| 1 | M | 61.9 | Low | 70.5 | Confident | 240 Ų | 240 | 132 Ų | 132 | 100% | 1.182 | 68% | 0.683 | S | S | * | * | | | | 0 | 30.9 | 0 | -58.3 | -176 | -78.1 | 0 | 0 | 114.1 | | |
| 2 | K | 60.9 | Low | 71.1 | Confident | 194 Ų | 194 | 125.8 Ų | 125.8 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | | | trans | -98.3 | -26.4 | -179.4 | -71.2 | -172.1 | 177.1 | -177.5 | 0 | 115.2 | S4 | K2-S4 VanDerWaalsContact C-N 3.35Å; K2-S4 PolarHBondContact O-N 3.36Å |
| 3 | Q | 61 | Low | 71.2 | Confident | 175 Ų | 175 | 123.7 Ų | 123.7 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.3 | -24 | -173.9 | -72.9 | 164.8 | -40.7 | 0 | 0 | 115 | L5 L7 | Q3-L5 PolarHBondContact O-N 3.47Å; Q3-L7 PolarHBondContact O-N 3.45Å |
| 4 | S | 67.4 | Low | 71.5 | Confident | 88 Ų | 88 | 117.4 Ų | 117.4 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.2 | -43 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | K2 T6 L7 V8 | K2-S4 VanDerWaalsContact C-N 3.35Å; K2-S4 PolarHBondContact O-N 3.36Å; S4-T6 PolarHBondContact O-N 3.23Å; S4-L7 PolarHBondContact O-N 3.17Å; S4-L7 VanDerWaalsContact O-N 3.17Å; S4-V8 PolarHBondContact O-N 3.34Å |
| 5 | L | 66.8 | Low | 71.1 | Confident | 124 Ų | 124 | 120.5 Ų | 120.5 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.2 | -36.9 | -175.5 | -119.3 | 161.2 | 0 | 0 | 0 | 112.7 | Q3 F9 | Q3-L5 PolarHBondContact O-N 3.47Å; L5-F9 HydrophobicContact CD2-CD2 4.22Å; L5-F9 HydrophobicContact CD2-CE2 4.25Å; L5-F9 PolarHBondContact O-N 3.39Å |
| 6 | T | 72 | Confident | 70.4 | Confident | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -39.3 | 175.2 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | S4 F9 L10 | S4-T6 PolarHBondContact O-N 3.23Å; T6-F9 PolarHBondContact O-N 3.14Å; T6-L10 HydrophobicContact CG2-CD1 4.28Å; T6-L10 WeakPolarHBondContact O-CG 3.4Å; T6-L10 PolarHBondContact O-N 3.19Å |
| 7 | L | 72.9 | Confident | 69.7 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.1 | -39.3 | -178.1 | -162.9 | 149.7 | 0 | 0 | 0 | 111.5 | Q3 S4 L10 V11 | Q3-L7 PolarHBondContact O-N 3.45Å; S4-L7 PolarHBondContact O-N 3.17Å; S4-L7 VanDerWaalsContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.07Å; L7-V11 HydrophobicContact CD2-CG2 4.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.03Å; L7-V11 VanDerWaalsContact O-N 3.14Å |
| 8 | V | 77.8 | Confident | 69.1 | Low | 90 Ų | 90 | 110.3 Ų | 110.3 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.9 | -44.1 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | S4 L10 V11 A12 | S4-V8 PolarHBondContact O-N 3.34Å; V8-L10 PolarHBondContact O-N 3.05Å; V8-V11 PolarHBondContact O-N 3.49Å; V8-A12 PolarHBondContact O-N 3.39Å |
| 9 | F | 76 | Confident | 68.1 | Low | 138 Ų | 138 | 113.3 Ų | 113.3 | 61% | 0.605 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 177.9 | -103 | -87.6 | 0 | 0 | 0 | 113 | L5 T6 A12 I13 | L5-F9 HydrophobicContact CD2-CD2 4.22Å; L5-F9 HydrophobicContact CD2-CE2 4.25Å; L5-F9 PolarHBondContact O-N 3.39Å; T6-F9 PolarHBondContact O-N 3.14Å; F9-A12 PolarHBondContact O-N 3.35Å; F9-I13 WeakPolarHBondContact O-CG1 3.42Å; F9-I13 PolarHBondContact O-N 3.39Å |
| 10 | L | 78.1 | Confident | 67.4 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.1 | -40 | 177.9 | -71.1 | 169.2 | 0 | 0 | 0 | 112.2 | T6 L7 V8 G14 | T6-L10 HydrophobicContact CG2-CD1 4.28Å; T6-L10 WeakPolarHBondContact O-CG 3.4Å; T6-L10 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 3.07Å; V8-L10 PolarHBondContact O-N 3.05Å; L10-G14 PolarHBondContact O-N 3.03Å |
| 11 | V | 81.1 | Confident | 66.6 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.7 | -41.9 | 175 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L7 V8 G14 Y15 | L7-V11 HydrophobicContact CD2-CG2 4.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.03Å; L7-V11 VanDerWaalsContact O-N 3.14Å; V8-V11 PolarHBondContact O-N 3.49Å; V11-G14 PolarHBondContact O-N 3.14Å; V11-Y15 HydrophobicContact CG1-CD2 4.47Å; V11-Y15 PolarHBondContact O-N 3.46Å |
| 12 | A | 76.9 | Confident | 66 | Low | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V8 F9 Y15 A16 | V8-A12 PolarHBondContact O-N 3.39Å; F9-A12 PolarHBondContact O-N 3.35Å; A12-Y15 PolarHBondContact O-N 3.01Å; A12-A16 PolarHBondContact O-N 3.36Å; A12-A16 VanDerWaalsContact O-N 3.14Å |
| 13 | I | 73.5 | Confident | 65.2 | Low | 98 Ų | 98 | 99.9 Ų | 99.9 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -45.5 | 175.5 | -67.4 | 164.4 | 0 | 0 | 0 | 110.4 | F9 Y15 A16 T17 | F9-I13 WeakPolarHBondContact O-CG1 3.42Å; F9-I13 PolarHBondContact O-N 3.39Å; I13-Y15 PolarHBondContact O-N 3.21Å; I13-A16 PolarHBondContact O-N 3.07Å; I13-T17 PolarHBondContact O-N 3.13Å; I13-T17 PolarHBondContact O-OG1 2.98Å; I13-T17 VanDerWaalsContact O-OG1 3.13Å |
| 14 | G | 75.4 | Confident | 64.4 | Low | 35 Ų | 35 | 97.4 Ų | 97.4 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L10 V11 A16 T17 A18 | L10-G14 PolarHBondContact O-N 3.03Å; V11-G14 PolarHBondContact O-N 3.14Å; G14-A16 PolarHBondContact O-N 3.42Å; G14-T17 PolarHBondContact O-N 3.21Å; G14-T17 PolarHBondContact O-OG1 2.93Å; G14-T17 VanDerWaalsContact O-OG1 3.09Å; G14-A18 VanDerWaalsContact O-CB 3.27Å; G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 3.23Å |
| 15 | Y | 65.2 | Low | 63.2 | Low | 164 Ų | 164 | 102.5 Ų | 102.5 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62 | -41.3 | 176.3 | -112.3 | -90.6 | 0 | 0 | 0 | 112.8 | V11 A12 I13 Y19 | V11-Y15 HydrophobicContact CG1-CD2 4.47Å; V11-Y15 PolarHBondContact O-N 3.46Å; A12-Y15 PolarHBondContact O-N 3.01Å; I13-Y15 PolarHBondContact O-N 3.21Å; Y15-Y19 HydrophobicContact CD1-CD2 4.48Å; Y15-Y19 PolarHBondContact O-N 3.48Å |
