| 1 | M | 56.7 | Low | 66.5 | Low | 228 Ų | 228 | 133.8 Ų | 133.8 | 100% | 1.123 | 70% | 0.695 | S | S | * | * | | | | 0 | 6.6 | 0 | -57.6 | -168.2 | -73.4 | 0 | 0 | 114.9 | Q3 | M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.46Å |
| 2 | K | 60.5 | Low | 66 | Low | 202 Ų | 202 | 127.5 Ų | 127.5 | 88% | 0.878 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | -178.8 | -65.4 | -179.7 | 179.1 | -178.5 | 0 | 115.2 | S4 | K2-S4 VanDerWaalsContact C-N 3.27Å; K2-S4 PolarHBondContact O-N 3.23Å |
| 3 | Q | 60.9 | Low | 65.8 | Low | 177 Ų | 177 | 125.8 Ų | 125.8 | 83% | 0.827 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.2 | -18.7 | -178.9 | -68.9 | -175.3 | -18.3 | 0 | 0 | 114.2 | M1 L5 | M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.46Å; Q3-L5 PolarHBondContact O-N 3.36Å |
| 4 | S | 67 | Low | 65.2 | Low | 88 Ų | 88 | 119.6 Ų | 119.6 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69 | -31.1 | -177.7 | 152.2 | 0 | 0 | 0 | 0 | 113.1 | K2 | K2-S4 VanDerWaalsContact C-N 3.27Å; K2-S4 PolarHBondContact O-N 3.23Å |
| 5 | L | 66 | Low | 64.5 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 63% | 0.634 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.8 | -30.8 | -171.8 | -147.3 | 142 | 0 | 0 | 0 | 112.2 | Q3 V8 F9 | Q3-L5 PolarHBondContact O-N 3.36Å; L5-V8 PolarHBondContact O-N 3.44Å; L5-F9 HydrophobicContact CD2-CD2 4.01Å; L5-F9 HydrophobicContact CD2-CE2 3.88Å; L5-F9 PolarHBondContact O-N 3.46Å |
| 6 | T | 70.9 | Confident | 63.7 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 56% | 0.564 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 176.6 | -46.6 | 0 | 0 | 0 | 0 | 112.2 | V8 F9 L10 | T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.48Å; T6-F9 PolarHBondContact O-N 3.22Å; T6-L10 PolarHBondContact O-N 3.37Å |
| 7 | L | 69.4 | Low | 62.9 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.9 | -41 | 179.2 | -166.6 | 84.7 | 0 | 0 | 0 | 111.4 | F9 L10 V11 | L7-F9 VanDerWaalsContact C-N 3.34Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.46Å |
| 8 | V | 72 | Confident | 62.2 | Low | 96 Ų | 96 | 113.6 Ų | 113.6 | 58% | 0.582 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -40.2 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | L5 T6 V11 A12 | L5-V8 PolarHBondContact O-N 3.44Å; T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.48Å; V8-V11 PolarHBondContact O-N 3.31Å; V8-A12 PolarHBondContact O-N 3.43Å; V8-A12 VanDerWaalsContact O-N 3.17Å |
| 9 | F | 68.6 | Low | 61.3 | Low | 131 Ų | 131 | 113.6 Ų | 113.6 | 58% | 0.575 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -39.4 | 178.1 | -97.9 | -88 | 0 | 0 | 0 | 113 | L5 T6 L7 A12 I13 | L5-F9 HydrophobicContact CD2-CD2 4.01Å; L5-F9 HydrophobicContact CD2-CE2 3.88Å; L5-F9 PolarHBondContact O-N 3.46Å; T6-F9 PolarHBondContact O-N 3.22Å; L7-F9 VanDerWaalsContact C-N 3.34Å; L7-F9 PolarHBondContact O-N 3.46Å; F9-A12 PolarHBondContact O-N 3.34Å; F9-I13 WeakPolarHBondContact O-CG1 3.43Å; F9-I13 PolarHBondContact O-N 3.01Å; F9-I13 VanDerWaalsContact O-N 3.17Å |
| 10 | L | 70.7 | Confident | 60.4 | Low | 116 Ų | 116 | 113.5 Ų | 113.5 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 178.8 | -70.2 | 171.4 | 0 | 0 | 0 | 112.4 | T6 L7 A12 I13 G14 | T6-L10 PolarHBondContact O-N 3.37Å; L7-L10 PolarHBondContact O-N 3.26Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-I13 PolarHBondContact O-N 3.49Å; L10-G14 PolarHBondContact O-N 3.03Å |
| 11 | V | 69.4 | Low | 59.4 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 61% | 0.606 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.1 | L7 V8 G14 Y15 | L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.46Å; V8-V11 PolarHBondContact O-N 3.31Å; V11-G14 PolarHBondContact O-N 2.99Å; V11-Y15 WeakPolarHBondContact O-CB 3.36Å; V11-Y15 PolarHBondContact O-N 3.08Å |
| 12 | A | 60.5 | Low | 58.5 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V8 F9 L10 Y15 A16 | V8-A12 PolarHBondContact O-N 3.43Å; V8-A12 VanDerWaalsContact O-N 3.17Å; F9-A12 PolarHBondContact O-N 3.34Å; L10-A12 VanDerWaalsContact C-N 3.34Å; A12-Y15 PolarHBondContact O-N 3.33Å; A12-A16 PolarHBondContact O-N 3.48Å; A12-A16 VanDerWaalsContact O-N 3.08Å |
| 13 | I | 63.4 | Low | 57.4 | Low | 106 Ų | 106 | 104.7 Ų | 104.7 | 54% | 0.544 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 177.5 | -63.7 | 167.3 | 0 | 0 | 0 | 110.2 | F9 L10 Y15 A16 T17 | F9-I13 WeakPolarHBondContact O-CG1 3.43Å; F9-I13 PolarHBondContact O-N 3.01Å; F9-I13 VanDerWaalsContact O-N 3.17Å; L10-I13 PolarHBondContact O-N 3.49Å; I13-Y15 VanDerWaalsContact C-N 3.33Å; I13-Y15 PolarHBondContact O-N 3.17Å; I13-A16 PolarHBondContact O-N 3.44Å; I13-T17 PolarHBondContact O-N 3.17Å; I13-T17 VanDerWaalsContact O-N 3.1Å; I13-T17 PolarHBondContact O-OG1 3.27Å; I13-T17 VanDerWaalsContact O-OG1 3.12Å |
| 14 | G | 57.1 | Low | 56.3 | Low | 38 Ų | 38 | 103 Ų | 103 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.9 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L10 V11 T17 A18 | L10-G14 PolarHBondContact O-N 3.03Å; V11-G14 PolarHBondContact O-N 2.99Å; G14-T17 PolarHBondContact O-OG1 2.9Å; G14-A18 PolarHBondContact O-N 3.11Å |
| 15 | Y | 54.7 | Low | 54.7 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 62% | 0.616 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.8 | -41.6 | 178 | -163.3 | -98.9 | 0 | 0 | 0 | 112 | V11 A12 I13 T17 A18 H19 | V11-Y15 WeakPolarHBondContact O-CB 3.36Å; V11-Y15 PolarHBondContact O-N 3.08Å; A12-Y15 PolarHBondContact O-N 3.33Å; I13-Y15 VanDerWaalsContact C-N 3.33Å; I13-Y15 PolarHBondContact O-N 3.17Å; Y15-T17 PolarHBondContact O-N 3.12Å; Y15-A18 PolarHBondContact O-N 3.1Å; Y15-H19 AromaticContact CD1-CD2 3.79Å; Y15-H19 AromaticContact CD1-NE2 3.95Å; Y15-H19 AromaticContact CE1-CD2 3.5Å; Y15-H19 AromaticContact CE1-NE2 3.26Å; Y15-H19 VanDerWaalsContact CE1-NE2 3.26Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.14Å; Y15-H19 AromaticContact CE2-NE2 3.65Å; Y15-H19 AromaticContact CZ-CD2 3.81Å; Y15-H19 AromaticContact CZ-NE2 3.09Å; Y15-H19 PolarHBondContact O-CD2 2.78Å; Y15-H19 VanDerWaalsContact O-CD2 3.29Å; Y15-H19 PolarHBondContact OH-NE2 3.08Å; Y15-H19 VanDerWaalsContact OH-NE2 3.16Å |
