| 1 | M | 44.9 | Very low | 62.8 | Low | 240 Ų | 240 | 121.8 Ų | 121.8 | 100% | 1.182 | 78% | 0.78 | S | S | * | * | | | | 0 | 106.9 | 0 | -77.5 | 150.6 | 65.5 | 0 | 0 | 107.6 | | |
| 2 | N | 57.3 | Low | 62.4 | Low | 171 Ų | 171 | 125 Ų | 125 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | trans | -86.1 | 108.9 | 174 | -79.5 | -60.1 | 0 | 0 | 0 | 107.5 | G4 | N2-G4 VanDerWaalsContact O-N 3.07Å; N2-G4 PolarHBondContact O-N 2.97Å |
| 3 | A | 62 | Low | 62.5 | Low | 102 Ų | 102 | 130.7 Ų | 130.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -64.1 | 109.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 4 | G | 66 | Low | 62.6 | Low | 54 Ų | 54 | 129.9 Ų | 129.9 | 56% | 0.557 | 77% | 0.771 | S | S | * | * | | | trans | -56.8 | 163 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N2 G6 | N2-G4 VanDerWaalsContact O-N 3.07Å; N2-G4 PolarHBondContact O-N 2.97Å; G4-G6 PolarHBondContact O-N 3.28Å |
| 5 | P | 63.9 | Low | 63 | Low | 139 Ų | 139 | 136.9 Ų | 136.9 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -55.5 | 113.1 | -173.9 | 24.1 | -32.3 | 0 | 0 | 0 | 109 | | |
| 6 | G | 66.6 | Low | 63 | Low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -56.2 | 140.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G4 E8 | G4-G6 PolarHBondContact O-N 3.28Å; G6-E8 PolarHBondContact O-N 3.41Å |
| 7 | C | 67.5 | Low | 62.8 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | | | trans | -58.7 | 109.4 | 170 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 8 | E | 70.7 | Confident | 62.5 | Low | 121 Ų | 121 | 137.8 Ų | 137.8 | 57% | 0.565 | 79% | 0.787 | S | S | * | * | | | trans | -49.2 | 135 | 171.8 | -102.3 | -82.1 | 130 | 0 | 0 | 109.4 | G6 C10 K12 | G6-E8 PolarHBondContact O-N 3.41Å; E8-C10 PolarHBondContact O-N 3.32Å; E8-K12 VanDerWaalsContact OE2-CD 3.32Å; E8-K12 WeakPolarHBondContact OE2-CD 3.28Å |
| 9 | P | 67.4 | Low | 62.5 | Low | 78 Ų | 78 | 135 Ų | 135 | 51% | 0.506 | 78% | 0.783 | S | S | . | * | | | trans | -58.1 | 130.7 | -178.8 | 24 | -32.2 | 0 | 0 | 0 | 109.6 | T11 K12 | P9-T11 PolarHBondContact O-N 3.37Å; P9-K12 PolarHBondContact O-N 3.35Å; P9-K12 VanDerWaalsContact O-N 3.1Å |
| 10 | C | 65.6 | Low | 62.2 | Low | 106 Ų | 106 | 134.2 Ų | 134.2 | 72% | 0.716 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -60.8 | -0.3 | -177.9 | -155.3 | 0 | 0 | 0 | 0 | 113.4 | E8 K12 R13 | E8-C10 PolarHBondContact O-N 3.32Å; C10-K12 VanDerWaalsContact C-N 3.34Å; C10-R13 PolarHBondContact O-N 2.91Å |
| 11 | T | 59.1 | Low | 62 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -75.1 | -15.9 | 173.1 | 53 | 0 | 0 | 0 | 0 | 113.8 | P9 | P9-T11 PolarHBondContact O-N 3.37Š|
| 12 | K | 58.3 | Low | 62.6 | Low | 160 Ų | 160 | 126.5 Ų | 126.5 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -88 | -4 | 172.7 | -146.8 | 179 | -173.3 | 179.5 | 0 | 113.6 | E8 P9 C10 P14 | E8-K12 VanDerWaalsContact OE2-CD 3.32Å; E8-K12 WeakPolarHBondContact OE2-CD 3.28Å; P9-K12 PolarHBondContact O-N 3.35Å; P9-K12 VanDerWaalsContact O-N 3.1Å; C10-K12 VanDerWaalsContact C-N 3.34Å; K12-P14 WeakPolarHBondContact O-CD 3.33Å |
