| 1 | M | 56 | Low | 66.6 | Low | 248 Ų | 248 | 145.5 Ų | 145.5 | 100% | 1.222 | 81% | 0.806 | S | S | * | * | | | | 0 | 135.8 | 0 | -69.7 | 170.4 | 169.9 | 0 | 0 | 106.9 | | |
| 2 | A | 52.7 | Low | 67.6 | Low | 104 Ų | 104 | 144.1 Ų | 144.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -83.8 | 127 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 3 | G | 60.2 | Low | 68.7 | Low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | -77.1 | 143.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 4 | V | 59.3 | Low | 69.4 | Low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | | | trans | -95.3 | 95.9 | 168.5 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | H6 | V4-H6 PolarHBondContact O-N 3.48Å; V4-H6 VanDerWaalsContact O-N 3.09Å |
| 5 | D | 68.7 | Low | 70.2 | Confident | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -74.3 | 101.1 | 179 | -70.9 | -26.5 | 0 | 0 | 0 | 110 | A7 | D5-A7 PolarHBondContact O-N 3.22Š|
| 6 | H | 62.6 | Low | 70.8 | Confident | 136 Ų | 136 | 136.8 Ų | 136.8 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | | | trans | -71.1 | 93.5 | 174.3 | -68.2 | -66.6 | 0 | 0 | 0 | 110.4 | V4 Y8 | V4-H6 PolarHBondContact O-N 3.48Å; V4-H6 VanDerWaalsContact O-N 3.09Å; H6-Y8 HydrophobicContact CB-CD2 4.44Å; H6-Y8 HydrophobicContact CB-CE2 3.95Å; H6-Y8 WeakPolarHBondContact O-CD2 3.37Å; H6-Y8 PolarHBondContact O-N 3.08Å |
| 7 | A | 69.3 | Low | 71.5 | Confident | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | -67 | 93.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D5 Q9 | D5-A7 PolarHBondContact O-N 3.22Å; A7-Q9 PolarHBondContact O-N 2.87Å |
| 8 | Y | 72.3 | Confident | 71.8 | Confident | 175 Ų | 175 | 141.9 Ų | 141.9 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | | | trans | -69.2 | 109 | 174.7 | -72.8 | -85.9 | 0 | 0 | 0 | 110.7 | H6 Y10 | H6-Y8 HydrophobicContact CB-CD2 4.44Å; H6-Y8 HydrophobicContact CB-CE2 3.95Å; H6-Y8 WeakPolarHBondContact O-CD2 3.37Å; H6-Y8 PolarHBondContact O-N 3.08Å; Y8-Y10 WeakPolarHBondContact O-CD2 3.42Å; Y8-Y10 PolarHBondContact O-N 3.06Å |
| 9 | Q | 75.3 | Confident | 71.9 | Confident | 198 Ų | 198 | 136.4 Ų | 136.4 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | | | trans | -88.1 | 105.2 | 177.4 | -156.6 | 172.5 | 22.4 | 0 | 0 | 109.6 | A7 | A7-Q9 PolarHBondContact O-N 2.87Š|
| 10 | Y | 76.9 | Confident | 71.8 | Confident | 194 Ų | 194 | 135.2 Ų | 135.2 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | | | trans | -90.4 | 120.8 | 177.8 | -63.8 | -83.4 | 0 | 0 | 0 | 110.7 | Y8 | Y8-Y10 WeakPolarHBondContact O-CD2 3.42Å; Y8-Y10 PolarHBondContact O-N 3.06Å |
| 11 | S | 79.2 | Confident | 71.7 | Confident | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | trans | -89.8 | 146.7 | 166.9 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 12 | V | 78.7 | Confident | 72.3 | Confident | 129 Ų | 129 | 129.5 Ų | 129.5 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | | | trans | -117.2 | 105.1 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | V14 | V12-V14 PolarHBondContact O-N 2.86Š|
| 13 | E | 81.1 | Confident | 72.9 | Confident | 148 Ų | 148 | 129.1 Ų | 129.1 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | | | trans | -77.4 | 106 | 174.9 | -72.5 | -174.1 | -165.4 | 0 | 0 | 111.1 | K15 | E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.95Å |
| 14 | V | 79.1 | Confident | 73.3 | Confident | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | | | trans | -81.5 | 78.5 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | V12 | V12-V14 PolarHBondContact O-N 2.86Š|
| 15 | K | 80.8 | Confident | 73.5 | Confident | 113 Ų | 113 | 129.1 Ų | 129.1 | 49% | 0.491 | 66% | 0.658 | S | S | . | * | | | trans | -65.4 | 138.5 | 171.7 | -73.6 | -168.3 | 168.6 | -165.7 | 0 | 110.6 | E13 D23 | E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.95Å; K15-D23 IonicContact NZ-OD2 2.69Å; K15-D23 PolarHBondContact NZ-OD2 3.5Å |
| 16 | S | 79.8 | Confident | 73.2 | Confident | 59 Ų | 59 | 126 Ų | 126 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | | | trans | -61.7 | 143.9 | 175.1 | 177 | 0 | 0 | 0 | 0 | 110.6 | F18 S19 | S16-F18 PolarHBondContact O-N 2.84Å; S16-F18 PolarHBondContact OG-N 3.4Å; S16-S19 WeakPolarHBondContact O-CB 3.49Å; S16-S19 PolarHBondContact O-N 3.23Å |
| 17 | R | 82.6 | Confident | 73.1 | Confident | 213 Ų | 213 | 125 Ų | 125 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -21.1 | 174.2 | -64.9 | -178.7 | 71.7 | 155.6 | 1.6 | 112.5 | F21 | R17-F21 WeakPolarHBondContact O-CE2 3.5Š|
| 18 | F | 77.8 | Confident | 73 | Confident | 153 Ų | 153 | 125 Ų | 125 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -25 | 174.6 | -57.6 | -69.6 | 0 | 0 | 0 | 113.7 | S16 L20 F21 | S16-F18 PolarHBondContact O-N 2.84Å; S16-F18 PolarHBondContact OG-N 3.4Å; F18-L20 PolarHBondContact O-N 3.25Å; F18-F21 HydrophobicContact CD1-CD2 4.49Å; F18-F21 PolarHBondContact O-N 3.03Å |
| 19 | S | 74.4 | Confident | 73 | Confident | 36 Ų | 36 | 119.5 Ų | 119.5 | 25% | 0.252 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -63.7 | -31.8 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | S16 F21 L22 D23 | S16-S19 WeakPolarHBondContact O-CB 3.49Å; S16-S19 PolarHBondContact O-N 3.23Å; S19-F21 PolarHBondContact O-N 3.21Å; S19-L22 PolarHBondContact O-N 2.78Å; S19-D23 PolarHBondContact O-N 2.99Å |
| 20 | L | 69.9 | Low | 73.1 | Confident | 113 Ų | 113 | 114.2 Ų | 114.2 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.9 | 173.5 | -67.8 | 170 | 0 | 0 | 0 | 113.1 | F18 D24 | F18-L20 PolarHBondContact O-N 3.25Å; L20-D24 WeakPolarHBondContact O-CB 3.48Å |
| 21 | F | 68.8 | Low | 73.2 | Confident | 121 Ų | 121 | 109 Ų | 109 | 53% | 0.531 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -91.6 | -6 | 175.3 | -52.7 | -57.2 | 0 | 0 | 0 | 113.4 | R17 F18 S19 N27 | R17-F21 WeakPolarHBondContact O-CE2 3.5Å; F18-F21 HydrophobicContact CD1-CD2 4.49Å; F18-F21 PolarHBondContact O-N 3.03Å; S19-F21 PolarHBondContact O-N 3.21Å; F21-N27 PolarHBondContact O-ND2 3.08Å |
| 22 | L | 69.5 | Low | 73.3 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -38.2 | 175.2 | -63 | 175.1 | 0 | 0 | 0 | 111.4 | S19 D24 | S19-L22 PolarHBondContact O-N 2.78Å; L22-D24 PolarHBondContact O-N 2.98Å |
| 23 | D | 65.5 | Low | 73.4 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -71.2 | -16.9 | 174 | -67.9 | -3.8 | 0 | 0 | 0 | 111.6 | K15 S19 T25 | K15-D23 IonicContact NZ-OD2 2.69Å; K15-D23 PolarHBondContact NZ-OD2 3.5Å; S19-D23 PolarHBondContact O-N 2.99Å; D23-T25 PolarHBondContact O-N 3.09Å; D23-T25 VanDerWaalsContact O-N 3.09Å |
| 24 | D | 68.6 | Low | 73.4 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 40% | 0.401 | 54% | 0.539 | S | S | . | . | | | trans | -72.5 | 100.4 | -179.6 | -129 | -7.1 | 0 | 0 | 0 | 111 | L20 L22 L26 N27 | L20-D24 WeakPolarHBondContact O-CB 3.48Å; L22-D24 PolarHBondContact O-N 2.98Å; D24-L26 PolarHBondContact O-N 2.95Å; D24-N27 PolarHBondContact O-N 3.04Å |
| 25 | T | 63.4 | Low | 73.6 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -4.8 | 177 | 54.1 | 0 | 0 | 0 | 0 | 115.9 | D23 S28 | D23-T25 PolarHBondContact O-N 3.09Å; D23-T25 VanDerWaalsContact O-N 3.09Å; T25-S28 PolarHBondContact O-OG 3.22Å |
| 26 | L | 60.7 | Low | 73.7 | Confident | 90 Ų | 90 | 98 Ų | 98 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -25 | 170.8 | -63.9 | 170.6 | 0 | 0 | 0 | 112.8 | D24 E29 | D24-L26 PolarHBondContact O-N 2.95Å; L26-E29 PolarHBondContact O-N 3.5Å |
| 27 | N | 62.4 | Low | 73.9 | Confident | 114 Ų | 114 | 99 Ų | 99 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.2 | 178.8 | -75.5 | -21.1 | 0 | 0 | 0 | 113.5 | F21 D24 | F21-N27 PolarHBondContact O-ND2 3.08Å; D24-N27 PolarHBondContact O-N 3.04Å |
| 28 | S | 67.2 | Low | 73.9 | Confident | 103 Ų | 103 | 94.5 Ų | 94.5 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.9 | 166 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | T25 | T25-S28 PolarHBondContact O-OG 3.22Š|
| 29 | E | 70.5 | Confident | 74.2 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 27% | 0.271 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -83.7 | 132.7 | 167.6 | -64.2 | -164.6 | 141.8 | 0 | 0 | 110.7 | L26 L34 K37 | L26-E29 PolarHBondContact O-N 3.5Å; E29-L34 HydrophobicContact CB-CD2 4.04Å; E29-L34 HydrophobicContact CB-CG 4.09Å; E29-L34 WeakPolarHBondContact OE2-CD2 3.33Å; E29-K37 IonicContact OE1-NZ 2.59Å; E29-K37 PolarHBondContact OE1-NZ 2.91Å; E29-K37 IonicContact OE2-NZ 2.65Å; E29-K37 PolarHBondContact OE2-NZ 3.46Å |
| 30 | D | 78.2 | Confident | 74.3 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | | | trans | -50.4 | 130.2 | 174.3 | -171.1 | -29.7 | 0 | 0 | 0 | 110.7 | D32 I33 L34 | D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.11Å; D30-D32 PolarHBondContact OD1-N 3.42Å; D30-I33 HydrophobicContact CB-CB 4.27Å; D30-I33 HydrophobicContact CB-CD1 3.83Å; D30-I33 HydrophobicContact CB-CG1 3.94Å; D30-I33 WeakPolarHBondContact O-CA 3.39Å; D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.21Å; D30-L34 PolarHBondContact O-N 3.16Å; D30-L34 VanDerWaalsContact O-N 3.08Å |
| 31 | P | 79.7 | Confident | 74.7 | Confident | 85 Ų | 85 | 96.8 Ų | 96.8 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -52.2 | -34.8 | -179.6 | 19 | -32.9 | 0 | 0 | 0 | 113.5 | I33 L34 L35 | P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.23Å; P31-L34 WeakPolarHBondContact O-CB 3.38Å; P31-L34 PolarHBondContact O-N 3.39Å; P31-L35 WeakPolarHBondContact O-CD1 3.42Å; P31-L35 PolarHBondContact O-N 3.17Å |
| 32 | D | 81 | Confident | 74.8 | Confident | 120 Ų | 120 | 100.9 Ų | 100.9 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -33.5 | 177.8 | -79.7 | -3.3 | 0 | 0 | 0 | 112.1 | D30 L35 S36 | D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.11Å; D30-D32 PolarHBondContact OD1-N 3.42Å; D32-L35 PolarHBondContact O-N 3.11Å; D32-S36 PolarHBondContact O-N 2.74Å |
| 33 | I | 81.3 | Confident | 74.4 | Confident | 79 Ų | 79 | 96 Ų | 96 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 171.6 | -64.9 | 175.9 | 0 | 0 | 0 | 109.9 | D30 P31 L35 S36 K37 | D30-I33 HydrophobicContact CB-CB 4.27Å; D30-I33 HydrophobicContact CB-CD1 3.83Å; D30-I33 HydrophobicContact CB-CG1 3.94Å; D30-I33 WeakPolarHBondContact O-CA 3.39Å; D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.21Å; P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.23Å; I33-L35 PolarHBondContact O-N 2.89Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 PolarHBondContact O-OG 3.5Å; I33-K37 HydrophobicContact CG2-CD 4.28Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.47Å |
| 34 | L | 80.3 | Confident | 74 | Confident | 53 Ų | 53 | 99 Ų | 99 | 28% | 0.277 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.9 | -67 | 173.7 | 0 | 0 | 0 | 112 | E29 D30 P31 S36 K37 L38 | E29-L34 HydrophobicContact CB-CD2 4.04Å; E29-L34 HydrophobicContact CB-CG 4.09Å; E29-L34 WeakPolarHBondContact OE2-CD2 3.33Å; D30-L34 PolarHBondContact O-N 3.16Å; D30-L34 VanDerWaalsContact O-N 3.08Å; P31-L34 WeakPolarHBondContact O-CB 3.38Å; P31-L34 PolarHBondContact O-N 3.39Å; L34-S36 PolarHBondContact O-N 2.95Å; L34-K37 PolarHBondContact O-N 3.01Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 2.92Å |
| 35 | L | 83 | Confident | 73.6 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 48% | 0.482 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 173 | -94.7 | 118.7 | 0 | 0 | 0 | 111.7 | P31 D32 I33 K37 L38 Q39 | P31-L35 WeakPolarHBondContact O-CD1 3.42Å; P31-L35 PolarHBondContact O-N 3.17Å; D32-L35 PolarHBondContact O-N 3.11Å; I33-L35 PolarHBondContact O-N 2.89Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; L35-L38 PolarHBondContact O-N 3.49Å; L35-Q39 WeakPolarHBondContact O-CG 3.13Å; L35-Q39 PolarHBondContact O-N 3.21Å |
| 36 | S | 82.9 | Confident | 73.4 | Confident | 63 Ų | 63 | 103.7 Ų | 103.7 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 178 | 81.5 | 0 | 0 | 0 | 0 | 112.7 | D32 I33 L34 Q39 S40 | D32-S36 PolarHBondContact O-N 2.74Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 PolarHBondContact O-OG 3.5Å; L34-S36 PolarHBondContact O-N 2.95Å; S36-Q39 PolarHBondContact O-N 2.99Å; S36-S40 WeakPolarHBondContact O-CB 3.32Å; S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 PolarHBondContact O-OG 3.08Å |
| 37 | K | 84.5 | Confident | 73.3 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 35% | 0.348 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -35.3 | 176 | -72.4 | 178 | -179.7 | -171.9 | 0 | 112.7 | E29 I33 L34 L35 S40 K41 | E29-K37 IonicContact OE1-NZ 2.59Å; E29-K37 PolarHBondContact OE1-NZ 2.91Å; E29-K37 IonicContact OE2-NZ 2.65Å; E29-K37 PolarHBondContact OE2-NZ 3.46Å; I33-K37 HydrophobicContact CG2-CD 4.28Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.47Å; L34-K37 PolarHBondContact O-N 3.01Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; K37-S40 WeakPolarHBondContact CA-OG 3.48Å; K37-S40 PolarHBondContact O-OG 2.65Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 WeakPolarHBondContact O-CG 3.34Å; K37-K41 PolarHBondContact O-N 2.59Å |
