99Å; L505-G507 PolarHBondContact O-N 3.1Å |
| 506 | E | 47.8 | Very low | 47.6 | Very low | 201 Ų | 201 | 154.5 Ų | 154.5 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 95.1 | 164.3 | -79.1 | -158.1 | 119.3 | 0 | 0 | 110 | V504 | V504-E506 PolarHBondContact O-N 3.07Š|
| 507 | G | 41.4 | Very low | 47.2 | Very low | 58 Ų | 58 | 155.3 Ų | 155.3 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | | | trans | -147.6 | 120.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L505 P509 | L505-G507 PolarHBondContact O-N 3.1Å; G507-P509 VanDerWaalsContact O-CD 3.3Å; G507-P509 WeakPolarHBondContact O-CD 3.46Å |
| 508 | T | 40.9 | Very low | 47.2 | Very low | 135 Ų | 135 | 157.6 Ų | 157.6 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -64.7 | 116.1 | -178.1 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | K510 | T508-K510 PolarHBondContact O-N 3.09Š|
| 509 | P | 45.6 | Very low | 46.8 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -75.6 | 115.9 | -174.2 | 29.2 | -33.6 | 0 | 0 | 0 | 110.9 | G507 E511 | G507-P509 VanDerWaalsContact O-CD 3.3Å; G507-P509 WeakPolarHBondContact O-CD 3.46Å; P509-E511 PolarHBondContact O-N 3.27Å |
| 510 | K | 46.8 | Very low | 46.7 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 113.2 | 164.5 | -73.3 | -174.2 | 176.8 | -179.9 | 0 | 109.8 | T508 | T508-K510 PolarHBondContact O-N 3.09Š|
| 511 | E | 49.2 | Very low | 47 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 66.1 | 105.3 | 156.8 | -64 | 173.3 | -170.5 | 0 | 0 | 119 | P509 K513 | P509-E511 PolarHBondContact O-N 3.27Å; E511-K513 PolarHBondContact O-N 3.5Å |
| 512 | E | 49.9 | Very low | 46.5 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | | | trans | 46.1 | 42.1 | 142.1 | -57 | -150.4 | 143.1 | 0 | 0 | 120.2 | | |
| 513 | K | 48.8 | Very low | 46.8 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | | | trans | -120.1 | 121.4 | 158.5 | -74.2 | 173.5 | -175.4 | 160.5 | 0 | 111.2 | E511 | E511-K513 PolarHBondContact O-N 3.5Š|
| 514 | R | 48.6 | Very low | 46.4 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -57 | 139.2 | 178.5 | -59.7 | -178.9 | -176.6 | -164.7 | -0.4 | 109.7 | K516 | R514-K516 PolarHBondContact O-N 3.3Å; R514-K516 VanDerWaalsContact O-N 3.1Å |
| 515 | P | 49.2 | Very low | 46.5 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -60.2 | 117.9 | 177.3 | 24.7 | -33.3 | 0 | 0 | 0 | 109.9 | V517 | P515-V517 PolarHBondContact O-N 3.06Š|
| 516 | K | 48.8 | Very low | 46.3 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | -75.2 | 107.8 | 171.2 | -75.8 | -176.1 | 176.5 | -179.3 | 0 | 108 | R514 L518 | R514-K516 PolarHBondContact O-N 3.3Å; R514-K516 VanDerWaalsContact O-N 3.1Å; K516-L518 PolarHBondContact O-N 2.99Å |
| 517 | V | 44.4 | Very low | 46.2 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -68.6 | 97.7 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | P515 | P515-V517 PolarHBondContact O-N 3.06Š|
| 518 | L | 43.5 | Very low | 46.4 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | | | trans | -68.7 | 138 | 163.3 | -85.8 | 154.2 | 0 | 0 | 0 | 108.5 | K516 | K516-L518 PolarHBondContact O-N 2.99Š|
| 519 | G | 42.9 | Very low | 47 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | -70.2 | 137.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114 | G521 | G519-G521 PolarHBondContact O-N 3.42Š|
| 520 | V | 43.6 | Very low | 47.3 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -75.4 | 105.6 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 521 | G | 47.8 | Very low | 47.5 | Very low | 58 Ų | 58 | 146 Ų | 146 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | | | trans | -99.9 | 140.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G519 | G519-G521 PolarHBondContact O-N 3.42Š|
