| 1 | R | 48.8 | Very low | 52.4 | Low | 291 Ų | 291 | 150.5 Ų | 150.5 | 100% | 1.098 | 75% | 0.745 | S | S | * | * | | | | 0 | 107.9 | 0 | -79.4 | -178.9 | 156 | -162.5 | -6.1 | 107.2 | | |
| 2 | P | 43.3 | Very low | 52.7 | Low | 134 Ų | 134 | 150.5 Ų | 150.5 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | | | trans | -74.7 | 126.6 | 176.5 | 30.1 | -29.4 | 0 | 0 | 0 | 108.8 | | |
| 3 | S | 51.8 | Low | 52.7 | Low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | -74 | 128.6 | 177.8 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | M5 | S3-M5 PolarHBondContact O-N 2.97Š|
| 4 | S | 51.3 | Low | 52.9 | Low | 76 Ų | 76 | 142.4 Ų | 142.4 | 53% | 0.531 | 73% | 0.726 | S | S | . | * | | | trans | -59.2 | 96.4 | 177.4 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | Y6 F7 | S4-Y6 VanDerWaalsContact C-N 3.29Å; S4-F7 WeakPolarHBondContact OG-CD2 3.21Å |
| 5 | M | 57.9 | Low | 52.9 | Low | 143 Ų | 143 | 144.2 Ų | 144.2 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | | | trans | -88.4 | 0.3 | 168.7 | -70.2 | -68.5 | -72.6 | 0 | 0 | 112 | S3 F7 | S3-M5 PolarHBondContact O-N 2.97Å; M5-F7 VanDerWaalsContact C-N 3.34Å; M5-F7 PolarHBondContact O-N 2.99Å |
| 6 | Y | 52.8 | Low | 53 | Low | 217 Ų | 217 | 144.3 Ų | 144.3 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -7.9 | -175.8 | -70.7 | -78.5 | 0 | 0 | 0 | 114.4 | S4 | S4-Y6 VanDerWaalsContact C-N 3.29Š|
| 7 | F | 49.8 | Very low | 52.7 | Low | 165 Ų | 165 | 141.1 Ų | 141.1 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 22.8 | 177.7 | -59.3 | -69.2 | 0 | 0 | 0 | 113.1 | S4 M5 T9 | S4-F7 WeakPolarHBondContact OG-CD2 3.21Å; M5-F7 VanDerWaalsContact C-N 3.34Å; M5-F7 PolarHBondContact O-N 2.99Å; F7-T9 PolarHBondContact O-N 3.49Å |
| 8 | Q | 51.8 | Low | 52.7 | Low | 139 Ų | 139 | 139.5 Ų | 139.5 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -73.1 | 72.6 | 163.9 | -163.2 | 82.4 | 27.3 | 0 | 0 | 107.6 | H10 | Q8-H10 PolarHBondContact O-N 2.79Š|
| 9 | T | 55.9 | Low | 53.1 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | | | trans | -54.8 | 111 | 165.2 | 47.7 | 0 | 0 | 0 | 0 | 106.1 | F7 D11 | F7-T9 PolarHBondContact O-N 3.49Å; T9-D11 PolarHBondContact O-N 2.85Å |
| 10 | H | 59.4 | Low | 53.2 | Low | 164 Ų | 164 | 133.2 Ų | 133.2 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | -62.4 | 93.2 | 164.1 | -68 | -75.2 | 0 | 0 | 0 | 105.8 | Q8 Q12 | Q8-H10 PolarHBondContact O-N 2.79Å; H10-Q12 PolarHBondContact O-N 2.81Å |
| 11 | D | 53.9 | Low | 53.3 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 58% | 0.583 | 71% | 0.71 | S | S | * | * | | | trans | -67.6 | 92 | 172.3 | -163.9 | -0 | 0 | 0 | 0 | 106.3 | T9 I13 G14 | T9-D11 PolarHBondContact O-N 2.85Å; D11-I13 PolarHBondContact O-N 3.31Å; D11-I13 WeakPolarHBondContact OD1-CB 3.35Å; D11-I13 WeakPolarHBondContact OD1-CG1 3.38Å; D11-G14 PolarHBondContact O-N 3.37Å |
| 12 | Q | 55.4 | Low | 53.7 | Low | 151 Ų | 151 | 124.6 Ų | 124.6 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -59.9 | -14 | -178.7 | -65.4 | 178.5 | 12.6 | 0 | 0 | 111.3 | H10 G14 M15 | H10-Q12 PolarHBondContact O-N 2.81Å; Q12-G14 PolarHBondContact O-N 3.37Å; Q12-M15 PolarHBondContact O-N 3.22Å |
| 13 | I | 53.1 | Low | 54.3 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -67.7 | -24 | 174.8 | -53.3 | -177.7 | 0 | 0 | 0 | 111.4 | D11 I16 | D11-I13 PolarHBondContact O-N 3.31Å; D11-I13 WeakPolarHBondContact OD1-CB 3.35Å; D11-I13 WeakPolarHBondContact OD1-CG1 3.38Å; I13-I16 PolarHBondContact O-N 3.26Å |
| 14 | G | 54.8 | Low | 54.6 | Low | 58 Ų | 58 | 122.2 Ų | 122.2 | 60% | 0.598 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -75.9 | -20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D11 Q12 | D11-G14 PolarHBondContact O-N 3.37Å; Q12-G14 PolarHBondContact O-N 3.37Å |
| 15 | M | 53.8 | Low | 55 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 83% | 0.833 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -17.9 | 174.6 | -65.5 | -149.1 | -49.8 | 0 | 0 | 112.7 | Q12 S17 | Q12-M15 PolarHBondContact O-N 3.22Å; M15-S17 PolarHBondContact O-N 3.5Å |
| 16 | I | 53.4 | Low | 55.4 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | | | trans | -91.9 | 52.9 | 167.1 | -43.9 | 174.9 | 0 | 0 | 0 | 108 | I13 A18 | I13-I16 PolarHBondContact O-N 3.26Å; I16-A18 PolarHBondContact O-N 3.4Å |
| 17 | S | 48.7 | Very low | 55.9 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | | | trans | -69.9 | 116.2 | 160.6 | -171.6 | 0 | 0 | 0 | 0 | 106.4 | M15 G19 | M15-S17 PolarHBondContact O-N 3.5Å; S17-G19 PolarHBondContact O-N 3.01Å; S17-G19 PolarHBondContact OG-N 2.98Å |
| 18 | A | 53.3 | Low | 56.9 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 93% | 0.934 | 68% | 0.679 | S | S | * | * | | | trans | -68.5 | 30.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I16 | I16-A18 PolarHBondContact O-N 3.4Š|