| 16 | A | 60.2 | Low | 61.9 | Low | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -46.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A12 I13 G14 A18 Y19 T20 | A12-A16 PolarHBondContact O-N 3.36Å; A12-A16 VanDerWaalsContact O-N 3.14Å; I13-A16 PolarHBondContact O-N 3.07Å; G14-A16 PolarHBondContact O-N 3.42Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.09Å; A16-Y19 PolarHBondContact O-N 3.13Å; A16-T20 PolarHBondContact O-N 3.45Å |
| 17 | T | 58.7 | Low | 60.4 | Low | 76 Ų | 76 | 100.3 Ų | 100.3 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.9 | -30.9 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | I13 G14 T20 T21 | I13-T17 PolarHBondContact O-N 3.13Å; I13-T17 PolarHBondContact O-OG1 2.98Å; I13-T17 VanDerWaalsContact O-OG1 3.13Å; G14-T17 PolarHBondContact O-N 3.21Å; G14-T17 PolarHBondContact O-OG1 2.93Å; G14-T17 VanDerWaalsContact O-OG1 3.09Å; T17-T20 PolarHBondContact O-OG1 2.67Å; T17-T20 VanDerWaalsContact O-OG1 3.13Å; T17-T21 WeakPolarHBondContact O-CB 3.27Å; T17-T21 PolarHBondContact O-N 2.89Å; T17-T21 VanDerWaalsContact O-N 3.09Å; T17-T21 PolarHBondContact O-OG1 3.47Å |
| 18 | A | 57.8 | Low | 58.7 | Low | 44 Ų | 44 | 98.1 Ų | 98.1 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.9 | -40.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | G14 A16 S22 | G14-A18 VanDerWaalsContact O-CB 3.27Å; G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 3.23Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.09Å; A18-S22 WeakPolarHBondContact O-CB 3.49Å; A18-S22 PolarHBondContact O-N 3.09Å; A18-S22 PolarHBondContact O-OG 3.28Å |
| 19 | Y | 51.2 | Low | 57 | Low | 166 Ų | 166 | 106 Ų | 106 | 65% | 0.651 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -37.7 | 178.6 | -111.5 | -85.5 | 0 | 0 | 0 | 113.6 | Y15 A16 | Y15-Y19 HydrophobicContact CD1-CD2 4.48Å; Y15-Y19 PolarHBondContact O-N 3.48Å; A16-Y19 PolarHBondContact O-N 3.13Å |
| 20 | T | 52.7 | Low | 55.1 | Low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.9 | -54 | 174.7 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | A16 T17 S22 H23 D24 | A16-T20 PolarHBondContact O-N 3.45Å; T17-T20 PolarHBondContact O-OG1 2.67Å; T17-T20 VanDerWaalsContact O-OG1 3.13Å; T20-S22 VanDerWaalsContact C-N 3.32Å; T20-S22 PolarHBondContact O-N 2.7Å; T20-H23 PolarHBondContact O-N 3.26Å; T20-H23 VanDerWaalsContact O-N 3.14Å; T20-D24 PolarHBondContact O-N 3.41Å |
| 21 | T | 51.7 | Low | 53.1 | Low | 70 Ų | 70 | 101.7 Ų | 101.7 | 43% | 0.429 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -31.8 | -176.6 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | T17 H23 D24 Y25 | T17-T21 WeakPolarHBondContact O-CB 3.27Å; T17-T21 PolarHBondContact O-N 2.89Å; T17-T21 VanDerWaalsContact O-N 3.09Å; T17-T21 PolarHBondContact O-OG1 3.47Å; T21-H23 VanDerWaalsContact C-N 3.29Å; T21-H23 PolarHBondContact O-N 3.14Å; T21-D24 PolarHBondContact O-N 3.29Å; T21-Y25 WeakPolarHBondContact O-CB 3.17Å; T21-Y25 PolarHBondContact O-N 2.95Å |
| 22 | S | 48.7 | Very low | 50.9 | Low | 79 Ų | 79 | 100.3 Ų | 100.3 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -23.8 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | A18 T20 | A18-S22 WeakPolarHBondContact O-CB 3.49Å; A18-S22 PolarHBondContact O-N 3.09Å; A18-S22 PolarHBondContact O-OG 3.28Å; T20-S22 VanDerWaalsContact C-N 3.32Å; T20-S22 PolarHBondContact O-N 2.7Å |
| 23 | H | 45.2 | Very low | 49.2 | Very low | 146 Ų | 146 | 102.3 Ų | 102.3 | 68% | 0.676 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.3 | -39.4 | 170.7 | -100.6 | -82.2 | 0 | 0 | 0 | 111.5 | T20 T21 | T20-H23 PolarHBondContact O-N 3.26Å; T20-H23 VanDerWaalsContact O-N 3.14Å; T21-H23 VanDerWaalsContact C-N 3.29Å; T21-H23 PolarHBondContact O-N 3.14Å |
| 24 | D | 43.6 | Very low | 47.6 | Very low | 123 Ų | 123 | 108.2 Ų | 108.2 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.6 | -22.1 | -178.8 | -62.3 | -36.3 | 0 | 0 | 0 | 114 | T20 T21 | T20-D24 PolarHBondContact O-N 3.41Å; T21-D24 PolarHBondContact O-N 3.29Å |
| 25 | Y | 42.1 | Very low | 46 | Very low | 195 Ų | 195 | 108.8 Ų | 108.8 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 26.1 | -174.4 | -85.1 | -94.7 | 0 | 0 | 0 | 115.5 | T21 G27 | T21-Y25 WeakPolarHBondContact O-CB 3.17Å; T21-Y25 PolarHBondContact O-N 2.95Å; Y25-G27 VanDerWaalsContact C-N 3.31Å |
| 26 | S | 40.3 | Very low | 45.1 | Very low | 110 Ų | 110 | 105.2 Ų | 105.2 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.6 | -0.7 | 173 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 27 | G | 40.3 | Very low | 44.3 | Very low | 58 Ų | 58 | 109.4 Ų | 109.4 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | | | trans | -128.8 | 134.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y25 | Y25-G27 VanDerWaalsContact C-N 3.31Š|
| 28 | G | 36.7 | Very low | 43.7 | Very low | 68 Ų | 68 | 108.6 Ų | 108.6 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | | | cis | 123.4 | 126.2 | 23.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | G30 | G28-G30 PolarHBondContact O-N 3.49Š|
| 29 | Y | 41.4 | Very low | 43.3 | Very low | 256 Ų | 256 | 113.5 Ų | 113.5 | 100% | 1.004 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66 | 99.5 | -169.6 | -84.1 | -108.9 | 0 | 0 | 0 | 112.3 | | |
| 30 | G | 37.1 | Very low | 42.8 | Very low | 76 Ų | 76 | 109.8 Ų | 109.8 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 109.1 | 126.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | G28 | G28-G30 PolarHBondContact O-N 3.49Š|