| 13 | R | 62.7 | Low | 62.7 | Low | 199 Ų | 199 | 124.1 Ų | 124.1 | 75% | 0.751 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -81 | 121.3 | 165.4 | -81.5 | -177.5 | -173.6 | -112.5 | -0.3 | 107.8 | C10 R15 | C10-R13 PolarHBondContact O-N 2.91Å; R13-R15 PolarHBondContact O-N 2.8Å |
| 14 | P | 64 | Low | 62.9 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.1 | 166.8 | 21.5 | -28.3 | 0 | 0 | 0 | 107.2 | K12 W16 | K12-P14 WeakPolarHBondContact O-CD 3.33Å; P14-W16 VanDerWaalsContact O-N 3.08Å; P14-W16 PolarHBondContact O-N 3.16Å |
| 15 | R | 69.6 | Low | 62.9 | Low | 236 Ų | 236 | 125.7 Ų | 125.7 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 119.7 | 166.5 | -177.2 | 176.5 | -174.3 | 139.8 | -0.1 | 105.3 | R13 G17 | R13-R15 PolarHBondContact O-N 2.8Å; R15-G17 WeakPolarHBondContact O-CA 3.49Å; R15-G17 PolarHBondContact O-N 3.1Å |
| 16 | W | 62.8 | Low | 62.9 | Low | 265 Ų | 265 | 124.9 Ų | 124.9 | 100% | 1.004 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -35.8 | 109.4 | 174.5 | -77.8 | 55.8 | 0 | 0 | 0 | 109.2 | P14 | P14-W16 VanDerWaalsContact O-N 3.08Å; P14-W16 PolarHBondContact O-N 3.16Å |
| 17 | G | 59.7 | Low | 62.9 | Low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | trans | -175.6 | -17.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R15 A19 | R15-G17 WeakPolarHBondContact O-CA 3.49Å; R15-G17 PolarHBondContact O-N 3.1Å; G17-A19 VanDerWaalsContact C-N 3.26Å; G17-A19 PolarHBondContact O-N 2.84Å |
| 18 | A | 57.5 | Low | 62.9 | Low | 92 Ų | 92 | 124.6 Ų | 124.6 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | | | trans | -91.1 | 72.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | T20 | A18-T20 PolarHBondContact O-N 3.08Š|
| 19 | A | 61.2 | Low | 62.9 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | | | trans | -64.4 | 96.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 103.9 | G17 T21 | G17-A19 VanDerWaalsContact C-N 3.26Å; G17-A19 PolarHBondContact O-N 2.84Å; A19-T21 PolarHBondContact O-N 2.83Å |
| 20 | T | 57.9 | Low | 62.8 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | | | trans | -59.1 | 95.5 | 160.9 | -50.4 | 0 | 0 | 0 | 0 | 103.7 | A18 S22 | A18-T20 PolarHBondContact O-N 3.08Å; T20-S22 PolarHBondContact O-N 3.07Å |
| 21 | T | 57.2 | Low | 62.9 | Low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | -66.3 | 83.5 | 166.6 | -41.4 | 0 | 0 | 0 | 0 | 103.7 | A19 | A19-T21 PolarHBondContact O-N 2.83Š|
| 22 | S | 58.4 | Low | 63 | Low | 86 Ų | 86 | 127.8 Ų | 127.8 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 128.6 | 165.5 | -63 | 0 | 0 | 0 | 0 | 105.1 | T20 A24 | T20-S22 PolarHBondContact O-N 3.07Å; S22-A24 PolarHBondContact O-N 3.01Å |
| 23 | P | 58.7 | Low | 63.3 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 125.2 | 178.3 | 18.9 | -29.6 | 0 | 0 | 0 | 106.7 | A25 | P23-A25 PolarHBondContact O-N 2.85Š|
| 24 | A | 65.9 | Low | 63.4 | Low | 94 Ų | 94 | 125.6 Ų | 125.6 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.6 | 179 | 0 | 0 | 0 | 0 | 0 | 106.5 | S22 S26 | S22-A24 PolarHBondContact O-N 3.01Å; A24-S26 PolarHBondContact O-N 2.85Å |
