| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 64.4 | Low | 248 Ų | 248 | 122.4 Ų | 122.4 | 100% | 1.222 | 72% | 0.718 | S | S | * | * | 0 | 96.4 | 0 | -72.7 | 175.5 | 174.6 | 0 | 0 | 107.4 | |||||
| 2 | A | 44.7 | Very low | 65.2 | Low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -87.4 | 111.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108 | T4 | A2-T4 PolarHBondContact O-N 3.44Š| ||
| 3 | A | 60.9 | Low | 66.3 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -81.3 | 108.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | I5 | A3-I5 PolarHBondContact O-N 3.27Š| ||
| 4 | T | 63.6 | Low | 67.1 | Low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -68.2 | 119.2 | 166.2 | -51.8 | 0 | 0 | 0 | 0 | 107.4 | A2 D6 | A2-T4 PolarHBondContact O-N 3.44Å; T4-D6 PolarHBondContact O-N 3.2Å | ||
| 5 | I | 66.2 | Low | 67.9 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | trans | -84.1 | 101.4 | 174.6 | -48.4 | 166.9 | 0 | 0 | 0 | 105.7 | A3 L7 | A3-I5 PolarHBondContact O-N 3.27Å; I5-L7 PolarHBondContact O-N 3.47Å | ||
| 6 | D | 64.2 | Low | 68.6 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | trans | -78.8 | 107.5 | 178.2 | -119 | -15.2 | 0 | 0 | 0 | 108.4 | T4 S8 | T4-D6 PolarHBondContact O-N 3.2Å; D6-S8 PolarHBondContact O-N 3.17Å | ||
| 7 | L | 67.8 | Low | 68.8 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 89% | 0.885 | 67% | 0.666 | S | S | * | * | trans | -75.8 | 43.4 | -179.8 | -73.2 | 120.9 | 0 | 0 | 0 | 112.5 | I5 | I5-L7 PolarHBondContact O-N 3.47Š| ||
| 8 | S | 67.8 | Low | 69.2 | Low | 56 Ų | 56 | 117.7 Ų | 117.7 | 39% | 0.392 | 66% | 0.66 | S | S | . | * | trans | -75.7 | 134 | 168.9 | 69.4 | 0 | 0 | 0 | 0 | 108.7 | D6 E10 E11 | D6-S8 PolarHBondContact O-N 3.17Å; S8-E10 PolarHBondContact O-N 3.08Å; S8-E11 PolarHBondContact O-N 3.35Å; S8-E11 VanDerWaalsContact O-N 3.14Å | ||
| 9 | G | 71.8 | Confident | 69.1 | Low | 53 Ų | 53 | 120.8 Ų | 120.8 | 55% | 0.546 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -58.5 | -8.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M13 | G9-M13 PolarHBondContact O-N 3.44Å |
| 10 | E | 76.1 | Confident | 69.1 | Low | 131 Ų | 131 | 121.4 Ų | 121.4 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.4 | -37.8 | 177.7 | -50.7 | -176.7 | -160.6 | 0 | 0 | 112.3 | S8 M13 R14 | S8-E10 PolarHBondContact O-N 3.08Å; E10-M13 PolarHBondContact O-N 3.49Å; E10-R14 PolarHBondContact O-N 2.96Å |
| 11 | E | 73.5 | Confident | 68.8 | Low | 118 Ų | 118 | 124.3 Ų | 124.3 | 55% | 0.551 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.1 | -36.9 | -179.3 | -156.6 | 177.7 | -150.3 | 0 | 0 | 111.1 | S8 M13 R14 A15 | S8-E11 PolarHBondContact O-N 3.35Å; S8-E11 VanDerWaalsContact O-N 3.14Å; E11-M13 VanDerWaalsContact C-N 3.32Å; E11-M13 PolarHBondContact O-N 3.39Å; E11-R14 PolarHBondContact O-N 3.1Å; E11-A15 WeakPolarHBondContact O-CB 3.2Å; E11-A15 PolarHBondContact O-N 3.48Å |
| 12 | L | 74 | Confident | 69.1 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | 172.8 | -170.5 | 127.9 | 0 | 0 | 0 | 111.9 | A15 L16 | L12-A15 PolarHBondContact O-N 3.25Å; L12-L16 HydrophobicContact CD2-CD1 3.97Å; L12-L16 HydrophobicContact CG-CD1 4.46Å; L12-L16 PolarHBondContact O-N 2.88Å |
| 13 | M | 79.2 | Confident | 69.4 | Low | 140 Ų | 140 | 120 Ų | 120 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70 | -39.6 | 176.9 | -140.6 | 178.8 | -59.5 | 0 | 0 | 111.8 | G9 E10 E11 L16 E17 | G9-M13 PolarHBondContact O-N 3.44Å; E10-M13 PolarHBondContact O-N 3.49Å; E11-M13 VanDerWaalsContact C-N 3.32Å; E11-M13 PolarHBondContact O-N 3.39Å; M13-L16 PolarHBondContact O-N 2.84Å; M13-E17 PolarHBondContact O-N 3.43Å |
| 14 | R | 78.3 | Confident | 68.7 | Low | 183 Ų | 183 | 121.3 Ų | 121.3 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.6 | -36.6 | 173.4 | -78.5 | -166.9 | -177.6 | 130.8 | 3.3 | 113.2 | E10 E11 L16 E17 | E10-R14 PolarHBondContact O-N 2.96Å; E11-R14 PolarHBondContact O-N 3.1Å; R14-L16 PolarHBondContact O-N 3.03Å; R14-E17 PolarHBondContact O-N 3.27Å |
| 15 | A | 78.9 | Confident | 68.1 | Low | 66 Ų | 66 | 119 Ų | 119 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.2 | -24.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E11 L12 | E11-A15 WeakPolarHBondContact O-CB 3.2Å; E11-A15 PolarHBondContact O-N 3.48Å; L12-A15 PolarHBondContact O-N 3.25Å |
| 16 | L | 78.4 | Confident | 67.4 | Low | 84 Ų | 84 | 121.7 Ų | 121.7 | 44% | 0.44 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -91.8 | -18 | 178.8 | -75 | 163.5 | 0 | 0 | 0 | 113.7 | L12 M13 R14 P18 F19 I20 | L12-L16 HydrophobicContact CD2-CD1 3.97Å; L12-L16 HydrophobicContact CG-CD1 4.46Å; L12-L16 PolarHBondContact O-N 2.88Å; M13-L16 PolarHBondContact O-N 2.84Å; R14-L16 PolarHBondContact O-N 3.03Å; L16-P18 VanDerWaalsContact C-CD 3.42Å; L16-F19 PolarHBondContact O-N 3.21Å; L16-I20 HydrophobicContact CB-CD1 4.08Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å |
| 17 | E | 73.1 | Confident | 66.4 | Low | 90 Ų | 90 | 119.4 Ų | 119.4 | 42% | 0.421 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -52.1 | -40.7 | -179.3 | -156 | -177.7 | 175 | 0 | 0 | 115.1 | M13 R14 F19 I20 R21 | M13-E17 PolarHBondContact O-N 3.43Å; R14-E17 PolarHBondContact O-N 3.27Å; E17-F19 PolarHBondContact O-N 3.08Å; E17-I20 PolarHBondContact O-N 2.76Å; E17-R21 IonicContact OE1-CZ 3.77Å; E17-R21 IonicContact OE1-NH1 3.53Å; E17-R21 PolarHBondContact OE1-NH1 3.41Å; E17-R21 IonicContact OE1-NH2 3.24Å |
| 18 | P | 75 | Confident | 65.6 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.2 | -15.2 | 178.4 | 25.5 | -32.8 | 0 | 0 | 0 | 114.1 | L16 | L16-P18 VanDerWaalsContact C-CD 3.42Å |
| 19 | F | 68.6 | Low | 64.7 | Low | 177 Ų | 177 | 120.4 Ų | 120.4 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -95.3 | -7.1 | 179 | -64 | -79.8 | 0 | 0 | 0 | 113.4 | L16 E17 | L16-F19 PolarHBondContact O-N 3.21Å; E17-F19 PolarHBondContact O-N 3.08Å |
| 20 | I | 68.2 | Low | 63.9 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -99.2 | -11.4 | -172.6 | -66.2 | 168.4 | 0 | 0 | 0 | 112.4 | L16 E17 | L16-I20 HydrophobicContact CB-CD1 4.08Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; E17-I20 PolarHBondContact O-N 2.76Å |
| 21 | R | 63.6 | Low | 62.4 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 69% | 0.694 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -102.4 | -0.4 | -161.4 | -111.4 | 177 | -179.3 | 146 | 6.1 | 119 | E17 | E17-R21 IonicContact OE1-CZ 3.77Å; E17-R21 IonicContact OE1-NH1 3.53Å; E17-R21 PolarHBondContact OE1-NH1 3.41Å; E17-R21 IonicContact OE1-NH2 3.24Å |
| 22 | D | 56.8 | Low | 61 | Low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -104.3 | 20.1 | -165.1 | -72.5 | -17.2 | 0 | 0 | 0 | 117.6 | ||||
| 23 | A | 52.4 | Low | 60.1 | Low | 104 Ų | 104 | 128.6 Ų | 128.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -107.7 | 27.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 24 | S | 45.2 | Very low | 58.5 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | -145.3 | 87.9 | -178 | -167.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 25 | A | 50.3 | Low | 57.2 | Low | 76 Ų | 76 | 126.3 Ų | 126.3 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | trans | -171.4 | 142.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | H | 53.2 | Low | 56 | Low | 190 Ų | 190 | 131.6 Ų | 131.6 | 88% | 0.88 | 74% | 0.738 | S | S | * | * | trans | 93.9 | 86.2 | 167.1 | -47.7 | -60.5 | 0 | 0 | 0 | 117.3 | ||||
| 27 | G | 43.1 | Very low | 54.4 | Low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -90.5 | 152.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 28 | S | 50.4 | Low | 53.4 | Low | 128 Ų | 128 | 137.2 Ų | 137.2 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -170.9 | 116.9 | 154.6 | -74.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | S | 49.3 | Very low | 52.5 | Low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -98.5 | -167.9 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 30 | P | 53.8 | Low | 52.1 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -133.3 | 174.7 | -61.6 | 34.6 | -17.3 | 0 | 0 | 0 | 112.1 | |||||
| 31 | L | 44.7 | Very low | 51.2 | Low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -163.1 | 107.7 | 150.3 | -112.4 | 137.8 | 0 | 0 | 0 | 114.6 | ||||
| 32 | L | 44.2 | Very low | 50.8 | Low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -5.1 | 139.5 | 154.2 | -66.3 | 144.2 | 0 | 0 | 0 | 120.1 | ||||
| 33 | H | 55.3 | Low | 50.8 | Low | 179 Ų | 179 | 129 Ų | 129 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | -166.4 | 136.4 | 127.9 | -81.7 | 103 | 0 | 0 | 0 | 111 | |||||
| 34 | P | 45.8 | Very low | 50.7 | Low | 103 Ų | 103 | 134.1 Ų | 134.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -119.7 | 129.6 | -178.9 | 36.6 | -22.2 | 0 | 0 | 0 | 114.5 | ||||
| 35 | H | 51 | Low | 50.9 | Low | 171 Ų | 171 | 133.2 Ų | 133.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -149.8 | 104.7 | 164.1 | -64.9 | -67.9 | 0 | 0 | 0 | 109.9 | ||||
| 36 | Q | 53.9 | Low | 51.2 | Low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | 80.5 | 114.5 | 98.8 | -73.5 | -96.2 | -18.8 | 0 | 0 | 114.9 | |||||
| 37 | P | 44.4 | Very low | 51.3 | Low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 149.1 | 177.9 | 37.3 | -28.6 | 0 | 0 | 0 | 113.1 | ||||
| 38 | L | 52.2 | Low | 51 | Low | 179 Ų | 179 | 143.7 Ų | 143.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -116.8 | 120.4 | 168.5 | -83.7 | 121.7 | 0 | 0 | 0 | 110.9 | ||||
| 39 | S | 56.4 | Low | 50.8 | Low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -88.4 | -163.1 | 170.6 | -16.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 40 | P | 59.8 | Low | 50.3 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -135.7 | -179.8 | -61.3 | 35.5 | -16.2 | 0 | 0 | 0 | 111.5 | |||||
| 41 | S | 48.5 | Very low | 49.8 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 170.6 | 149.1 | 146.6 | 43.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | S | 56.9 | Low | 49.6 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | cis | -179 | -180 | -18.3 | 74.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 43 | P | 55.4 | Low | 49.6 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -120.6 | 177.6 | -133.5 | 28 | -4.2 | 0 | 0 | 0 | 115 | ||||
| 44 | F | 50.4 | Low | 49.2 | Very low | 212 Ų | 212 | 133.5 Ų | 133.5 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -132.2 | 114 | 164.1 | -113.1 | -85.1 | 0 | 0 | 0 | 111.1 | ||||
| 45 | S | 49.2 | Very low | 49.3 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -91.1 | 147 | 169.3 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 46 | F | 56.7 | Low | 49.2 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -135 | 127.7 | 160.4 | -147.6 | -92 | 0 | 0 | 0 | 110.6 | ||||
| 47 | H | 56.8 | Low | 48.8 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 149.1 | -172.2 | -90.5 | -101.1 | 0 | 0 | 0 | 114 | ||||
| 48 | Q | 36.5 | Very low | 48.9 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -89.5 | 142.5 | 162.5 | -178.8 | 169.8 | 23.3 | 0 | 0 | 110 | ||||
| 49 | A | 44.9 | Very low | 48.8 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -129.5 | 132.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 50 | V | 39.7 | Very low | 48.3 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -111.1 | 140.2 | 176.2 | -83.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 51 | A | 42.1 | Very low | 48 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 177.8 | 153.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 52 | A | 41.7 | Very low | 47.6 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | cis | 178.3 | 168.8 | -18.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 53 | A | 45 | Very low | 47.1 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 78.1 | 137.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 54 | S | 45.4 | Very low | 46.2 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -162 | 141.5 | 2.3 | -90 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 55 | S | 47.5 | Very low | 46 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | 4.6 | 135.9 | 142.3 | 21.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 56 | Y | 50.5 | Low | 45.6 | Very low | 244 Ų | 244 | 134.8 Ų | 134.8 | 96% | 0.957 | 82% | 0.815 | S | S | * | * | trans | 177 | 128 | 130.2 | -96.4 | -77.8 | 0 | 0 | 0 | 105.9 | ||||
| 57 | G | 44.3 | Very low | 45.1 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | 140.4 | 120.1 | 11.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | G | 47.6 | Very low | 44.7 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 107 | 140.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 59 | N | 50.3 | Low | 45.6 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | cis | -168 | 144 | -12.8 | -133.6 | 33.7 | 0 | 0 | 0 | 107.3 | ||||