| 16 | A | 52.1 | Low | 53.6 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.7 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A12 I13 A18 H19 | A12-A16 PolarHBondContact O-N 3.48Å; A12-A16 VanDerWaalsContact O-N 3.08Å; I13-A16 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.32Å; A16-H19 PolarHBondContact O-N 3.4Å |
| 17 | T | 49.7 | Very low | 51.8 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.3 | -18.4 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | I13 G14 Y15 T21 | I13-T17 PolarHBondContact O-N 3.17Å; I13-T17 VanDerWaalsContact O-N 3.1Å; I13-T17 PolarHBondContact O-OG1 3.27Å; I13-T17 VanDerWaalsContact O-OG1 3.12Å; G14-T17 PolarHBondContact O-OG1 2.9Å; Y15-T17 PolarHBondContact O-N 3.12Å; T17-T21 PolarHBondContact O-OG1 3.44Å |
| 18 | A | 49.5 | Very low | 49.9 | Very low | 65 Ų | 65 | 105.5 Ų | 105.5 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -79.3 | -25.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G14 Y15 A16 | G14-A18 PolarHBondContact O-N 3.11Å; Y15-A18 PolarHBondContact O-N 3.1Å; A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.32Å |
| 19 | H | 45.4 | Very low | 48.3 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 53% | 0.532 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -90.7 | -19.4 | -174.3 | -78.8 | -77.9 | 0 | 0 | 0 | 115.1 | Y15 A16 | Y15-H19 AromaticContact CD1-CD2 3.79Å; Y15-H19 AromaticContact CD1-NE2 3.95Å; Y15-H19 AromaticContact CE1-CD2 3.5Å; Y15-H19 AromaticContact CE1-NE2 3.26Å; Y15-H19 VanDerWaalsContact CE1-NE2 3.26Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.14Å; Y15-H19 AromaticContact CE2-NE2 3.65Å; Y15-H19 AromaticContact CZ-CD2 3.81Å; Y15-H19 AromaticContact CZ-NE2 3.09Å; Y15-H19 PolarHBondContact O-CD2 2.78Å; Y15-H19 VanDerWaalsContact O-CD2 3.29Å; Y15-H19 PolarHBondContact OH-NE2 3.08Å; Y15-H19 VanDerWaalsContact OH-NE2 3.16Å; A16-H19 PolarHBondContact O-N 3.4Å |
| 20 | T | 43.2 | Very low | 46.8 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -103.8 | 0.1 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 115 | | |
| 21 | T | 39.3 | Very low | 45.2 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | | | trans | -130.3 | 32.1 | -180 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | T17 H23 | T17-T21 PolarHBondContact O-OG1 3.44Å; T21-H23 PolarHBondContact O-N 3.49Å |
| 22 | S | 37.9 | Very low | 44 | Very low | 105 Ų | 105 | 106 Ų | 106 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | | | trans | -88.1 | 57.1 | 151.6 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | D24 | S22-D24 PolarHBondContact O-N 3.23Š|
| 23 | H | 38.2 | Very low | 42.9 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 68% | 0.676 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -71.5 | 113.9 | 150.7 | -115.4 | -76.6 | 0 | 0 | 0 | 105.7 | T21 Y25 | T21-H23 PolarHBondContact O-N 3.49Å; H23-Y25 PolarHBondContact O-N 3.45Å |
| 24 | D | 37.5 | Very low | 42 | Very low | 143 Ų | 143 | 114.3 Ų | 114.3 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | | | trans | 48.2 | 34.1 | 142.3 | -54.6 | -50.2 | 0 | 0 | 0 | 117.7 | S22 S26 | S22-D24 PolarHBondContact O-N 3.23Å; D24-S26 PolarHBondContact O-N 3.38Å |
| 25 | Y | 33.8 | Very low | 41 | Very low | 225 Ų | 225 | 114.8 Ų | 114.8 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | | | trans | -78.3 | 80.7 | 164.3 | -115.6 | -90 | 0 | 0 | 0 | 108.9 | H23 G27 | H23-Y25 PolarHBondContact O-N 3.45Å; Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.45Å |
| 26 | S | 41.2 | Very low | 40.4 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 39.9 | 40.2 | 143.1 | -173.6 | 0 | 0 | 0 | 0 | 118 | D24 | D24-S26 PolarHBondContact O-N 3.38Š|
| 27 | G | 33.5 | Very low | 39.6 | Very low | 56 Ų | 56 | 117.7 Ų | 117.7 | 58% | 0.577 | 72% | 0.72 | S | S | * | * | | | trans | -154.1 | 2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y25 Y29 | Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.45Å; G27-Y29 VanDerWaalsContact O-CD2 3.31Å; G27-Y29 WeakPolarHBondContact O-CD2 3.26Å; G27-Y29 PolarHBondContact O-N 3.27Å |
| 28 | G | 30.5 | Very low | 39.5 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | -96.6 | 86 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | G30 | G28-G30 PolarHBondContact O-N 3.46Å; G28-G30 VanDerWaalsContact O-N 3.12Å |
| 29 | Y | 37.4 | Very low | 39 | Very low | 238 Ų | 238 | 122 Ų | 122 | 93% | 0.933 | 74% | 0.736 | S | S | * | * | | | trans | 20.7 | 83.6 | 135.8 | -69.2 | -94.5 | 0 | 0 | 0 | 116.1 | G27 | G27-Y29 VanDerWaalsContact O-CD2 3.31Å; G27-Y29 WeakPolarHBondContact O-CD2 3.26Å; G27-Y29 PolarHBondContact O-N 3.27Å |
| 30 | G | 37.5 | Very low | 38.5 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | -143.1 | 53.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G28 | G28-G30 PolarHBondContact O-N 3.46Å; G28-G30 VanDerWaalsContact O-N 3.12Å |
| 31 | G | 37.9 | Very low | 37.9 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | trans | 77.8 | 158.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 32 | G | 43.2 | Very low | 37.5 | Very low | 55 Ų | 55 | 126.2 Ų | 126.2 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | | | trans | 102.2 | 67.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y34 | G32-Y34 VanDerWaalsContact O-CD2 3.29Å; G32-Y34 WeakPolarHBondContact O-CD2 3.33Å; G32-Y34 PolarHBondContact O-N 3.29Å; G32-Y34 VanDerWaalsContact O-N 3.11Å |
