| 1 | M | 54 | Low | 58.3 | Low | 242 Ų | 242 | 144.2 Ų | 144.2 | 100% | 1.192 | 80% | 0.797 | S | S | * | * | | | | 0 | 88.8 | 0 | -70.8 | -66.7 | 151.4 | 0 | 0 | 106.9 | | |
| 2 | A | 57 | Low | 58.9 | Low | 98 Ų | 98 | 139.7 Ų | 139.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -148.4 | 78.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 3 | S | 58.6 | Low | 58.6 | Low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -138.7 | 63.7 | -179 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | D | 62.7 | Low | 58.3 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -136.9 | 12 | 175.6 | -68.9 | -65 | 0 | 0 | 0 | 114.3 | | |
| 5 | S | 56.9 | Low | 58.3 | Low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -123.6 | -4.8 | -177 | -50.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 6 | I | 61.2 | Low | 57.8 | Low | 148 Ų | 148 | 138.8 Ų | 138.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -76.1 | -18.6 | 169.6 | -66.1 | 154.8 | 0 | 0 | 0 | 110.7 | | |
| 7 | F | 54.3 | Low | 57.3 | Low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -83.5 | -22 | 176.7 | -167.3 | -99.6 | 0 | 0 | 0 | 113.8 | | |
| 8 | E | 58.9 | Low | 57.1 | Low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -90.5 | 2 | 173.5 | -73.4 | -151.6 | 133.4 | 0 | 0 | 113.5 | | |
| 9 | S | 65.4 | Low | 56.7 | Low | 77 Ų | 77 | 142.9 Ų | 142.9 | 54% | 0.538 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -103 | 33.9 | -175.9 | -160.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 10 | F | 51.8 | Low | 56.5 | Low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -149.4 | 125.6 | 154 | -69.5 | -74 | 0 | 0 | 0 | 108.3 | S12 | F10-S12 PolarHBondContact O-N 3.35Š|
| 11 | P | 60.3 | Low | 56.5 | Low | 137 Ų | 137 | 142.8 Ų | 142.8 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | trans | -65.3 | 83.1 | 170.8 | 26 | -31.1 | 0 | 0 | 0 | 109.1 | Y13 | P11-Y13 PolarHBondContact O-N 2.8Š|
| 12 | S | 66 | Low | 56.3 | Low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | | | trans | -75 | 91.3 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | F10 | F10-S12 PolarHBondContact O-N 3.35Š|
| 13 | Y | 54.8 | Low | 56.2 | Low | 194 Ų | 194 | 140.1 Ų | 140.1 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | S | Bend | | 157.5 | 133.5 | 129.3 | -84.9 | -72.2 | 0 | 0 | 0 | 107.4 | P11 Q15 | P11-Y13 PolarHBondContact O-N 2.8Å; Y13-Q15 PolarHBondContact O-N 3.08Å |
| 14 | P | 54.5 | Low | 56 | Low | 91 Ų | 91 | 141.9 Ų | 141.9 | 59% | 0.591 | 71% | 0.708 | S | S | * | * | | | trans | -59 | 110.8 | 170.7 | 23.7 | -30.7 | 0 | 0 | 0 | 108.7 | C16 | P14-C16 HydrophobicContact CB-CB 3.82Å; P14-C16 PolarHBondContact O-N 2.77Å; P14-C16 WeakPolarHBondContact CB-SG 3.24Å |
| 15 | Q | 57.6 | Low | 55.7 | Low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -56 | 0.4 | 160.5 | -79.3 | -115.3 | 9.3 | 0 | 0 | 112.6 | Y13 F17 M18 | Y13-Q15 PolarHBondContact O-N 3.08Å; Q15-F17 PolarHBondContact O-N 2.8Å; Q15-M18 PolarHBondContact O-N 3.01Å |