| 31 | G | 35.9 | Very low | 42.2 | Very low | 86 Ų | 86 | 109 Ų | 109 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | | | trans | 102.7 | 151.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 32 | G | 35.3 | Very low | 41.6 | Very low | 54 Ų | 54 | 116.1 Ų | 116.1 | 56% | 0.557 | 70% | 0.703 | S | S | * | * | | | trans | 101.9 | 69.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y34 | G32-Y34 PolarHBondContact O-N 3.2Š|
| 33 | C | 41.2 | Very low | 41.2 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 68% | 0.676 | 71% | 0.708 | S | S | * | * | | | trans | -75.5 | 102.9 | 155.9 | -153.5 | 0 | 0 | 0 | 0 | 108.1 | C38 | C33-C38 HydrophobicContact CB-CB 4.37Å; C33-C38 WeakPolarHBondContact CB-SG 3.13Å; C33-C38 WeakPolarHBondContact SG-CB 3.39Å; C33-C38 CovalentContact SG-SG 2.06Å; C33-C38 PolarHBondContact SG-SG 2.82Å |
| 34 | Y | 38.2 | Very low | 40.9 | Very low | 222 Ų | 222 | 116.2 Ų | 116.2 | 87% | 0.871 | 72% | 0.717 | S | S | * | * | | | trans | -131.3 | 92.1 | 179.5 | -71 | -68.1 | 0 | 0 | 0 | 110.9 | G32 | G32-Y34 PolarHBondContact O-N 3.2Š|
| 35 | G | 43.1 | Very low | 40.6 | Very low | 48 Ų | 48 | 116.1 Ų | 116.1 | 50% | 0.495 | 73% | 0.726 | S | S | . | * | S | Bend | trans | 178.8 | 154.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D37 C38 | G35-D37 PolarHBondContact O-N 2.89Å; G35-C38 PolarHBondContact O-N 3.22Å; G35-C38 PolarHBondContact O-SG 3.27Å |
| 36 | S | 45.7 | Very low | 40.4 | Very low | 89 Ų | 89 | 110 Ų | 110 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -19.4 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 113 | C38 | S36-C38 VanDerWaalsContact C-N 3.34Å; S36-C38 PolarHBondContact O-N 3.5Å |
| 37 | D | 43.5 | Very low | 40.2 | Very low | 146 Ų | 146 | 117.1 Ų | 117.1 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 17.2 | -176 | -48.6 | -80.4 | 0 | 0 | 0 | 113.6 | G35 D39 | G35-D37 PolarHBondContact O-N 2.89Å; D37-D39 PolarHBondContact O-N 3.28Å |
| 38 | C | 47.3 | Very low | 40 | Very low | 59 Ų | 59 | 117.7 Ų | 117.7 | 40% | 0.399 | 74% | 0.74 | S | S | . | * | | | trans | -66.8 | 14.6 | 164.5 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | C33 G35 S36 S40 | C33-C38 HydrophobicContact CB-CB 4.37Å; C33-C38 WeakPolarHBondContact CB-SG 3.13Å; C33-C38 WeakPolarHBondContact SG-CB 3.39Å; C33-C38 CovalentContact SG-SG 2.06Å; C33-C38 PolarHBondContact SG-SG 2.82Å; G35-C38 PolarHBondContact O-N 3.22Å; G35-C38 PolarHBondContact O-SG 3.27Å; S36-C38 VanDerWaalsContact C-N 3.34Å; S36-C38 PolarHBondContact O-N 3.5Å; C38-S40 PolarHBondContact O-N 3.2Å |
| 39 | D | 48.5 | Very low | 39.9 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -75.7 | 41.8 | 167 | -155.6 | -3.9 | 0 | 0 | 0 | 111.8 | D37 G41 | D37-D39 PolarHBondContact O-N 3.28Å; D39-G41 PolarHBondContact O-N 3.41Å; D39-G41 VanDerWaalsContact O-N 3.16Å |
| 40 | S | 40.5 | Very low | 39.7 | Very low | 88 Ų | 88 | 110.3 Ų | 110.3 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | trans | -83.1 | 69.8 | 160.6 | -75.3 | 0 | 0 | 0 | 0 | 108.5 | C38 Y42 | C38-S40 PolarHBondContact O-N 3.2Å; S40-Y42 PolarHBondContact O-N 3.24Å |
| 41 | G | 40.7 | Very low | 39.7 | Very low | 68 Ų | 68 | 111.3 Ų | 111.3 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | -65.2 | 66.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D39 G43 | D39-G41 PolarHBondContact O-N 3.41Å; D39-G41 VanDerWaalsContact O-N 3.16Å; G41-G43 PolarHBondContact O-N 2.06Å |
| 42 | Y | 38.4 | Very low | 40.3 | Very low | 220 Ų | 220 | 114.3 Ų | 114.3 | 86% | 0.863 | 74% | 0.737 | S | S | * | * | | | trans | -69.9 | 77.1 | 167.9 | -95.2 | -75.2 | 0 | 0 | 0 | 109.3 | S40 | S40-Y42 PolarHBondContact O-N 3.24Š|
| 43 | G | 40.6 | Very low | 40.2 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | trans | -128.6 | 47.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G41 S45 | G41-G43 PolarHBondContact O-N 2.06Å; G43-S45 VanDerWaalsContact C-N 3.3Å; G43-S45 PolarHBondContact O-N 2.96Å |
| 44 | D | 38.5 | Very low | 40 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | | | trans | -72.3 | 83.5 | -180 | -155.3 | -13.1 | 0 | 0 | 0 | 110.2 | | |
| 45 | S | 37.2 | Very low | 40.1 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | | | trans | -159.6 | 59.5 | -176.8 | -75.5 | 0 | 0 | 0 | 0 | 111.8 | G43 | G43-S45 VanDerWaalsContact C-N 3.3Å; G43-S45 PolarHBondContact O-N 2.96Å |
| 46 | G | 38 | Very low | 40.1 | Very low | 67 Ų | 67 | 111.7 Ų | 111.7 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | | | trans | -171.7 | 99.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G48 | G46-G48 PolarHBondContact O-N 3.16Š|
| 47 | Y | 35.6 | Very low | 39.5 | Very low | 260 Ų | 260 | 111.3 Ų | 111.3 | 100% | 1.02 | 75% | 0.747 | S | S | * | * | | | trans | -68.7 | 91.8 | 160.3 | -88 | -106.8 | 0 | 0 | 0 | 109.2 | | |
| 48 | G | 36.6 | Very low | 39 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | -172.6 | 111.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G46 | G46-G48 PolarHBondContact O-N 3.16Š|
| 49 | G | 34.5 | Very low | 38.2 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | | | trans | -70.6 | 151.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 50 | G | 37.6 | Very low | 37.4 | Very low | 78 Ų | 78 | 112.5 Ų | 112.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -162.3 | 80.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 51 | C | 38 | Very low | 37.1 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | trans | -87.1 | 132.4 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 52 | T | 47.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 112 Ų | 112 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | | | trans | -158.2 | 110.9 | 162.6 | 4.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 53 | G | 33.8 | Very low | 36.3 | Very low | 51 Ų | 51 | 104.7 Ų | 104.7 | 53% | 0.526 | 77% | 0.767 | S | S | . | * | S | Bend | trans | -154.9 | -3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K161 | G53-K161 PolarHBondContact O-NZ 2.85Š|
