| 1 | M | 35.8 | Very low | 53 | Low | 250 Ų | 250 | 130.1 Ų | 130.1 | 100% | 1.232 | 80% | 0.797 | S | S | * | * | | | | 0 | 125.7 | 0 | -59.3 | -155.3 | 81.3 | 0 | 0 | 107.4 | | |
| 2 | A | 50.5 | Low | 53.4 | Low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 125.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 3 | S | 50.3 | Low | 53.5 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.8 | 179.6 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | I | 52.5 | Low | 54 | Low | 156 Ų | 156 | 121.6 Ų | 121.6 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 121.5 | 172.6 | -57.5 | -177.5 | 0 | 0 | 0 | 106.9 | S6 | I4-S6 PolarHBondContact O-N 3.46Š|
| 5 | P | 53.9 | Low | 54.4 | Low | 105 Ų | 105 | 118.3 Ų | 118.3 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 132.9 | 179.9 | 26.3 | -31.4 | 0 | 0 | 0 | 110.5 | T7 | P5-T7 PolarHBondContact O-N 3.26Š|
| 6 | S | 55.9 | Low | 54.7 | Low | 127 Ų | 127 | 118.6 Ų | 118.6 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 25.5 | -167.8 | -167.3 | 0 | 0 | 0 | 0 | 115.7 | I4 | I4-S6 PolarHBondContact O-N 3.46Š|
| 7 | T | 56.9 | Low | 54.9 | Low | 140 Ų | 140 | 120.6 Ų | 120.6 | 86% | 0.859 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 12.9 | -171 | -30.1 | 0 | 0 | 0 | 0 | 114.3 | P5 | P5-T7 PolarHBondContact O-N 3.26Š|
| 8 | G | 57.6 | Low | 55.4 | Low | 43 Ų | 43 | 123.9 Ų | 123.9 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | | | trans | -107.9 | 12 | -174 | 0 | 0 | 0 | 0 | 0 | 117.3 | L10 A12 | G8-L10 PolarHBondContact O-N 3.25Å; G8-A12 WeakPolarHBondContact O-CB 3.46Å; G8-A12 PolarHBondContact O-N 3.4Å |
| 9 | S | 57.3 | Low | 55.7 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | -162.8 | -171.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 10 | L | 56.4 | Low | 55.9 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -84.2 | -26.2 | -173.9 | -72.9 | 169.3 | 0 | 0 | 0 | 114.3 | G8 T13 | G8-L10 PolarHBondContact O-N 3.25Å; L10-T13 PolarHBondContact O-OG1 2.96Å |
| 11 | I | 55.9 | Low | 56.2 | Low | 139 Ų | 139 | 126.3 Ų | 126.3 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -85.9 | -31.1 | 177.2 | -84.1 | 157.9 | 0 | 0 | 0 | 111.4 | T13 H14 D15 | I11-T13 VanDerWaalsContact C-N 3.29Å; I11-T13 PolarHBondContact O-N 3.22Å; I11-H14 PolarHBondContact O-N 2.89Å; I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 PolarHBondContact O-N 3.33Å |
| 12 | A | 57.5 | Low | 57.3 | Low | 59 Ų | 59 | 117.1 Ų | 117.1 | 49% | 0.488 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.6 | -33.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G8 Y16 | G8-A12 WeakPolarHBondContact O-CB 3.46Å; G8-A12 PolarHBondContact O-N 3.4Å; A12-Y16 VanDerWaalsContact O-CB 3.23Å; A12-Y16 WeakPolarHBondContact O-CB 3.4Å; A12-Y16 PolarHBondContact O-N 2.93Å; A12-Y16 VanDerWaalsContact O-N 3.11Å |
| 13 | T | 55.3 | Low | 57.2 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.5 | -40.3 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | L10 I11 Y17 | L10-T13 PolarHBondContact O-OG1 2.96Å; I11-T13 VanDerWaalsContact C-N 3.29Å; I11-T13 PolarHBondContact O-N 3.22Å; T13-Y17 PolarHBondContact O-N 3.5Å |
| 14 | H | 60.4 | Low | 57.3 | Low | 120 Ų | 120 | 116.5 Ų | 116.5 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -43.4 | 178 | -172.6 | 44.1 | 0 | 0 | 0 | 111.6 | I11 Y16 Y17 R18 | I11-H14 PolarHBondContact O-N 2.89Å; H14-Y16 VanDerWaalsContact C-N 3.33Å; H14-Y16 PolarHBondContact O-N 3.28Å; H14-Y17 PolarHBondContact O-N 2.93Å; H14-R18 PolarHBondContact O-N 3.28Å |
| 15 | D | 59.5 | Low | 57.4 | Low | 71 Ų | 71 | 114 Ų | 114 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.1 | -33.4 | -178.1 | -137.8 | 37.8 | 0 | 0 | 0 | 111.6 | I11 R19 | I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 PolarHBondContact O-N 3.33Å; D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 PolarHBondContact O-N 2.96Å; D15-R19 IonicContact OD2-CZ 3.53Å; D15-R19 IonicContact OD2-NH1 3.72Å; D15-R19 IonicContact OD2-NH2 2.65Å; D15-R19 PolarHBondContact OD2-NH2 3.31Å |
| 16 | Y | 59 | Low | 57.4 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 49% | 0.486 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.8 | -38.1 | 173.3 | -176.9 | -129.9 | 0 | 0 | 0 | 113.1 | A12 H14 R20 | A12-Y16 VanDerWaalsContact O-CB 3.23Å; A12-Y16 WeakPolarHBondContact O-CB 3.4Å; A12-Y16 PolarHBondContact O-N 2.93Å; A12-Y16 VanDerWaalsContact O-N 3.11Å; H14-Y16 VanDerWaalsContact C-N 3.33Å; H14-Y16 PolarHBondContact O-N 3.28Å; Y16-R20 HydrophobicContact CE2-CG 4.25Å; Y16-R20 WeakPolarHBondContact O-CB 3.4Å; Y16-R20 PolarHBondContact O-N 3.21Å; Y16-R20 PolarHBondContact OH-NE 3.21Å; Y16-R20 PolarHBondContact OH-NH1 3.09Å; Y16-R20 PolarHBondContact OH-NH2 3.39Å |
