| 1 | M | 42.8 | Very low | 51.1 | Low | 234 Ų | 234 | 122.1 Ų | 122.1 | 100% | 1.153 | 78% | 0.779 | S | S | * | * | | | | 0 | 113.3 | 0 | -62 | 174.1 | 83 | 0 | 0 | 106.8 | | |
| 2 | P | 44.3 | Very low | 51.5 | Low | 135 Ų | 135 | 119 Ų | 119 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -71.9 | 137.1 | -173.6 | 29.6 | -31.1 | 0 | 0 | 0 | 110.3 | | |
| 3 | G | 44.7 | Very low | 51.8 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | -65.1 | 135.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V5 | G3-V5 PolarHBondContact O-N 2.85Š|
| 4 | V | 56 | Low | 52 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | -75.5 | 102.6 | 166.3 | 175.3 | 0 | 0 | 0 | 0 | 107.3 | A6 | V4-A6 PolarHBondContact O-N 2.97Š|
| 5 | V | 56.4 | Low | 52.1 | Low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | -63.2 | 112.4 | 164.9 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | G3 D7 | G3-V5 PolarHBondContact O-N 2.85Å; V5-D7 PolarHBondContact O-N 3.35Å |
| 6 | A | 53.7 | Low | 52.4 | Low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -65.4 | 100.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | V4 A8 | V4-A6 PolarHBondContact O-N 2.97Å; A6-A8 VanDerWaalsContact C-N 3.28Å; A6-A8 PolarHBondContact O-N 2.92Å |
| 7 | D | 54.2 | Low | 52.3 | Low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -63.4 | 96 | 170.7 | -168.1 | 67.4 | 0 | 0 | 0 | 107.4 | V5 | V5-D7 PolarHBondContact O-N 3.35Š|
| 8 | A | 46.9 | Very low | 52.2 | Low | 74 Ų | 74 | 127.4 Ų | 127.4 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | | | trans | -73.7 | 137.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111 | A6 | A6-A8 VanDerWaalsContact C-N 3.28Å; A6-A8 PolarHBondContact O-N 2.92Å |
| 9 | C | 50.1 | Low | 52.3 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 62.1 | 69.2 | 137.6 | -63.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 10 | N | 55.6 | Low | 52.3 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 46% | 0.455 | 76% | 0.756 | S | S | . | * | | | | 154.9 | 109.7 | 125.7 | -175.2 | 1.5 | 0 | 0 | 0 | 109.2 | A12 T13 | N10-A12 PolarHBondContact O-N 2.94Å; N10-A12 WeakPolarHBondContact OD1-CB 3.47Å; N10-A12 PolarHBondContact OD1-N 3.09Å; N10-T13 HydrophobicContact CB-CG2 4.17Å; N10-T13 PolarHBondContact O-N 2.83Å; N10-T13 VanDerWaalsContact O-N 3.09Å; N10-T13 PolarHBondContact O-OG1 2.82Å |
| 11 | P | 57.1 | Low | 52.4 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -18 | 176.8 | 24 | -31.7 | 0 | 0 | 0 | 113 | | |
| 12 | A | 55.6 | Low | 53 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -15.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N10 | N10-A12 PolarHBondContact O-N 2.94Å; N10-A12 WeakPolarHBondContact OD1-CB 3.47Å; N10-A12 PolarHBondContact OD1-N 3.09Å |
| 13 | T | 55.3 | Low | 53.5 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -9.5 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | N10 R15 | N10-T13 HydrophobicContact CB-CG2 4.17Å; N10-T13 PolarHBondContact O-N 2.83Å; N10-T13 VanDerWaalsContact O-N 3.09Å; N10-T13 PolarHBondContact O-OG1 2.82Å; T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 2.77Å |
| 14 | R | 54.6 | Low | 53.9 | Low | 192 Ų | 192 | 126.5 Ų | 126.5 | 73% | 0.725 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -67.3 | 95.1 | 174.8 | -168 | -180 | -77.5 | -173.1 | -3.6 | 108.2 | L16 | R14-L16 PolarHBondContact O-N 3.09Š|