| 33 | C | 37.3 | Very low | 37.3 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 115.1 | 161.8 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | C38 | C33-C38 WeakPolarHBondContact CB-SG 3.31Š|
| 34 | Y | 44.2 | Very low | 37.3 | Very low | 235 Ų | 235 | 125.1 Ų | 125.1 | 92% | 0.922 | 77% | 0.769 | S | S | * | * | | | trans | -97.2 | 92.2 | 168.7 | -78 | -87.6 | 0 | 0 | 0 | 108.4 | G32 | G32-Y34 VanDerWaalsContact O-CD2 3.29Å; G32-Y34 WeakPolarHBondContact O-CD2 3.33Å; G32-Y34 PolarHBondContact O-N 3.29Å; G32-Y34 VanDerWaalsContact O-N 3.11Å |
| 35 | G | 37.5 | Very low | 37.1 | Very low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 77% | 0.773 | S | S | . | * | S | Bend | trans | 173.4 | 148.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D37 | G35-D37 PolarHBondContact O-N 3.16Š|
| 36 | S | 40.8 | Very low | 37 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -1.2 | -177.8 | -41.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 37 | D | 36.5 | Very low | 36.9 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 27.7 | -171.8 | -52.7 | -53.5 | 0 | 0 | 0 | 113 | G35 D39 | G35-D37 PolarHBondContact O-N 3.16Å; D37-D39 PolarHBondContact O-N 3.15Å |
| 38 | C | 46.9 | Very low | 37.1 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 57% | 0.574 | 78% | 0.782 | S | S | * | * | | | trans | -82 | 61.2 | 168.5 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | C33 | C33-C38 WeakPolarHBondContact CB-SG 3.31Š|
| 39 | D | 39.2 | Very low | 37.3 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -100.8 | 82.5 | 171.7 | -142 | -75.4 | 0 | 0 | 0 | 108.1 | D37 | D37-D39 PolarHBondContact O-N 3.15Š|
| 40 | S | 34.5 | Very low | 37.4 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -176.6 | 126.1 | 153.4 | -87.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 41 | G | 31.8 | Very low | 37.5 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -71 | -168.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 42 | Y | 30.8 | Very low | 37.9 | Very low | 241 Ų | 241 | 119.8 Ų | 119.8 | 95% | 0.945 | 77% | 0.77 | S | S | * | * | | | trans | 75.5 | 92.4 | -165.6 | -49.9 | -74.9 | 0 | 0 | 0 | 111.4 | | |
| 43 | G | 34 | Very low | 37.5 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | | | cis | 67.3 | 117.1 | 31.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 44 | D | 36.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 118.6 Ų | 118.6 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | 92.3 | 129 | 162.9 | -97.5 | -94.5 | 0 | 0 | 0 | 120.5 | | |
| 45 | S | 34.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 115 Ų | 115 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | 81.1 | 106.7 | 174.2 | -44.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 46 | G | 32 | Very low | 37.9 | Very low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | cis | 167.8 | 147.4 | 10.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 47 | Y | 37.5 | Very low | 37.7 | Very low | 253 Ų | 253 | 114.7 Ų | 114.7 | 99% | 0.992 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 55 | 76.6 | 178.4 | -82.7 | -90.6 | 0 | 0 | 0 | 116.4 | | |
| 48 | G | 38.3 | Very low | 37.6 | Very low | 76 Ų | 76 | 110.7 Ų | 110.7 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | 174.6 | 38.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | G50 | G48-G50 PolarHBondContact O-N 3.23Š|
| 49 | G | 34.7 | Very low | 37.1 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | | | trans | -68.5 | 94.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 50 | G | 39.9 | Very low | 37.3 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -106.7 | 88.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G48 | G48-G50 PolarHBondContact O-N 3.23Š|
| 51 | C | 39.6 | Very low | 37.1 | Very low | 77 Ų | 77 | 112.2 Ų | 112.2 | 52% | 0.52 | 78% | 0.777 | S | S | . | * | | | trans | -1.1 | 116.5 | 153.7 | 160 | 0 | 0 | 0 | 0 | 116.6 | C56 | C51-C56 HydrophobicContact CB-CB 4.35Å; C51-C56 WeakPolarHBondContact CB-SG 3.04Å; C51-C56 WeakPolarHBondContact SG-CB 3.29Å; C51-C56 CovalentContact SG-SG 2.05Å; C51-C56 PolarHBondContact SG-SG 3.13Å |
| 52 | T | 45.3 | Very low | 36.9 | Very low | 148 Ų | 148 | 113.2 Ų | 113.2 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | | | trans | -98.9 | 102.6 | 163.4 | 34.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 53 | G | 36.1 | Very low | 36.9 | Very low | 49 Ų | 49 | 105 Ų | 105 | 51% | 0.505 | 78% | 0.776 | S | S | . | * | S | Bend | trans | 163.6 | 149.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D55 C56 | G53-D55 PolarHBondContact O-N 3.41Å; G53-C56 PolarHBondContact O-N 3.07Å |
| 54 | G | 40.1 | Very low | 37.3 | Very low | 86 Ų | 86 | 113.6 Ų | 113.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 9.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 55 | D | 42.9 | Very low | 37.1 | Very low | 159 Ų | 159 | 108.9 Ų | 108.9 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 7.6 | -179.7 | -61.6 | -57 | 0 | 0 | 0 | 113.3 | G53 G57 | G53-D55 PolarHBondContact O-N 3.41Å; D55-G57 VanDerWaalsContact C-N 3.28Å; D55-G57 PolarHBondContact O-N 2.81Å; D55-G57 VanDerWaalsContact O-N 3.16Å |
| 56 | C | 45 | Very low | 37.1 | Very low | 92 Ų | 92 | 107.2 Ų | 107.2 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | | | trans | -91.4 | 61.6 | 176.2 | -78.1 | 0 | 0 | 0 | 0 | 111.3 | C51 G53 | C51-C56 HydrophobicContact CB-CB 4.35Å; C51-C56 WeakPolarHBondContact CB-SG 3.04Å; C51-C56 WeakPolarHBondContact SG-CB 3.29Å; C51-C56 CovalentContact SG-SG 2.05Å; C51-C56 PolarHBondContact SG-SG 3.13Å; G53-C56 PolarHBondContact O-N 3.07Å |