| 54 | G | 36.3 | Very low | 36 | Very low | 51 Ų | 51 | 112.9 Ų | 112.9 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | S | Bend | trans | 112.7 | 135.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C56 | G54-C56 PolarHBondContact O-N 2.97Š|
| 55 | D | 40.8 | Very low | 35.9 | Very low | 174 Ų | 174 | 108.9 Ų | 108.9 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | trans | 64.9 | 24.3 | 161.2 | -44.6 | -46 | 0 | 0 | 0 | 118.6 | | |
| 56 | C | 42.9 | Very low | 35.7 | Very low | 94 Ų | 94 | 106.8 Ų | 106.8 | 64% | 0.635 | 77% | 0.774 | S | S | * | * | | | trans | -83.7 | 105.7 | 158.9 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | G54 | G54-C56 PolarHBondContact O-N 2.97Š|
| 57 | G | 33.8 | Very low | 35.3 | Very low | 80 Ų | 80 | 107 Ų | 107 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -93.3 | 161 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 58 | G | 32.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 101 Ų | 101 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 101.2 | 113 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 59 | G | 29.8 | Very low | 35.4 | Very low | 62 Ų | 62 | 103.2 Ų | 103.2 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | | 102.3 | 126.8 | 55.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 60 | Y | 33.1 | Very low | 35.1 | Very low | 238 Ų | 238 | 102.6 Ų | 102.6 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | | | cis | -152.9 | 151.7 | 20 | -57.2 | -96.6 | 0 | 0 | 0 | 111.5 | | |
| 61 | G | 33.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | | | trans | 83.2 | 151.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 62 | G | 32.1 | Very low | 34.1 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | | | cis | 168.7 | 117.3 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 63 | G | 29.5 | Very low | 33.9 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | 77.2 | 166 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 64 | Y | 35.7 | Very low | 33.6 | Very low | 236 Ų | 236 | 104.3 Ų | 104.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | cis | -143.8 | 142 | -4.5 | -46.2 | -91 | 0 | 0 | 0 | 108.9 | | |
| 65 | G | 36.2 | Very low | 33.3 | Very low | 80 Ų | 80 | 108.1 Ų | 108.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | 158 | 31.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 66 | G | 32.5 | Very low | 32.9 | Very low | 75 Ų | 75 | 109.9 Ų | 109.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 163.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 67 | G | 29.6 | Very low | 32.3 | Very low | 72 Ų | 72 | 109.3 Ų | 109.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 68 | C | 38 | Very low | 32.1 | Very low | 133 Ų | 133 | 109.6 Ų | 109.6 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 126.7 | 177.3 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 69 | S | 36.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 109 Ų | 109 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -123.7 | 90.1 | -173.6 | -69.4 | 0 | 0 | 0 | 0 | 112 | | |
| 70 | G | 27.6 | Very low | 32.3 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 91 | 117.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 71 | G | 25.5 | Very low | 32.2 | Very low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | 101.2 | 116.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 72 | D | 30.7 | Very low | 32 | Very low | 160 Ų | 160 | 109.8 Ų | 109.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | 38 | 117.6 | 145.3 | -44.1 | -39.8 | 0 | 0 | 0 | 118 | | |
| 73 | C | 42.1 | Very low | 32 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | cis | -148.9 | 172.5 | 29.3 | -77 | 0 | 0 | 0 | 0 | 109.4 | | |
| 74 | G | 28.6 | Very low | 32.2 | Very low | 64 Ų | 64 | 116.5 Ų | 116.5 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | cis | 86.3 | 137.5 | 36.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 75 | N | 30 | Very low | 31.8 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -168 | 160.6 | -0 | -129.1 | -23 | 0 | 0 | 0 | 112.7 | | |
| 76 | Y | 30.9 | Very low | 31.3 | Very low | 211 Ų | 211 | 110.5 Ų | 110.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 51.3 | 143.7 | 157.2 | -59.1 | -58.9 | 0 | 0 | 0 | 125.1 | | |
| 77 | G | 30.6 | Very low | 31 | Very low | 82 Ų | 82 | 109 Ų | 109 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | 95.1 | 138.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 78 | G | 30.4 | Very low | 31 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | cis | 116.1 | 115.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 79 | G | 28.1 | Very low | 31.2 | Very low | 66 Ų | 66 | 110.8 Ų | 110.8 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | trans | 163.3 | 152.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 80 | Y | 38.2 | Very low | 31.6 | Very low | 243 Ų | 243 | 108.2 Ų | 108.2 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | | | trans | -149.5 | 165.6 | -179.2 | -45.3 | -93 | 0 | 0 | 0 | 111.6 | | |
| 81 | G | 29.8 | Very low | 32.2 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | 110.3 | 160.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 82 | G | 29.4 | Very low | 32.6 | Very low | 74 Ų | 74 | 115.9 Ų | 115.9 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | | | cis | 171.8 | 152.5 | -3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 83 | D | 31.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 110.4 Ų | 110.4 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | | | trans | -77.6 | 126.8 | -160.7 | -55.5 | -95 | 0 | 0 | 0 | 117.2 | | |
