| 1 | R | 49.9 | Very low | 52.9 | Low | 297 Ų | 297 | 147.8 Ų | 147.8 | 100% | 1.121 | 73% | 0.729 | S | S | * | * | | | | 0 | 106.1 | 0 | -82.4 | -178.9 | 154.8 | -163.2 | -5.9 | 108.3 | | |
| 2 | P | 43.4 | Very low | 53.1 | Low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | | | trans | -111.1 | 123.9 | 169.6 | 16.9 | 3.7 | 0 | 0 | 0 | 112.7 | | |
| 3 | S | 52.3 | Low | 53.2 | Low | 98 Ų | 98 | 146.1 Ų | 146.1 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | 34.9 | 105.4 | 145.5 | 56.3 | 0 | 0 | 0 | 0 | 120.2 | M5 | S3-M5 PolarHBondContact O-N 3.11Å; S3-M5 VanDerWaalsContact O-N 3.11Å |
| 4 | S | 49.4 | Very low | 53.3 | Low | 80 Ų | 80 | 140.4 Ų | 140.4 | 56% | 0.559 | 72% | 0.717 | S | S | * | * | | | trans | -61.6 | 100.6 | 156.8 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | Y6 | S4-Y6 PolarHBondContact O-N 3.33Š|
| 5 | M | 57.8 | Low | 53.3 | Low | 136 Ų | 136 | 141.3 Ų | 141.3 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | | | trans | -81.1 | 3.8 | 169.4 | -71.3 | -68.3 | -70.5 | 0 | 0 | 112.3 | S3 F7 | S3-M5 PolarHBondContact O-N 3.11Å; S3-M5 VanDerWaalsContact O-N 3.11Å; M5-F7 VanDerWaalsContact C-N 3.25Å; M5-F7 PolarHBondContact O-N 3.49Å |
| 6 | Y | 53.6 | Low | 53.3 | Low | 212 Ų | 212 | 141 Ų | 141 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -3.7 | -175.1 | -70 | -78.9 | 0 | 0 | 0 | 114.5 | S4 | S4-Y6 PolarHBondContact O-N 3.33Š|
| 7 | F | 52.1 | Low | 53.2 | Low | 164 Ų | 164 | 137.9 Ų | 137.9 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 38.5 | 179 | -58.9 | -73.9 | 0 | 0 | 0 | 112.1 | M5 T9 | M5-F7 VanDerWaalsContact C-N 3.25Å; M5-F7 PolarHBondContact O-N 3.49Å; F7-T9 PolarHBondContact O-N 2.85Å |
| 8 | Q | 52.7 | Low | 53.2 | Low | 137 Ų | 137 | 136.6 Ų | 136.6 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | | | trans | -73.1 | 72.7 | 160 | -162.9 | 88.7 | 28.2 | 0 | 0 | 107.7 | H10 | Q8-H10 PolarHBondContact O-N 2.81Š|
| 9 | T | 57.3 | Low | 53.5 | Low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | -59 | 109 | 166.4 | 49.1 | 0 | 0 | 0 | 0 | 106.3 | F7 D11 | F7-T9 PolarHBondContact O-N 2.85Å; T9-D11 PolarHBondContact O-N 3.01Å |
| 10 | H | 59.1 | Low | 53.5 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | -63.5 | 91 | 163.1 | -69.7 | -75.1 | 0 | 0 | 0 | 106.2 | Q8 Q12 | Q8-H10 PolarHBondContact O-N 2.81Å; H10-Q12 PolarHBondContact O-N 3.03Å |
| 11 | D | 54.5 | Low | 53.5 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 58% | 0.578 | 70% | 0.698 | S | S | * | * | | | trans | -69.7 | 91 | 174.7 | -158.8 | -0.5 | 0 | 0 | 0 | 106.7 | T9 I13 G14 | T9-D11 PolarHBondContact O-N 3.01Å; D11-I13 PolarHBondContact O-N 2.87Å; D11-I13 WeakPolarHBondContact OD1-CB 3.33Å; D11-I13 WeakPolarHBondContact OD1-CG1 3.4Å; D11-G14 PolarHBondContact O-N 3.18Å |
| 12 | Q | 55.5 | Low | 53.8 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -58.5 | -16.9 | 179.3 | -67.3 | 179.9 | 15.8 | 0 | 0 | 111.4 | H10 G14 M15 | H10-Q12 PolarHBondContact O-N 3.03Å; Q12-G14 PolarHBondContact O-N 3.25Å; Q12-M15 PolarHBondContact O-N 3.12Å; Q12-M15 VanDerWaalsContact O-N 3.12Å |
| 13 | I | 53.6 | Low | 54.4 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -64.6 | -27.1 | 175.4 | -52.8 | -175.8 | 0 | 0 | 0 | 111.2 | D11 M15 I16 | D11-I13 PolarHBondContact O-N 2.87Å; D11-I13 WeakPolarHBondContact OD1-CB 3.33Å; D11-I13 WeakPolarHBondContact OD1-CG1 3.4Å; I13-M15 VanDerWaalsContact C-N 3.29Å; I13-M15 PolarHBondContact O-N 3.4Å; I13-I16 PolarHBondContact O-N 2.98Å |
| 14 | G | 54.6 | Low | 54.6 | Low | 66 Ų | 66 | 118.8 Ų | 118.8 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -71.2 | -18.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | D11 Q12 | D11-G14 PolarHBondContact O-N 3.18Å; Q12-G14 PolarHBondContact O-N 3.25Å |
| 15 | M | 53.9 | Low | 55 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -86.1 | -15.8 | 172.8 | -64.1 | -148.7 | -50.2 | 0 | 0 | 112.9 | Q12 I13 S17 | Q12-M15 PolarHBondContact O-N 3.12Å; Q12-M15 VanDerWaalsContact O-N 3.12Å; I13-M15 VanDerWaalsContact C-N 3.29Å; I13-M15 PolarHBondContact O-N 3.4Å; M15-S17 PolarHBondContact O-N 3.35Å |
| 16 | I | 54.1 | Low | 55.3 | Low | 136 Ų | 136 | 118.2 Ų | 118.2 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | | | trans | -92.2 | 65.5 | 174.3 | -48.1 | 175.5 | 0 | 0 | 0 | 107.5 | I13 A18 | I13-I16 PolarHBondContact O-N 2.98Å; I16-A18 PolarHBondContact O-N 3.48Å |
| 17 | S | 50.5 | Low | 55.8 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | | | trans | -63 | 124.7 | 165.6 | -176.9 | 0 | 0 | 0 | 0 | 108 | M15 G19 | M15-S17 PolarHBondContact O-N 3.35Å; S17-G19 PolarHBondContact O-N 2.82Å; S17-G19 PolarHBondContact OG-N 3.27Å |
| 18 | A | 53.2 | Low | 56.6 | Low | 114 Ų | 114 | 113.4 Ų | 113.4 | 94% | 0.942 | 67% | 0.666 | S | S | * | * | | | trans | -71.3 | 30.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112 | I16 | I16-A18 PolarHBondContact O-N 3.48Š|