| 17 | Y | 59.3 | Low | 57.3 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.7 | -44.7 | 177.7 | -163.9 | -93.7 | 0 | 0 | 0 | 111.7 | T13 H14 R19 R20 I21 | T13-Y17 PolarHBondContact O-N 3.5Å; H14-Y17 PolarHBondContact O-N 2.93Å; Y17-R19 VanDerWaalsContact C-N 3.32Å; Y17-R19 PolarHBondContact O-N 3.17Å; Y17-R20 PolarHBondContact O-N 3.3Å; Y17-I21 HydrophobicContact CD1-CD1 4.43Å; Y17-I21 HydrophobicContact CD1-CG1 3.86Å; Y17-I21 HydrophobicContact CE1-CD1 3.76Å; Y17-I21 HydrophobicContact CE1-CG1 3.64Å; Y17-I21 HydrophobicContact CE2-CD1 4.26Å; Y17-I21 HydrophobicContact CG-CG1 4.41Å; Y17-I21 VanDerWaalsContact O-CG1 3.23Å; Y17-I21 WeakPolarHBondContact O-CG1 3.43Å; Y17-I21 PolarHBondContact O-N 2.87Å |
| 18 | R | 62.6 | Low | 57.3 | Low | 181 Ų | 181 | 114.1 Ų | 114.1 | 68% | 0.683 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55 | -47.4 | 170.8 | -84.4 | -79.7 | -143.9 | -158 | 3 | 111.6 | H14 G22 | H14-R18 PolarHBondContact O-N 3.28Å; R18-G22 PolarHBondContact O-N 3.39Å |
| 19 | R | 61.3 | Low | 57.1 | Low | 154 Ų | 154 | 116.2 Ų | 116.2 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | -178.8 | -161.9 | 174.5 | -67.8 | 130.4 | 4.5 | 112.1 | D15 Y17 S23 | D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 PolarHBondContact O-N 2.96Å; D15-R19 IonicContact OD2-CZ 3.53Å; D15-R19 IonicContact OD2-NH1 3.72Å; D15-R19 IonicContact OD2-NH2 2.65Å; D15-R19 PolarHBondContact OD2-NH2 3.31Å; Y17-R19 VanDerWaalsContact C-N 3.32Å; Y17-R19 PolarHBondContact O-N 3.17Å; R19-S23 WeakPolarHBondContact O-CB 3.39Å; R19-S23 PolarHBondContact O-N 2.89Å; R19-S23 PolarHBondContact O-OG 3.47Å |
| 20 | R | 59.9 | Low | 57 | Low | 151 Ų | 151 | 117.6 Ų | 117.6 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75 | -40.4 | 177.2 | -110.6 | -160.2 | -69.1 | -166.4 | 10.6 | 114.4 | Y16 Y17 G22 S23 | Y16-R20 HydrophobicContact CE2-CG 4.25Å; Y16-R20 WeakPolarHBondContact O-CB 3.4Å; Y16-R20 PolarHBondContact O-N 3.21Å; Y16-R20 PolarHBondContact OH-NE 3.21Å; Y16-R20 PolarHBondContact OH-NH1 3.09Å; Y16-R20 PolarHBondContact OH-NH2 3.39Å; Y17-R20 PolarHBondContact O-N 3.3Å; R20-G22 VanDerWaalsContact C-N 3.34Å; R20-S23 PolarHBondContact O-N 3.37Å |
| 21 | I | 62.9 | Low | 57.1 | Low | 116 Ų | 116 | 113.5 Ų | 113.5 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.4 | -31.3 | -179.7 | -53.9 | -86.8 | 0 | 0 | 0 | 110.8 | Y17 | Y17-I21 HydrophobicContact CD1-CD1 4.43Å; Y17-I21 HydrophobicContact CD1-CG1 3.86Å; Y17-I21 HydrophobicContact CE1-CD1 3.76Å; Y17-I21 HydrophobicContact CE1-CG1 3.64Å; Y17-I21 HydrophobicContact CE2-CD1 4.26Å; Y17-I21 HydrophobicContact CG-CG1 4.41Å; Y17-I21 VanDerWaalsContact O-CG1 3.23Å; Y17-I21 WeakPolarHBondContact O-CG1 3.43Å; Y17-I21 PolarHBondContact O-N 2.87Å |
| 22 | G | 57.5 | Low | 57.2 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -1.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R18 R20 T24 | R18-G22 PolarHBondContact O-N 3.39Å; R20-G22 VanDerWaalsContact C-N 3.34Å; G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.49Å |
| 23 | S | 49.4 | Very low | 57.3 | Low | 79 Ų | 79 | 114 Ų | 114 | 55% | 0.552 | 65% | 0.652 | S | S | * | * | | | trans | -84 | 72.9 | 175.5 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | R19 R20 S25 | R19-S23 WeakPolarHBondContact O-CB 3.39Å; R19-S23 PolarHBondContact O-N 2.89Å; R19-S23 PolarHBondContact O-OG 3.47Å; R20-S23 PolarHBondContact O-N 3.37Å; S23-S25 PolarHBondContact O-N 3.23Å |
| 24 | T | 51.1 | Low | 57.4 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | | | trans | -58.1 | 123 | 152.6 | 50.6 | 0 | 0 | 0 | 0 | 107 | G22 S26 | G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.49Å; T24-S26 PolarHBondContact O-N 2.89Å |
| 25 | S | 55.7 | Low | 56.8 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -39 | 132.8 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | S23 | S23-S25 PolarHBondContact O-N 3.23Š|
| 26 | S | 54.6 | Low | 57 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | | | trans | 61.9 | 100.9 | 149.7 | -53 | 0 | 0 | 0 | 0 | 117.9 | T24 | T24-S26 PolarHBondContact O-N 2.89Š|
| 27 | N | 53.1 | Low | 57.4 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | | | | -154 | 90.7 | 127.7 | -139.8 | 62.2 | 0 | 0 | 0 | 108.4 | S29 | N27-S29 PolarHBondContact ND2-OG 3.28Å; N27-S29 PolarHBondContact O-N 2.89Å |
| 28 | S | 57.2 | Low | 57.3 | Low | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | | | trans | -69.7 | 80.5 | 157.9 | 53.6 | 0 | 0 | 0 | 0 | 106.7 | C30 | S28-C30 PolarHBondContact O-N 3.23Å; S28-C30 VanDerWaalsContact O-N 3.12Å |
