| 1 | M | 43.2 | Very low | 66.4 | Low | 241 Ų | 241 | 117.7 Ų | 117.7 | 100% | 1.187 | 76% | 0.757 | S | S | * | * | | | | 0 | 112.5 | 0 | -73.5 | 153.4 | 67.7 | 0 | 0 | 107.3 | | |
| 2 | N | 59.8 | Low | 66.5 | Low | 170 Ų | 170 | 119.8 Ų | 119.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | trans | -90.7 | 105.8 | 176.4 | -69.8 | -47.2 | 0 | 0 | 0 | 107.7 | G4 | N2-G4 PolarHBondContact O-N 2.87Å; N2-G4 VanDerWaalsContact O-N 3.1Å |
| 3 | A | 64.4 | Low | 66.5 | Low | 103 Ų | 103 | 124 Ų | 124 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | trans | -65.1 | 110.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 4 | G | 67.1 | Low | 66.7 | Low | 54 Ų | 54 | 122.3 Ų | 122.3 | 56% | 0.557 | 73% | 0.733 | S | S | * | * | | | trans | -58.1 | 165 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N2 G6 | N2-G4 PolarHBondContact O-N 2.87Å; N2-G4 VanDerWaalsContact O-N 3.1Å; G4-G6 PolarHBondContact O-N 3.11Å |
| 5 | P | 68.4 | Low | 66.9 | Low | 141 Ų | 141 | 130.3 Ų | 130.3 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | | | trans | -56.7 | 113.9 | -174 | 23.8 | -32.3 | 0 | 0 | 0 | 109.8 | | |
| 6 | G | 73 | Confident | 66.7 | Low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G4 E8 | G4-G6 PolarHBondContact O-N 3.11Å; G6-E8 PolarHBondContact O-N 2.95Å |
| 7 | C | 71.6 | Confident | 66.6 | Low | 114 Ų | 114 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.8 | 170.3 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 8 | E | 75.9 | Confident | 66.1 | Low | 95 Ų | 95 | 131.2 Ų | 131.2 | 44% | 0.444 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 134 | 175.2 | -111.8 | -78.3 | 147.7 | 0 | 0 | 110 | G6 C10 K12 | G6-E8 PolarHBondContact O-N 2.95Å; E8-C10 PolarHBondContact O-N 3.29Å; E8-K12 WeakPolarHBondContact OE1-CD 3.35Å; E8-K12 IonicContact OE1-NZ 2.82Å; E8-K12 PolarHBondContact OE1-NZ 2.92Å; E8-K12 WeakPolarHBondContact OE2-CB 3.44Å; E8-K12 WeakPolarHBondContact OE2-CD 2.86Å; E8-K12 IonicContact OE2-NZ 3.92Å |
| 9 | P | 74.9 | Confident | 65.9 | Low | 68 Ų | 68 | 128.9 Ų | 128.9 | 44% | 0.442 | 75% | 0.747 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 137 | -175.2 | 19.2 | -31.9 | 0 | 0 | 0 | 112 | T11 K12 | P9-T11 PolarHBondContact O-N 3Å; P9-K12 HydrophobicContact CG-CD 4.28Å; P9-K12 PolarHBondContact O-N 3.32Å |
| 10 | C | 68.4 | Low | 65.5 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -19.6 | -177.7 | -72.5 | 0 | 0 | 0 | 0 | 114.2 | E8 R13 | E8-C10 PolarHBondContact O-N 3.29Å; C10-R13 PolarHBondContact O-N 3.1Å |
| 11 | T | 64.1 | Low | 65 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -24.7 | 175.6 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | P9 | P9-T11 PolarHBondContact O-N 3Š|