| 15 | R | 54.5 | Low | 53.6 | Low | 237 Ų | 237 | 123.3 Ų | 123.3 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | | | trans | -50.9 | 114.1 | 170.2 | -73.3 | -172.4 | 171.5 | -151.7 | -1.3 | 107.1 | T13 G17 | T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 2.77Å; R15-G17 VanDerWaalsContact C-N 3.31Å; R15-G17 PolarHBondContact O-N 3Å |
| 16 | L | 55.7 | Low | 53.3 | Low | 167 Ų | 167 | 119.7 Ų | 119.7 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | | | trans | -63.6 | 96.7 | 176.8 | -152.9 | 81.4 | 0 | 0 | 0 | 106 | R14 T18 | R14-L16 PolarHBondContact O-N 3.09Å; L16-T18 PolarHBondContact O-N 3.07Å |
| 17 | G | 52.1 | Low | 53.4 | Low | 56 Ų | 56 | 122.1 Ų | 122.1 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | | | trans | -51.3 | 126.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | R15 V19 | R15-G17 VanDerWaalsContact C-N 3.31Å; R15-G17 PolarHBondContact O-N 3Å; G17-V19 VanDerWaalsContact C-N 3.34Å; G17-V19 PolarHBondContact O-N 3.28Å |
| 18 | T | 50.6 | Low | 53.4 | Low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | | | trans | -55.9 | 99.8 | 177 | 35.3 | 0 | 0 | 0 | 0 | 108 | L16 D20 | L16-T18 PolarHBondContact O-N 3.07Å; T18-D20 PolarHBondContact O-N 3.04Å |
| 19 | V | 52.7 | Low | 53.7 | Low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | trans | -74.2 | 85.6 | 166.1 | -180 | 0 | 0 | 0 | 0 | 105.2 | G17 G21 L22 | G17-V19 VanDerWaalsContact C-N 3.34Å; G17-V19 PolarHBondContact O-N 3.28Å; V19-G21 PolarHBondContact O-N 2.86Å; V19-L22 HydrophobicContact CB-CD1 4.31Å; V19-L22 HydrophobicContact CG1-CD1 4.12Å; V19-L22 HydrophobicContact CG1-CG 4.16Å; V19-L22 PolarHBondContact O-N 2.91Å |
| 20 | D | 52.8 | Low | 54 | Low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 90.3 | 168 | -70.1 | -35.9 | 0 | 0 | 0 | 107.6 | T18 | T18-D20 PolarHBondContact O-N 3.04Š|
| 21 | G | 54.9 | Low | 53.8 | Low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162 | -16.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V19 R23 | V19-G21 PolarHBondContact O-N 2.86Å; G21-R23 PolarHBondContact O-N 3.38Å |
| 22 | L | 54.7 | Low | 53.4 | Low | 140 Ų | 140 | 126.4 Ų | 126.4 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | -87.1 | 102.1 | 177.8 | -74.2 | 168.5 | 0 | 0 | 0 | 110.7 | V19 | V19-L22 HydrophobicContact CB-CD1 4.31Å; V19-L22 HydrophobicContact CG1-CD1 4.12Å; V19-L22 HydrophobicContact CG1-CG 4.16Å; V19-L22 PolarHBondContact O-N 2.91Å |
| 23 | R | 56.1 | Low | 53.6 | Low | 234 Ų | 234 | 133.7 Ų | 133.7 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | | | trans | -51 | 126.2 | 172.3 | -132.8 | -173.5 | -175.6 | -140.5 | 1.8 | 109.2 | G21 G25 | G21-R23 PolarHBondContact O-N 3.38Å; R23-G25 PolarHBondContact O-N 3.17Å |
| 24 | P | 51.3 | Low | 53.8 | Low | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 94.3 | 177.6 | 27.9 | -31.1 | 0 | 0 | 0 | 108.1 | | |
| 25 | G | 50.2 | Low | 54 | Low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.1 | -10 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | R23 | R23-G25 PolarHBondContact O-N 3.17Š|
| 26 | G | 50.9 | Low | 54.4 | Low | 54 Ų | 54 | 128.9 Ų | 128.9 | 56% | 0.557 | 72% | 0.723 | S | S | * | * | | | trans | -162.9 | 112.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D28 | G26-D28 PolarHBondContact O-N 2.91Š|