| 57 | G | 35.6 | Very low | 37.2 | Very low | 78 Ų | 78 | 107.7 Ų | 107.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -88 | 121.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | D55 | D55-G57 VanDerWaalsContact C-N 3.28Å; D55-G57 PolarHBondContact O-N 2.81Å; D55-G57 VanDerWaalsContact O-N 3.16Å |
| 58 | G | 34.8 | Very low | 36.8 | Very low | 68 Ų | 68 | 99.7 Ų | 99.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 152.6 | 88.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 59 | G | 36.8 | Very low | 36.9 | Very low | 73 Ų | 73 | 101 Ų | 101 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -60.5 | 150.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G61 | G59-G61 PolarHBondContact O-N 3.32Š|
| 60 | Y | 42 | Very low | 36.9 | Very low | 252 Ų | 252 | 99.9 Ų | 99.9 | 99% | 0.988 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -72.2 | 93.4 | 178.3 | -68.4 | -91.8 | 0 | 0 | 0 | 110.2 | | |
| 61 | G | 30.5 | Very low | 37 | Very low | 67 Ų | 67 | 100.3 Ų | 100.3 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 165.7 | 105.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G59 | G59-G61 PolarHBondContact O-N 3.32Š|
| 62 | G | 27.9 | Very low | 36.9 | Very low | 84 Ų | 84 | 104 Ų | 104 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | 50.2 | 101.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 63 | G | 30.1 | Very low | 36.8 | Very low | 68 Ų | 68 | 100.6 Ų | 100.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | -172.2 | 79.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G65 | G63-G65 PolarHBondContact O-N 2.96Š|
| 64 | Y | 43.2 | Very low | 36.5 | Very low | 246 Ų | 246 | 101.3 Ų | 101.3 | 97% | 0.965 | 76% | 0.759 | S | S | * | * | | | trans | -59.2 | 93.8 | 156.3 | -49.9 | -91.1 | 0 | 0 | 0 | 106.8 | | |
| 65 | G | 32.8 | Very low | 36.6 | Very low | 62 Ų | 62 | 104.3 Ų | 104.3 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | -174.1 | 68.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G63 G67 | G63-G65 PolarHBondContact O-N 2.96Å; G65-G67 PolarHBondContact O-N 2.96Å |
| 66 | G | 34.9 | Very low | 36.4 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | trans | -53.8 | 109.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C68 | G66-C68 PolarHBondContact O-N 2.8Š|
| 67 | G | 32.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 107.8 Ų | 107.8 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | trans | -94.5 | 90.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G65 | G65-G67 PolarHBondContact O-N 2.96Š|
| 68 | C | 30.3 | Very low | 35.8 | Very low | 85 Ų | 85 | 107.4 Ų | 107.4 | 57% | 0.574 | 77% | 0.766 | S | S | * | * | | | trans | -21.5 | 140 | 164.7 | 149.8 | 0 | 0 | 0 | 0 | 116.7 | G66 C73 | G66-C68 PolarHBondContact O-N 2.8Å; C68-C73 VanDerWaalsContact C-SG 3.58Å; C68-C73 HydrophobicContact CB-CB 4.28Å; C68-C73 WeakPolarHBondContact CB-SG 3.36Å; C68-C73 PolarHBondContact O-SG 3.25Å; C68-C73 WeakPolarHBondContact SG-CB 3.19Å; C68-C73 CovalentContact SG-SG 2.09Å; C68-C73 PolarHBondContact SG-SG 3.48Å |
| 69 | S | 39.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 107.5 Ų | 107.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -51.9 | 140.6 | 171 | 156.7 | 0 | 0 | 0 | 0 | 113.4 | C73 | S69-C73 PolarHBondContact O-SG 2.73Š|
| 70 | G | 35 | Very low | 35.7 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | | 40.4 | 112.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | D72 | G70-D72 PolarHBondContact O-N 3.4Š|
| 71 | G | 41.3 | Very low | 35.3 | Very low | 77 Ų | 77 | 106.8 Ų | 106.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.5 | -55.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 72 | D | 39.4 | Very low | 35.4 | Very low | 155 Ų | 155 | 106.3 Ų | 106.3 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -135.1 | 31.8 | -160.7 | -62.5 | -57.4 | 0 | 0 | 0 | 115.3 | G70 G74 | G70-D72 PolarHBondContact O-N 3.4Å; D72-G74 VanDerWaalsContact C-N 3.31Å; D72-G74 PolarHBondContact O-N 2.91Å; D72-G74 VanDerWaalsContact O-N 3.07Å |
| 73 | C | 41.7 | Very low | 35.7 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 52% | 0.52 | 76% | 0.762 | S | S | . | * | | | trans | -84.2 | 81.7 | 169.2 | -30.8 | 0 | 0 | 0 | 0 | 108.7 | C68 S69 | C68-C73 VanDerWaalsContact C-SG 3.58Å; C68-C73 HydrophobicContact CB-CB 4.28Å; C68-C73 WeakPolarHBondContact CB-SG 3.36Å; C68-C73 PolarHBondContact O-SG 3.25Å; C68-C73 WeakPolarHBondContact SG-CB 3.19Å; C68-C73 CovalentContact SG-SG 2.09Å; C68-C73 PolarHBondContact SG-SG 3.48Å; S69-C73 PolarHBondContact O-SG 2.73Å |
| 74 | G | 30.5 | Very low | 35.9 | Very low | 63 Ų | 63 | 111.5 Ų | 111.5 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | -66 | 131.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D72 | D72-G74 VanDerWaalsContact C-N 3.31Å; D72-G74 PolarHBondContact O-N 2.91Å; D72-G74 VanDerWaalsContact O-N 3.07Å |
| 75 | N | 41.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 107.7 Ų | 107.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | trans | 44.5 | 84.3 | 133.7 | -146.4 | 14.6 | 0 | 0 | 0 | 118.6 | | |
| 76 | Y | 38.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 108 Ų | 108 | 95% | 0.953 | 76% | 0.757 | S | S | * | * | | | trans | -147.2 | 86.1 | 142.4 | -83.6 | -76.2 | 0 | 0 | 0 | 110.8 | | |
| 77 | G | 35.2 | Very low | 35.3 | Very low | 80 Ų | 80 | 106.8 Ų | 106.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 89.7 | 114.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 78 | G | 32.7 | Very low | 35.6 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | cis | -166.9 | 135.8 | 1.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 79 | G | 33.1 | Very low | 36.1 | Very low | 70 Ų | 70 | 111.2 Ų | 111.2 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | 178.3 | 69.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G81 | G79-G81 PolarHBondContact O-N 3.12Š|