| 38 | L | 81.8 | Confident | 73.1 | Confident | 118 Ų | 118 | 112.3 Ų | 112.3 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.2 | -38.7 | 175.5 | -72.1 | 170.5 | 0 | 0 | 0 | 112.2 | L34 L35 R42 | L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 2.92Å; L35-L38 PolarHBondContact O-N 3.49Å; L38-R42 WeakPolarHBondContact O-CG 3.42Å; L38-R42 PolarHBondContact O-N 3.24Å; L38-R42 VanDerWaalsContact O-N 3.16Å |
| 39 | Q | 83.8 | Confident | 72.2 | Confident | 134 Ų | 134 | 114.5 Ų | 114.5 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -47.1 | 176.5 | -71.1 | -178.5 | 15.2 | 0 | 0 | 111.9 | L35 S36 K41 R42 G43 | L35-Q39 WeakPolarHBondContact O-CG 3.13Å; L35-Q39 PolarHBondContact O-N 3.21Å; S36-Q39 PolarHBondContact O-N 2.99Å; Q39-K41 PolarHBondContact O-N 3.39Å; Q39-R42 WeakPolarHBondContact O-CB 3.43Å; Q39-R42 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; Q39-G43 PolarHBondContact O-N 3.2Å |
| 40 | S | 78.2 | Confident | 71.1 | Confident | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.7 | -46.6 | 176.3 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | S36 K37 R42 G43 E44 | S36-S40 WeakPolarHBondContact O-CB 3.32Å; S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 PolarHBondContact O-OG 3.08Å; K37-S40 WeakPolarHBondContact CA-OG 3.48Å; K37-S40 PolarHBondContact O-OG 2.65Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; S40-R42 PolarHBondContact O-N 2.75Å; S40-G43 PolarHBondContact O-N 3.25Å; S40-G43 VanDerWaalsContact O-N 3.08Å; S40-E44 PolarHBondContact O-N 3.19Å |
| 41 | K | 76.6 | Confident | 69.4 | Low | 144 Ų | 144 | 123 Ų | 123 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.7 | -20.3 | 174.1 | -75.6 | -178.7 | 176.5 | 179.3 | 0 | 114.6 | K37 Q39 | K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 WeakPolarHBondContact O-CG 3.34Å; K37-K41 PolarHBondContact O-N 2.59Å; Q39-K41 PolarHBondContact O-N 3.39Å |
| 42 | R | 71 | Confident | 67.4 | Low | 206 Ų | 206 | 127.7 Ų | 127.7 | 78% | 0.777 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.9 | -38.6 | 169.4 | -80.3 | -178.3 | 170.9 | -178.8 | -1.5 | 112.2 | L38 Q39 S40 E44 | L38-R42 WeakPolarHBondContact O-CG 3.42Å; L38-R42 PolarHBondContact O-N 3.24Å; L38-R42 VanDerWaalsContact O-N 3.16Å; Q39-R42 WeakPolarHBondContact O-CB 3.43Å; Q39-R42 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; S40-R42 PolarHBondContact O-N 2.75Å; R42-E44 VanDerWaalsContact C-N 3.35Å; R42-E44 PolarHBondContact O-N 2.6Å |
| 43 | G | 61.6 | Low | 65.5 | Low | 41 Ų | 41 | 129.6 Ų | 129.6 | 42% | 0.423 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.2 | -29.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q39 S40 T46 | Q39-G43 PolarHBondContact O-N 3.2Å; S40-G43 PolarHBondContact O-N 3.25Å; S40-G43 VanDerWaalsContact O-N 3.08Å; G43-T46 PolarHBondContact O-OG1 3.28Å |
| 44 | E | 58.3 | Low | 63.5 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -76 | -29.5 | -178.3 | -162.5 | 170.6 | -141.4 | 0 | 0 | 113.3 | S40 R42 T46 | S40-E44 PolarHBondContact O-N 3.19Å; R42-E44 VanDerWaalsContact C-N 3.35Å; R42-E44 PolarHBondContact O-N 2.6Å; E44-T46 VanDerWaalsContact C-N 3.35Å; E44-T46 PolarHBondContact O-N 3.22Å |
| 45 | K | 59.7 | Low | 61.5 | Low | 167 Ų | 167 | 141.2 Ų | 141.2 | 73% | 0.726 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -79.1 | -8.1 | -176.5 | -71.8 | -172.1 | 175.1 | -170.3 | 0 | 115.2 | | |
| 46 | T | 58.5 | Low | 59.2 | Low | 112 Ų | 112 | 145.7 Ų | 145.7 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -104.3 | 7.4 | -170.6 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | G43 E44 | G43-T46 PolarHBondContact O-OG1 3.28Å; E44-T46 VanDerWaalsContact C-N 3.35Å; E44-T46 PolarHBondContact O-N 3.22Å |
| 47 | K | 59.5 | Low | 57.1 | Low | 194 Ų | 194 | 151.7 Ų | 151.7 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -115.5 | 5.4 | -176.1 | -70.6 | -171.7 | 177.7 | 179.4 | 0 | 116.1 | | |
| 48 | K | 56.6 | Low | 55.2 | Low | 191 Ų | 191 | 154.4 Ų | 154.4 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -113.3 | -19.8 | -177.7 | -141.6 | 171.5 | -174.1 | 177.4 | 0 | 115.5 | K50 | K48-K50 PolarHBondContact O-N 2.89Š|
| 49 | D | 48.2 | Very low | 53.3 | Low | 149 Ų | 149 | 153.2 Ų | 153.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -90.6 | 84.9 | -177.8 | -61.2 | -27.1 | 0 | 0 | 0 | 111.6 | | |
| 50 | K | 48.3 | Very low | 51.5 | Low | 195 Ų | 195 | 152.6 Ų | 152.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -80.9 | 130.6 | 164.7 | -102.6 | -179.8 | 175.5 | 178 | 0 | 109.2 | K48 H52 | K48-K50 PolarHBondContact O-N 2.89Å; K50-H52 PolarHBondContact O-N 3.18Å |
| 51 | P | 42.9 | Very low | 49.8 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -72.6 | 114.2 | -172.3 | 28.1 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 52 | H | 38.3 | Very low | 48.4 | Very low | 183 Ų | 183 | 157.6 Ų | 157.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -111.8 | 68.2 | 172.5 | -175.7 | 71.7 | 0 | 0 | 0 | 110.2 | K50 | K50-H52 PolarHBondContact O-N 3.18Š|
| 53 | L | 39.2 | Very low | 47.1 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -163.6 | 72.3 | 176.5 | -118.8 | 165 | 0 | 0 | 0 | 113.3 | | |
| 54 | Q | 41 | Very low | 46.3 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -172.5 | 158 | 153.5 | -108.8 | 160.3 | 64.9 | 0 | 0 | 111.2 | | |
| 55 | Q | 37.5 | Very low | 45.7 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | 66.8 | 75.6 | 174.7 | -57.5 | -176.1 | 4.9 | 0 | 0 | 117.8 | | |
| 56 | Q | 34.8 | Very low | 45 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -139.3 | 98.2 | 144.4 | -88.2 | -163.6 | -15 | 0 | 0 | 110.7 | | |
| 57 | H | 39.6 | Very low | 44.3 | Very low | 190 Ų | 190 | 153.7 Ų | 153.7 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -162.8 | 162.7 | 158.8 | -91.8 | -62.5 | 0 | 0 | 0 | 109.4 | | |
| 58 | V | 43.6 | Very low | 43.9 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | 75.4 | 75.7 | 176.4 | -162.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 59 | A | 42.4 | Very low | 43.5 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | | 57.8 | 151.8 | 121.1 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 60 | P | 45.7 | Very low | 43.5 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -121.8 | 174.2 | -157.2 | 42.7 | -29.6 | 0 | 0 | 0 | 115.9 | | |
| 61 | T | 41.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -154.9 | 128.4 | 155.4 | 16.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 62 | K | 47.2 | Very low | 43.6 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | 66.1 | 144.9 | 151.2 | -58.9 | 169.5 | -174.7 | 178.4 | 0 | 118.3 | | |
| 63 | A | 45.1 | Very low | 44.1 | Very low | 77 Ų | 77 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | -162.4 | 154.1 | -17.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 64 | D | 45.2 | Very low | 44.4 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | 40.3 | 132.7 | 151.6 | -43.9 | -30.5 | 0 | 0 | 0 | 120.6 | | |
| 65 | T | 44.1 | Very low | 44.4 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | | -159.2 | 148.8 | 56.7 | 35.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 66 | I | 46 | Very low | 44.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | 47.7 | 103.4 | 141 | -54 | 163.5 | 0 | 0 | 0 | 117.5 | | |
| 67 | T | 42.7 | Very low | 45.2 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | cis | 88.3 | 119.9 | 41.7 | 75.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 68 | K | 51.8 | Low | 45.7 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | | | trans | 135.9 | 105.9 | 155 | -76.3 | 163.2 | -175.5 | -179.6 | 0 | 110.6 | | |
| 69 | S | 48.5 | Very low | 45.8 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | | 58.2 | 124.9 | 75.4 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 70 | E | 47.3 | Very low | 45.8 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | | -152.9 | 136.9 | 53.3 | -141.3 | 154.6 | 163.5 | 0 | 0 | 109 | | |
| 71 | V | 45.9 | Very low | 45.7 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | | 58.7 | 126.2 | 77.4 | 149.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 72 | K | 48.2 | Very low | 46 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | cis | -159.5 | 168.9 | 14.5 | -120.2 | 169.6 | -162.3 | 169.4 | 0 | 112.1 | | |
| 73 | L | 48.9 | Very low | 45.8 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | trans | 15.7 | 152.8 | 136.7 | -60.4 | 171.8 | 0 | 0 | 0 | 120.7 | | |
| 74 | D | 45 | Very low | 45.8 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | | | cis | -157.8 | 164.4 | 16.6 | -134.7 | -40.1 | 0 | 0 | 0 | 116.1 | | |
| 75 | T | 40.9 | Very low | 45.9 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -13 | 128.9 | 157.4 | -56.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 76 | A | 43.4 | Very low | 46 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | -175.6 | 144.6 | 125 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 77 | T | 46.9 | Very low | 45.8 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -122 | -177.3 | 167.8 | 61.7 | 0 | 0 | 0 | 0 | 108 | | |
| 78 | P | 49 | Very low | 46.3 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | cis | -149.5 | -163.9 | 10.3 | 44.7 | -22.9 | 0 | 0 | 0 | 117.6 | | |
| 79 | K | 46.3 | Very low | 46 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 80.7 | 104.9 | 146.5 | -81.5 | 178.6 | 179.7 | 176.7 | 0 | 123.1 | | |
| 80 | A | 42.9 | Very low | 45.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | | 83.7 | 138.4 | 108.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 81 | G | 43 | Very low | 46.2 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 104.4 | 148.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 82 | S | 46.8 | Very low | 46.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -166.7 | 140.8 | -10.2 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 83 | R | 44.2 | Very low | 46.6 | Very low | 227 Ų | 227 | 131.6 Ų | 131.6 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | | | trans | 42.9 | 115.1 | 152.2 | -68.1 | 175.7 | 178.6 | 179.2 | -1.1 | 120.2 | | |
| 84 | V | 44.6 | Very low | 47.2 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | | 84.9 | 110.6 | 72.9 | 166.3 | 0 | 0 | 0 | 0 | 116 | | |
| 85 | S | 48.5 | Very low | 48 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | 163.1 | 154 | 151.1 | 42 | 0 | 0 | 0 | 0 | 109.3 | | |
| 86 | K | 46.3 | Very low | 48.8 | Very low | 204 Ų | 204 | 130.9 Ų | 130.9 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | cis | -155 | 165.5 | -15.5 | -103.9 | 169.3 | -178.3 | 179.5 | 0 | 107.8 | | |
| 87 | T | 41.3 | Very low | 49.8 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | -108.3 | -168.2 | -178.3 | 58.1 | 0 | 0 | 0 | 0 | 111 | | |
| 88 | P | 53.4 | Low | 50.5 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | cis | -138.2 | -159.2 | -5.7 | 41 | -19.6 | 0 | 0 | 0 | 115.5 | | |
| 89 | N | 44 | Very low | 50.9 | Low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 79.5 | 145.7 | 161.7 | -66.8 | 3.6 | 0 | 0 | 0 | 119.9 | | |
| 90 | S | 47.1 | Very low | 50.9 | Low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | cis | -167.5 | 176.7 | -16.4 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 91 | T | 54.3 | Low | 51.2 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | 90.1 | 81.4 | 151.9 | -41.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 92 | E | 47.7 | Very low | 51.3 | Low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | 55.3 | 164.4 | 111.1 | -101.9 | -161.6 | 117.1 | 0 | 0 | 124.8 | | |
| 93 | P | 54 | Low | 51.3 | Low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | | -130.2 | -137.4 | -103.4 | 49.3 | -29.7 | 0 | 0 | 0 | 115.6 | | |
| 94 | P | 61.1 | Low | 51.5 | Low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | trans | -126.7 | 176.8 | -134.7 | 40.5 | -18.9 | 0 | 0 | 0 | 118 | | |
| 95 | P | 62.4 | Low | 51.7 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -128.1 | 165.9 | 163.5 | 39.1 | -26.2 | 0 | 0 | 0 | 115.7 | | |
| 96 | V | 56.8 | Low | 51.8 | Low | 138 Ų | 138 | 132.1 Ų | 132.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | -146.4 | -177.9 | 179 | -153.1 | 0 | 0 | 0 | 0 | 109 | | |
| 97 | P | 65.7 | Low | 52.2 | Low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | | -92.4 | -172.8 | -99.1 | 42.2 | -28.4 | 0 | 0 | 0 | 115.7 | | |
| 98 | P | 61.8 | Low | 52.4 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | | -128.7 | 145 | 125.9 | 8.2 | 13.9 | 0 | 0 | 0 | 111.4 | | |
| 99 | E | 56.2 | Low | 52.6 | Low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | | 89.1 | 128.6 | 61.2 | -75.2 | -170.8 | 156.1 | 0 | 0 | 116.1 | | |
| 100 | D | 47.7 | Very low | 52.8 | Low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 53.3 | 138 | 157.8 | -69 | 1 | 0 | 0 | 0 | 125.2 | | |
