| 1 | M | 55.1 | Low | 64.4 | Low | 233 Ų | 233 | 133.7 Ų | 133.7 | 100% | 1.148 | 69% | 0.694 | S | S | * | * | | | | 0 | 10 | 0 | -58.1 | -168.9 | -75.1 | 0 | 0 | 114.8 | | |
| 2 | K | 58.3 | Low | 63.8 | Low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.865 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -17.7 | -175.1 | -65 | -178.7 | 179.4 | -178.3 | 0 | 115.5 | S4 | K2-S4 VanDerWaalsContact C-N 3.32Å; K2-S4 PolarHBondContact O-N 3.22Å |
| 3 | Q | 58.4 | Low | 63.8 | Low | 180 Ų | 180 | 125.5 Ų | 125.5 | 84% | 0.841 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -17.5 | -176.4 | -72.7 | -171.6 | -18.8 | 0 | 0 | 114.5 | L5 | Q3-L5 PolarHBondContact O-N 2.85Š|
| 4 | S | 67.6 | Low | 63.3 | Low | 85 Ų | 85 | 119.2 Ų | 119.2 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.8 | -31.2 | -178.5 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | K2 T6 | K2-S4 VanDerWaalsContact C-N 3.32Å; K2-S4 PolarHBondContact O-N 3.22Å; S4-T6 PolarHBondContact O-N 3.15Å |
| 5 | L | 64.6 | Low | 62.7 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.7 | -31.2 | -170.1 | -146 | 133.7 | 0 | 0 | 0 | 112.9 | Q3 F9 | Q3-L5 PolarHBondContact O-N 2.85Å; L5-F9 HydrophobicContact CD2-CD2 4.02Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 PolarHBondContact O-N 3.16Å |
| 6 | T | 66.9 | Low | 62 | Low | 93 Ų | 93 | 117.7 Ų | 117.7 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.3 | -37.3 | 179.6 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | S4 V8 F9 L10 | S4-T6 PolarHBondContact O-N 3.15Å; T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.4Å; T6-F9 PolarHBondContact O-N 3.23Å; T6-L10 PolarHBondContact O-N 3.14Å |
| 7 | L | 66.1 | Low | 61.2 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.1 | -39.9 | 178.3 | -164.9 | 85.4 | 0 | 0 | 0 | 111.2 | F9 L10 V11 | L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.9Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.16Å |
| 8 | V | 69.7 | Low | 60.5 | Low | 95 Ų | 95 | 111.9 Ų | 111.9 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63 | -40.2 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | T6 A12 | T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.4Å; V8-A12 PolarHBondContact O-N 3.19Å; V8-A12 VanDerWaalsContact O-N 3.15Å |
| 9 | F | 66.8 | Low | 59.7 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 177.9 | -98.4 | -87.8 | 0 | 0 | 0 | 113.1 | L5 T6 L7 A12 I13 | L5-F9 HydrophobicContact CD2-CD2 4.02Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 PolarHBondContact O-N 3.16Å; T6-F9 PolarHBondContact O-N 3.23Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.94Å; F9-A12 PolarHBondContact O-N 3.07Å; F9-I13 WeakPolarHBondContact O-CG1 3.5Å; F9-I13 PolarHBondContact O-N 2.92Å; F9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | L | 66.8 | Low | 59 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.5 | -39 | 179.9 | -71.3 | 171.2 | 0 | 0 | 0 | 112.4 | T6 L7 A12 I13 G14 | T6-L10 PolarHBondContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 2.9Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-I13 PolarHBondContact O-N 2.97Å; L10-G14 PolarHBondContact O-N 2.75Å |
| 11 | V | 67.7 | Low | 58.2 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.9 | -39.7 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L7 G14 Y15 | L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.16Å; V11-G14 PolarHBondContact O-N 3.41Å; V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.13Å |
| 12 | A | 58.3 | Low | 57.3 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 49% | 0.488 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V8 F9 L10 A16 | V8-A12 PolarHBondContact O-N 3.19Å; V8-A12 VanDerWaalsContact O-N 3.15Å; F9-A12 PolarHBondContact O-N 3.07Å; L10-A12 VanDerWaalsContact C-N 3.34Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.27Å |
| 13 | I | 63.6 | Low | 56.3 | Low | 102 Ų | 102 | 101.3 Ų | 101.3 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -45.1 | 177 | -63.5 | 167.8 | 0 | 0 | 0 | 110.2 | F9 L10 Y15 A16 T17 | F9-I13 WeakPolarHBondContact O-CG1 3.5Å; F9-I13 PolarHBondContact O-N 2.92Å; F9-I13 VanDerWaalsContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 2.97Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.91Å; I13-A16 PolarHBondContact O-N 3.36Å; I13-T17 HydrophobicContact CG2-CG2 4.43Å; I13-T17 WeakPolarHBondContact O-CG2 3.35Å; I13-T17 PolarHBondContact O-N 3.11Å; I13-T17 PolarHBondContact O-OG1 3.13Å; I13-T17 VanDerWaalsContact O-OG1 3.07Å |
| 14 | G | 55.8 | Low | 55.4 | Low | 37 Ų | 37 | 100.5 Ų | 100.5 | 38% | 0.381 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.6 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L10 V11 T17 A18 | L10-G14 PolarHBondContact O-N 2.75Å; V11-G14 PolarHBondContact O-N 3.41Å; G14-T17 WeakPolarHBondContact CA-OG1 3.43Å; G14-T17 PolarHBondContact O-N 2.93Å; G14-T17 PolarHBondContact O-OG1 3.24Å; G14-A18 PolarHBondContact O-N 3.32Å; G14-A18 VanDerWaalsContact O-N 3.08Å |
| 15 | Y | 54.4 | Low | 53.8 | Low | 156 Ų | 156 | 105.8 Ų | 105.8 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.7 | -42.8 | 176.8 | -163 | -101.1 | 0 | 0 | 0 | 111.6 | V11 I13 T17 A18 H19 | V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.13Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.91Å; Y15-T17 VanDerWaalsContact C-N 3.34Å; Y15-T17 PolarHBondContact O-N 2.98Å; Y15-A18 PolarHBondContact O-N 3.47Å; Y15-H19 AromaticContact CD1-CD2 3.66Å; Y15-H19 AromaticContact CD1-NE2 3.9Å; Y15-H19 AromaticContact CE1-CD2 3.42Å; Y15-H19 VanDerWaalsContact CE1-CD2 3.42Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.39Å; Y15-H19 AromaticContact CE1-NE2 3.2Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.55Å; Y15-H19 AromaticContact CZ-CD2 3.65Å; Y15-H19 AromaticContact CZ-NE2 2.99Å; Y15-H19 PolarHBondContact O-CD2 3.5Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 3.29Å; Y15-H19 PolarHBondContact OH-NE2 2.94Å |