| 84 | C | 34.2 | Very low | 32 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | trans | -160.3 | 142.5 | 146.6 | -114.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 85 | N | 27.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 107 Ų | 107 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | | | cis | 78.8 | 148.5 | 12.5 | -154.7 | 9.7 | 0 | 0 | 0 | 116.6 | | |
| 86 | G | 25.9 | Very low | 31.7 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | | | trans | 95.3 | 51.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 87 | G | 26.8 | Very low | 31.5 | Very low | 44 Ų | 44 | 106.2 Ų | 106.2 | 45% | 0.454 | 73% | 0.731 | S | S | . | * | S | Bend | trans | 146.2 | 106.3 | 158 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y92 | G87-Y92 WeakPolarHBondContact O-CB 3.5Å; G87-Y92 WeakPolarHBondContact O-CD2 3.33Å |
| 88 | D | 29.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 106.1 Ų | 106.1 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | 61.5 | 175.4 | -178.6 | -61.4 | -23.6 | 0 | 0 | 0 | 115.8 | Y92 G93 | D88-Y92 CarbonylContact O-C 3.04Å; D88-Y92 WeakPolarHBondContact O-CA 3.16Å; D88-Y92 WeakPolarHBondContact O-CB 3.26Å; D88-Y92 PolarHBondContact O-N 2.77Å; D88-Y92 VanDerWaalsContact O-N 3.11Å; D88-G93 PolarHBondContact O-N 2.89Å |
| 89 | C | 41.4 | Very low | 31 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -162.8 | 122.7 | -172.5 | 177.2 | 0 | 0 | 0 | 0 | 112 | | |
| 90 | G | 44.7 | Very low | 31.1 | Very low | 63 Ų | 63 | 110.8 Ų | 110.8 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -64.8 | 179.2 | -12 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y92 | G90-Y92 PolarHBondContact O-N 2.84Š|
| 91 | N | 41.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 103 Ų | 103 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 71.2 | -2.7 | -161.2 | -153.3 | 50.6 | 0 | 0 | 0 | 115.2 | | |
| 92 | Y | 32.1 | Very low | 30.9 | Very low | 138 Ų | 138 | 103.3 Ų | 103.3 | 54% | 0.541 | 73% | 0.733 | S | S | . | * | S | Bend | | -152.1 | -120.3 | 127.1 | -85.4 | -66.7 | 0 | 0 | 0 | 109.8 | G87 D88 G90 | G87-Y92 WeakPolarHBondContact O-CB 3.5Å; G87-Y92 WeakPolarHBondContact O-CD2 3.33Å; D88-Y92 CarbonylContact O-C 3.04Å; D88-Y92 WeakPolarHBondContact O-CA 3.16Å; D88-Y92 WeakPolarHBondContact O-CB 3.26Å; D88-Y92 PolarHBondContact O-N 2.77Å; D88-Y92 VanDerWaalsContact O-N 3.11Å; G90-Y92 PolarHBondContact O-N 2.84Å |
| 93 | G | 32.3 | Very low | 31 | Very low | 45 Ų | 45 | 102.9 Ų | 102.9 | 46% | 0.464 | 73% | 0.729 | S | S | . | * | | | trans | -162.4 | 156.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | D88 | D88-G93 PolarHBondContact O-N 2.89Š|
| 94 | G | 29.3 | Very low | 31.1 | Very low | 68 Ų | 68 | 98.9 Ų | 98.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | 105.8 | 114.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 95 | G | 25.2 | Very low | 31.4 | Very low | 52 Ų | 52 | 100.4 Ų | 100.4 | 54% | 0.536 | 73% | 0.725 | S | S | . | * | | | trans | 153.4 | 112.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 96 | Y | 26.4 | Very low | 31.8 | Very low | 238 Ų | 238 | 97.7 Ų | 97.7 | 93% | 0.933 | 73% | 0.728 | S | S | * | * | | | trans | 48.8 | 131.6 | 149.5 | 0.6 | -89 | 0 | 0 | 0 | 122.8 | | |
| 97 | G | 27 | Very low | 32.1 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 88% | 0.876 | 73% | 0.729 | S | S | * | * | | | trans | 100.9 | 128.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 98 | G | 26.1 | Very low | 32.4 | Very low | 80 Ų | 80 | 103.6 Ų | 103.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | cis | 171.4 | 143.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 99 | G | 24.8 | Very low | 33 | Very low | 76 Ų | 76 | 100.9 Ų | 100.9 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | | | trans | 95.6 | 139.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 100 | N | 30 | Very low | 32.7 | Very low | 175 Ų | 175 | 100.2 Ų | 100.2 | 94% | 0.936 | 75% | 0.75 | S | S | * | * | | | trans | 22.6 | 107.2 | 160.8 | -63.5 | -5.7 | 0 | 0 | 0 | 119.5 | | |
| 101 | G | 33.7 | Very low | 32 | Very low | 80 Ų | 80 | 101.1 Ų | 101.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | 172.9 | 47.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 102 | G | 28.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 96.4 Ų | 96.4 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -66.9 | 134.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 103 | G | 32.7 | Very low | 31.3 | Very low | 66 Ų | 66 | 98.9 Ų | 98.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | -158.7 | 85.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S105 | G103-S105 PolarHBondContact O-N 3.05Å; G103-S105 VanDerWaalsContact O-N 3.14Å |
| 104 | C | 34.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 56% | 0.561 | 78% | 0.778 | S | S | * | * | | | trans | -75.2 | 102.5 | -173.2 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | G106 C109 | C104-G106 VanDerWaalsContact C-N 3.3Å; C104-G106 PolarHBondContact O-N 3Å; C104-C109 HydrophobicContact CB-CB 3.64Å; C104-C109 WeakPolarHBondContact CB-SG 2.98Å; C104-C109 WeakPolarHBondContact SG-CB 2.95Å; C104-C109 CovalentContact SG-SG 2.02Å; C104-C109 PolarHBondContact SG-SG 3.5Å |
| 105 | S | 39.4 | Very low | 31.4 | Very low | 131 Ų | 131 | 108.8 Ų | 108.8 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -82.3 | 56 | -179.9 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | G103 | G103-S105 PolarHBondContact O-N 3.05Å; G103-S105 VanDerWaalsContact O-N 3.14Å |