| 80 | Y | 37.1 | Very low | 35.9 | Very low | 237 Ų | 237 | 109 Ų | 109 | 93% | 0.929 | 74% | 0.742 | S | S | * | * | | | trans | -61.7 | 117.3 | 169.2 | -41 | -88.4 | 0 | 0 | 0 | 107.7 | | |
| 81 | G | 33.5 | Very low | 36 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | 150 | 64.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | G79 | G79-G81 PolarHBondContact O-N 3.12Š|
| 82 | G | 31.9 | Very low | 35.8 | Very low | 58 Ų | 58 | 120.4 Ų | 120.4 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | | | | 83.8 | 108.3 | 70 | 0 | 0 | 0 | 0 | 0 | 106.6 | C84 | G82-C84 PolarHBondContact O-N 3.31Š|
| 83 | D | 34.8 | Very low | 35.4 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | | | trans | -53.5 | 93.9 | -179.3 | -59.5 | -74.3 | 0 | 0 | 0 | 111.4 | N85 | D83-N85 PolarHBondContact O-N 3.3Š|
| 84 | C | 35.2 | Very low | 34.7 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | | | trans | -101.4 | 79.3 | 177.5 | -73.8 | 0 | 0 | 0 | 0 | 110.2 | G82 G86 C89 | G82-C84 PolarHBondContact O-N 3.31Å; C84-G86 PolarHBondContact O-N 3.47Å; C84-C89 WeakPolarHBondContact CB-SG 3.07Å; C84-C89 PolarHBondContact SG-SG 3.32Å |
| 85 | N | 37.1 | Very low | 34.5 | Very low | 167 Ų | 167 | 116.4 Ų | 116.4 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -72.8 | 94.6 | 166.5 | -155.1 | -13.1 | 0 | 0 | 0 | 108.3 | D83 | D83-N85 PolarHBondContact O-N 3.3Š|
| 86 | G | 30 | Very low | 33.9 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 87.6 | 117.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C84 | C84-G86 PolarHBondContact O-N 3.47Š|
| 87 | G | 29.4 | Very low | 33.4 | Very low | 61 Ų | 61 | 112 Ų | 112 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 83.2 | 114.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 88 | D | 39.9 | Very low | 32.9 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | | | trans | 50.8 | 85.2 | 150.3 | -56.5 | -41.5 | 0 | 0 | 0 | 117.7 | | |
| 89 | C | 41 | Very low | 32.7 | Very low | 92 Ų | 92 | 112.5 Ų | 112.5 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | trans | -109.2 | 84.7 | 153.8 | -65.7 | 0 | 0 | 0 | 0 | 108.5 | C84 N91 | C84-C89 WeakPolarHBondContact CB-SG 3.07Å; C84-C89 PolarHBondContact SG-SG 3.32Å; C89-N91 PolarHBondContact O-N 2.9Å; C89-N91 VanDerWaalsContact O-N 3.12Å |
| 90 | G | 34 | Very low | 32.7 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | | | trans | -58.3 | 111.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y92 | G90-Y92 WeakPolarHBondContact O-CD2 3.21Å; G90-Y92 PolarHBondContact O-N 2.77Å |
| 91 | N | 38 | Very low | 32.3 | Very low | 148 Ų | 148 | 109.9 Ų | 109.9 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 33.5 | 87.1 | 135.5 | -156.9 | 14.7 | 0 | 0 | 0 | 116.7 | C89 | C89-N91 PolarHBondContact O-N 2.9Å; C89-N91 VanDerWaalsContact O-N 3.12Å |
| 92 | Y | 36.9 | Very low | 32.1 | Very low | 235 Ų | 235 | 110 Ų | 110 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | | | trans | -146.7 | 110.2 | 154.9 | -67.5 | -75.3 | 0 | 0 | 0 | 110.9 | G90 | G90-Y92 WeakPolarHBondContact O-CD2 3.21Å; G90-Y92 PolarHBondContact O-N 2.77Å |
| 93 | G | 30.2 | Very low | 32.2 | Very low | 78 Ų | 78 | 111 Ų | 111 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 126.9 | 109.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 94 | G | 28 | Very low | 32 | Very low | 57 Ų | 57 | 107.3 Ų | 107.3 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | cis | -164.5 | 127.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 95 | G | 26.3 | Very low | 32.2 | Very low | 77 Ų | 77 | 108.8 Ų | 108.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -140.1 | 89.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 96 | Y | 29.5 | Very low | 32.1 | Very low | 225 Ų | 225 | 104.2 Ų | 104.2 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -67.9 | 122.7 | 173.4 | -33.9 | -90.3 | 0 | 0 | 0 | 107.5 | | |
| 97 | G | 28 | Very low | 32.4 | Very low | 74 Ų | 74 | 104.1 Ų | 104.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | 167 | 96.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 98 | G | 25.2 | Very low | 32.5 | Very low | 88 Ų | 88 | 108.9 Ų | 108.9 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | -61 | 154.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 99 | G | 26.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 106 Ų | 106 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | 139.7 | 94.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G101 | G99-G101 PolarHBondContact O-N 2.74Š|
| 100 | N | 33.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 105 Ų | 105 | 95% | 0.952 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -40.8 | 117.1 | -174 | -70.8 | -13.1 | 0 | 0 | 0 | 115.4 | | |
| 101 | G | 28.3 | Very low | 31.9 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 171.2 | 80.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G99 | G99-G101 PolarHBondContact O-N 2.74Š|
| 102 | G | 31 | Very low | 31.7 | Very low | 74 Ų | 74 | 101.9 Ų | 101.9 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -52.2 | 153.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C104 | G102-C104 PolarHBondContact O-N 3.02Š|
| 103 | G | 32.2 | Very low | 31.4 | Very low | 80 Ų | 80 | 98.9 Ų | 98.9 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -54.3 | 131.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 104 | C | 31.7 | Very low | 31.7 | Very low | 93 Ų | 93 | 102.5 Ų | 102.5 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | | | trans | -91.5 | 96.9 | 158 | -66.5 | 0 | 0 | 0 | 0 | 107.6 | G102 G106 C109 | G102-C104 PolarHBondContact O-N 3.02Å; C104-G106 PolarHBondContact O-N 3.11Å; C104-C109 WeakPolarHBondContact CB-SG 3.17Å |