| 19 | G | 59.7 | Low | 57.9 | Low | 29 Ų | 29 | 115.2 Ų | 115.2 | 30% | 0.299 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -79.3 | 156.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S17 S21 | S17-G19 PolarHBondContact O-N 3.01Å; S17-G19 PolarHBondContact OG-N 2.98Å; G19-S21 PolarHBondContact O-N 3.05Å |
| 20 | P | 54.6 | Low | 58.7 | Low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 118.6 | -178.4 | -23.6 | 32 | 0 | 0 | 0 | 110.5 | H22 | P20-H22 PolarHBondContact O-N 3.24Š|
| 21 | S | 56 | Low | 59.2 | Low | 74 Ų | 74 | 112 Ų | 112 | 52% | 0.517 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -47.1 | 136.8 | 179 | -55 | 0 | 0 | 0 | 0 | 109.4 | G19 V23 A24 | G19-S21 PolarHBondContact O-N 3.05Å; S21-V23 VanDerWaalsContact CB-CG2 3.5Å; S21-V23 PolarHBondContact O-N 3.04Å; S21-A24 WeakPolarHBondContact O-CB 3.17Å; S21-A24 PolarHBondContact O-N 2.88Å |
| 22 | H | 57.3 | Low | 60 | Low | 170 Ų | 170 | 115.1 Ų | 115.1 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -24.1 | -175.7 | -22.3 | -69.8 | 0 | 0 | 0 | 113 | P20 A25 | P20-H22 PolarHBondContact O-N 3.24Å; H22-A25 PolarHBondContact O-N 3.25Å |
| 23 | V | 56.2 | Low | 60.3 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -27.4 | 172.7 | -73.2 | 0 | 0 | 0 | 0 | 114.6 | S21 | S21-V23 VanDerWaalsContact CB-CG2 3.5Å; S21-V23 PolarHBondContact O-N 3.04Å |
| 24 | A | 57.7 | Low | 61.1 | Low | 78 Ų | 78 | 116 Ų | 116 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -20 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S21 M26 | S21-A24 WeakPolarHBondContact O-CB 3.17Å; S21-A24 PolarHBondContact O-N 2.88Å; A24-M26 VanDerWaalsContact C-N 3.34Å |
| 25 | A | 58.8 | Low | 62.1 | Low | 87 Ų | 87 | 119.5 Ų | 119.5 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -81.1 | -17.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H22 | H22-A25 PolarHBondContact O-N 3.25Š|
| 26 | M | 66.3 | Low | 63.4 | Low | 117 Ų | 117 | 119 Ų | 119 | 58% | 0.576 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.3 | 125.5 | 170.8 | -61.9 | -69.4 | -72.2 | 0 | 0 | 107 | A24 I28 | A24-M26 VanDerWaalsContact C-N 3.34Å; M26-I28 HydrophobicContact CB-CD1 3.5Å; M26-I28 VanDerWaalsContact CB-CD1 3.5Å; M26-I28 HydrophobicContact CB-CG1 3.71Å; M26-I28 HydrophobicContact CE-CD1 4.37Å; M26-I28 HydrophobicContact CG-CD1 4.2Å; M26-I28 PolarHBondContact O-N 3.25Å |
| 27 | N | 64.4 | Low | 64.6 | Low | 171 Ų | 171 | 116.9 Ų | 116.9 | 91% | 0.914 | 69% | 0.692 | S | S | * | * | | | trans | -69.9 | 47.6 | 175.8 | -165.9 | 35.3 | 0 | 0 | 0 | 111.5 | | |
| 28 | I | 71.4 | Confident | 66.2 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 54% | 0.544 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -87.6 | 120.5 | 179.7 | -63.9 | 168.1 | 0 | 0 | 0 | 105.8 | M26 I30 | M26-I28 HydrophobicContact CB-CD1 3.5Å; M26-I28 VanDerWaalsContact CB-CD1 3.5Å; M26-I28 HydrophobicContact CB-CG1 3.71Å; M26-I28 HydrophobicContact CE-CD1 4.37Å; M26-I28 HydrophobicContact CG-CD1 4.2Å; M26-I28 PolarHBondContact O-N 3.25Å; I28-I30 PolarHBondContact O-N 2.7Å |
| 29 | P | 72.5 | Confident | 67.7 | Low | 112 Ų | 112 | 121 Ų | 121 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.9 | 178.6 | 24.6 | -32.5 | 0 | 0 | 0 | 109.2 | P31 | P29-P31 VanDerWaalsContact O-CD 3.31Å; P29-P31 WeakPolarHBondContact O-CD 3.34Å |
| 30 | I | 73 | Confident | 68.7 | Low | 131 Ų | 131 | 124.4 Ų | 124.4 | 67% | 0.672 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 120 | 175.4 | -59.9 | 175.3 | 0 | 0 | 0 | 107.4 | I28 F32 | I28-I30 PolarHBondContact O-N 2.7Å; I30-F32 VanDerWaalsContact O-CD2 3.24Å; I30-F32 WeakPolarHBondContact O-CD2 3.34Å; I30-F32 PolarHBondContact O-N 2.74Å |
| 31 | P | 69.6 | Low | 70 | Confident | 80 Ų | 80 | 124 Ų | 124 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | | | trans | -69.6 | 104.9 | 177.9 | 28 | -34.4 | 0 | 0 | 0 | 109.2 | P29 L34 | P29-P31 VanDerWaalsContact O-CD 3.31Å; P29-P31 WeakPolarHBondContact O-CD 3.34Å; P31-L34 HydrophobicContact CB-CD1 3.93Å; P31-L34 HydrophobicContact CB-CG 3.94Å; P31-L34 HydrophobicContact CG-CD1 3.34Å; P31-L34 HydrophobicContact CG-CG 3.9Å |
| 32 | F | 70 | Confident | 71.3 | Confident | 174 Ų | 174 | 126 Ų | 126 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 143.7 | 166.3 | -63.7 | -85.1 | 0 | 0 | 0 | 108.6 | I30 | I30-F32 VanDerWaalsContact O-CD2 3.24Å; I30-F32 WeakPolarHBondContact O-CD2 3.34Å; I30-F32 PolarHBondContact O-N 2.74Å |
| 33 | N | 62.2 | Low | 72.1 | Confident | 160 Ų | 160 | 120.5 Ų | 120.5 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.3 | 15.3 | -179 | -54.8 | 14.3 | 0 | 0 | 0 | 118.1 | V35 | N33-V35 VanDerWaalsContact C-N 3.32Š|
| 34 | L | 68.9 | Low | 72.5 | Confident | 140 Ų | 140 | 125.5 Ų | 125.5 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | trans | -77.8 | -12.3 | 172.3 | -69.2 | -172.3 | 0 | 0 | 0 | 115.1 | P31 M36 | P31-L34 HydrophobicContact CB-CD1 3.93Å; P31-L34 HydrophobicContact CB-CG 3.94Å; P31-L34 HydrophobicContact CG-CD1 3.34Å; P31-L34 HydrophobicContact CG-CG 3.9Å; L34-M36 PolarHBondContact O-N 2.88Å |