| 106 | G | 36.8 | Very low | 31.7 | Very low | 73 Ų | 73 | 109.7 Ų | 109.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 161.3 | 60.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | C104 | C104-G106 VanDerWaalsContact C-N 3.3Å; C104-G106 PolarHBondContact O-N 3Å |
| 107 | G | 31.6 | Very low | 32 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 78.7 | 117.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C109 | G107-C109 PolarHBondContact O-N 3.29Š|
| 108 | N | 33.3 | Very low | 32.3 | Very low | 167 Ų | 167 | 109.5 Ų | 109.5 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | 51.9 | 56.6 | 161.4 | -60.2 | 13.2 | 0 | 0 | 0 | 116.9 | G110 | N108-G110 PolarHBondContact O-N 2.78Š|
| 109 | C | 42.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 110 Ų | 110 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | | | trans | -69 | 107.4 | 147.7 | -76.9 | 0 | 0 | 0 | 0 | 108.7 | C104 G107 | C104-C109 HydrophobicContact CB-CB 3.64Å; C104-C109 WeakPolarHBondContact CB-SG 2.98Å; C104-C109 WeakPolarHBondContact SG-CB 2.95Å; C104-C109 CovalentContact SG-SG 2.02Å; C104-C109 PolarHBondContact SG-SG 3.5Å; G107-C109 PolarHBondContact O-N 3.29Å |
| 110 | G | 33.6 | Very low | 32.9 | Very low | 82 Ų | 82 | 111 Ų | 111 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -86.8 | 140.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N108 | N108-G110 PolarHBondContact O-N 2.78Š|
| 111 | G | 30.1 | Very low | 32.8 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | 178.1 | 137.4 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 112 | G | 28.8 | Very low | 32.7 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | cis | 127.8 | 85.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 113 | F | 30.2 | Very low | 32.6 | Very low | 190 Ų | 190 | 111.9 Ų | 111.9 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | | | trans | -0.8 | 130.8 | 155.4 | -39.2 | -73.4 | 0 | 0 | 0 | 116.4 | | |
| 114 | D | 32.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 115.7 Ų | 115.7 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | cis | -135.8 | -141.4 | 1.1 | -77.4 | -46.7 | 0 | 0 | 0 | 109.2 | | |
| 115 | E | 31.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 122.3 Ų | 122.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | cis | -162.1 | -159.2 | 9.3 | -152.1 | -118.3 | 93.1 | 0 | 0 | 110.3 | | |
| 116 | A | 31.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 58% | 0.579 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 68.1 | 52.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 117 | F | 32.2 | Very low | 32.2 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | | 178.1 | 124.2 | 117.5 | -101.1 | -69.6 | 0 | 0 | 0 | 110.6 | A119 | F117-A119 PolarHBondContact O-N 2.83Å; F117-A119 VanDerWaalsContact O-N 3.1Å |
| 118 | P | 35.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -76.5 | 99.6 | 172.8 | 30.5 | -32.8 | 0 | 0 | 0 | 110.1 | P120 | P118-P120 VanDerWaalsContact O-CD 3.26Å; P118-P120 WeakPolarHBondContact O-CD 3.32Å |
| 119 | A | 32.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 115.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F117 | F117-A119 PolarHBondContact O-N 2.83Å; F117-A119 VanDerWaalsContact O-N 3.1Å |
| 120 | P | 30.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -71.3 | 144.4 | 165.7 | 32 | -33.6 | 0 | 0 | 0 | 109.3 | P118 | P118-P120 VanDerWaalsContact O-CD 3.26Å; P118-P120 WeakPolarHBondContact O-CD 3.32Å |
| 121 | Y | 26.7 | Very low | 31.8 | Very low | 225 Ų | 225 | 122.1 Ų | 122.1 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 71.4 | 120 | 179.8 | -42.6 | -75.6 | 0 | 0 | 0 | 115.6 | | |
| 122 | G | 31.2 | Very low | 32 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | 99.2 | 87 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 123 | G | 27 | Very low | 32.4 | Very low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | | | cis | 106.6 | 46.4 | 8.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y125 | G123-Y125 WeakPolarHBondContact O-CD2 3.22Å; G123-Y125 WeakPolarHBondContact O-CE2 3.33Å |
| 124 | D | 38.8 | Very low | 32.5 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | 62.4 | -175.3 | 170.2 | -65.5 | -57.5 | 0 | 0 | 0 | 117.5 | | |
| 125 | Y | 30.4 | Very low | 32.9 | Very low | 222 Ų | 222 | 122.2 Ų | 122.2 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | | | trans | 75.6 | 60.7 | 167.7 | -42.8 | -70.9 | 0 | 0 | 0 | 119 | G123 | G123-Y125 WeakPolarHBondContact O-CD2 3.22Å; G123-Y125 WeakPolarHBondContact O-CE2 3.33Å |
| 126 | G | 32.5 | Very low | 32.9 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | -140.4 | 113.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G128 | G126-G128 PolarHBondContact O-N 2.8Š|
| 127 | N | 33 | Very low | 33.2 | Very low | 171 Ų | 171 | 119.4 Ų | 119.4 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | | | | 42.1 | 21.8 | 68.6 | -79.7 | -10.6 | 0 | 0 | 0 | 115.7 | G129 | N127-G129 PolarHBondContact O-N 2.95Š|
| 128 | G | 30.5 | Very low | 33.3 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 54.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G126 | G126-G128 PolarHBondContact O-N 2.8Š|
| 129 | G | 33.1 | Very low | 33.2 | Very low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 3.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N127 G131 | N127-G129 PolarHBondContact O-N 2.95Å; G129-G131 PolarHBondContact O-N 2.78Å |
| 130 | N | 33.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -73.6 | 60.2 | 171.8 | -86.1 | -10.9 | 0 | 0 | 0 | 111.4 | F132 | N130-F132 HydrophobicContact CB-CD2 4.05Å; N130-F132 HydrophobicContact CB-CE2 4.1Å; N130-F132 PolarHBondContact O-N 2.75Å |