| 16 | A | 51.4 | Low | 52.6 | Low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A12 I13 A18 H19 T20 | A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.27Å; I13-A16 PolarHBondContact O-N 3.36Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.45Å; A16-H19 PolarHBondContact O-N 3.39Å; A16-T20 PolarHBondContact O-N 3.31Å; A16-T20 PolarHBondContact O-OG1 3.19Å |
| 17 | T | 49.6 | Very low | 50.9 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.8 | -25.5 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | I13 G14 Y15 T20 T21 | I13-T17 HydrophobicContact CG2-CG2 4.43Å; I13-T17 WeakPolarHBondContact O-CG2 3.35Å; I13-T17 PolarHBondContact O-N 3.11Å; I13-T17 PolarHBondContact O-OG1 3.13Å; I13-T17 VanDerWaalsContact O-OG1 3.07Å; G14-T17 WeakPolarHBondContact CA-OG1 3.43Å; G14-T17 PolarHBondContact O-N 2.93Å; G14-T17 PolarHBondContact O-OG1 3.24Å; Y15-T17 VanDerWaalsContact C-N 3.34Å; Y15-T17 PolarHBondContact O-N 2.98Å; T17-T20 PolarHBondContact O-OG1 2.97Å; T17-T21 PolarHBondContact O-OG1 3.22Å |
| 18 | A | 48.5 | Very low | 49.2 | Very low | 54 Ų | 54 | 102.3 Ų | 102.3 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.5 | -33.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | G14 Y15 A16 T21 | G14-A18 PolarHBondContact O-N 3.32Å; G14-A18 VanDerWaalsContact O-N 3.08Å; Y15-A18 PolarHBondContact O-N 3.47Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.45Å; A18-T21 PolarHBondContact O-OG1 3.17Å |
| 19 | H | 44.6 | Very low | 47.7 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 45% | 0.454 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.7 | -24.3 | -179.8 | -84.3 | -89.3 | 0 | 0 | 0 | 113.8 | Y15 A16 | Y15-H19 AromaticContact CD1-CD2 3.66Å; Y15-H19 AromaticContact CD1-NE2 3.9Å; Y15-H19 AromaticContact CE1-CD2 3.42Å; Y15-H19 VanDerWaalsContact CE1-CD2 3.42Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.39Å; Y15-H19 AromaticContact CE1-NE2 3.2Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.55Å; Y15-H19 AromaticContact CZ-CD2 3.65Å; Y15-H19 AromaticContact CZ-NE2 2.99Å; Y15-H19 PolarHBondContact O-CD2 3.5Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 3.29Å; Y15-H19 PolarHBondContact OH-NE2 2.94Å; A16-H19 PolarHBondContact O-N 3.39Å |
| 20 | T | 45.7 | Very low | 46.4 | Very low | 110 Ų | 110 | 106.6 Ų | 106.6 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84.6 | -15.6 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | A16 T17 | A16-T20 PolarHBondContact O-N 3.31Å; A16-T20 PolarHBondContact O-OG1 3.19Å; T17-T20 PolarHBondContact O-OG1 2.97Å |
| 21 | T | 41.7 | Very low | 45 | Very low | 116 Ų | 116 | 104.5 Ų | 104.5 | 71% | 0.712 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -98.9 | 6.1 | 178.8 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | T17 A18 | T17-T21 PolarHBondContact O-OG1 3.22Å; A18-T21 PolarHBondContact O-OG1 3.17Å |
| 22 | S | 37.8 | Very low | 43.7 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 38% | 0.378 | 64% | 0.637 | S | S | . | * | | | trans | -112.9 | 53.7 | 173.1 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 23 | H | 36.5 | Very low | 42.8 | Very low | 167 Ų | 167 | 104.5 Ų | 104.5 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | | | trans | -112.9 | 19.2 | 167.4 | -97.8 | -76.1 | 0 | 0 | 0 | 113.8 | | |
| 24 | D | 38.8 | Very low | 41.6 | Very low | 163 Ų | 163 | 111 Ų | 111 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | | | trans | -107.8 | 35.8 | 157.1 | -68.6 | -46.1 | 0 | 0 | 0 | 110.6 | S26 | D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 PolarHBondContact O-N 3.39Å; D24-S26 VanDerWaalsContact O-N 3.1Å |
| 25 | Y | 34.3 | Very low | 40.6 | Very low | 196 Ų | 196 | 111.7 Ų | 111.7 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | | | trans | -75.9 | 90.4 | 157.9 | -105.5 | -88.1 | 0 | 0 | 0 | 108 | G27 | Y25-G27 PolarHBondContact O-N 3.09Š|
| 26 | S | 40.6 | Very low | 40.1 | Very low | 121 Ų | 121 | 110 Ų | 110 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | S | Bend | | 25.9 | 68.8 | 125.3 | 167.5 | 0 | 0 | 0 | 0 | 114.4 | D24 | D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 PolarHBondContact O-N 3.39Å; D24-S26 VanDerWaalsContact O-N 3.1Å |
| 27 | G | 29.8 | Very low | 39.4 | Very low | 71 Ų | 71 | 114 Ų | 114 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | | | trans | -173.4 | 75.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y25 | Y25-G27 PolarHBondContact O-N 3.09Š|
| 28 | G | 31.3 | Very low | 39.3 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | | | trans | 91.2 | 131.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 29 | Y | 38.4 | Very low | 39.2 | Very low | 241 Ų | 241 | 118.9 Ų | 118.9 | 95% | 0.945 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -151.1 | 120.8 | 31.1 | -78 | -101.4 | 0 | 0 | 0 | 108.1 | | |
| 30 | G | 39.4 | Very low | 38.9 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | 163 | 70.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | G32 | G30-G32 PolarHBondContact O-N 3.14Š|
| 31 | G | 37.3 | Very low | 38.5 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | | | trans | -52.1 | 103.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | C33 | G31-C33 PolarHBondContact O-N 3.04Š|
| 32 | G | 40.5 | Very low | 38.3 | Very low | 56 Ų | 56 | 124 Ų | 124 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | | | trans | -66.9 | 103.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | G30 Y34 | G30-G32 PolarHBondContact O-N 3.14Å; G32-Y34 WeakPolarHBondContact O-CD2 3.48Å; G32-Y34 PolarHBondContact O-N 3.34Å; G32-Y34 VanDerWaalsContact O-N 3.16Å |