| 105 | S | 38.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 108.5 Ų | 108.5 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | -72.7 | 110.5 | 166.4 | 62.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 106 | G | 36.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 108.5 Ų | 108.5 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 86.2 | 110.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C104 | C104-G106 PolarHBondContact O-N 3.11Š|
| 107 | G | 35.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 106.6 Ų | 106.6 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 77.7 | 107.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 108 | N | 33.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 108.9 Ų | 108.9 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | 72.9 | 66.8 | 154.5 | -52.4 | 7.6 | 0 | 0 | 0 | 116.2 | G110 | N108-G110 VanDerWaalsContact C-N 3.28Å; N108-G110 PolarHBondContact O-N 3.02Å; N108-G110 VanDerWaalsContact O-N 3.13Å |
| 109 | C | 40.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 108.3 Ų | 108.3 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | | | trans | -77.9 | 86.1 | 150.9 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | C104 | C104-C109 WeakPolarHBondContact CB-SG 3.17Š|
| 110 | G | 30.6 | Very low | 34.1 | Very low | 71 Ų | 71 | 110.1 Ų | 110.1 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | -76.5 | 140.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | N108 | N108-G110 VanDerWaalsContact C-N 3.28Å; N108-G110 PolarHBondContact O-N 3.02Å; N108-G110 VanDerWaalsContact O-N 3.13Å |
| 111 | G | 30.1 | Very low | 34.1 | Very low | 63 Ų | 63 | 112.4 Ų | 112.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | trans | 90.1 | 82.8 | 165 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 112 | G | 34 | Very low | 34.2 | Very low | 76 Ų | 76 | 112.1 Ų | 112.1 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | -130.6 | 70.7 | 157 | 0 | 0 | 0 | 0 | 0 | 107.3 | D114 | G112-D114 VanDerWaalsContact C-N 3.32Å; G112-D114 PolarHBondContact O-N 3.2Å |
| 113 | F | 30.8 | Very low | 34.1 | Very low | 172 Ų | 172 | 112 Ų | 112 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | -66.4 | 99 | 165.4 | -51.7 | -90.3 | 0 | 0 | 0 | 105.5 | E115 | F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.04Å; F113-E115 VanDerWaalsContact O-N 3.11Å |
| 114 | D | 37 | Very low | 34.4 | Very low | 154 Ų | 154 | 114 Ų | 114 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | trans | -73.4 | 98.2 | 157.8 | -84 | -43.7 | 0 | 0 | 0 | 106.1 | G112 A116 | G112-D114 VanDerWaalsContact C-N 3.32Å; G112-D114 PolarHBondContact O-N 3.2Å; D114-A116 PolarHBondContact O-N 2.92Å |
| 115 | E | 38.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 18.6 | -178 | -139.2 | 88.5 | -155.3 | 0 | 0 | 115.3 | F113 | F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.04Å; F113-E115 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 39.4 | Very low | 34.4 | Very low | 77 Ų | 77 | 117.2 Ų | 117.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -18 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D114 | D114-A116 PolarHBondContact O-N 2.92Š|
| 117 | F | 29.7 | Very low | 34.2 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -146.3 | 120.9 | 176.3 | -83.5 | -87 | 0 | 0 | 0 | 111.6 | A119 | F117-A119 PolarHBondContact O-N 3.33Å; F117-A119 VanDerWaalsContact O-N 3.08Å |
| 118 | P | 34 | Very low | 34.3 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -60.4 | 113.4 | 159.6 | -12 | 25.7 | 0 | 0 | 0 | 107.1 | P120 | P118-P120 WeakPolarHBondContact O-CD 3.35Å; P118-P120 VanDerWaalsContact O-N 3.11Å |
| 119 | A | 36.8 | Very low | 34.4 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | 114.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | F117 Y121 | F117-A119 PolarHBondContact O-N 3.33Å; F117-A119 VanDerWaalsContact O-N 3.08Å; A119-Y121 PolarHBondContact O-N 3.04Å |
| 120 | P | 34.9 | Very low | 34.1 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -69.1 | 126 | 168.7 | 30 | -28.5 | 0 | 0 | 0 | 105.9 | P118 | P118-P120 WeakPolarHBondContact O-CD 3.35Å; P118-P120 VanDerWaalsContact O-N 3.11Å |
| 121 | Y | 32.2 | Very low | 34.5 | Very low | 227 Ų | 227 | 119.9 Ų | 119.9 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 82.9 | 93.2 | -175 | -63.9 | -92.1 | 0 | 0 | 0 | 116 | A119 G123 | A119-Y121 PolarHBondContact O-N 3.04Å; Y121-G123 PolarHBondContact O-N 3.44Å |
| 122 | G | 31.1 | Very low | 34.8 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 64.2 | 54.9 | 132 | 0 | 0 | 0 | 0 | 0 | 116.1 | D124 | G122-D124 PolarHBondContact O-N 3Š|
| 123 | G | 28.7 | Very low | 35.1 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -71 | 57.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y121 Y125 | Y121-G123 PolarHBondContact O-N 3.44Å; G123-Y125 PolarHBondContact O-N 3.12Å |
| 124 | D | 37.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | | | trans | -96.2 | 96.8 | 174.6 | -82.1 | -20.5 | 0 | 0 | 0 | 109.6 | G122 | G122-D124 PolarHBondContact O-N 3Š|
| 125 | Y | 34.9 | Very low | 35.3 | Very low | 202 Ų | 202 | 124.1 Ų | 124.1 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | 63.3 | 106.4 | 147.3 | -50.3 | -75.3 | 0 | 0 | 0 | 118.3 | G123 N127 | G123-Y125 PolarHBondContact O-N 3.12Å; Y125-N127 PolarHBondContact O-N 3.02Å |
| 126 | G | 35.1 | Very low | 34.9 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | -52.6 | 121.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G128 | G126-G128 PolarHBondContact O-N 3.27Å; G126-G128 VanDerWaalsContact O-N 3.15Å |
| 127 | N | 32.4 | Very low | 34.7 | Very low | 166 Ų | 166 | 120.5 Ų | 120.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | -74.3 | 90.9 | 142.6 | -83.4 | -26.3 | 0 | 0 | 0 | 106.4 | Y125 G129 | Y125-N127 PolarHBondContact O-N 3.02Å; N127-G129 PolarHBondContact O-N 3.16Å |