| 131 | G | 35.8 | Very low | 33.5 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | -68.5 | 65.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G129 G133 | G129-G131 PolarHBondContact O-N 2.78Å; G131-G133 PolarHBondContact O-N 3.1Å |
| 132 | F | 34 | Very low | 33.7 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | trans | -66.3 | 75 | 163.1 | -76.8 | -75 | 0 | 0 | 0 | 108.6 | N130 K134 | N130-F132 HydrophobicContact CB-CD2 4.05Å; N130-F132 HydrophobicContact CB-CE2 4.1Å; N130-F132 PolarHBondContact O-N 2.75Å; F132-K134 PolarHBondContact O-N 2.93Å |
| 133 | G | 37.9 | Very low | 33.8 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | -66.2 | 66.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G131 G135 | G131-G133 PolarHBondContact O-N 3.1Å; G133-G135 PolarHBondContact O-N 3.23Å |
| 134 | K | 32.6 | Very low | 34 | Very low | 186 Ų | 186 | 127 Ų | 127 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | | | trans | -66.6 | 73.8 | 160.4 | -73 | -173.7 | 176.3 | -179.8 | 0 | 107.5 | F132 G136 | F132-K134 PolarHBondContact O-N 2.93Å; K134-G136 PolarHBondContact O-N 2.74Å |
| 135 | G | 39.4 | Very low | 33.8 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | -65.8 | 69.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | G133 | G133-G135 PolarHBondContact O-N 3.23Š|
| 136 | G | 30.9 | Very low | 33.7 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | -133.8 | 14 | -154.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K134 K138 | K134-G136 PolarHBondContact O-N 2.74Å; G136-K138 PolarHBondContact O-N 2.02Å; G136-K138 VanDerWaalsContact O-N 3.1Å |
| 137 | S | 37.9 | Very low | 33.5 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 88.7 | 167.2 | -65 | 0 | 0 | 0 | 0 | 109.8 | G139 | S137-G139 PolarHBondContact O-N 2.74Š|
| 138 | K | 34.9 | Very low | 33.1 | Very low | 218 Ų | 218 | 119.4 Ų | 119.4 | 95% | 0.948 | 78% | 0.777 | S | S | * | * | | | trans | -65.1 | 82.7 | 156.8 | -84.8 | -174.6 | 173.6 | 178.8 | 0 | 108.4 | G136 | G136-K138 PolarHBondContact O-N 2.02Å; G136-K138 VanDerWaalsContact O-N 3.1Å |
| 139 | G | 34.3 | Very low | 33.3 | Very low | 53 Ų | 53 | 119 Ų | 119 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | | | trans | -115 | 117.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | S137 N141 | S137-G139 PolarHBondContact O-N 2.74Å; G139-N141 PolarHBondContact O-N 3.45Å |
| 140 | N | 32.8 | Very low | 33.1 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | -76.4 | 78.6 | -176.9 | -76.5 | -17 | 0 | 0 | 0 | 112.3 | Y142 | N140-Y142 HydrophobicContact CB-CD2 4.1Å; N140-Y142 HydrophobicContact CB-CE2 4.33Å; N140-Y142 PolarHBondContact O-N 2.87Å |
| 141 | N | 35.5 | Very low | 33.4 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -79.9 | 68.4 | 168.7 | -83.1 | 11.2 | 0 | 0 | 0 | 111.8 | G139 G143 | G139-N141 PolarHBondContact O-N 3.45Å; N141-G143 PolarHBondContact O-N 3.06Å |
| 142 | Y | 30.9 | Very low | 33.3 | Very low | 220 Ų | 220 | 126.1 Ų | 126.1 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | | | trans | -72.4 | 65.1 | 155.9 | -70.1 | -79.2 | 0 | 0 | 0 | 109.5 | N140 | N140-Y142 HydrophobicContact CB-CD2 4.1Å; N140-Y142 HydrophobicContact CB-CE2 4.33Å; N140-Y142 PolarHBondContact O-N 2.87Å |
| 143 | G | 33.7 | Very low | 33.4 | Very low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | | | trans | -128.5 | 117.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N141 G145 | N141-G143 PolarHBondContact O-N 3.06Å; G143-G145 PolarHBondContact O-N 3.1Å |
| 144 | K | 31.2 | Very low | 33.1 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -72.7 | 112.1 | 178.3 | -66.9 | 178.7 | 179.1 | 177.4 | 0 | 110.3 | Y146 | K144-Y146 HydrophobicContact CB-CE1 4.16Å; K144-Y146 HydrophobicContact CB-CE2 4.28Å; K144-Y146 VanDerWaalsContact O-CE2 3.32Å; K144-Y146 WeakPolarHBondContact O-CE2 3.46Å |
| 145 | G | 33.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 124.9 Ų | 124.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -113.8 | 142.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | G143 | G143-G145 PolarHBondContact O-N 3.1Š|
| 146 | Y | 28.7 | Very low | 32.9 | Very low | 201 Ų | 201 | 124.9 Ų | 124.9 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | trans | -116.4 | 120.9 | -157.4 | -54.1 | -91.6 | 0 | 0 | 0 | 114 | K144 | K144-Y146 HydrophobicContact CB-CE1 4.16Å; K144-Y146 HydrophobicContact CB-CE2 4.28Å; K144-Y146 VanDerWaalsContact O-CE2 3.32Å; K144-Y146 WeakPolarHBondContact O-CE2 3.46Å |
| 147 | G | 27.8 | Very low | 33.2 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 77.8 | 153.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 148 | G | 26.5 | Very low | 33.1 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | | | trans | 92.2 | 99 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 149 | G | 32.6 | Very low | 33.5 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 175.9 | 80.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G151 | G149-G151 VanDerWaalsContact C-N 3.34Å; G149-G151 PolarHBondContact O-N 3.14Å |
| 150 | S | 30.7 | Very low | 33.7 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 92% | 0.923 | 82% | 0.824 | S | S | * | * | | | trans | -74.4 | 77.1 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 151 | G | 38.8 | Very low | 34 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | | | trans | -99.8 | 100.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | G149 G153 | G149-G151 VanDerWaalsContact C-N 3.34Å; G149-G151 PolarHBondContact O-N 3.14Å; G151-G153 VanDerWaalsContact C-N 3.31Å; G151-G153 PolarHBondContact O-N 3.27Å |