| 33 | C | 38.4 | Very low | 38.1 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | trans | -59.6 | 116 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | G31 C38 | G31-C33 PolarHBondContact O-N 3.04Å; C33-C38 WeakPolarHBondContact CB-SG 3.47Å |
| 34 | Y | 39.5 | Very low | 38.2 | Very low | 238 Ų | 238 | 124.5 Ų | 124.5 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | | | trans | -96.8 | 100.2 | 169.6 | -73.8 | -88 | 0 | 0 | 0 | 107.9 | G32 | G32-Y34 WeakPolarHBondContact O-CD2 3.48Å; G32-Y34 PolarHBondContact O-N 3.34Å; G32-Y34 VanDerWaalsContact O-N 3.16Å |
| 35 | G | 34.1 | Very low | 38.1 | Very low | 51 Ų | 51 | 122.8 Ų | 122.8 | 53% | 0.526 | 77% | 0.772 | S | S | . | * | S | Bend | trans | 162.8 | 151.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | D37 | G35-D37 PolarHBondContact O-N 3.25Š|
| 36 | S | 44.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 115.9 Ų | 115.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -64.7 | -6.1 | 179.6 | -43.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | D | 36.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -115 | 44.6 | -169.2 | -49 | -55.7 | 0 | 0 | 0 | 111.3 | G35 D39 | G35-D37 PolarHBondContact O-N 3.25Å; D37-D39 PolarHBondContact O-N 3.24Å |
| 38 | C | 47.4 | Very low | 38.8 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | | | trans | -76.4 | 50 | 163.3 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | C33 | C33-C38 WeakPolarHBondContact CB-SG 3.47Š|
| 39 | D | 45.5 | Very low | 38.9 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -104.4 | 132.6 | 174.1 | -124.1 | -77.1 | 0 | 0 | 0 | 106.6 | D37 | D37-D39 PolarHBondContact O-N 3.24Š|
| 40 | S | 38.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 88.3 | 96.4 | -177.4 | -47.5 | 0 | 0 | 0 | 0 | 115 | | |
| 41 | G | 37.6 | Very low | 38.7 | Very low | 66 Ų | 66 | 115.7 Ų | 115.7 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | trans | -63.7 | 157.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 42 | Y | 36.7 | Very low | 39 | Very low | 250 Ų | 250 | 119.6 Ų | 119.6 | 98% | 0.98 | 77% | 0.766 | S | S | * | * | | | trans | -164.2 | 99.4 | 145.9 | -95.2 | -76.6 | 0 | 0 | 0 | 104.6 | | |
| 43 | G | 33.7 | Very low | 38.6 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -179.9 | 42 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | S45 | G43-S45 PolarHBondContact O-N 3.37Å; G43-S45 VanDerWaalsContact O-N 3.08Å |
| 44 | D | 38.2 | Very low | 38.6 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 96.3 | 168.6 | -148.4 | -69.4 | 0 | 0 | 0 | 109.2 | | |
| 45 | S | 37.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | -160.6 | 59.7 | 165.4 | -79.9 | 0 | 0 | 0 | 0 | 109.8 | G43 | G43-S45 PolarHBondContact O-N 3.37Å; G43-S45 VanDerWaalsContact O-N 3.08Å |
| 46 | G | 38.1 | Very low | 38.9 | Very low | 51 Ų | 51 | 115.8 Ų | 115.8 | 53% | 0.526 | 77% | 0.767 | S | S | . | * | S | Bend | trans | -175.7 | 105.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106 | G48 | G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.11Å |
| 47 | Y | 42 | Very low | 38.4 | Very low | 262 Ų | 262 | 113.6 Ų | 113.6 | 100% | 1.027 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -48.1 | 97.5 | 171.2 | -97.7 | -98 | 0 | 0 | 0 | 108.9 | | |
| 48 | G | 38.8 | Very low | 38.2 | Very low | 70 Ų | 70 | 110 Ų | 110 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | 148.3 | 47.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111 | G46 G50 | G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.11Å; G48-G50 PolarHBondContact O-N 3.39Å |
| 49 | G | 34.3 | Very low | 37.7 | Very low | 72 Ų | 72 | 109.4 Ų | 109.4 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -51.6 | 135.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 50 | G | 33.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 155.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G48 | G48-G50 PolarHBondContact O-N 3.39Š|
| 51 | C | 39.6 | Very low | 37.5 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | | | trans | -146.7 | 110.9 | 154.7 | 67.7 | 0 | 0 | 0 | 0 | 108.1 | C56 | C51-C56 HydrophobicContact CB-CB 4.27Å; C51-C56 WeakPolarHBondContact CB-SG 3.2Å; C51-C56 PolarHBondContact O-SG 3.47Å; C51-C56 WeakPolarHBondContact SG-CB 3.42Å; C51-C56 CovalentContact SG-SG 2.02Å; C51-C56 PolarHBondContact SG-SG 2.98Å |
| 52 | T | 44.4 | Very low | 37.5 | Very low | 155 Ų | 155 | 112.8 Ų | 112.8 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | | | trans | -98.6 | 102.4 | 172.9 | 38 | 0 | 0 | 0 | 0 | 107.5 | | |
| 53 | G | 31.3 | Very low | 37.4 | Very low | 53 Ų | 53 | 104.6 Ų | 104.6 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | S | Bend | trans | 158.7 | 136.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | D55 C56 | G53-D55 PolarHBondContact O-N 3.45Å; G53-C56 PolarHBondContact O-N 3.37Å |
| 54 | G | 38.6 | Very low | 37.5 | Very low | 84 Ų | 84 | 104.9 Ų | 104.9 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 6.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 55 | D | 38 | Very low | 37.9 | Very low | 159 Ų | 159 | 103.6 Ų | 103.6 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 30.8 | -175 | -64.5 | -66.6 | 0 | 0 | 0 | 112.7 | G53 G57 | G53-D55 PolarHBondContact O-N 3.45Å; D55-G57 PolarHBondContact O-N 2.94Å |
| 56 | C | 41.5 | Very low | 37.8 | Very low | 71 Ų | 71 | 100.8 Ų | 100.8 | 48% | 0.48 | 76% | 0.759 | S | S | . | * | | | trans | -73.1 | 60 | 165.9 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | C51 G53 | C51-C56 HydrophobicContact CB-CB 4.27Å; C51-C56 WeakPolarHBondContact CB-SG 3.2Å; C51-C56 PolarHBondContact O-SG 3.47Å; C51-C56 WeakPolarHBondContact SG-CB 3.42Å; C51-C56 CovalentContact SG-SG 2.02Å; C51-C56 PolarHBondContact SG-SG 2.98Å; G53-C56 PolarHBondContact O-N 3.37Å |