| 19 | G | 59 | Low | 57.5 | Low | 31 Ų | 31 | 112.2 Ų | 112.2 | 32% | 0.32 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -80 | 166.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S17 S21 | S17-G19 PolarHBondContact O-N 2.82Å; S17-G19 PolarHBondContact OG-N 3.27Å; G19-S21 PolarHBondContact O-N 2.72Å |
| 20 | P | 53.4 | Low | 58 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -46.8 | 120.9 | 176.5 | -22.9 | 31.2 | 0 | 0 | 0 | 109.3 | H22 | P20-H22 PolarHBondContact O-N 2.92Š|
| 21 | S | 54.8 | Low | 58.5 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | | | trans | -43.1 | 133.3 | -177.7 | -53.5 | 0 | 0 | 0 | 0 | 109 | G19 V23 A24 | G19-S21 PolarHBondContact O-N 2.72Å; S21-V23 PolarHBondContact O-N 3.29Å; S21-A24 WeakPolarHBondContact O-CB 3.48Å; S21-A24 PolarHBondContact O-N 3.04Å |
| 22 | H | 56.4 | Low | 58.9 | Low | 147 Ų | 147 | 113 Ų | 113 | 68% | 0.681 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -50.4 | -23.6 | -174.3 | -3.5 | -77.8 | 0 | 0 | 0 | 113.1 | P20 A25 M26 | P20-H22 PolarHBondContact O-N 2.92Å; H22-A25 PolarHBondContact O-N 3.31Å; H22-M26 WeakPolarHBondContact O-CG 3.45Å |
| 23 | V | 55.6 | Low | 59.1 | Low | 105 Ų | 105 | 112.4 Ų | 112.4 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.3 | -27.9 | 172.1 | -69.3 | 0 | 0 | 0 | 0 | 115.2 | S21 | S21-V23 PolarHBondContact O-N 3.29Å |
| 24 | A | 56.4 | Low | 59.6 | Low | 78 Ų | 78 | 113.1 Ų | 113.1 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.5 | -21.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S21 | S21-A24 WeakPolarHBondContact O-CB 3.48Å; S21-A24 PolarHBondContact O-N 3.04Å |
| 25 | A | 58.2 | Low | 60.4 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 72% | 0.719 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -83.5 | -16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | H22 | H22-A25 PolarHBondContact O-N 3.31Å |
| 26 | M | 62.8 | Low | 61.5 | Low | 117 Ų | 117 | 114.5 Ų | 114.5 | 58% | 0.576 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -87.1 | 130.3 | 171.2 | -63.7 | -72.2 | -72.2 | 0 | 0 | 107.5 | H22 I28 | H22-M26 WeakPolarHBondContact O-CG 3.45Å; M26-I28 HydrophobicContact CB-CB 4.43Å; M26-I28 HydrophobicContact CB-CD1 3.42Å; M26-I28 VanDerWaalsContact CB-CD1 3.42Å; M26-I28 HydrophobicContact CB-CG1 3.63Å; M26-I28 HydrophobicContact CE-CD1 4.35Å; M26-I28 HydrophobicContact CG-CD1 4.08Å; M26-I28 PolarHBondContact O-N 3.11Å |
| 27 | N | 63.8 | Low | 62.4 | Low | 175 Ų | 175 | 112.9 Ų | 112.9 | 94% | 0.936 | 67% | 0.67 | S | S | * | * | | | trans | -69 | 47.2 | 173.3 | -167.2 | 31 | 0 | 0 | 0 | 111.3 | | |
| 28 | I | 70 | Confident | 63.7 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 51% | 0.513 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -86.7 | 125.5 | 178.2 | -65.8 | 167 | 0 | 0 | 0 | 105.6 | M26 I30 | M26-I28 HydrophobicContact CB-CB 4.43Å; M26-I28 HydrophobicContact CB-CD1 3.42Å; M26-I28 VanDerWaalsContact CB-CD1 3.42Å; M26-I28 HydrophobicContact CB-CG1 3.63Å; M26-I28 HydrophobicContact CE-CD1 4.35Å; M26-I28 HydrophobicContact CG-CD1 4.08Å; M26-I28 PolarHBondContact O-N 3.11Å; I28-I30 PolarHBondContact O-N 2.7Å; I28-I30 VanDerWaalsContact O-N 3.11Å |
| 29 | P | 70.8 | Confident | 65 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.6 | 177.3 | 24.3 | -32.6 | 0 | 0 | 0 | 108.7 | P31 | P29-P31 WeakPolarHBondContact O-CD 3.4Š|
| 30 | I | 68.9 | Low | 65.8 | Low | 118 Ų | 118 | 120 Ų | 120 | 61% | 0.605 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.8 | 174.8 | -59.8 | 176.1 | 0 | 0 | 0 | 106.6 | I28 F32 V35 | I28-I30 PolarHBondContact O-N 2.7Å; I28-I30 VanDerWaalsContact O-N 3.11Å; I30-F32 PolarHBondContact O-N 2.88Å; I30-F32 VanDerWaalsContact O-N 3.14Å; I30-V35 HydrophobicContact CG2-CG2 3.98Å |
| 31 | P | 68.4 | Low | 67 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 123.3 | -179.4 | 24.5 | -32 | 0 | 0 | 0 | 108.8 | P29 N33 L34 | P29-P31 WeakPolarHBondContact O-CD 3.4Å; P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.29Å; P31-L34 HydrophobicContact CG-CD1 3.66Å; P31-L34 HydrophobicContact CG-CG 4.11Å; P31-L34 PolarHBondContact O-N 3.14Å |
| 32 | F | 62.4 | Low | 67.9 | Low | 200 Ų | 200 | 122 Ų | 122 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 101.1 | 167.8 | -67.2 | -85.1 | 0 | 0 | 0 | 107.2 | I30 | I30-F32 PolarHBondContact O-N 2.88Å; I30-F32 VanDerWaalsContact O-N 3.14Å |
| 33 | N | 59.6 | Low | 68.1 | Low | 138 Ų | 138 | 117.9 Ų | 117.9 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.9 | -10.5 | 170.9 | -88.2 | 13.7 | 0 | 0 | 0 | 111.6 | P31 | P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.29Å |
| 34 | L | 65.4 | Low | 68.2 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -91 | -23.1 | 176.1 | -69.5 | 178.5 | 0 | 0 | 0 | 114.8 | P31 | P31-L34 HydrophobicContact CG-CD1 3.66Å; P31-L34 HydrophobicContact CG-CG 4.11Å; P31-L34 PolarHBondContact O-N 3.14Å |
| 35 | V | 70.4 | Confident | 68.1 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -115.2 | -3.3 | -174 | -164.2 | 0 | 0 | 0 | 0 | 112 | I30 | I30-V35 HydrophobicContact CG2-CG2 3.98Š|