| 128 | G | 38.4 | Very low | 34.8 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | -48.1 | 111.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | G126 | G126-G128 PolarHBondContact O-N 3.27Å; G126-G128 VanDerWaalsContact O-N 3.15Å |
| 129 | G | 35.1 | Very low | 34.7 | Very low | 66 Ų | 66 | 118.5 Ų | 118.5 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | trans | -52.8 | 143 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N127 G131 | N127-G129 PolarHBondContact O-N 3.16Å; G129-G131 VanDerWaalsContact C-N 3.34Å; G129-G131 PolarHBondContact O-N 2.85Å |
| 130 | N | 34.6 | Very low | 34.3 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -39.4 | 98.7 | 175.7 | -64.5 | -4 | 0 | 0 | 0 | 109.6 | F132 | N130-F132 PolarHBondContact O-N 3.39Š|
| 131 | G | 38.7 | Very low | 34.1 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | trans | -59.4 | 110.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | G129 G133 | G129-G131 VanDerWaalsContact C-N 3.34Å; G129-G131 PolarHBondContact O-N 2.85Å; G131-G133 PolarHBondContact O-N 2.05Å |
| 132 | F | 36.2 | Very low | 33.9 | Very low | 202 Ų | 202 | 121.5 Ų | 121.5 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | | | trans | -63.1 | 78.2 | 150.6 | -70.8 | -86.8 | 0 | 0 | 0 | 105.5 | N130 K134 | N130-F132 PolarHBondContact O-N 3.39Å; F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 3.29Å |
| 133 | G | 39.5 | Very low | 34.1 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | -57.4 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 104.8 | G131 G135 | G131-G133 PolarHBondContact O-N 2.05Å; G133-G135 PolarHBondContact O-N 3.13Å |
| 134 | K | 36.5 | Very low | 34.5 | Very low | 206 Ų | 206 | 127.7 Ų | 127.7 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 97.3 | 163.1 | -77.2 | -175.7 | 176.6 | 178.2 | 0 | 105 | F132 G136 | F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 3.29Å; K134-G136 PolarHBondContact O-N 2.84Å |
| 135 | G | 35.8 | Very low | 34.5 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -57.2 | 106.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | G133 | G133-G135 PolarHBondContact O-N 3.13Š|
| 136 | G | 31.6 | Very low | 34.5 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | trans | 34.2 | 116.6 | 141 | 0 | 0 | 0 | 0 | 0 | 117.8 | K134 K138 | K134-G136 PolarHBondContact O-N 2.84Å; G136-K138 PolarHBondContact O-N 3.23Å |
| 137 | S | 34.7 | Very low | 34.3 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | -29.4 | 105.7 | 152.2 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | G139 | S137-G139 VanDerWaalsContact C-N 3.28Å; S137-G139 PolarHBondContact O-N 2.81Å |
| 138 | K | 31.6 | Very low | 34.2 | Very low | 211 Ų | 211 | 122 Ų | 122 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -80 | 90.3 | 152.5 | -86.8 | -173.3 | 178 | 178.5 | 0 | 106.8 | G136 | G136-K138 PolarHBondContact O-N 3.23Š|
| 139 | G | 31.2 | Very low | 33.9 | Very low | 54 Ų | 54 | 122 Ų | 122 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | | | trans | -63.1 | 155.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S137 | S137-G139 VanDerWaalsContact C-N 3.28Å; S137-G139 PolarHBondContact O-N 2.81Å |
| 140 | N | 28.6 | Very low | 33.9 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | 71.2 | 110.8 | 136.9 | -58.6 | 19.1 | 0 | 0 | 0 | 118.8 | | |
| 141 | N | 30.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | | 112 | 129.8 | 116 | -82 | -6.1 | 0 | 0 | 0 | 119.2 | | |
| 142 | Y | 28.8 | Very low | 34.1 | Very low | 217 Ų | 217 | 127.8 Ų | 127.8 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | 78.4 | 86.6 | 161.6 | -50.6 | -63.7 | 0 | 0 | 0 | 118.2 | | |
| 143 | G | 34.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -151.4 | 103.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G145 | G143-G145 PolarHBondContact O-N 3.18Š|
| 144 | K | 37.6 | Very low | 34.1 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -62.9 | 85.8 | 166.3 | -79.4 | -178.6 | 173.6 | 179.3 | 0 | 108.2 | | |
| 145 | G | 38.3 | Very low | 34.3 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -97.2 | 98.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G143 G147 | G143-G145 PolarHBondContact O-N 3.18Å; G145-G147 PolarHBondContact O-N 3.13Å; G145-G147 VanDerWaalsContact O-N 3.11Å |
| 146 | Y | 34 | Very low | 34.3 | Very low | 216 Ų | 216 | 122.6 Ų | 122.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -60.9 | 113.4 | 161.5 | -68.1 | -90 | 0 | 0 | 0 | 107.1 | G148 | Y146-G148 PolarHBondContact O-N 2.87Š|
| 147 | G | 32 | Very low | 34.3 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -62 | 124.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | G145 | G145-G147 PolarHBondContact O-N 3.13Å; G145-G147 VanDerWaalsContact O-N 3.11Å |
| 148 | G | 30.7 | Very low | 34.5 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | -162.5 | 111.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y146 | Y146-G148 PolarHBondContact O-N 2.87Š|
| 149 | G | 31.5 | Very low | 35 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 95.4 | 89.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 150 | S | 34.9 | Very low | 35.2 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 92% | 0.923 | 82% | 0.815 | S | S | * | * | | | | 33.9 | 109.3 | 117.9 | -40.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 151 | G | 38.4 | Very low | 35.6 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | 172.1 | 66.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G153 | G151-G153 PolarHBondContact O-N 3.35Š|
| 152 | K | 38.7 | Very low | 36.3 | Very low | 206 Ų | 206 | 124.5 Ų | 124.5 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | | | trans | -8.6 | 103 | 163 | -73.4 | 174 | 175 | 176.2 | 0 | 114.9 | K154 | K152-K154 PolarHBondContact O-N 3.01Å; K152-K154 VanDerWaalsContact O-N 3.13Å |