| 27 | L | 56.4 | Low | 54.6 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | | | trans | -68.9 | 77.1 | 149.8 | -75.8 | 170.9 | 0 | 0 | 0 | 105.6 | R29 G42 | L27-R29 PolarHBondContact O-N 3.39Å; L27-G42 WeakPolarHBondContact CD1-O 3.32Å |
| 28 | D | 53.1 | Low | 55.2 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | | | trans | -62.6 | 137.4 | -178.8 | -157.9 | 2.6 | 0 | 0 | 0 | 107.5 | G26 V30 | G26-D28 PolarHBondContact O-N 2.91Å; D28-V30 HydrophobicContact CB-CG2 3.91Å; D28-V30 PolarHBondContact O-N 3.16Å |
| 29 | R | 54 | Low | 55.7 | Low | 231 Ų | 231 | 132.8 Ų | 132.8 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | | | trans | -77 | 37.6 | -161.4 | -150.9 | 174.1 | 178.4 | -172.9 | -1 | 110.3 | L27 T31 | L27-R29 PolarHBondContact O-N 3.39Å; R29-T31 VanDerWaalsContact C-N 3.28Å; R29-T31 PolarHBondContact O-N 3.2Å |
| 30 | V | 55 | Low | 56.4 | Low | 106 Ų | 106 | 137 Ų | 137 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | | | trans | -74.9 | 84.7 | -165.7 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | D28 | D28-V30 HydrophobicContact CB-CG2 3.91Å; D28-V30 PolarHBondContact O-N 3.16Å |
| 31 | T | 51.3 | Low | 57.2 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | | | trans | 59 | 67.4 | 146.7 | 63 | 0 | 0 | 0 | 0 | 115.6 | R29 R33 | R29-T31 VanDerWaalsContact C-N 3.28Å; R29-T31 PolarHBondContact O-N 3.2Å; T31-R33 VanDerWaalsContact C-N 3.33Å; T31-R33 PolarHBondContact O-N 2.9Å |
| 32 | S | 48.9 | Very low | 57.8 | Low | 63 Ų | 63 | 134.2 Ų | 134.2 | 44% | 0.441 | 71% | 0.713 | S | S | . | * | | | trans | -64.9 | 101.2 | 149.5 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | R34 | S32-R34 PolarHBondContact O-N 3.36Š|
| 33 | R | 59.6 | Low | 58.3 | Low | 237 Ų | 237 | 133 Ų | 133 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | | | trans | -66 | 15.9 | 178.8 | -63.9 | -169.9 | -173.5 | -150.1 | 3.3 | 114 | T31 | T31-R33 VanDerWaalsContact C-N 3.33Å; T31-R33 PolarHBondContact O-N 2.9Å |
| 34 | R | 61.1 | Low | 59 | Low | 179 Ų | 179 | 124.9 Ų | 124.9 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | | | trans | -111.2 | 108.6 | 178 | -74.9 | -172.8 | 171.8 | -142.3 | -1.3 | 109.6 | S32 S36 V37 | S32-R34 PolarHBondContact O-N 3.36Å; R34-S36 PolarHBondContact O-N 3.3Å; R34-V37 HydrophobicContact CB-CB 4.24Å; R34-V37 HydrophobicContact CB-CG2 3.72Å; R34-V37 PolarHBondContact O-N 3.49Å |
| 35 | P | 58.7 | Low | 60 | Low | 141 Ų | 141 | 126 Ų | 126 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -15.7 | -178.7 | 22.7 | -31.4 | 0 | 0 | 0 | 113.7 | | |
| 36 | S | 63.2 | Low | 60.7 | Low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4.5 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 115 | R34 | R34-S36 PolarHBondContact O-N 3.3Š|
| 37 | V | 58.3 | Low | 61.1 | Low | 73 Ų | 73 | 127.5 Ų | 127.5 | 44% | 0.442 | 67% | 0.667 | S | S | . | * | | | trans | -106 | 101.3 | -175.3 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | R34 V39 | R34-V37 HydrophobicContact CB-CB 4.24Å; R34-V37 HydrophobicContact CB-CG2 3.72Å; R34-V37 PolarHBondContact O-N 3.49Å; V37-V39 PolarHBondContact O-N 3.31Å |
| 38 | R | 66.1 | Low | 61.3 | Low | 244 Ų | 244 | 122.6 Ų | 122.6 | 92% | 0.921 | 65% | 0.646 | S | S | * | * | | | trans | -69.2 | 112.2 | 166 | -80.2 | -175.9 | 175.6 | -169.3 | -0.8 | 109.1 | K40 | R38-K40 PolarHBondContact O-N 3.01Š|