| 35 | V | 75.8 | Confident | 72.6 | Confident | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.2 | 103.8 | 179 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | N33 | N33-V35 VanDerWaalsContact C-N 3.32Š|
| 36 | M | 81.6 | Confident | 72.7 | Confident | 157 Ų | 157 | 130.7 Ų | 130.7 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132.1 | 167.5 | -169.7 | 163.1 | 66 | 0 | 0 | 108.1 | L34 | L34-M36 PolarHBondContact O-N 2.88Š|
| 37 | P | 79.4 | Confident | 72 | Confident | 102 Ų | 102 | 132.7 Ų | 132.7 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.4 | 174.2 | 24.6 | -33.4 | 0 | 0 | 0 | 109.4 | M39 | P37-M39 PolarHBondContact O-N 2.91Š|
| 38 | P | 81.2 | Confident | 71.5 | Confident | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.2 | 178.4 | 24.3 | -33.2 | 0 | 0 | 0 | 109.7 | | |
| 39 | M | 85.3 | Confident | 70.7 | Confident | 162 Ų | 162 | 131.3 Ų | 131.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.7 | 177.1 | -171.3 | -171.8 | -64.5 | 0 | 0 | 109 | P37 | P37-M39 PolarHBondContact O-N 2.91Š|
| 40 | P | 81.1 | Confident | 70 | Confident | 101 Ų | 101 | 128.5 Ų | 128.5 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144 | 173.1 | 26 | -33.5 | 0 | 0 | 0 | 109.9 | | |
| 41 | P | 82.1 | Confident | 68.9 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.4 | 178.7 | 24.7 | -32.9 | 0 | 0 | 0 | 110.8 | G43 | P41-G43 PolarHBondContact O-N 3.48Å; P41-G43 VanDerWaalsContact O-N 3.16Å |
| 42 | P | 83.3 | Confident | 68.2 | Low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 122.7 | 174.2 | -22.6 | 32.1 | 0 | 0 | 0 | 110.2 | Y44 | P42-Y44 PolarHBondContact O-N 3.47Š|
| 43 | G | 73 | Confident | 67.4 | Low | 55 Ų | 55 | 126.5 Ų | 126.5 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P41 F45 | P41-G43 PolarHBondContact O-N 3.48Å; P41-G43 VanDerWaalsContact O-N 3.16Å; G43-F45 PolarHBondContact O-N 3.09Å |
| 44 | Y | 65 | Low | 66.6 | Low | 213 Ų | 213 | 122.4 Ų | 122.4 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -69.2 | 66.8 | 170.2 | -71 | -95 | 0 | 0 | 0 | 110.1 | P42 G46 | P42-Y44 PolarHBondContact O-N 3.47Å; Y44-G46 PolarHBondContact O-N 3.44Å; Y44-G46 VanDerWaalsContact O-N 3.14Å |
| 45 | F | 60.5 | Low | 65.7 | Low | 208 Ų | 208 | 128.1 Ų | 128.1 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | | | trans | -77.8 | 94.1 | 164.4 | -78.9 | -80.3 | 0 | 0 | 0 | 107.9 | G43 | G43-F45 PolarHBondContact O-N 3.09Š|
| 46 | G | 59.1 | Low | 64.2 | Low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 113.2 | 33.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | Y44 A48 | Y44-G46 PolarHBondContact O-N 3.44Å; Y44-G46 VanDerWaalsContact O-N 3.14Å; G46-A48 PolarHBondContact O-N 2.9Å |
| 47 | Q | 53.6 | Low | 62.5 | Low | 158 Ų | 158 | 123.8 Ų | 123.8 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 70.3 | 148.3 | -86.8 | -156.8 | 57 | 0 | 0 | 109.3 | N49 | Q47-N49 PolarHBondContact O-N 3.22Š|
| 48 | A | 53.8 | Low | 61.4 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -78 | 68.8 | 157 | 0 | 0 | 0 | 0 | 0 | 107.6 | G46 G50 | G46-A48 PolarHBondContact O-N 2.9Å; A48-G50 PolarHBondContact O-N 2.89Å; A48-G50 VanDerWaalsContact O-N 3.08Å |
| 49 | N | 52.9 | Low | 59.6 | Low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -80.3 | 80.2 | 165.2 | -149.2 | 19.9 | 0 | 0 | 0 | 106.9 | Q47 | Q47-N49 PolarHBondContact O-N 3.22Š|
| 50 | G | 58.3 | Low | 57.8 | Low | 53 Ų | 53 | 125.4 Ų | 125.4 | 55% | 0.546 | 78% | 0.783 | S | S | . | * | S | Bend | trans | -147.1 | 143.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A48 A52 | A48-G50 PolarHBondContact O-N 2.89Å; A48-G50 VanDerWaalsContact O-N 3.08Å; G50-A52 PolarHBondContact O-N 3.15Å |
| 51 | P | 50.4 | Low | 56.1 | Low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -61.1 | 129.9 | -170.4 | 24.1 | -31.6 | 0 | 0 | 0 | 110.4 | A53 | P51-A53 PolarHBondContact O-N 3.03Š|
| 52 | A | 55.6 | Low | 54.3 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | | | trans | -63 | 85.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | G50 | G50-A52 PolarHBondContact O-N 3.15Š|
| 53 | A | 52.5 | Low | 52.4 | Low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -88.9 | 115.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P51 | P51-A53 PolarHBondContact O-N 3.03Š|
| 54 | G | 45.6 | Very low | 51.2 | Low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | 125.3 | 76.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G56 | G54-G56 PolarHBondContact O-N 3.42Š|
| 55 | R | 50.5 | Low | 50.1 | Low | 261 Ų | 261 | 133.4 Ų | 133.4 | 99% | 0.985 | 82% | 0.824 | S | S | * | * | | | trans | -60.6 | 121.3 | 144.1 | -72.7 | 178.5 | 175.9 | 178 | -1.2 | 107.6 | | |
| 56 | G | 43.3 | Very low | 49.3 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | -168.8 | 95.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G54 | G54-G56 PolarHBondContact O-N 3.42Š|