| 12 | K | 66.8 | Low | 65.8 | Low | 142 Ų | 142 | 121 Ų | 121 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -9.2 | 172.7 | -85.6 | 179.3 | 175.9 | -174.9 | 0 | 112.9 | E8 P9 P14 | E8-K12 WeakPolarHBondContact OE1-CD 3.35Å; E8-K12 IonicContact OE1-NZ 2.82Å; E8-K12 PolarHBondContact OE1-NZ 2.92Å; E8-K12 WeakPolarHBondContact OE2-CB 3.44Å; E8-K12 WeakPolarHBondContact OE2-CD 2.86Å; E8-K12 IonicContact OE2-NZ 3.92Å; P9-K12 HydrophobicContact CG-CD 4.28Å; P9-K12 PolarHBondContact O-N 3.32Å; K12-P14 WeakPolarHBondContact O-CD 3.22Å |
| 13 | R | 67.1 | Low | 65.7 | Low | 175 Ų | 175 | 118.8 Ų | 118.8 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -72.2 | 122.7 | 171.8 | -80.9 | -175.8 | 173.9 | -130.3 | -0.6 | 109.1 | C10 R15 | C10-R13 PolarHBondContact O-N 3.1Å; R13-R15 PolarHBondContact O-N 3.18Å |
| 14 | P | 68.5 | Low | 65.7 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | | | trans | -58.8 | 132.4 | 172.4 | 22.9 | -30.5 | 0 | 0 | 0 | 109 | K12 W16 | K12-P14 WeakPolarHBondContact O-CD 3.22Å; P14-W16 PolarHBondContact O-N 3.06Å |
| 15 | R | 70.2 | Confident | 65.6 | Low | 243 Ų | 243 | 120.1 Ų | 120.1 | 92% | 0.917 | 72% | 0.721 | S | S | * | * | | | trans | -70.2 | 79.9 | 176.2 | -175.4 | -178.3 | 179 | 130.8 | -1.3 | 108.7 | R13 G17 | R13-R15 PolarHBondContact O-N 3.18Å; R15-G17 PolarHBondContact O-N 3.16Å |
| 16 | W | 64.5 | Low | 65.4 | Low | 263 Ų | 263 | 119.6 Ų | 119.6 | 100% | 0.996 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 54 | 14 | 170.8 | -77.2 | 61.2 | 0 | 0 | 0 | 116.7 | P14 | P14-W16 PolarHBondContact O-N 3.06Š|
| 17 | G | 63.5 | Low | 65 | Low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | | | trans | -118.3 | 67.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R15 | R15-G17 PolarHBondContact O-N 3.16Š|
| 18 | A | 59.1 | Low | 64.8 | Low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | | | trans | 162.2 | 58.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T20 | A18-T20 PolarHBondContact O-N 3.2Å; A18-T20 VanDerWaalsContact O-N 3.13Å |
| 19 | A | 61.2 | Low | 64.4 | Low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | trans | -72.1 | 99.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | T21 | A19-T21 PolarHBondContact O-N 2.83Š|
| 20 | T | 58.3 | Low | 64 | Low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | | | trans | -58.1 | 100.4 | 156.6 | -54.1 | 0 | 0 | 0 | 0 | 104 | A18 S22 | A18-T20 PolarHBondContact O-N 3.2Å; A18-T20 VanDerWaalsContact O-N 3.13Å; T20-S22 PolarHBondContact O-N 3.4Å |
| 21 | T | 56.1 | Low | 63.9 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | trans | -69.7 | 76.7 | 172 | -47.6 | 0 | 0 | 0 | 0 | 105.7 | A19 | A19-T21 PolarHBondContact O-N 2.83Š|
| 22 | S | 57.9 | Low | 63.9 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.9 | 157.7 | -63 | 0 | 0 | 0 | 0 | 105.6 | T20 A24 | T20-S22 PolarHBondContact O-N 3.4Å; S22-A24 PolarHBondContact O-N 2.74Å |
| 23 | P | 59 | Low | 63.9 | Low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -47 | 123 | 174.2 | -23.5 | 31.9 | 0 | 0 | 0 | 106.9 | A25 | P23-A25 PolarHBondContact O-N 2.83Š|
| 24 | A | 64.3 | Low | 63.6 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 120.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | S22 S26 | S22-A24 PolarHBondContact O-N 2.74Å; A24-S26 PolarHBondContact O-N 3.13Å |
| 25 | A | 65.7 | Low | 63.7 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | | | trans | -44.6 | 133.1 | -179 | 0 | 0 | 0 | 0 | 0 | 108.2 | P23 D27 | P23-A25 PolarHBondContact O-N 2.83Å; A25-D27 VanDerWaalsContact C-N 3.31Å; A25-D27 PolarHBondContact O-N 2.75Å |
| 26 | S | 62.9 | Low | 63.6 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | | | trans | -38.6 | 91.1 | -170 | -156.7 | 0 | 0 | 0 | 0 | 111.8 | A24 A28 | A24-S26 PolarHBondContact O-N 3.13Å; S26-A28 PolarHBondContact O-N 2.83Å |
| 27 | D | 65.2 | Low | 63.8 | Low | 79 Ų | 79 | 122.3 Ų | 122.3 | 42% | 0.422 | 71% | 0.712 | S | S | . | * | | | trans | -70.7 | 126 | -176.2 | -179.5 | -0.1 | 0 | 0 | 0 | 106.5 | A25 R29 S30 | A25-D27 VanDerWaalsContact C-N 3.31Å; A25-D27 PolarHBondContact O-N 2.75Å; D27-R29 PolarHBondContact O-N 2.89Å; D27-R29 PolarHBondContact OD1-N 3.29Å; D27-R29 IonicContact OD1-NE 3.69Å; D27-S30 VanDerWaalsContact O-CB 3.25Å; D27-S30 WeakPolarHBondContact O-CB 3.1Å; D27-S30 PolarHBondContact O-N 2.9Å |
| 28 | A | 66.5 | Low | 63.8 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -12.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 | S26-A28 PolarHBondContact O-N 2.83Š|
| 29 | R | 68.1 | Low | 64.2 | Low | 191 Ų | 191 | 127.1 Ų | 127.1 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 3.8 | 174.7 | -63.5 | -179.7 | -74.7 | -157.4 | -3.5 | 114.2 | D27 F31 | D27-R29 PolarHBondContact O-N 2.89Å; D27-R29 PolarHBondContact OD1-N 3.29Å; D27-R29 IonicContact OD1-NE 3.69Å; R29-F31 WeakPolarHBondContact O-CD2 3.43Å; R29-F31 PolarHBondContact O-N 3.39Å; R29-F31 VanDerWaalsContact O-N 3.13Å |
| 30 | S | 66.4 | Low | 64.5 | Low | 60 Ų | 60 | 126.4 Ų | 126.4 | 42% | 0.42 | 70% | 0.7 | S | S | . | * | | | trans | -76.8 | 97 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | D27 | D27-S30 VanDerWaalsContact O-CB 3.25Å; D27-S30 WeakPolarHBondContact O-CB 3.1Å; D27-S30 PolarHBondContact O-N 2.9Å |
| 31 | F | 67.1 | Low | 64.8 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 53% | 0.526 | 69% | 0.694 | S | S | . | * | | | trans | -69.1 | 140.1 | 169.6 | -69.2 | -88.9 | 0 | 0 | 0 | 110.6 | R29 S33 R34 Q35 | R29-F31 WeakPolarHBondContact O-CD2 3.43Å; R29-F31 PolarHBondContact O-N 3.39Å; R29-F31 VanDerWaalsContact O-N 3.13Å; F31-S33 PolarHBondContact O-N 2.8Å; F31-S33 VanDerWaalsContact O-N 3.09Å; F31-R34 HydrophobicContact CB-CG 4.26Å; F31-R34 WeakPolarHBondContact O-CA 3.49Å; F31-R34 PolarHBondContact O-N 3.45Å; F31-Q35 PolarHBondContact O-N 3.43Å |
| 32 | P | 64.1 | Low | 65.3 | Low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -54.7 | -31.7 | 177.2 | -25.4 | 32.9 | 0 | 0 | 0 | 113.2 | R34 Q35 | P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 3.33Å; P32-Q35 PolarHBondContact O-N 2.99Å |
| 33 | S | 65.5 | Low | 65.5 | Low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -69.3 | -20.2 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | F31 | F31-S33 PolarHBondContact O-N 2.8Å; F31-S33 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 62.3 | Low | 65.8 | Low | 189 Ų | 189 | 125 Ų | 125 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -96.4 | -5.2 | 175.5 | -63.8 | -175.2 | -156.6 | -88.2 | 0.1 | 112.8 | F31 P32 R36 | F31-R34 HydrophobicContact CB-CG 4.26Å; F31-R34 WeakPolarHBondContact O-CA 3.49Å; F31-R34 PolarHBondContact O-N 3.45Å; P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 3.33Å; R34-R36 PolarHBondContact O-N 2.89Å |
| 35 | Q | 69.6 | Low | 65.7 | Low | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -64 | 107.6 | 169 | -76.1 | -174.2 | -8.8 | 0 | 0 | 107.5 | F31 P32 R37 | F31-Q35 PolarHBondContact O-N 3.43Å; P32-Q35 PolarHBondContact O-N 2.99Å; Q35-R37 PolarHBondContact O-N 3.08Å |
| 36 | R | 67.9 | Low | 65.8 | Low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.845 | 67% | 0.67 | S | S | * | * | | | trans | -55.9 | 116 | 176.6 | -161.3 | 175.5 | 85.2 | 134.2 | 4.5 | 106.3 | R34 V38 | R34-R36 PolarHBondContact O-N 2.89Å; R36-V38 PolarHBondContact O-N 3.04Å |
| 37 | R | 69.1 | Low | 65.9 | Low | 239 Ų | 239 | 130.8 Ų | 130.8 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | | | trans | -53.3 | 111.8 | 175.2 | -62.7 | -176.4 | -158.3 | 127 | 3.4 | 106.7 | Q35 L39 | Q35-R37 PolarHBondContact O-N 3.08Å; R37-L39 PolarHBondContact O-N 2.82Å |
| 38 | V | 63.9 | Low | 65.7 | Low | 130 Ų | 130 | 135.7 Ų | 135.7 | 79% | 0.788 | 68% | 0.68 | S | S | * | * | | | trans | -69 | 104 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 104 | R36 D40 | R36-V38 PolarHBondContact O-N 3.04Å; V38-D40 PolarHBondContact O-N 3.13Å |
| 39 | L | 67.3 | Low | 65.8 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | | | trans | -61.4 | 121.3 | 171.8 | -176.9 | 64.7 | 0 | 0 | 0 | 106.3 | R37 D43 A44 | R37-L39 PolarHBondContact O-N 2.82Å; L39-D43 HydrophobicContact CD1-CB 4.04Å; L39-A44 HydrophobicContact CD2-CB 3.84Å; L39-A44 HydrophobicContact CG-CB 4.16Å |
| 40 | D | 68.3 | Low | 65.6 | Low | 71 Ų | 71 | 137 Ų | 137 | 38% | 0.38 | 67% | 0.673 | S | S | . | * | | | trans | -59.4 | 132.8 | 177.6 | -177.5 | 60.5 | 0 | 0 | 0 | 108.5 | V38 K42 D43 A44 | V38-D40 PolarHBondContact O-N 3.13Å; D40-K42 PolarHBondContact O-N 3.26Å; D40-K42 VanDerWaalsContact O-N 3.08Å; D40-K42 WeakPolarHBondContact OD2-CA 3.09Å; D40-K42 WeakPolarHBondContact OD2-CB 3.48Å; D40-K42 WeakPolarHBondContact OD2-CG 3.43Å; D40-K42 PolarHBondContact OD2-N 3.3Å; D40-D43 HydrophobicContact CB-CB 4.15Å; D40-D43 WeakPolarHBondContact CB-OD2 3.4Å; D40-D43 CarbonylContact O-C 3.49Å; D40-D43 WeakPolarHBondContact O-CA 3.45Å; D40-D43 WeakPolarHBondContact O-CB 3.39Å; D40-D43 PolarHBondContact O-N 3.35Å; D40-A44 PolarHBondContact O-N 3.22Å |
| 41 | P | 64.1 | Low | 65.7 | Low | 98 Ų | 98 | 138.9 Ų | 138.9 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -24.4 | 179.6 | -27.7 | 35.9 | 0 | 0 | 0 | 113.8 | A44 | P41-A44 PolarHBondContact O-N 3.01Š|
| 42 | K | 66.1 | Low | 65.6 | Low | 167 Ų | 167 | 139 Ų | 139 | 73% | 0.726 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -29.2 | 173.6 | -52.1 | 176.8 | 175.7 | 178.4 | 0 | 112.2 | D40 A44 H45 | D40-K42 PolarHBondContact O-N 3.26Å; D40-K42 VanDerWaalsContact O-N 3.08Å; D40-K42 WeakPolarHBondContact OD2-CA 3.09Å; D40-K42 WeakPolarHBondContact OD2-CB 3.48Å; D40-K42 WeakPolarHBondContact OD2-CG 3.43Å; D40-K42 PolarHBondContact OD2-N 3.3Å; K42-A44 VanDerWaalsContact C-N 3.25Å; K42-H45 PolarHBondContact O-CD2 2.83Å |
| 43 | D | 62.3 | Low | 65.6 | Low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -9.3 | 171.6 | -63.7 | -34.5 | 0 | 0 | 0 | 112.4 | L39 D40 H45 | L39-D43 HydrophobicContact CD1-CB 4.04Å; D40-D43 HydrophobicContact CB-CB 4.15Å; D40-D43 WeakPolarHBondContact CB-OD2 3.4Å; D40-D43 CarbonylContact O-C 3.49Å; D40-D43 WeakPolarHBondContact O-CA 3.45Å; D40-D43 WeakPolarHBondContact O-CB 3.39Å; D40-D43 PolarHBondContact O-N 3.35Å; D43-H45 VanDerWaalsContact C-N 3.35Å |
| 44 | A | 64.6 | Low | 65.6 | Low | 46 Ų | 46 | 138.6 Ų | 138.6 | 38% | 0.38 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L39 D40 P41 K42 V46 | L39-A44 HydrophobicContact CD2-CB 3.84Å; L39-A44 HydrophobicContact CG-CB 4.16Å; D40-A44 PolarHBondContact O-N 3.22Å; P41-A44 PolarHBondContact O-N 3.01Å; K42-A44 VanDerWaalsContact C-N 3.25Å; A44-V46 PolarHBondContact O-N 2.73Å |
| 45 | H | 63.4 | Low | 65.6 | Low | 156 Ų | 156 | 135.1 Ų | 135.1 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | | | trans | -71.4 | 49.8 | 172.2 | -76.6 | -72.7 | 0 | 0 | 0 | 112.5 | K42 D43 Q47 | K42-H45 PolarHBondContact O-CD2 2.83Å; D43-H45 VanDerWaalsContact C-N 3.35Å; H45-Q47 VanDerWaalsContact C-N 3.3Å; H45-Q47 PolarHBondContact O-N 2.96Å; H45-Q47 VanDerWaalsContact O-N 3.13Å |
| 46 | V | 66.6 | Low | 65.1 | Low | 120 Ų | 120 | 132.8 Ų | 132.8 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | -78 | 93.7 | 156.4 | -174.2 | 0 | 0 | 0 | 0 | 105.3 | A44 F48 | A44-V46 PolarHBondContact O-N 2.73Å; V46-F48 VanDerWaalsContact C-N 3.33Å; V46-F48 PolarHBondContact O-N 3.22Å |
| 47 | Q | 65 | Low | 64.7 | Low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | | | trans | -50.4 | 104 | 164.3 | -72.6 | -92.8 | 26.1 | 0 | 0 | 106.7 | H45 R49 | H45-Q47 VanDerWaalsContact C-N 3.3Å; H45-Q47 PolarHBondContact O-N 2.96Å; H45-Q47 VanDerWaalsContact O-N 3.13Å; Q47-R49 PolarHBondContact O-N 2.97Å |
| 48 | F | 61.9 | Low | 64.4 | Low | 181 Ų | 181 | 122.4 Ų | 122.4 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | | | trans | -67.1 | 86.9 | 171.6 | -164.4 | -92.2 | 0 | 0 | 0 | 105.7 | V46 V50 | V46-F48 VanDerWaalsContact C-N 3.33Å; V46-F48 PolarHBondContact O-N 3.22Å; F48-V50 HydrophobicContact CD1-CG2 3.72Å; F48-V50 HydrophobicContact CE1-CG2 4.08Å; F48-V50 PolarHBondContact O-N 2.96Å |
| 49 | R | 67.8 | Low | 64.3 | Low | 223 Ų | 223 | 122.5 Ų | 122.5 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | | | trans | -69.1 | 91.8 | 172.8 | -73.1 | -169.4 | -170.5 | -176.3 | 3.9 | 105.9 | Q47 P51 | Q47-R49 PolarHBondContact O-N 2.97Å; R49-P51 VanDerWaalsContact O-CD 3.22Å; R49-P51 WeakPolarHBondContact O-CD 3.25Å; R49-P51 VanDerWaalsContact O-N 3.1Å |
| 50 | V | 64.6 | Low | 64.2 | Low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | trans | -54.7 | 113.9 | 162.3 | -178.6 | 0 | 0 | 0 | 0 | 105.1 | F48 | F48-V50 HydrophobicContact CD1-CG2 3.72Å; F48-V50 HydrophobicContact CE1-CG2 4.08Å; F48-V50 PolarHBondContact O-N 2.96Å |
| 51 | P | 67.6 | Low | 63.9 | Low | 99 Ų | 99 | 128.4 Ų | 128.4 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | | | trans | -59.4 | 137.1 | 171 | 23.7 | -28.3 | 0 | 0 | 0 | 106.7 | R49 S53 | R49-P51 VanDerWaalsContact O-CD 3.22Å; R49-P51 WeakPolarHBondContact O-CD 3.25Å; R49-P51 VanDerWaalsContact O-N 3.1Å; P51-S53 PolarHBondContact O-N 3.04Å |
| 52 | P | 65.9 | Low | 63.9 | Low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | | | trans | -51 | 126.4 | 175.4 | 22.4 | -31.9 | 0 | 0 | 0 | 107.3 | S54 | P52-S54 PolarHBondContact O-N 2.88Å; P52-S54 VanDerWaalsContact O-N 3.16Å |
| 53 | S | 64.8 | Low | 63.9 | Low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | -44.7 | 124.9 | -176.9 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | P51 | P51-S53 PolarHBondContact O-N 3.04Š|
| 54 | S | 64.8 | Low | 64 | Low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -45.5 | 140.7 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | P52 A56 | P52-S54 PolarHBondContact O-N 2.88Å; P52-S54 VanDerWaalsContact O-N 3.16Å; S54-A56 PolarHBondContact O-N 3.27Å |
| 55 | P | 62.3 | Low | 64 | Low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -55.1 | 136.6 | 171.9 | 24.6 | -31.8 | 0 | 0 | 0 | 108.5 | C57 | P55-C57 PolarHBondContact O-N 2.94Š|
| 56 | A | 59.2 | Low | 64.1 | Low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | -39.3 | 125.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 V58 | S54-A56 PolarHBondContact O-N 3.27Å; A56-V58 PolarHBondContact O-N 3.32Å |
| 57 | C | 60.2 | Low | 63.8 | Low | 124 Ų | 124 | 135.6 Ų | 135.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -58.8 | 102.7 | 162.5 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | P55 P59 | P55-C57 PolarHBondContact O-N 2.94Å; C57-P59 WeakPolarHBondContact O-CD 3.35Å |
| 58 | V | 62.6 | Low | 63.6 | Low | 120 Ų | 120 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -72 | 122.7 | 173.1 | -155.5 | 0 | 0 | 0 | 0 | 106.6 | A56 G60 | A56-V58 PolarHBondContact O-N 3.32Å; V58-G60 VanDerWaalsContact C-N 3.31Å; V58-G60 PolarHBondContact O-N 3.1Å |
| 59 | P | 60.6 | Low | 63.8 | Low | 133 Ų | 133 | 129 Ų | 129 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -71.9 | 91.3 | 174.1 | -8.2 | 24.1 | 0 | 0 | 0 | 108 | C57 | C57-P59 WeakPolarHBondContact O-CD 3.35Š|
| 60 | G | 64.8 | Low | 63.5 | Low | 61 Ų | 61 | 123.7 Ų | 123.7 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | -167.8 | 96.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V58 | V58-G60 VanDerWaalsContact C-N 3.31Å; V58-G60 PolarHBondContact O-N 3.1Å |
| 61 | R | 62.2 | Low | 63.7 | Low | 249 Ų | 249 | 124 Ų | 124 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | | | trans | 71.7 | 103.6 | 170.9 | -71.8 | -170 | 171.8 | -144.7 | -1.1 | 117.5 | G63 | R61-G63 PolarHBondContact O-N 3.27Å; R61-G63 VanDerWaalsContact O-N 3.11Å |
| 62 | A | 64.3 | Low | 63.9 | Low | 109 Ų | 109 | 127 Ų | 127 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -59.9 | 108.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 63 | G | 66.1 | Low | 64 | Low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | trans | -68.5 | 143 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R61 H65 | R61-G63 PolarHBondContact O-N 3.27Å; R61-G63 VanDerWaalsContact O-N 3.11Å; G63-H65 PolarHBondContact O-N 2.69Å |
| 64 | Q | 65.8 | Low | 64.3 | Low | 199 Ų | 199 | 132.3 Ų | 132.3 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | trans | -59.4 | 106 | 176.9 | -82.1 | 172.5 | -66.5 | 0 | 0 | 110.1 | R66 | Q64-R66 PolarHBondContact O-N 3.38Š|
| 65 | H | 63.3 | Low | 64.8 | Low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -76.5 | 94.3 | 174.8 | -161.8 | -98 | 0 | 0 | 0 | 108.8 | G63 G67 | G63-H65 PolarHBondContact O-N 2.69Å; H65-G67 PolarHBondContact O-N 2.83Å; H65-G67 VanDerWaalsContact O-N 3.1Å |
| 66 | R | 65 | Low | 65.4 | Low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -73.3 | 99.6 | 176 | -160.4 | -174.9 | -169.5 | -153.5 | 3.7 | 108.7 | Q64 | Q64-R66 PolarHBondContact O-N 3.38Š|
| 67 | G | 61.2 | Low | 66 | Low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | 57.7 | 116.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | H65 | H65-G67 PolarHBondContact O-N 2.83Å; H65-G67 VanDerWaalsContact O-N 3.1Å |
| 68 | S | 60.5 | Low | 66.2 | Low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | trans | -144.9 | 97.7 | 144.1 | -164.3 | 0 | 0 | 0 | 0 | 108.4 | T70 | S68-T70 PolarHBondContact O-N 3.09Š|
| 69 | A | 65.4 | Low | 66.1 | Low | 105 Ų | 105 | 141.9 Ų | 141.9 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | -76.5 | 95.4 | 169 | 0 | 0 | 0 | 0 | 0 | 107.3 | S71 | A69-S71 PolarHBondContact O-N 3.13Š|
| 70 | T | 63.4 | Low | 66.2 | Low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | trans | -77.3 | 102.1 | 171.8 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | S68 L72 | S68-T70 PolarHBondContact O-N 3.09Å; T70-L72 PolarHBondContact O-N 3.05Å |