| 101 | V | 48.9 | Very low | 52.8 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | | | | 171.3 | 118.7 | 114.3 | 153.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 102 | Q | 44.4 | Very low | 53 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 51.6 | 117.4 | 146 | -57.1 | 170.5 | 38.1 | 0 | 0 | 120.8 | | |
| 103 | I | 48 | Very low | 52.7 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | | 81.8 | 113.3 | 63.2 | -64.7 | 162.8 | 0 | 0 | 0 | 115.6 | | |
| 104 | T | 48 | Very low | 52.3 | Low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | | 165.5 | 135.5 | 127.9 | 34.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 105 | S | 48.4 | Very low | 51.5 | Low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 65.1 | 151.1 | 145.1 | 73.1 | 0 | 0 | 0 | 0 | 121 | | |
| 106 | A | 49.8 | Very low | 50.4 | Low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | cis | -163 | 173.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 107 | K | 54.5 | Low | 50.1 | Low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | | | trans | 69.3 | 129.8 | 175.8 | -66.9 | 178.9 | 173.2 | 177 | 0 | 116.7 | | |
| 108 | G | 46.1 | Very low | 49.1 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | cis | 104.3 | 98.2 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 109 | T | 57.4 | Low | 48.2 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -156.6 | 132.8 | 160.2 | -44.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 110 | D | 49.2 | Very low | 47.8 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -117.8 | 147.1 | -167.7 | -49.9 | -69.2 | 0 | 0 | 0 | 114.3 | | |
| 111 | E | 47.1 | Very low | 47.6 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | 58.3 | -179.6 | 145.7 | -74.9 | -157.8 | 177.6 | 0 | 0 | 120.2 | | |
| 112 | P | 57.2 | Low | 47.7 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 62% | 0.617 | 79% | 0.794 | S | S | * | * | | | | -132.1 | 174.7 | -58.6 | 38.7 | -25 | 0 | 0 | 0 | 114.9 | | |
| 113 | I | 41.6 | Very low | 47.9 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | 32.3 | 117.5 | 148.7 | -56.3 | 158.7 | 0 | 0 | 0 | 118.8 | | |
| 114 | S | 45.3 | Very low | 48.1 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -150.9 | 167.1 | 150 | -162 | 0 | 0 | 0 | 0 | 112.8 | | |
| 115 | T | 44.4 | Very low | 48.2 | Very low | 96 Ų | 96 | 138 Ų | 138 | 59% | 0.589 | 80% | 0.8 | S | S | * | * | | | trans | -120.4 | 179.9 | -163 | 44.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 116 | F | 40.5 | Very low | 48.4 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | 73.6 | 154.3 | -179.4 | -43.5 | -75.2 | 0 | 0 | 0 | 113.6 | | |
| 117 | V | 50 | Low | 48.4 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | cis | -135.6 | 144.6 | 23.3 | 172 | 0 | 0 | 0 | 0 | 112.8 | G119 | V117-G119 PolarHBondContact O-N 3.05Š|
| 118 | R | 43.9 | Very low | 48.2 | Very low | 237 Ų | 237 | 142.1 Ų | 142.1 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | | | trans | -74.1 | 96.7 | 167.6 | 174.7 | -170.4 | -88.8 | -177.8 | -7.1 | 110.8 | R120 | R118-R120 PolarHBondContact O-N 3.49Š|
| 119 | G | 44.5 | Very low | 48.3 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -82.8 | 107.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V117 | V117-G119 PolarHBondContact O-N 3.05Š|
| 120 | R | 46.1 | Very low | 48.1 | Very low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -107.4 | 105.7 | 178.4 | -152.3 | -170.7 | -162.8 | -160.4 | 6.7 | 111.9 | R118 | R118-R120 PolarHBondContact O-N 3.49Š|
| 121 | G | 45.2 | Very low | 48 | Very low | 70 Ų | 70 | 149.5 Ų | 149.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | 81.7 | 149.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 122 | S | 49.8 | Very low | 48.1 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | 167.7 | 118.1 | 148 | -80.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 123 | G | 48.8 | Very low | 47.6 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -152.4 | -10.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 124 | R | 51.2 | Low | 48 | Very low | 252 Ų | 252 | 149 Ų | 149 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | 64.9 | 142 | -176.4 | -51.9 | 170.5 | 176.7 | 173.7 | -2.3 | 112.3 | | |
| 125 | G | 50.3 | Low | 48.1 | Very low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | cis | 101.3 | 125.2 | 30.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 126 | T | 53.6 | Low | 48.4 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | | | cis | -152.3 | 168.7 | 16.1 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 127 | P | 49.9 | Very low | 48.5 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | | | trans | -100.8 | 157.3 | -178.7 | 38.1 | -34.3 | 0 | 0 | 0 | 114.2 | | |
| 128 | R | 50.8 | Low | 48.6 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | | | trans | 165.2 | 140.1 | 145.2 | -94.5 | 153.1 | -179.7 | 179.2 | -0.1 | 113.6 | | |
| 129 | G | 48.4 | Very low | 48.5 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 71.9 | 153.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 130 | M | 51.5 | Low | 48.7 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | | | cis | -129.7 | 150.7 | 9.5 | -79.9 | -68.8 | -168.3 | 0 | 0 | 112.2 | V132 | M130-V132 HydrophobicContact CB-CG2 4.5Š|
| 131 | R | 47.1 | Very low | 48.9 | Very low | 251 Ų | 251 | 142.7 Ų | 142.7 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | | | trans | -113.7 | 83.1 | 176.6 | -167.4 | -170.9 | -160.4 | -164.6 | 8.2 | 110.1 | | |
| 132 | V | 50.6 | Low | 49.3 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | | | trans | -142.3 | 126.7 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | M130 | M130-V132 HydrophobicContact CB-CG2 4.5Š|
| 133 | G | 45.9 | Very low | 49.5 | Very low | 54 Ų | 54 | 145.9 Ų | 145.9 | 56% | 0.557 | 82% | 0.816 | S | S | * | * | | | cis | 110.8 | 124.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 134 | R | 50.1 | Low | 49.5 | Very low | 257 Ų | 257 | 151.3 Ų | 151.3 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | | | trans | 78.2 | 144.4 | -168.6 | -46.4 | 157.7 | -168.1 | -119.3 | 3 | 112.6 | | |
| 135 | G | 48.4 | Very low | 49.5 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | cis | -111.2 | 169.7 | -19.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 136 | Q | 50.7 | Low | 49.6 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 98% | 0.977 | 82% | 0.818 | S | S | * | * | | | cis | 60.1 | 107.5 | 33.6 | -69.9 | -147.1 | -5.8 | 0 | 0 | 115 | | |
| 137 | G | 42.1 | Very low | 49.4 | Very low | 76 Ų | 76 | 148.9 Ų | 148.9 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | | | trans | -175.4 | 107.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 138 | P | 50.9 | Low | 49.2 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | trans | -116.7 | 150.8 | -162.2 | 39.3 | -31.7 | 0 | 0 | 0 | 116.6 | | |
| 139 | R | 42.8 | Very low | 49.2 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | 68.3 | 152.2 | 163.3 | -62.2 | 171.4 | -179.5 | 175.7 | -0.7 | 113.7 | | |
| 140 | I | 49 | Very low | 49.2 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | | | | -137.4 | 167 | 64.6 | -78.2 | 158.9 | 0 | 0 | 0 | 112.2 | | |
| 141 | A | 50.5 | Low | 48.9 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | | | trans | -83.4 | 166.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 142 | P | 52.5 | Low | 48.8 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -76 | 158.3 | 169.5 | 33.5 | -36.8 | 0 | 0 | 0 | 112.4 | | |
| 143 | T | 55.2 | Low | 48.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -132.2 | 134.9 | 174.6 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 144 | E | 48.4 | Very low | 48.9 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -83.9 | 157.7 | -179.6 | -60.2 | 166.7 | 116.8 | 0 | 0 | 112.6 | | |
| 145 | A | 52 | Low | 49 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -150.2 | 106.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 146 | P | 50.5 | Low | 48.8 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -92.4 | 160.1 | 179.4 | 36.3 | -34.5 | 0 | 0 | 0 | 112.1 | | |
| 147 | Q | 50.9 | Low | 48.8 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | -162.3 | 131.5 | 144.1 | -115.8 | 165.9 | 16.9 | 0 | 0 | 112.3 | | |
| 148 | D | 45.6 | Very low | 48.9 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | | | trans | -84.9 | 154.8 | -178.5 | -49.4 | -92.9 | 0 | 0 | 0 | 112.8 | | |
| 149 | S | 50 | Low | 48.7 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | | | trans | -156.9 | 103 | 156.3 | -67.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 150 | V | 49.1 | Very low | 49.1 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | | | trans | -69.4 | 177.4 | 175.7 | -71.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 151 | S | 45.9 | Very low | 49 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | 95 | 104.4 | 172.7 | -34.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 152 | D | 43.3 | Very low | 48.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | | 49.4 | 117.3 | 61.7 | -72.4 | -40.1 | 0 | 0 | 0 | 114.7 | | |
| 153 | L | 50.8 | Low | 48.8 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | | | | -179.4 | 144.6 | 119.4 | -96.3 | 164 | 0 | 0 | 0 | 114.2 | | |
| 154 | N | 49.1 | Very low | 48.5 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | trans | -53.3 | 137.7 | -178.6 | -63.5 | -76.5 | 0 | 0 | 0 | 117.2 | | |
| 155 | A | 51.3 | Low | 48.5 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -162.9 | 116.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 156 | P | 45.1 | Very low | 48.4 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | | | trans | -107.5 | 116.6 | 170.4 | 34.7 | -26.9 | 0 | 0 | 0 | 113.2 | | |
| 157 | R | 49.1 | Very low | 48.3 | Very low | 263 Ų | 263 | 147 Ų | 147 | 99% | 0.992 | 83% | 0.831 | S | S | * | * | | | trans | 176.7 | 146 | 164 | -86.4 | 132 | -173.6 | -173.6 | 3.7 | 106.3 | | |
| 158 | G | 45.1 | Very low | 48.1 | Very low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 83% | 0.833 | S | S | * | * | | | cis | -178.9 | 154.9 | -8.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 159 | S | 47.3 | Very low | 48.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | | | trans | 28.3 | 102.4 | 163.5 | 58.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 160 | S | 50 | Low | 48.2 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | | | trans | -159 | 166.4 | 133.8 | -143.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 161 | F | 47.9 | Very low | 48.1 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | | | trans | -64.5 | 150.5 | -157.3 | -93.3 | -117 | 0 | 0 | 0 | 119.4 | | |
| 162 | E | 46.6 | Very low | 48.1 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 74% | 0.738 | 84% | 0.843 | S | S | * | * | | | trans | 51.9 | 139.1 | 152.3 | -73.5 | -163 | 145.2 | 0 | 0 | 123.9 | | |
| 163 | P | 51.3 | Low | 48.4 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | | | trans | -99.7 | 134.3 | 173 | 37.2 | -30.3 | 0 | 0 | 0 | 113.6 | | |
| 164 | R | 49.3 | Very low | 48.2 | Very low | 229 Ų | 229 | 153 Ų | 153 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | | | trans | -131.8 | 159 | 152.6 | -88.5 | -172.2 | 166.9 | 84 | -2.8 | 111.2 | | |
| 165 | G | 48.8 | Very low | 47.7 | Very low | 81 Ų | 81 | 156 Ų | 156 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | | | trans | -60.9 | 137.1 | -156.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 166 | R | 49.6 | Very low | 47.6 | Very low | 259 Ų | 259 | 154.6 Ų | 154.6 | 98% | 0.977 | 84% | 0.838 | S | S | * | * | | | trans | -79.1 | 131.1 | 167 | -63.1 | 172.8 | 175.7 | 173.2 | -3.1 | 109.4 | | |
| 167 | G | 48.3 | Very low | 47.4 | Very low | 78 Ų | 78 | 161.6 Ų | 161.6 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | | | trans | -162.3 | 49.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 168 | R | 47.4 | Very low | 47.3 | Very low | 254 Ų | 254 | 152.4 Ų | 152.4 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | | | trans | -82.4 | 118.8 | -178 | -73.5 | -179.7 | 171.5 | 179.5 | -3.3 | 113.1 | | |
| 169 | G | 48.6 | Very low | 47.3 | Very low | 69 Ų | 69 | 161.9 Ų | 161.9 | 71% | 0.711 | 85% | 0.852 | S | S | * | * | | | trans | -169.6 | 104.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 170 | R | 48.9 | Very low | 47.2 | Very low | 255 Ų | 255 | 159.3 Ų | 159.3 | 96% | 0.962 | 85% | 0.846 | S | S | * | * | | | | 77.3 | 112.2 | 63.3 | -72.8 | -173.8 | 166.8 | -173.4 | -2.7 | 113.7 | | |
| 171 | G | 47.6 | Very low | 47.1 | Very low | 74 Ų | 74 | 162.1 Ų | 162.1 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | | | trans | 122.6 | 95.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 172 | R | 45.8 | Very low | 47.1 | Very low | 259 Ų | 259 | 157.5 Ų | 157.5 | 98% | 0.977 | 84% | 0.837 | S | S | * | * | | | cis | 55.2 | 105.4 | 45.6 | -76.9 | -167 | 176.9 | -165.3 | -0.2 | 113.6 | | |