| 29 | S | 52.5 | Low | 57 | Low | 86 Ų | 86 | 118.1 Ų | 118.1 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | | | trans | -59.8 | 114.5 | 171.4 | -66.3 | 0 | 0 | 0 | 0 | 107.9 | N27 G31 | N27-S29 PolarHBondContact ND2-OG 3.28Å; N27-S29 PolarHBondContact O-N 2.89Å; S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 3.05Å |
| 30 | C | 56.3 | Low | 57.1 | Low | 127 Ų | 127 | 115.9 Ų | 115.9 | 86% | 0.858 | 71% | 0.707 | S | S | * | * | | | trans | -49.8 | 96.4 | 158 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | S28 | S28-C30 PolarHBondContact O-N 3.23Å; S28-C30 VanDerWaalsContact O-N 3.12Å |
| 31 | G | 58.3 | Low | 57.3 | Low | 68 Ų | 68 | 114 Ų | 114 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | -115 | 49.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S29 | S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 3.05Å |
| 32 | S | 57.5 | Low | 57 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | | | trans | -140.7 | 68.7 | 173.5 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 33 | S | 60.4 | Low | 57.3 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -122.9 | -1.2 | 165.7 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 34 | E | 57.9 | Low | 57.9 | Low | 170 Ų | 170 | 120.5 Ų | 120.5 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -119.2 | 51.8 | -176.3 | -35.1 | -53.6 | 138.7 | 0 | 0 | 112.8 | | |
| 35 | Y | 47.3 | Very low | 58.1 | Low | 205 Ų | 205 | 117.5 Ų | 117.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -103.9 | 87.8 | 158 | -172.9 | -104.2 | 0 | 0 | 0 | 109.1 | G37 | Y35-G37 PolarHBondContact O-N 3.23Š|
| 36 | A | 63.9 | Low | 58.1 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | | | trans | -77.4 | 94.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 37 | G | 66.9 | Low | 58.3 | Low | 35 Ų | 35 | 119.8 Ų | 119.8 | 36% | 0.361 | 72% | 0.724 | S | S | . | * | | | trans | -170.5 | 36.7 | -175 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y35 | Y35-G37 PolarHBondContact O-N 3.23Š|
| 38 | E | 56.4 | Low | 58.5 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | 176.3 | 104.5 | 135.2 | -104.9 | -171.3 | 160.7 | 0 | 0 | 107.2 | I40 | E38-I40 VanDerWaalsContact C-N 3.29Å; E38-I40 PolarHBondContact O-N 2.85Å |
| 39 | V | 57.6 | Low | 58.6 | Low | 141 Ų | 141 | 124.8 Ų | 124.8 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | | | trans | -75.3 | 88.1 | 172.8 | 174 | 0 | 0 | 0 | 0 | 107.3 | | |
| 40 | I | 62.8 | Low | 58.9 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 54% | 0.544 | 72% | 0.719 | S | S | . | * | | | trans | -75.8 | 126.9 | 154.6 | -58.5 | 174.9 | 0 | 0 | 0 | 105.1 | E38 H42 | E38-I40 VanDerWaalsContact C-N 3.29Å; E38-I40 PolarHBondContact O-N 2.85Å; I40-H42 PolarHBondContact O-CD2 3.08Å; I40-H42 PolarHBondContact O-N 3.49Å; I40-H42 PolarHBondContact O-NE2 3.25Å |
| 41 | P | 65 | Low | 59.2 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | | | trans | -57.2 | 100.5 | 175.7 | -23 | 32.9 | 0 | 0 | 0 | 109.6 | P43 | P41-P43 VanDerWaalsContact O-CD 3.29Å; P41-P43 WeakPolarHBondContact O-CD 3.35Å |
| 42 | H | 55.7 | Low | 59.5 | Low | 153 Ų | 153 | 123.9 Ų | 123.9 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | | | trans | -74 | 117.4 | -178.8 | -67.5 | -72.8 | 0 | 0 | 0 | 108.1 | I40 | I40-H42 PolarHBondContact O-CD2 3.08Å; I40-H42 PolarHBondContact O-N 3.49Å; I40-H42 PolarHBondContact O-NE2 3.25Å |
| 43 | P | 64 | Low | 60.2 | Low | 90 Ų | 90 | 123.4 Ų | 123.4 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | | | trans | -62.3 | 136.5 | 178.5 | 23.9 | -31.7 | 0 | 0 | 0 | 109.7 | P41 G45 | P41-P43 VanDerWaalsContact O-CD 3.29Å; P41-P43 WeakPolarHBondContact O-CD 3.35Å; P43-G45 VanDerWaalsContact C-N 3.3Å; P43-G45 PolarHBondContact O-N 2.98Å |
| 44 | P | 60.8 | Low | 61.1 | Low | 144 Ų | 144 | 127.6 Ų | 127.6 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 89.4 | 175.4 | 28.1 | -31.9 | 0 | 0 | 0 | 108.6 | | |
| 45 | G | 56 | Low | 62.1 | Low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.7 | -6.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | P43 Q47 | P43-G45 VanDerWaalsContact C-N 3.3Å; P43-G45 PolarHBondContact O-N 2.98Å; G45-Q47 PolarHBondContact O-N 2.95Å |
| 46 | L | 56.3 | Low | 63.1 | Low | 151 Ų | 151 | 117.2 Ų | 117.2 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | | | trans | -78.9 | 97.9 | 170.5 | -123.8 | 86 | 0 | 0 | 0 | 109.4 | R48 | L46-R48 PolarHBondContact O-N 3.03Š|
| 47 | Q | 58.5 | Low | 63.3 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | | | trans | -41.4 | 112.6 | 158.6 | 40.7 | -173.1 | -46.8 | 0 | 0 | 107.9 | G45 Q49 | G45-Q47 PolarHBondContact O-N 2.95Å; Q47-Q49 PolarHBondContact O-N 3.02Å |