| 57 | G | 33.4 | Very low | 37.8 | Very low | 76 Ų | 76 | 101.1 Ų | 101.1 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | -88.8 | 115.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | D55 | D55-G57 PolarHBondContact O-N 2.94Š|
| 58 | G | 33.7 | Very low | 37.8 | Very low | 66 Ų | 66 | 96.7 Ų | 96.7 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | trans | 143.5 | 62.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 59 | G | 35.2 | Very low | 38 | Very low | 79 Ų | 79 | 97.6 Ų | 97.6 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | | | trans | -123.7 | 84.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G61 | G59-G61 PolarHBondContact O-N 3.5Š|
| 60 | Y | 41.3 | Very low | 37.8 | Very low | 235 Ų | 235 | 97.3 Ų | 97.3 | 92% | 0.922 | 75% | 0.747 | S | S | * | * | | | trans | -69 | 118.8 | 174.6 | -72 | -101.3 | 0 | 0 | 0 | 110 | | |
| 61 | G | 38.8 | Very low | 38.5 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | 144.7 | 116.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G59 | G59-G61 PolarHBondContact O-N 3.5Š|
| 62 | G | 37.8 | Very low | 38.5 | Very low | 77 Ų | 77 | 107.3 Ų | 107.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | cis | -169.2 | 93.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | C64 | G62-C64 PolarHBondContact O-N 3.15Š|
| 63 | G | 35.6 | Very low | 38.1 | Very low | 77 Ų | 77 | 103.4 Ų | 103.4 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -83 | 106.4 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | S65 | G63-S65 PolarHBondContact O-N 3.33Š|
| 64 | C | 35.4 | Very low | 38.2 | Very low | 85 Ų | 85 | 104.3 Ų | 104.3 | 57% | 0.574 | 76% | 0.76 | S | S | * | * | | | trans | -69.3 | 81.7 | 165.4 | -68.9 | 0 | 0 | 0 | 0 | 109 | G62 G66 C69 | G62-C64 PolarHBondContact O-N 3.15Å; C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.1Å; C64-G66 VanDerWaalsContact O-N 3.14Å; C64-C69 HydrophobicContact CB-CB 3.89Å; C64-C69 WeakPolarHBondContact CB-SG 2.96Å; C64-C69 WeakPolarHBondContact SG-CB 2.91Å; C64-C69 CovalentContact SG-SG 2.04Å; C64-C69 PolarHBondContact SG-SG 2.79Å |
| 65 | S | 46.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 88% | 0.881 | 74% | 0.744 | S | S | * | * | | | trans | -79 | 83.8 | 166.1 | 169.6 | 0 | 0 | 0 | 0 | 108.4 | G63 | G63-S65 PolarHBondContact O-N 3.33Š|
| 66 | G | 35.4 | Very low | 38.2 | Very low | 68 Ų | 68 | 104.7 Ų | 104.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 114.7 | 117.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C64 | C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.1Å; C64-G66 VanDerWaalsContact O-N 3.14Å |
| 67 | G | 37.5 | Very low | 38.1 | Very low | 57 Ų | 57 | 104.9 Ų | 104.9 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 70.5 | 98.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 68 | D | 42.7 | Very low | 38.2 | Very low | 169 Ų | 169 | 104.2 Ų | 104.2 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | | | trans | 61 | 73.6 | 147.5 | -50.7 | -44.3 | 0 | 0 | 0 | 116.9 | | |
| 69 | C | 42.6 | Very low | 38.7 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | | | trans | -98.2 | 97.4 | 161.7 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | C64 | C64-C69 HydrophobicContact CB-CB 3.89Å; C64-C69 WeakPolarHBondContact CB-SG 2.96Å; C64-C69 WeakPolarHBondContact SG-CB 2.91Å; C64-C69 CovalentContact SG-SG 2.04Å; C64-C69 PolarHBondContact SG-SG 2.79Å |
| 70 | G | 31.4 | Very low | 38.8 | Very low | 66 Ų | 66 | 108.8 Ų | 108.8 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | | | trans | -82.6 | 141.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y72 | G70-Y72 PolarHBondContact O-N 3.02Š|
| 71 | N | 48.1 | Very low | 38.6 | Very low | 149 Ų | 149 | 105.4 Ų | 105.4 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | S | Bend | | 51.3 | 13.8 | 127.1 | -141.9 | 30.8 | 0 | 0 | 0 | 123.6 | | |
| 72 | Y | 39.7 | Very low | 38.3 | Very low | 229 Ų | 229 | 104.7 Ų | 104.7 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -135.9 | 75.8 | 166.1 | -68.6 | -79.4 | 0 | 0 | 0 | 112.2 | G70 | G70-Y72 PolarHBondContact O-N 3.02Š|
| 73 | G | 36.7 | Very low | 38.2 | Very low | 72 Ų | 72 | 104.7 Ų | 104.7 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 155.3 | 87.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G75 | G73-G75 PolarHBondContact O-N 2.94Š|
| 74 | G | 33.5 | Very low | 38.2 | Very low | 73 Ų | 73 | 108.3 Ų | 108.3 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | trans | -46.5 | 133.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 75 | G | 34.5 | Very low | 38.4 | Very low | 50 Ų | 50 | 108.2 Ų | 108.2 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | | | | 62.1 | 112.7 | 76.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | G73 | G73-G75 PolarHBondContact O-N 2.94Š|
| 76 | Y | 40.4 | Very low | 37.7 | Very low | 201 Ų | 201 | 104.9 Ų | 104.9 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | | | cis | -161.9 | 117 | 35.3 | -42.7 | -85.8 | 0 | 0 | 0 | 104.9 | | |
| 77 | G | 40 | Very low | 37.9 | Very low | 75 Ų | 75 | 108.3 Ų | 108.3 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | trans | -167.6 | 37.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D79 | G77-D79 PolarHBondContact O-N 3.07Š|
| 78 | G | 36.1 | Very low | 37.6 | Very low | 62 Ų | 62 | 114.9 Ų | 114.9 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | | | trans | -63 | 127.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | C80 | G78-C80 PolarHBondContact O-N 3.43Å; G78-C80 VanDerWaalsContact O-N 3.12Å |
| 79 | D | 43.4 | Very low | 37 | Very low | 154 Ų | 154 | 110.6 Ų | 110.6 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | | | trans | -42.1 | 114.5 | 179.6 | -58.8 | -74.3 | 0 | 0 | 0 | 111.7 | G77 N81 | G77-D79 PolarHBondContact O-N 3.07Å; D79-N81 PolarHBondContact O-N 3.48Å |