| 60 | Y | 46.1 | Very low | 46.6 | Very low | 215 Ų | 215 | 127.5 Ų | 127.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -63.7 | -176.8 | -178.1 | -62.8 | -85.3 | 0 | 0 | 0 | 115.3 | ||||
| 61 | P | 52.6 | Low | 48.3 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -146.7 | 163.9 | 13.3 | 40.8 | -18.7 | 0 | 0 | 0 | 120.2 | ||||
| 62 | F | 40.5 | Very low | 50.4 | Low | 197 Ų | 197 | 122.3 Ų | 122.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | 39 | 108.8 | 134.7 | -163.7 | -98.2 | 0 | 0 | 0 | 120.8 | ||||
| 63 | A | 46 | Very low | 52.6 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -159.9 | 128.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 64 | A | 37.3 | Very low | 54.6 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -63.8 | 139.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 65 | A | 45.5 | Very low | 56.7 | Low | 83 Ų | 83 | 121.8 Ų | 121.8 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -169.4 | 105.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | E67 | A65-E67 VanDerWaalsContact C-N 3.25Å; A65-E67 PolarHBondContact O-N 2.79Å | ||
| 66 | D | 41.1 | Very low | 58.7 | Low | 181 Ų | 181 | 121.5 Ų | 121.5 | 97% | 0.968 | 72% | 0.719 | S | S | * | * | trans | -48.8 | 96.6 | 147.6 | -97.1 | -53.6 | 0 | 0 | 0 | 107.9 | ||||
| 67 | E | 45.8 | Very low | 60.6 | Low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -143.4 | 116.8 | 162.5 | -152.3 | 173.4 | 156.7 | 0 | 0 | 107.6 | A65 | A65-E67 VanDerWaalsContact C-N 3.25Å; A65-E67 PolarHBondContact O-N 2.79Å | ||
| 68 | A | 47.8 | Very low | 62.9 | Low | 73 Ų | 73 | 119.4 Ų | 119.4 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | trans | -38.8 | 140.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q70 | A68-Q70 HydrophobicContact CB-CG 4.2Å; A68-Q70 PolarHBondContact O-N 3.38Å | ||
| 69 | G | 57.1 | Low | 64.9 | Low | 85 Ų | 85 | 119.1 Ų | 119.1 | 88% | 0.876 | 67% | 0.672 | S | S | * | * | trans | -63.2 | 37.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L71 | G69-L71 PolarHBondContact O-N 3.12Š| ||
| 70 | Q | 64.6 | Low | 67 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 80% | 0.799 | 66% | 0.655 | S | S | * | * | trans | -79.4 | 91.1 | 168.4 | -68.5 | -168.5 | 1.3 | 0 | 0 | 108.2 | A68 S72 | A68-Q70 HydrophobicContact CB-CG 4.2Å; A68-Q70 PolarHBondContact O-N 3.38Å; Q70-S72 PolarHBondContact O-N 2.74Å | ||
| 71 | L | 75.8 | Confident | 69.1 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 41% | 0.414 | 64% | 0.638 | S | S | . | * | trans | -39.9 | 123.4 | 159.2 | -79.2 | 142.1 | 0 | 0 | 0 | 109.7 | G69 Q75 I79 | G69-L71 PolarHBondContact O-N 3.12Å; L71-Q75 HydrophobicContact CD2-CB 4.1Å; L71-Q75 HydrophobicContact CD2-CG 3.53Å; L71-Q75 VanDerWaalsContact CD2-NE2 3.29Å; L71-I79 HydrophobicContact CD2-CD1 3.76Å | ||
| 72 | S | 86 | Confident | 70.9 | Confident | 47 Ų | 47 | 111.8 Ų | 111.8 | 33% | 0.329 | 63% | 0.633 | S | S | . | * | trans | -57.3 | 151.7 | 178.1 | 81.5 | 0 | 0 | 0 | 0 | 110.4 | Q70 S74 Q75 M76 | Q70-S72 PolarHBondContact O-N 2.74Å; S72-S74 PolarHBondContact O-N 3.12Å; S72-S74 VanDerWaalsContact O-N 3.1Å; S72-S74 PolarHBondContact OG-OG 3.21Å; S72-Q75 WeakPolarHBondContact O-CA 3.39Å; S72-Q75 WeakPolarHBondContact O-CB 3.45Å; S72-Q75 PolarHBondContact O-N 3.41Å; S72-Q75 PolarHBondContact OG-N 3.29Å; S72-Q75 VanDerWaalsContact OG-N 3.15Å; S72-M76 PolarHBondContact O-N 3.16Å | ||
| 73 | P | 87.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -53.3 | -33.3 | 176.8 | -27.9 | 34.8 | 0 | 0 | 0 | 113.4 | M76 Q77 | P73-M76 PolarHBondContact O-N 3.37Å; P73-Q77 VanDerWaalsContact O-CG 3.31Å; P73-Q77 WeakPolarHBondContact O-CG 3.32Å; P73-Q77 PolarHBondContact O-N 2.88Å |
| 74 | S | 88.6 | Confident | 75.3 | Confident | 79 Ų | 79 | 109.1 Ų | 109.1 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -36.9 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | S72 Q77 Y78 | S72-S74 PolarHBondContact O-N 3.12Å; S72-S74 VanDerWaalsContact O-N 3.1Å; S72-S74 PolarHBondContact OG-OG 3.21Å; S74-Q77 PolarHBondContact O-N 3.18Å; S74-Y78 PolarHBondContact O-N 3.04Å |
| 75 | Q | 88.4 | Confident | 77.7 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69 | -36.8 | 175 | -162.1 | 172.5 | -8.8 | 0 | 0 | 111.5 | L71 S72 Y78 I79 | L71-Q75 HydrophobicContact CD2-CB 4.1Å; L71-Q75 HydrophobicContact CD2-CG 3.53Å; L71-Q75 VanDerWaalsContact CD2-NE2 3.29Å; S72-Q75 WeakPolarHBondContact O-CA 3.39Å; S72-Q75 WeakPolarHBondContact O-CB 3.45Å; S72-Q75 PolarHBondContact O-N 3.41Å; S72-Q75 PolarHBondContact OG-N 3.29Å; S72-Q75 VanDerWaalsContact OG-N 3.15Å; Q75-Y78 PolarHBondContact O-N 2.99Å; Q75-I79 VanDerWaalsContact O-CG1 3.31Å; Q75-I79 WeakPolarHBondContact O-CG1 3.42Å; Q75-I79 PolarHBondContact O-N 3.06Å |
| 76 | M | 89.1 | Confident | 79.4 | Confident | 96 Ų | 96 | 111.6 Ų | 111.6 | 47% | 0.473 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -43 | 174.4 | -157.9 | 177.9 | -62.7 | 0 | 0 | 111.7 | S72 P73 Y78 I79 Q80 | S72-M76 PolarHBondContact O-N 3.16Å; P73-M76 PolarHBondContact O-N 3.37Å; M76-Y78 PolarHBondContact O-N 3.25Å; M76-I79 PolarHBondContact O-N 2.8Å; M76-Q80 WeakPolarHBondContact O-CB 3.36Å; M76-Q80 VanDerWaalsContact O-CG 3.29Å; M76-Q80 WeakPolarHBondContact O-CG 3.15Å; M76-Q80 PolarHBondContact O-N 3.19Å |
| 77 | Q | 90.5 | Very high | 81.3 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.6 | -41.4 | 173.6 | -75.3 | 176.1 | -4.9 | 0 | 0 | 112.2 | P73 S74 Q80 A81 | P73-Q77 VanDerWaalsContact O-CG 3.31Å; P73-Q77 WeakPolarHBondContact O-CG 3.32Å; P73-Q77 PolarHBondContact O-N 2.88Å; S74-Q77 PolarHBondContact O-N 3.18Å; Q77-Q80 PolarHBondContact O-N 3.17Å; Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 3.07Å |
| 78 | Y | 92.2 | Very high | 82.7 | Confident | 148 Ų | 148 | 111.4 Ų | 111.4 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -45.4 | 175.8 | 176.3 | -98.1 | 0 | 0 | 0 | 112.1 | S74 Q75 M76 A81 R82 | S74-Y78 PolarHBondContact O-N 3.04Å; Q75-Y78 PolarHBondContact O-N 2.99Å; M76-Y78 PolarHBondContact O-N 3.25Å; Y78-A81 PolarHBondContact O-N 3.05Å; Y78-R82 WeakPolarHBondContact O-CB 3.17Å; Y78-R82 PolarHBondContact O-N 2.86Å |
| 79 | I | 91.5 | Very high | 83.7 | Confident | 70 Ų | 70 | 114.1 Ų | 114.1 | 36% | 0.359 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | 177 | -66.5 | 165.8 | 0 | 0 | 0 | 110.7 | L71 Q75 M76 A81 R82 L83 | L71-I79 HydrophobicContact CD2-CD1 3.76Å; Q75-I79 VanDerWaalsContact O-CG1 3.31Å; Q75-I79 WeakPolarHBondContact O-CG1 3.42Å; Q75-I79 PolarHBondContact O-N 3.06Å; M76-I79 PolarHBondContact O-N 2.8Å; I79-A81 PolarHBondContact O-N 2.91Å; I79-R82 PolarHBondContact O-N 3.34Å; I79-L83 HydrophobicContact CG2-CD1 4.06Å; I79-L83 WeakPolarHBondContact O-CG 3.43Å; I79-L83 PolarHBondContact O-N 2.85Å |
| 80 | Q | 92.6 | Very high | 84 | Confident | 105 Ų | 105 | 113.3 Ų | 113.3 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.6 | -40.6 | 176.7 | -74.4 | 177.1 | -8.3 | 0 | 0 | 112.2 | M76 Q77 H84 | M76-Q80 WeakPolarHBondContact O-CB 3.36Å; M76-Q80 VanDerWaalsContact O-CG 3.29Å; M76-Q80 WeakPolarHBondContact O-CG 3.15Å; M76-Q80 PolarHBondContact O-N 3.19Å; Q77-Q80 PolarHBondContact O-N 3.17Å; Q80-H84 WeakPolarHBondContact O-CB 3.48Å; Q80-H84 PolarHBondContact O-N 2.95Å; Q80-H84 PolarHBondContact O-ND1 3.27Å |
| 81 | A | 90.9 | Very high | 83.8 | Confident | 59 Ų | 59 | 110.7 Ų | 110.7 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q77 Y78 I79 H84 L85 | Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 3.07Å; Y78-A81 PolarHBondContact O-N 3.05Å; I79-A81 PolarHBondContact O-N 2.91Å; A81-H84 PolarHBondContact O-N 2.7Å; A81-L85 PolarHBondContact O-N 3.41Å |
| 82 | R | 90.5 | Very high | 82.9 | Confident | 172 Ų | 172 | 112.4 Ų | 112.4 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 178.3 | -166.6 | 178.5 | 174.7 | -168.7 | -1.5 | 112.2 | Y78 I79 L85 Q86 | Y78-R82 WeakPolarHBondContact O-CB 3.17Å; Y78-R82 PolarHBondContact O-N 2.86Å; I79-R82 PolarHBondContact O-N 3.34Å; R82-L85 PolarHBondContact O-N 3.08Å; R82-Q86 PolarHBondContact O-N 2.95Å; R82-Q86 VanDerWaalsContact O-N 3.14Å |
| 83 | L | 90.1 | Very high | 81.4 | Confident | 102 Ų | 102 | 114 Ų | 114 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -40.5 | 175.6 | -75.4 | 172.2 | 0 | 0 | 0 | 112.3 | I79 L85 Q86 R87 | I79-L83 HydrophobicContact CG2-CD1 4.06Å; I79-L83 WeakPolarHBondContact O-CG 3.43Å; I79-L83 PolarHBondContact O-N 2.85Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.3Å; L83-Q86 PolarHBondContact O-N 3.16Å; L83-R87 PolarHBondContact O-N 3.36Å |
| 84 | H | 88.1 | Confident | 80 | Confident | 136 Ų | 136 | 114.3 Ų | 114.3 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -41.7 | 174.8 | -86.6 | 103.3 | 0 | 0 | 0 | 112.2 | Q80 A81 R87 R88 | Q80-H84 WeakPolarHBondContact O-CB 3.48Å; Q80-H84 PolarHBondContact O-N 2.95Å; Q80-H84 PolarHBondContact O-ND1 3.27Å; A81-H84 PolarHBondContact O-N 2.7Å; H84-R87 PolarHBondContact O-N 2.92Å; H84-R88 WeakPolarHBondContact O-CB 3.17Å; H84-R88 PolarHBondContact O-N 3.38Å |
| 85 | L | 87.2 | Confident | 78.4 | Confident | 104 Ų | 104 | 119.4 Ų | 119.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 177.9 | -172.8 | 62.2 | 0 | 0 | 0 | 111.9 | A81 R82 L83 R88 Q89 | A81-L85 PolarHBondContact O-N 3.41Å; R82-L85 PolarHBondContact O-N 3.08Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.3Å; L85-R88 PolarHBondContact O-N 3.49Å; L85-Q89 WeakPolarHBondContact O-CG 3.48Å; L85-Q89 PolarHBondContact O-N 2.89Å |
| 86 | Q | 82.6 | Confident | 77.1 | Confident | 129 Ų | 129 | 116.9 Ų | 116.9 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 177.4 | -167.8 | 175.7 | 14.1 | 0 | 0 | 112.1 | R82 L83 Q89 A90 | R82-Q86 PolarHBondContact O-N 2.95Å; R82-Q86 VanDerWaalsContact O-N 3.14Å; L83-Q86 PolarHBondContact O-N 3.16Å; Q86-Q89 PolarHBondContact O-N 3.39Å; Q86-A90 PolarHBondContact O-N 3.05Å; Q86-A90 VanDerWaalsContact O-N 3.13Å |
| 87 | R | 81.4 | Confident | 75.7 | Confident | 168 Ų | 168 | 118.7 Ų | 118.7 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -36.7 | 175.7 | -170.5 | 174.4 | 179.4 | 162.4 | 0.8 | 112 | L83 H84 A90 Q91 | L83-R87 PolarHBondContact O-N 3.36Å; H84-R87 PolarHBondContact O-N 2.92Å; R87-A90 PolarHBondContact O-N 3.33Å; R87-Q91 WeakPolarHBondContact O-CB 3.4Å; R87-Q91 WeakPolarHBondContact O-CG 3.48Å; R87-Q91 PolarHBondContact O-N 3.34Å |
| 88 | R | 73.9 | Confident | 74 | Confident | 184 Ų | 184 | 123.5 Ų | 123.5 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.7 | -39.2 | 177.2 | -159.9 | 177.1 | 172 | -169.1 | -3.4 | 111.7 | H84 L85 A90 Q91 T92 | H84-R88 WeakPolarHBondContact O-CB 3.17Å; H84-R88 PolarHBondContact O-N 3.38Å; L85-R88 PolarHBondContact O-N 3.49Å; R88-A90 VanDerWaalsContact C-N 3.31Å; R88-A90 PolarHBondContact O-N 2.96Å; R88-Q91 PolarHBondContact O-N 3.09Å; R88-T92 WeakPolarHBondContact O-CG2 3.28Å; R88-T92 PolarHBondContact O-N 3.48Å; R88-T92 PolarHBondContact O-OG1 3.47Å |
| 89 | Q | 69.3 | Low | 72.5 | Confident | 130 Ų | 130 | 121.1 Ų | 121.1 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -32.4 | 172.4 | -69.8 | 176.6 | 0.1 | 0 | 0 | 112.8 | L85 Q86 | L85-Q89 WeakPolarHBondContact O-CG 3.48Å; L85-Q89 PolarHBondContact O-N 2.89Å; Q86-Q89 PolarHBondContact O-N 3.39Å |
| 90 | A | 63.1 | Low | 71.2 | Confident | 68 Ų | 68 | 125.6 Ų | 125.6 | 56% | 0.562 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.5 | -19.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q86 R87 R88 | Q86-A90 PolarHBondContact O-N 3.05Å; Q86-A90 VanDerWaalsContact O-N 3.13Å; R87-A90 PolarHBondContact O-N 3.33Å; R88-A90 VanDerWaalsContact C-N 3.31Å; R88-A90 PolarHBondContact O-N 2.96Å |
| 91 | Q | 61.3 | Low | 70 | Confident | 117 Ų | 117 | 126.5 Ų | 126.5 | 55% | 0.547 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -100.8 | -11.1 | -178.1 | -72.4 | -176 | -4.7 | 0 | 0 | 114.4 | R87 R88 S93 V94 | R87-Q91 WeakPolarHBondContact O-CB 3.4Å; R87-Q91 WeakPolarHBondContact O-CG 3.48Å; R87-Q91 PolarHBondContact O-N 3.34Å; R88-Q91 PolarHBondContact O-N 3.09Å; Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.45Å; Q91-V94 WeakPolarHBondContact O-CG2 3.25Å |
| 92 | T | 55.8 | Low | 68.6 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 4.7 | 174 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | R88 | R88-T92 WeakPolarHBondContact O-CG2 3.28Å; R88-T92 PolarHBondContact O-N 3.48Å; R88-T92 PolarHBondContact O-OG1 3.47Å |
| 93 | S | 55.1 | Low | 67.1 | Low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 13.7 | -179.2 | 33.4 | 0 | 0 | 0 | 0 | 114.3 | Q91 | Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.45Å |
| 94 | V | 58.6 | Low | 65.6 | Low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.5 | -171.2 | -144.3 | 0 | 0 | 0 | 0 | 114.6 | Q91 | Q91-V94 WeakPolarHBondContact O-CG2 3.25Š|