| 39 | V | 61.3 | Low | 61.6 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.4 | 168.9 | -178.6 | 0 | 0 | 0 | 0 | 108 | V37 | V37-V39 PolarHBondContact O-N 3.31Š|
| 40 | K | 67.4 | Low | 62 | Low | 193 Ų | 193 | 118.7 Ų | 118.7 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 140.4 | 168.8 | -71.8 | -175 | 176.7 | -176.8 | 0 | 108.9 | R38 G42 | R38-K40 PolarHBondContact O-N 3.01Å; K40-G42 PolarHBondContact O-N 3.42Å; K40-G42 VanDerWaalsContact O-N 3.15Å |
| 41 | S | 68.4 | Low | 62.2 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.2 | 168.9 | 47.2 | 0 | 0 | 0 | 0 | 109 | | |
| 42 | G | 67.9 | Low | 62.6 | Low | 45 Ų | 45 | 118.3 Ų | 118.3 | 46% | 0.464 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 137.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L27 K40 | L27-G42 WeakPolarHBondContact CD1-O 3.32Å; K40-G42 PolarHBondContact O-N 3.42Å; K40-G42 VanDerWaalsContact O-N 3.15Å |
| 43 | V | 66 | Low | 63 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 128.5 | 165.2 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | M45 A48 | V43-M45 PolarHBondContact O-N 3.03Å; V43-A48 HydrophobicContact CG1-CB 4.34Å |
| 44 | N | 69.7 | Low | 62.9 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 34% | 0.342 | 61% | 0.605 | S | S | . | * | | | trans | -68.5 | 106.2 | 173.4 | -174.6 | -14.9 | 0 | 0 | 0 | 109.4 | V46 T47 A48 | N44-V46 PolarHBondContact O-N 2.99Å; N44-V46 WeakPolarHBondContact OD1-CB 3.44Å; N44-V46 PolarHBondContact OD1-N 2.86Å; N44-T47 PolarHBondContact ND2-OG1 3.32Å; N44-T47 PolarHBondContact O-N 2.84Å; N44-A48 PolarHBondContact O-N 3.09Å |
| 45 | M | 71.6 | Confident | 62.9 | Low | 124 Ų | 124 | 109.9 Ų | 109.9 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.9 | -23.6 | -178.8 | -68 | -64.2 | -70.3 | 0 | 0 | 113.1 | V43 K49 | V43-M45 PolarHBondContact O-N 3.03Å; M45-K49 WeakPolarHBondContact O-CB 3.32Å; M45-K49 WeakPolarHBondContact O-CG 3.32Å; M45-K49 PolarHBondContact O-N 3.5Å |
| 46 | V | 65.8 | Low | 63 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 63% | 0.63 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -50.2 | 175 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | N44 A48 K49 E50 | N44-V46 PolarHBondContact O-N 2.99Å; N44-V46 WeakPolarHBondContact OD1-CB 3.44Å; N44-V46 PolarHBondContact OD1-N 2.86Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 2.94Å; V46-K49 PolarHBondContact O-N 2.68Å; V46-E50 PolarHBondContact O-N 2.96Å |
| 47 | T | 59.6 | Low | 62.8 | Low | 58 Ų | 58 | 108.3 Ų | 108.3 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.2 | -37.4 | 176 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | N44 E50 L51 | N44-T47 PolarHBondContact ND2-OG1 3.32Å; N44-T47 PolarHBondContact O-N 2.84Å; T47-E50 PolarHBondContact O-N 3.31Å; T47-L51 VanDerWaalsContact O-CB 3.31Å; T47-L51 WeakPolarHBondContact O-CB 3.44Å; T47-L51 PolarHBondContact O-N 2.91Å |
| 48 | A | 60.2 | Low | 62.9 | Low | 33 Ų | 33 | 112.4 Ų | 112.4 | 27% | 0.273 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V43 N44 V46 T52 | V43-A48 HydrophobicContact CG1-CB 4.34Å; N44-A48 PolarHBondContact O-N 3.09Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 2.94Å; A48-T52 WeakPolarHBondContact O-CB 3.4Å; A48-T52 PolarHBondContact O-N 3.38Å; A48-T52 PolarHBondContact O-OG1 2.86Å |