| 36 | M | 76.9 | Confident | 68 | Low | 131 Ų | 131 | 126.3 Ų | 126.3 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -83 | 123.2 | 175.3 | -165.1 | 156.2 | 66.5 | 0 | 0 | 108.7 | | |
| 37 | P | 73.6 | Confident | 67.5 | Low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 147.1 | 173.1 | 25.3 | -33.2 | 0 | 0 | 0 | 109.5 | M39 | P37-M39 PolarHBondContact O-N 3.33Š|
| 38 | P | 76.9 | Confident | 66.9 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133 | -179.7 | 24.5 | -33.5 | 0 | 0 | 0 | 110.1 | | |
| 39 | M | 80.8 | Confident | 66.2 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.8 | 174.4 | -77.6 | -107.8 | -69.7 | 0 | 0 | 109.6 | P37 | P37-M39 PolarHBondContact O-N 3.33Š|
| 40 | P | 76 | Confident | 65.5 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144 | 175.5 | 26.1 | -32.5 | 0 | 0 | 0 | 110.2 | | |
| 41 | P | 79.4 | Confident | 64.7 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 142.8 | 179.7 | -21.7 | 30.7 | 0 | 0 | 0 | 112.2 | G43 Y44 | P41-G43 PolarHBondContact O-N 3.24Å; P41-Y44 PolarHBondContact O-N 3.1Å |
| 42 | P | 72.9 | Confident | 64 | Low | 147 Ų | 147 | 127 Ų | 127 | 96% | 0.955 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 99.3 | 171.3 | -12.3 | 26 | 0 | 0 | 0 | 109.2 | | |
| 43 | G | 61.6 | Low | 63.5 | Low | 59 Ų | 59 | 122.2 Ų | 122.2 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.4 | -12.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P41 F45 | P41-G43 PolarHBondContact O-N 3.24Å; G43-F45 PolarHBondContact O-N 3.36Å |
| 44 | Y | 55.8 | Low | 62.8 | Low | 154 Ų | 154 | 119.3 Ų | 119.3 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74.7 | -7 | 178.8 | -119 | -88.9 | 0 | 0 | 0 | 114.7 | P41 G46 Q47 | P41-Y44 PolarHBondContact O-N 3.1Å; Y44-G46 PolarHBondContact O-N 3.03Å; Y44-Q47 HydrophobicContact CD1-CB 4.49Å; Y44-Q47 HydrophobicContact CE1-CB 4.29Å; Y44-Q47 PolarHBondContact O-N 3.13Å |
| 45 | F | 55.4 | Low | 62.1 | Low | 228 Ų | 228 | 125 Ų | 125 | 100% | 1 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -69.6 | 15.7 | 170.6 | -80.8 | -77.9 | 0 | 0 | 0 | 114.2 | G43 | G43-F45 PolarHBondContact O-N 3.36Š|
| 46 | G | 55.3 | Low | 60.7 | Low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -132.3 | -10.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y44 A48 | Y44-G46 PolarHBondContact O-N 3.03Å; G46-A48 PolarHBondContact O-N 3.2Å |
| 47 | Q | 53.4 | Low | 59.2 | Low | 149 Ų | 149 | 122.6 Ų | 122.6 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | trans | -100.5 | 66 | 175.1 | -72 | -147.1 | 60.8 | 0 | 0 | 110.3 | Y44 N49 | Y44-Q47 HydrophobicContact CD1-CB 4.49Å; Y44-Q47 HydrophobicContact CE1-CB 4.29Å; Y44-Q47 PolarHBondContact O-N 3.13Å; Q47-N49 PolarHBondContact O-N 3.28Å |
| 48 | A | 51.2 | Low | 58.3 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -63 | 112.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107 | G46 G50 | G46-A48 PolarHBondContact O-N 3.2Å; A48-G50 PolarHBondContact O-N 3.25Å; A48-G50 VanDerWaalsContact O-N 3.08Å |
| 49 | N | 55.7 | Low | 56.6 | Low | 178 Ų | 178 | 128.2 Ų | 128.2 | 95% | 0.952 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -40.6 | 109 | 174.5 | -151.4 | 20.3 | 0 | 0 | 0 | 111.5 | Q47 | Q47-N49 PolarHBondContact O-N 3.28Š|
| 50 | G | 55.6 | Low | 54.9 | Low | 55 Ų | 55 | 124 Ų | 124 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 169.1 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A48 A52 | A48-G50 PolarHBondContact O-N 3.25Å; A48-G50 VanDerWaalsContact O-N 3.08Å; G50-A52 PolarHBondContact O-N 3Å |
| 51 | P | 51.2 | Low | 53.6 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 137.1 | 177.9 | 26.4 | -31.6 | 0 | 0 | 0 | 109.5 | A53 | P51-A53 VanDerWaalsContact C-N 3.27Å; P51-A53 PolarHBondContact O-N 2.88Å |
| 52 | A | 54.8 | Low | 51.8 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 95% | 0.95 | 81% | 0.809 | S | S | * | * | | | trans | -59.1 | 87.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G50 | G50-A52 PolarHBondContact O-N 3Š|
| 53 | A | 51.6 | Low | 50.2 | Low | 99 Ų | 99 | 128.2 Ų | 128.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -99 | 115.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P51 | P51-A53 VanDerWaalsContact C-N 3.27Å; P51-A53 PolarHBondContact O-N 2.88Å |
| 54 | G | 45.2 | Very low | 49.5 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | trans | 146.8 | 92.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 55 | R | 50.1 | Low | 49 | Very low | 260 Ų | 260 | 134.1 Ų | 134.1 | 98% | 0.981 | 83% | 0.827 | S | S | * | * | | | trans | -53.7 | 135.5 | 157.6 | -66.4 | 172.9 | 172.4 | 179.9 | -3.3 | 110 | | |
| 56 | G | 41.3 | Very low | 48.8 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | | | trans | -159.1 | 76.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 57 | T | 45.6 | Very low | 48.5 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | | | trans | 51.2 | 125.1 | 153.1 | 56.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 58 | P | 53.8 | Low | 48.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | | | trans | -88.2 | 112.7 | 164.1 | 33.9 | -26.2 | 0 | 0 | 0 | 110.3 | | |