| 95 | L | 55.1 | Low | 64 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 97% | 0.974 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 17.7 | 176.8 | -66.4 | 176.3 | 0 | 0 | 0 | 114.9 | ||
| 96 | G | 61.1 | Low | 62.3 | Low | 48 Ų | 48 | 131.6 Ų | 131.6 | 50% | 0.495 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -111.3 | 148 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R98 | G96-R98 PolarHBondContact O-N 3.29Š|
| 97 | P | 58.4 | Low | 60.5 | Low | 134 Ų | 134 | 130.6 Ų | 130.6 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | trans | -60.8 | 112 | 173.6 | 27.8 | -31.1 | 0 | 0 | 0 | 106.9 | A99 | P97-A99 PolarHBondContact O-N 3.18Š| ||
| 98 | R | 55.2 | Low | 58.8 | Low | 231 Ų | 231 | 127.6 Ų | 127.6 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -58.2 | 109.4 | 172 | -123.3 | -179.4 | 163.8 | -178.5 | -4.6 | 106.3 | G96 Q100 | G96-R98 PolarHBondContact O-N 3.29Å; R98-Q100 PolarHBondContact O-N 2.74Å | ||
| 99 | A | 61.4 | Low | 58 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -61.3 | 93.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | P97 | P97-A99 PolarHBondContact O-N 3.18Š| ||
| 100 | Q | 64.2 | Low | 57.2 | Low | 164 Ų | 164 | 123.2 Ų | 123.2 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -62.5 | 132.6 | 167.6 | -67.5 | -150.8 | -8.2 | 0 | 0 | 106.4 | R98 M102 | R98-Q100 PolarHBondContact O-N 2.74Å; Q100-M102 VanDerWaalsContact C-N 3.27Å; Q100-M102 PolarHBondContact O-N 3.3Å | ||
| 101 | P | 66.7 | Low | 56.7 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -60.9 | 99.9 | 170.8 | 25.8 | -31.7 | 0 | 0 | 0 | 107 | K103 | P101-K103 PolarHBondContact O-N 3.41Š| ||
| 102 | M | 61.3 | Low | 56.3 | Low | 178 Ų | 178 | 123.6 Ų | 123.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -61 | 110.2 | 170.8 | 10.5 | 175.1 | 66.7 | 0 | 0 | 105.3 | Q100 A104 | Q100-M102 VanDerWaalsContact C-N 3.27Å; Q100-M102 PolarHBondContact O-N 3.3Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 3.02Å | ||
| 103 | K | 59.8 | Low | 56.1 | Low | 206 Ų | 206 | 121.9 Ų | 121.9 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -60.5 | 101.3 | 175.1 | -170.7 | 159.7 | -173.9 | 177.8 | 0 | 106.8 | P101 S105 | P101-K103 PolarHBondContact O-N 3.41Å; K103-S105 PolarHBondContact O-N 3.47Å | ||
| 104 | A | 57.2 | Low | 56.1 | Low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -53.4 | 116 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | M102 A106 | M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 3.02Å; A104-A106 PolarHBondContact O-N 2.89Å | ||
| 105 | S | 54.2 | Low | 55.8 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -67.6 | 74.7 | 166.1 | 169.4 | 0 | 0 | 0 | 0 | 107.2 | K103 S107 | K103-S105 PolarHBondContact O-N 3.47Å; S105-S107 PolarHBondContact O-N 3.1Å | ||
| 106 | A | 52.6 | Low | 56 | Low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 100.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | A104 | A104-A106 PolarHBondContact O-N 2.89Š| ||
| 107 | S | 44.6 | Very low | 56.3 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -54.6 | 150.3 | 156.4 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | S105 | S105-S107 PolarHBondContact O-N 3.1Š| ||
| 108 | A | 46.8 | Very low | 57.6 | Low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 94.4 | 61.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 109 | A | 56.1 | Low | 59.4 | Low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -158.9 | 150.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | A111 | A109-A111 PolarHBondContact O-N 2.95Š|
| 110 | P | 52 | Low | 61 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 92% | 0.922 | 73% | 0.725 | S | S | * | * | trans | -69.6 | 74.5 | 166.6 | 30.8 | -31.2 | 0 | 0 | 0 | 107.8 | ||||
| 111 | A | 52.3 | Low | 62.4 | Low | 72 Ų | 72 | 118.7 Ų | 118.7 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | trans | -61.2 | 139.4 | 174 | 0 | 0 | 0 | 0 | 0 | 107.8 | A109 A113 | A109-A111 PolarHBondContact O-N 2.95Å; A111-A113 PolarHBondContact O-N 3.18Å; A111-A113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | P | 53.6 | Low | 63.8 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -50.3 | 127.9 | 173.4 | 23.7 | -33.5 | 0 | 0 | 0 | 107.4 | R114 | P112-R114 PolarHBondContact O-N 3.25Å; P112-R114 VanDerWaalsContact O-N 3.11Å |
| 113 | A | 52.8 | Low | 65.4 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -31.3 | 118.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A111 | A111-A113 PolarHBondContact O-N 3.18Å; A111-A113 VanDerWaalsContact O-N 3.12Å |
| 114 | R | 54.1 | Low | 67.1 | Low | 228 Ų | 228 | 104.6 Ų | 104.6 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -28.6 | 125.8 | 179.5 | -49.9 | 174.2 | -155.4 | -128.9 | 2 | 107.9 | P112 Q116 | P112-R114 PolarHBondContact O-N 3.25Å; P112-R114 VanDerWaalsContact O-N 3.11Å; R114-Q116 VanDerWaalsContact O-CA 3.31Å; R114-Q116 WeakPolarHBondContact O-CA 3.41Å; R114-Q116 PolarHBondContact O-N 2.87Å |
| 115 | P | 52.1 | Low | 68.9 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 80% | 0.799 | 62% | 0.615 | S | S | * | * | trans | -44.3 | 106.9 | -169.6 | 19.2 | -32.6 | 0 | 0 | 0 | 107.4 | K117 | P115-K117 PolarHBondContact O-N 2.86Š| ||
| 116 | Q | 59.6 | Low | 70.8 | Confident | 148 Ų | 148 | 110.3 Ų | 110.3 | 69% | 0.692 | 62% | 0.616 | S | S | * | * | trans | -52.9 | 119.5 | -166.2 | -72.3 | -178.6 | -32.6 | 0 | 0 | 104.9 | R114 L118 | R114-Q116 VanDerWaalsContact O-CA 3.31Å; R114-Q116 WeakPolarHBondContact O-CA 3.41Å; R114-Q116 PolarHBondContact O-N 2.87Å; Q116-L118 PolarHBondContact O-N 2.86Å | ||
| 117 | K | 66.5 | Low | 72.6 | Confident | 200 Ų | 200 | 115.2 Ų | 115.2 | 87% | 0.87 | 62% | 0.615 | S | S | * | * | trans | -52.4 | 108.6 | -175.7 | -69.2 | 178.4 | 177.9 | -174.9 | 0 | 105.9 | P115 Y119 | P115-K117 PolarHBondContact O-N 2.86Å; K117-Y119 PolarHBondContact O-N 3.22Å | ||
| 118 | L | 87 | Confident | 75 | Confident | 110 Ų | 110 | 111.8 Ų | 111.8 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.8 | -176.8 | -84.5 | 78.7 | 0 | 0 | 0 | 107.4 | Q116 | Q116-L118 PolarHBondContact O-N 2.86Š|
| 119 | Y | 93.5 | Very high | 77.3 | Confident | 69 Ų | 69 | 110.6 Ų | 110.6 | 27% | 0.271 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 143.5 | 176.1 | -62.4 | -72.9 | 0 | 0 | 0 | 110.2 | K117 G121 V122 A151 E152 A155 N173 F174 | K117-Y119 PolarHBondContact O-N 3.22Å; Y119-G121 PolarHBondContact O-N 3.13Å; Y119-V122 WeakPolarHBondContact O-CB 3.29Å; Y119-V122 PolarHBondContact O-N 2.93Å; Y119-V122 VanDerWaalsContact O-N 3.07Å; Y119-A151 HydrophobicContact CD2-CB 3.87Å; Y119-A151 WeakPolarHBondContact CD2-O 3.36Å; Y119-A151 HydrophobicContact CE2-CB 3.82Å; Y119-E152 HydrophobicContact CE2-CG 4.32Å; Y119-A155 HydrophobicContact CD1-CB 3.86Å; Y119-A155 HydrophobicContact CD2-CB 3.78Å; Y119-A155 HydrophobicContact CG-CB 3.41Å; Y119-A155 VanDerWaalsContact CG-CB 3.41Å; Y119-N173 HydrophobicContact CD1-CB 4.1Å; Y119-F174 HydrophobicContact CD1-CE1 4.46Å; Y119-F174 HydrophobicContact CD1-CZ 4Å; Y119-F174 AromaticContact CE1-CE1 3.66Å; Y119-F174 HydrophobicContact CE1-CE1 3.66Å; Y119-F174 HydrophobicContact CE1-CE2 4.42Å; Y119-F174 AromaticContact CE1-CZ 3.47Å; Y119-F174 HydrophobicContact CE1-CZ 3.47Å; Y119-F174 VanDerWaalsContact CE1-CZ 3.47Å; Y119-F174 AromaticContact CZ-CZ 3.8Å |
| 120 | R | 93.6 | Very high | 79.2 | Confident | 77 Ų | 77 | 109 Ų | 109 | 29% | 0.291 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 132 | -179.5 | -176 | -178 | 64.3 | -99 | -31.2 | 109.3 | V122 Y158 D159 R171 L172 N173 | R120-V122 PolarHBondContact O-N 2.92Å; R120-Y158 HydrophobicContact CB-CE1 4.5Å; R120-Y158 HydrophobicContact CG-CE1 4.13Å; R120-Y158 PolarHBondContact NE-OH 2.8Å; R120-Y158 VanDerWaalsContact NH2-CE1 3.31Å; R120-Y158 WeakPolarHBondContact O-CD1 3.37Å; R120-Y158 VanDerWaalsContact O-CG 3.3Å; R120-D159 IonicContact NH2-OD1 3.64Å; R120-D159 PolarHBondContact NH2-OD1 3.15Å; R120-R171 VanDerWaalsContact CZ-C 3.49Å; R120-R171 PolarHBondContact NH1-O 3.49Å; R120-R171 PolarHBondContact NH2-O 2.95Å; R120-L172 PolarHBondContact NH1-O 2.97Å; R120-L172 PolarHBondContact NH2-O 3.36Å; R120-N173 WeakPolarHBondContact CB-OD1 3.49Å; R120-N173 PolarHBondContact N-OD1 2.77Å; R120-N173 PolarHBondContact O-ND2 2.99Å; R120-N173 VanDerWaalsContact O-ND2 3.08Å |
| 121 | G | 94.1 | Very high | 81.3 | Confident | 27 Ų | 27 | 102.6 Ų | 102.6 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y119 A132 E133 | Y119-G121 PolarHBondContact O-N 3.13Å; G121-A132 WeakPolarHBondContact O-CA 3.49Å; G121-E133 PolarHBondContact O-N 2.88Å; G121-E133 VanDerWaalsContact O-N 3.1Å |
| 122 | V | 95.5 | Very high | 83.4 | Confident | 10 Ų | 10 | 99.1 Ų | 99.1 | 6% | 0.061 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.5 | 177 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | Y119 R120 W130 V131 A154 A155 | Y119-V122 WeakPolarHBondContact O-CB 3.29Å; Y119-V122 PolarHBondContact O-N 2.93Å; Y119-V122 VanDerWaalsContact O-N 3.07Å; R120-V122 PolarHBondContact O-N 2.92Å; V122-W130 HydrophobicContact CG1-CB 4.33Å; V122-W130 HydrophobicContact CG1-CD2 4.35Å; V122-W130 HydrophobicContact CG1-CE3 3.5Å; V122-W130 HydrophobicContact CG1-CZ3 4.16Å; V122-V131 WeakPolarHBondContact CA-O 3.33Å; V122-A154 HydrophobicContact CB-CB 4.37Å; V122-A154 HydrophobicContact CG1-CB 3.73Å; V122-A154 HydrophobicContact CG2-CB 3.73Å; V122-A155 HydrophobicContact CG2-CB 3.95Å |
| 123 | R | 95.2 | Very high | 85.4 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.6 | 173.5 | 62.6 | 178.6 | 178.1 | 76.3 | -0.6 | 110.4 | V131 E133 | R123-V131 HydrophobicContact CG-CB 3.99Å; R123-V131 PolarHBondContact N-O 3.26Å; R123-V131 PolarHBondContact O-N 2.83Å; R123-E133 IonicContact CZ-OE2 3.36Å; R123-E133 IonicContact NE-OE2 2.73Å; R123-E133 PolarHBondContact NE-OE2 3.17Å; R123-E133 IonicContact NH2-OE2 2.99Å; R123-E133 PolarHBondContact NH2-OE2 3.08Å |
| 124 | Q | 95.6 | Very high | 87.4 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 51% | 0.514 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 134.9 | 171.5 | -160.6 | 175.8 | 26.4 | 0 | 0 | 109.8 | G128 W130 | Q124-G128 PolarHBondContact NE2-O 3.09Å; Q124-W130 HydrophobicContact CB-CD2 4.48Å; Q124-W130 HydrophobicContact CB-CE3 3.99Å; Q124-W130 HydrophobicContact CB-CH2 4.34Å; Q124-W130 HydrophobicContact CB-CZ3 3.94Å; Q124-W130 HydrophobicContact CG-CD2 4.4Å; Q124-W130 HydrophobicContact CG-CE3 4.39Å; Q124-W130 HydrophobicContact CG-CZ2 4.49Å; Q124-W130 HydrophobicContact CG-CZ3 4.5Å |
| 125 | R | 94.4 | Very high | 89.3 | Confident | 143 Ų | 143 | 88.2 Ų | 88.2 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | trans | -91.7 | 159.9 | 170.6 | -172.3 | 169.5 | -116.2 | 174.1 | -4.5 | 109.5 | W127 G128 K129 | R125-W127 PolarHBondContact O-N 3.4Å; R125-G128 PolarHBondContact O-N 3.04Å; R125-K129 PolarHBondContact N-O 2.94Å; R125-K129 VanDerWaalsContact N-O 3.17Å | ||
| 126 | H | 95 | Very high | 91 | Very high | 184 Ų | 184 | 83.3 Ų | 83.3 | 85% | 0.852 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.7 | 174.3 | 64.1 | 87.9 | 0 | 0 | 0 | 113.7 | G128 | H126-G128 PolarHBondContact O-N 3.34Š|
| 127 | W | 90.9 | Very high | 92.2 | Very high | 194 Ų | 194 | 80.8 Ų | 80.8 | 74% | 0.735 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.9 | 171.6 | 177.6 | -110.1 | 0 | 0 | 0 | 114 | R125 K129 | R125-W127 PolarHBondContact O-N 3.4Å; W127-K129 HydrophobicContact CG-CG 4.49Å |
| 128 | G | 93.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 78.1 Ų | 78.1 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 94 | -20.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q124 R125 H126 | Q124-G128 PolarHBondContact NE2-O 3.09Å; R125-G128 PolarHBondContact O-N 3.04Å; H126-G128 PolarHBondContact O-N 3.34Å |
| 129 | K | 95.4 | Very high | 92.4 | Very high | 81 Ų | 81 | 76.1 Ų | 76.1 | 35% | 0.352 | 34% | 0.344 | S | S | . | . | trans | -67.5 | 146.5 | 176.3 | -62.9 | -76.1 | 177.9 | 172.1 | 0 | 112.1 | R125 W127 D149 | R125-K129 PolarHBondContact N-O 2.94Å; R125-K129 VanDerWaalsContact N-O 3.17Å; W127-K129 HydrophobicContact CG-CG 4.49Å; K129-D149 VanDerWaalsContact CD-OD1 3.32Å; K129-D149 WeakPolarHBondContact CD-OD1 3.47Å; K129-D149 WeakPolarHBondContact CE-OD1 3.39Å; K129-D149 IonicContact NZ-OD1 2.56Å; K129-D149 PolarHBondContact NZ-OD1 3.26Å | ||