| 80 | C | 38 | Very low | 36.3 | Very low | 87 Ų | 87 | 110.3 Ų | 110.3 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | | | trans | -73.4 | 66.9 | 178 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | G78 G82 C85 | G78-C80 PolarHBondContact O-N 3.43Å; G78-C80 VanDerWaalsContact O-N 3.12Å; C80-G82 PolarHBondContact O-N 2.94Å; C80-C85 VanDerWaalsContact CA-SG 3.52Å; C80-C85 HydrophobicContact CB-CB 3.98Å; C80-C85 WeakPolarHBondContact CB-SG 3.17Å; C80-C85 WeakPolarHBondContact SG-CB 3.17Å; C80-C85 CovalentContact SG-SG 1.99Å; C80-C85 PolarHBondContact SG-SG 3.5Å |
| 81 | N | 37.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 109.7 Ų | 109.7 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | | | trans | -88 | 86.6 | 173.8 | -136.3 | -24.3 | 0 | 0 | 0 | 108.5 | D79 | D79-N81 PolarHBondContact O-N 3.48Š|
| 82 | G | 31.6 | Very low | 35.2 | Very low | 67 Ų | 67 | 114 Ų | 114 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 107.2 | 97.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C80 D84 | C80-G82 PolarHBondContact O-N 2.94Å; G82-D84 PolarHBondContact O-N 3.25Å; G82-D84 VanDerWaalsContact O-N 3.08Å |
| 83 | G | 36.6 | Very low | 34.5 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 91.6 | -60.4 | 146 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 84 | D | 34.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 107.5 Ų | 107.5 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | -137.5 | 76.8 | -158.8 | -68.6 | -55 | 0 | 0 | 0 | 112.6 | G82 G86 | G82-D84 PolarHBondContact O-N 3.25Å; G82-D84 VanDerWaalsContact O-N 3.08Å; D84-G86 PolarHBondContact O-N 3.39Å |
| 85 | C | 39.6 | Very low | 33.7 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 55% | 0.554 | 74% | 0.741 | S | S | * | * | | | trans | -91.1 | 68.5 | 158.2 | -72.3 | 0 | 0 | 0 | 0 | 109.3 | C80 N87 | C80-C85 VanDerWaalsContact CA-SG 3.52Å; C80-C85 HydrophobicContact CB-CB 3.98Å; C80-C85 WeakPolarHBondContact CB-SG 3.17Å; C80-C85 WeakPolarHBondContact SG-CB 3.17Å; C80-C85 CovalentContact SG-SG 1.99Å; C80-C85 PolarHBondContact SG-SG 3.5Å; C85-N87 PolarHBondContact O-N 3.02Å |
| 86 | G | 32.5 | Very low | 33.7 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -65.1 | 113.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | D84 | D84-G86 PolarHBondContact O-N 3.39Š|
| 87 | N | 39.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 107.5 Ų | 107.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 67.8 | 67.5 | 137.2 | -163 | 26.4 | 0 | 0 | 0 | 118.3 | C85 | C85-N87 PolarHBondContact O-N 3.02Š|
| 88 | Y | 31.6 | Very low | 32.8 | Very low | 195 Ų | 195 | 107.4 Ų | 107.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | -151.8 | 101 | 150.5 | -68.4 | -72.3 | 0 | 0 | 0 | 110.9 | | |
| 89 | G | 29.1 | Very low | 32.6 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 169 | 71 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 90 | G | 28.1 | Very low | 32 | Very low | 84 Ų | 84 | 105.5 Ų | 105.5 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | | | trans | 83.3 | 128 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 91 | G | 27 | Very low | 32 | Very low | 52 Ų | 52 | 107 Ų | 107 | 54% | 0.536 | 77% | 0.771 | S | S | . | * | | | cis | 160.7 | 137.2 | 12.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 92 | Y | 29.7 | Very low | 32 | Very low | 240 Ų | 240 | 102.8 Ų | 102.8 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | | | trans | 50 | 87.4 | 153.6 | -28.7 | -77.4 | 0 | 0 | 0 | 116.5 | | |
| 93 | G | 26.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 102.6 Ų | 102.6 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | 179.3 | 88.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 94 | G | 26.7 | Very low | 32 | Very low | 91 Ų | 91 | 107 Ų | 107 | 94% | 0.938 | 77% | 0.769 | S | S | * | * | | | trans | -61.1 | 137.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 95 | G | 26.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 158.5 | 115.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G97 | G95-G97 PolarHBondContact O-N 3.27Š|
| 96 | N | 34 | Very low | 32 | Very low | 184 Ų | 184 | 104 Ų | 104 | 98% | 0.984 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -42 | 120.5 | -176.4 | -72.2 | -14.9 | 0 | 0 | 0 | 113.2 | | |
| 97 | G | 30.2 | Very low | 31.8 | Very low | 70 Ų | 70 | 104.9 Ų | 104.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | 169.9 | 57.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G95 G99 | G95-G97 PolarHBondContact O-N 3.27Å; G97-G99 PolarHBondContact O-N 3.08Å |
| 98 | G | 30.4 | Very low | 31.5 | Very low | 72 Ų | 72 | 101.6 Ų | 101.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -47.5 | 127.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C100 | G98-C100 PolarHBondContact O-N 3.47Å; G98-C100 VanDerWaalsContact O-N 3.14Å |
| 99 | G | 31.4 | Very low | 31.6 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | trans | -57.4 | 115.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G97 S101 | G97-G99 PolarHBondContact O-N 3.08Å; G99-S101 PolarHBondContact O-N 3.14Å |
| 100 | C | 32.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 104 Ų | 104 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | | | trans | -87.9 | 91.4 | 162.3 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | G98 G102 C105 | G98-C100 PolarHBondContact O-N 3.47Å; G98-C100 VanDerWaalsContact O-N 3.14Å; C100-G102 PolarHBondContact O-N 3.25Å; C100-C105 WeakPolarHBondContact CB-SG 2.97Å |
| 101 | S | 38.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 110.8 | 166.5 | 60.7 | 0 | 0 | 0 | 0 | 109.3 | G99 | G99-S101 PolarHBondContact O-N 3.14Š|
| 102 | G | 36.2 | Very low | 33.2 | Very low | 75 Ų | 75 | 110.1 Ų | 110.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 96.8 | 105.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C100 | C100-G102 PolarHBondContact O-N 3.25Š|