| 16 | C | 50.8 | Low | 55.8 | Low | 104 Ų | 104 | 143.2 Ų | 143.2 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -58.6 | -21.9 | 174.3 | -48.9 | 0 | 0 | 0 | 0 | 113.8 | P14 | P14-C16 HydrophobicContact CB-CB 3.82Å; P14-C16 PolarHBondContact O-N 2.77Å; P14-C16 WeakPolarHBondContact CB-SG 3.24Å |
| 17 | F | 49.2 | Very low | 55.5 | Low | 178 Ų | 178 | 141.8 Ų | 141.8 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -83 | -27.5 | -178.2 | -167.2 | -101 | 0 | 0 | 0 | 114.1 | Q15 | Q15-F17 PolarHBondContact O-N 2.8Š|
| 18 | M | 53.5 | Low | 56.3 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 56% | 0.562 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -4.4 | -174.1 | -69.6 | -70.4 | -77.8 | 0 | 0 | 114.3 | Q15 | Q15-M18 PolarHBondContact O-N 3.01Š|
| 19 | R | 50.6 | Low | 56.5 | Low | 202 Ų | 202 | 136.4 Ų | 136.4 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -93.1 | 12.8 | 174 | -99.1 | 178.9 | 75.4 | 104 | -3.2 | 114.4 | R21 | R19-R21 VanDerWaalsContact C-N 3.28Š|
| 20 | D | 52.4 | Low | 56.5 | Low | 84 Ų | 84 | 140 Ų | 140 | 45% | 0.449 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | 14.2 | 176.2 | -154.3 | -121.7 | 0 | 0 | 0 | 112.9 | K24 | D20-K24 WeakPolarHBondContact OD2-CE 2.98Å; D20-K24 PolarHBondContact OD2-NZ 2.82Å; D20-K24 IonicContact OD2-NZ 2.68Å; D20-K24 PolarHBondContact OD1-NZ 2.78Å; D20-K24 IonicContact OD1-NZ 3.24Å; D20-K24 WeakPolarHBondContact OD1-CE 3.11Å; D20-K24 VanDerWaalsContact CG-NZ 3.33Å |
| 21 | R | 55.6 | Low | 56.9 | Low | 199 Ų | 199 | 135.8 Ų | 135.8 | 75% | 0.751 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 8.9 | 175.8 | -70.1 | -171.9 | -176.1 | 171.5 | 1.6 | 114.4 | R19 | R19-R21 VanDerWaalsContact C-N 3.28Š|
| 22 | T | 49.3 | Very low | 57 | Low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -97.8 | 85.2 | 156.9 | 37 | 0 | 0 | 0 | 0 | 106.2 | K24 | T22-K24 PolarHBondContact O-N 2.79Å; T22-K24 VanDerWaalsContact O-N 3.1Å |
| 23 | E | 55.1 | Low | 56.6 | Low | 168 Ų | 168 | 135.9 Ų | 135.9 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | | | trans | 32.7 | 76.1 | 147.8 | -56.1 | -58.5 | 111 | 0 | 0 | 111 | H25 | E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.5Å |
| 24 | K | 55.6 | Low | 57 | Low | 140 Ų | 140 | 132.9 Ų | 132.9 | 61% | 0.609 | 69% | 0.694 | S | S | * | * | | | trans | -26.5 | 103.4 | 161.7 | -77.6 | -85.7 | -178.7 | -160.1 | 0 | 106.2 | D20 T22 S26 | D20-K24 WeakPolarHBondContact OD2-CE 2.98Å; D20-K24 PolarHBondContact OD2-NZ 2.82Å; D20-K24 IonicContact OD2-NZ 2.68Å; D20-K24 PolarHBondContact OD1-NZ 2.78Å; D20-K24 IonicContact OD1-NZ 3.24Å; D20-K24 WeakPolarHBondContact OD1-CE 3.11Å; D20-K24 VanDerWaalsContact CG-NZ 3.33Å; T22-K24 PolarHBondContact O-N 2.79Å; T22-K24 VanDerWaalsContact O-N 3.1Å; K24-S26 PolarHBondContact O-N 2.98Å; K24-S26 WeakPolarHBondContact O-CA 3.21Å; K24-S26 VanDerWaalsContact C-N 3.3Å |