| 57 | T | 46.7 | Very low | 49 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | | | trans | 82.2 | 116.3 | 154 | 68.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 58 | P | 54.9 | Low | 48.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | | | trans | -97.7 | 112.6 | 153.4 | 32.9 | -21.7 | 0 | 0 | 0 | 109.2 | | |
| 59 | K | 43.8 | Very low | 48.6 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 92% | 0.922 | 84% | 0.839 | S | S | * | * | | | trans | -147.6 | 112.6 | 173.7 | -159.6 | 176.8 | -176.4 | -179.3 | 0 | 111.6 | | |
| 60 | G | 48.3 | Very low | 48.2 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | | | trans | 162.7 | 68.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 61 | K | 45.1 | Very low | 48 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 89% | 0.887 | 85% | 0.854 | S | S | * | * | | | trans | -63.6 | 145.1 | 171.5 | -76.2 | 174.6 | 170.6 | 176.1 | 0 | 112.3 | | |
| 62 | T | 43.2 | Very low | 47.9 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 87% | 0.865 | 86% | 0.859 | S | S | * | * | | | trans | 16.7 | 125.5 | 147.6 | 45.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 63 | G | 43.8 | Very low | 47.1 | Very low | 79 Ų | 79 | 152.4 Ų | 152.4 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | | | trans | -160.4 | 97.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 64 | R | 48.6 | Very low | 47 | Very low | 261 Ų | 261 | 155.9 Ų | 155.9 | 99% | 0.985 | 86% | 0.858 | S | S | * | * | | | trans | -71.4 | 137.6 | 156.5 | -76 | -175.3 | 177.4 | -173.8 | 0.4 | 108.2 | | |
| 65 | G | 40.9 | Very low | 47 | Very low | 84 Ų | 84 | 158.5 Ų | 158.5 | 87% | 0.866 | 86% | 0.862 | S | S | * | * | | | trans | 142.7 | 129.5 | 158 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 66 | G | 45.1 | Very low | 46.4 | Very low | 83 Ų | 83 | 149.1 Ų | 149.1 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | | | trans | 141.3 | 83.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 67 | R | 51.5 | Low | 46.8 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.898 | 86% | 0.857 | S | S | * | * | | | trans | -68.9 | 140.2 | 165.3 | -66.4 | 166.7 | 169.4 | 166.5 | -6.1 | 110.1 | | |
| 68 | Q | 49 | Very low | 46.6 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | | | trans | 171.1 | 110.1 | 130.6 | -97.8 | 171.2 | -57.8 | 0 | 0 | 109.2 | | |
| 69 | K | 50.8 | Low | 46.5 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 82% | 0.817 | 85% | 0.849 | S | S | * | * | | | | 57 | 108.5 | 100.6 | -80.2 | -168.8 | 174.9 | -174.4 | 0 | 111.1 | | |
| 70 | N | 44.1 | Very low | 46.5 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 84% | 0.837 | S | S | * | * | | | | -157.1 | 121.6 | 73.7 | -74.5 | -15.5 | 0 | 0 | 0 | 111.6 | | |
| 71 | R | 54.9 | Low | 46.4 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | | | trans | -83.2 | 123.4 | 149.5 | -70.3 | 178.3 | -159.3 | 177.5 | 5.1 | 105.6 | | |
| 72 | F | 48.9 | Very low | 46.7 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 95% | 0.952 | 83% | 0.831 | S | S | * | * | | | trans | 162.5 | 112.8 | 149.9 | -84.8 | -62.6 | 0 | 0 | 0 | 107.3 | | |
| 73 | G | 38 | Very low | 47 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | 145 | 91 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 74 | L | 49.8 | Very low | 47.1 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | | | trans | -98 | 155.1 | 142.6 | -78 | 149.3 | 0 | 0 | 0 | 105.8 | | |
| 75 | P | 45.7 | Very low | 46.9 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | | | cis | -137.1 | 165.8 | 25.5 | 38.7 | -20.1 | 0 | 0 | 0 | 115.5 | | |
| 76 | G | 39.2 | Very low | 47.5 | Very low | 65 Ų | 65 | 149.6 Ų | 149.6 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | | | trans | 169.1 | 121 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S78 | G76-S78 PolarHBondContact O-N 3.33Š|
| 77 | P | 51 | Low | 47.6 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -90.6 | 92.2 | 171.4 | 33.8 | -26.4 | 0 | 0 | 0 | 109.4 | | |
| 78 | S | 43.1 | Very low | 47.4 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -94.6 | 93.8 | 165.8 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | G76 T80 | G76-S78 PolarHBondContact O-N 3.33Å; S78-T80 PolarHBondContact O-N 2.92Å |
| 79 | Q | 51.3 | Low | 47.4 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -69.8 | 121.4 | 165.2 | -66.7 | -160.8 | 19.9 | 0 | 0 | 109 | | |
| 80 | T | 45.3 | Very low | 47.5 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | | | trans | -131.1 | 87.5 | 161.8 | -48.1 | 0 | 0 | 0 | 0 | 108 | S78 | S78-T80 PolarHBondContact O-N 2.92Š|
| 81 | N | 44.9 | Very low | 47.5 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 123.8 | 165.2 | -78.7 | -34.2 | 0 | 0 | 0 | 108.5 | | |
| 82 | L | 50.8 | Low | 47.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.8 | 166 | -84.6 | 73.4 | 0 | 0 | 0 | 109.1 | | |