| 173 | G | 47.9 | Very low | 47.1 | Very low | 70 Ų | 70 | 158.3 Ų | 158.3 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | | | trans | 165.6 | 92.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 174 | M | 47.3 | Very low | 46.9 | Very low | 172 Ų | 172 | 159.6 Ų | 159.6 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | | | trans | 35.4 | 121.7 | 151.1 | -42.7 | -46.4 | 175.1 | 0 | 0 | 119.7 | | |
| 175 | F | 39.6 | Very low | 47 | Very low | 216 Ų | 216 | 153.1 Ų | 153.1 | 95% | 0.947 | 83% | 0.828 | S | S | * | * | | | | 50.8 | 98.2 | 61 | -71.6 | -77.1 | 0 | 0 | 0 | 116.1 | | |
| 176 | G | 48.3 | Very low | 47.4 | Very low | 70 Ų | 70 | 155.5 Ų | 155.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | 170.8 | 89 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 177 | R | 41.6 | Very low | 48.2 | Very low | 260 Ų | 260 | 154 Ų | 154 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | | | | 54.7 | 116.5 | 85.7 | -67.8 | -166.1 | -174 | -111.1 | 5.8 | 114.3 | | |
| 178 | G | 47.5 | Very low | 48.7 | Very low | 70 Ų | 70 | 155.8 Ų | 155.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 126 | 90.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 179 | R | 44.3 | Very low | 49.3 | Very low | 264 Ų | 264 | 151.3 Ų | 151.3 | 100% | 0.996 | 80% | 0.795 | S | S | * | * | | | | 39.9 | 98.3 | 62 | -73.4 | -168.6 | 178.9 | -170.2 | 0.7 | 111.6 | | |
| 180 | G | 45.1 | Very low | 49.8 | Very low | 73 Ų | 73 | 156.4 Ų | 156.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | 177.1 | 32.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 181 | M | 48.5 | Very low | 50.5 | Low | 182 Ų | 182 | 152.3 Ų | 152.3 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | 62.6 | -170.8 | 154.6 | -61.2 | -65.2 | -155.9 | 0 | 0 | 115.3 | | |
| 182 | P | 47.3 | Very low | 51 | Low | 95 Ų | 95 | 155.4 Ų | 155.4 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | | -137.7 | -173.6 | -110 | 34.8 | -9.1 | 0 | 0 | 0 | 116.1 | | |
| 183 | F | 46.6 | Very low | 51.5 | Low | 174 Ų | 174 | 150.3 Ų | 150.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | 53.3 | 112 | 162.3 | -59.4 | -64.2 | 0 | 0 | 0 | 120.2 | | |
| 184 | N | 47.2 | Very low | 51.6 | Low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | | 47.6 | 116 | 127.8 | -49.9 | -1.5 | 0 | 0 | 0 | 119.9 | | |
| 185 | S | 50.5 | Low | 51.9 | Low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | | | trans | -176.2 | -32.1 | 144.3 | 27.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 186 | N | 58 | Low | 52.8 | Low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | -113.5 | 20.8 | -156.6 | -76.6 | 1.4 | 0 | 0 | 0 | 117.6 | | |
| 187 | R | 65.6 | Low | 53.1 | Low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -89.1 | -3.4 | 178.7 | -141.2 | 171.2 | -164 | 156.7 | 6.6 | 114.6 | F189 | R187-F189 PolarHBondContact O-N 2.77Š|
| 188 | D | 59.4 | Low | 53.4 | Low | 116 Ų | 116 | 147.9 Ų | 147.9 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 8.9 | -174.1 | -56.8 | -70.3 | 0 | 0 | 0 | 115.2 | Q192 | D188-Q192 WeakPolarHBondContact O-CG 3.11Å; D188-Q192 PolarHBondContact O-NE2 3.13Å |
| 189 | F | 61 | Low | 53.4 | Low | 161 Ų | 161 | 147.8 Ų | 147.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -20.4 | -172.2 | -79.6 | -79.4 | 0 | 0 | 0 | 116.2 | R187 | R187-F189 PolarHBondContact O-N 2.77Š|
| 190 | E | 58.3 | Low | 53.5 | Low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11.7 | -164.9 | -157.2 | 155.9 | -145.9 | 0 | 0 | 114.9 | | |
| 191 | N | 62.7 | Low | 53.7 | Low | 169 Ų | 169 | 148.6 Ų | 148.6 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 19.2 | 169.2 | -74.3 | -13.5 | 0 | 0 | 0 | 112.6 | D193 | N191-D193 PolarHBondContact O-N 3.37Š|
| 192 | Q | 58.3 | Low | 53.8 | Low | 138 Ų | 138 | 148.1 Ų | 148.1 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | -85.3 | 102.3 | 178.1 | -65.2 | -71.2 | -11.5 | 0 | 0 | 110.4 | D188 G194 | D188-Q192 WeakPolarHBondContact O-CG 3.11Å; D188-Q192 PolarHBondContact O-NE2 3.13Å; Q192-G194 PolarHBondContact O-N 2.83Å |
| 193 | D | 57.7 | Low | 53.6 | Low | 152 Ų | 152 | 155.4 Ų | 155.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 81.5 | 164.3 | -103.1 | -49 | 0 | 0 | 0 | 109.5 | N191 | N191-D193 PolarHBondContact O-N 3.37Š|
| 194 | G | 49 | Very low | 53.6 | Low | 46 Ų | 46 | 150.3 Ų | 150.3 | 47% | 0.474 | 77% | 0.773 | S | S | . | * | | | trans | -62.5 | 133.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q192 D196 | Q192-G194 PolarHBondContact O-N 2.83Å; G194-D196 PolarHBondContact O-N 3.25Å |
| 195 | P | 53.6 | Low | 53.7 | Low | 136 Ų | 136 | 155 Ų | 155 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -77.9 | 30.9 | -165.3 | 32.5 | -38.3 | 0 | 0 | 0 | 115.9 | | |
| 196 | D | 58.4 | Low | 54 | Low | 153 Ų | 153 | 161.4 Ų | 161.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -94.5 | 9.3 | -177 | -85.9 | -39.8 | 0 | 0 | 0 | 114.5 | G194 Q198 | G194-D196 PolarHBondContact O-N 3.25Å; D196-Q198 PolarHBondContact O-N 3.45Å |
| 197 | R | 54.2 | Low | 53.6 | Low | 224 Ų | 224 | 162.8 Ų | 162.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -79 | 67.3 | 178.4 | -76.8 | -169.3 | 175.9 | 161.6 | 4.8 | 114.5 | | |
| 198 | Q | 49.4 | Very low | 52.8 | Low | 179 Ų | 179 | 154.1 Ų | 154.1 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 58.2 | 76.9 | 132.4 | -59.5 | 177.2 | 14.5 | 0 | 0 | 119.5 | D196 | D196-Q198 PolarHBondContact O-N 3.45Š|
| 199 | G | 46.4 | Very low | 52.2 | Low | 67 Ų | 67 | 154.4 Ų | 154.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 73.8 | 165.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | R201 | G199-R201 PolarHBondContact O-N 2.99Å; G199-R201 VanDerWaalsContact O-N 3.08Å |
| 200 | P | 45.8 | Very low | 51.6 | Low | 138 Ų | 138 | 158.2 Ų | 158.2 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -80.9 | 94.8 | -170.2 | 31.6 | -35.1 | 0 | 0 | 0 | 112.3 | | |
| 201 | R | 50.3 | Low | 51.1 | Low | 217 Ų | 217 | 155.3 Ų | 155.3 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | | | trans | -133.9 | 113.4 | 166.5 | -79.8 | -164.8 | 169.7 | -137.6 | -3 | 114.2 | G199 | G199-R201 PolarHBondContact O-N 2.99Å; G199-R201 VanDerWaalsContact O-N 3.08Å |
| 202 | Q | 50.4 | Low | 50.4 | Low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 70.3 | 107.9 | 149.1 | -61.5 | 179.8 | -18.5 | 0 | 0 | 117.7 | G204 | Q202-G204 PolarHBondContact O-N 3.4Š|
| 203 | Y | 43.7 | Very low | 49.9 | Very low | 248 Ų | 248 | 154.1 Ų | 154.1 | 97% | 0.973 | 78% | 0.78 | S | S | * | * | | | trans | -57.8 | 103.6 | 160.9 | -64.6 | -92.6 | 0 | 0 | 0 | 110.7 | | |
| 204 | G | 46.9 | Very low | 49.5 | Very low | 67 Ų | 67 | 153.7 Ų | 153.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -104.5 | 111.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q202 R206 | Q202-G204 PolarHBondContact O-N 3.4Å; G204-R206 PolarHBondContact O-N 3.19Å |
| 205 | R | 48.5 | Very low | 49.5 | Very low | 244 Ų | 244 | 158.4 Ų | 158.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -60 | 104.1 | 179.3 | -69.9 | -179 | 179.9 | -90.3 | 5.5 | 110.3 | | |
| 206 | R | 55.6 | Low | 49 | Very low | 229 Ų | 229 | 159.6 Ų | 159.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -149.7 | 50.7 | 168 | -145 | 175.3 | -155.2 | -168.6 | 4.7 | 113.4 | G204 G208 | G204-R206 PolarHBondContact O-N 3.19Å; R206-G208 PolarHBondContact O-N 2.89Å |
| 207 | D | 49.6 | Very low | 48.3 | Very low | 160 Ų | 160 | 155.7 Ų | 155.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -65.5 | 69.5 | 153.7 | -49.4 | -67.7 | 0 | 0 | 0 | 108.1 | N209 | D207-N209 PolarHBondContact O-N 3.46Š|
| 208 | G | 49.2 | Very low | 47.9 | Very low | 45 Ų | 45 | 152 Ų | 152 | 46% | 0.464 | 79% | 0.788 | S | S | . | * | | | trans | -76 | 88.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R206 W210 | R206-G208 PolarHBondContact O-N 2.89Å; G208-W210 VanDerWaalsContact O-CD1 3.24Å; G208-W210 PolarHBondContact O-N 2.78Å |
| 209 | N | 47.1 | Very low | 47.6 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | | | trans | -44.6 | 119.1 | 172.8 | -175.9 | 19.8 | 0 | 0 | 0 | 110.2 | D207 N211 | D207-N209 PolarHBondContact O-N 3.46Å; N209-N211 VanDerWaalsContact C-N 3.28Å; N209-N211 PolarHBondContact O-N 2.9Å; N209-N211 PolarHBondContact OD1-N 2.75Å |
| 210 | W | 49.6 | Very low | 47.4 | Very low | 241 Ų | 241 | 155.1 Ų | 155.1 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | | | trans | -89.5 | 10.3 | -176.9 | -96.2 | 91.4 | 0 | 0 | 0 | 113.5 | G208 S212 | G208-W210 VanDerWaalsContact O-CD1 3.24Å; G208-W210 PolarHBondContact O-N 2.78Å; W210-S212 PolarHBondContact O-N 3.27Å |
| 211 | N | 46.3 | Very low | 47.7 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 122.6 | 166.1 | -69.3 | 7.8 | 0 | 0 | 0 | 109.4 | N209 | N209-N211 VanDerWaalsContact C-N 3.28Å; N209-N211 PolarHBondContact O-N 2.9Å; N209-N211 PolarHBondContact OD1-N 2.75Å |
| 212 | S | 48.6 | Very low | 47.8 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -85.3 | 141.7 | 162.1 | -60.9 | 0 | 0 | 0 | 0 | 107.8 | W210 | W210-S212 PolarHBondContact O-N 3.27Š|
| 213 | Q | 47.8 | Very low | 47.6 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 81.5 | 166.1 | -163 | -53.8 | 161 | -32.2 | 0 | 0 | 112.3 | | |
| 214 | D | 48.2 | Very low | 47.6 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 66.2 | 66 | -178.4 | -54.6 | -12.6 | 0 | 0 | 0 | 118.2 | | |
| 215 | V | 49 | Very low | 47.2 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | | | trans | -136.9 | 62.7 | 147.6 | -166 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | D | 44.3 | Very low | 47.2 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -75.1 | 120.1 | 158.6 | -86.5 | -48.7 | 0 | 0 | 0 | 109 | | |
| 217 | G | 42.5 | Very low | 46.7 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -138.7 | 86.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 218 | L | 45.9 | Very low | 46.3 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -49.7 | 177.7 | 171.7 | -75 | 67 | 0 | 0 | 0 | 113.8 | | |
| 219 | I | 43.8 | Very low | 46 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 83.2 | 111.3 | 165.4 | -60.4 | 149.9 | 0 | 0 | 0 | 111.9 | | |
| 220 | M | 42.4 | Very low | 45.6 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | | | cis | -138.3 | 165.6 | 16.3 | -86.2 | -79.3 | 88.4 | 0 | 0 | 113.8 | | |
| 221 | P | 52.9 | Low | 45.1 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -94.6 | 155.9 | 174.1 | 37.9 | -33.6 | 0 | 0 | 0 | 113.7 | | |
| 222 | E | 52.1 | Low | 44.7 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -144.6 | 122.9 | 159.8 | -166 | 168.1 | -177.2 | 0 | 0 | 111.9 | | |
| 223 | S | 45.4 | Very low | 44.4 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 6.5 | 124.5 | 161.2 | -46.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 224 | G | 43.2 | Very low | 44 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -174.1 | 89.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S226 | G224-S226 PolarHBondContact O-N 3.21Š|
| 225 | D | 39.8 | Very low | 43.6 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | | | trans | -69.1 | 123.7 | -177.1 | -61.5 | -62.7 | 0 | 0 | 0 | 113.2 | | |
| 226 | S | 48.7 | Very low | 43.3 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -153.7 | 107.1 | 149.6 | 68 | 0 | 0 | 0 | 0 | 110.7 | G224 Q228 | G224-S226 PolarHBondContact O-N 3.21Å; S226-Q228 PolarHBondContact O-N 2.84Å |
| 227 | E | 44 | Very low | 43.2 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -61.7 | 117.8 | -178 | -55 | 164.6 | 137.2 | 0 | 0 | 112 | | |
| 228 | Q | 41.1 | Very low | 43.2 | Very low | 202 Ų | 202 | 151.6 Ų | 151.6 | 94% | 0.944 | 80% | 0.799 | S | S | * | * | | | trans | -134.3 | 87.2 | 149.7 | -73.5 | -157.5 | 33.8 | 0 | 0 | 109.3 | S226 | S226-Q228 PolarHBondContact O-N 2.84Š|
| 229 | V | 43.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | trans | -100.6 | 131.7 | -176.2 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 230 | V | 38.4 | Very low | 43.3 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | 63.2 | 116.5 | 164.8 | 171.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 231 | R | 38.7 | Very low | 43.3 | Very low | 228 Ų | 228 | 148.7 Ų | 148.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | | -162.4 | 100.9 | 119.7 | -101.3 | 153 | -157.4 | -83.4 | -1.7 | 111.1 | | |
| 232 | F | 38.1 | Very low | 42.7 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -71.7 | 132.8 | 143.6 | -71.4 | -93.6 | 0 | 0 | 0 | 106.8 | | |
| 233 | A | 43.8 | Very low | 42.4 | Very low | 86 Ų | 86 | 147 Ų | 147 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -160.9 | 112.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 234 | D | 39.4 | Very low | 42.3 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 175.5 | 161.2 | -55.9 | -74.6 | 0 | 0 | 0 | 110.7 | | |