| 49 | K | 60.4 | Low | 62.7 | Low | 150 Ų | 150 | 106.4 Ų | 106.4 | 65% | 0.652 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.7 | -42.7 | 174.8 | -77.8 | -179.4 | 176.9 | -174.4 | 0 | 111.7 | M45 V46 L51 T52 A53 | M45-K49 WeakPolarHBondContact O-CB 3.32Å; M45-K49 WeakPolarHBondContact O-CG 3.32Å; M45-K49 PolarHBondContact O-N 3.5Å; V46-K49 PolarHBondContact O-N 2.68Å; K49-L51 VanDerWaalsContact C-N 3.35Å; K49-L51 PolarHBondContact O-N 3.23Å; K49-T52 PolarHBondContact O-N 2.83Å; K49-A53 WeakPolarHBondContact O-CB 3.2Å; K49-A53 PolarHBondContact O-N 3.03Å |
| 50 | E | 60.5 | Low | 62.6 | Low | 132 Ų | 132 | 104.1 Ų | 104.1 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 177.8 | -165.4 | 179.5 | 175.7 | 0 | 0 | 112.1 | V46 T47 A53 T54 | V46-E50 PolarHBondContact O-N 2.96Å; T47-E50 PolarHBondContact O-N 3.31Å; E50-A53 PolarHBondContact O-N 3.3Å; E50-T54 PolarHBondContact O-N 3.01Å; E50-T54 PolarHBondContact O-OG1 2.95Å |
| 51 | L | 59.6 | Low | 62.3 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 177 | -163.9 | 128.6 | 0 | 0 | 0 | 112.3 | T47 K49 T54 R55 | T47-L51 VanDerWaalsContact O-CB 3.31Å; T47-L51 WeakPolarHBondContact O-CB 3.44Å; T47-L51 PolarHBondContact O-N 2.91Å; K49-L51 VanDerWaalsContact C-N 3.35Å; K49-L51 PolarHBondContact O-N 3.23Å; L51-T54 VanDerWaalsContact CA-OG1 3.31Å; L51-T54 WeakPolarHBondContact CA-OG1 3.31Å; L51-T54 PolarHBondContact O-OG1 2.92Å; L51-R55 WeakPolarHBondContact O-CB 3.33Å; L51-R55 PolarHBondContact O-N 3.29Å |
| 52 | T | 59.4 | Low | 61.9 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -41.7 | 175 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | A48 K49 R55 L56 | A48-T52 WeakPolarHBondContact O-CB 3.4Å; A48-T52 PolarHBondContact O-N 3.38Å; A48-T52 PolarHBondContact O-OG1 2.86Å; K49-T52 PolarHBondContact O-N 2.83Å; T52-R55 PolarHBondContact O-N 3.04Å; T52-L56 HydrophobicContact CG2-CD1 4.45Å; T52-L56 WeakPolarHBondContact O-CG 3.31Å; T52-L56 PolarHBondContact O-N 3.2Å |
| 53 | A | 58.3 | Low | 61.3 | Low | 53 Ų | 53 | 113.3 Ų | 113.3 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K49 E50 R55 L56 V57 | K49-A53 WeakPolarHBondContact O-CB 3.2Å; K49-A53 PolarHBondContact O-N 3.03Å; E50-A53 PolarHBondContact O-N 3.3Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.75Å; A53-L56 PolarHBondContact O-N 3.18Å; A53-V57 VanDerWaalsContact O-CG2 3.32Å; A53-V57 WeakPolarHBondContact O-CG2 3.45Å; A53-V57 PolarHBondContact O-N 2.97Å |
| 54 | T | 58.3 | Low | 61.2 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -33.9 | 175.9 | 25.8 | 0 | 0 | 0 | 0 | 112.8 | E50 L51 K58 | E50-T54 PolarHBondContact O-N 3.01Å; E50-T54 PolarHBondContact O-OG1 2.95Å; L51-T54 VanDerWaalsContact CA-OG1 3.31Å; L51-T54 WeakPolarHBondContact CA-OG1 3.31Å; L51-T54 PolarHBondContact O-OG1 2.92Å; T54-K58 PolarHBondContact O-N 3.44Å; T54-K58 VanDerWaalsContact O-N 3.17Å |
| 55 | R | 60.7 | Low | 60.9 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 64% | 0.638 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -45.9 | 173.9 | -172.6 | 175.7 | 168.5 | 179.7 | -0.5 | 111.5 | L51 T52 A53 V57 K58 E59 | L51-R55 WeakPolarHBondContact O-CB 3.33Å; L51-R55 PolarHBondContact O-N 3.29Å; T52-R55 PolarHBondContact O-N 3.04Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.75Å; R55-V57 VanDerWaalsContact C-N 3.32Å; R55-V57 PolarHBondContact O-N 2.85Å; R55-K58 PolarHBondContact O-N 2.94Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R55-E59 IonicContact NE-OE2 3.77Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 3.02Å |
| 56 | L | 60.5 | Low | 60.5 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 59% | 0.586 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.6 | -35.8 | 176.9 | -70.9 | 171.2 | 0 | 0 | 0 | 112.7 | T52 A53 E59 G60 | T52-L56 HydrophobicContact CG2-CD1 4.45Å; T52-L56 WeakPolarHBondContact O-CG 3.31Å; T52-L56 PolarHBondContact O-N 3.2Å; A53-L56 PolarHBondContact O-N 3.18Å; L56-E59 PolarHBondContact O-N 3.3Å; L56-G60 PolarHBondContact O-N 2.87Å |
| 57 | V | 60 | Low | 60.3 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 61% | 0.606 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.2 | -33 | 176 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | A53 R55 | A53-V57 VanDerWaalsContact O-CG2 3.32Å; A53-V57 WeakPolarHBondContact O-CG2 3.45Å; A53-V57 PolarHBondContact O-N 2.97Å; R55-V57 VanDerWaalsContact C-N 3.32Å; R55-V57 PolarHBondContact O-N 2.85Å |
| 58 | K | 59.8 | Low | 60.5 | Low | 160 Ų | 160 | 125.1 Ų | 125.1 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.1 | -36 | 173.2 | -77.9 | -174.1 | 177.4 | -176.6 | 0 | 112.2 | T54 R55 | T54-K58 PolarHBondContact O-N 3.44Å; T54-K58 VanDerWaalsContact O-N 3.17Å; R55-K58 PolarHBondContact O-N 2.94Å; R55-K58 VanDerWaalsContact O-N 3.16Å |
| 59 | E | 61.9 | Low | 60.7 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 55% | 0.547 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -77.2 | -34.6 | -177.3 | -160.8 | 155.8 | -171.2 | 0 | 0 | 112.2 | R55 L56 R61 N62 | R55-E59 IonicContact NE-OE2 3.77Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 3.02Å; L56-E59 PolarHBondContact O-N 3.3Å; E59-R61 PolarHBondContact O-N 3.26Å; E59-R61 VanDerWaalsContact O-N 3.07Å; E59-N62 PolarHBondContact O-N 3.06Å |
| 60 | G | 58.5 | Low | 60.7 | Low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -3.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | L56 | L56-G60 PolarHBondContact O-N 2.87Š|
| 61 | R | 60.6 | Low | 61 | Low | 202 Ų | 202 | 131.7 Ų | 131.7 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -5.2 | 176.2 | -73.4 | -167.2 | -77.3 | -177 | -3.6 | 114.3 | E59 | E59-R61 PolarHBondContact O-N 3.26Å; E59-R61 VanDerWaalsContact O-N 3.07Å |
| 62 | N | 60.3 | Low | 61.1 | Low | 145 Ų | 145 | 135.8 Ų | 135.8 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -112.6 | 22.7 | 179.2 | -144.7 | -45.6 | 0 | 0 | 0 | 112.5 | E59 | E59-N62 PolarHBondContact O-N 3.06Š|
| 63 | W | 54.9 | Low | 61.5 | Low | 205 Ų | 205 | 137.8 Ų | 137.8 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.9 | 174.4 | -164 | -105.1 | 0 | 0 | 0 | 109.2 | R65 | W63-R65 PolarHBondContact O-N 2.84Å; W63-R65 VanDerWaalsContact O-N 3.09Å |
| 64 | P | 64.9 | Low | 61.9 | Low | 94 Ų | 94 | 139.7 Ų | 139.7 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.5 | 170.4 | 23.8 | -30 | 0 | 0 | 0 | 107 | A66 | P64-A66 PolarHBondContact O-N 3.15Š|
| 65 | R | 62.2 | Low | 62.3 | Low | 234 Ų | 234 | 141.3 Ų | 141.3 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 118.5 | 174.6 | -168.3 | 179.8 | -168 | -156.9 | 2.9 | 106.5 | W63 E67 | W63-R65 PolarHBondContact O-N 2.84Å; W63-R65 VanDerWaalsContact O-N 3.09Å; R65-E67 VanDerWaalsContact C-N 3.31Å; R65-E67 PolarHBondContact O-N 2.74Å |