| 153 | G | 40 | Very low | 36.7 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -58.4 | 113.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G151 G155 | G151-G153 PolarHBondContact O-N 3.35Å; G153-G155 PolarHBondContact O-N 3.11Å; G153-G155 VanDerWaalsContact O-N 3.13Å |
| 154 | K | 36.8 | Very low | 36.9 | Very low | 212 Ų | 212 | 124.4 Ų | 124.4 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | | | trans | -78.2 | 70.4 | 156 | -69.1 | -174.5 | 177.2 | -179.4 | 0 | 108.1 | K152 | K152-K154 PolarHBondContact O-N 3.01Å; K152-K154 VanDerWaalsContact O-N 3.13Å |
| 155 | G | 40.9 | Very low | 37.1 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | | | trans | -72.7 | 123.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | G153 | G153-G155 PolarHBondContact O-N 3.11Å; G153-G155 VanDerWaalsContact O-N 3.13Å |
| 156 | G | 33.9 | Very low | 37 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | | | | 73.2 | 110 | 57.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 157 | G | 32.2 | Very low | 37.3 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | cis | -169.4 | -177.2 | 11.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G159 | G157-G159 PolarHBondContact O-N 3.07Š|
| 158 | K | 38.9 | Very low | 37.7 | Very low | 218 Ų | 218 | 120.2 Ų | 120.2 | 95% | 0.948 | 83% | 0.83 | S | S | * | * | | | trans | -65.4 | 113.7 | 178.8 | -61.6 | 172.6 | 177.6 | 176.7 | 0 | 110.5 | | |
| 159 | G | 43.2 | Very low | 38.1 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -114.2 | 127.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | G157 | G157-G159 PolarHBondContact O-N 3.07Š|
| 160 | G | 34.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | | | cis | 143.4 | 123.8 | 21.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | G162 | G160-G162 PolarHBondContact O-N 3.26Š|
| 161 | K | 37.6 | Very low | 38.9 | Very low | 216 Ų | 216 | 125.4 Ų | 125.4 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | | | trans | -61.1 | 107.3 | -171 | -67.6 | 179.6 | 176.8 | 179.4 | 0 | 110.8 | G163 | K161-G163 PolarHBondContact O-N 3.29Š|
| 162 | G | 45.2 | Very low | 38.9 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | -67.9 | 114.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G160 | G160-G162 PolarHBondContact O-N 3.26Š|
| 163 | G | 37 | Very low | 38.8 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | -68.3 | 163.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K161 G165 | K161-G163 PolarHBondContact O-N 3.29Å; G163-G165 PolarHBondContact O-N 2.09Å |
| 164 | K | 38.7 | Very low | 38.5 | Very low | 215 Ų | 215 | 132.1 Ų | 132.1 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | | | trans | -58.1 | 111.7 | -179.1 | -61.4 | 176.4 | 176.5 | -178.8 | 0 | 111.5 | G166 | K164-G166 PolarHBondContact O-N 3.5Š|
| 165 | G | 42.7 | Very low | 38.3 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | -76.3 | 109.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109 | G163 | G163-G165 PolarHBondContact O-N 2.09Š|
| 166 | G | 35.5 | Very low | 38.1 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 140.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K164 | K164-G166 PolarHBondContact O-N 3.5Š|
| 167 | T | 39.3 | Very low | 38.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 126.9 | 173.5 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | K169 | T167-K169 HydrophobicContact CG2-CG 4.24Š|
| 168 | Y | 41.5 | Very low | 39.2 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -85 | 120.6 | 158.6 | -176.9 | -100.2 | 0 | 0 | 0 | 108.7 | P170 | Y168-P170 HydrophobicContact CD1-CG 4.29Å; Y168-P170 HydrophobicContact CE1-CG 4.15Å |
| 169 | K | 38.6 | Very low | 39.2 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.757 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 119.2 | 169.3 | -71.5 | -170.3 | -179.8 | -176.5 | 0 | 108.6 | T167 S171 | T167-K169 HydrophobicContact CG2-CG 4.24Å; K169-S171 PolarHBondContact O-N 3.28Å |
| 170 | P | 44.6 | Very low | 39 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 121.5 | 160.7 | -15.2 | 29.3 | 0 | 0 | 0 | 109.3 | Y168 | Y168-P170 HydrophobicContact CD1-CG 4.29Å; Y168-P170 HydrophobicContact CE1-CG 4.15Å |
| 171 | S | 38.9 | Very low | 39.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 149 | 174.3 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | K169 Y173 | K169-S171 PolarHBondContact O-N 3.28Å; S171-Y173 PolarHBondContact O-N 3.38Å |
| 172 | H | 37.8 | Very low | 39.3 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -51 | 125.3 | 170.5 | -58.5 | -48.6 | 0 | 0 | 0 | 113.4 | | |
| 173 | Y | 38.1 | Very low | 38.9 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 92% | 0.918 | 83% | 0.831 | S | S | * | * | | | trans | -124.7 | 119.3 | 144.6 | -88.6 | -96.5 | 0 | 0 | 0 | 103.3 | S171 | S171-Y173 PolarHBondContact O-N 3.38Š|
| 174 | G | 33.2 | Very low | 39.1 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | cis | 113.7 | 116.5 | 31.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 175 | G | 31.4 | Very low | 39.1 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 94% | 0.938 | 83% | 0.829 | S | S | * | * | | | trans | 112.2 | 117.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 176 | G | 37.4 | Very low | 38.8 | Very low | 68 Ų | 68 | 145.8 Ų | 145.8 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | | | trans | 158.7 | 78.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 177 | Y | 49.6 | Very low | 39.1 | Very low | 299 Ų | 299 | 152.1 Ų | 152.1 | 100% | 1.173 | 83% | 0.833 | S | S | * | * | | | trans | -44.7 | 0 | 168.6 | 40 | -92 | 0 | 0 | 0 | 113.7 | | |