| 59 | K | 41.9 | Very low | 48.2 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | | | trans | -160 | 121.2 | 170.6 | -151.1 | 175.5 | -176.5 | 180 | 0 | 108.9 | | |
| 60 | G | 45.6 | Very low | 47.8 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | cis | -164.6 | 163 | 3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | K | 48.4 | Very low | 47.6 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | | | trans | -81.8 | 151.2 | 166.3 | -78.1 | 176.7 | 172.6 | 176 | 0 | 109.9 | | |
| 62 | T | 41 | Very low | 47.2 | Very low | 149 Ų | 149 | 153 Ų | 153 | 91% | 0.914 | 85% | 0.852 | S | S | * | * | | | trans | 66.9 | 122.4 | 157.8 | 46.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 63 | G | 39.7 | Very low | 46.5 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | | | trans | 152.7 | 95.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 64 | R | 47.8 | Very low | 46.3 | Very low | 258 Ų | 258 | 154.6 Ų | 154.6 | 97% | 0.974 | 85% | 0.848 | S | S | * | * | | | trans | 25.1 | 113.7 | 144.9 | -59 | -175.8 | -176.2 | -170.8 | 1.4 | 118.6 | | |
| 65 | G | 45 | Very low | 46.4 | Very low | 79 Ų | 79 | 157 Ų | 157 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | | | trans | -152.6 | 88.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 66 | G | 50.3 | Low | 46 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | | | trans | -68 | 147.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 67 | R | 49.6 | Very low | 46.5 | Very low | 253 Ų | 253 | 151 Ų | 151 | 96% | 0.955 | 85% | 0.845 | S | S | * | * | | | trans | -160.7 | 95.2 | 145.9 | -101.6 | 162 | -164.3 | -168.8 | 4.4 | 107.9 | | |
| 68 | Q | 49.9 | Very low | 46.4 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | | | trans | -66.2 | 143.1 | 164 | -81.9 | 176.7 | -57.6 | 0 | 0 | 110.3 | | |
| 69 | K | 48.9 | Very low | 46 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 79% | 0.787 | 84% | 0.839 | S | S | * | * | | | trans | 60.2 | 131 | 151.7 | -70.4 | 179.2 | 172.2 | -179.1 | 0 | 116.2 | | |
| 70 | N | 46.3 | Very low | 46.5 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | | | | -145.4 | 123.5 | 75.2 | -75.5 | -10 | 0 | 0 | 0 | 113 | | |
| 71 | R | 51.4 | Low | 46.3 | Very low | 225 Ų | 225 | 150.5 Ų | 150.5 | 85% | 0.849 | 83% | 0.831 | S | S | * | * | | | trans | -76.6 | 161.5 | 147.9 | -65.1 | 178.2 | -163 | 177.4 | 3.5 | 107.6 | | |
| 72 | F | 42.4 | Very low | 46.6 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | | | trans | 104.8 | 96.9 | 173.3 | -56.6 | -70.2 | 0 | 0 | 0 | 116 | | |
| 73 | G | 41.5 | Very low | 47.1 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | | | trans | -167.9 | 123.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 74 | L | 46.8 | Very low | 47.5 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 164 | -165 | -76 | 98.6 | 0 | 0 | 0 | 116.3 | | |
| 75 | P | 47.3 | Very low | 47.4 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.2 | 179.1 | 33 | -31.6 | 0 | 0 | 0 | 111.3 | | |
| 76 | G | 40.5 | Very low | 47.8 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 139.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 77 | P | 52.3 | Low | 47.8 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -87.6 | 110 | 176.4 | 33.5 | -27.2 | 0 | 0 | 0 | 109.3 | | |
| 78 | S | 44.4 | Very low | 47.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -137.6 | 86.1 | 169.3 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 79 | Q | 45.9 | Very low | 47.9 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | 32.5 | 111.8 | 136.2 | -56.1 | -163.1 | 10.1 | 0 | 0 | 118.1 | N81 | Q79-N81 PolarHBondContact O-N 3.44Š|
| 80 | T | 51.7 | Low | 48 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -29.2 | 119.7 | 144.4 | -42.9 | 0 | 0 | 0 | 0 | 112.5 | L82 | T80-L82 HydrophobicContact CG2-CD1 4.27Š|
| 81 | N | 42 | Very low | 48 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -149 | 100.3 | 157 | -92.9 | -30.9 | 0 | 0 | 0 | 108.6 | Q79 P83 | Q79-N81 PolarHBondContact O-N 3.44Å; N81-P83 WeakPolarHBondContact O-CD 3.45Å |
| 82 | L | 54.5 | Low | 48 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -74.5 | 126.4 | 160.6 | -84.1 | 69.4 | 0 | 0 | 0 | 108.3 | T80 | T80-L82 HydrophobicContact CG2-CD1 4.27Š|
| 83 | P | 51.8 | Low | 48.6 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -92.6 | 113.1 | 148.5 | 29.9 | -24.8 | 0 | 0 | 0 | 109 | N81 S85 | N81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-S85 PolarHBondContact O-N 3.44Å |
| 84 | N | 46.4 | Very low | 49.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | -56.5 | 94.4 | 163.2 | -173.8 | 49 | 0 | 0 | 0 | 109.5 | Q86 | N84-Q86 PolarHBondContact O-N 2.93Š|
| 85 | S | 47.2 | Very low | 49.7 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -88.5 | 91.6 | 170.1 | -87.6 | 0 | 0 | 0 | 0 | 109.7 | P83 A87 | P83-S85 PolarHBondContact O-N 3.44Å; S85-A87 PolarHBondContact O-N 2.93Å |