| 152 | K | 35.1 | Very low | 34.4 | Very low | 220 Ų | 220 | 122.2 Ų | 122.2 | 96% | 0.957 | 82% | 0.821 | S | S | * | * | | | trans | -73.1 | 79.8 | 167.6 | -78.6 | -179.1 | 176.5 | 173.4 | 0 | 111 | | |
| 153 | G | 35.9 | Very low | 34.9 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | | | trans | -99.2 | 65.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G151 G155 | G151-G153 VanDerWaalsContact C-N 3.31Å; G151-G153 PolarHBondContact O-N 3.27Å; G153-G155 PolarHBondContact O-N 2.96Å |
| 154 | K | 31.7 | Very low | 35 | Very low | 224 Ų | 224 | 122.7 Ų | 122.7 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | | | trans | -84.4 | 90.5 | 166 | -86.7 | -167.6 | 176 | -175.8 | 0 | 110.2 | | |
| 155 | G | 36.2 | Very low | 35.7 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | -178.3 | 136 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G153 | G153-G155 PolarHBondContact O-N 2.96Š|
| 156 | G | 30.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 118 Ų | 118 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | | | cis | 116.2 | 75.8 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 157 | G | 37.2 | Very low | 36.6 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | | | trans | 172.4 | 102.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G159 | G157-G159 PolarHBondContact O-N 2.96Š|
| 158 | K | 37.3 | Very low | 37.3 | Very low | 214 Ų | 214 | 120.8 Ų | 120.8 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | | | trans | -73.2 | 106.9 | 156.2 | -73.7 | -176.7 | 177.3 | -179 | 0 | 106.2 | G160 | K158-G160 PolarHBondContact O-N 2.93Š|
| 159 | G | 42.3 | Very low | 38.2 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | G157 | G157-G159 PolarHBondContact O-N 2.96Š|
| 160 | G | 38.3 | Very low | 39.1 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 145.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K158 G162 | K158-G160 PolarHBondContact O-N 2.93Å; G160-G162 PolarHBondContact O-N 3.42Å |
| 161 | K | 38.7 | Very low | 39.4 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.1 | 162 | -71.4 | -178.5 | 175.9 | 178.8 | 0 | 107.5 | G53 | G53-K161 PolarHBondContact O-NZ 2.85Š|
| 162 | G | 45.7 | Very low | 39.4 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 141.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G160 | G160-G162 PolarHBondContact O-N 3.42Š|
| 163 | G | 39.9 | Very low | 39.7 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 142.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G165 | G163-G165 PolarHBondContact O-N 3.11Š|
| 164 | K | 36.3 | Very low | 39.6 | Very low | 212 Ų | 212 | 130.6 Ų | 130.6 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 122.4 | 167.2 | -67.4 | -173.5 | 175.7 | -171.9 | 0 | 109.5 | | |
| 165 | G | 45.9 | Very low | 40 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G163 | G163-G165 PolarHBondContact O-N 3.11Š|
| 166 | G | 42.3 | Very low | 40 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 144.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 167 | T | 40.2 | Very low | 40.6 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138 | 176.8 | -45.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 168 | Y | 41.6 | Very low | 40.7 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | trans | -135.9 | 113.8 | 160.3 | -178.9 | -101.2 | 0 | 0 | 0 | 111.3 | P170 | Y168-P170 VanDerWaalsContact CE1-CD 3.47Å; Y168-P170 HydrophobicContact CE1-CG 3.99Å; Y168-P170 HydrophobicContact CE2-CG 3.87Å; Y168-P170 VanDerWaalsContact CZ-CD 3.44Å; Y168-P170 VanDerWaalsContact CZ-CG 3.49Å; Y168-P170 WeakPolarHBondContact OH-CG 3.44Å |
| 169 | K | 44.8 | Very low | 40.9 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | trans | -148.5 | 110.9 | 163.9 | -98.2 | -166.1 | 178.3 | -178.5 | 0 | 109.8 | | |
| 170 | P | 51.4 | Low | 40.8 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 53% | 0.526 | 82% | 0.82 | S | S | . | * | | | trans | -114.6 | 165.5 | 153.3 | 36.5 | -27.7 | 0 | 0 | 0 | 110.8 | Y168 | Y168-P170 VanDerWaalsContact CE1-CD 3.47Å; Y168-P170 HydrophobicContact CE1-CG 3.99Å; Y168-P170 HydrophobicContact CE2-CG 3.87Å; Y168-P170 VanDerWaalsContact CZ-CD 3.44Å; Y168-P170 VanDerWaalsContact CZ-CG 3.49Å; Y168-P170 WeakPolarHBondContact OH-CG 3.44Å |
| 171 | S | 38.1 | Very low | 41 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 82% | 0.824 | S | S | * | * | | | cis | -174.9 | 123.4 | -29.2 | 179.5 | 0 | 0 | 0 | 0 | 107 | | |
| 172 | H | 38.7 | Very low | 41.1 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 82% | 0.819 | 83% | 0.825 | S | S | * | * | | | trans | 25.6 | 102.6 | 156.5 | -59.4 | -81.6 | 0 | 0 | 0 | 120.5 | | |
| 173 | Y | 40.6 | Very low | 40.8 | Very low | 242 Ų | 242 | 141.3 Ų | 141.3 | 95% | 0.949 | 83% | 0.83 | S | S | * | * | | | | -120.6 | 151.9 | 122.7 | -76 | -99.5 | 0 | 0 | 0 | 106.8 | | |
| 174 | G | 33.7 | Very low | 40.9 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | cis | 141.1 | 72.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 175 | G | 39.9 | Very low | 41.2 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | 160.7 | 140 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 176 | G | 36.8 | Very low | 40.8 | Very low | 76 Ų | 76 | 146.2 Ų | 146.2 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | | | cis | 129.9 | 59.8 | -12 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 177 | Y | 42.1 | Very low | 40.7 | Very low | 304 Ų | 304 | 152.1 Ų | 152.1 | 100% | 1.192 | 83% | 0.828 | S | S | * | * | | | trans | -158.9 | 0 | 154.8 | 45.8 | -104.6 | 0 | 0 | 0 | 109.5 | | |