| 130 | W | 96.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 84.9 Ų | 84.9 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 138.6 | 174.9 | -61.2 | 91.6 | 0 | 0 | 0 | 109.9 | V122 Q124 T147 F148 D149 T150 A151 A154 | V122-W130 HydrophobicContact CG1-CB 4.33Å; V122-W130 HydrophobicContact CG1-CD2 4.35Å; V122-W130 HydrophobicContact CG1-CE3 3.5Å; V122-W130 HydrophobicContact CG1-CZ3 4.16Å; Q124-W130 HydrophobicContact CB-CD2 4.48Å; Q124-W130 HydrophobicContact CB-CE3 3.99Å; Q124-W130 HydrophobicContact CB-CH2 4.34Å; Q124-W130 HydrophobicContact CB-CZ3 3.94Å; Q124-W130 HydrophobicContact CG-CD2 4.4Å; Q124-W130 HydrophobicContact CG-CE3 4.39Å; Q124-W130 HydrophobicContact CG-CZ2 4.49Å; Q124-W130 HydrophobicContact CG-CZ3 4.5Å; W130-T147 CarbonylContact O-C 3.49Å; W130-T147 VanDerWaalsContact O-CA 3.27Å; W130-T147 WeakPolarHBondContact O-CA 3.4Å; W130-F148 PolarHBondContact N-O 3.37Å; W130-F148 PolarHBondContact O-N 3.01Å; W130-D149 VanDerWaalsContact CD1-O 3.22Å; W130-T150 VanDerWaalsContact CD1-C 3.49Å; W130-A151 HydrophobicContact CD2-CB 3.79Å; W130-A151 HydrophobicContact CE3-CB 3.94Å; W130-A151 HydrophobicContact CG-CB 4.44Å; W130-A151 HydrophobicContact CH2-CB 3.84Å; W130-A151 HydrophobicContact CZ2-CB 3.73Å; W130-A151 HydrophobicContact CZ3-CB 3.95Å; W130-A154 HydrophobicContact CB-CB 4.02Å |
| 131 | V | 95.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 85.4 Ų | 85.4 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.8 | 179.9 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | V122 R123 T147 | V122-V131 WeakPolarHBondContact CA-O 3.33Å; R123-V131 HydrophobicContact CG-CB 3.99Å; R123-V131 PolarHBondContact N-O 3.26Å; R123-V131 PolarHBondContact O-N 2.83Å; V131-T147 HydrophobicContact CG2-CG2 4.05Å |
| 132 | A | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G121 L145 G146 F148 A154 | G121-A132 WeakPolarHBondContact O-CA 3.49Å; A132-L145 HydrophobicContact CB-CB 4.16Å; A132-L145 HydrophobicContact CB-CD1 4.2Å; A132-L145 WeakPolarHBondContact O-CB 3.42Å; A132-L145 PolarHBondContact O-N 3.48Å; A132-G146 PolarHBondContact N-O 3.15Å; A132-G146 VanDerWaalsContact N-O 3.12Å; A132-G146 PolarHBondContact O-N 2.98Å; A132-F148 HydrophobicContact CB-CD2 4.2Å; A132-F148 HydrophobicContact CB-CE2 3.75Å; A132-A154 HydrophobicContact CB-CB 4.26Å; A132-A154 VanDerWaalsContact CB-O 3.32Å; A132-A154 WeakPolarHBondContact CB-O 3.48Å |
| 133 | E | 95.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 90 Ų | 90 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.2 | 175.8 | 59.4 | -177.4 | -123.9 | 0 | 0 | 110.7 | G121 R123 R142 L143 Y158 | G121-E133 PolarHBondContact O-N 2.88Å; G121-E133 VanDerWaalsContact O-N 3.1Å; R123-E133 IonicContact CZ-OE2 3.36Å; R123-E133 IonicContact NE-OE2 2.73Å; R123-E133 PolarHBondContact NE-OE2 3.17Å; R123-E133 IonicContact NH2-OE2 2.99Å; R123-E133 PolarHBondContact NH2-OE2 3.08Å; E133-R142 WeakPolarHBondContact OE1-CD 3.18Å; E133-R142 IonicContact OE1-CZ 3.72Å; E133-R142 IonicContact OE1-NE 3.99Å; E133-R142 IonicContact OE1-NH1 3.74Å; E133-R142 PolarHBondContact OE1-NH1 3.44Å; E133-L143 CarbonylContact C-O 3.59Å; E133-L143 VanDerWaalsContact CA-O 3.25Å; E133-L143 WeakPolarHBondContact CA-O 3.35Å; E133-Y158 WeakPolarHBondContact O-CD2 3.2Å; E133-Y158 WeakPolarHBondContact O-CE2 3.43Å |
| 134 | I | 94.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 93.3 Ų | 93.3 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 178.4 | -166.7 | 155 | 0 | 0 | 0 | 111.5 | R142 L143 L145 Y158 A161 A162 L165 L192 | I134-R142 WeakPolarHBondContact O-CA 3.36Å; I134-L143 HydrophobicContact CG2-CB 3.8Å; I134-L143 HydrophobicContact CG2-CD2 4.2Å; I134-L143 HydrophobicContact CG2-CG 4.39Å; I134-L143 PolarHBondContact N-O 2.78Å; I134-L143 PolarHBondContact O-N 3.46Å; I134-L145 HydrophobicContact CB-CD1 4.3Å; I134-L145 HydrophobicContact CG2-CD1 4.47Å; I134-L145 HydrophobicContact CG2-CD2 3.91Å; I134-L145 HydrophobicContact CG2-CG 4.35Å; I134-Y158 HydrophobicContact CB-CD2 4.46Å; I134-Y158 HydrophobicContact CB-CE2 4.14Å; I134-Y158 HydrophobicContact CD1-CE2 4.29Å; I134-Y158 HydrophobicContact CG1-CE2 4.06Å; I134-A161 HydrophobicContact CD1-CB 4.14Å; I134-A162 HydrophobicContact CD1-CB 3.95Å; I134-L165 HydrophobicContact CD1-CD1 3.56Å; I134-L165 HydrophobicContact CD1-CG 4.49Å; I134-L165 HydrophobicContact CG1-CD1 3.87Å; I134-L165 HydrophobicContact CG2-CD1 4.17Å; I134-L192 HydrophobicContact CG2-CD2 4.5Å |
| 135 | R | 93.8 | Very high | 91.7 | Very high | 161 Ų | 161 | 88.8 Ų | 88.8 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129 | 175.1 | -67.8 | 174.6 | 178 | -107.3 | 15.4 | 109.2 | R142 | R135-R142 HydrophobicContact CG-CG 4.37Å; R135-R142 VanDerWaalsContact CZ-CZ 3.45Å |
| 136 | L | 89.8 | Confident | 91.7 | Very high | 20 Ų | 20 | 82.6 Ų | 82.6 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | trans | -82.9 | 143 | 179.8 | -56.7 | 176.5 | 0 | 0 | 0 | 110.1 | R138 N139 T141 L165 L195 | L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.83Å; L136-N139 CarbonylContact C-O 3.54Å; L136-N139 HydrophobicContact CB-CB 4.22Å; L136-N139 WeakPolarHBondContact CB-O 3.46Å; L136-N139 HydrophobicContact CD1-CB 4.25Å; L136-T141 PolarHBondContact N-O 3.24Å; L136-L165 HydrophobicContact CD2-CD1 3.52Å; L136-L165 HydrophobicContact CD2-CD2 4.13Å; L136-L195 HydrophobicContact CD1-CD1 3.55Å; L136-L195 HydrophobicContact CD1-CD2 3.9Å; L136-L195 HydrophobicContact CD1-CG 4.38Å; L136-L195 HydrophobicContact CD2-CD1 3.84Å; L136-L195 HydrophobicContact CG-CD1 4.35Å | ||
| 137 | P | 84.7 | Confident | 91.8 | Very high | 95 Ų | 95 | 77.9 Ų | 77.9 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.7 | -27.6 | -176.9 | 26.7 | -33.8 | 0 | 0 | 0 | 112.9 | I199 | P137-I199 HydrophobicContact CG-CD1 4.14Š|
| 138 | R | 80.4 | Confident | 92 | Very high | 144 Ų | 144 | 70.2 Ų | 70.2 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -99.8 | -36.9 | -175.3 | -149.2 | 177.9 | -170.8 | 108.4 | 11.4 | 112.8 | L136 S202 | L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.83Å; R138-S202 VanDerWaalsContact NH1-CB 3.31Å; R138-S202 PolarHBondContact NH1-OG 2.94Å; R138-S202 VanDerWaalsContact NH1-OG 3.12Å; R138-S202 PolarHBondContact NH2-OG 3.29Å |
| 139 | N | 75.7 | Confident | 92.1 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -104.8 | 124.9 | -178.5 | -57 | -21.7 | 0 | 0 | 0 | 106.5 | L136 T141 | L136-N139 CarbonylContact C-O 3.54Å; L136-N139 HydrophobicContact CB-CB 4.22Å; L136-N139 WeakPolarHBondContact CB-O 3.46Å; L136-N139 HydrophobicContact CD1-CB 4.25Å; N139-T141 PolarHBondContact O-N 2.78Å |
| 140 | R | 84.2 | Confident | 92.1 | Very high | 252 Ų | 252 | 72.7 Ų | 72.7 | 95% | 0.951 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.6 | -0.6 | 172.5 | -165 | 175.3 | 176.4 | -176 | -0.8 | 112.5 | ||
| 141 | T | 91.7 | Very high | 92 | Very high | 88 Ų | 88 | 71 Ų | 71 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | trans | -64.3 | 146.5 | 172.8 | -40.9 | 0 | 0 | 0 | 0 | 112.3 | L136 N139 | L136-T141 PolarHBondContact N-O 3.24Å; N139-T141 PolarHBondContact O-N 2.78Å | ||
| 142 | R | 94.1 | Very high | 91.9 | Very high | 123 Ų | 123 | 75.2 Ų | 75.2 | 46% | 0.464 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.6 | 173.2 | -57.8 | 178.2 | -174.8 | -135.3 | 12.7 | 108.6 | E133 I134 R135 | E133-R142 WeakPolarHBondContact OE1-CD 3.18Å; E133-R142 IonicContact OE1-CZ 3.72Å; E133-R142 IonicContact OE1-NE 3.99Å; E133-R142 IonicContact OE1-NH1 3.74Å; E133-R142 PolarHBondContact OE1-NH1 3.44Å; I134-R142 WeakPolarHBondContact O-CA 3.36Å; R135-R142 HydrophobicContact CG-CG 4.37Å; R135-R142 VanDerWaalsContact CZ-CZ 3.45Å |
| 143 | L | 93.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.1 | 170.3 | 178.6 | 66.3 | 0 | 0 | 0 | 108.3 | E133 I134 L145 V188 K191 L192 | E133-L143 CarbonylContact C-O 3.59Å; E133-L143 VanDerWaalsContact CA-O 3.25Å; E133-L143 WeakPolarHBondContact CA-O 3.35Å; I134-L143 HydrophobicContact CG2-CB 3.8Å; I134-L143 HydrophobicContact CG2-CD2 4.2Å; I134-L143 HydrophobicContact CG2-CG 4.39Å; I134-L143 PolarHBondContact N-O 2.78Å; I134-L143 PolarHBondContact O-N 3.46Å; L143-L145 HydrophobicContact CD2-CD2 4.11Å; L143-L145 HydrophobicContact CG-CD2 4.24Å; L143-V188 HydrophobicContact CD2-CG1 4.17Å; L143-K191 HydrophobicContact CD1-CD 3.59Å; L143-K191 HydrophobicContact CD1-CG 4.21Å; L143-L192 HydrophobicContact CD2-CD2 3.41Å; L143-L192 VanDerWaalsContact CD2-CD2 3.41Å; L143-L192 HydrophobicContact CD2-CG 3.82Å |
| 144 | W | 94.5 | Very high | 91.7 | Very high | 160 Ų | 160 | 78 Ų | 78 | 61% | 0.606 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.2 | 170.7 | 177.4 | 40.2 | 0 | 0 | 0 | 108.8 | G146 T147 | W144-G146 PolarHBondContact NE1-O 3.27Å; W144-T147 HydrophobicContact CZ2-CG2 3.77Å |
| 145 | L | 95.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -35.9 | -177.6 | -58.1 | 176 | 0 | 0 | 0 | 111.4 | A132 I134 L143 Y158 A161 V188 | A132-L145 HydrophobicContact CB-CB 4.16Å; A132-L145 HydrophobicContact CB-CD1 4.2Å; A132-L145 WeakPolarHBondContact O-CB 3.42Å; A132-L145 PolarHBondContact O-N 3.48Å; I134-L145 HydrophobicContact CB-CD1 4.3Å; I134-L145 HydrophobicContact CG2-CD1 4.47Å; I134-L145 HydrophobicContact CG2-CD2 3.91Å; I134-L145 HydrophobicContact CG2-CG 4.35Å; L143-L145 HydrophobicContact CD2-CD2 4.11Å; L143-L145 HydrophobicContact CG-CD2 4.24Å; L145-Y158 HydrophobicContact CD1-CD2 4.35Å; L145-A161 HydrophobicContact CD1-CB 3.57Å; L145-A161 HydrophobicContact CD2-CB 3.56Å; L145-A161 HydrophobicContact CG-CB 4.23Å; L145-V188 HydrophobicContact CD2-CG1 3.53Å |
| 146 | G | 95.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 72.2 Ų | 72.2 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A132 W144 | A132-G146 PolarHBondContact N-O 3.15Å; A132-G146 VanDerWaalsContact N-O 3.12Å; A132-G146 PolarHBondContact O-N 2.98Å; W144-G146 PolarHBondContact NE1-O 3.27Å |
| 147 | T | 96.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133 | 169.2 | 49.9 | 0 | 0 | 0 | 0 | 107.7 | W130 V131 W144 | W130-T147 CarbonylContact O-C 3.49Å; W130-T147 VanDerWaalsContact O-CA 3.27Å; W130-T147 WeakPolarHBondContact O-CA 3.4Å; V131-T147 HydrophobicContact CG2-CG2 4.05Å; W144-T147 HydrophobicContact CZ2-CG2 3.77Å |
| 148 | F | 95.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.1 | -172.9 | -55.3 | -85 | 0 | 0 | 0 | 110.3 | W130 A132 E153 A154 A157 | W130-F148 PolarHBondContact N-O 3.37Å; W130-F148 PolarHBondContact O-N 3.01Å; A132-F148 HydrophobicContact CB-CD2 4.2Å; A132-F148 HydrophobicContact CB-CE2 3.75Å; F148-E153 HydrophobicContact CB-CB 4.4Å; F148-E153 HydrophobicContact CB-CG 4.46Å; F148-E153 HydrophobicContact CD1-CB 4.34Å; F148-E153 VanDerWaalsContact CD1-CD 3.46Å; F148-E153 HydrophobicContact CD1-CG 3.58Å; F148-E153 HydrophobicContact CE1-CG 4.15Å; F148-E153 HydrophobicContact CG-CG 4.26Å; F148-A154 HydrophobicContact CB-CB 4Å; F148-A154 VanDerWaalsContact CD2-CA 3.41Å; F148-A154 HydrophobicContact CD2-CB 3.57Å; F148-A154 HydrophobicContact CE2-CB 4.4Å; F148-A154 HydrophobicContact CG-CB 4.02Å; F148-A157 HydrophobicContact CE1-CB 4.04Å; F148-A157 HydrophobicContact CE2-CB 3.75Å; F148-A157 HydrophobicContact CZ-CB 3.31Å |
| 149 | D | 95.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 62 Ų | 62 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -85 | -29.1 | -179.9 | -69.2 | -29.4 | 0 | 0 | 0 | 112.2 | K129 W130 | K129-D149 VanDerWaalsContact CD-OD1 3.32Å; K129-D149 WeakPolarHBondContact CD-OD1 3.47Å; K129-D149 WeakPolarHBondContact CE-OD1 3.39Å; K129-D149 IonicContact NZ-OD1 2.56Å; K129-D149 PolarHBondContact NZ-OD1 3.26Å; W130-D149 VanDerWaalsContact CD1-O 3.22Å |
| 150 | T | 94.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 37% | 0.368 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -112.3 | 155.9 | 179.4 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | W130 E152 E153 A154 | W130-T150 VanDerWaalsContact CD1-C 3.49Å; T150-E152 WeakPolarHBondContact CB-OE2 3.26Å; T150-E153 WeakPolarHBondContact OG1-CB 3.39Å; T150-E153 PolarHBondContact OG1-N 3.37Å; T150-A154 PolarHBondContact O-N 3.5Å |
| 151 | A | 94.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.7 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y119 W130 A155 | Y119-A151 HydrophobicContact CD2-CB 3.87Å; Y119-A151 WeakPolarHBondContact CD2-O 3.36Å; Y119-A151 HydrophobicContact CE2-CB 3.82Å; W130-A151 HydrophobicContact CD2-CB 3.79Å; W130-A151 HydrophobicContact CE3-CB 3.94Å; W130-A151 HydrophobicContact CG-CB 4.44Å; W130-A151 HydrophobicContact CH2-CB 3.84Å; W130-A151 HydrophobicContact CZ2-CB 3.73Å; W130-A151 HydrophobicContact CZ3-CB 3.95Å; A151-A155 VanDerWaalsContact O-CB 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.97Å |
| 152 | E | 93.5 | Very high | 94.4 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -46.8 | -179.5 | -61.6 | 83 | 179.6 | 0 | 0 | 111.5 | Y119 T150 A155 L156 F174 | Y119-E152 HydrophobicContact CE2-CG 4.32Å; T150-E152 WeakPolarHBondContact CB-OE2 3.26Å; E152-A155 WeakPolarHBondContact O-CB 3.18Å; E152-A155 PolarHBondContact O-N 3.33Å; E152-A155 VanDerWaalsContact O-N 3.15Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.24Å; E152-F174 HydrophobicContact CB-CZ 4.49Å |