| 235 | D | 39.6 | Very low | 42.1 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 55.3 | 99.8 | 163.6 | -60.7 | -21.5 | 0 | 0 | 0 | 119.1 | | |
| 236 | R | 42.5 | Very low | 42 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | -177.3 | 148.8 | 135.8 | -92.4 | 136.8 | -152.8 | -126 | 0.1 | 110.6 | | |
| 237 | N | 41.2 | Very low | 41.5 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | | | cis | -173.3 | 134.7 | -26.2 | -123.4 | 40.5 | 0 | 0 | 0 | 105.3 | | |
| 238 | E | 43.4 | Very low | 41.3 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | 61.9 | 166.8 | 154.8 | -62.7 | 141.6 | 176 | 0 | 0 | 115.2 | | |
| 239 | V | 46.1 | Very low | 41.5 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 62% | 0.624 | 75% | 0.748 | S | S | * | * | | | cis | -156.2 | 132.9 | 38.2 | 165.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 240 | E | 45.1 | Very low | 41.4 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | 59.5 | 150.8 | 156.5 | -66.2 | 156.7 | -168.1 | 0 | 0 | 117.9 | | |
| 241 | D | 42.9 | Very low | 41.7 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | | | cis | -168.7 | 155.5 | -5.2 | -123.2 | 16.8 | 0 | 0 | 0 | 107.7 | | |
| 242 | Q | 40.6 | Very low | 41.8 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | -141.4 | 162.4 | -3.4 | -73.3 | -173.2 | -10 | 0 | 0 | 109.9 | | |
| 243 | P | 44.8 | Very low | 41.9 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | | | trans | -83.7 | 173.2 | 164.9 | 37.5 | -36.7 | 0 | 0 | 0 | 112.4 | | |
| 244 | E | 43 | Very low | 41.6 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -175.1 | 162.5 | 133.8 | -104 | -176.7 | -155.5 | 0 | 0 | 114.1 | | |
| 245 | H | 40.1 | Very low | 41.7 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | | | trans | -19.2 | 141.1 | -177.9 | -52.9 | -66.6 | 0 | 0 | 0 | 121.1 | | |
| 246 | A | 37.7 | Very low | 41.8 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | | | cis | 95.6 | 146.4 | 28.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 247 | T | 38.5 | Very low | 41.8 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | | | trans | 64.4 | 156.2 | -177.1 | 68.9 | 0 | 0 | 0 | 0 | 115 | | |
| 248 | A | 40.1 | Very low | 41.4 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | cis | -164.8 | -168.6 | -31.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 249 | E | 44.3 | Very low | 41.3 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | cis | -162.8 | 179.1 | -0.3 | -137.2 | 136 | -124 | 0 | 0 | 108.6 | | |
| 250 | N | 40.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | | | trans | 65.5 | 116.7 | 160 | -71.3 | 34.8 | 0 | 0 | 0 | 120 | | |
| 251 | E | 44.5 | Very low | 40.5 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | | 87.2 | 136.6 | 84.3 | -77.6 | 166.9 | -170.8 | 0 | 0 | 113.4 | | |
| 252 | E | 42 | Very low | 40.6 | Very low | 188 Ų | 188 | 129.9 Ų | 129.9 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | cis | -145.1 | 150.9 | -13.3 | -86.6 | -175.6 | 135.6 | 0 | 0 | 107.1 | | |
| 253 | G | 39.8 | Very low | 41 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -160.9 | 4.1 | -165 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 254 | V | 38 | Very low | 41.4 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | 63.3 | 115.9 | 152.3 | 179.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 255 | V | 41.4 | Very low | 42.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | 87.2 | 104.6 | 148.6 | 168.3 | 0 | 0 | 0 | 0 | 121 | | |
| 256 | V | 42.3 | Very low | 43 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | | | trans | 59.7 | 122.7 | 137.5 | -176.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 257 | G | 42.3 | Very low | 44.7 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | cis | -175 | 178.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 258 | T | 32.3 | Very low | 46.2 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -60.7 | 158.7 | 173.2 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 259 | E | 40.6 | Very low | 47.7 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | cis | -153.7 | 168.2 | 49.4 | -74.4 | 168.4 | 174.6 | 0 | 0 | 114.4 | | |
| 260 | T | 34.6 | Very low | 49.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | -8.9 | 144.4 | 170.5 | 51.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 261 | P | 40.7 | Very low | 51.6 | Low | 133 Ų | 133 | 132.2 Ų | 132.2 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | -70.3 | 131.7 | 169.4 | 32 | -34 | 0 | 0 | 0 | 111.5 | | |
| 262 | V | 43.8 | Very low | 53.4 | Low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | | | trans | -114.5 | 124.3 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | E264 | V262-E264 PolarHBondContact O-N 2.95Å; V262-E264 VanDerWaalsContact O-N 3.13Å |
| 263 | E | 49.2 | Very low | 55.4 | Low | 195 Ų | 195 | 127 Ų | 127 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | | | trans | -77.3 | 89 | 174.5 | -61.3 | -178.9 | 141.9 | 0 | 0 | 109.4 | E265 | E263-E265 PolarHBondContact O-N 3.45Š|
| 264 | E | 54.1 | Low | 57.3 | Low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | | | trans | -69.8 | 125 | 171.2 | -81.6 | -159.9 | -165.5 | 0 | 0 | 111 | V262 K267 | V262-E264 PolarHBondContact O-N 2.95Å; V262-E264 VanDerWaalsContact O-N 3.13Å; E264-K267 IonicContact OE2-NZ 2.73Å; E264-K267 PolarHBondContact OE2-NZ 2.94Å |
| 265 | E | 58.8 | Low | 59.6 | Low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | | | trans | -56.5 | 151.1 | -177.6 | -61.4 | -179.1 | 147.8 | 0 | 0 | 113.3 | E263 K267 | E263-E265 PolarHBondContact O-N 3.45Å; E265-K267 PolarHBondContact O-N 3.09Å |
| 266 | P | 58.1 | Low | 61.5 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | | | trans | -63.4 | 98.7 | -178 | 25.7 | -35 | 0 | 0 | 0 | 112.1 | S268 | P266-S268 PolarHBondContact O-N 2.94Š|
| 267 | K | 73.9 | Confident | 63.4 | Low | 133 Ų | 133 | 121.4 Ų | 121.4 | 58% | 0.578 | 65% | 0.652 | S | S | * | * | | | trans | -49.6 | 102.4 | -179 | -104.6 | 160.5 | -175.4 | 129.2 | 0 | 112.3 | E264 E265 Y269 | E264-K267 IonicContact OE2-NZ 2.73Å; E264-K267 PolarHBondContact OE2-NZ 2.94Å; E265-K267 PolarHBondContact O-N 3.09Å; K267-Y269 VanDerWaalsContact C-N 3.28Å; K267-Y269 HydrophobicContact CB-CD2 4.47Å; K267-Y269 HydrophobicContact CB-CE2 4.06Å; K267-Y269 WeakPolarHBondContact O-CD2 3.33Å; K267-Y269 PolarHBondContact O-N 3.07Å |
| 268 | S | 68.1 | Low | 65.1 | Low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | | | trans | -79 | 70.2 | -176.8 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | P266 T270 | P266-S268 PolarHBondContact O-N 2.94Å; S268-T270 PolarHBondContact O-N 3.33Å |
| 269 | Y | 72.5 | Confident | 67.1 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 49% | 0.494 | 64% | 0.636 | S | S | . | * | | | trans | -53.1 | 124.1 | 177.6 | -72.3 | -73.2 | 0 | 0 | 0 | 112.1 | K267 E273 | K267-Y269 VanDerWaalsContact C-N 3.28Å; K267-Y269 HydrophobicContact CB-CD2 4.47Å; K267-Y269 HydrophobicContact CB-CE2 4.06Å; K267-Y269 WeakPolarHBondContact O-CD2 3.33Å; K267-Y269 PolarHBondContact O-N 3.07Å; Y269-E273 WeakPolarHBondContact CA-OE2 3.48Å; Y269-E273 HydrophobicContact CD1-CB 4Å; Y269-E273 WeakPolarHBondContact CD1-OE2 3.27Å |
| 270 | T | 81.8 | Confident | 68.6 | Low | 66 Ų | 66 | 121.4 Ų | 121.4 | 41% | 0.405 | 63% | 0.628 | S | S | . | * | | | trans | -65.7 | 160.8 | 174.2 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | S268 E272 E273 Y274 | S268-T270 PolarHBondContact O-N 3.33Å; T270-E272 PolarHBondContact O-N 2.98Å; T270-E273 WeakPolarHBondContact CB-OE1 3.13Å; T270-E273 WeakPolarHBondContact CG2-OE1 3.47Å; T270-E273 PolarHBondContact N-OE2 2.91Å; T270-E273 PolarHBondContact O-N 3.06Å; T270-E273 WeakPolarHBondContact OG1-CG 3.37Å; T270-E273 PolarHBondContact OG1-N 3.26Å; T270-E273 PolarHBondContact OG1-OE1 3.24Å; T270-Y274 PolarHBondContact O-N 3.29Å |
| 271 | L | 85.2 | Confident | 70 | Confident | 138 Ų | 138 | 119.6 Ų | 119.6 | 72% | 0.723 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.2 | -17.5 | 175.5 | -70.1 | 178.3 | 0 | 0 | 0 | 113.2 | K275 | L271-K275 WeakPolarHBondContact O-CD 3.23Å; L271-K275 WeakPolarHBondContact O-CE 3.43Å; L271-K275 WeakPolarHBondContact O-CG 3.47Å; L271-K275 PolarHBondContact O-N 3.2Å |
| 272 | E | 82.6 | Confident | 70.9 | Confident | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -87.5 | -43.1 | 176.6 | -56.1 | -162.7 | 157.2 | 0 | 0 | 111.1 | T270 K275 A276 | T270-E272 PolarHBondContact O-N 2.98Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 2.75Å; E272-A276 WeakPolarHBondContact O-CB 3.24Å; E272-A276 PolarHBondContact O-N 3.37Å |
| 273 | E | 83.6 | Confident | 71.6 | Confident | 88 Ų | 88 | 119.1 Ų | 119.1 | 41% | 0.411 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.7 | -43.7 | 171.3 | -71 | 148.8 | -123.9 | 0 | 0 | 112.4 | Y269 T270 K275 A276 M277 | Y269-E273 WeakPolarHBondContact CA-OE2 3.48Å; Y269-E273 HydrophobicContact CD1-CB 4Å; Y269-E273 WeakPolarHBondContact CD1-OE2 3.27Å; T270-E273 WeakPolarHBondContact CB-OE1 3.13Å; T270-E273 WeakPolarHBondContact CG2-OE1 3.47Å; T270-E273 PolarHBondContact N-OE2 2.91Å; T270-E273 PolarHBondContact O-N 3.06Å; T270-E273 WeakPolarHBondContact OG1-CG 3.37Å; T270-E273 PolarHBondContact OG1-N 3.26Å; T270-E273 PolarHBondContact OG1-OE1 3.24Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.91Å; E273-A276 PolarHBondContact O-N 2.99Å; E273-A276 VanDerWaalsContact O-N 3.13Å; E273-M277 WeakPolarHBondContact O-CB 3.2Å; E273-M277 PolarHBondContact O-N 3.49Å |
| 274 | Y | 80.4 | Confident | 71.9 | Confident | 107 Ų | 107 | 113.7 Ų | 113.7 | 42% | 0.42 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -31.7 | 177.8 | -164.5 | -90.6 | 0 | 0 | 0 | 111.6 | T270 M277 R278 | T270-Y274 PolarHBondContact O-N 3.29Å; Y274-M277 HydrophobicContact CD2-CE 3.82Å; Y274-M277 HydrophobicContact CE2-CE 3.81Å; Y274-R278 HydrophobicContact CD1-CG 3.95Å; Y274-R278 HydrophobicContact CE1-CG 3.67Å; Y274-R278 VanDerWaalsContact O-CB 3.26Å; Y274-R278 WeakPolarHBondContact O-CB 3.46Å; Y274-R278 VanDerWaalsContact O-CG 3.24Å; Y274-R278 WeakPolarHBondContact O-CG 3.49Å; Y274-R278 PolarHBondContact O-N 2.82Å; Y274-R278 PolarHBondContact OH-NE 2.92Å; Y274-R278 PolarHBondContact OH-NH2 2.81Å |
| 275 | K | 86.3 | Confident | 72 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.1 | -41 | 169.9 | -75.9 | 167.6 | -163.6 | 164.2 | 0 | 111.9 | L271 E272 E273 R278 Q279 | L271-K275 WeakPolarHBondContact O-CD 3.23Å; L271-K275 WeakPolarHBondContact O-CE 3.43Å; L271-K275 WeakPolarHBondContact O-CG 3.47Å; L271-K275 PolarHBondContact O-N 3.2Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 2.75Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.91Å; K275-R278 PolarHBondContact O-N 3.36Å; K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.23Å; K275-Q279 WeakPolarHBondContact O-CG 3.38Å; K275-Q279 PolarHBondContact O-N 3.33Å |
| 276 | A | 80.9 | Confident | 71.9 | Confident | 55 Ų | 55 | 110.1 Ų | 110.1 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E272 E273 Q279 S280 | E272-A276 WeakPolarHBondContact O-CB 3.24Å; E272-A276 PolarHBondContact O-N 3.37Å; E273-A276 PolarHBondContact O-N 2.99Å; E273-A276 VanDerWaalsContact O-N 3.13Å; A276-Q279 WeakPolarHBondContact O-CA 3.26Å; A276-Q279 WeakPolarHBondContact O-CB 3.07Å; A276-Q279 PolarHBondContact O-N 2.82Å; A276-S280 PolarHBondContact O-N 3.14Å; A276-S280 PolarHBondContact O-OG 3.18Å |
| 277 | M | 80.8 | Confident | 71.8 | Confident | 77 Ų | 77 | 109.8 Ų | 109.8 | 38% | 0.379 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.4 | -45.8 | 174.2 | -169.7 | 174.1 | 70.3 | 0 | 0 | 111.1 | E273 Y274 Q279 S280 S281 | E273-M277 WeakPolarHBondContact O-CB 3.2Å; E273-M277 PolarHBondContact O-N 3.49Å; Y274-M277 HydrophobicContact CD2-CE 3.82Å; Y274-M277 HydrophobicContact CE2-CE 3.81Å; M277-Q279 PolarHBondContact O-N 2.96Å; M277-S280 PolarHBondContact O-N 2.8Å; M277-S280 PolarHBondContact O-OG 3.14Å; M277-S281 WeakPolarHBondContact O-CA 3.42Å; M277-S281 WeakPolarHBondContact O-CB 3.46Å; M277-S281 PolarHBondContact O-N 2.81Å; M277-S281 PolarHBondContact O-OG 3.09Å; M277-S281 VanDerWaalsContact O-OG 3.06Å |
| 278 | R | 79.7 | Confident | 70.8 | Confident | 150 Ų | 150 | 110 Ų | 110 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.1 | -15.9 | 172.4 | -77 | -76.8 | -170.5 | 146 | 4.4 | 114.3 | Y274 K275 K282 | Y274-R278 HydrophobicContact CD1-CG 3.95Å; Y274-R278 HydrophobicContact CE1-CG 3.67Å; Y274-R278 VanDerWaalsContact O-CB 3.26Å; Y274-R278 WeakPolarHBondContact O-CB 3.46Å; Y274-R278 VanDerWaalsContact O-CG 3.24Å; Y274-R278 WeakPolarHBondContact O-CG 3.49Å; Y274-R278 PolarHBondContact O-N 2.82Å; Y274-R278 PolarHBondContact OH-NE 2.92Å; Y274-R278 PolarHBondContact OH-NH2 2.81Å; K275-R278 PolarHBondContact O-N 3.36Å; R278-K282 WeakPolarHBondContact O-CG 3.45Å |