| 25 | H | 56.4 | Low | 57.3 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | | | trans | -44.1 | 108.8 | 177.7 | -169.3 | -80.1 | 0 | 0 | 0 | 104 | E23 T27 | E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.5Å; H25-T27 PolarHBondContact O-N 2.77Å; H25-T27 PolarHBondContact O-OG1 2.81Å |
| 26 | S | 57.5 | Low | 57.4 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | | | trans | -44 | 99.4 | -164.8 | 175.7 | 0 | 0 | 0 | 0 | 106.4 | K24 M28 | K24-S26 PolarHBondContact O-N 2.98Å; K24-S26 WeakPolarHBondContact O-CA 3.21Å; K24-S26 VanDerWaalsContact C-N 3.3Å; S26-M28 PolarHBondContact O-N 3.21Å |
| 27 | T | 56.3 | Low | 58.1 | Low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -78.1 | 76.9 | 168.1 | -59.4 | 0 | 0 | 0 | 0 | 99.7 | H25 P29 | H25-T27 PolarHBondContact O-N 2.77Å; H25-T27 PolarHBondContact O-OG1 2.81Å; T27-P29 VanDerWaalsContact C-N 3.31Å; T27-P29 WeakPolarHBondContact O-CD 3.46Å |
| 28 | M | 70.1 | Confident | 58.8 | Low | 148 Ų | 148 | 133.6 Ų | 133.6 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | | | trans | -43.8 | 114.7 | 154.1 | -89.2 | -164.5 | 43.1 | 0 | 0 | 102.9 | S26 D30 | S26-M28 PolarHBondContact O-N 3.21Å; M28-D30 PolarHBondContact O-N 2.94Å |
| 29 | P | 63.1 | Low | 59.4 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | -52 | 118.6 | -177.1 | 21.8 | -31.8 | 0 | 0 | 0 | 103.8 | T27 S31 | T27-P29 VanDerWaalsContact C-N 3.31Å; T27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-S31 PolarHBondContact O-N 2.72Å |
| 30 | D | 66.4 | Low | 60.2 | Low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | | | trans | -49.6 | 109.3 | 168.1 | -103.3 | -54.8 | 0 | 0 | 0 | 103.1 | M28 P32 | M28-D30 PolarHBondContact O-N 2.94Å; D30-P32 VanDerWaalsContact O-N 3.1Å |
| 31 | S | 60.2 | Low | 60.8 | Low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | | | trans | -46.9 | 128.1 | 171.8 | 166.9 | 0 | 0 | 0 | 0 | 103.7 | P29 V33 | P29-S31 PolarHBondContact O-N 2.72Å; S31-V33 WeakPolarHBondContact O-CA 3.39Å; S31-V33 PolarHBondContact O-N 2.82Å |
| 32 | P | 61.2 | Low | 61.4 | Low | 93 Ų | 93 | 127.3 Ų | 127.3 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | | | trans | -47.7 | 116.4 | -177.2 | 19.6 | -31.1 | 0 | 0 | 0 | 106.4 | D30 D34 V35 | D30-P32 VanDerWaalsContact O-N 3.1Å; P32-D34 CarbonylContact O-C 3.39Å; P32-D34 PolarHBondContact O-N 2.69Å; P32-V35 HydrophobicContact CG-CG2 4.18Å; P32-V35 PolarHBondContact O-N 2.87Å |
| 33 | V | 59.4 | Low | 62.5 | Low | 135 Ų | 135 | 126.6 Ų | 126.6 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -8.9 | -166.2 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | S31 | S31-V33 WeakPolarHBondContact O-CA 3.39Å; S31-V33 PolarHBondContact O-N 2.82Å |
| 34 | D | 62.6 | Low | 63 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 71.3 | 167.2 | -57.8 | -75.9 | 0 | 0 | 0 | 110.3 | P32 K36 | P32-D34 CarbonylContact O-C 3.39Å; P32-D34 PolarHBondContact O-N 2.69Å; D34-K36 PolarHBondContact O-N 2.65Å |