| 153 | E | 93.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.6 | -172.7 | -172.6 | -174.9 | 0 | 0 | 111.4 | F148 T150 A155 L156 A157 | F148-E153 HydrophobicContact CB-CB 4.4Å; F148-E153 HydrophobicContact CB-CG 4.46Å; F148-E153 HydrophobicContact CD1-CB 4.34Å; F148-E153 VanDerWaalsContact CD1-CD 3.46Å; F148-E153 HydrophobicContact CD1-CG 3.58Å; F148-E153 HydrophobicContact CE1-CG 4.15Å; F148-E153 HydrophobicContact CG-CG 4.26Å; T150-E153 WeakPolarHBondContact OG1-CB 3.39Å; T150-E153 PolarHBondContact OG1-N 3.37Å; E153-A155 PolarHBondContact O-N 3.35Å; E153-L156 PolarHBondContact O-N 3.48Å; E153-A157 PolarHBondContact O-N 3.26Å |
| 154 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -38.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V122 W130 A132 F148 T150 Y158 | V122-A154 HydrophobicContact CB-CB 4.37Å; V122-A154 HydrophobicContact CG1-CB 3.73Å; V122-A154 HydrophobicContact CG2-CB 3.73Å; W130-A154 HydrophobicContact CB-CB 4.02Å; A132-A154 HydrophobicContact CB-CB 4.26Å; A132-A154 VanDerWaalsContact CB-O 3.32Å; A132-A154 WeakPolarHBondContact CB-O 3.48Å; F148-A154 HydrophobicContact CB-CB 4Å; F148-A154 VanDerWaalsContact CD2-CA 3.41Å; F148-A154 HydrophobicContact CD2-CB 3.57Å; F148-A154 HydrophobicContact CE2-CB 4.4Å; F148-A154 HydrophobicContact CG-CB 4.02Å; T150-A154 PolarHBondContact O-N 3.5Å; A154-Y158 PolarHBondContact O-N 3.38Å |
| 155 | A | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.1 | -36.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y119 V122 A151 E152 E153 Y158 D159 N173 F174 | Y119-A155 HydrophobicContact CD1-CB 3.86Å; Y119-A155 HydrophobicContact CD2-CB 3.78Å; Y119-A155 HydrophobicContact CG-CB 3.41Å; Y119-A155 VanDerWaalsContact CG-CB 3.41Å; V122-A155 HydrophobicContact CG2-CB 3.95Å; A151-A155 VanDerWaalsContact O-CB 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.97Å; E152-A155 WeakPolarHBondContact O-CB 3.18Å; E152-A155 PolarHBondContact O-N 3.33Å; E152-A155 VanDerWaalsContact O-N 3.15Å; E153-A155 PolarHBondContact O-N 3.35Å; A155-Y158 WeakPolarHBondContact O-CB 3.48Å; A155-Y158 PolarHBondContact O-N 3.02Å; A155-D159 PolarHBondContact O-N 2.86Å; A155-N173 HydrophobicContact CB-CB 4.4Å; A155-F174 HydrophobicContact CB-CE2 3.51Å; A155-F174 HydrophobicContact CB-CZ 4.01Å |
| 156 | L | 93.7 | Very high | 93.7 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.8 | -73.6 | 171.7 | 0 | 0 | 0 | 111.3 | E152 E153 Y158 D159 Q160 F174 | E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.24Å; E153-L156 PolarHBondContact O-N 3.48Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.14Å; L156-D159 PolarHBondContact O-N 2.93Å; L156-D159 VanDerWaalsContact O-N 3.13Å; L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.32Å; L156-Q160 PolarHBondContact O-N 2.88Å; L156-F174 HydrophobicContact CD2-CD2 3.67Å; L156-F174 HydrophobicContact CD2-CE2 4.02Å; L156-F174 HydrophobicContact CD2-CG 4.44Å; L156-F174 HydrophobicContact CG-CD2 4.14Å; L156-F174 HydrophobicContact CG-CE2 3.97Å |
| 157 | A | 94.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F148 E153 A161 L184 | F148-A157 HydrophobicContact CE1-CB 4.04Å; F148-A157 HydrophobicContact CE2-CB 3.75Å; F148-A157 HydrophobicContact CZ-CB 3.31Å; E153-A157 PolarHBondContact O-N 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.41Å; A157-A161 PolarHBondContact O-N 3.33Å; A157-A161 VanDerWaalsContact O-N 3.09Å; A157-L184 HydrophobicContact CB-CD2 4.25Å |
| 158 | Y | 95.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 172.5 | -178.4 | -85 | 0 | 0 | 0 | 112.2 | R120 E133 I134 L145 A154 A155 L156 A161 A162 | R120-Y158 HydrophobicContact CB-CE1 4.5Å; R120-Y158 HydrophobicContact CG-CE1 4.13Å; R120-Y158 PolarHBondContact NE-OH 2.8Å; R120-Y158 VanDerWaalsContact NH2-CE1 3.31Å; R120-Y158 WeakPolarHBondContact O-CD1 3.37Å; R120-Y158 VanDerWaalsContact O-CG 3.3Å; E133-Y158 WeakPolarHBondContact O-CD2 3.2Å; E133-Y158 WeakPolarHBondContact O-CE2 3.43Å; I134-Y158 HydrophobicContact CB-CD2 4.46Å; I134-Y158 HydrophobicContact CB-CE2 4.14Å; I134-Y158 HydrophobicContact CD1-CE2 4.29Å; I134-Y158 HydrophobicContact CG1-CE2 4.06Å; L145-Y158 HydrophobicContact CD1-CD2 4.35Å; A154-Y158 PolarHBondContact O-N 3.38Å; A155-Y158 WeakPolarHBondContact O-CB 3.48Å; A155-Y158 PolarHBondContact O-N 3.02Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.14Å; Y158-A161 PolarHBondContact O-N 3.37Å; Y158-A162 HydrophobicContact CD1-CB 4.34Å; Y158-A162 HydrophobicContact CE1-CB 3.96Å; Y158-A162 VanDerWaalsContact O-CB 3.32Å; Y158-A162 WeakPolarHBondContact O-CB 3.47Å; Y158-A162 PolarHBondContact O-N 3.38Å |
| 159 | D | 94.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | -178.1 | -79 | -7.1 | 0 | 0 | 0 | 112.2 | R120 A155 L156 A161 A162 Y163 L172 N173 F174 | R120-D159 IonicContact NH2-OD1 3.64Å; R120-D159 PolarHBondContact NH2-OD1 3.15Å; A155-D159 PolarHBondContact O-N 2.86Å; L156-D159 PolarHBondContact O-N 2.93Å; L156-D159 VanDerWaalsContact O-N 3.13Å; D159-A161 PolarHBondContact O-N 3.43Å; D159-A162 PolarHBondContact O-N 3.31Å; D159-Y163 WeakPolarHBondContact O-CB 3.04Å; D159-Y163 PolarHBondContact O-N 3.18Å; D159-L172 HydrophobicContact CB-CB 4.4Å; D159-L172 HydrophobicContact CB-CD2 4.02Å; D159-L172 WeakPolarHBondContact OD1-CA 3.41Å; D159-N173 PolarHBondContact OD1-N 3.01Å; D159-N173 PolarHBondContact OD1-ND2 2.73Å; D159-N173 WeakPolarHBondContact OD2-CA 3.43Å; D159-N173 WeakPolarHBondContact OD2-CB 3.27Å; D159-N173 PolarHBondContact OD2-N 3.1Å; D159-F174 PolarHBondContact OD2-N 2.72Å |
| 160 | Q | 92.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -48.4 | 172 | -68.6 | 163 | 9.6 | 0 | 0 | 110.7 | L156 A162 Y163 R164 R181 G182 L184 | L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.32Å; L156-Q160 PolarHBondContact O-N 2.88Å; Q160-A162 PolarHBondContact O-N 2.87Å; Q160-Y163 PolarHBondContact O-N 3.25Å; Q160-R164 WeakPolarHBondContact O-CG 3.42Å; Q160-R164 PolarHBondContact O-N 2.74Å; Q160-R181 HydrophobicContact CG-CB 4.2Å; Q160-G182 VanDerWaalsContact NE2-N 3.1Å; Q160-G182 PolarHBondContact NE2-O 2.72Å; Q160-G182 PolarHBondContact OE1-O 2.86Å; Q160-L184 HydrophobicContact CB-CD1 3.95Å; Q160-L184 HydrophobicContact CB-CD2 3.87Å; Q160-L184 HydrophobicContact CB-CG 3.75Å |
| 161 | A | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I134 L145 A157 Y158 D159 Y163 R164 L165 L184 L192 | I134-A161 HydrophobicContact CD1-CB 4.14Å; L145-A161 HydrophobicContact CD1-CB 3.57Å; L145-A161 HydrophobicContact CD2-CB 3.56Å; L145-A161 HydrophobicContact CG-CB 4.23Å; A157-A161 WeakPolarHBondContact O-CB 3.41Å; A157-A161 PolarHBondContact O-N 3.33Å; A157-A161 VanDerWaalsContact O-N 3.09Å; Y158-A161 PolarHBondContact O-N 3.37Å; D159-A161 PolarHBondContact O-N 3.43Å; A161-Y163 VanDerWaalsContact C-N 3.35Å; A161-R164 PolarHBondContact O-N 3.35Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 2.87Å; A161-L165 VanDerWaalsContact O-N 3.09Å; A161-L184 HydrophobicContact CB-CD1 4.03Å; A161-L192 HydrophobicContact CB-CD1 3.67Å |
| 162 | A | 93 | Very high | 92 | Very high | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I134 Y158 D159 Q160 L165 R166 A170 L172 | I134-A162 HydrophobicContact CD1-CB 3.95Å; Y158-A162 HydrophobicContact CD1-CB 4.34Å; Y158-A162 HydrophobicContact CE1-CB 3.96Å; Y158-A162 VanDerWaalsContact O-CB 3.32Å; Y158-A162 WeakPolarHBondContact O-CB 3.47Å; Y158-A162 PolarHBondContact O-N 3.38Å; D159-A162 PolarHBondContact O-N 3.31Å; Q160-A162 PolarHBondContact O-N 2.87Å; A162-L165 PolarHBondContact O-N 3.07Å; A162-R166 PolarHBondContact O-N 3.32Å; A162-A170 HydrophobicContact CB-CB 4.3Å; A162-L172 HydrophobicContact CB-CD2 4.06Å |
| 163 | Y | 91.9 | Very high | 92 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.3 | -172.2 | -105.3 | 0 | 0 | 0 | 111.6 | D159 Q160 A161 L165 G167 D168 R181 | D159-Y163 WeakPolarHBondContact O-CB 3.04Å; D159-Y163 PolarHBondContact O-N 3.18Å; Q160-Y163 PolarHBondContact O-N 3.25Å; A161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-L165 PolarHBondContact O-N 3.05Å; Y163-G167 WeakPolarHBondContact CD2-O 3.43Å; Y163-G167 WeakPolarHBondContact O-CA 3.45Å; Y163-G167 PolarHBondContact O-N 2.96Å; Y163-D168 WeakPolarHBondContact CE2-OD1 3.3Å; Y163-D168 PolarHBondContact OH-OD1 2.83Å; Y163-R181 VanDerWaalsContact CD2-NH1 3.34Å; Y163-R181 VanDerWaalsContact CE1-NH1 3.29Å |
| 164 | R | 90.7 | Very high | 91.8 | Very high | 132 Ų | 132 | 50.8 Ų | 50.8 | 50% | 0.498 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.3 | -64.1 | -64.1 | -177.7 | -166.7 | -2.2 | 112 | Q160 A161 D189 L192 C196 | Q160-R164 WeakPolarHBondContact O-CG 3.42Å; Q160-R164 PolarHBondContact O-N 2.74Å; A161-R164 PolarHBondContact O-N 3.35Å; R164-D189 IonicContact NE-OD1 2.74Å; R164-L192 HydrophobicContact CB-CB 4.39Å; R164-L192 HydrophobicContact CB-CD1 4.34Å; R164-C196 PolarHBondContact O-SG 2.95Å |
| 165 | L | 90.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.2 | -37.7 | -177.1 | -72.3 | -178.9 | 0 | 0 | 0 | 115.3 | I134 L136 A161 A162 Y163 L192 L195 | I134-L165 HydrophobicContact CD1-CD1 3.56Å; I134-L165 HydrophobicContact CD1-CG 4.49Å; I134-L165 HydrophobicContact CG1-CD1 3.87Å; I134-L165 HydrophobicContact CG2-CD1 4.17Å; L136-L165 HydrophobicContact CD2-CD1 3.52Å; L136-L165 HydrophobicContact CD2-CD2 4.13Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 2.87Å; A161-L165 VanDerWaalsContact O-N 3.09Å; A162-L165 PolarHBondContact O-N 3.07Å; Y163-L165 PolarHBondContact O-N 3.05Å; L165-L192 HydrophobicContact CD1-CD2 3.91Å; L165-L192 HydrophobicContact CD2-CD2 3.61Å; L165-L192 HydrophobicContact CG-CD2 3.66Å; L165-L195 HydrophobicContact CD2-CB 4.31Å |
| 166 | R | 89.7 | Confident | 90.8 | Very high | 160 Ų | 160 | 62.4 Ų | 62.4 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -115.3 | -13.4 | -170 | -164.2 | 173.3 | -61.6 | -158.8 | -0.1 | 113.4 | A162 A169 A170 | A162-R166 PolarHBondContact O-N 3.32Å; R166-A169 WeakPolarHBondContact CD-O 3.36Å; R166-A169 HydrophobicContact CG-CB 4.17Å; R166-A170 HydrophobicContact CB-CB 4.09Å |
| 167 | G | 88.2 | Confident | 89.7 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 69.5 | -146.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y163 A169 A170 | Y163-G167 WeakPolarHBondContact CD2-O 3.43Å; Y163-G167 WeakPolarHBondContact O-CA 3.45Å; Y163-G167 PolarHBondContact O-N 2.96Å; G167-A169 PolarHBondContact O-N 2.74Å; G167-A169 VanDerWaalsContact O-N 3.16Å; G167-A170 WeakPolarHBondContact O-CB 3.28Å; G167-A170 PolarHBondContact O-N 3.02Å |
| 168 | D | 87.1 | Confident | 88.2 | Confident | 138 Ų | 138 | 66 Ų | 66 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -65.4 | -19.4 | -177.1 | -50.7 | -47.6 | 0 | 0 | 0 | 113.5 | Y163 A170 | Y163-D168 WeakPolarHBondContact CE2-OD1 3.3Å; Y163-D168 PolarHBondContact OH-OD1 2.83Å; D168-A170 PolarHBondContact O-N 3.12Å |
| 169 | A | 86.4 | Confident | 86.3 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -78.6 | 4.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R166 G167 R171 | R166-A169 WeakPolarHBondContact CD-O 3.36Å; R166-A169 HydrophobicContact CG-CB 4.17Å; G167-A169 PolarHBondContact O-N 2.74Å; G167-A169 VanDerWaalsContact O-N 3.16Å; A169-R171 PolarHBondContact O-N 2.79Å |
| 170 | A | 90.7 | Very high | 84.7 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 12% | 0.124 | 40% | 0.395 | C | S | . | . | trans | -67.4 | 120.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A162 R166 G167 D168 L172 | A162-A170 HydrophobicContact CB-CB 4.3Å; R166-A170 HydrophobicContact CB-CB 4.09Å; G167-A170 WeakPolarHBondContact O-CB 3.28Å; G167-A170 PolarHBondContact O-N 3.02Å; D168-A170 PolarHBondContact O-N 3.12Å; A170-L172 HydrophobicContact CB-CD2 3.61Å; A170-L172 HydrophobicContact CB-CG 4.34Å; A170-L172 PolarHBondContact O-N 2.83Å | ||
| 171 | R | 91.1 | Very high | 83.7 | Confident | 198 Ų | 198 | 75.2 Ų | 75.2 | 75% | 0.747 | 41% | 0.405 | S | S | * | . | trans | -68.7 | 122.1 | 161 | -60.8 | 175.3 | 66.7 | -171.1 | 1 | 106.3 | R120 A169 | R120-R171 VanDerWaalsContact CZ-C 3.49Å; R120-R171 PolarHBondContact NH1-O 3.49Å; R120-R171 PolarHBondContact NH2-O 2.95Å; A169-R171 PolarHBondContact O-N 2.79Å | ||
| 172 | L | 92.5 | Very high | 82.8 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 17% | 0.173 | 42% | 0.42 | C | S | . | . | trans | -107 | 167.9 | -179.5 | -58.7 | -169.6 | 0 | 0 | 0 | 110.3 | R120 D159 A162 A170 | R120-L172 PolarHBondContact NH1-O 2.97Å; R120-L172 PolarHBondContact NH2-O 3.36Å; D159-L172 HydrophobicContact CB-CB 4.4Å; D159-L172 HydrophobicContact CB-CD2 4.02Å; D159-L172 WeakPolarHBondContact OD1-CA 3.41Å; A162-L172 HydrophobicContact CB-CD2 4.06Å; A170-L172 HydrophobicContact CB-CD2 3.61Å; A170-L172 HydrophobicContact CB-CG 4.34Å; A170-L172 PolarHBondContact O-N 2.83Å | ||