| 103 | G | 33.9 | Very low | 33.3 | Very low | 62 Ų | 62 | 107.6 Ų | 107.6 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 94.7 | 107.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C105 | G103-C105 PolarHBondContact O-N 3.22Š|
| 104 | N | 34.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 109.7 Ų | 109.7 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | 35.7 | 74.5 | 151.1 | -60.2 | 17.5 | 0 | 0 | 0 | 116.7 | G106 | N104-G106 PolarHBondContact O-N 2.88Š|
| 105 | C | 40.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -75.2 | 79.5 | 155.1 | -64.4 | 0 | 0 | 0 | 0 | 108.6 | C100 G103 | C100-C105 WeakPolarHBondContact CB-SG 2.97Å; G103-C105 PolarHBondContact O-N 3.22Å |
| 106 | G | 31.8 | Very low | 34.8 | Very low | 69 Ų | 69 | 111.8 Ų | 111.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -80.4 | 133.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N104 | N104-G106 PolarHBondContact O-N 2.88Š|
| 107 | G | 29.6 | Very low | 34.8 | Very low | 75 Ų | 75 | 113.1 Ų | 113.1 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | 83.8 | 107.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 108 | G | 32.4 | Very low | 34.8 | Very low | 70 Ų | 70 | 113 Ų | 113 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -176.4 | 55 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | D110 | G108-D110 PolarHBondContact O-N 3.06Š|
| 109 | F | 34 | Very low | 34.9 | Very low | 180 Ų | 180 | 112.5 Ų | 112.5 | 79% | 0.789 | 75% | 0.754 | S | S | * | * | | | trans | -60.5 | 120.5 | 159.7 | -55.9 | -87.5 | 0 | 0 | 0 | 105.4 | E111 | F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 3.21Å |
| 110 | D | 38.9 | Very low | 35.3 | Very low | 146 Ų | 146 | 115.9 Ų | 115.9 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | -62.4 | 102.1 | 162.6 | -70.9 | -51.7 | 0 | 0 | 0 | 106.1 | G108 A112 F113 | G108-D110 PolarHBondContact O-N 3.06Å; D110-A112 PolarHBondContact O-N 2.81Å; D110-F113 PolarHBondContact O-N 3.27Å |
| 111 | E | 39.5 | Very low | 35.5 | Very low | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 5.2 | -176.2 | -126.2 | 99.8 | -155.5 | 0 | 0 | 114.5 | F109 | F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 3.21Å |
| 112 | A | 39.9 | Very low | 35.5 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -14.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D110 | D110-A112 PolarHBondContact O-N 2.81Š|
| 113 | F | 31.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 122.7 Ų | 122.7 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | -140.2 | 108.5 | 177 | -78.8 | -84.8 | 0 | 0 | 0 | 112.1 | D110 A115 | D110-F113 PolarHBondContact O-N 3.27Å; F113-A115 PolarHBondContact O-N 3.29Å; F113-A115 VanDerWaalsContact O-N 3.16Å |
| 114 | P | 36.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 118.8 | 163.4 | -17.1 | 29.4 | 0 | 0 | 0 | 108.7 | P116 | P114-P116 VanDerWaalsContact O-CD 3.29Å; P114-P116 WeakPolarHBondContact O-CD 3.11Å; P114-P116 VanDerWaalsContact O-N 3.17Å |
| 115 | A | 38.1 | Very low | 35.9 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | -59.2 | 119 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F113 Y117 | F113-A115 PolarHBondContact O-N 3.29Å; F113-A115 VanDerWaalsContact O-N 3.16Å; A115-Y117 PolarHBondContact O-N 3.08Å |
| 116 | P | 37.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -72.7 | -0.7 | -169.9 | 25 | -31.9 | 0 | 0 | 0 | 114.8 | P114 | P114-P116 VanDerWaalsContact O-CD 3.29Å; P114-P116 WeakPolarHBondContact O-CD 3.11Å; P114-P116 VanDerWaalsContact O-N 3.17Å |
| 117 | Y | 32.6 | Very low | 36.1 | Very low | 213 Ų | 213 | 119.9 Ų | 119.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -141.6 | 121.9 | 176.1 | -85.5 | -88 | 0 | 0 | 0 | 110 | A115 G119 | A115-Y117 PolarHBondContact O-N 3.08Å; Y117-G119 PolarHBondContact O-N 3.41Å |
| 118 | G | 31.7 | Very low | 36.5 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | -35.7 | 95.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D120 | G118-D120 PolarHBondContact O-N 3.47Š|
| 119 | G | 32 | Very low | 37 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | -74.6 | 63.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y117 Y121 | Y117-G119 PolarHBondContact O-N 3.41Å; G119-Y121 PolarHBondContact O-N 3.42Å |
| 120 | D | 39.7 | Very low | 37.2 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | -74.3 | 69.1 | 162.9 | -74.1 | -33.6 | 0 | 0 | 0 | 108.9 | G118 | G118-D120 PolarHBondContact O-N 3.47Š|
| 121 | Y | 35.7 | Very low | 37 | Very low | 204 Ų | 204 | 123.2 Ų | 123.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | -136.1 | 42.2 | 171.1 | -57.5 | -71.6 | 0 | 0 | 0 | 111.4 | G119 N123 | G119-Y121 PolarHBondContact O-N 3.42Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.11Å |
| 122 | G | 38.3 | Very low | 36.9 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -78.4 | 55.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111.5 | G124 | G122-G124 PolarHBondContact O-N 3.26Š|
| 123 | N | 35.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 119.7 Ų | 119.7 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -77.9 | 80.4 | 164.1 | -85.3 | -14.5 | 0 | 0 | 0 | 107.5 | Y121 G125 | Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.11Å; N123-G125 PolarHBondContact O-N 2.8Å |
| 124 | G | 39.9 | Very low | 36.9 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -52.1 | 109.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G122 | G122-G124 PolarHBondContact O-N 3.26Š|
| 125 | G | 37.6 | Very low | 37.1 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -57.2 | 143.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N123 G127 | N123-G125 PolarHBondContact O-N 2.8Å; G125-G127 PolarHBondContact O-N 3.12Å |
| 126 | N | 36.6 | Very low | 36.8 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | trans | -54.9 | 107.9 | 172.7 | -65.8 | 4.7 | 0 | 0 | 0 | 108.9 | F128 | N126-F128 WeakPolarHBondContact O-CD2 2.8Å; N126-F128 PolarHBondContact O-N 1.99Å |