| 35 | V | 60 | Low | 63.7 | Low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | -64.8 | 78.9 | 138.6 | -178.7 | 0 | 0 | 0 | 0 | 104.7 | P32 T37 | P32-V35 HydrophobicContact CG-CG2 4.18Å; P32-V35 PolarHBondContact O-N 2.87Å; V35-T37 PolarHBondContact O-N 3.15Å |
| 36 | K | 61.2 | Low | 64.7 | Low | 163 Ų | 163 | 121.1 Ų | 121.1 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | | | trans | -41.5 | 108.4 | 170.4 | 178.4 | 177.9 | -179.6 | 175.4 | 0 | 104.7 | D34 Q38 | D34-K36 PolarHBondContact O-N 2.65Å; K36-Q38 PolarHBondContact O-N 2.83Å; K36-Q38 HydrophobicContact CG-CB 4.49Å |
| 37 | T | 64.5 | Low | 65.6 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | | | trans | -60.8 | 82.8 | 159.7 | 35.8 | 0 | 0 | 0 | 0 | 104 | V35 S39 | V35-T37 PolarHBondContact O-N 3.15Å; T37-S39 PolarHBondContact O-N 2.77Å |
| 38 | Q | 63.3 | Low | 66.4 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 66% | 0.659 | 69% | 0.688 | S | S | * | * | | | trans | -66.5 | 87.1 | 165.2 | -179.2 | 175.5 | -21.3 | 0 | 0 | 102.6 | K36 R40 | K36-Q38 PolarHBondContact O-N 2.83Å; K36-Q38 HydrophobicContact CG-CB 4.49Å; Q38-R40 PolarHBondContact O-N 2.98Å |
| 39 | S | 67 | Low | 66.8 | Low | 88 Ų | 88 | 119.2 Ų | 119.2 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | | | trans | -50.7 | 106.2 | 157.2 | 176 | 0 | 0 | 0 | 0 | 103.5 | T37 L41 | T37-S39 PolarHBondContact O-N 2.77Å; S39-L41 PolarHBondContact O-N 2.8Å |
| 40 | R | 66.2 | Low | 67.5 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 45% | 0.449 | 69% | 0.687 | S | S | . | * | | | trans | -69.9 | 90.9 | 177 | -144.5 | -164.4 | 177 | -84.4 | 7 | 103.2 | Q38 T42 P43 P44 | Q38-R40 PolarHBondContact O-N 2.98Å; R40-T42 CarbonylContact O-C 3.17Å; R40-T42 VanDerWaalsContact O-O 3.08Å; R40-T42 PolarHBondContact O-N 2.84Å; R40-T42 PolarHBondContact NH1-OG1 2.85Å; R40-T42 PolarHBondContact NH1-O 2.74Å; R40-T42 WeakPolarHBondContact CG-O 2.93Å; R40-T42 WeakPolarHBondContact CD-O 2.8Å; R40-T42 WeakPolarHBondContact CB-O 3.34Å; R40-T42 VanDerWaalsContact C-O 3.32Å; R40-T42 CarbonylContact C-O 3.32Å; R40-P43 PolarHBondContact NH1-O 2.64Å; R40-P44 VanDerWaalsContact NH1-CA 3.33Å |
| 41 | L | 66.8 | Low | 67.6 | Low | 168 Ų | 168 | 118.5 Ų | 118.5 | 88% | 0.88 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -54.9 | -18.9 | -178.7 | -73.3 | 172.2 | 0 | 0 | 0 | 111.6 | S39 | S39-L41 PolarHBondContact O-N 2.8Š|
| 42 | T | 67.7 | Low | 68 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 56% | 0.564 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113.9 | 131.5 | 157.5 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | R40 | R40-T42 CarbonylContact O-C 3.17Å; R40-T42 VanDerWaalsContact O-O 3.08Å; R40-T42 PolarHBondContact O-N 2.84Å; R40-T42 PolarHBondContact NH1-OG1 2.85Å; R40-T42 PolarHBondContact NH1-O 2.74Å; R40-T42 WeakPolarHBondContact CG-O 2.93Å; R40-T42 WeakPolarHBondContact CD-O 2.8Å; R40-T42 WeakPolarHBondContact CB-O 3.34Å; R40-T42 VanDerWaalsContact C-O 3.32Å; R40-T42 CarbonylContact C-O 3.32Å |
| 43 | P | 72.6 | Confident | 68.2 | Low | 102 Ų | 102 | 124.5 Ų | 124.5 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | | | trans | -59.3 | 151 | 166.3 | 23.3 | -30.6 | 0 | 0 | 0 | 109.7 | R40 T45 | R40-P43 PolarHBondContact NH1-O 2.64Å; P43-T45 PolarHBondContact O-N 2.79Å; P43-T45 VanDerWaalsContact O-N 3.15Å |
| 44 | P | 65.3 | Low | 68.5 | Low | 79 Ų | 79 | 120.8 Ų | 120.8 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | | | trans | -51.4 | 129 | 172.9 | 25.4 | -31.5 | 0 | 0 | 0 | 108 | R40 M46 | R40-P44 VanDerWaalsContact NH1-CA 3.33Å; P44-M46 PolarHBondContact O-N 2.61Å |
| 45 | T | 70.9 | Confident | 68.5 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | | | trans | -60.6 | 81.4 | -177.6 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | P43 | P43-T45 PolarHBondContact O-N 2.79Å; P43-T45 VanDerWaalsContact O-N 3.15Å |
| 46 | M | 77.7 | Confident | 68.7 | Low | 157 Ų | 157 | 118.8 Ų | 118.8 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 126.4 | 160.2 | -69.8 | -162 | 68.8 | 0 | 0 | 105.4 | P44 | P44-M46 PolarHBondContact O-N 2.61Š|
| 47 | P | 74.4 | Confident | 69 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141.9 | 168.5 | 25.7 | -32.3 | 0 | 0 | 0 | 107.8 | | |
| 48 | P | 74.7 | Confident | 69 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.3 | 173 | 24.3 | -32.9 | 0 | 0 | 0 | 108.5 | | |
| 49 | P | 78.1 | Confident | 69.2 | Low | 105 Ų | 105 | 120.8 Ų | 120.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143 | 174.1 | 24.7 | -33 | 0 | 0 | 0 | 108.4 | T51 | P49-T51 PolarHBondContact O-N 2.74Š|
| 50 | P | 77.8 | Confident | 69.3 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.1 | 176.5 | 23.2 | -31.6 | 0 | 0 | 0 | 107.8 | T52 | P50-T52 PolarHBondContact O-N 3.37Š|
| 51 | T | 68.9 | Low | 69.4 | Low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | | | trans | -69.4 | 87.8 | 172.2 | 47.3 | 0 | 0 | 0 | 0 | 107 | P49 Q53 | P49-T51 PolarHBondContact O-N 2.74Å; T51-Q53 PolarHBondContact O-N 2.73Å |
| 52 | T | 67.6 | Low | 69.9 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | | | trans | -69.5 | 77.3 | 165.9 | -54.6 | 0 | 0 | 0 | 0 | 107.1 | P50 G54 | P50-T52 PolarHBondContact O-N 3.37Å; T52-G54 PolarHBondContact O-N 3.1Å; T52-G54 VanDerWaalsContact O-N 3.08Å |
| 53 | Q | 65.9 | Low | 70 | Confident | 179 Ų | 179 | 121.5 Ų | 121.5 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | | | trans | -64.9 | 104.4 | 145.9 | -81.6 | -177.5 | 13.1 | 0 | 0 | 103.6 | T51 A55 | T51-Q53 PolarHBondContact O-N 2.73Å; Q53-A55 PolarHBondContact O-N 2.68Å |
| 54 | G | 65.5 | Low | 69.9 | Low | 58 Ų | 58 | 123.1 Ų | 123.1 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | | | trans | -39.6 | 119 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | T52 | T52-G54 PolarHBondContact O-N 3.1Å; T52-G54 VanDerWaalsContact O-N 3.08Å |
| 55 | A | 62.4 | Low | 70.2 | Confident | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | | | trans | -43.8 | 132.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q53 R57 | Q53-A55 PolarHBondContact O-N 2.68Å; A55-R57 PolarHBondContact O-N 3.24Å |
| 56 | P | 63.8 | Low | 70.1 | Confident | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -47.5 | 111.6 | 175.7 | -23.7 | 31.3 | 0 | 0 | 0 | 105.9 | T58 | P56-T58 VanDerWaalsContact C-N 3.29Å; P56-T58 PolarHBondContact O-N 3.44Å |
| 57 | R | 67.8 | Low | 69.8 | Low | 243 Ų | 243 | 127.5 Ų | 127.5 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -61.5 | 108.2 | 179.3 | -57.9 | -173.2 | 91.2 | 142.7 | 4.7 | 102.2 | A55 S59 | A55-R57 PolarHBondContact O-N 3.24Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.87Å |
| 58 | T | 65.5 | Low | 69.5 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -57.9 | 107.3 | -180 | 52.2 | 0 | 0 | 0 | 0 | 104.1 | P56 S60 | P56-T58 VanDerWaalsContact C-N 3.29Å; P56-T58 PolarHBondContact O-N 3.44Å; T58-S60 PolarHBondContact O-N 3.01Å |
| 59 | S | 66.9 | Low | 69.2 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -65.6 | 94.5 | 165.4 | 169.9 | 0 | 0 | 0 | 0 | 102.9 | R57 F61 | R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.87Å; S59-F61 PolarHBondContact O-N 3.22Å |
| 60 | S | 69.4 | Low | 68.6 | Low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -70.2 | 83.1 | 177.3 | 58.4 | 0 | 0 | 0 | 0 | 106.7 | T58 T62 | T58-S60 PolarHBondContact O-N 3.01Å; S60-T62 PolarHBondContact O-N 2.93Å |
| 61 | F | 67.7 | Low | 68 | Low | 167 Ų | 167 | 132.6 Ų | 132.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -89.4 | 97.8 | 164.6 | -169.1 | -100.5 | 0 | 0 | 0 | 107 | S59 P63 | S59-F61 PolarHBondContact O-N 3.22Å; F61-P63 HydrophobicContact CD1-CB 4.39Å; F61-P63 HydrophobicContact CD1-CG 4.45Å; F61-P63 HydrophobicContact CE1-CB 3.85Å; F61-P63 HydrophobicContact CE1-CG 4.35Å; F61-P63 VanDerWaalsContact O-CD 3.24Å; F61-P63 WeakPolarHBondContact O-CD 3.39Å |
| 62 | T | 76.4 | Confident | 68 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | | | trans | -88.8 | 107.4 | 163.7 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | S60 T64 | S60-T62 PolarHBondContact O-N 2.93Å; T62-T64 PolarHBondContact O-N 2.71Å |
| 63 | P | 69.8 | Low | 68 | Low | 96 Ų | 96 | 133.5 Ų | 133.5 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | 115.7 | 167.3 | 27.5 | -28.6 | 0 | 0 | 0 | 108.7 | F61 | F61-P63 HydrophobicContact CD1-CB 4.39Å; F61-P63 HydrophobicContact CD1-CG 4.45Å; F61-P63 HydrophobicContact CE1-CB 3.85Å; F61-P63 HydrophobicContact CE1-CG 4.35Å; F61-P63 VanDerWaalsContact O-CD 3.24Å; F61-P63 WeakPolarHBondContact O-CD 3.39Å |
| 64 | T | 71.8 | Confident | 68.2 | Low | 137 Ų | 137 | 129.7 Ų | 129.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -80.6 | 133.4 | 168.1 | -42.9 | 0 | 0 | 0 | 0 | 108.5 | T62 | T62-T64 PolarHBondContact O-N 2.71Š|
| 65 | T | 70.8 | Confident | 68.4 | Low | 205 Ų | 205 | 136.2 Ų | 136.2 | 100% | 1.258 | 80% | 0.796 | S | S | * | * | | | trans | -99.7 | 0 | 170.5 | -30.3 | 0 | 0 | 0 | 0 | 109.9 | | |