| 25 | A | 66.1 | Low | 63.5 | Low | 94 Ų | 94 | 126.1 Ų | 126.1 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | | | trans | -45 | 132.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P23 D27 | P23-A25 PolarHBondContact O-N 2.85Å; A25-D27 VanDerWaalsContact C-N 3.35Å; A25-D27 PolarHBondContact O-N 2.92Å |
| 26 | S | 63.7 | Low | 63.4 | Low | 123 Ų | 123 | 125.9 Ų | 125.9 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | | | trans | -52.8 | 99.2 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | A24 A28 | A24-S26 PolarHBondContact O-N 2.85Å; S26-A28 PolarHBondContact O-N 3.24Å |
| 27 | D | 66.4 | Low | 63.7 | Low | 87 Ų | 87 | 124.7 Ų | 124.7 | 47% | 0.465 | 72% | 0.724 | S | S | . | * | | | trans | -66.1 | 125.2 | 175.4 | -176.2 | -5.8 | 0 | 0 | 0 | 106.8 | A25 R29 S30 | A25-D27 VanDerWaalsContact C-N 3.35Å; A25-D27 PolarHBondContact O-N 2.92Å; D27-R29 PolarHBondContact O-N 3.01Å; D27-R29 WeakPolarHBondContact OD1-CB 3.49Å; D27-R29 PolarHBondContact OD1-N 3.07Å; D27-R29 IonicContact OD1-NE 3.56Å; D27-R29 IonicContact OD2-NE 3.99Å; D27-S30 WeakPolarHBondContact O-CB 3.49Å; D27-S30 PolarHBondContact O-N 3.28Å |
| 28 | A | 67.1 | Low | 64 | Low | 108 Ų | 108 | 128.1 Ų | 128.1 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S26 | S26-A28 PolarHBondContact O-N 3.24Š|
| 29 | R | 70.9 | Confident | 64.4 | Low | 199 Ų | 199 | 128.2 Ų | 128.2 | 75% | 0.751 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 6 | 174 | -63.7 | 177.9 | -76.7 | -162.9 | -5.3 | 114 | D27 F31 | D27-R29 PolarHBondContact O-N 3.01Å; D27-R29 WeakPolarHBondContact OD1-CB 3.49Å; D27-R29 PolarHBondContact OD1-N 3.07Å; D27-R29 IonicContact OD1-NE 3.56Å; D27-R29 IonicContact OD2-NE 3.99Å; R29-F31 WeakPolarHBondContact O-CD2 3.49Å; R29-F31 PolarHBondContact O-N 3.1Å |
| 30 | S | 65.8 | Low | 64.8 | Low | 53 Ų | 53 | 127.9 Ų | 127.9 | 37% | 0.371 | 71% | 0.705 | S | S | . | * | | | trans | -73.3 | 107.5 | 176.4 | -179 | 0 | 0 | 0 | 0 | 110.8 | D27 | D27-S30 WeakPolarHBondContact O-CB 3.49Å; D27-S30 PolarHBondContact O-N 3.28Å |
| 31 | F | 67 | Low | 65.1 | Low | 137 Ų | 137 | 127.1 Ų | 127.1 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | | | trans | -65.8 | 140.5 | 171.1 | -69.3 | -87.9 | 0 | 0 | 0 | 110.9 | R29 S33 R34 Q35 | R29-F31 WeakPolarHBondContact O-CD2 3.49Å; R29-F31 PolarHBondContact O-N 3.1Å; F31-S33 PolarHBondContact O-N 2.97Å; F31-S33 VanDerWaalsContact O-N 3.08Å; F31-R34 WeakPolarHBondContact O-CA 3.32Å; F31-R34 PolarHBondContact O-N 3.49Å; F31-Q35 PolarHBondContact O-N 2.89Å |
| 32 | P | 62.7 | Low | 65.6 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -55.9 | -29.7 | 178.7 | -23.7 | 31.4 | 0 | 0 | 0 | 113.1 | R34 Q35 | P32-R34 VanDerWaalsContact C-N 3.28Å; P32-R34 PolarHBondContact O-N 2.79Å; P32-Q35 PolarHBondContact O-N 3.37Å |