| 48 | R | 57.5 | Low | 63.7 | Low | 233 Ų | 233 | 120.4 Ų | 120.4 | 88% | 0.879 | 64% | 0.636 | S | S | * | * | | | trans | -57.5 | 95.8 | 175.8 | -67.6 | 174.1 | 67.2 | 175.1 | 1.5 | 105.8 | L46 D50 | L46-R48 PolarHBondContact O-N 3.03Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.44Å |
| 49 | Q | 59.7 | Low | 64.5 | Low | 136 Ų | 136 | 119.4 Ų | 119.4 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | | | trans | -69.6 | 97.8 | 173.2 | -165.1 | -170.6 | -12.9 | 0 | 0 | 104.3 | Q47 S51 | Q47-Q49 PolarHBondContact O-N 3.02Å; Q49-S51 PolarHBondContact O-N 2.63Å |
| 50 | D | 58.8 | Low | 65.1 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | | | trans | -48.6 | 116.4 | 174.2 | -98.9 | -43.1 | 0 | 0 | 0 | 107.3 | R48 G52 H53 | R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.44Å; D50-G52 PolarHBondContact O-N 3.32Å; D50-H53 PolarHBondContact O-N 3.15Å |
| 51 | S | 60.9 | Low | 65 | Low | 111 Ų | 111 | 118.3 Ų | 118.3 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -61.1 | -2.2 | -179.1 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | Q49 | Q49-S51 PolarHBondContact O-N 2.63Š|
| 52 | G | 65.8 | Low | 64.7 | Low | 41 Ų | 41 | 120.7 Ų | 120.7 | 42% | 0.423 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -77.3 | -8.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D50 W55 | D50-G52 PolarHBondContact O-N 3.32Å; G52-W55 PolarHBondContact O-NE1 3Å; G52-W55 VanDerWaalsContact O-NE1 3.14Å |
| 53 | H | 71.6 | Confident | 65 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 50% | 0.5 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -120 | 21.7 | -169.1 | -64.2 | -55.4 | 0 | 0 | 0 | 115.5 | D50 W55 S56 | D50-H53 PolarHBondContact O-N 3.15Å; H53-W55 VanDerWaalsContact C-N 3.27Å; H53-W55 PolarHBondContact O-N 3.12Å; H53-S56 WeakPolarHBondContact CB-OG 3.44Å; H53-S56 PolarHBondContact O-N 2.87Å; H53-S56 PolarHBondContact O-OG 3Å |
| 54 | W | 78.9 | Confident | 64.6 | Low | 180 Ų | 180 | 124.2 Ų | 124.2 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -31.7 | 177.8 | 69.7 | -91 | 0 | 0 | 0 | 113.1 | F58 | W54-F58 HydrophobicContact CE3-CE2 4.13Å; W54-F58 HydrophobicContact CZ3-CE2 4.09Å |
| 55 | W | 79.7 | Confident | 64.4 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 49% | 0.485 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -23.1 | -178.7 | 60 | -92.8 | 0 | 0 | 0 | 113 | G52 H53 S57 F58 F59 | G52-W55 PolarHBondContact O-NE1 3Å; G52-W55 VanDerWaalsContact O-NE1 3.14Å; H53-W55 VanDerWaalsContact C-N 3.27Å; H53-W55 PolarHBondContact O-N 3.12Å; W55-S57 PolarHBondContact O-N 3.27Å; W55-F58 PolarHBondContact O-N 3.46Å; W55-F59 HydrophobicContact CE3-CD2 4.28Å |
| 56 | S | 67.8 | Low | 63.8 | Low | 28 Ų | 28 | 127 Ų | 127 | 20% | 0.196 | 62% | 0.618 | C | S | . | * | H | α-helix | trans | -71.2 | -18.7 | 179.6 | 41 | 0 | 0 | 0 | 0 | 113.4 | H53 F58 F59 F60 | H53-S56 WeakPolarHBondContact CB-OG 3.44Å; H53-S56 PolarHBondContact O-N 2.87Å; H53-S56 PolarHBondContact O-OG 3Å; S56-F58 PolarHBondContact O-N 3.2Å; S56-F59 PolarHBondContact O-N 3.31Å; S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 PolarHBondContact O-N 3.48Å |
| 57 | S | 69.5 | Low | 63.3 | Low | 52 Ų | 52 | 124.5 Ų | 124.5 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -24.4 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | W55 P61 | W55-S57 PolarHBondContact O-N 3.27Å; S57-P61 WeakPolarHBondContact O-CA 3.34Å |
| 58 | F | 74.3 | Confident | 62.5 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.6 | -35.5 | 176.7 | -67.5 | -77.6 | 0 | 0 | 0 | 112.8 | W54 W55 S56 | W54-F58 HydrophobicContact CE3-CE2 4.13Å; W54-F58 HydrophobicContact CZ3-CE2 4.09Å; W55-F58 PolarHBondContact O-N 3.46Å; S56-F58 PolarHBondContact O-N 3.2Å |
| 59 | F | 73.1 | Confident | 62.1 | Low | 150 Ų | 150 | 116 Ų | 116 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -92.5 | -24.9 | -178.7 | -64.4 | -79.4 | 0 | 0 | 0 | 112.5 | W55 S56 P61 | W55-F59 HydrophobicContact CE3-CD2 4.28Å; S56-F59 PolarHBondContact O-N 3.31Å; F59-P61 VanDerWaalsContact C-CD 3.41Å |
| 60 | F | 69.9 | Low | 61 | Low | 124 Ų | 124 | 118.2 Ų | 118.2 | 54% | 0.544 | 62% | 0.622 | S | S | . | * | | | trans | -130.5 | 62.9 | -179.1 | -51.8 | -73.8 | 0 | 0 | 0 | 111.5 | S56 N62 K63 | S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 PolarHBondContact O-N 3.48Å; F60-N62 PolarHBondContact O-N 3.14Å; F60-K63 HydrophobicContact CB-CB 4.02Å; F60-K63 HydrophobicContact CB-CG 4.27Å; F60-K63 PolarHBondContact O-N 2.86Å; F60-K63 VanDerWaalsContact O-N 3.1Å |
| 61 | P | 61.9 | Low | 60.4 | Low | 101 Ų | 101 | 121.1 Ų | 121.1 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -18.1 | -178.5 | 22.1 | -32.1 | 0 | 0 | 0 | 113.7 | S57 F59 | S57-P61 WeakPolarHBondContact O-CA 3.34Å; F59-P61 VanDerWaalsContact C-CD 3.41Å |