| 279 | Q | 74.2 | Confident | 70.1 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -90.3 | -38.4 | 175.3 | -76.9 | 176.9 | 51.6 | 0 | 0 | 112.2 | K275 A276 M277 | K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.23Å; K275-Q279 WeakPolarHBondContact O-CG 3.38Å; K275-Q279 PolarHBondContact O-N 3.33Å; A276-Q279 WeakPolarHBondContact O-CA 3.26Å; A276-Q279 WeakPolarHBondContact O-CB 3.07Å; A276-Q279 PolarHBondContact O-N 2.82Å; M277-Q279 PolarHBondContact O-N 2.96Å |
| 280 | S | 70.7 | Confident | 69.2 | Low | 96 Ų | 96 | 112.6 Ų | 112.6 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.5 | -32.6 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | A276 M277 K282 | A276-S280 PolarHBondContact O-N 3.14Å; A276-S280 PolarHBondContact O-OG 3.18Å; M277-S280 PolarHBondContact O-N 2.8Å; M277-S280 PolarHBondContact O-OG 3.14Å; S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.22Å |
| 281 | S | 63.9 | Low | 67.8 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -85.8 | 6.5 | 176.5 | 93.9 | 0 | 0 | 0 | 0 | 113.7 | M277 P283 | M277-S281 WeakPolarHBondContact O-CA 3.42Å; M277-S281 WeakPolarHBondContact O-CB 3.46Å; M277-S281 PolarHBondContact O-N 2.81Å; M277-S281 PolarHBondContact O-OG 3.09Å; M277-S281 VanDerWaalsContact O-OG 3.06Å; S281-P283 VanDerWaalsContact O-CD 3.26Å; S281-P283 WeakPolarHBondContact O-CD 3.47Å; S281-P283 VanDerWaalsContact O-N 3.17Å |
| 282 | K | 61 | Low | 66.3 | Low | 135 Ų | 135 | 112.9 Ų | 112.9 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -58.7 | 117.9 | 157.3 | -82.5 | 163.5 | -170.5 | 173.9 | 0 | 105.6 | R278 S280 A284 | R278-K282 WeakPolarHBondContact O-CG 3.45Å; S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.22Å; K282-A284 PolarHBondContact O-N 3.19Å |
| 283 | P | 58.1 | Low | 65.2 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 69% | 0.688 | 61% | 0.613 | S | S | * | * | | | trans | -58.9 | 114.9 | 170 | 25.4 | -31.8 | 0 | 0 | 0 | 106.1 | S281 V285 | S281-P283 VanDerWaalsContact O-CD 3.26Å; S281-P283 WeakPolarHBondContact O-CD 3.47Å; S281-P283 VanDerWaalsContact O-N 3.17Å; P283-V285 HydrophobicContact CB-CG2 4.15Å; P283-V285 HydrophobicContact CG-CG2 4.16Å; P283-V285 PolarHBondContact O-N 2.91Å |
| 284 | A | 55.3 | Low | 64.4 | Low | 82 Ų | 82 | 120.3 Ų | 120.3 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | | | trans | -62.3 | 91.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | K282 L286 | K282-A284 PolarHBondContact O-N 3.19Å; A284-L286 PolarHBondContact O-N 3.03Å |
| 285 | V | 55.6 | Low | 63.6 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 66% | 0.655 | 64% | 0.644 | S | S | * | * | | | trans | -69.4 | 79.8 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 105.7 | P283 L287 | P283-V285 HydrophobicContact CB-CG2 4.15Å; P283-V285 HydrophobicContact CG-CG2 4.16Å; P283-V285 PolarHBondContact O-N 2.91Å; V285-L287 HydrophobicContact CG1-CD2 3.84Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 3.17Å |
| 286 | L | 57.5 | Low | 62.3 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 71% | 0.707 | 65% | 0.646 | S | S | * | * | | | trans | -65.5 | 74.7 | 164.3 | -71.5 | 166.9 | 0 | 0 | 0 | 105.8 | A284 N288 | A284-L286 PolarHBondContact O-N 3.03Å; L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.05Å |
| 287 | L | 55.5 | Low | 61.1 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | | | trans | -50 | 103.6 | 157.2 | -66.7 | 178.5 | 0 | 0 | 0 | 104.5 | V285 N289 | V285-L287 HydrophobicContact CG1-CD2 3.84Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 3.17Å; L287-N289 PolarHBondContact O-N 3.19Å |
| 288 | N | 53.1 | Low | 60.2 | Low | 136 Ų | 136 | 121.7 Ų | 121.7 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | | | trans | -74.7 | 63.3 | -173.6 | -86.6 | -49 | 0 | 0 | 0 | 109 | L286 K290 | L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.05Å; N288-K290 PolarHBondContact O-N 2.95Å |
| 289 | N | 53.9 | Low | 59.6 | Low | 87 Ų | 87 | 122.4 Ų | 122.4 | 47% | 0.465 | 68% | 0.681 | S | S | . | * | | | trans | -73.8 | 66.7 | -175.9 | -68.5 | -23.3 | 0 | 0 | 0 | 108.8 | L287 G291 L292 | L287-N289 PolarHBondContact O-N 3.19Å; N289-G291 PolarHBondContact O-N 3.43Å; N289-G291 VanDerWaalsContact O-N 3.1Å; N289-L292 HydrophobicContact CB-CD1 4.36Å; N289-L292 HydrophobicContact CB-CD2 4.48Å; N289-L292 HydrophobicContact CB-CG 3.74Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 WeakPolarHBondContact O-CG 3.45Å; N289-L292 PolarHBondContact O-N 3.16Å |
| 290 | K | 53.9 | Low | 59.5 | Low | 208 Ų | 208 | 121 Ų | 121 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -7.7 | 164.7 | -67.4 | -177.4 | 177.1 | 178.3 | 0 | 111.8 | N288 | N288-K290 PolarHBondContact O-N 2.95Š|
| 291 | G | 52 | Low | 59.4 | Low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 40.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N289 R293 | N289-G291 PolarHBondContact O-N 3.43Å; N289-G291 VanDerWaalsContact O-N 3.1Å; G291-R293 PolarHBondContact O-N 2.89Å |
| 292 | L | 53.9 | Low | 59.7 | Low | 142 Ų | 142 | 124.3 Ų | 124.3 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | -60.5 | 80.5 | 170.2 | -100.4 | 164 | 0 | 0 | 0 | 110.7 | N289 K294 | N289-L292 HydrophobicContact CB-CD1 4.36Å; N289-L292 HydrophobicContact CB-CD2 4.48Å; N289-L292 HydrophobicContact CB-CG 3.74Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 WeakPolarHBondContact O-CG 3.45Å; N289-L292 PolarHBondContact O-N 3.16Å; L292-K294 PolarHBondContact O-N 2.78Å |
| 293 | R | 59.8 | Low | 60.1 | Low | 232 Ų | 232 | 121.5 Ų | 121.5 | 88% | 0.875 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.1 | 159.6 | -70.9 | -176.7 | 173.5 | -176.5 | -1.6 | 107.1 | G291 A295 | G291-R293 PolarHBondContact O-N 2.89Å; R293-A295 PolarHBondContact O-N 3.02Å |
| 294 | K | 65.7 | Low | 60.7 | Low | 165 Ų | 165 | 123.8 Ų | 123.8 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 126.5 | 173.4 | -77.4 | -81.4 | -173.1 | 161.9 | 0 | 109.2 | L292 N296 D297 | L292-K294 PolarHBondContact O-N 2.78Å; K294-N296 PolarHBondContact O-N 2.95Å; K294-D297 WeakPolarHBondContact CB-OD2 3.33Å |
| 295 | A | 64.6 | Low | 61.6 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -55.6 | 124.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | R293 D297 | R293-A295 PolarHBondContact O-N 3.02Å; A295-D297 PolarHBondContact O-N 2.9Å; A295-D297 VanDerWaalsContact O-N 3.14Å |
| 296 | N | 57.8 | Low | 62.6 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 55% | 0.551 | 68% | 0.684 | S | S | * | * | | | trans | -42.1 | 113.9 | -154.4 | -171.2 | 34.3 | 0 | 0 | 0 | 113.7 | K294 G298 K299 V301 | K294-N296 PolarHBondContact O-N 2.95Å; N296-G298 PolarHBondContact O-N 2.89Å; N296-K299 PolarHBondContact ND2-O 2.84Å; N296-K299 PolarHBondContact OD1-O 3.33Å; N296-V301 WeakPolarHBondContact ND2-CG2 3.24Å |
| 297 | D | 56.3 | Low | 63.2 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | | | trans | -72.2 | 60.1 | -171.8 | -80.6 | -47.9 | 0 | 0 | 0 | 112.1 | K294 A295 K299 | K294-D297 WeakPolarHBondContact CB-OD2 3.33Å; A295-D297 PolarHBondContact O-N 2.9Å; A295-D297 VanDerWaalsContact O-N 3.14Å; D297-K299 PolarHBondContact O-N 3.37Å |
| 298 | G | 62.6 | Low | 63.6 | Low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 66.1 | -13 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N296 | N296-G298 PolarHBondContact O-N 2.89Š|
| 299 | K | 66.5 | Low | 64 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | | | trans | -80 | 125.1 | -179.1 | -70.3 | 178.5 | 178.5 | -179.7 | 0 | 110.1 | N296 D297 V301 | N296-K299 PolarHBondContact ND2-O 2.84Å; N296-K299 PolarHBondContact OD1-O 3.33Å; D297-K299 PolarHBondContact O-N 3.37Å; K299-V301 PolarHBondContact O-N 3.42Å |
| 300 | D | 72.3 | Confident | 64.3 | Low | 100 Ų | 100 | 135.3 Ų | 135.3 | 54% | 0.535 | 72% | 0.715 | S | S | . | * | | | trans | -60.3 | 122.4 | 175.4 | -170.9 | -9.9 | 0 | 0 | 0 | 109.6 | F302 A303 | D300-F302 PolarHBondContact O-N 3.19Å; D300-F302 WeakPolarHBondContact OD1-CB 3.25Å; D300-F302 VanDerWaalsContact OD1-CD2 3.27Å; D300-F302 WeakPolarHBondContact OD1-CD2 3.35Å; D300-F302 PolarHBondContact OD1-N 2.73Å; D300-A303 HydrophobicContact CB-CB 4.28Å; D300-A303 VanDerWaalsContact O-CB 3.24Å; D300-A303 WeakPolarHBondContact O-CB 3.26Å; D300-A303 PolarHBondContact O-N 2.85Å |
| 301 | V | 69.2 | Low | 64.5 | Low | 102 Ų | 102 | 132 Ų | 132 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -22.9 | -179.9 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | N296 K299 | N296-V301 WeakPolarHBondContact ND2-CG2 3.24Å; K299-V301 PolarHBondContact O-N 3.42Å |
| 302 | F | 68.5 | Low | 64.4 | Low | 133 Ų | 133 | 136.9 Ų | 136.9 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -3.5 | 177.7 | -53.1 | -65.7 | 0 | 0 | 0 | 113.8 | D300 N304 M305 | D300-F302 PolarHBondContact O-N 3.19Å; D300-F302 WeakPolarHBondContact OD1-CB 3.25Å; D300-F302 VanDerWaalsContact OD1-CD2 3.27Å; D300-F302 WeakPolarHBondContact OD1-CD2 3.35Å; D300-F302 PolarHBondContact OD1-N 2.73Å; F302-N304 PolarHBondContact O-N 2.89Å; F302-N304 VanDerWaalsContact O-N 3.17Å; F302-M305 HydrophobicContact CB-CB 4.3Å; F302-M305 HydrophobicContact CB-CE 4.21Å; F302-M305 HydrophobicContact CD1-CB 4.46Å; F302-M305 HydrophobicContact CD1-CE 3.7Å; F302-M305 HydrophobicContact CD1-SD 3.73Å; F302-M305 HydrophobicContact CE1-SD 4.33Å; F302-M305 HydrophobicContact CG-CE 4.24Å; F302-M305 WeakPolarHBondContact O-CB 3.34Å; F302-M305 PolarHBondContact O-N 2.78Å |
| 303 | A | 71.1 | Confident | 64.1 | Low | 76 Ų | 76 | 137.9 Ų | 137.9 | 63% | 0.628 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -26.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D300 | D300-A303 HydrophobicContact CB-CB 4.28Å; D300-A303 VanDerWaalsContact O-CB 3.24Å; D300-A303 WeakPolarHBondContact O-CB 3.26Å; D300-A303 PolarHBondContact O-N 2.85Å |
| 304 | N | 70.1 | Confident | 63.5 | Low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 2.3 | 174.7 | -67.1 | 1.6 | 0 | 0 | 0 | 112.9 | F302 V306 | F302-N304 PolarHBondContact O-N 2.89Å; F302-N304 VanDerWaalsContact O-N 3.17Å; N304-V306 PolarHBondContact O-N 3.4Å |
| 305 | M | 74.5 | Confident | 62.5 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 62% | 0.616 | 70% | 0.699 | S | S | * | * | | | trans | -81.7 | 87.5 | -177 | -172.2 | 176 | 67.7 | 0 | 0 | 110.3 | F302 A307 | F302-M305 HydrophobicContact CB-CB 4.3Å; F302-M305 HydrophobicContact CB-CE 4.21Å; F302-M305 HydrophobicContact CD1-CB 4.46Å; F302-M305 HydrophobicContact CD1-CE 3.7Å; F302-M305 HydrophobicContact CD1-SD 3.73Å; F302-M305 HydrophobicContact CE1-SD 4.33Å; F302-M305 HydrophobicContact CG-CE 4.24Å; F302-M305 WeakPolarHBondContact O-CB 3.34Å; F302-M305 PolarHBondContact O-N 2.78Å; M305-A307 PolarHBondContact O-N 2.95Å |
| 306 | V | 75.9 | Confident | 61.7 | Low | 106 Ų | 106 | 133.3 Ų | 133.3 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | | | trans | -59 | 119.9 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 109 | N304 H308 | N304-V306 PolarHBondContact O-N 3.4Å; V306-H308 PolarHBondContact O-CD2 2.69Å; V306-H308 PolarHBondContact O-N 3.06Å |
| 307 | A | 69.5 | Low | 61.2 | Low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | | | trans | -70.6 | 96.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | M305 R309 | M305-A307 PolarHBondContact O-N 2.95Å; A307-R309 PolarHBondContact O-N 3.35Å |
| 308 | H | 63.7 | Low | 60.4 | Low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | | | trans | -69.9 | 40.1 | 172.6 | -71.5 | -75.1 | 0 | 0 | 0 | 113.5 | V306 K310 | V306-H308 PolarHBondContact O-CD2 2.69Å; V306-H308 PolarHBondContact O-N 3.06Å; H308-K310 PolarHBondContact O-N 3.19Å; H308-K310 VanDerWaalsContact O-N 3.16Å |
| 309 | R | 62.1 | Low | 59.3 | Low | 220 Ų | 220 | 141.4 Ų | 141.4 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | | | trans | -75.2 | 96.9 | 157.7 | -70.4 | -174.1 | 177.5 | -174.9 | -0.9 | 106.7 | A307 I311 | A307-R309 PolarHBondContact O-N 3.35Å; R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 2.94Å |
| 310 | K | 61 | Low | 58.1 | Low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | | | trans | -56.7 | 101.9 | 156.7 | -69.9 | -176.5 | 179 | -178.1 | 0 | 106.1 | H308 Q312 | H308-K310 PolarHBondContact O-N 3.19Å; H308-K310 VanDerWaalsContact O-N 3.16Å; K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 2.9Å |
| 311 | I | 58.4 | Low | 56.9 | Low | 137 Ų | 137 | 144.5 Ų | 144.5 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | trans | -63.9 | 106.8 | 160.8 | -61.9 | 175.2 | 0 | 0 | 0 | 103.2 | R309 E313 | R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 2.94Å; I311-E313 HydrophobicContact CG2-CG 3.89Å; I311-E313 PolarHBondContact O-N 2.76Å |
| 312 | Q | 49.8 | Very low | 55.8 | Low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | trans | -72.1 | 87 | 168.2 | -173.5 | 168.8 | 3.2 | 0 | 0 | 105.2 | K310 V314 | K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 2.9Å; Q312-V314 VanDerWaalsContact C-N 3.33Å; Q312-V314 PolarHBondContact O-N 3.33Å |