| 33 | S | 65.1 | Low | 65.9 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -70 | -20.2 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | F31 | F31-S33 PolarHBondContact O-N 2.97Å; F31-S33 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 63.3 | Low | 66.2 | Low | 202 Ų | 202 | 126.2 Ų | 126.2 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -97.9 | -5.7 | 176.2 | -74.6 | -171.7 | -178.9 | -87.5 | 1.1 | 113.3 | F31 P32 R36 | F31-R34 WeakPolarHBondContact O-CA 3.32Å; F31-R34 PolarHBondContact O-N 3.49Å; P32-R34 VanDerWaalsContact C-N 3.28Å; P32-R34 PolarHBondContact O-N 2.79Å; R34-R36 PolarHBondContact O-N 3.08Å |
| 35 | Q | 67.5 | Low | 66 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -68.7 | 102.7 | 168.3 | -73.6 | -172.9 | 3.6 | 0 | 0 | 108 | F31 P32 R37 | F31-Q35 PolarHBondContact O-N 2.89Å; P32-Q35 PolarHBondContact O-N 3.37Å; Q35-R37 PolarHBondContact O-N 2.76Å |
| 36 | R | 66.9 | Low | 66 | Low | 231 Ų | 231 | 130.3 Ų | 130.3 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | | | trans | -57 | 113.6 | 173.1 | -126.7 | 170.3 | 66.5 | 143.6 | 0.4 | 106.8 | R34 V38 | R34-R36 PolarHBondContact O-N 3.08Å; R36-V38 PolarHBondContact O-N 2.97Å |
| 37 | R | 68.7 | Low | 65.9 | Low | 240 Ų | 240 | 131.7 Ų | 131.7 | 91% | 0.906 | 66% | 0.663 | S | S | * | * | | | trans | -55.7 | 116.3 | 171.6 | -63.1 | -175.6 | -164.4 | 122.2 | 2.5 | 106.6 | Q35 L39 | Q35-R37 PolarHBondContact O-N 2.76Å; R37-L39 PolarHBondContact O-N 2.85Å |
| 38 | V | 65.4 | Low | 65.8 | Low | 141 Ų | 141 | 135.2 Ų | 135.2 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | | | trans | -65.7 | 105.8 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 105 | R36 D40 | R36-V38 PolarHBondContact O-N 2.97Å; V38-D40 PolarHBondContact O-N 3.2Å |
| 39 | L | 67.2 | Low | 65.9 | Low | 94 Ų | 94 | 141.5 Ų | 141.5 | 49% | 0.492 | 68% | 0.675 | S | S | . | * | | | trans | -66.1 | 123.7 | 174.1 | -175.5 | 62.8 | 0 | 0 | 0 | 106.8 | R37 P41 D43 A44 | R37-L39 PolarHBondContact O-N 2.85Å; L39-P41 WeakPolarHBondContact O-CD 3.43Å; L39-D43 HydrophobicContact CD1-CB 4.03Å; L39-A44 HydrophobicContact CD2-CB 3.91Å; L39-A44 HydrophobicContact CG-CB 4.21Å |
| 40 | D | 69.1 | Low | 65.7 | Low | 78 Ų | 78 | 137 Ų | 137 | 42% | 0.417 | 67% | 0.669 | S | S | . | * | | | trans | -55.5 | 127.7 | 173.9 | -177.9 | -2.9 | 0 | 0 | 0 | 107.8 | V38 K42 D43 A44 | V38-D40 PolarHBondContact O-N 3.2Å; D40-K42 PolarHBondContact O-N 2.98Å; D40-K42 PolarHBondContact OD1-N 2.92Å; D40-D43 HydrophobicContact CB-CB 4.23Å; D40-D43 WeakPolarHBondContact CB-OD2 3.45Å; D40-D43 CarbonylContact O-C 3.54Å; D40-D43 WeakPolarHBondContact O-CA 3.43Å; D40-D43 PolarHBondContact O-N 3.01Å; D40-A44 PolarHBondContact O-N 3.4Å |
| 41 | P | 64.6 | Low | 65.8 | Low | 102 Ų | 102 | 139.1 Ų | 139.1 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | -27.6 | 172.2 | -29.5 | 35.9 | 0 | 0 | 0 | 113.8 | L39 D43 A44 | L39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-D43 VanDerWaalsContact C-N 3.35Å; P41-A44 PolarHBondContact O-N 3.43Å |