| 522 | P | 43.1 | Very low | 47.3 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -68.3 | 147.4 | 170.7 | 29.8 | -33.9 | 0 | 0 | 0 | 110.8 | T524 | P522-T524 PolarHBondContact O-N 3.16Š|
| 523 | M | 53.4 | Low | 47 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 97% | 0.966 | 81% | 0.814 | S | S | * | * | | | trans | -57.1 | 99.5 | 178.7 | -78.8 | -74.2 | -166.6 | 0 | 0 | 111.7 | | |
| 524 | T | 44.7 | Very low | 46.8 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | -125.8 | 115.7 | 160.3 | 51.5 | 0 | 0 | 0 | 0 | 107.7 | P522 R526 | P522-T524 PolarHBondContact O-N 3.16Å; T524-R526 PolarHBondContact O-N 3.1Å |
| 525 | G | 52 | Low | 46.5 | Very low | 90 Ų | 90 | 135 Ų | 135 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 90.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 526 | R | 40.4 | Very low | 46.2 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | | | trans | -139.3 | 120.5 | 158.8 | -76.9 | -170.4 | 172.5 | 158.4 | -0.5 | 109.5 | T524 I528 | T524-R526 PolarHBondContact O-N 3.1Å; R526-I528 PolarHBondContact O-N 3.44Å |
| 527 | I | 45.8 | Very low | 46.3 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 121.8 | 168.1 | -60.3 | 164.2 | 0 | 0 | 0 | 106.9 | | |
| 528 | I | 44.2 | Very low | 46.3 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -95.8 | 114.3 | 170 | -60.1 | 175.4 | 0 | 0 | 0 | 106 | R526 | R526-I528 PolarHBondContact O-N 3.44Š|
| 529 | P | 53.4 | Low | 46.4 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.1 | 170.2 | -22 | 33.9 | 0 | 0 | 0 | 110 | | |
| 530 | A | 52 | Low | 46.2 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 141.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E532 | A530-E532 PolarHBondContact O-N 3.48Š|
| 531 | P | 51.3 | Low | 46.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127 | 171 | 29.2 | -32.9 | 0 | 0 | 0 | 109.2 | | |
| 532 | E | 45.5 | Very low | 46.3 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 139.5 | 173.7 | -63.8 | -178.4 | -141 | 0 | 0 | 109.9 | A530 D534 | A530-E532 PolarHBondContact O-N 3.48Å; E532-D534 PolarHBondContact O-N 3.47Å |
| 533 | D | 43.5 | Very low | 46.5 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 96% | 0.957 | 84% | 0.838 | S | S | * | * | | | trans | -83 | 60.5 | -169.3 | -125 | -39.5 | 0 | 0 | 0 | 111.5 | G535 | D533-G535 PolarHBondContact O-N 2.75Š|
| 534 | D | 43.8 | Very low | 46.1 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -96.8 | 88.2 | -174.2 | -142.3 | -7.5 | 0 | 0 | 0 | 111.7 | E532 | E532-D534 PolarHBondContact O-N 3.47Š|
| 535 | G | 42.4 | Very low | 46.1 | Very low | 55 Ų | 55 | 141.7 Ų | 141.7 | 57% | 0.567 | 84% | 0.835 | S | S | * | * | | | trans | -117.1 | 132.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | D533 | D533-G535 PolarHBondContact O-N 2.75Š|
| 536 | T | 43.9 | Very low | 45.7 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | cis | -175.5 | -166.3 | 36.3 | 48.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 537 | P | 49.7 | Very low | 46.1 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | | -111.7 | -176.9 | -61.5 | 37.2 | -24.6 | 0 | 0 | 0 | 111.1 | | |
| 538 | A | 45 | Very low | 46.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | -64.6 | 153.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 539 | S | 45.9 | Very low | 46.3 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -149.2 | 114 | 166.3 | -71.6 | 0 | 0 | 0 | 0 | 111 | | |
| 540 | E | 39.3 | Very low | 45.7 | Very low | 270 Ų | 270 | 138.8 Ų | 138.8 | 100% | 1.262 | 84% | 0.842 | S | S | * | * | | | trans | -123.4 | 0 | 156.6 | -175.7 | -178.5 | 116.5 | 0 | 0 | 107 | | |