| 313 | E | 47.7 | Very low | 54.7 | Low | 164 Ų | 164 | 149.6 Ų | 149.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -60 | 103.3 | 167.9 | -67.9 | -176 | 156.2 | 0 | 0 | 106 | I311 S315 | I311-E313 HydrophobicContact CG2-CG 3.89Å; I311-E313 PolarHBondContact O-N 2.76Å; E313-S315 PolarHBondContact O-N 3.04Å |
| 314 | V | 46.2 | Very low | 53.7 | Low | 122 Ų | 122 | 153.3 Ų | 153.3 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | -75.1 | 79 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 106 | Q312 E316 | Q312-V314 VanDerWaalsContact C-N 3.33Å; Q312-V314 PolarHBondContact O-N 3.33Å; V314-E316 PolarHBondContact O-N 3.4Å |
| 315 | S | 44.6 | Very low | 52.8 | Low | 82 Ų | 82 | 155.1 Ų | 155.1 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | | | trans | -57.2 | 125 | 166.9 | 48.2 | 0 | 0 | 0 | 0 | 108.2 | E313 D317 | E313-S315 PolarHBondContact O-N 3.04Å; S315-D317 PolarHBondContact O-N 2.83Å |
| 316 | E | 48.7 | Very low | 51.6 | Low | 189 Ų | 189 | 156.5 Ų | 156.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -76.4 | 40 | -174.1 | -60.3 | 178.7 | 119.3 | 0 | 0 | 112.5 | V314 | V314-E316 PolarHBondContact O-N 3.4Š|
| 317 | D | 45.9 | Very low | 50.8 | Low | 124 Ų | 124 | 160 Ų | 160 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | | | trans | -90.9 | 106.6 | -177.1 | -74.3 | -55.9 | 0 | 0 | 0 | 110.8 | S315 Y319 | S315-D317 PolarHBondContact O-N 2.83Å; D317-Y319 PolarHBondContact O-N 2.79Å; D317-Y319 VanDerWaalsContact O-N 3.08Å |
| 318 | V | 40.1 | Very low | 50.2 | Low | 135 Ų | 135 | 162.1 Ų | 162.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -73.5 | 96 | -173.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 319 | Y | 39.5 | Very low | 49.9 | Very low | 204 Ų | 204 | 162.5 Ų | 162.5 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -133.8 | 139.5 | 167.4 | -76 | -73.5 | 0 | 0 | 0 | 112.8 | D317 V321 | D317-Y319 PolarHBondContact O-N 2.79Å; D317-Y319 VanDerWaalsContact O-N 3.08Å; Y319-V321 PolarHBondContact O-N 2.83Å |
| 320 | E | 41.2 | Very low | 49.7 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -68.9 | 119.7 | -166.7 | -62.9 | 156.6 | 153 | 0 | 0 | 111.4 | | |
| 321 | V | 47.1 | Very low | 49.5 | Very low | 135 Ų | 135 | 159.9 Ų | 159.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -101.9 | 115.6 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | Y319 E323 | Y319-V321 PolarHBondContact O-N 2.83Å; V321-E323 PolarHBondContact O-N 3.41Å |
| 322 | E | 47.2 | Very low | 49.6 | Very low | 146 Ų | 146 | 162.1 Ų | 162.1 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | | | trans | -56.4 | 128.8 | 176 | -65.4 | -174.2 | 148.4 | 0 | 0 | 111.1 | K324 | E322-K324 PolarHBondContact O-N 3.08Å; E322-K324 VanDerWaalsContact O-N 3.09Å; E322-K324 IonicContact OE2-NZ 2.95Å; E322-K324 PolarHBondContact OE2-NZ 3.13Å |
| 323 | E | 43.9 | Very low | 50.4 | Low | 197 Ų | 197 | 158.5 Ų | 158.5 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -65.9 | 109.1 | 172.9 | -64.2 | 179.7 | 135.8 | 0 | 0 | 109.6 | V321 | V321-E323 PolarHBondContact O-N 3.41Š|
| 324 | K | 51.4 | Low | 51.5 | Low | 153 Ų | 153 | 157.7 Ų | 157.7 | 67% | 0.665 | 80% | 0.795 | S | S | * | * | | | trans | -119.2 | 100.9 | 166.4 | -79 | 177.6 | 174.5 | 124.9 | 0 | 109.1 | E322 N326 | E322-K324 PolarHBondContact O-N 3.08Å; E322-K324 VanDerWaalsContact O-N 3.09Å; E322-K324 IonicContact OE2-NZ 2.95Å; E322-K324 PolarHBondContact OE2-NZ 3.13Å; K324-N326 PolarHBondContact O-N 2.85Å |
| 325 | E | 49.5 | Very low | 52.7 | Low | 193 Ų | 193 | 158.5 Ų | 158.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -53.5 | 113.7 | 175.4 | -60.2 | 169.6 | 121.6 | 0 | 0 | 109.4 | | |
| 326 | N | 50.6 | Low | 54.1 | Low | 154 Ų | 154 | 159.8 Ų | 159.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -112.2 | 117.4 | 161.9 | -76.4 | -64.9 | 0 | 0 | 0 | 106.7 | K324 | K324-N326 PolarHBondContact O-N 2.85Š|
| 327 | E | 58.7 | Low | 55.3 | Low | 178 Ų | 178 | 157.9 Ų | 157.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -65.7 | 145 | -176.6 | -61.5 | 179.3 | 123.1 | 0 | 0 | 110.8 | E329 | E327-E329 PolarHBondContact O-N 3.05Š|
| 328 | P | 56.9 | Low | 56 | Low | 125 Ų | 125 | 159.1 Ų | 159.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -73 | 101.4 | 175.1 | 29.7 | -32.7 | 0 | 0 | 0 | 109.8 | E330 | P328-E330 PolarHBondContact O-N 2.95Š|
| 329 | E | 56.8 | Low | 57.3 | Low | 185 Ų | 185 | 157.7 Ų | 157.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -50.7 | 132.2 | 176.7 | -69.8 | -171.7 | 148.4 | 0 | 0 | 111.6 | E327 H331 | E327-E329 PolarHBondContact O-N 3.05Å; E329-H331 PolarHBondContact O-N 2.84Å; E329-H331 VanDerWaalsContact O-N 3.13Å |
| 330 | E | 58.1 | Low | 58.1 | Low | 182 Ų | 182 | 156.9 Ų | 156.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -66.5 | 113.7 | -167.7 | -60.7 | -174.8 | 139.7 | 0 | 0 | 111.7 | P328 Q332 | P328-E330 PolarHBondContact O-N 2.95Å; E330-Q332 PolarHBondContact O-N 2.69Å |
| 331 | H | 57.7 | Low | 58.6 | Low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | -61.3 | 102.5 | 168.9 | -74.2 | -43.1 | 0 | 0 | 0 | 110 | E329 S333 | E329-H331 PolarHBondContact O-N 2.84Å; E329-H331 VanDerWaalsContact O-N 3.13Å; H331-S333 PolarHBondContact O-N 2.76Å |
| 332 | Q | 60.3 | Low | 58.6 | Low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -62.2 | 93.8 | 174.7 | -65.5 | -178 | 4.4 | 0 | 0 | 110.3 | E330 I334 | E330-Q332 PolarHBondContact O-N 2.69Å; Q332-I334 PolarHBondContact O-N 2.87Å; Q332-I334 VanDerWaalsContact O-N 3.09Å |
| 333 | S | 65.2 | Low | 58.8 | Low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | trans | -70.3 | 101.8 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | H331 D335 | H331-S333 PolarHBondContact O-N 2.76Å; S333-D335 VanDerWaalsContact C-N 3.34Å; S333-D335 PolarHBondContact O-N 3.1Å |
| 334 | I | 72.1 | Confident | 59.2 | Low | 148 Ų | 148 | 146.4 Ų | 146.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -72.4 | 93.6 | 169.3 | -55.4 | 177.4 | 0 | 0 | 0 | 107.5 | Q332 I336 | Q332-I334 PolarHBondContact O-N 2.87Å; Q332-I334 VanDerWaalsContact O-N 3.09Å; I334-I336 HydrophobicContact CG2-CG1 4Å; I334-I336 PolarHBondContact O-N 2.75Å |
| 335 | D | 71.9 | Confident | 59.3 | Low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -68.1 | 98.3 | 172.8 | -74.9 | -28.4 | 0 | 0 | 0 | 109.6 | S333 D337 | S333-D335 VanDerWaalsContact C-N 3.34Å; S333-D335 PolarHBondContact O-N 3.1Å; D335-D337 PolarHBondContact O-N 3.33Å |
| 336 | I | 74.2 | Confident | 59.5 | Low | 109 Ų | 109 | 139.7 Ų | 139.7 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | | | trans | -85.2 | 99.7 | 174.8 | -54.7 | 178 | 0 | 0 | 0 | 108.5 | I334 F338 | I334-I336 HydrophobicContact CG2-CG1 4Å; I334-I336 PolarHBondContact O-N 2.75Å; I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 HydrophobicContact CB-CD2 4.17Å; I336-F338 HydrophobicContact CB-CE2 3.75Å; I336-F338 HydrophobicContact CB-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD1 4.44Å; I336-F338 HydrophobicContact CG2-CD2 3.85Å; I336-F338 HydrophobicContact CG2-CE1 4.1Å; I336-F338 HydrophobicContact CG2-CE2 3.45Å; I336-F338 VanDerWaalsContact CG2-CE2 3.45Å; I336-F338 HydrophobicContact CG2-CG 4.33Å; I336-F338 HydrophobicContact CG2-CZ 3.6Å; I336-F338 VanDerWaalsContact O-CD2 3.25Å; I336-F338 WeakPolarHBondContact O-CD2 3.33Å; I336-F338 PolarHBondContact O-N 3.02Å |
| 337 | D | 72.2 | Confident | 59.5 | Low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -64.7 | 84.9 | 173 | -88.7 | -30.4 | 0 | 0 | 0 | 111.5 | D335 S339 | D335-D337 PolarHBondContact O-N 3.33Å; D337-S339 PolarHBondContact O-N 2.99Å |
| 338 | F | 62.3 | Low | 59.1 | Low | 151 Ų | 151 | 144.4 Ų | 144.4 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | trans | -70.8 | 68.5 | 169.2 | -72.1 | -75.7 | 0 | 0 | 0 | 111.3 | I336 F340 | I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 HydrophobicContact CB-CD2 4.17Å; I336-F338 HydrophobicContact CB-CE2 3.75Å; I336-F338 HydrophobicContact CB-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD1 4.44Å; I336-F338 HydrophobicContact CG2-CD2 3.85Å; I336-F338 HydrophobicContact CG2-CE1 4.1Å; I336-F338 HydrophobicContact CG2-CE2 3.45Å; I336-F338 VanDerWaalsContact CG2-CE2 3.45Å; I336-F338 HydrophobicContact CG2-CG 4.33Å; I336-F338 HydrophobicContact CG2-CZ 3.6Å; I336-F338 VanDerWaalsContact O-CD2 3.25Å; I336-F338 WeakPolarHBondContact O-CD2 3.33Å; I336-F338 PolarHBondContact O-N 3.02Å; F338-F340 HydrophobicContact CB-CE2 4.22Å; F338-F340 WeakPolarHBondContact O-CD2 3.45Å; F338-F340 PolarHBondContact O-N 3.09Å |
| 339 | S | 66 | Low | 58.8 | Low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -67.4 | 92.7 | 167.3 | 50 | 0 | 0 | 0 | 0 | 109.8 | D337 A341 | D337-S339 PolarHBondContact O-N 2.99Å; S339-A341 PolarHBondContact O-N 2.84Å |
| 340 | F | 57.5 | Low | 58.3 | Low | 187 Ų | 187 | 145.7 Ų | 145.7 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | | | trans | -65.9 | 86.6 | 162 | -70.8 | -87 | 0 | 0 | 0 | 108.4 | F338 D342 | F338-F340 HydrophobicContact CB-CE2 4.22Å; F338-F340 WeakPolarHBondContact O-CD2 3.45Å; F338-F340 PolarHBondContact O-N 3.09Å; F340-D342 PolarHBondContact O-N 2.91Å |
| 341 | A | 51.7 | Low | 57.8 | Low | 81 Ų | 81 | 140.6 Ų | 140.6 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | -66.6 | 79.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S339 D343 | S339-A341 PolarHBondContact O-N 2.84Å; A341-D343 PolarHBondContact O-N 3.13Å |
| 342 | D | 46.2 | Very low | 57.3 | Low | 116 Ų | 116 | 144.1 Ų | 144.1 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | | | trans | -75 | 65.6 | -179.7 | -164.6 | 26.5 | 0 | 0 | 0 | 110 | F340 F344 G345 | F340-D342 PolarHBondContact O-N 2.91Å; D342-F344 PolarHBondContact O-N 3.31Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.41Å; D342-G345 PolarHBondContact O-N 3.37Å |
| 343 | D | 50.8 | Low | 56.6 | Low | 84 Ų | 84 | 138.8 Ų | 138.8 | 45% | 0.449 | 74% | 0.744 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -3.6 | -178.6 | -100.8 | -37.1 | 0 | 0 | 0 | 113.7 | A341 G345 N346 | A341-D343 PolarHBondContact O-N 3.13Å; D343-G345 PolarHBondContact O-N 3.36Å; D343-N346 PolarHBondContact O-N 3.03Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-N346 PolarHBondContact OD1-ND2 3.07Å |
| 344 | F | 53.4 | Low | 55.6 | Low | 173 Ų | 173 | 142.1 Ų | 142.1 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -26.2 | 162.1 | -65.3 | -91.2 | 0 | 0 | 0 | 112.1 | D342 | D342-F344 PolarHBondContact O-N 3.31Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.41Å |
| 345 | G | 53.4 | Low | 54.5 | Low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -33.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D342 D343 R347 | D342-G345 PolarHBondContact O-N 3.37Å; D343-G345 PolarHBondContact O-N 3.36Å; G345-R347 VanDerWaalsContact C-N 3.26Å; G345-R347 PolarHBondContact O-N 3.18Å |
| 346 | N | 52.6 | Low | 53.5 | Low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -6 | -178.6 | -79.1 | -40 | 0 | 0 | 0 | 113.4 | D343 | D343-N346 PolarHBondContact O-N 3.03Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-N346 PolarHBondContact OD1-ND2 3.07Å |
| 347 | R | 51.4 | Low | 52.2 | Low | 189 Ų | 189 | 144.8 Ų | 144.8 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -109.4 | 104.2 | -176.6 | -61.4 | -177.3 | -170 | -165.7 | 3.2 | 111.4 | G345 | G345-R347 VanDerWaalsContact C-N 3.26Å; G345-R347 PolarHBondContact O-N 3.18Å |
| 348 | R | 49.5 | Very low | 50.9 | Low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 80.4 | 60.6 | 161.9 | -48.1 | 174.1 | 179.5 | -173.9 | -0.6 | 118 | | |
| 349 | R | 51.5 | Low | 50.1 | Low | 247 Ų | 247 | 142.3 Ų | 142.3 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -122.4 | 134.7 | 137.8 | -77.4 | -169.4 | 174.5 | 179.8 | 0.8 | 110 | G351 | R349-G351 PolarHBondContact O-N 3.09Š|
| 350 | G | 46.2 | Very low | 49.2 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | | | trans | -74.1 | 106.2 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 351 | G | 47.2 | Very low | 48.8 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -90.7 | 121.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R349 G353 | R349-G351 PolarHBondContact O-N 3.09Å; G351-G353 PolarHBondContact O-N 2.69Å |
| 352 | R | 47.5 | Very low | 48.5 | Very low | 261 Ų | 261 | 146.6 Ų | 146.6 | 99% | 0.985 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 113.5 | 173.5 | -67 | 178.8 | -178.8 | 170.6 | -0.2 | 108.8 | | |
| 353 | G | 45.1 | Very low | 48.4 | Very low | 72 Ų | 72 | 151 Ų | 151 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -140.6 | 39.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G351 E355 | G351-G353 PolarHBondContact O-N 2.69Å; G353-E355 PolarHBondContact O-N 3.47Å |
| 354 | F | 44.7 | Very low | 48.1 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 40.6 | -176 | -137.8 | -65.8 | 0 | 0 | 0 | 112.8 | | |