| 42 | K | 67.2 | Low | 65.6 | Low | 161 Ų | 161 | 138.7 Ų | 138.7 | 70% | 0.7 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -19.6 | 173.6 | -61.5 | -150 | 179.1 | -166.1 | 0 | 114.6 | D40 H45 | D40-K42 PolarHBondContact O-N 2.98Å; D40-K42 PolarHBondContact OD1-N 2.92Å; K42-H45 PolarHBondContact O-CD2 2.82Å; K42-H45 PolarHBondContact O-NE2 3.05Å |
| 43 | D | 65.3 | Low | 65.8 | Low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -5.3 | 172.4 | -64.9 | -39.5 | 0 | 0 | 0 | 111.8 | L39 D40 P41 H45 | L39-D43 HydrophobicContact CD1-CB 4.03Å; D40-D43 HydrophobicContact CB-CB 4.23Å; D40-D43 WeakPolarHBondContact CB-OD2 3.45Å; D40-D43 CarbonylContact O-C 3.54Å; D40-D43 WeakPolarHBondContact O-CA 3.43Å; D40-D43 PolarHBondContact O-N 3.01Å; P41-D43 VanDerWaalsContact C-N 3.35Å; D43-H45 VanDerWaalsContact C-N 3.27Å; D43-H45 PolarHBondContact O-N 3.06Å |
| 44 | A | 63.9 | Low | 65.7 | Low | 33 Ų | 33 | 138.8 Ų | 138.8 | 27% | 0.273 | 70% | 0.696 | S | S | . | * | | | trans | -86.9 | 20 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L39 D40 P41 V46 | L39-A44 HydrophobicContact CD2-CB 3.91Å; L39-A44 HydrophobicContact CG-CB 4.21Å; D40-A44 PolarHBondContact O-N 3.4Å; P41-A44 PolarHBondContact O-N 3.43Å; A44-V46 PolarHBondContact O-N 2.99Å |
| 45 | H | 61.4 | Low | 65.5 | Low | 158 Ų | 158 | 134.5 Ų | 134.5 | 73% | 0.731 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -6.2 | -169.7 | -82.6 | -65.8 | 0 | 0 | 0 | 115.7 | K42 D43 | K42-H45 PolarHBondContact O-CD2 2.82Å; K42-H45 PolarHBondContact O-NE2 3.05Å; D43-H45 VanDerWaalsContact C-N 3.27Å; D43-H45 PolarHBondContact O-N 3.06Å |
| 46 | V | 66.1 | Low | 65 | Low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | 63.1 | 176.6 | -160.7 | 0 | 0 | 0 | 0 | 111.3 | A44 F48 | A44-V46 PolarHBondContact O-N 2.99Å; V46-F48 PolarHBondContact O-N 3.35Å |
| 47 | Q | 63.4 | Low | 64.8 | Low | 152 Ų | 152 | 127.2 Ų | 127.2 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | | | trans | -73 | 84.2 | 156.5 | -65.7 | -68.7 | 71.6 | 0 | 0 | 107.6 | R49 | Q47-R49 PolarHBondContact O-N 3Š|
| 48 | F | 63.1 | Low | 64.6 | Low | 161 Ų | 161 | 121.3 Ų | 121.3 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | | | trans | -54.1 | 111.4 | 174.8 | -170.2 | -95.6 | 0 | 0 | 0 | 107.8 | V46 V50 | V46-F48 PolarHBondContact O-N 3.35Å; F48-V50 PolarHBondContact O-N 2.93Å; F48-V50 HydrophobicContact CD1-CG2 3.68Å; F48-V50 HydrophobicContact CE1-CG2 4.2Å |
| 49 | R | 68.5 | Low | 64.4 | Low | 239 Ų | 239 | 120.5 Ų | 120.5 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | | | trans | -71.8 | 87.9 | 173 | -72.9 | -174.6 | -165.7 | -175.6 | 4.7 | 107.3 | Q47 P51 | Q47-R49 PolarHBondContact O-N 3Å; R49-P51 VanDerWaalsContact O-CD 3.28Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å |
| 50 | V | 67.7 | Low | 64.1 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | trans | -58.3 | 116.7 | 165.4 | -176.9 | 0 | 0 | 0 | 0 | 106.1 | F48 | F48-V50 PolarHBondContact O-N 2.93Å; F48-V50 HydrophobicContact CD1-CG2 3.68Å; F48-V50 HydrophobicContact CE1-CG2 4.2Å |