| 86 | Q | 53.3 | Low | 49.6 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 109 | 155.6 | -69 | -167.5 | -26.2 | 0 | 0 | 108.5 | N84 | N84-Q86 PolarHBondContact O-N 2.93Š|
| 87 | A | 48.8 | Very low | 50.2 | Low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -105.9 | 77.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S85 | S85-A87 PolarHBondContact O-N 2.93Š|
| 88 | S | 52.2 | Low | 50.3 | Low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -93.9 | 102.8 | 159.6 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 89 | Q | 50.5 | Low | 50.4 | Low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | -143.3 | 96.2 | 157.3 | -72.5 | -161.8 | 7.2 | 0 | 0 | 108.6 | V91 | Q89-V91 PolarHBondContact O-N 2.58Š|
| 90 | D | 51.8 | Low | 50.5 | Low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | | 28.1 | 90.1 | 128.4 | -50.5 | -72.2 | 0 | 0 | 0 | 117.1 | | |
| 91 | V | 44.8 | Very low | 50.6 | Low | 143 Ų | 143 | 131.5 Ų | 131.5 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | -106.6 | 81 | 147.8 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | Q89 | Q89-V91 PolarHBondContact O-N 2.58Š|
| 92 | A | 51.5 | Low | 51 | Low | 79 Ų | 79 | 131.2 Ų | 131.2 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | | | trans | -66.4 | 152.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 93 | S | 54.9 | Low | 50.9 | Low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | 80.7 | 109.3 | 176.3 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 94 | Q | 57.5 | Low | 50.9 | Low | 147 Ų | 147 | 130.3 Ų | 130.3 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | | -151.2 | 136.8 | 64.7 | -68.2 | -68.8 | -48.9 | 0 | 0 | 112.8 | F96 | Q94-F96 HydrophobicContact CB-CD2 4.44Å; Q94-F96 HydrophobicContact CB-CE2 4.39Å; Q94-F96 PolarHBondContact O-N 2.88Å |
| 95 | P | 54.4 | Low | 50.5 | Low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | trans | -80 | 106.5 | 160.4 | 32 | -26.2 | 0 | 0 | 0 | 108.1 | S97 | P95-S97 PolarHBondContact O-N 3.13Š|
| 96 | F | 44.8 | Very low | 50.8 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 103.8 | 164.2 | -90.1 | -78.7 | 0 | 0 | 0 | 108.5 | Q94 | Q94-F96 HydrophobicContact CB-CD2 4.44Å; Q94-F96 HydrophobicContact CB-CE2 4.39Å; Q94-F96 PolarHBondContact O-N 2.88Å |
| 97 | S | 52.6 | Low | 50.2 | Low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | -44.3 | 131.4 | -175.7 | -52.9 | 0 | 0 | 0 | 0 | 114.6 | P95 G99 | P95-S97 PolarHBondContact O-N 3.13Å; S97-G99 PolarHBondContact O-N 3.26Å |
| 98 | Q | 54.3 | Low | 50.3 | Low | 199 Ų | 199 | 137.8 Ų | 137.8 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | | | trans | -41.4 | 109.4 | 148.6 | -165.2 | 177.4 | 86.6 | 0 | 0 | 110.2 | | |
| 99 | G | 48 | Very low | 50.3 | Low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -88.3 | 139.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S97 | S97-G99 PolarHBondContact O-N 3.26Š|
| 100 | A | 47.4 | Very low | 50.3 | Low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -55 | 147.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | T102 | A100-T102 PolarHBondContact O-N 3.32Š|
| 101 | L | 53.2 | Low | 50.2 | Low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -51.3 | 110 | 159 | -62.7 | 163.2 | 0 | 0 | 0 | 110.4 | | |
| 102 | T | 51.1 | Low | 50.5 | Low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | -109.8 | 74.1 | 162.5 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | A100 G104 | A100-T102 PolarHBondContact O-N 3.32Å; T102-G104 PolarHBondContact O-N 3.47Å |
| 103 | Q | 52.6 | Low | 50.3 | Low | 200 Ų | 200 | 138.1 Ų | 138.1 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | | | trans | -58.3 | 110.1 | 144.8 | 177.1 | -178.4 | 26.8 | 0 | 0 | 108.3 | | |
| 104 | G | 51.2 | Low | 50 | Low | 49 Ų | 49 | 142.2 Ų | 142.2 | 51% | 0.505 | 79% | 0.785 | S | S | . | * | | | trans | -176.7 | 108.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T102 | T102-G104 PolarHBondContact O-N 3.47Š|
| 105 | Y | 39.4 | Very low | 49.5 | Very low | 228 Ų | 228 | 140.9 Ų | 140.9 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | 83.2 | 84.8 | 162.6 | -43.4 | -72.9 | 0 | 0 | 0 | 117.4 | S107 | Y105-S107 PolarHBondContact O-N 3.04Š|
| 106 | I | 53 | Low | 49.5 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | | | trans | -30.1 | 112.6 | 131.5 | -16.5 | 174.6 | 0 | 0 | 0 | 110.3 | | |
| 107 | S | 39.4 | Very low | 49.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -131.5 | 95.7 | 154.3 | -172 | 0 | 0 | 0 | 0 | 108 | Y105 S109 | Y105-S107 PolarHBondContact O-N 3.04Å; S107-S109 VanDerWaalsContact C-N 3.32Å; S107-S109 PolarHBondContact O-N 3.49Å; S107-S109 PolarHBondContact OG-OG 3.29Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å |
| 108 | M | 52.1 | Low | 49.2 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -62.4 | 92.5 | 159.7 | -74.6 | -159.1 | -61.2 | 0 | 0 | 109.6 | | |
| 109 | S | 51.2 | Low | 49.4 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | -129.4 | 95.1 | 161.7 | 0.4 | 0 | 0 | 0 | 0 | 108.7 | S107 | S107-S109 VanDerWaalsContact C-N 3.32Å; S107-S109 PolarHBondContact O-N 3.49Å; S107-S109 PolarHBondContact OG-OG 3.29Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å |