| 355 | E | 49.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -130.8 | 64.3 | -171.9 | -89.9 | 176.9 | 176.1 | 0 | 0 | 112.6 | G353 | G353-E355 PolarHBondContact O-N 3.47Š|
| 356 | S | 49.5 | Very low | 47.5 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -150.9 | 54.1 | 142.5 | -79.6 | 0 | 0 | 0 | 0 | 110.2 | G358 | S356-G358 VanDerWaalsContact C-N 3.33Å; S356-G358 PolarHBondContact O-N 3.03Å |
| 357 | R | 46.9 | Very low | 47.2 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | | | trans | -68.4 | 97.3 | 157.3 | -74.8 | -175.6 | -178.3 | 157.3 | 4.8 | 107.6 | F359 | R357-F359 PolarHBondContact O-N 3.46Š|
| 358 | G | 45.4 | Very low | 46.8 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -69.9 | 49.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S356 | S356-G358 VanDerWaalsContact C-N 3.33Å; S356-G358 PolarHBondContact O-N 3.03Å |
| 359 | F | 45.8 | Very low | 46.6 | Very low | 172 Ų | 172 | 146 Ų | 146 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -160.8 | 104.2 | 176.8 | -104.6 | -70.3 | 0 | 0 | 0 | 108.7 | R357 R361 | R357-F359 PolarHBondContact O-N 3.46Å; F359-R361 PolarHBondContact O-N 3.18Å |
| 360 | D | 46.9 | Very low | 46 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -60.2 | 115.4 | 177.8 | -62.3 | -85.6 | 0 | 0 | 0 | 111.4 | | |
| 361 | R | 48.9 | Very low | 46.1 | Very low | 219 Ų | 219 | 139.5 Ų | 139.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -124.9 | 98.1 | 165 | -73.4 | -165.6 | -175.9 | -178.2 | 2.8 | 109.4 | F359 | F359-R361 PolarHBondContact O-N 3.18Š|
| 362 | G | 44.9 | Very low | 46 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 41.6 | 90.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 363 | R | 45.9 | Very low | 46 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | | | trans | -84.9 | 121 | 137 | -80.3 | -156.5 | -170.2 | -161.4 | 6.2 | 109.1 | | |
| 364 | D | 44.6 | Very low | 46.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | | | | 58.1 | 91.5 | 129.7 | -45.8 | -35.3 | 0 | 0 | 0 | 117.7 | | |
| 365 | V | 49.2 | Very low | 46.2 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | | 44.2 | 96.8 | 127.7 | -174.5 | 0 | 0 | 0 | 0 | 116 | R367 | V365-R367 PolarHBondContact O-N 2.96Å; V365-R367 VanDerWaalsContact O-N 3.09Å |
| 366 | A | 44.8 | Very low | 46 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -64 | 107.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 367 | R | 46 | Very low | 45.9 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | 154.8 | 117 | 152.9 | -86 | 152.3 | -175.9 | 165.6 | 1.1 | 110 | V365 | V365-R367 PolarHBondContact O-N 2.96Å; V365-R367 VanDerWaalsContact O-N 3.09Å |
| 368 | G | 42.8 | Very low | 45.9 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | 166.8 | 97.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 369 | A | 45.4 | Very low | 45.9 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 95% | 0.95 | 83% | 0.827 | S | S | * | * | | | trans | -55.9 | 149.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 370 | G | 37.8 | Very low | 46 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | | | trans | 146.3 | 90.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 371 | P | 48.4 | Very low | 46 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | | | trans | -90.6 | 136.8 | 170.1 | 34.2 | -31.2 | 0 | 0 | 0 | 112.3 | | |
| 372 | R | 46.6 | Very low | 45.9 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | | | trans | -164.4 | 140.7 | 158.9 | -125.4 | 169.7 | -178.5 | 133.3 | 1.7 | 115.2 | | |
| 373 | S | 45.7 | Very low | 46 | Very low | 94 Ų | 94 | 149.7 Ų | 149.7 | 66% | 0.657 | 83% | 0.83 | S | S | * | * | | | trans | 46.9 | 108.4 | 156.1 | 53.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 374 | E | 49.9 | Very low | 46 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | | | | 75.1 | 83.1 | 66.9 | -67.3 | 175.8 | 173.7 | 0 | 0 | 115.8 | | |
| 375 | R | 45.9 | Very low | 46.1 | Very low | 260 Ų | 260 | 150.5 Ų | 150.5 | 98% | 0.981 | 84% | 0.843 | S | S | * | * | | | trans | -176.1 | 141.6 | 147 | -104.7 | 168.3 | -178.9 | -176.2 | 0.4 | 108.2 | | |
| 376 | G | 44.1 | Very low | 45.9 | Very low | 76 Ų | 76 | 151.1 Ų | 151.1 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | | | cis | 159.5 | 120.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 377 | G | 47.5 | Very low | 46.1 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | | | trans | 91.2 | 110.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 378 | R | 47.4 | Very low | 46.2 | Very low | 260 Ų | 260 | 150.3 Ų | 150.3 | 98% | 0.981 | 85% | 0.845 | S | S | * | * | | | | 68.9 | 107.3 | 51.1 | -60.2 | -173 | 175.3 | 178.2 | -0.4 | 113.4 | | |
| 379 | G | 45.5 | Very low | 46.4 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | | | trans | -179 | 66.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 380 | R | 47.3 | Very low | 46.5 | Very low | 260 Ų | 260 | 155.6 Ų | 155.6 | 98% | 0.981 | 84% | 0.835 | S | S | * | * | | | trans | -100.8 | 121.2 | 176.1 | -89.8 | -170.5 | 176.5 | -176.5 | -0 | 111.6 | | |
| 381 | G | 46.7 | Very low | 47 | Very low | 61 Ų | 61 | 154.9 Ų | 154.9 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | | | trans | -149 | 141.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 382 | Q | 48.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | | | cis | 51.3 | 123.3 | 34.6 | -53.6 | -166.9 | -1.9 | 0 | 0 | 110.4 | | |
| 383 | I | 45.8 | Very low | 46.8 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | | | cis | -132.3 | 164.1 | 42 | -74.8 | 157.1 | 0 | 0 | 0 | 112.8 | | |
| 384 | R | 45.6 | Very low | 46.5 | Very low | 221 Ų | 221 | 158.8 Ų | 158.8 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | | | trans | -74.7 | 157.7 | 178.4 | -52.2 | 163.9 | -176 | 147 | -1.7 | 111.9 | | |
| 385 | S | 47.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 156 Ų | 156 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | | | trans | -150.7 | 125 | 148 | -94.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 386 | D | 45.3 | Very low | 46.4 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | | | trans | -83.1 | 121.3 | 180 | -61.9 | -90.5 | 0 | 0 | 0 | 111.9 | | |
| 387 | G | 47.1 | Very low | 46.4 | Very low | 84 Ų | 84 | 153 Ų | 153 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | -109.8 | 94.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 388 | R | 49.2 | Very low | 46.7 | Very low | 235 Ų | 235 | 156 Ų | 156 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | trans | -89.1 | 128.2 | -174.9 | -60.2 | 176.8 | -175.8 | 169 | 1 | 113.1 | | |
| 389 | G | 46.8 | Very low | 46.6 | Very low | 64 Ų | 64 | 150.9 Ų | 150.9 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -180 | 114.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 390 | R | 47.7 | Very low | 47.1 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | | | | 48.7 | 115.3 | 55.1 | -53.2 | -171.3 | -176.6 | -158.6 | 2.2 | 110.7 | | |
| 391 | G | 47.9 | Very low | 47.2 | Very low | 58 Ų | 58 | 149.5 Ų | 149.5 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | | | cis | 141.1 | 165.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 392 | F | 44.7 | Very low | 48.2 | Very low | 219 Ų | 219 | 154.2 Ų | 154.2 | 96% | 0.961 | 81% | 0.812 | S | S | * | * | | | trans | 65.5 | 156.1 | -174.6 | -40.2 | -78.4 | 0 | 0 | 0 | 113.3 | | |
| 393 | G | 46.3 | Very low | 49.2 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | cis | -160.2 | 167.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 394 | R | 40.6 | Very low | 50.4 | Low | 251 Ų | 251 | 147.8 Ų | 147.8 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | | | trans | -84.9 | 126.3 | -177 | -48.8 | 166.5 | -175.2 | 164.4 | -1.7 | 111 | | |
| 395 | V | 45.7 | Very low | 51.6 | Low | 130 Ų | 130 | 143 Ų | 143 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | -151.7 | 127.7 | 148.8 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 396 | L | 46.3 | Very low | 52.5 | Low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -124.1 | 161.7 | 141.4 | -70.8 | 172.7 | 0 | 0 | 0 | 105.5 | | |
| 397 | P | 45.1 | Very low | 53.5 | Low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | | | cis | -119.3 | 179.5 | -4.9 | 41.4 | -29.1 | 0 | 0 | 0 | 112.6 | | |
| 398 | I | 54.2 | Low | 54 | Low | 134 Ų | 134 | 144 Ų | 144 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | trans | -137.2 | 123.2 | 161.8 | -63.4 | -177.4 | 0 | 0 | 0 | 108.8 | D400 | I398-D400 HydrophobicContact CG2-CB 3.9Å; I398-D400 WeakPolarHBondContact CG2-OD2 3.16Å |
| 399 | N | 44.6 | Very low | 54.4 | Low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -108.6 | 81.4 | 169.9 | -82.8 | -17.7 | 0 | 0 | 0 | 108.3 | | |
| 400 | D | 55.6 | Low | 55.2 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | -98.8 | 150.4 | 179.7 | -80.3 | -13.3 | 0 | 0 | 0 | 112.6 | I398 | I398-D400 HydrophobicContact CG2-CB 3.9Å; I398-D400 WeakPolarHBondContact CG2-OD2 3.16Å |
| 401 | H | 50.5 | Low | 56.1 | Low | 179 Ų | 179 | 136.4 Ų | 136.4 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | trans | -74.6 | 137.3 | -159.6 | -53.2 | -40.9 | 0 | 0 | 0 | 115.5 | | |
| 402 | I | 67.1 | Low | 56.9 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | | | trans | -127.7 | 117.2 | 146 | -58.4 | 178.7 | 0 | 0 | 0 | 107 | | |
| 403 | P | 69.9 | Low | 57.6 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.7 | 173.5 | 30.8 | -33.5 | 0 | 0 | 0 | 110.7 | | |
| 404 | P | 70 | Confident | 58.5 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 154.7 | 169.9 | 30 | -34.7 | 0 | 0 | 0 | 110.9 | | |
| 405 | P | 71.7 | Confident | 60 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.2 | 176.8 | 26.1 | -34.4 | 0 | 0 | 0 | 111.9 | I407 | P405-I407 PolarHBondContact O-N 3.3Š|
| 406 | A | 66.9 | Low | 60.6 | Low | 80 Ų | 80 | 130.7 Ų | 130.7 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | | | trans | -79.2 | 109.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N408 | A406-N408 PolarHBondContact O-N 2.9Š|
| 407 | I | 64.7 | Low | 60.8 | Low | 146 Ų | 146 | 135 Ų | 135 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -71.1 | 8.3 | -174.1 | -32.6 | 178.9 | 0 | 0 | 0 | 113.6 | P405 | P405-I407 PolarHBondContact O-N 3.3Š|
| 408 | N | 58.4 | Low | 61.6 | Low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | | | trans | -115.8 | 31.1 | -172.3 | -64.2 | 3.1 | 0 | 0 | 0 | 112.2 | A406 | A406-N408 PolarHBondContact O-N 2.9Š|
| 409 | N | 57.1 | Low | 62 | Low | 73 Ų | 73 | 136.6 Ų | 136.6 | 39% | 0.39 | 74% | 0.738 | S | S | . | * | | | trans | -96.5 | 101 | -178.2 | -163.9 | 21.1 | 0 | 0 | 0 | 110.2 | Q411 E412 | N409-Q411 PolarHBondContact O-N 3.02Å; N409-E412 HydrophobicContact CB-CG 4.48Å; N409-E412 PolarHBondContact ND2-OE1 2.99Å; N409-E412 PolarHBondContact O-N 2.78Å |
| 410 | D | 64.6 | Low | 63 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 3.4 | -175.2 | -74.7 | -17.3 | 0 | 0 | 0 | 115.5 | | |
| 411 | Q | 65.5 | Low | 63.4 | Low | 163 Ų | 163 | 135.7 Ų | 135.7 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -21.3 | 173.9 | -63.3 | -173 | -29.1 | 0 | 0 | 113.4 | N409 | N409-Q411 PolarHBondContact O-N 3.02Š|
| 412 | E | 64.6 | Low | 64.2 | Low | 120 Ų | 120 | 133 Ų | 133 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -86.7 | -15 | -170.8 | -70.9 | 170.1 | -146.7 | 0 | 0 | 113.8 | N409 P414 | N409-E412 HydrophobicContact CB-CG 4.48Å; N409-E412 PolarHBondContact ND2-OE1 2.99Å; N409-E412 PolarHBondContact O-N 2.78Å; E412-P414 WeakPolarHBondContact O-CD 3.2Å |
| 413 | F | 61 | Low | 64 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | | | trans | -124.2 | 71.9 | 177.1 | -65.9 | -77.9 | 0 | 0 | 0 | 112.5 | S415 L416 | F413-S415 PolarHBondContact O-N 2.94Å; F413-L416 HydrophobicContact CB-CD1 4.01Å; F413-L416 HydrophobicContact CD1-CD1 4.42Å; F413-L416 HydrophobicContact CG-CD1 4.4Å; F413-L416 PolarHBondContact O-N 3.09Å |
| 414 | P | 64.7 | Low | 63.6 | Low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -8.9 | 177.2 | 27.2 | -35.5 | 0 | 0 | 0 | 114.1 | E412 | E412-P414 WeakPolarHBondContact O-CD 3.2Š|
| 415 | S | 71.3 | Confident | 63.1 | Low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 18.9 | -178 | 67 | 0 | 0 | 0 | 0 | 114.9 | F413 | F413-S415 PolarHBondContact O-N 2.94Š|
| 416 | L | 59.4 | Low | 62.4 | Low | 140 Ų | 140 | 135.8 Ų | 135.8 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | trans | -124.9 | 27.2 | -176.2 | -100.7 | 123.8 | 0 | 0 | 0 | 113.6 | F413 | F413-L416 HydrophobicContact CB-CD1 4.01Å; F413-L416 HydrophobicContact CD1-CD1 4.42Å; F413-L416 HydrophobicContact CG-CD1 4.4Å; F413-L416 PolarHBondContact O-N 3.09Å |
| 417 | K | 50.1 | Low | 61.9 | Low | 256 Ų | 256 | 140.8 Ų | 140.8 | 100% | 1.113 | 72% | 0.724 | S | S | * | * | | | trans | -121.3 | 0 | 170.4 | -77.3 | 177.1 | 176.4 | 164.4 | 0 | 110.7 | | |