| 51 | P | 67.6 | Low | 63.8 | Low | 98 Ų | 98 | 127.3 Ų | 127.3 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | trans | -58.2 | 134.2 | 168.7 | -13.9 | 27.1 | 0 | 0 | 0 | 106.6 | R49 S53 | R49-P51 VanDerWaalsContact O-CD 3.28Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å; P51-S53 PolarHBondContact O-N 3Å |
| 52 | P | 63.5 | Low | 63.8 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | -56.6 | 110.8 | 173.9 | 23.8 | -31.6 | 0 | 0 | 0 | 107.6 | S54 | P52-S54 PolarHBondContact O-N 3.03Š|
| 53 | S | 66.3 | Low | 63.6 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | trans | -67.4 | 111.4 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 106.6 | P51 | P51-S53 PolarHBondContact O-N 3Š|
| 54 | S | 63.7 | Low | 63.5 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -58.9 | 163 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 112 | P52 | P52-S54 PolarHBondContact O-N 3.03Š|
| 55 | P | 57.8 | Low | 63.4 | Low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -106.9 | 164.5 | -12 | 35.5 | -22.4 | 0 | 0 | 0 | 111.2 | C57 | P55-C57 PolarHBondContact O-N 2.72Å; P55-C57 VanDerWaalsContact O-N 3.16Å |
| 56 | A | 58.7 | Low | 63.4 | Low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -42.3 | 121.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V58 | A56-V58 PolarHBondContact O-N 3Š|
| 57 | C | 62 | Low | 63.1 | Low | 123 Ų | 123 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -62.5 | 93.3 | 154.5 | -177.5 | 0 | 0 | 0 | 0 | 105.7 | P55 P59 | P55-C57 PolarHBondContact O-N 2.72Å; P55-C57 VanDerWaalsContact O-N 3.16Å; C57-P59 WeakPolarHBondContact O-CD 3.49Å |
| 58 | V | 64.9 | Low | 62.9 | Low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | trans | -54.4 | 121.6 | 166.2 | -96.9 | 0 | 0 | 0 | 0 | 106.2 | A56 G60 | A56-V58 PolarHBondContact O-N 3Å; V58-G60 PolarHBondContact O-N 3.36Å |
| 59 | P | 60 | Low | 62.7 | Low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -55 | 109.7 | 171.3 | -23 | 33.5 | 0 | 0 | 0 | 107 | C57 R61 | C57-P59 WeakPolarHBondContact O-CD 3.49Å; P59-R61 PolarHBondContact O-N 3.04Å; P59-R61 VanDerWaalsContact O-N 3.08Å |
| 60 | G | 60.7 | Low | 62.2 | Low | 70 Ų | 70 | 122.8 Ų | 122.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -51 | 120.9 | -177 | 0 | 0 | 0 | 0 | 0 | 108.4 | V58 A62 | V58-G60 PolarHBondContact O-N 3.36Å; G60-A62 VanDerWaalsContact C-N 3.35Å; G60-A62 PolarHBondContact O-N 3.42Å |
| 61 | R | 64.4 | Low | 62.1 | Low | 245 Ų | 245 | 123.1 Ų | 123.1 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -57.9 | 106.3 | 165.7 | -155.6 | -179.4 | -164 | -153.2 | 4.7 | 104.7 | P59 G63 | P59-R61 PolarHBondContact O-N 3.04Å; P59-R61 VanDerWaalsContact O-N 3.08Å; R61-G63 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.36Å |
| 62 | A | 63.1 | Low | 61.9 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -55 | 104.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | G60 | G60-A62 VanDerWaalsContact C-N 3.35Å; G60-A62 PolarHBondContact O-N 3.42Å |
| 63 | G | 63.3 | Low | 61.7 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | -58.5 | 143.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R61 H65 | R61-G63 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.36Å; G63-H65 PolarHBondContact O-N 3.25Å; G63-H65 VanDerWaalsContact O-N 3.1Å |
| 64 | Q | 64.3 | Low | 61.3 | Low | 195 Ų | 195 | 127.1 Ų | 127.1 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -44.1 | 116.9 | -177.6 | -65.5 | 163.6 | -56 | 0 | 0 | 110.5 | R66 | Q64-R66 PolarHBondContact O-N 2.75Š|
| 65 | H | 61.9 | Low | 61.1 | Low | 169 Ų | 169 | 131 Ų | 131 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | trans | -61.7 | 110.3 | 172.4 | 117.9 | -94.7 | 0 | 0 | 0 | 107 | G63 | G63-H65 PolarHBondContact O-N 3.25Å; G63-H65 VanDerWaalsContact O-N 3.1Å |
| 66 | R | 59.9 | Low | 60.8 | Low | 244 Ų | 244 | 132.3 Ų | 132.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -78.6 | 122 | 172.3 | -151.5 | -179.8 | -173.7 | -169.4 | 1.3 | 106 | Q64 | Q64-R66 PolarHBondContact O-N 2.75Š|
| 67 | G | 59.9 | Low | 61 | Low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | | | trans | -50.6 | 138.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 68 | S | 58.8 | Low | 61 | Low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | trans | -105.9 | 93.3 | 160 | -170.3 | 0 | 0 | 0 | 0 | 106.9 | T70 | S68-T70 PolarHBondContact O-N 3.08Š|
| 69 | A | 60.1 | Low | 60.8 | Low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -76.8 | 100.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S71 | A69-S71 PolarHBondContact O-N 3.33Š|
| 70 | T | 57.9 | Low | 60.8 | Low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | -85.4 | 100.4 | 165.3 | 53 | 0 | 0 | 0 | 0 | 107.9 | S68 L72 | S68-T70 PolarHBondContact O-N 3.08Å; T70-L72 PolarHBondContact O-N 3.02Å |
| 71 | S | 64.9 | Low | 60.8 | Low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -60.4 | 120 | 168.8 | -48.5 | 0 | 0 | 0 | 0 | 109.3 | A69 | A69-S71 PolarHBondContact O-N 3.33Š|
| 72 | L | 64.2 | Low | 60.6 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | -99.1 | 97.4 | 168.3 | -100.4 | 141 | 0 | 0 | 0 | 107.7 | T70 V74 | T70-L72 PolarHBondContact O-N 3.02Å; L72-V74 HydrophobicContact CD2-CG2 4.48Å; L72-V74 PolarHBondContact O-N 2.84Å |
| 73 | D | 59 | Low | 60.4 | Low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -83.4 | 95.7 | 167.2 | -119.8 | -63.7 | 0 | 0 | 0 | 108.1 | K75 | D73-K75 PolarHBondContact O-N 2.97Š|
| 74 | V | 58.8 | Low | 60.2 | Low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | | | trans | -84.4 | 98.4 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | L72 | L72-V74 HydrophobicContact CD2-CG2 4.48Å; L72-V74 PolarHBondContact O-N 2.84Å |
| 75 | K | 58.4 | Low | 59.9 | Low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -88.1 | 104.3 | 166.4 | -179.2 | 169.7 | 166.2 | -178.9 | 0 | 108.9 | D73 | D73-K75 PolarHBondContact O-N 2.97Š|
| 76 | N | 51.9 | Low | 59.7 | Low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | trans | -77.9 | 139.6 | 172.3 | -120.5 | 7.4 | 0 | 0 | 0 | 110.4 | | |
| 77 | P | 63 | Low | 59.7 | Low | 187 Ų | 187 | 129.8 Ų | 129.8 | 100% | 1.214 | 80% | 0.797 | S | S | * | * | | | trans | -75.7 | 0 | 161.2 | 32.3 | -32.1 | 0 | 0 | 0 | 112.4 | | |