| 62 | N | 58.4 | Low | 59.6 | Low | 163 Ų | 163 | 119 Ų | 119 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 9.6 | -179 | -132.4 | 65.4 | 0 | 0 | 0 | 114.4 | F60 | F60-N62 PolarHBondContact O-N 3.14Š|
| 63 | K | 61 | Low | 58.4 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | | | trans | -113.5 | 25.3 | -179.5 | -79.6 | -81.4 | -173.3 | 179 | 0 | 112.3 | F60 N65 | F60-K63 HydrophobicContact CB-CB 4.02Å; F60-K63 HydrophobicContact CB-CG 4.27Å; F60-K63 PolarHBondContact O-N 2.86Å; F60-K63 VanDerWaalsContact O-N 3.1Å; K63-N65 PolarHBondContact O-N 3.36Å; K63-N65 VanDerWaalsContact O-N 3.16Å |
| 64 | Q | 56.7 | Low | 57.1 | Low | 139 Ų | 139 | 125.8 Ų | 125.8 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -70.8 | 111.9 | 167 | -169 | 129.7 | -19.6 | 0 | 0 | 108.2 | Q66 | Q64-Q66 PolarHBondContact O-N 3.39Š|
| 65 | N | 55.9 | Low | 55.5 | Low | 95 Ų | 95 | 124.4 Ų | 124.4 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | | | trans | 8.7 | 109.3 | 163.5 | -69.9 | -65 | 0 | 0 | 0 | 115.4 | K63 P67 | K63-N65 PolarHBondContact O-N 3.36Å; K63-N65 VanDerWaalsContact O-N 3.16Å; N65-P67 WeakPolarHBondContact O-CD 3.33Å |
| 66 | Q | 43.5 | Very low | 53.9 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | | | trans | -86.7 | 100.2 | 163.4 | -79.3 | -85.3 | -16.8 | 0 | 0 | 108.9 | Q64 | Q64-Q66 PolarHBondContact O-N 3.39Š|
| 67 | P | 45.4 | Very low | 52.9 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | -87.2 | 107.4 | 150.1 | 33.8 | -27.3 | 0 | 0 | 0 | 107.4 | N65 | N65-P67 WeakPolarHBondContact O-CD 3.33Š|
| 68 | G | 43 | Very low | 52.2 | Low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 81.7 | 117 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M70 | G68-M70 PolarHBondContact O-N 3.24Š|
| 69 | S | 48.8 | Very low | 50.8 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | trans | -22 | 105.7 | 145.3 | 168.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | M | 36.8 | Very low | 49.8 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | | | trans | -132.2 | 115.2 | 146.8 | -75.8 | -144 | -84.3 | 0 | 0 | 109.9 | G68 | G68-M70 PolarHBondContact O-N 3.24Š|
| 71 | I | 45.3 | Very low | 48.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | | | trans | -20.1 | 132.8 | 159 | -75.9 | 145.1 | 0 | 0 | 0 | 114.7 | | |
| 72 | G | 44.7 | Very low | 48.5 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | 104.3 | 83.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 73 | S | 39.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | | 179.7 | 105.2 | 128.8 | 37 | 0 | 0 | 0 | 0 | 108.9 | Q75 | S73-Q75 PolarHBondContact O-N 3.05Š|
| 74 | E | 45.8 | Very low | 48 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -58.7 | 133.4 | 157.8 | -55.9 | -155.3 | 136.2 | 0 | 0 | 108.3 | | |
| 75 | Q | 43.9 | Very low | 48.3 | Very low | 152 Ų | 152 | 127 Ų | 127 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | | | | 161 | 116.9 | 106.9 | -77.5 | -158.8 | -5.4 | 0 | 0 | 111 | S73 | S73-Q75 PolarHBondContact O-N 3.05Š|
| 76 | K | 47.1 | Very low | 48.4 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | | 80 | 100 | 122.4 | -158.7 | 157.4 | 175.6 | 175 | 0 | 116.8 | | |
| 77 | S | 45.2 | Very low | 49.2 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | | 172.1 | 125 | 105.1 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 78 | G | 54.8 | Low | 50.2 | Low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | 92.3 | 36.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y80 | G78-Y80 PolarHBondContact O-N 3.27Š|
| 79 | T | 46.8 | Very low | 51.6 | Low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -64.6 | 101.3 | 158.3 | -55.8 | 0 | 0 | 0 | 0 | 107.9 | T81 | T79-T81 HydrophobicContact CG2-CG2 4.13Å; T79-T81 PolarHBondContact O-N 2.59Å |
| 80 | Y | 50.3 | Low | 53 | Low | 199 Ų | 199 | 129.2 Ų | 129.2 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | -66.5 | 101.8 | 164.9 | 61 | -86.6 | 0 | 0 | 0 | 106.8 | G78 V82 | G78-Y80 PolarHBondContact O-N 3.27Å; Y80-V82 HydrophobicContact CD2-CG2 3.79Å; Y80-V82 HydrophobicContact CE2-CG2 3.94Å; Y80-V82 PolarHBondContact O-N 3.03Å; Y80-V82 VanDerWaalsContact O-N 3.12Å |
| 81 | T | 49.7 | Very low | 54.9 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -73.6 | 103.2 | 173.5 | 46.2 | 0 | 0 | 0 | 0 | 107.4 | T79 T83 | T79-T81 HydrophobicContact CG2-CG2 4.13Å; T79-T81 PolarHBondContact O-N 2.59Å; T81-T83 PolarHBondContact O-N 3.29Å |