| 71 | S | 68.8 | Low | 66.2 | Low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -68.7 | 118 | 168.7 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | A69 | A69-S71 PolarHBondContact O-N 3.13Š|
| 72 | L | 70.3 | Confident | 65.8 | Low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | -85.8 | 113.2 | 173.3 | -69.9 | 167.4 | 0 | 0 | 0 | 109.2 | T70 | T70-L72 PolarHBondContact O-N 3.05Š|
| 73 | V | 68.8 | Low | 65.3 | Low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -86.9 | 108.9 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | I75 | V73-I75 HydrophobicContact CG1-CG1 4.35Š|
| 74 | W | 70.4 | Confident | 65.2 | Low | 221 Ų | 221 | 153.3 Ų | 153.3 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | | | trans | -89 | 111.6 | 175.1 | 179.7 | -95.1 | 0 | 0 | 0 | 109.8 | | |
| 75 | I | 75.3 | Confident | 65.2 | Low | 149 Ų | 149 | 150.8 Ų | 150.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -89.9 | 106 | 173.7 | -62.1 | 176.7 | 0 | 0 | 0 | 108.5 | V73 | V73-I75 HydrophobicContact CG1-CG1 4.35Š|
| 76 | V | 75.8 | Confident | 65.3 | Low | 95 Ų | 95 | 149.6 Ų | 149.6 | 58% | 0.576 | 80% | 0.795 | S | S | * | * | | | trans | -81.1 | 117.4 | 166.9 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | K78 | V76-K78 HydrophobicContact CG1-CG 4.47Å; V76-K78 PolarHBondContact O-N 2.85Å |
| 77 | K | 70.5 | Confident | 65.3 | Low | 192 Ų | 192 | 144.1 Ų | 144.1 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -79.7 | 108.1 | 163 | -160.3 | 170 | -177.9 | 178.8 | 0 | 107.8 | T79 | K77-T79 PolarHBondContact O-N 2.94Š|
| 78 | K | 65.7 | Low | 65.6 | Low | 187 Ų | 187 | 148.9 Ų | 148.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -70.5 | 115 | 173.1 | -67.7 | -176.2 | -179.9 | 178.1 | 0 | 108.4 | V76 | V76-K78 HydrophobicContact CG1-CG 4.47Å; V76-K78 PolarHBondContact O-N 2.85Å |
| 79 | T | 60.8 | Low | 65.9 | Low | 126 Ų | 126 | 152.5 Ų | 152.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -85.9 | 107.4 | 162 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | K77 I81 | K77-T79 PolarHBondContact O-N 2.94Å; T79-I81 PolarHBondContact O-N 3.35Å |
| 80 | T | 61.3 | Low | 65.9 | Low | 111 Ų | 111 | 155.9 Ų | 155.9 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | | | trans | -65.1 | 114 | 170.9 | -47.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 81 | I | 64.6 | Low | 66.1 | Low | 160 Ų | 160 | 159.2 Ų | 159.2 | 82% | 0.821 | 81% | 0.807 | S | S | * | * | | | trans | -78.1 | 115.9 | 162.9 | -59.2 | 175.1 | 0 | 0 | 0 | 105 | T79 | T79-I81 PolarHBondContact O-N 3.35Š|
| 82 | Q | 55.6 | Low | 65.9 | Low | 171 Ų | 171 | 163.3 Ų | 163.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -86.2 | 125.4 | 169 | -66.2 | -98.5 | -52.9 | 0 | 0 | 106.6 | | |
| 83 | E | 52 | Low | 65.5 | Low | 260 Ų | 260 | 163.3 Ų | 163.3 | 100% | 1.215 | 81% | 0.806 | S | S | * | * | | | trans | -86.8 | 0 | 166.4 | -173.8 | -177.1 | 136 | 0 | 0 | 109.3 | | |