| 110 | Q | 51.8 | Low | 49.3 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | -45.3 | 149.3 | 157.9 | -71.2 | 175.1 | -4.7 | 0 | 0 | 110.4 | | |
| 111 | P | 47.9 | Very low | 50 | Low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | | -118.6 | 109.6 | 129.1 | 30.3 | -23.4 | 0 | 0 | 0 | 109.3 | Q113 | P111-Q113 PolarHBondContact O-N 3.49Š|
| 112 | S | 51.4 | Low | 50.1 | Low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | | | trans | -50.3 | 122.5 | 146.6 | -63.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 113 | Q | 47.3 | Very low | 49.7 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -150.4 | 95.8 | 139 | -74.3 | -52 | 47.6 | 0 | 0 | 110.2 | P111 | P111-Q113 PolarHBondContact O-N 3.49Š|
| 114 | M | 50.1 | Low | 49.7 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -59.4 | 117.3 | 151.7 | 166 | 175.3 | 55.2 | 0 | 0 | 109.2 | | |
| 115 | S | 46.5 | Very low | 49.7 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -171 | 109 | 151 | -76.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 116 | Q | 53.4 | Low | 50.3 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 163.5 | 147.9 | -67.6 | -148.3 | 4 | 0 | 0 | 108.3 | | |
| 117 | P | 51.3 | Low | 50.3 | Low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | cis | -143.7 | 161.8 | 29.9 | 38.6 | -17.5 | 0 | 0 | 0 | 116.1 | | |
| 118 | G | 40 | Very low | 51.1 | Low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -176.6 | 64 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S120 | G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 2.69Å; G118-S120 VanDerWaalsContact O-N 3.13Å |
| 119 | L | 59.7 | Low | 51.2 | Low | 187 Ų | 187 | 139.9 Ų | 139.9 | 98% | 0.979 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 88.7 | 159.8 | -73.3 | 169.4 | 0 | 0 | 0 | 108.4 | | |
| 120 | S | 44.8 | Very low | 51.5 | Low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -124.7 | 87.9 | 161.8 | 52.9 | 0 | 0 | 0 | 0 | 108.2 | G118 | G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 2.69Å; G118-S120 VanDerWaalsContact O-N 3.13Å |
| 121 | Q | 62.4 | Low | 51.9 | Low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | -63.7 | 145.4 | 149.8 | -71 | -150.5 | -26.5 | 0 | 0 | 108.9 | | |
| 122 | P | 56.5 | Low | 52.5 | Low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | | -135.4 | 135.6 | 116.3 | 19.4 | 1 | 0 | 0 | 0 | 113.1 | | |
| 123 | E | 41.5 | Very low | 53 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | 80.3 | 89.8 | 142.9 | -60.4 | 179.6 | -175.2 | 0 | 0 | 119.6 | S125 | E123-S125 VanDerWaalsContact C-N 3.34Å; E123-S125 PolarHBondContact O-N 2.96Å; E123-S125 PolarHBondContact O-OG 2.95Å |
| 124 | L | 53 | Low | 53.9 | Low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | | 15.2 | 64.7 | 123.7 | -61.7 | 172 | 0 | 0 | 0 | 117.6 | | |
| 125 | S | 51.6 | Low | 54.7 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -115.9 | 15 | 168.1 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | E123 | E123-S125 VanDerWaalsContact C-N 3.34Å; E123-S125 PolarHBondContact O-N 2.96Å; E123-S125 PolarHBondContact O-OG 2.95Å |
| 126 | Q | 50.9 | Low | 55.6 | Low | 183 Ų | 183 | 129.2 Ų | 129.2 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | | | trans | -98.8 | 7 | -168.8 | -69.9 | -171.9 | 31.3 | 0 | 0 | 115.6 | | |
| 127 | D | 53.3 | Low | 56.1 | Low | 148 Ų | 148 | 126.2 Ų | 126.2 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.9 | 9.7 | -171.3 | -62 | -15.3 | 0 | 0 | 0 | 115 | | |
| 128 | S | 56.5 | Low | 56.8 | Low | 83 Ų | 83 | 123.7 Ų | 123.7 | 58% | 0.58 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -144.2 | 54.1 | 179.7 | -157.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 129 | Y | 53 | Low | 58.1 | Low | 184 Ų | 184 | 124 Ų | 124 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -134.6 | -13.8 | 164 | -137 | -94.9 | 0 | 0 | 0 | 113.5 | | |
| 130 | L | 59.1 | Low | 58.5 | Low | 155 Ų | 155 | 119.8 Ų | 119.8 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.2 | -30.3 | 171.9 | -102.8 | 73.6 | 0 | 0 | 0 | 113 | F134 | L130-F134 WeakPolarHBondContact O-CB 3.45Å; L130-F134 PolarHBondContact O-N 2.82Å |
| 131 | G | 59.6 | Low | 59.4 | Low | 47 Ų | 47 | 118.1 Ų | 118.1 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72 | -43.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F134 K135 | G131-F134 PolarHBondContact O-N 3.19Å; G131-K135 VanDerWaalsContact O-CB 3.23Å; G131-K135 WeakPolarHBondContact O-CB 3.32Å; G131-K135 PolarHBondContact O-N 3.32Å |
| 132 | D | 59.9 | Low | 59.3 | Low | 93 Ų | 93 | 114.6 Ų | 114.6 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | -177.5 | -62.7 | -38.1 | 0 | 0 | 0 | 111.8 | S136 | D132-S136 WeakPolarHBondContact O-CB 3.3Å; D132-S136 PolarHBondContact O-N 3.3Å; D132-S136 PolarHBondContact O-OG 2.67Å |
| 133 | E | 63.1 | Low | 59.4 | Low | 111 Ų | 111 | 113.8 Ų | 113.8 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.7 | -42 | 178.2 | -148.6 | 75.9 | -137.5 | 0 | 0 | 111.9 | S136 Q137 | E133-S136 PolarHBondContact O-N 3.21Å; E133-Q137 WeakPolarHBondContact O-CG 3.19Å; E133-Q137 PolarHBondContact O-N 2.81Å |
| 134 | F | 65.4 | Low | 60.2 | Low | 133 Ų | 133 | 114.1 Ų | 114.1 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.6 | -41 | 178.6 | -175.3 | -107.8 | 0 | 0 | 0 | 111.9 | L130 G131 S136 Q137 I138 | L130-F134 WeakPolarHBondContact O-CB 3.45Å; L130-F134 PolarHBondContact O-N 2.82Å; G131-F134 PolarHBondContact O-N 3.19Å; F134-S136 VanDerWaalsContact C-N 3.34Å; F134-Q137 PolarHBondContact O-N 3.17Å; F134-I138 HydrophobicContact CD1-CD1 3.77Å; F134-I138 HydrophobicContact CE1-CD1 3.34Å; F134-I138 HydrophobicContact CE1-CG1 4.42Å; F134-I138 HydrophobicContact CE2-CD1 4.48Å; F134-I138 HydrophobicContact CZ-CD1 3.75Å; F134-I138 WeakPolarHBondContact O-CG1 3.33Å; F134-I138 PolarHBondContact O-N 2.87Å; F134-I138 VanDerWaalsContact O-N 3.13Å |
| 135 | K | 67.4 | Low | 60.5 | Low | 117 Ų | 117 | 111.9 Ų | 111.9 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 175.2 | -162.6 | -172.3 | 176.3 | -58.1 | 0 | 111.3 | G131 Q137 I138 D139 | G131-K135 VanDerWaalsContact O-CB 3.23Å; G131-K135 WeakPolarHBondContact O-CB 3.32Å; G131-K135 PolarHBondContact O-N 3.32Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 2.7Å; K135-I138 PolarHBondContact O-N 3.42Å; K135-D139 IonicContact NZ-OD1 3.52Å; K135-D139 IonicContact NZ-OD2 2.69Å; K135-D139 PolarHBondContact NZ-OD2 3.4Å; K135-D139 WeakPolarHBondContact O-CB 3.36Å; K135-D139 PolarHBondContact O-N 3.02Å |
| 136 | S | 65.9 | Low | 60.8 | Low | 63 Ų | 63 | 112 Ų | 112 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.3 | -37.7 | 175 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | D132 E133 F134 V140 | D132-S136 WeakPolarHBondContact O-CB 3.3Å; D132-S136 PolarHBondContact O-N 3.3Å; D132-S136 PolarHBondContact O-OG 2.67Å; E133-S136 PolarHBondContact O-N 3.21Å; F134-S136 VanDerWaalsContact C-N 3.34Å; S136-V140 WeakPolarHBondContact O-CB 3.45Å; S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 2.89Å |
| 137 | Q | 62.9 | Low | 61.2 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | 174.1 | -75.2 | 173.3 | 41.2 | 0 | 0 | 112.5 | E133 F134 K135 A141 | E133-Q137 WeakPolarHBondContact O-CG 3.19Å; E133-Q137 PolarHBondContact O-N 2.81Å; F134-Q137 PolarHBondContact O-N 3.17Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 2.7Å; Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.23Å; Q137-A141 PolarHBondContact O-N 3.35Å |
| 138 | I | 66.6 | Low | 61.2 | Low | 72 Ų | 72 | 110.4 Ų | 110.4 | 37% | 0.369 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.8 | -45.9 | 177.4 | -66.9 | 169.7 | 0 | 0 | 0 | 110.5 | F134 K135 V140 A141 L142 | F134-I138 HydrophobicContact CD1-CD1 3.77Å; F134-I138 HydrophobicContact CE1-CD1 3.34Å; F134-I138 HydrophobicContact CE1-CG1 4.42Å; F134-I138 HydrophobicContact CE2-CD1 4.48Å; F134-I138 HydrophobicContact CZ-CD1 3.75Å; F134-I138 WeakPolarHBondContact O-CG1 3.33Å; F134-I138 PolarHBondContact O-N 2.87Å; F134-I138 VanDerWaalsContact O-N 3.13Å; K135-I138 PolarHBondContact O-N 3.42Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.38Å; I138-A141 PolarHBondContact O-N 3Å; I138-L142 HydrophobicContact CG2-CD1 3.7Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.2Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 3.32Å |
| 139 | D | 66.3 | Low | 61.4 | Low | 74 Ų | 74 | 116.1 Ų | 116.1 | 40% | 0.396 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.1 | -40.4 | 179.2 | -71.7 | -17.9 | 0 | 0 | 0 | 110.7 | K135 L142 S143 | K135-D139 IonicContact NZ-OD1 3.52Å; K135-D139 IonicContact NZ-OD2 2.69Å; K135-D139 PolarHBondContact NZ-OD2 3.4Å; K135-D139 WeakPolarHBondContact O-CB 3.36Å; K135-D139 PolarHBondContact O-N 3.02Å; D139-L142 PolarHBondContact O-N 3.28Å; D139-S143 VanDerWaalsContact O-CB 3.31Å; D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 2.96Å; D139-S143 PolarHBondContact O-OG 3.44Å |
| 140 | V | 68.3 | Low | 61.6 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -38 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 112.4 | S136 I138 | S136-V140 WeakPolarHBondContact O-CB 3.45Å; S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 2.89Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.38Å |
| 141 | A | 63.1 | Low | 61.4 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.5 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q137 I138 | Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.23Å; Q137-A141 PolarHBondContact O-N 3.35Å; I138-A141 PolarHBondContact O-N 3Å |
| 142 | L | 60.9 | Low | 61.4 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 56% | 0.555 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.8 | -21.1 | 178.5 | -63.3 | 177.5 | 0 | 0 | 0 | 113.2 | I138 D139 Q144 D145 | I138-L142 HydrophobicContact CG2-CD1 3.7Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.2Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 3.32Å; D139-L142 PolarHBondContact O-N 3.28Å; L142-Q144 PolarHBondContact O-N 3.46Å; L142-D145 PolarHBondContact O-N 3.19Å |
| 143 | S | 58.4 | Low | 61 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -1 | 177.6 | -65.8 | 0 | 0 | 0 | 0 | 114.9 | D139 | D139-S143 VanDerWaalsContact O-CB 3.31Å; D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 2.96Å; D139-S143 PolarHBondContact O-OG 3.44Å |
| 144 | Q | 59.3 | Low | 60.6 | Low | 167 Ų | 167 | 122.1 Ų | 122.1 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 6.2 | -178.8 | -67.5 | -172.1 | 49.9 | 0 | 0 | 114.3 | L142 | L142-Q144 PolarHBondContact O-N 3.46Š|
| 145 | D | 58 | Low | 60.1 | Low | 120 Ų | 120 | 123.6 Ų | 123.6 | 64% | 0.642 | 65% | 0.652 | S | S | * | * | | | trans | -93.3 | 13.3 | -179.1 | 74.6 | -17.3 | 0 | 0 | 0 | 114.9 | L142 T147 | L142-D145 PolarHBondContact O-N 3.19Å; D145-T147 PolarHBondContact O-N 3.38Å |
| 146 | S | 59.5 | Low | 59 | Low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | | | trans | -68.7 | 74.4 | 162.2 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | Y148 | S146-Y148 PolarHBondContact O-N 3.08Å; S146-Y148 VanDerWaalsContact O-N 3.17Å |
| 147 | T | 59.7 | Low | 58.4 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | trans | -60.9 | 115.3 | 167.1 | -57.4 | 0 | 0 | 0 | 0 | 106.8 | D145 Q149 | D145-T147 PolarHBondContact O-N 3.38Å; T147-Q149 PolarHBondContact O-N 3.44Å |
| 148 | Y | 52.3 | Low | 57.8 | Low | 175 Ų | 175 | 124.6 Ų | 124.6 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | | | trans | -33.1 | 94.1 | 163.4 | -169.9 | -102.7 | 0 | 0 | 0 | 112 | S146 E151 | S146-Y148 PolarHBondContact O-N 3.08Å; S146-Y148 VanDerWaalsContact O-N 3.17Å; Y148-E151 HydrophobicContact CE1-CB 3.61Å |
| 149 | Q | 59.9 | Low | 57.1 | Low | 202 Ų | 202 | 128.3 Ų | 128.3 | 94% | 0.944 | 72% | 0.716 | S | S | * | * | | | trans | -98.8 | 87.3 | 173.9 | -166.8 | -179.4 | -8.2 | 0 | 0 | 107.1 | T147 | T147-Q149 PolarHBondContact O-N 3.44Š|
| 150 | G | 58.8 | Low | 56.2 | Low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | | | trans | -172.3 | -9.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 151 | E | 55 | Low | 55.5 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 59% | 0.593 | 75% | 0.746 | S | S | * | * | | | trans | -124.3 | 43.6 | -176.7 | -155.8 | -175 | -175.5 | 0 | 0 | 114.2 | Y148 | Y148-E151 HydrophobicContact CE1-CB 3.61Š|
| 152 | R | 58.9 | Low | 54.9 | Low | 238 Ų | 238 | 135.4 Ų | 135.4 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | trans | -125.7 | 47.1 | 170 | -81.1 | -81 | -76.5 | -96.4 | -3.2 | 112 | | |
| 153 | A | 52.1 | Low | 54.4 | Low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -127 | 12.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 154 | Y | 54.8 | Low | 53.8 | Low | 195 Ų | 195 | 138.4 Ų | 138.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -89.3 | 124.5 | 156.7 | -66.5 | -79.7 | 0 | 0 | 0 | 107.2 | | |
| 155 | Q | 53.1 | Low | 53 | Low | 164 Ų | 164 | 145.1 Ų | 145.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | 91.8 | 61.6 | 177.6 | -46 | -62.5 | 85.3 | 0 | 0 | 117 | | |
| 156 | H | 44.2 | Very low | 52.8 | Low | 184 Ų | 184 | 146.4 Ų | 146.4 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -119.4 | 74.5 | 133.2 | -69.8 | -71.3 | 0 | 0 | 0 | 108.6 | G158 | H156-G158 PolarHBondContact O-N 2.73Š|
| 157 | G | 53.3 | Low | 52.4 | Low | 83 Ų | 83 | 148.1 Ų | 148.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | -60.4 | 119.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 158 | G | 50.6 | Low | 52 | Low | 60 Ų | 60 | 149.5 Ų | 149.5 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | | | trans | 169.9 | 95.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H156 | H156-G158 PolarHBondContact O-N 2.73Š|
| 159 | V | 52.8 | Low | 52 | Low | 150 Ų | 150 | 148 Ų | 148 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | 54.5 | 86.2 | 150.2 | -89 | 0 | 0 | 0 | 0 | 118.7 | | |
| 160 | T | 47.5 | Very low | 51.5 | Low | 142 Ų | 142 | 144.6 Ų | 144.6 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | | | trans | -139.8 | 100.2 | 140.7 | 58.2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 161 | G | 53.7 | Low | 51 | Low | 74 Ų | 74 | 149.9 Ų | 149.9 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | | 80.2 | 119.7 | 63 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 162 | L | 50.4 | Low | 50.8 | Low | 173 Ų | 173 | 151.6 Ų | 151.6 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | | | trans | 86.8 | 91.4 | 177.7 | -132.2 | 69.5 | 0 | 0 | 0 | 113.9 | | |
| 163 | S | 49.3 | Very low | 50.1 | Low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | | | cis | 53.5 | 103.1 | 49.6 | -161.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 164 | Q | 46.2 | Very low | 50 | Low | 164 Ų | 164 | 149.4 Ų | 149.4 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | | | trans | 59.6 | 113.4 | 146.4 | -55.8 | -79.9 | 43.2 | 0 | 0 | 117.7 | | |
| 165 | Y | 43.9 | Very low | 49.5 | Very low | 308 Ų | 308 | 145.3 Ų | 145.3 | 100% | 1.208 | 84% | 0.835 | S | S | * | * | | | | -176 | 0 | 113.3 | -100.5 | -75 | 0 | 0 | 0 | 110.1 | | |