| 82 | V | 56 | Low | 56.4 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | | | trans | -68.6 | 88.3 | 165.6 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | Y80 | Y80-V82 HydrophobicContact CD2-CG2 3.79Å; Y80-V82 HydrophobicContact CE2-CG2 3.94Å; Y80-V82 PolarHBondContact O-N 3.03Å; Y80-V82 VanDerWaalsContact O-N 3.12Å |
| 83 | T | 53.5 | Low | 58.1 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | -95.1 | 114.2 | 169.4 | 52.8 | 0 | 0 | 0 | 0 | 108 | T81 | T81-T83 PolarHBondContact O-N 3.29Š|
| 84 | N | 56 | Low | 60.1 | Low | 162 Ų | 162 | 125.9 Ų | 125.9 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 58.1 | 65.7 | 155.5 | -143.4 | -61.3 | 0 | 0 | 0 | 118.9 | | |
| 85 | G | 61.8 | Low | 62 | Low | 69 Ų | 69 | 122.4 Ų | 122.4 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 95.4 | 13.1 | 136 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 86 | Q | 58.9 | Low | 63.9 | Low | 187 Ų | 187 | 121.1 Ų | 121.1 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | | | trans | -131.9 | 86.4 | 170.8 | -67.1 | -174.6 | -14.7 | 0 | 0 | 111.4 | A88 | Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 3.42Å; Q86-A88 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 60.3 | Low | 65.6 | Low | 136 Ų | 136 | 118.1 Ų | 118.1 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | | | trans | -77.1 | 87.8 | 162.5 | -175.6 | 0 | 0 | 0 | 0 | 106.8 | C89 | V87-C89 PolarHBondContact O-N 2.86Š|
| 88 | A | 65.3 | Low | 67.5 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | | | trans | -66 | 119.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | Q86 I90 | Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 3.42Å; Q86-A88 VanDerWaalsContact O-N 3.08Å; A88-I90 PolarHBondContact O-N 3.28Å |
| 89 | C | 73.3 | Confident | 68.7 | Low | 76 Ų | 76 | 119.9 Ų | 119.9 | 51% | 0.514 | 65% | 0.649 | S | S | . | * | | | trans | -67.9 | 101.9 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | V87 A91 R92 | V87-C89 PolarHBondContact O-N 2.86Å; C89-A91 PolarHBondContact O-N 2.94Å; C89-R92 HydrophobicContact CB-CG 4.35Å; C89-R92 PolarHBondContact O-N 3.02Å |
| 90 | I | 77.4 | Confident | 70.4 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55.6 | -27.4 | -176.2 | -46.2 | -175.5 | 0 | 0 | 0 | 111.4 | A88 R92 E93 M94 | A88-I90 PolarHBondContact O-N 3.28Å; I90-R92 VanDerWaalsContact C-N 3.3Å; I90-R92 PolarHBondContact O-N 3.46Å; I90-E93 PolarHBondContact O-N 3.24Å; I90-M94 HydrophobicContact CB-CE 4.2Å; I90-M94 HydrophobicContact CG2-CE 3.39Å; I90-M94 HydrophobicContact CG2-CG 4.4Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 2.87Å |
| 91 | A | 77.6 | Confident | 71.7 | Confident | 60 Ų | 60 | 113.1 Ų | 113.1 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.4 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C89 M94 V95 | C89-A91 PolarHBondContact O-N 2.94Å; A91-M94 PolarHBondContact O-N 3.1Å; A91-V95 WeakPolarHBondContact O-CG2 3.38Å; A91-V95 PolarHBondContact O-N 3.23Å; A91-V95 VanDerWaalsContact O-N 3.15Å |
| 92 | R | 77.3 | Confident | 73 | Confident | 192 Ų | 192 | 113.8 Ų | 113.8 | 73% | 0.725 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -39.9 | 178.8 | -64.7 | -175.2 | 179.3 | -171.4 | -0.6 | 111.3 | C89 I90 V95 L96 | C89-R92 HydrophobicContact CB-CG 4.35Å; C89-R92 PolarHBondContact O-N 3.02Å; I90-R92 VanDerWaalsContact C-N 3.3Å; I90-R92 PolarHBondContact O-N 3.46Å; R92-V95 PolarHBondContact O-N 3.11Å; R92-L96 WeakPolarHBondContact O-CG 3.46Å; R92-L96 PolarHBondContact O-N 3.33Å; R92-L96 VanDerWaalsContact O-N 3.09Å |
| 93 | E | 79.3 | Confident | 73.7 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.5 | -40.4 | 177.3 | -167.7 | -175.5 | 141.2 | 0 | 0 | 111.7 | I90 V95 L96 K97 | I90-E93 PolarHBondContact O-N 3.24Å; E93-V95 PolarHBondContact O-N 3.32Å; E93-L96 PolarHBondContact O-N 3.16Å; E93-K97 HydrophobicContact CG-CD 4.21Å; E93-K97 WeakPolarHBondContact O-CB 3.34Å; E93-K97 WeakPolarHBondContact O-CG 3.27Å; E93-K97 PolarHBondContact O-N 3.48Å; E93-K97 VanDerWaalsContact OE1-CE 3.27Å; E93-K97 WeakPolarHBondContact OE1-CE 3.21Å; E93-K97 IonicContact OE1-NZ 2.63Å; E93-K97 PolarHBondContact OE1-NZ 3.48Å |
| 94 | M | 81.5 | Confident | 74.1 | Confident | 122 Ų | 122 | 114.1 Ų | 114.1 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.8 | -38.5 | 176.7 | -64.8 | -170.7 | -154.4 | 0 | 0 | 112.5 | I90 A91 K98 | I90-M94 HydrophobicContact CB-CE 4.2Å; I90-M94 HydrophobicContact CG2-CE 3.39Å; I90-M94 HydrophobicContact CG2-CG 4.4Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 2.87Å; A91-M94 PolarHBondContact O-N 3.1Å; M94-K98 WeakPolarHBondContact O-CB 3.23Å; M94-K98 PolarHBondContact O-N 3.35Å |