| 66 | A | 63.6 | Low | 62.1 | Low | 80 Ų | 80 | 137.5 Ų | 137.5 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | | | trans | -58.6 | 101 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107 | P64 T68 | P64-A66 PolarHBondContact O-N 3.15Å; A66-T68 PolarHBondContact O-N 3.23Å; A66-T68 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 62.4 | Low | 62 | Low | 176 Ų | 176 | 140.1 Ų | 140.1 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | trans | -57.7 | 118.5 | 169.2 | -76 | -175.3 | 149.3 | 0 | 0 | 105.5 | R65 Q69 | R65-E67 VanDerWaalsContact C-N 3.31Å; R65-E67 PolarHBondContact O-N 2.74Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.39Å |
| 68 | T | 63.1 | Low | 61.2 | Low | 129 Ų | 129 | 148.4 Ų | 148.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -58.4 | 102 | 172.2 | -45.4 | 0 | 0 | 0 | 0 | 105.9 | A66 Q70 | A66-T68 PolarHBondContact O-N 3.23Å; A66-T68 VanDerWaalsContact O-N 3.09Å; T68-Q70 VanDerWaalsContact C-N 3.25Å; T68-Q70 PolarHBondContact O-N 3.44Å |
| 69 | Q | 63.8 | Low | 61.3 | Low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -62.3 | 99.6 | 167.9 | -68.9 | -167.1 | -1.9 | 0 | 0 | 105.2 | E67 A71 | E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.39Å; Q69-A71 PolarHBondContact O-N 3.01Å |
| 70 | Q | 61.2 | Low | 61.3 | Low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -52.1 | 111.8 | 168.2 | -71.6 | -116.8 | 56.6 | 0 | 0 | 105.9 | T68 K72 | T68-Q70 VanDerWaalsContact C-N 3.25Å; T68-Q70 PolarHBondContact O-N 3.44Å; Q70-K72 PolarHBondContact O-N 3.04Å |
| 71 | A | 66.5 | Low | 61.4 | Low | 87 Ų | 87 | 154.5 Ų | 154.5 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -56.2 | 114 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q69 V73 | Q69-A71 PolarHBondContact O-N 3.01Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 2.8Å |
| 72 | K | 62.6 | Low | 61.5 | Low | 204 Ų | 204 | 151.7 Ų | 151.7 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | -68.9 | 97.5 | 172.6 | -168.5 | 171.6 | -175.8 | -167.7 | 0 | 106.7 | Q70 P74 | Q70-K72 PolarHBondContact O-N 3.04Å; K72-P74 WeakPolarHBondContact O-CD 3.44Å |
| 73 | V | 67.4 | Low | 61.6 | Low | 122 Ų | 122 | 152.1 Ų | 152.1 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -59.7 | 123.3 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | A71 A75 | A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 2.8Å; V73-A75 PolarHBondContact O-N 3.06Å |
| 74 | P | 67.2 | Low | 62 | Low | 94 Ų | 94 | 148.6 Ų | 148.6 | 61% | 0.61 | 81% | 0.81 | S | S | * | * | | | trans | -67 | 126.5 | 173.5 | 26.2 | -30.2 | 0 | 0 | 0 | 108.6 | K72 S76 | K72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-S76 PolarHBondContact O-N 2.87Å |
| 75 | A | 66.8 | Low | 61.8 | Low | 114 Ų | 114 | 152.5 Ų | 152.5 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -73.9 | 40.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V73 | V73-A75 PolarHBondContact O-N 3.06Š|
| 76 | S | 56.1 | Low | 61.8 | Low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | | | trans | -135.9 | 63.1 | -173 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | P74 | P74-S76 PolarHBondContact O-N 2.87Š|
| 77 | L | 57.9 | Low | 61.6 | Low | 167 Ų | 167 | 151.8 Ų | 151.8 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | | | trans | -149.8 | 59 | 165.8 | -84.4 | 175 | 0 | 0 | 0 | 108 | | |
| 78 | Q | 44.4 | Very low | 61.5 | Low | 273 Ų | 273 | 149.5 Ų | 149.5 | 100% | 1.276 | 83% | 0.834 | S | S | * | * | | | trans | -173.5 | 0 | 158.9 | -106.9 | 167.2 | -12.6 | 0 | 0 | 110.3 | | |