| 173 | N | 92.7 | Very high | 82.2 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 19% | 0.193 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -85 | -39.4 | 170.7 | -67.9 | -57.5 | 0 | 0 | 0 | 110 | Y119 R120 A155 D159 P175 | Y119-N173 HydrophobicContact CD1-CB 4.1Å; R120-N173 WeakPolarHBondContact CB-OD1 3.49Å; R120-N173 PolarHBondContact N-OD1 2.77Å; R120-N173 PolarHBondContact O-ND2 2.99Å; R120-N173 VanDerWaalsContact O-ND2 3.08Å; A155-N173 HydrophobicContact CB-CB 4.4Å; D159-N173 PolarHBondContact OD1-N 3.01Å; D159-N173 PolarHBondContact OD1-ND2 2.73Å; D159-N173 WeakPolarHBondContact OD2-CA 3.43Å; D159-N173 WeakPolarHBondContact OD2-CB 3.27Å; D159-N173 PolarHBondContact OD2-N 3.1Å; N173-P175 WeakPolarHBondContact O-CD 3.4Å |
| 174 | F | 90.4 | Very high | 81.9 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 18% | 0.18 | 45% | 0.451 | C | S | . | . | trans | -115.9 | 86.6 | 179.1 | -51.9 | -75.7 | 0 | 0 | 0 | 110.8 | Y119 E152 A155 L156 D159 D176 N177 | Y119-F174 HydrophobicContact CD1-CE1 4.46Å; Y119-F174 HydrophobicContact CD1-CZ 4Å; Y119-F174 AromaticContact CE1-CE1 3.66Å; Y119-F174 HydrophobicContact CE1-CE1 3.66Å; Y119-F174 HydrophobicContact CE1-CE2 4.42Å; Y119-F174 AromaticContact CE1-CZ 3.47Å; Y119-F174 HydrophobicContact CE1-CZ 3.47Å; Y119-F174 VanDerWaalsContact CE1-CZ 3.47Å; Y119-F174 AromaticContact CZ-CZ 3.8Å; E152-F174 HydrophobicContact CB-CZ 4.49Å; A155-F174 HydrophobicContact CB-CE2 3.51Å; A155-F174 HydrophobicContact CB-CZ 4.01Å; L156-F174 HydrophobicContact CD2-CD2 3.67Å; L156-F174 HydrophobicContact CD2-CE2 4.02Å; L156-F174 HydrophobicContact CD2-CG 4.44Å; L156-F174 HydrophobicContact CG-CD2 4.14Å; L156-F174 HydrophobicContact CG-CE2 3.97Å; D159-F174 PolarHBondContact OD2-N 2.72Å; F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 2.95Å; F174-N177 HydrophobicContact CB-CB 3.83Å; F174-N177 PolarHBondContact O-N 3.03Å | ||
| 175 | P | 86.2 | Confident | 81.9 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 60% | 0.597 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -63.8 | -35.5 | 178.1 | 26.1 | -33.2 | 0 | 0 | 0 | 112.3 | N173 N177 | N173-P175 WeakPolarHBondContact O-CD 3.4Å; P175-N177 VanDerWaalsContact C-N 3.29Å; P175-N177 PolarHBondContact O-N 3.11Å |
| 176 | D | 82.1 | Confident | 81.9 | Confident | 151 Ų | 151 | 82.8 Ų | 82.8 | 81% | 0.807 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.8 | -175.7 | -51.9 | -28.8 | 0 | 0 | 0 | 112.4 | F174 A178 | F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 2.95Å; D176-A178 VanDerWaalsContact C-N 3.26Å; D176-A178 PolarHBondContact O-N 3.02Å |
| 177 | N | 71.5 | Confident | 82 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 36 | -176.9 | -69.3 | -10.8 | 0 | 0 | 0 | 112.6 | F174 P175 A179 S180 | F174-N177 HydrophobicContact CB-CB 3.83Å; F174-N177 PolarHBondContact O-N 3.03Å; P175-N177 VanDerWaalsContact C-N 3.29Å; P175-N177 PolarHBondContact O-N 3.11Å; N177-A179 PolarHBondContact O-N 2.79Å; N177-A179 VanDerWaalsContact O-N 3.08Å; N177-S180 PolarHBondContact O-N 3.13Å |
| 178 | A | 62.1 | Low | 82.3 | Confident | 52 Ų | 52 | 78 Ų | 78 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -54.4 | -30.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D176 R181 | D176-A178 VanDerWaalsContact C-N 3.26Å; D176-A178 PolarHBondContact O-N 3.02Å; A178-R181 WeakPolarHBondContact O-CD 3.44Å; A178-R181 WeakPolarHBondContact O-CG 3.38Å |
| 179 | A | 55.9 | Low | 82.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 88% | 0.876 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -78 | -23.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N177 R181 | N177-A179 PolarHBondContact O-N 2.79Å; N177-A179 VanDerWaalsContact O-N 3.08Å; A179-R181 PolarHBondContact O-N 2.93Å |
| 180 | S | 60.7 | Low | 82.9 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -86.8 | 19.5 | -175.4 | -168 | 0 | 0 | 0 | 0 | 113.6 | N177 G182 | N177-S180 PolarHBondContact O-N 3.13Å; S180-G182 PolarHBondContact O-N 2.79Å |
| 181 | R | 70.5 | Confident | 82.9 | Confident | 84 Ų | 84 | 76.6 Ų | 76.6 | 32% | 0.317 | 45% | 0.447 | S | S | . | . | trans | -75.8 | 75.2 | 177.1 | -64.5 | 173.9 | -176.7 | 162.7 | 0.3 | 109.4 | Q160 Y163 A178 A179 | Q160-R181 HydrophobicContact CG-CB 4.2Å; Y163-R181 VanDerWaalsContact CD2-NH1 3.34Å; Y163-R181 VanDerWaalsContact CE1-NH1 3.29Å; A178-R181 WeakPolarHBondContact O-CD 3.44Å; A178-R181 WeakPolarHBondContact O-CG 3.38Å; A179-R181 PolarHBondContact O-N 2.93Å | ||
| 182 | G | 74.7 | Confident | 83 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 166.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q160 S180 | Q160-G182 VanDerWaalsContact NE2-N 3.1Å; Q160-G182 PolarHBondContact NE2-O 2.72Å; Q160-G182 PolarHBondContact OE1-O 2.86Å; S180-G182 PolarHBondContact O-N 2.79Å |
| 183 | P | 82 | Confident | 83 | Confident | 128 Ų | 128 | 70 Ų | 70 | 83% | 0.831 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 136.7 | 175 | 27.1 | -31.9 | 0 | 0 | 0 | 110.6 | ||
| 184 | L | 85.2 | Confident | 83 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 13% | 0.131 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 163.6 | 166.9 | -74.1 | 170 | 0 | 0 | 0 | 110.2 | A157 Q160 A161 A186 D189 L192 | A157-L184 HydrophobicContact CB-CD2 4.25Å; Q160-L184 HydrophobicContact CB-CD1 3.95Å; Q160-L184 HydrophobicContact CB-CD2 3.87Å; Q160-L184 HydrophobicContact CB-CG 3.75Å; A161-L184 HydrophobicContact CB-CD1 4.03Å; L184-A186 PolarHBondContact O-N 2.71Å; L184-D189 HydrophobicContact CB-CB 4.33Å; L184-L192 HydrophobicContact CD1-CD1 3.63Å |
| 185 | H | 89.5 | Confident | 83 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 130.1 | 168.8 | -172 | -101.3 | 0 | 0 | 0 | 110.4 | S187 V188 D189 | H185-S187 VanDerWaalsContact C-N 3.25Å; H185-S187 PolarHBondContact CE1-OG 2.95Å; H185-S187 VanDerWaalsContact CE1-OG 3.24Å; H185-S187 PolarHBondContact ND1-OG 3.17Å; H185-S187 PolarHBondContact O-N 3.36Å; H185-S187 VanDerWaalsContact O-N 3.1Å; H185-V188 HydrophobicContact CB-CB 4.5Å; H185-V188 HydrophobicContact CB-CG2 4.23Å; H185-V188 WeakPolarHBondContact O-CA 3.41Å; H185-V188 WeakPolarHBondContact O-CB 3.47Å; H185-V188 PolarHBondContact O-N 3.12Å; H185-D189 PolarHBondContact O-N 2.79Å |
| 186 | A | 91 | Very high | 83.1 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -54.1 | -38.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L184 V188 D189 A190 | L184-A186 PolarHBondContact O-N 2.71Å; A186-V188 VanDerWaalsContact C-N 3.35Å; A186-V188 PolarHBondContact O-N 2.72Å; A186-D189 PolarHBondContact O-N 2.85Å; A186-A190 WeakPolarHBondContact O-CB 3.31Å; A186-A190 PolarHBondContact O-N 2.56Å |
| 187 | S | 92.1 | Very high | 83.6 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 178 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | H185 K191 | H185-S187 VanDerWaalsContact C-N 3.25Å; H185-S187 PolarHBondContact CE1-OG 2.95Å; H185-S187 VanDerWaalsContact CE1-OG 3.24Å; H185-S187 PolarHBondContact ND1-OG 3.17Å; H185-S187 PolarHBondContact O-N 3.36Å; H185-S187 VanDerWaalsContact O-N 3.1Å; S187-K191 WeakPolarHBondContact O-CB 3.32Å; S187-K191 PolarHBondContact O-N 2.8Å |
| 188 | V | 92.9 | Very high | 84.4 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | L143 L145 H185 A186 K191 L192 | L143-V188 HydrophobicContact CD2-CG1 4.17Å; L145-V188 HydrophobicContact CD2-CG1 3.53Å; H185-V188 HydrophobicContact CB-CB 4.5Å; H185-V188 HydrophobicContact CB-CG2 4.23Å; H185-V188 WeakPolarHBondContact O-CA 3.41Å; H185-V188 WeakPolarHBondContact O-CB 3.47Å; H185-V188 PolarHBondContact O-N 3.12Å; A186-V188 VanDerWaalsContact C-N 3.35Å; A186-V188 PolarHBondContact O-N 2.72Å; V188-K191 PolarHBondContact O-N 3.04Å; V188-L192 HydrophobicContact CG1-CD1 4.04Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.36Å; V188-L192 PolarHBondContact O-N 3.45Å |
| 189 | D | 92.9 | Very high | 85.6 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 178.6 | -165.1 | 35.5 | 0 | 0 | 0 | 111.9 | R164 L184 H185 A186 K191 L192 Q193 | R164-D189 IonicContact NE-OD1 2.74Å; L184-D189 HydrophobicContact CB-CB 4.33Å; H185-D189 PolarHBondContact O-N 2.79Å; A186-D189 PolarHBondContact O-N 2.85Å; D189-K191 VanDerWaalsContact C-N 3.25Å; D189-K191 PolarHBondContact O-N 3.02Å; D189-L192 PolarHBondContact O-N 2.76Å; D189-Q193 WeakPolarHBondContact O-CB 3.49Å; D189-Q193 VanDerWaalsContact O-CG 3.28Å; D189-Q193 WeakPolarHBondContact O-CG 3.43Å; D189-Q193 PolarHBondContact O-N 2.92Å; D189-Q193 PolarHBondContact OD2-NE2 3.25Å |
| 190 | A | 93.2 | Very high | 87 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.8 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A186 S194 | A186-A190 WeakPolarHBondContact O-CB 3.31Å; A186-A190 PolarHBondContact O-N 2.56Å; A190-S194 PolarHBondContact O-N 3.09Å; A190-S194 PolarHBondContact O-OG 3.39Å |
| 191 | K | 92.7 | Very high | 88.3 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 175.7 | -170.9 | 160.3 | 179.5 | 178.3 | 0 | 112.2 | L143 S187 V188 D189 S194 L195 | L143-K191 HydrophobicContact CD1-CD 3.59Å; L143-K191 HydrophobicContact CD1-CG 4.21Å; S187-K191 WeakPolarHBondContact O-CB 3.32Å; S187-K191 PolarHBondContact O-N 2.8Å; V188-K191 PolarHBondContact O-N 3.04Å; D189-K191 VanDerWaalsContact C-N 3.25Å; D189-K191 PolarHBondContact O-N 3.02Å; K191-S194 PolarHBondContact O-OG 2.74Å; K191-L195 HydrophobicContact CG-CD1 4.24Å; K191-L195 WeakPolarHBondContact O-CB 3.45Å; K191-L195 WeakPolarHBondContact O-CD1 3.3Å; K191-L195 WeakPolarHBondContact O-CG 3.12Å; K191-L195 PolarHBondContact O-N 2.94Å; K191-L195 VanDerWaalsContact O-N 3.08Å |
| 192 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.2 | -71 | 175.2 | 0 | 0 | 0 | 111.5 | I134 L143 A161 R164 L165 L184 V188 D189 L195 C196 | I134-L192 HydrophobicContact CG2-CD2 4.5Å; L143-L192 HydrophobicContact CD2-CD2 3.41Å; L143-L192 VanDerWaalsContact CD2-CD2 3.41Å; L143-L192 HydrophobicContact CD2-CG 3.82Å; A161-L192 HydrophobicContact CB-CD1 3.67Å; R164-L192 HydrophobicContact CB-CB 4.39Å; R164-L192 HydrophobicContact CB-CD1 4.34Å; L165-L192 HydrophobicContact CD1-CD2 3.91Å; L165-L192 HydrophobicContact CD2-CD2 3.61Å; L165-L192 HydrophobicContact CG-CD2 3.66Å; L184-L192 HydrophobicContact CD1-CD1 3.63Å; V188-L192 HydrophobicContact CG1-CD1 4.04Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.36Å; V188-L192 PolarHBondContact O-N 3.45Å; D189-L192 PolarHBondContact O-N 2.76Å; L192-L195 WeakPolarHBondContact O-CB 3.36Å; L192-L195 PolarHBondContact O-N 3.45Å; L192-C196 PolarHBondContact O-N 3.17Å; L192-C196 PolarHBondContact O-SG 2.75Å |
| 193 | Q | 92.8 | Very high | 89.1 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 177.7 | -70.2 | 176.8 | 16.6 | 0 | 0 | 111.7 | D189 L195 C196 Q197 | D189-Q193 WeakPolarHBondContact O-CB 3.49Å; D189-Q193 VanDerWaalsContact O-CG 3.28Å; D189-Q193 WeakPolarHBondContact O-CG 3.43Å; D189-Q193 PolarHBondContact O-N 2.92Å; D189-Q193 PolarHBondContact OD2-NE2 3.25Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 3Å; Q193-C196 WeakPolarHBondContact O-CB 3.47Å; Q193-C196 PolarHBondContact O-N 3.13Å; Q193-C196 VanDerWaalsContact O-N 3.16Å; Q193-Q197 WeakPolarHBondContact O-CG 3.46Å; Q193-Q197 PolarHBondContact O-N 3.48Å |
| 194 | S | 92.7 | Very high | 88.6 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 176.1 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | A190 K191 Q197 S198 | A190-S194 PolarHBondContact O-N 3.09Å; A190-S194 PolarHBondContact O-OG 3.39Å; K191-S194 PolarHBondContact O-OG 2.74Å; S194-Q197 PolarHBondContact O-N 3.36Å; S194-S198 PolarHBondContact O-N 3.04Å |
| 195 | L | 89.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.2 | -73.8 | 166.6 | 0 | 0 | 0 | 111.8 | L136 L165 K191 L192 Q193 Q197 S198 I199 | L136-L195 HydrophobicContact CD1-CD1 3.55Å; L136-L195 HydrophobicContact CD1-CD2 3.9Å; L136-L195 HydrophobicContact CD1-CG 4.38Å; L136-L195 HydrophobicContact CD2-CD1 3.84Å; L136-L195 HydrophobicContact CG-CD1 4.35Å; L165-L195 HydrophobicContact CD2-CB 4.31Å; K191-L195 HydrophobicContact CG-CD1 4.24Å; K191-L195 WeakPolarHBondContact O-CB 3.45Å; K191-L195 WeakPolarHBondContact O-CD1 3.3Å; K191-L195 WeakPolarHBondContact O-CG 3.12Å; K191-L195 PolarHBondContact O-N 2.94Å; K191-L195 VanDerWaalsContact O-N 3.08Å; L192-L195 WeakPolarHBondContact O-CB 3.36Å; L192-L195 PolarHBondContact O-N 3.45Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 3Å; L195-Q197 PolarHBondContact O-N 3.14Å; L195-S198 PolarHBondContact O-N 3.41Å; L195-S198 PolarHBondContact O-OG 3.46Å; L195-I199 VanDerWaalsContact O-CG1 3.25Å; L195-I199 WeakPolarHBondContact O-CG1 3.37Å; L195-I199 PolarHBondContact O-N 3.24Å |
| 196 | C | 89.6 | Confident | 86 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.8 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | R164 L192 Q193 S198 I199 A200 | R164-C196 PolarHBondContact O-SG 2.95Å; L192-C196 PolarHBondContact O-N 3.17Å; L192-C196 PolarHBondContact O-SG 2.75Å; Q193-C196 WeakPolarHBondContact O-CB 3.47Å; Q193-C196 PolarHBondContact O-N 3.13Å; Q193-C196 VanDerWaalsContact O-N 3.16Å; C196-S198 VanDerWaalsContact C-N 3.35Å; C196-S198 PolarHBondContact O-N 3.43Å; C196-I199 PolarHBondContact O-N 3.05Å; C196-A200 WeakPolarHBondContact O-CB 3.44Å; C196-A200 PolarHBondContact O-N 3.32Å |
| 197 | Q | 91.4 | Very high | 84 | Confident | 133 Ų | 133 | 73.7 Ų | 73.7 | 62% | 0.621 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 175.8 | -68.4 | 173.8 | 22.4 | 0 | 0 | 111.2 | Q193 S194 L195 I199 A200 A201 | Q193-Q197 WeakPolarHBondContact O-CG 3.46Å; Q193-Q197 PolarHBondContact O-N 3.48Å; S194-Q197 PolarHBondContact O-N 3.36Å; L195-Q197 PolarHBondContact O-N 3.14Å; Q197-I199 VanDerWaalsContact C-N 3.35Å; Q197-I199 PolarHBondContact O-N 3.05Å; Q197-A200 PolarHBondContact O-N 3.39Å; Q197-A201 WeakPolarHBondContact O-CB 3.36Å; Q197-A201 PolarHBondContact O-N 2.8Å |
| 198 | S | 89.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.3 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | S194 L195 C196 S202 | S194-S198 PolarHBondContact O-N 3.04Å; L195-S198 PolarHBondContact O-N 3.41Å; L195-S198 PolarHBondContact O-OG 3.46Å; C196-S198 VanDerWaalsContact C-N 3.35Å; C196-S198 PolarHBondContact O-N 3.43Å; S198-S202 VanDerWaalsContact O-CB 3.32Å; S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 3.41Å |
| 199 | I | 86 | Confident | 79.5 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 15% | 0.149 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 177.2 | -67.6 | 164.8 | 0 | 0 | 0 | 110.1 | P137 L195 C196 Q197 K203 | P137-I199 HydrophobicContact CG-CD1 4.14Å; L195-I199 VanDerWaalsContact O-CG1 3.25Å; L195-I199 WeakPolarHBondContact O-CG1 3.37Å; L195-I199 PolarHBondContact O-N 3.24Å; C196-I199 PolarHBondContact O-N 3.05Å; Q197-I199 VanDerWaalsContact C-N 3.35Å; Q197-I199 PolarHBondContact O-N 3.05Å; I199-K203 WeakPolarHBondContact O-CG 3.41Å; I199-K203 PolarHBondContact O-N 3.49Å; I199-K203 VanDerWaalsContact O-N 3.12Å |
| 200 | A | 87.2 | Confident | 77 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | C196 Q197 S202 K203 K204 | C196-A200 WeakPolarHBondContact O-CB 3.44Å; C196-A200 PolarHBondContact O-N 3.32Å; Q197-A200 PolarHBondContact O-N 3.39Å; A200-S202 VanDerWaalsContact C-N 3.34Å; A200-S202 PolarHBondContact O-N 3.03Å; A200-K203 PolarHBondContact O-N 2.93Å; A200-K204 PolarHBondContact O-N 3.07Å |
| 201 | A | 87.7 | Confident | 74.7 | Confident | 64 Ų | 64 | 90.2 Ų | 90.2 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q197 K203 K204 G205 | Q197-A201 WeakPolarHBondContact O-CB 3.36Å; Q197-A201 PolarHBondContact O-N 2.8Å; A201-K203 VanDerWaalsContact C-N 3.31Å; A201-K203 PolarHBondContact O-N 2.96Å; A201-K204 PolarHBondContact O-N 3.35Å; A201-K204 VanDerWaalsContact O-N 3.1Å; A201-G205 PolarHBondContact O-N 2.93Å; A201-G205 VanDerWaalsContact O-N 3.08Å |
| 202 | S | 82.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.3 | -25.2 | 179.7 | -170.7 | 0 | 0 | 0 | 0 | 113.8 | R138 S198 A200 | R138-S202 VanDerWaalsContact NH1-CB 3.31Å; R138-S202 PolarHBondContact NH1-OG 2.94Å; R138-S202 VanDerWaalsContact NH1-OG 3.12Å; R138-S202 PolarHBondContact NH2-OG 3.29Å; S198-S202 VanDerWaalsContact O-CB 3.32Å; S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 3.41Å; A200-S202 VanDerWaalsContact C-N 3.34Å; A200-S202 PolarHBondContact O-N 3.03Å |
| 203 | K | 78.8 | Confident | 70.3 | Confident | 160 Ų | 160 | 94 Ų | 94 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.6 | -35.6 | 168.6 | -77.4 | -179.4 | 177.2 | -177.7 | 0 | 112.3 | I199 A200 A201 | I199-K203 WeakPolarHBondContact O-CG 3.41Å; I199-K203 PolarHBondContact O-N 3.49Å; I199-K203 VanDerWaalsContact O-N 3.12Å; A200-K203 PolarHBondContact O-N 2.93Å; A201-K203 VanDerWaalsContact C-N 3.31Å; A201-K203 PolarHBondContact O-N 2.96Å |
| 204 | K | 71.5 | Confident | 67.9 | Low | 171 Ų | 171 | 95 Ų | 95 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73 | -32 | 178.9 | -70.7 | -175.7 | 178.1 | -176.7 | 0 | 112.8 | A200 A201 A206 K207 | A200-K204 PolarHBondContact O-N 3.07Å; A201-K204 PolarHBondContact O-N 3.35Å; A201-K204 VanDerWaalsContact O-N 3.1Å; K204-A206 PolarHBondContact O-N 3.35Å; K204-A206 VanDerWaalsContact O-N 3.17Å; K204-K207 PolarHBondContact O-N 2.85Å |
| 205 | G | 61.3 | Low | 65.6 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -8.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | A201 K207 | A201-G205 PolarHBondContact O-N 2.93Å; A201-G205 VanDerWaalsContact O-N 3.08Å; G205-K207 VanDerWaalsContact C-N 3.33Å |
| 206 | A | 57.5 | Low | 63.5 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -7.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | K204 | K204-A206 PolarHBondContact O-N 3.35Å; K204-A206 VanDerWaalsContact O-N 3.17Å |
| 207 | K | 50.5 | Low | 61.5 | Low | 181 Ų | 181 | 103.5 Ų | 103.5 | 79% | 0.787 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -113.7 | 95.1 | 169.5 | -73.1 | -175.5 | 177.6 | -178.7 | 0 | 108.4 | K204 G205 P209 | K204-K207 PolarHBondContact O-N 2.85Å; G205-K207 VanDerWaalsContact C-N 3.33Å; K207-P209 WeakPolarHBondContact O-CD 3.31Å |
| 208 | K | 44.5 | Very low | 59.7 | Low | 198 Ų | 198 | 102.5 Ų | 102.5 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | trans | -54.2 | 122.8 | 164.3 | -76 | -179.3 | 175.2 | 179.1 | 0 | 108.7 | ||||
| 209 | P | 45.2 | Very low | 57.8 | Low | 119 Ų | 119 | 105.7 Ų | 105.7 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -84.5 | 106 | 142.2 | 31.6 | -20.7 | 0 | 0 | 0 | 106.1 | K207 | K207-P209 WeakPolarHBondContact O-CD 3.31Š| ||
| 210 | A | 41.5 | Very low | 55.9 | Low | 85 Ų | 85 | 108.9 Ų | 108.9 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | -61.3 | 136.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 211 | S | 43.2 | Very low | 54.1 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 63.7 | 99.4 | 173.1 | 65.5 | 0 | 0 | 0 | 0 | 118.1 | ||
| 212 | A | 48.5 | Very low | 52.1 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 173.5 | 141.8 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 213 | A | 44.1 | Very low | 50.9 | Low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 81.5 | 50.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 214 | A | 43.8 | Very low | 49.4 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -95.6 | 76 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 215 | A | 44.5 | Very low | 47.6 | Very low | 89 Ų | 89 | 114.6 Ų | 114.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -161.9 | 141.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 216 | A | 44.7 | Very low | 46.9 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 86.1 | 64.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 217 | S | 47.9 | Very low | 46.3 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 148.6 | 131.2 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 218 | S | 52.5 | Low | 46.9 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 79.8 | 94.7 | 172.5 | 73.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 219 | S | 50.6 | Low | 46.8 | Very low | 124 Ų | 124 | 111 Ų | 111 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | 169 | 115.4 | 128.9 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 220 | A | 46.3 | Very low | 47.5 | Very low | 95 Ų | 95 | 111 Ų | 111 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -78 | 156.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 221 | P | 49.1 | Very low | 47.9 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | -152.4 | 172.3 | 55.8 | 38.8 | -15.5 | 0 | 0 | 0 | 117.8 | |||||
| 222 | T | 44.5 | Very low | 48.2 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | 0.2 | 129.7 | 152.6 | 60.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 223 | S | 58 | Low | 48.3 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 155.5 | 130.4 | 117 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 224 | N | 48.3 | Very low | 48.5 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 45.2 | 147.8 | 145.6 | -101.1 | 43.5 | 0 | 0 | 0 | 124.1 | ||||
| 225 | C | 34.3 | Very low | 48.8 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 75.5 | 138.3 | 150 | 90.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 226 | S | 46.4 | Very low | 48.8 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -164.1 | 151.2 | -6.6 | -83.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 227 | S | 44.5 | Very low | 48.6 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -53.6 | 156.7 | 173.1 | -44.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 228 | P | 61.9 | Low | 48.6 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -120.8 | 126.2 | 144.6 | 32.3 | -21 | 0 | 0 | 0 | 111.7 | ||||
| 229 | S | 44 | Very low | 48.2 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 144.7 | 160.3 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 230 | S | 58.9 | Low | 48 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -149.1 | 128.6 | 153.7 | -64.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 231 | D | 50.5 | Low | 47.9 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -65.9 | 155.9 | -176.5 | -47 | -82 | 0 | 0 | 0 | 112.3 | ||||
| 232 | D | 49.6 | Very low | 47.9 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | 169.2 | 154.9 | 113.1 | -140.1 | -76 | 0 | 0 | 0 | 112.5 | |||||
| 233 | A | 50.6 | Low | 48 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 79.6 | 79.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 234 | T | 48.2 | Very low | 47.9 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | 14.5 | 118.5 | 118.5 | 54.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 235 | S | 50.7 | Low | 48 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | -166.6 | 122.8 | 117.7 | 82.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 236 | S | 43.8 | Very low | 48.5 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -2.7 | 146.6 | 143.3 | 66.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 237 | C | 40.7 | Very low | 49.2 | Very low | 101 Ų | 101 | 126 Ų | 126 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | 170.4 | 150.3 | 52.1 | -140.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 238 | L | 48.5 | Very low | 49.3 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 84.7 | 101.6 | 150.3 | -43 | 171.5 | 0 | 0 | 0 | 120.5 | ||||
| 239 | E | 43.1 | Very low | 49 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -46.3 | 140.6 | 151.1 | -161.6 | 161.5 | 104.6 | 0 | 0 | 114.6 | ||||
| 240 | S | 47.4 | Very low | 49.3 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -160 | 102.8 | 157.4 | -67.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 241 | A | 42.6 | Very low | 49 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -83.2 | 132.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 242 | T | 50.2 | Low | 49.1 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -151 | 99.3 | 155.1 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 243 | E | 45.3 | Very low | 49 | Very low | 191 Ų | 191 | 122 Ų | 122 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | 43.3 | 100.9 | 132.2 | -56 | -174.6 | 120.7 | 0 | 0 | 118.3 | ||||
| 244 | S | 56.6 | Low | 49.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -112.2 | 112.1 | 157.9 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 245 | S | 51.1 | Low | 49.5 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 124.6 | 177.4 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 246 | C | 44.4 | Very low | 49.3 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -78.4 | 154.2 | 161.6 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 247 | P | 60.6 | Low | 49.7 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | -136.2 | 121.7 | 124.5 | 29.9 | -14.6 | 0 | 0 | 0 | 112.4 | |||||
| 248 | S | 47.1 | Very low | 50.2 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -70.5 | 156.7 | 150.8 | -55.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 249 | P | 55.9 | Low | 50.8 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -151.2 | 163 | 94.6 | 37.6 | -19.7 | 0 | 0 | 0 | 116.3 | |||||
| 250 | S | 49.4 | Very low | 51.4 | Low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 96.4 | 103.9 | 150.3 | -46.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 251 | P | 53.3 | Low | 51.9 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 141.1 | 159.6 | 35.5 | -26 | 0 | 0 | 0 | 111 | ||||
| 252 | S | 51.9 | Low | 52.5 | Low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -164 | 142.3 | 157.8 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 253 | A | 47.5 | Very low | 53 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 81.6 | 91.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 254 | S | 60.1 | Low | 53.5 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -64.6 | -174 | 147.8 | -32.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 255 | P | 50.5 | Low | 53.5 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | cis | -134.3 | 172.3 | -20 | 27.2 | -5.1 | 0 | 0 | 0 | 112.9 | ||||
| 256 | G | 45.8 | Very low | 53.8 | Low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 165.8 | 108.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 257 | P | 51.8 | Low | 54.4 | Low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -91.4 | 112.6 | 171.6 | 33 | -24.2 | 0 | 0 | 0 | 109 | ||||
| 258 | T | 52.4 | Low | 54.3 | Low | 143 Ų | 143 | 130.5 Ų | 130.5 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -123 | 105.4 | 162.7 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 259 | V | 60.9 | Low | 54.6 | Low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -52.7 | 161.4 | 167.1 | -86.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 260 | P | 54.7 | Low | 54.7 | Low | 95 Ų | 95 | 129 Ų | 129 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | trans | -86.8 | 120.6 | -143 | 31 | -33.3 | 0 | 0 | 0 | 116 | M262 | P260-M262 PolarHBondContact O-N 3.06Å; P260-M262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | E | 57.5 | Low | 55.1 | Low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 42 | 173.5 | -162.4 | -176.7 | 156.9 | 0 | 0 | 112.9 | ||
| 262 | M | 56.3 | Low | 55.4 | Low | 164 Ų | 164 | 132.3 Ų | 132.3 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 4 | 171.7 | -81 | 173.9 | 39.9 | 0 | 0 | 113 | P260 | P260-M262 PolarHBondContact O-N 3.06Å; P260-M262 VanDerWaalsContact O-N 3.15Å |
| 263 | Q | 59.8 | Low | 55.3 | Low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -97.9 | 11.8 | 176.5 | -74 | -176 | -17.4 | 0 | 0 | 114.1 | ||
| 264 | Q | 56 | Low | 55.7 | Low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -120.2 | 23.5 | 175.7 | -93.7 | 174.3 | -37 | 0 | 0 | 113.7 | D266 | Q264-D266 VanDerWaalsContact C-N 3.29Å; Q264-D266 PolarHBondContact O-N 3.01Å | ||
| 265 | L | 56.7 | Low | 55.6 | Low | 125 Ų | 125 | 136.2 Ų | 136.2 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | trans | -76 | 93.1 | 158.9 | -67.2 | 178.7 | 0 | 0 | 0 | 107.6 | F267 | L265-F267 VanDerWaalsContact C-N 3.29Å; L265-F267 HydrophobicContact CB-CD2 4.2Å; L265-F267 HydrophobicContact CB-CE2 3.9Å; L265-F267 VanDerWaalsContact O-CD2 3.28Å; L265-F267 WeakPolarHBondContact O-CD2 3.31Å; L265-F267 PolarHBondContact O-N 3.02Å | ||
| 266 | D | 57.5 | Low | 55.8 | Low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -66.4 | 92.3 | 168.3 | -152.5 | 0.8 | 0 | 0 | 0 | 107.1 | Q264 S268 | Q264-D266 VanDerWaalsContact C-N 3.29Å; Q264-D266 PolarHBondContact O-N 3.01Å; D266-S268 PolarHBondContact O-N 3.35Å | ||
| 267 | F | 57.3 | Low | 56.1 | Low | 168 Ų | 168 | 134.1 Ų | 134.1 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | trans | -70.4 | 58.9 | 169.5 | -75.6 | -91.9 | 0 | 0 | 0 | 109.2 | L265 E269 | L265-F267 VanDerWaalsContact C-N 3.29Å; L265-F267 HydrophobicContact CB-CD2 4.2Å; L265-F267 HydrophobicContact CB-CE2 3.9Å; L265-F267 VanDerWaalsContact O-CD2 3.28Å; L265-F267 WeakPolarHBondContact O-CD2 3.31Å; L265-F267 PolarHBondContact O-N 3.02Å; F267-E269 PolarHBondContact O-N 3.33Å | ||
| 268 | S | 58.9 | Low | 56.1 | Low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -69 | 68.2 | 156.8 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | D266 A270 | D266-S268 PolarHBondContact O-N 3.35Å; S268-A270 PolarHBondContact O-N 3.48Å; S268-A270 VanDerWaalsContact O-N 3.13Å | ||
| 269 | E | 53.6 | Low | 56.4 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 58% | 0.575 | 75% | 0.746 | S | S | * | * | trans | -53.6 | 113.6 | 171 | -172.3 | 137.7 | -164.2 | 0 | 0 | 106.5 | F267 W272 | F267-E269 PolarHBondContact O-N 3.33Å; E269-W272 PolarHBondContact OE1-NE1 3.02Å | ||
| 270 | A | 58.2 | Low | 56.3 | Low | 69 Ų | 69 | 136.8 Ų | 136.8 | 57% | 0.57 | 75% | 0.751 | S | S | * | * | trans | -45.6 | 133.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | S268 W272 | S268-A270 PolarHBondContact O-N 3.48Å; S268-A270 VanDerWaalsContact O-N 3.13Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 2.98Å | ||
| 271 | P | 55.8 | Low | 56.8 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -56.9 | 101.5 | 172.6 | -19.3 | 30.3 | 0 | 0 | 0 | 106.9 | D273 | P271-D273 PolarHBondContact O-N 3.49Š| ||
| 272 | W | 59.5 | Low | 57.4 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -63.3 | 98.8 | 162 | -54.1 | 72.2 | 0 | 0 | 0 | 102.1 | E269 A270 E274 | E269-W272 PolarHBondContact OE1-NE1 3.02Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 2.98Å; W272-E274 HydrophobicContact CB-CG 4.42Å; W272-E274 PolarHBondContact O-N 3.44Å | ||
| 273 | D | 50.6 | Low | 57.9 | Low | 138 Ų | 138 | 138.7 Ų | 138.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -63.5 | 83 | 174.5 | -123.9 | -20.8 | 0 | 0 | 0 | 106.1 | P271 A275 | P271-D273 PolarHBondContact O-N 3.49Å; D273-A275 PolarHBondContact O-N 2.94Å | ||
| 274 | E | 56.8 | Low | 58.5 | Low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 9.1 | -176.6 | -81.7 | -168.1 | 147.3 | 0 | 0 | 112.7 | W272 | W272-E274 HydrophobicContact CB-CG 4.42Å; W272-E274 PolarHBondContact O-N 3.44Å |
| 275 | A | 56.5 | Low | 59.3 | Low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -0.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D273 | D273-A275 PolarHBondContact O-N 2.94Š|
| 276 | A | 55.4 | Low | 60 | Low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -121.2 | 4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 277 | G | 52.1 | Low | 60.7 | Low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -115.6 | -4.6 | -159.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 278 | F | 51.7 | Low | 61.6 | Low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -106.2 | 2.8 | -172.3 | -68.4 | -74.7 | 0 | 0 | 0 | 115.9 | L280 | F278-L280 PolarHBondContact O-N 2.9Å; F278-L280 VanDerWaalsContact O-N 3.09Å | ||
| 279 | A | 59.4 | Low | 62.5 | Low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | trans | -74.4 | 101.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | T281 | A279-T281 PolarHBondContact O-N 3.31Š| ||
| 280 | L | 59.1 | Low | 63.8 | Low | 174 Ų | 174 | 135.5 Ų | 135.5 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | trans | -56.1 | 91.1 | 160.6 | -86.3 | 161.2 | 0 | 0 | 0 | 107.1 | F278 K282 | F278-L280 PolarHBondContact O-N 2.9Å; F278-L280 VanDerWaalsContact O-N 3.09Å; L280-K282 PolarHBondContact O-N 3.34Å | ||
| 281 | T | 65 | Low | 64.7 | Low | 88 Ų | 88 | 138.2 Ų | 138.2 | 54% | 0.54 | 73% | 0.73 | S | S | . | * | trans | -57 | 111.2 | 167.6 | 42.9 | 0 | 0 | 0 | 0 | 105.7 | A279 Y283 | A279-T281 PolarHBondContact O-N 3.31Å; T281-Y283 VanDerWaalsContact O-CD2 3.3Å; T281-Y283 WeakPolarHBondContact O-CD2 3.47Å; T281-Y283 PolarHBondContact O-N 2.91Å; T281-Y283 WeakPolarHBondContact OG1-CE2 3.49Å | ||
| 282 | K | 70 | Confident | 65.7 | Low | 205 Ų | 205 | 136.5 Ų | 136.5 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | trans | -66 | 83.3 | 173.6 | -165.9 | -175.1 | -172.4 | -170.9 | 0 | 106.5 | L280 | L280-K282 PolarHBondContact O-N 3.34Š| ||
| 283 | Y | 66.6 | Low | 66.4 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -56.7 | 127.7 | 170.9 | -78 | -82 | 0 | 0 | 0 | 106.6 | T281 S285 | T281-Y283 VanDerWaalsContact O-CD2 3.3Å; T281-Y283 WeakPolarHBondContact O-CD2 3.47Å; T281-Y283 PolarHBondContact O-N 2.91Å; T281-Y283 WeakPolarHBondContact OG1-CE2 3.49Å; Y283-S285 PolarHBondContact O-N 3.21Å; Y283-S285 VanDerWaalsContact O-N 3.07Å | ||
| 284 | P | 72.8 | Confident | 67.6 | Low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | -54.6 | 122.7 | 167.1 | -4.2 | 13 | 0 | 0 | 0 | 105.9 | Y286 | P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 PolarHBondContact O-N 3.19Å | ||
| 285 | S | 71.6 | Confident | 68.4 | Low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -58.4 | 97.3 | 171.5 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | Y283 E287 | Y283-S285 PolarHBondContact O-N 3.21Å; Y283-S285 VanDerWaalsContact O-N 3.07Å; S285-E287 VanDerWaalsContact C-N 3.34Å; S285-E287 PolarHBondContact O-N 3.15Å | ||
| 286 | Y | 70.8 | Confident | 68.7 | Low | 206 Ų | 206 | 135.4 Ų | 135.4 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | -61.2 | 108.7 | 159.5 | -88.8 | -87.4 | 0 | 0 | 0 | 104.5 | P284 I288 | P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 PolarHBondContact O-N 3.19Å; Y286-I288 PolarHBondContact O-N 2.93Å | ||
| 287 | E | 73.3 | Confident | 69.3 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | -50.1 | 119.2 | 170.7 | -68.9 | 177.1 | 173.8 | 0 | 0 | 106.5 | S285 D289 | S285-E287 VanDerWaalsContact C-N 3.34Å; S285-E287 PolarHBondContact O-N 3.15Å; E287-D289 PolarHBondContact O-N 2.88Å | ||
| 288 | I | 75.9 | Confident | 70.2 | Confident | 105 Ų | 105 | 141.4 Ų | 141.4 | 54% | 0.538 | 73% | 0.734 | S | S | . | * | trans | -61.8 | 106.7 | 174.6 | -62.9 | 163.9 | 0 | 0 | 0 | 104.9 | Y286 W290 L293 | Y286-I288 PolarHBondContact O-N 2.93Å; I288-W290 VanDerWaalsContact C-N 3.25Å; I288-W290 HydrophobicContact CB-CZ2 4.24Å; I288-W290 HydrophobicContact CD1-CH2 4.47Å; I288-W290 HydrophobicContact CD1-CZ2 3.97Å; I288-W290 HydrophobicContact CG2-CD2 3.71Å; I288-W290 HydrophobicContact CG2-CE3 4.02Å; I288-W290 HydrophobicContact CG2-CG 4.2Å; I288-W290 HydrophobicContact CG2-CH2 4.13Å; I288-W290 HydrophobicContact CG2-CZ2 3.83Å; I288-W290 HydrophobicContact CG2-CZ3 4.21Å; I288-W290 PolarHBondContact O-N 3.25Å; I288-L293 HydrophobicContact CG2-CD1 4.34Å | ||
| 289 | D | 77.9 | Confident | 71.3 | Confident | 88 Ų | 88 | 138.2 Ų | 138.2 | 47% | 0.471 | 73% | 0.726 | S | S | . | * | trans | -70.1 | 89.4 | 171.5 | -179.2 | 13.5 | 0 | 0 | 0 | 108.1 | E287 D291 S292 | E287-D289 PolarHBondContact O-N 2.88Å; D289-D291 PolarHBondContact O-N 3.1Å; D289-D291 WeakPolarHBondContact OD1-CB 3.44Å; D289-D291 PolarHBondContact OD1-N 3.22Å; D289-S292 PolarHBondContact O-N 3.2Å; D289-S292 WeakPolarHBondContact OD2-CB 3.49Å; D289-S292 PolarHBondContact OD2-OG 2.63Å | ||
| 290 | W | 82 | Confident | 72 | Confident | 171 Ų | 171 | 141.4 Ų | 141.4 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -63.5 | -23.1 | 178.7 | -65.7 | 104.6 | 0 | 0 | 0 | 112 | I288 L293 | I288-W290 VanDerWaalsContact C-N 3.25Å; I288-W290 HydrophobicContact CB-CZ2 4.24Å; I288-W290 HydrophobicContact CD1-CH2 4.47Å; I288-W290 HydrophobicContact CD1-CZ2 3.97Å; I288-W290 HydrophobicContact CG2-CD2 3.71Å; I288-W290 HydrophobicContact CG2-CE3 4.02Å; I288-W290 HydrophobicContact CG2-CG 4.2Å; I288-W290 HydrophobicContact CG2-CH2 4.13Å; I288-W290 HydrophobicContact CG2-CZ2 3.83Å; I288-W290 HydrophobicContact CG2-CZ3 4.21Å; I288-W290 PolarHBondContact O-N 3.25Å; W290-L293 HydrophobicContact CE3-CD1 3.74Å; W290-L293 HydrophobicContact CZ3-CD1 3.97Å; W290-L293 PolarHBondContact O-N 3.2Å |
| 291 | D | 77.1 | Confident | 72.8 | Confident | 125 Ų | 125 | 139.3 Ų | 139.3 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -72.2 | -34.2 | 179.8 | -71.9 | -21.5 | 0 | 0 | 0 | 111.3 | D289 L293 L294 | D289-D291 PolarHBondContact O-N 3.1Å; D289-D291 WeakPolarHBondContact OD1-CB 3.44Å; D289-D291 PolarHBondContact OD1-N 3.22Å; D291-L293 PolarHBondContact O-N 2.66Å; D291-L294 PolarHBondContact O-N 2.95Å |
| 292 | S | 75.2 | Confident | 73.3 | Confident | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -64.9 | -19.5 | 172.1 | -74.6 | 0 | 0 | 0 | 0 | 113.7 | D289 | D289-S292 PolarHBondContact O-N 3.2Å; D289-S292 WeakPolarHBondContact OD2-CB 3.49Å; D289-S292 PolarHBondContact OD2-OG 2.63Å |
| 293 | L | 74.4 | Confident | 73.5 | Confident | 123 Ų | 123 | 138.3 Ų | 138.3 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -86.8 | -13.8 | 177.1 | -68.9 | 171.8 | 0 | 0 | 0 | 113.6 | I288 W290 D291 | I288-L293 HydrophobicContact CG2-CD1 4.34Å; W290-L293 HydrophobicContact CE3-CD1 3.74Å; W290-L293 HydrophobicContact CZ3-CD1 3.97Å; W290-L293 PolarHBondContact O-N 3.2Å; D291-L293 PolarHBondContact O-N 2.66Å |
| 294 | L | 76.3 | Confident | 74 | Confident | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -4.3 | -177.9 | -73.4 | 161.5 | 0 | 0 | 0 | 113.4 | D291 | D291-L294 PolarHBondContact O-N 2.95Š|
| 295 | A | 74.4 | Confident | 74.1 | Confident | 81 Ų | 81 | 137.1 Ų | 137.1 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | -96.3 | 11.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 296 | N | 61.1 | Low | 74.4 | Confident | 232 Ų | 232 | 139.6 Ų | 139.6 | 100% | 1.241 | 71% | 0.714 | S | S | * | * | trans | -113.6 | 0 | 174.9 | -87.3 | -9.7 | 0 | 0 | 0 | 112.9 |
Retrieved 296 of 296 residues in 39.3 ms
(Link to these results)