| 95 | V | 85.8 | Confident | 74.3 | Confident | 99 Ų | 99 | 110.4 Ų | 110.4 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -43.7 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | A91 R92 E93 K98 Q99 | A91-V95 WeakPolarHBondContact O-CG2 3.38Å; A91-V95 PolarHBondContact O-N 3.23Å; A91-V95 VanDerWaalsContact O-N 3.15Å; R92-V95 PolarHBondContact O-N 3.11Å; E93-V95 PolarHBondContact O-N 3.32Å; V95-K98 PolarHBondContact O-N 3.02Å; V95-Q99 WeakPolarHBondContact O-CB 3.33Å; V95-Q99 PolarHBondContact O-N 2.85Å |
| 96 | L | 84.5 | Confident | 74 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 176.6 | -70.6 | 173.2 | 0 | 0 | 0 | 111.8 | R92 E93 K98 Q99 L100 | R92-L96 WeakPolarHBondContact O-CG 3.46Å; R92-L96 PolarHBondContact O-N 3.33Å; R92-L96 VanDerWaalsContact O-N 3.09Å; E93-L96 PolarHBondContact O-N 3.16Å; L96-K98 PolarHBondContact O-N 3.35Å; L96-Q99 PolarHBondContact O-N 2.74Å; L96-L100 WeakPolarHBondContact O-CB 3.23Å; L96-L100 PolarHBondContact O-N 3.35Å |
| 97 | K | 83.3 | Confident | 73.8 | Confident | 130 Ų | 130 | 108.6 Ų | 108.6 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61 | -42.6 | 174.8 | -78.9 | 177.6 | 170.6 | 171.6 | 0 | 111.9 | E93 Q99 L100 S101 | E93-K97 HydrophobicContact CG-CD 4.21Å; E93-K97 WeakPolarHBondContact O-CB 3.34Å; E93-K97 WeakPolarHBondContact O-CG 3.27Å; E93-K97 PolarHBondContact O-N 3.48Å; E93-K97 VanDerWaalsContact OE1-CE 3.27Å; E93-K97 WeakPolarHBondContact OE1-CE 3.21Å; E93-K97 IonicContact OE1-NZ 2.63Å; E93-K97 PolarHBondContact OE1-NZ 3.48Å; K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 PolarHBondContact O-N 3.32Å; K97-L100 PolarHBondContact O-N 3.05Å; K97-S101 WeakPolarHBondContact O-CB 3.41Å; K97-S101 PolarHBondContact O-N 3.05Å; K97-S101 PolarHBondContact O-OG 2.89Å |
| 98 | K | 83.9 | Confident | 73.5 | Confident | 146 Ų | 146 | 107 Ų | 107 | 64% | 0.635 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.8 | -33.1 | 176.3 | -173 | 179.8 | -180 | -172 | 0 | 112.7 | M94 V95 L96 S101 R102 | M94-K98 WeakPolarHBondContact O-CB 3.23Å; M94-K98 PolarHBondContact O-N 3.35Å; V95-K98 PolarHBondContact O-N 3.02Å; L96-K98 PolarHBondContact O-N 3.35Å; K98-S101 WeakPolarHBondContact CA-OG 3.37Å; K98-S101 PolarHBondContact O-OG 2.74Å; K98-S101 VanDerWaalsContact O-OG 3.05Å; K98-R102 WeakPolarHBondContact O-CB 3.4Å; K98-R102 PolarHBondContact O-N 2.89Å; K98-R102 PolarHBondContact O-NH1 3.34Å |
| 99 | Q | 80.9 | Confident | 72.8 | Confident | 81 Ų | 81 | 110.2 Ų | 110.2 | 38% | 0.379 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.5 | -47.6 | 174 | -173.7 | 64.4 | 19.6 | 0 | 0 | 111.1 | V95 L96 K97 R102 Q103 | V95-Q99 WeakPolarHBondContact O-CB 3.33Å; V95-Q99 PolarHBondContact O-N 2.85Å; L96-Q99 PolarHBondContact O-N 2.74Å; K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 PolarHBondContact O-N 3.32Å; Q99-R102 PolarHBondContact O-N 3.34Å; Q99-Q103 WeakPolarHBondContact O-CG 3.37Å; Q99-Q103 PolarHBondContact O-N 2.65Å |
| 100 | L | 82.3 | Confident | 71.6 | Confident | 120 Ų | 120 | 111.5 Ų | 111.5 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.7 | -43.6 | 179.3 | -169.6 | 156.3 | 0 | 0 | 0 | 111.3 | L96 K97 R102 Q103 L104 | L96-L100 WeakPolarHBondContact O-CB 3.23Å; L96-L100 PolarHBondContact O-N 3.35Å; K97-L100 PolarHBondContact O-N 3.05Å; L100-R102 PolarHBondContact O-N 3.3Å; L100-Q103 PolarHBondContact O-N 3.41Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.47Å |
| 101 | S | 77.8 | Confident | 70.1 | Confident | 65 Ų | 65 | 109.7 Ų | 109.7 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62 | -34.9 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | K97 K98 S105 | K97-S101 WeakPolarHBondContact O-CB 3.41Å; K97-S101 PolarHBondContact O-N 3.05Å; K97-S101 PolarHBondContact O-OG 2.89Å; K98-S101 WeakPolarHBondContact CA-OG 3.37Å; K98-S101 PolarHBondContact O-OG 2.74Å; K98-S101 VanDerWaalsContact O-OG 3.05Å; S101-S105 VanDerWaalsContact O-CB 3.29Å; S101-S105 WeakPolarHBondContact O-CB 3.09Å; S101-S105 PolarHBondContact O-N 3.05Å |
| 102 | R | 76.2 | Confident | 68.3 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 46% | 0.457 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.5 | -41.9 | 177.9 | -160.8 | 161.4 | 75.7 | -93.5 | 5.2 | 111.9 | K98 Q99 L100 L104 S105 E106 | K98-R102 WeakPolarHBondContact O-CB 3.4Å; K98-R102 PolarHBondContact O-N 2.89Å; K98-R102 PolarHBondContact O-NH1 3.34Å; Q99-R102 PolarHBondContact O-N 3.34Å; L100-R102 PolarHBondContact O-N 3.3Å; R102-L104 PolarHBondContact O-N 3.12Å; R102-S105 PolarHBondContact O-N 2.97Å; R102-E106 WeakPolarHBondContact O-CB 2.95Å; R102-E106 PolarHBondContact O-N 2.87Å |