| 127 | G | 41.2 | Very low | 36.7 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -61.3 | 104 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G125 G129 | G125-G127 PolarHBondContact O-N 3.12Å; G127-G129 PolarHBondContact O-N 3.12Å |
| 128 | F | 37.4 | Very low | 36.8 | Very low | 186 Ų | 186 | 122.9 Ų | 122.9 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -87.6 | 86.1 | 155.2 | -67.8 | -81.8 | 0 | 0 | 0 | 107 | N126 K130 | N126-F128 WeakPolarHBondContact O-CD2 2.8Å; N126-F128 PolarHBondContact O-N 1.99Å; F128-K130 PolarHBondContact O-N 3.1Å; F128-K130 VanDerWaalsContact O-N 3.17Å |
| 129 | G | 43.2 | Very low | 37.1 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | G127 G131 | G127-G129 PolarHBondContact O-N 3.12Å; G129-G131 PolarHBondContact O-N 3.1Å; G129-G131 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 37.4 | Very low | 37.3 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 116.6 | 173.6 | -74.2 | -174.9 | 176.8 | 178.9 | 0 | 107.8 | F128 G132 | F128-K130 PolarHBondContact O-N 3.1Å; F128-K130 VanDerWaalsContact O-N 3.17Å; K130-G132 PolarHBondContact O-N 2.9Å; K130-G132 VanDerWaalsContact O-N 3.1Å |
| 131 | G | 35.7 | Very low | 37.2 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108 | G129 | G129-G131 PolarHBondContact O-N 3.1Å; G129-G131 VanDerWaalsContact O-N 3.09Å |
| 132 | G | 36.6 | Very low | 37.3 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 142.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K130 K134 | K130-G132 PolarHBondContact O-N 2.9Å; K130-G132 VanDerWaalsContact O-N 3.1Å; G132-K134 PolarHBondContact O-N 3.39Å |
| 133 | S | 39.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.3 | 173.5 | -54.6 | 0 | 0 | 0 | 0 | 110 | G135 | S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.38Å |
| 134 | K | 33.2 | Very low | 37 | Very low | 194 Ų | 194 | 123.8 Ų | 123.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -63.9 | 94.7 | 160.7 | -77.4 | -178.8 | 178.8 | 174.9 | 0 | 107.1 | G132 | G132-K134 PolarHBondContact O-N 3.39Š|
| 135 | G | 38.5 | Very low | 36.7 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | -79.8 | 125.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S133 | S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.38Å |
| 136 | N | 32.9 | Very low | 36.9 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | | | trans | 165.9 | 143 | 161.9 | 34.9 | 22.2 | 0 | 0 | 0 | 109 | | |
| 137 | N | 34.9 | Very low | 37.3 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | cis | -159 | 143.5 | -3.9 | -105 | -13.6 | 0 | 0 | 0 | 105 | G139 | N137-G139 PolarHBondContact O-N 3.46Å; N137-G139 VanDerWaalsContact O-N 3.12Å |
| 138 | Y | 34 | Very low | 37.3 | Very low | 250 Ų | 250 | 130.3 Ų | 130.3 | 98% | 0.98 | 81% | 0.813 | S | S | * | * | | | trans | -51.3 | 118.6 | 162.2 | -70.4 | -92.4 | 0 | 0 | 0 | 109.2 | | |
| 139 | G | 39 | Very low | 37.7 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | 178.2 | 99.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N137 G141 | N137-G139 PolarHBondContact O-N 3.46Å; N137-G139 VanDerWaalsContact O-N 3.12Å; G139-G141 PolarHBondContact O-N 2.88Å; G139-G141 VanDerWaalsContact O-N 3.1Å |
| 140 | K | 36.2 | Very low | 37.5 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -58.5 | 111.4 | 165.5 | -73.8 | -179 | 176.3 | 178.4 | 0 | 108.1 | | |
| 141 | G | 38.4 | Very low | 37.6 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | -149.3 | 102.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G139 G143 | G139-G141 PolarHBondContact O-N 2.88Å; G139-G141 VanDerWaalsContact O-N 3.1Å; G141-G143 PolarHBondContact O-N 3.04Å |
| 142 | Y | 36.1 | Very low | 37.8 | Very low | 218 Ų | 218 | 125.3 Ų | 125.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | -62.7 | 124.5 | 178.4 | -54.9 | -91.5 | 0 | 0 | 0 | 110.1 | | |
| 143 | G | 36.8 | Very low | 37.8 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 51.9 | 96.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | G141 | G141-G143 PolarHBondContact O-N 3.04Š|
| 144 | G | 31.9 | Very low | 37.8 | Very low | 88 Ų | 88 | 130 Ų | 130 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | 149.7 | 98.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 145 | G | 34.5 | Very low | 38.6 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | -165.8 | 86.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G147 | G145-G147 PolarHBondContact O-N 3.07Š|
| 146 | S | 41 | Very low | 38.7 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -63.8 | 76.5 | 170.1 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | K148 | S146-K148 PolarHBondContact O-N 3.16Š|
| 147 | G | 44.7 | Very low | 39.1 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | | | trans | -83.9 | 85.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G145 G149 | G145-G147 PolarHBondContact O-N 3.07Å; G147-G149 PolarHBondContact O-N 3.08Å |
| 148 | K | 41 | Very low | 39.8 | Very low | 205 Ų | 205 | 124.3 Ų | 124.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | | | trans | -63 | 77.4 | 159.6 | -81.1 | 179.8 | 176.2 | 172.3 | 0 | 109.1 | S146 K150 | S146-K148 PolarHBondContact O-N 3.16Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.76Å |
| 149 | G | 45.1 | Very low | 40.2 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -76 | 81.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G147 | G147-G149 PolarHBondContact O-N 3.08Š|
| 150 | K | 40.2 | Very low | 40.2 | Very low | 205 Ų | 205 | 122.8 Ų | 122.8 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | -73.2 | 127.3 | 158.5 | -73.9 | -173.2 | 175.9 | -178 | 0 | 108.1 | K148 | K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.76Å |
| 151 | G | 39.5 | Very low | 40.9 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 141.8 | 114.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 152 | G | 39.2 | Very low | 40.9 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | cis | 138.9 | 144.9 | 24.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | | |
| 153 | G | 36.8 | Very low | 41 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | cis | -144.6 | -176.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | G155 | G153-G155 PolarHBondContact O-N 2.93Š|
| 154 | K | 40.9 | Very low | 41.3 | Very low | 215 Ų | 215 | 117.6 Ų | 117.6 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | | | trans | -66.7 | 103.9 | 177.9 | -64.8 | 178.3 | 178 | 178.5 | 0 | 109.5 | G156 | K154-G156 PolarHBondContact O-N 3.47Š|
| 155 | G | 49 | Very low | 41.7 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -60.7 | 117.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G153 | G153-G155 PolarHBondContact O-N 2.93Š|
| 156 | G | 41.3 | Very low | 42.4 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -67.1 | 163.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115 | K154 G158 | K154-G156 PolarHBondContact O-N 3.47Å; G156-G158 PolarHBondContact O-N 2.96Å; G156-G158 VanDerWaalsContact O-N 3.13Å |
| 157 | K | 40.2 | Very low | 42.5 | Very low | 214 Ų | 214 | 120.8 Ų | 120.8 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -62.4 | 111.6 | 175.5 | -65.3 | -177.1 | 176.6 | -179.6 | 0 | 109.2 | G159 | K157-G159 PolarHBondContact O-N 2.04Š|
| 158 | G | 51.1 | Low | 42.3 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | -53.6 | 124.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G156 | G156-G158 PolarHBondContact O-N 2.96Å; G156-G158 VanDerWaalsContact O-N 3.13Å |
| 159 | G | 40.8 | Very low | 42.3 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -61.2 | 147.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K157 G161 | K157-G159 PolarHBondContact O-N 2.04Å; G159-G161 PolarHBondContact O-N 3.45Å; G159-G161 VanDerWaalsContact O-N 3.13Å |
| 160 | K | 40.6 | Very low | 41.7 | Very low | 214 Ų | 214 | 127.2 Ų | 127.2 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | trans | -63.4 | 112.7 | 174.1 | -66.2 | -176.4 | 176.8 | -177 | 0 | 108.5 | G162 | K160-G162 PolarHBondContact O-N 3.14Š|
| 161 | G | 49.6 | Very low | 41.4 | Very low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -55.1 | 120.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G159 T163 | G159-G161 PolarHBondContact O-N 3.45Å; G159-G161 VanDerWaalsContact O-N 3.13Å; G161-T163 PolarHBondContact O-N 2.84Å |
| 162 | G | 38.6 | Very low | 41.3 | Very low | 76 Ų | 76 | 120.8 Ų | 120.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -64.6 | 127.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | K160 Y164 | K160-G162 PolarHBondContact O-N 3.14Å; G162-Y164 PolarHBondContact O-N 3.44Å; G162-Y164 VanDerWaalsContact O-N 3.14Å |
| 163 | T | 38.8 | Very low | 41.7 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 110.7 | 171.1 | -51.1 | 0 | 0 | 0 | 0 | 108.7 | G161 K165 | G161-T163 PolarHBondContact O-N 2.84Å; T163-K165 PolarHBondContact O-N 2.02Å |
| 164 | Y | 42.9 | Very low | 42 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | | | trans | -64.8 | 116.9 | 166.8 | 179.3 | -105.3 | 0 | 0 | 0 | 108.5 | G162 P166 | G162-Y164 PolarHBondContact O-N 3.44Å; G162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-P166 HydrophobicContact CE1-CB 3.97Å; Y164-P166 WeakPolarHBondContact O-CD 2.94Å |
| 165 | K | 40.1 | Very low | 42.1 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -91.7 | 113.9 | 166.3 | -71.8 | -166.3 | -178.4 | -175.6 | 0 | 107.3 | T163 S167 | T163-K165 PolarHBondContact O-N 2.02Å; K165-S167 PolarHBondContact O-N 3.47Å; K165-S167 VanDerWaalsContact O-N 3.16Å |
| 166 | P | 49.5 | Very low | 41.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 79% | 0.791 | S | S | * | * | | | trans | -61 | 121.2 | 172 | 23.3 | -30.3 | 0 | 0 | 0 | 108.7 | Y164 H168 | Y164-P166 HydrophobicContact CE1-CB 3.97Å; Y164-P166 WeakPolarHBondContact O-CD 2.94Å; P166-H168 PolarHBondContact O-N 3.49Å; P166-H168 VanDerWaalsContact O-N 3.15Å |
| 167 | S | 43.1 | Very low | 41.7 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | | | trans | -60.8 | 116.6 | 170 | -65 | 0 | 0 | 0 | 0 | 108.2 | K165 Y169 | K165-S167 PolarHBondContact O-N 3.47Å; K165-S167 VanDerWaalsContact O-N 3.16Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 2.83Å |
| 168 | H | 40.2 | Very low | 41.8 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -58.6 | 92.5 | 162.1 | -77.8 | -85.2 | 0 | 0 | 0 | 108.3 | P166 G170 | P166-H168 PolarHBondContact O-N 3.49Å; P166-H168 VanDerWaalsContact O-N 3.15Å; H168-G170 VanDerWaalsContact C-N 3.33Å; H168-G170 PolarHBondContact O-N 2.83Å |
| 169 | Y | 40.5 | Very low | 41.2 | Very low | 223 Ų | 223 | 136.4 Ų | 136.4 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | | | trans | -80.5 | 93.1 | 158.9 | -96.2 | -86.8 | 0 | 0 | 0 | 107.1 | S167 | S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 2.83Å |
| 170 | G | 33.1 | Very low | 41.2 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -72.7 | 159.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H168 | H168-G170 VanDerWaalsContact C-N 3.33Å; H168-G170 PolarHBondContact O-N 2.83Å |
| 171 | G | 33.4 | Very low | 41.2 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | 93.1 | 103.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 172 | G | 37.4 | Very low | 40.5 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | trans | -155.4 | 88.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 173 | Y | 49 | Very low | 40.7 | Very low | 304 Ų | 304 | 146.5 Ų | 146.5 | 100% | 1.192 | 79% | 0.792 | S | S | * | * | | | trans | 6.4 | 0 | 167 | 49.4 | -88.7 | 0 | 0 | 0 | 119.2 | | |