| 83 | P | 51.3 | Low | 47.4 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125.9 | 177.6 | 29 | -30.8 | 0 | 0 | 0 | 111.5 | | |
| 84 | N | 44.9 | Very low | 48.3 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.5 | 171.8 | -164 | 37 | 0 | 0 | 0 | 109.7 | Q86 | N84-Q86 PolarHBondContact O-N 2.56Š|
| 85 | S | 45.3 | Very low | 49 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.8 | 178.9 | -83.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 86 | Q | 53.6 | Low | 48.8 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 130.5 | 170.4 | -65.9 | -169.6 | -24 | 0 | 0 | 110.8 | N84 | N84-Q86 PolarHBondContact O-N 2.56Š|
| 87 | A | 46.3 | Very low | 49.6 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | -135.6 | 78 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | S | 46.8 | Very low | 49.4 | Very low | 84 Ų | 84 | 138.3 Ų | 138.3 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | -82.2 | 116.7 | 165.8 | -166.9 | 0 | 0 | 0 | 0 | 107.4 | D90 | S88-D90 PolarHBondContact OG-OD2 3.37Š|
| 89 | Q | 49.5 | Very low | 49.6 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -119.9 | 101.7 | 151.1 | -77.2 | -159 | 14.8 | 0 | 0 | 107.8 | V91 | Q89-V91 PolarHBondContact O-N 2.97Š|
| 90 | D | 52.1 | Low | 49.4 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -56.5 | 114.5 | 170.9 | -57.3 | -97.1 | 0 | 0 | 0 | 110.9 | S88 | S88-D90 PolarHBondContact OG-OD2 3.37Š|
| 91 | V | 45.1 | Very low | 49.8 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -117.4 | 83.4 | 148.8 | 177.2 | 0 | 0 | 0 | 0 | 106.6 | Q89 | Q89-V91 PolarHBondContact O-N 2.97Š|
| 92 | A | 52.5 | Low | 50.2 | Low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | | | trans | -74.4 | 121.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 93 | S | 49.5 | Very low | 50.2 | Low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -139.5 | 69.3 | 160.7 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 94 | Q | 55.6 | Low | 49.9 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | 30.1 | 158.4 | 141.6 | -68.3 | -66.2 | -52.7 | 0 | 0 | 123 | | |
| 95 | P | 65.6 | Low | 50 | Low | 86 Ų | 86 | 136.8 Ų | 136.8 | 56% | 0.558 | 80% | 0.795 | S | S | * | * | | | trans | -111.7 | 165 | -145.7 | 42.2 | -34.6 | 0 | 0 | 0 | 114.5 | | |
| 96 | F | 40.9 | Very low | 50.4 | Low | 221 Ų | 221 | 139.1 Ų | 139.1 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | | | trans | -143.7 | 135.1 | 151.5 | -81.6 | -76.3 | 0 | 0 | 0 | 111.6 | | |
| 97 | S | 55.1 | Low | 49.7 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -88.3 | 149.7 | -165.3 | -45.4 | 0 | 0 | 0 | 0 | 115 | | |
| 98 | Q | 48.4 | Very low | 49.9 | Very low | 208 Ų | 208 | 138.8 Ų | 138.8 | 97% | 0.972 | 79% | 0.79 | S | S | * | * | | | trans | 173.7 | 130.5 | 143.6 | -108.9 | 179 | 57.3 | 0 | 0 | 107.7 | | |
| 99 | G | 46 | Very low | 50 | Low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | 177 | 161.4 | 7.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 100 | A | 46.8 | Very low | 50 | Low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -57.3 | 134.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117 | T102 | A100-T102 PolarHBondContact O-N 3.43Š|
| 101 | L | 54.8 | Low | 50.2 | Low | 180 Ų | 180 | 139 Ų | 139 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | | | trans | -81.6 | 98.6 | 165 | -68.9 | 173.7 | 0 | 0 | 0 | 109.6 | Q103 | L101-Q103 PolarHBondContact O-N 3.19Å; L101-Q103 VanDerWaalsContact O-N 3.15Å |
| 102 | T | 53.3 | Low | 50.2 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | -71.8 | 101 | 171.9 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | A100 G104 | A100-T102 PolarHBondContact O-N 3.43Å; T102-G104 PolarHBondContact O-N 2.84Å |
| 103 | Q | 51 | Low | 50.4 | Low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | | 0.3 | 111.1 | 128.9 | -171.2 | 176.3 | 34.7 | 0 | 0 | 115.3 | L101 | L101-Q103 PolarHBondContact O-N 3.19Å; L101-Q103 VanDerWaalsContact O-N 3.15Å |
| 104 | G | 44.3 | Very low | 50 | Low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | -159.1 | 114.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T102 | T102-G104 PolarHBondContact O-N 2.84Š|
| 105 | Y | 47.5 | Very low | 49.9 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | trans | -62.5 | 131.8 | 179.3 | -65.9 | -104.6 | 0 | 0 | 0 | 113.7 | | |
| 106 | I | 52.6 | Low | 49 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | | | trans | -163.8 | 93.6 | 151.4 | 16.5 | 177.5 | 0 | 0 | 0 | 106.8 | | |
| 107 | S | 40.7 | Very low | 49.7 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | | | | 61.2 | 128.8 | 74.1 | -162.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 108 | M | 50.1 | Low | 49.3 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -43.9 | 139.3 | 178.6 | -61.9 | -173.7 | -69.4 | 0 | 0 | 116.4 | | |
| 109 | S | 49.4 | Very low | 49.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -169.8 | 120.6 | 135.1 | 38.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 110 | Q | 49.2 | Very low | 49.5 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -55.7 | 178.7 | 152.2 | -79.5 | -174.1 | 17.4 | 0 | 0 | 111 | | |
| 111 | P | 55.7 | Low | 49.9 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | cis | -133.3 | 176.4 | 8.9 | 27.6 | -0.9 | 0 | 0 | 0 | 112.5 | | |
| 112 | S | 44.3 | Very low | 49.8 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | | 176.8 | 129.4 | 79.9 | -72.9 | 0 | 0 | 0 | 0 | 110 | | |
| 113 | Q | 58.3 | Low | 49.9 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -75.1 | 120.3 | 155.4 | -67.6 | -81.1 | 57 | 0 | 0 | 107.2 | | |
| 114 | M | 41.1 | Very low | 49.9 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -138.9 | 119.8 | 166.7 | -169.3 | 163.7 | 62.1 | 0 | 0 | 109.4 | | |
| 115 | S | 52.6 | Low | 50.4 | Low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -56.8 | 148.4 | -173.8 | -43.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 116 | Q | 47.6 | Very low | 50.5 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | -145 | 116.5 | 129.4 | -83.1 | -133 | 14.7 | 0 | 0 | 111 | | |
| 117 | P | 54.3 | Low | 50.6 | Low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -97.7 | 133.9 | 165.8 | 33.4 | -23.3 | 0 | 0 | 0 | 110.9 | | |
| 118 | G | 48 | Very low | 51.4 | Low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | 102.2 | 120.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 119 | L | 51.4 | Low | 51.6 | Low | 170 Ų | 170 | 142 Ų | 142 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | | -173.5 | 97.4 | 123.3 | -88.4 | 177.7 | 0 | 0 | 0 | 108.2 | | |
| 120 | S | 46.5 | Very low | 52 | Low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | trans | 40.7 | 107.3 | 135.9 | 47.8 | 0 | 0 | 0 | 0 | 120 | | |
| 121 | Q | 55.1 | Low | 52.5 | Low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | | 98.2 | 165.8 | 96.7 | -76.9 | -154 | -7.4 | 0 | 0 | 113.1 | | |
| 122 | P | 53.1 | Low | 52.6 | Low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | -120.1 | 166.2 | -33.2 | 34.8 | -18.2 | 0 | 0 | 0 | 112.1 | L124 | P122-L124 PolarHBondContact O-N 3.38Š|
| 123 | E | 56.2 | Low | 53.4 | Low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | | | trans | -61.7 | 118.8 | 173.9 | -63.2 | 176.6 | 153.8 | 0 | 0 | 112 | | |
| 124 | L | 49.6 | Very low | 53.5 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | | | trans | -147.8 | 105.1 | 162.3 | -71.1 | 178.6 | 0 | 0 | 0 | 110.9 | P122 | P122-L124 PolarHBondContact O-N 3.38Š|
| 125 | S | 54.8 | Low | 54.7 | Low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | 39.2 | 89.2 | 131 | -39.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 126 | Q | 50.5 | Low | 55.1 | Low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | | | trans | -125.2 | 17.3 | 161.9 | -73 | -171.4 | 44 | 0 | 0 | 113.8 | S128 | Q126-S128 PolarHBondContact O-N 2.92Å; Q126-S128 VanDerWaalsContact O-N 3.11Å |
| 127 | D | 54.7 | Low | 55.8 | Low | 170 Ų | 170 | 125.9 Ų | 125.9 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -84.2 | 47.1 | 171 | -61.6 | -26.6 | 0 | 0 | 0 | 111.8 | | |
| 128 | S | 57.7 | Low | 56.2 | Low | 74 Ų | 74 | 123.7 Ų | 123.7 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | | | trans | -173.4 | 66.9 | 162.7 | -164.2 | 0 | 0 | 0 | 0 | 112.2 | Q126 | Q126-S128 PolarHBondContact O-N 2.92Å; Q126-S128 VanDerWaalsContact O-N 3.11Å |
| 129 | Y | 53.8 | Low | 56.9 | Low | 189 Ų | 189 | 123.8 Ų | 123.8 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -124.4 | 6.6 | 161.9 | -138.3 | -88.7 | 0 | 0 | 0 | 112.8 | | |
| 130 | L | 58 | Low | 57.7 | Low | 158 Ų | 158 | 120.3 Ų | 120.3 | 83% | 0.827 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -98.3 | -24.4 | 171.6 | -101.6 | 74.6 | 0 | 0 | 0 | 113 | | |
| 131 | G | 58.6 | Low | 58.3 | Low | 41 Ų | 41 | 119.3 Ų | 119.3 | 42% | 0.423 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.1 | -42.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F134 K135 | G131-F134 PolarHBondContact O-N 3.03Å; G131-K135 WeakPolarHBondContact O-CB 3.34Å; G131-K135 PolarHBondContact O-N 2.99Å |
| 132 | D | 58.3 | Low | 58.6 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.4 | -41.1 | -176.3 | -62.9 | -37.4 | 0 | 0 | 0 | 111.4 | F134 K135 S136 | D132-F134 PolarHBondContact O-N 2.66Å; D132-K135 PolarHBondContact O-N 3.06Å; D132-S136 WeakPolarHBondContact O-CB 3.48Å; D132-S136 PolarHBondContact O-N 3.13Å; D132-S136 PolarHBondContact O-OG 3.31Å; D132-S136 VanDerWaalsContact O-OG 3.05Å |
| 133 | E | 60.5 | Low | 58.8 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 52% | 0.519 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 178.4 | -148.7 | 77.5 | -132.8 | 0 | 0 | 112.5 | Q137 | E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 3.11Å; E133-Q137 VanDerWaalsContact O-N 3.09Å |
| 134 | F | 62.3 | Low | 58.9 | Low | 132 Ų | 132 | 114 Ų | 114 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.5 | -40.2 | 178.6 | -175.4 | -106.7 | 0 | 0 | 0 | 111.9 | G131 D132 Q137 I138 | G131-F134 PolarHBondContact O-N 3.03Å; D132-F134 PolarHBondContact O-N 2.66Å; F134-Q137 PolarHBondContact O-N 3.15Å; F134-I138 HydrophobicContact CD1-CD1 3.79Å; F134-I138 HydrophobicContact CE1-CD1 3.33Å; F134-I138 HydrophobicContact CE1-CG1 4.38Å; F134-I138 HydrophobicContact CE2-CD1 4.5Å; F134-I138 HydrophobicContact CZ-CD1 3.74Å; F134-I138 HydrophobicContact CZ-CG1 4.47Å; F134-I138 WeakPolarHBondContact O-CG1 3.33Å; F134-I138 PolarHBondContact O-N 3.16Å; F134-I138 VanDerWaalsContact O-N 3.15Å |
| 135 | K | 64.5 | Low | 59.4 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 175 | -168.6 | -176.6 | -178.5 | -62.9 | 0 | 111.1 | G131 D132 Q137 I138 D139 | G131-K135 WeakPolarHBondContact O-CB 3.34Å; G131-K135 PolarHBondContact O-N 2.99Å; D132-K135 PolarHBondContact O-N 3.06Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 3.49Å; K135-I138 PolarHBondContact O-N 3.36Å; K135-D139 IonicContact NZ-OD1 2.66Å; K135-D139 IonicContact NZ-OD2 3.73Å; K135-D139 PolarHBondContact NZ-OD2 3.4Å; K135-D139 WeakPolarHBondContact O-CB 3.08Å; K135-D139 PolarHBondContact O-N 3.14Å |
| 136 | S | 62.8 | Low | 59.6 | Low | 66 Ų | 66 | 112.5 Ų | 112.5 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.2 | -37.7 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | D132 V140 | D132-S136 WeakPolarHBondContact O-CB 3.48Å; D132-S136 PolarHBondContact O-N 3.13Å; D132-S136 PolarHBondContact O-OG 3.31Å; D132-S136 VanDerWaalsContact O-OG 3.05Å; S136-V140 WeakPolarHBondContact O-CB 3.41Å; S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 3.47Å |
| 137 | Q | 60.8 | Low | 60.1 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.5 | -42.3 | 174.1 | -75.5 | 172.6 | 45.2 | 0 | 0 | 112.7 | E133 F134 K135 A141 | E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 3.11Å; E133-Q137 VanDerWaalsContact O-N 3.09Å; F134-Q137 PolarHBondContact O-N 3.15Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 3.49Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.31Å |
| 138 | I | 63.8 | Low | 59.6 | Low | 74 Ų | 74 | 110.8 Ų | 110.8 | 38% | 0.379 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -45.7 | 177.9 | -66.7 | 170.5 | 0 | 0 | 0 | 110.6 | F134 K135 V140 A141 L142 | F134-I138 HydrophobicContact CD1-CD1 3.79Å; F134-I138 HydrophobicContact CE1-CD1 3.33Å; F134-I138 HydrophobicContact CE1-CG1 4.38Å; F134-I138 HydrophobicContact CE2-CD1 4.5Å; F134-I138 HydrophobicContact CZ-CD1 3.74Å; F134-I138 HydrophobicContact CZ-CG1 4.47Å; F134-I138 WeakPolarHBondContact O-CG1 3.33Å; F134-I138 PolarHBondContact O-N 3.16Å; F134-I138 VanDerWaalsContact O-N 3.15Å; K135-I138 PolarHBondContact O-N 3.36Å; I138-V140 VanDerWaalsContact C-N 3.32Å; I138-V140 PolarHBondContact O-N 3.05Å; I138-A141 PolarHBondContact O-N 2.95Å; I138-L142 HydrophobicContact CG2-CD1 3.84Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 3.08Å |
| 139 | D | 62.4 | Low | 59.8 | Low | 69 Ų | 69 | 116.9 Ų | 116.9 | 37% | 0.369 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.2 | -39.7 | 179.2 | -71.8 | -20.1 | 0 | 0 | 0 | 110.6 | K135 L142 S143 | K135-D139 IonicContact NZ-OD1 2.66Å; K135-D139 IonicContact NZ-OD2 3.73Å; K135-D139 PolarHBondContact NZ-OD2 3.4Å; K135-D139 WeakPolarHBondContact O-CB 3.08Å; K135-D139 PolarHBondContact O-N 3.14Å; D139-L142 PolarHBondContact O-N 2.99Å; D139-S143 VanDerWaalsContact O-CB 3.26Å; D139-S143 WeakPolarHBondContact O-CB 3.48Å; D139-S143 PolarHBondContact O-N 2.75Å; D139-S143 PolarHBondContact O-OG 3.28Å |
| 140 | V | 67.1 | Low | 60.1 | Low | 97 Ų | 97 | 111 Ų | 111 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -37.9 | 174.4 | 168 | 0 | 0 | 0 | 0 | 112.3 | S136 I138 | S136-V140 WeakPolarHBondContact O-CB 3.41Å; S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 3.47Å; I138-V140 VanDerWaalsContact C-N 3.32Å; I138-V140 PolarHBondContact O-N 3.05Å |
| 141 | A | 60.9 | Low | 60 | Low | 70 Ų | 70 | 110.1 Ų | 110.1 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.7 | -35.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q137 I138 | Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.31Å; I138-A141 PolarHBondContact O-N 2.95Å |
| 142 | L | 60.5 | Low | 59.9 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 56% | 0.56 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.4 | -22.6 | 178.9 | -62.8 | 177.2 | 0 | 0 | 0 | 113.1 | I138 D139 Q144 D145 | I138-L142 HydrophobicContact CG2-CD1 3.84Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 3.08Å; D139-L142 PolarHBondContact O-N 2.99Å; L142-Q144 PolarHBondContact O-N 3.34Å; L142-D145 PolarHBondContact O-N 2.77Å; L142-D145 VanDerWaalsContact O-OD1 3.05Å |
| 143 | S | 57.1 | Low | 59.8 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 0.3 | 179.1 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | D139 | D139-S143 VanDerWaalsContact O-CB 3.26Å; D139-S143 WeakPolarHBondContact O-CB 3.48Å; D139-S143 PolarHBondContact O-N 2.75Å; D139-S143 PolarHBondContact O-OG 3.28Å |
| 144 | Q | 59.1 | Low | 59.5 | Low | 167 Ų | 167 | 123.9 Ų | 123.9 | 78% | 0.78 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 5.3 | -178.9 | -69.2 | -170.6 | 47.9 | 0 | 0 | 114.6 | L142 | L142-Q144 PolarHBondContact O-N 3.34Š|
| 145 | D | 58.5 | Low | 59.1 | Low | 127 Ų | 127 | 124.5 Ų | 124.5 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -92.4 | 5.1 | -177.4 | 67.8 | -6.3 | 0 | 0 | 0 | 115.1 | L142 | L142-D145 PolarHBondContact O-N 2.77Å; L142-D145 VanDerWaalsContact O-OD1 3.05Å |
| 146 | S | 60.1 | Low | 58.4 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | | | trans | -121.8 | 76.7 | -176.2 | -65 | 0 | 0 | 0 | 0 | 113.5 | | |
| 147 | T | 59.8 | Low | 58 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | | | trans | -159.9 | 85.2 | 145.3 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 148 | Y | 44.2 | Very low | 57.3 | Low | 177 Ų | 177 | 126.4 Ų | 126.4 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | | | trans | -148.4 | 72.2 | 142.3 | -159.8 | -102.4 | 0 | 0 | 0 | 109.5 | E151 | Y148-E151 HydrophobicContact CE1-CB 4.21Å; Y148-E151 WeakPolarHBondContact OH-CB 3.24Å; Y148-E151 PolarHBondContact OH-OE2 3.39Å |
| 149 | Q | 62.1 | Low | 56.8 | Low | 202 Ų | 202 | 129.7 Ų | 129.7 | 94% | 0.944 | 72% | 0.715 | S | S | * | * | | | trans | -100 | 100.4 | 164.1 | -164.3 | -176.4 | 5.3 | 0 | 0 | 106.9 | | |
| 150 | G | 60.9 | Low | 56.1 | Low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | | | trans | 127.3 | 76 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 151 | E | 56.3 | Low | 55.4 | Low | 139 Ų | 139 | 132.2 Ų | 132.2 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | -160.4 | 53.1 | 149.4 | -141.2 | 175.6 | 174.4 | 0 | 0 | 113.6 | Y148 | Y148-E151 HydrophobicContact CE1-CB 4.21Å; Y148-E151 WeakPolarHBondContact OH-CB 3.24Å; Y148-E151 PolarHBondContact OH-OE2 3.39Å |
| 152 | R | 55.3 | Low | 55.2 | Low | 247 Ų | 247 | 137.6 Ų | 137.6 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -127.8 | 25.5 | 157.3 | -79.1 | -142.7 | -74 | -152.3 | -2.5 | 113.1 | | |
| 153 | A | 55.8 | Low | 54.6 | Low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -95.7 | 15 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 154 | Y | 55.2 | Low | 54.1 | Low | 204 Ų | 204 | 140.6 Ų | 140.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -131.3 | 30.6 | 179.8 | -75.3 | -72.9 | 0 | 0 | 0 | 114.6 | | |
| 155 | Q | 53.7 | Low | 53.4 | Low | 144 Ų | 144 | 147.3 Ų | 147.3 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -129.7 | 122 | 163.6 | -84.8 | -66.8 | 97.7 | 0 | 0 | 109.1 | | |
| 156 | Y | 49.2 | Very low | 53.2 | Low | 199 Ų | 199 | 148.4 Ų | 148.4 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | | | trans | 91.8 | 41.1 | 172.3 | -51.7 | -78.3 | 0 | 0 | 0 | 117.5 | G158 | Y156-G158 PolarHBondContact O-N 3.48Š|
| 157 | G | 55.1 | Low | 52.8 | Low | 94 Ų | 94 | 151.1 Ų | 151.1 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | | | | -64.3 | 79.9 | 128.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 158 | G | 45.7 | Very low | 52.4 | Low | 55 Ų | 55 | 151.8 Ų | 151.8 | 57% | 0.567 | 81% | 0.812 | S | S | * | * | | | trans | -145.7 | 66.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y156 T160 | Y156-G158 PolarHBondContact O-N 3.48Å; G158-T160 PolarHBondContact O-N 3.42Å; G158-T160 VanDerWaalsContact O-N 3.13Å |
| 159 | V | 53.4 | Low | 52.9 | Low | 144 Ų | 144 | 150.3 Ų | 150.3 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | | | trans | -67.1 | 100 | 168.1 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 160 | T | 48.3 | Very low | 52.3 | Low | 135 Ų | 135 | 147.1 Ų | 147.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -157 | 108.5 | 145.6 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | G158 | G158-T160 PolarHBondContact O-N 3.42Å; G158-T160 VanDerWaalsContact O-N 3.13Å |
| 161 | G | 52.6 | Low | 51.8 | Low | 83 Ų | 83 | 152.5 Ų | 152.5 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | | | trans | -62.8 | 143.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 162 | L | 55.5 | Low | 51.4 | Low | 183 Ų | 183 | 153.5 Ų | 153.5 | 96% | 0.958 | 83% | 0.832 | S | S | * | * | | | trans | -114 | 89.5 | 162.7 | -164.9 | 75.6 | 0 | 0 | 0 | 107.6 | | |
| 163 | S | 48.4 | Very low | 51.2 | Low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | | | trans | -156.8 | 138.3 | 161.4 | -159.6 | 0 | 0 | 0 | 0 | 109 | | |
| 164 | Q | 46.2 | Very low | 50.8 | Low | 162 Ų | 162 | 151.1 Ų | 151.1 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | | | trans | 84 | 93.8 | 172.3 | -44.4 | -61.1 | 62.8 | 0 | 0 | 116.6 | | |
| 165 | Y | 46 | Very low | 50.4 | Low | 308 Ų | 308 | 146.3 Ų | 146.3 | 100% | 1.208 | 84% | 0.835 | S | S | * | * | | | | -168 | 0 | 109.1 | -99.4 | -75.5 | 0 | 0 | 0 | 110.2 | | |