| 103 | Q | 70.1 | Confident | 66.9 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 51% | 0.505 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.4 | -43.2 | 172.4 | -70.3 | -79.7 | 18.7 | 0 | 0 | 111.9 | Q99 L100 S105 E106 S107 | Q99-Q103 WeakPolarHBondContact O-CG 3.37Å; Q99-Q103 PolarHBondContact O-N 2.65Å; L100-Q103 PolarHBondContact O-N 3.41Å; Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-E106 PolarHBondContact O-N 3.01Å; Q103-S107 WeakPolarHBondContact O-CB 3.29Å; Q103-S107 PolarHBondContact O-N 2.83Å |
| 104 | L | 62.5 | Low | 65.4 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.3 | -36.7 | 177.6 | -166.8 | 68.3 | 0 | 0 | 0 | 111.9 | L100 R102 E106 S108 | L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.47Å; R102-L104 PolarHBondContact O-N 3.12Å; L104-E106 VanDerWaalsContact C-N 3.33Å; L104-S108 PolarHBondContact O-N 2.91Å; L104-S108 VanDerWaalsContact O-N 3.17Å |
| 105 | S | 60.5 | Low | 63.4 | Low | 85 Ų | 85 | 121.1 Ų | 121.1 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -33.9 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | S101 R102 Q103 | S101-S105 VanDerWaalsContact O-CB 3.29Å; S101-S105 WeakPolarHBondContact O-CB 3.09Å; S101-S105 PolarHBondContact O-N 3.05Å; R102-S105 PolarHBondContact O-N 2.97Å; Q103-S105 VanDerWaalsContact C-N 3.34Å |
| 106 | E | 55.5 | Low | 61.3 | Low | 136 Ų | 136 | 119.3 Ų | 119.3 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.6 | -38.6 | 178.2 | -151.6 | 168.7 | 113.1 | 0 | 0 | 111.3 | R102 Q103 L104 S108 N109 | R102-E106 WeakPolarHBondContact O-CB 2.95Å; R102-E106 PolarHBondContact O-N 2.87Å; Q103-E106 PolarHBondContact O-N 3.01Å; L104-E106 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 2.78Å; E106-N109 PolarHBondContact O-N 3.48Å |
| 107 | S | 54.9 | Low | 59.7 | Low | 81 Ų | 81 | 119 Ų | 119 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.3 | -17.3 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | Q103 N109 S110 | Q103-S107 WeakPolarHBondContact O-CB 3.29Å; Q103-S107 PolarHBondContact O-N 2.83Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-S110 PolarHBondContact O-OG 3.29Å |
| 108 | S | 54.5 | Low | 58.3 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -10.3 | 175 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | L104 E106 | L104-S108 PolarHBondContact O-N 2.91Å; L104-S108 VanDerWaalsContact O-N 3.17Å; E106-S108 PolarHBondContact O-N 2.78Å |
| 109 | N | 49.6 | Very low | 56.8 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -97.3 | -1.7 | -178.6 | -165.6 | 56.8 | 0 | 0 | 0 | 113.8 | E106 S107 G111 | E106-N109 PolarHBondContact O-N 3.48Å; S107-N109 VanDerWaalsContact C-N 3.32Å; N109-G111 PolarHBondContact O-N 3.11Å |
| 110 | S | 47.5 | Very low | 55.6 | Low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | | | trans | -88.4 | 28.7 | 179.9 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | S107 | S107-S110 PolarHBondContact O-OG 3.29Š|
| 111 | G | 46.8 | Very low | 54.3 | Low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | | | trans | -116.7 | 14.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N109 | N109-G111 PolarHBondContact O-N 3.11Š|
| 112 | K | 40.6 | Very low | 53.2 | Low | 205 Ų | 205 | 125.2 Ų | 125.2 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | trans | -122.9 | 87.1 | 174.6 | -133.6 | 178.6 | -179.8 | -176.8 | 0 | 111 | E114 | K112-E114 PolarHBondContact O-N 2.99Š|
| 113 | V | 47.7 | Very low | 52 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -59.4 | 127.1 | 167.4 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 114 | E | 46.5 | Very low | 51 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 10.8 | 116.9 | 148.2 | -142.7 | -167.2 | 136.9 | 0 | 0 | 117.2 | K112 | K112-E114 PolarHBondContact O-N 2.99Š|
| 115 | Q | 40.5 | Very low | 50.3 | Low | 198 Ų | 198 | 126.6 Ų | 126.6 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -130.2 | 113.7 | 152.4 | -97.8 | 179.4 | -16.4 | 0 | 0 | 108.4 | | |
| 116 | G | 41.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 157.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 117 | S | 51.3 | Low | 49.3 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.8 | 166 | -170.1 | 0 | 0 | 0 | 0 | 111 | | |
| 118 | P | 53.8 | Low | 48.8 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 155.7 | 148.7 | 32.8 | -26.8 | 0 | 0 | 0 | 110.7 | | |
| 119 | P | 52.2 | Low | 48.4 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 157.8 | -175.4 | 33.5 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 120 | P | 56.3 | Low | 48.3 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 131.7 | 172 | 30.9 | -31.9 | 0 | 0 | 0 | 111.2 | | |
| 121 | S | 55 | Low | 48.4 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 100% | 1.392 | 84% | 0.842 | S | S | * | * | | | trans | -78.7 | 0 | 164.4 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | | |