| 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 | 39.9 | Very low | 40.6 | Very low | 230 Ų | 230 | 161.5 Ų | 161.5 | 100% | 1.133 | 82% | 0.815 | S | S | * | * | 0 | 85.5 | 0 | -64.9 | -177 | 172.4 | 0 | 0 | 106.3 | |||||
| 2 | N | 35.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 160.3 Ų | 160.3 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | 77.3 | 124.6 | 91.6 | -72.3 | 7.1 | 0 | 0 | 0 | 110.4 | |||||
| 3 | L | 37.3 | Very low | 41.6 | Very low | 141 Ų | 141 | 156 Ų | 156 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | cis | -166.1 | 170.2 | 6.2 | -95.9 | 154.8 | 0 | 0 | 0 | 104.9 | ||||
| 4 | F | 44.4 | Very low | 42.4 | Very low | 198 Ų | 198 | 149 Ų | 149 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | 98.3 | 79.7 | 174.8 | -56.9 | -74 | 0 | 0 | 0 | 118.6 | ||||
| 5 | K | 44.4 | Very low | 42.9 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | -85.8 | 148.2 | 128.1 | -82.6 | 179.7 | 179.7 | 178.7 | 0 | 107.3 | |||||
| 6 | P | 41.2 | Very low | 43.2 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | -149.4 | 138 | 97.8 | 31.2 | -9.7 | 0 | 0 | 0 | 114.7 | |||||
| 7 | L | 37.3 | Very low | 43.4 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | 76.7 | 101.3 | 106.7 | -64.3 | 166.3 | 0 | 0 | 0 | 115.2 | |||||
| 8 | I | 34.6 | Very low | 43.8 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 80% | 0.795 | 74% | 0.743 | S | S | * | * | trans | -65.6 | 120 | 160.5 | -64.5 | 163.6 | 0 | 0 | 0 | 108 | K10 | I8-K10 HydrophobicContact CG2-CG 4.44Š| ||
| 9 | I | 41.8 | Very low | 44.1 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | -126.4 | 109.8 | 160.3 | -58.1 | 174.7 | 0 | 0 | 0 | 105.9 | P11 | I9-P11 WeakPolarHBondContact O-CD 3.48Š| ||
| 10 | K | 43.4 | Very low | 44.4 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | -74.7 | 123.4 | 172.5 | -73 | 179.2 | 175.1 | 177 | 0 | 108.7 | I8 | I8-K10 HydrophobicContact CG2-CG 4.44Š| ||
| 11 | P | 46.8 | Very low | 44.7 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | -95.1 | 129.7 | 163.7 | 26.8 | -13 | 0 | 0 | 0 | 110 | I9 S13 | I9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-S13 PolarHBondContact O-N 3.44Å | ||
| 12 | N | 48 | Very low | 45.2 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | trans | -42 | 114.3 | 178.9 | -69.5 | -34.8 | 0 | 0 | 0 | 113.7 | G14 | N12-G14 PolarHBondContact O-N 3.45Š| ||
| 13 | S | 46.3 | Very low | 45.8 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 14 | -177.6 | 49.3 | 0 | 0 | 0 | 0 | 115.4 | P11 | P11-S13 PolarHBondContact O-N 3.44Š|
| 14 | G | 53.3 | Low | 46.4 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 60% | 0.598 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -35.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N12 | N12-G14 PolarHBondContact O-N 3.45Š|
| 15 | L | 50 | Low | 46.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -91 | -33.8 | -169.4 | -83.6 | 159.7 | 0 | 0 | 0 | 113.7 | N17 S18 L19 | L15-N17 PolarHBondContact O-N 2.92Å; L15-S18 PolarHBondContact O-N 3.13Å; L15-S18 PolarHBondContact O-OG 3.03Å; L15-L19 PolarHBondContact O-N 3.49Å |
| 16 | I | 47.2 | Very low | 46.9 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 62% | 0.621 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.6 | -33.8 | -175.8 | -63.7 | 167.3 | 0 | 0 | 0 | 111.5 | C20 | I16-C20 WeakPolarHBondContact O-CB 3.07Å; I16-C20 PolarHBondContact O-N 2.87Å; I16-C20 VanDerWaalsContact O-N 3.13Å |
| 17 | N | 47.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.5 | -26.8 | 175.9 | -72.5 | -20.3 | 0 | 0 | 0 | 113 | L15 N21 | L15-N17 PolarHBondContact O-N 2.92Å; N17-N21 PolarHBondContact O-N 3.32Å |
| 18 | S | 50.5 | Low | 48.9 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 43% | 0.434 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -75.9 | -34.1 | 176.2 | 85.4 | 0 | 0 | 0 | 0 | 112.7 | L15 K22 | L15-S18 PolarHBondContact O-N 3.13Å; L15-S18 PolarHBondContact O-OG 3.03Å; S18-K22 PolarHBondContact O-N 2.85Å |
| 19 | L | 49.5 | Very low | 50.3 | Low | 102 Ų | 102 | 122 Ų | 122 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -76.8 | -35.8 | 178 | -73.5 | 166 | 0 | 0 | 0 | 111.8 | L15 N21 K22 M23 | L15-L19 PolarHBondContact O-N 3.49Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.84Å; L19-K22 PolarHBondContact O-N 2.81Å; L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.41Å |
| 20 | C | 49 | Very low | 51.7 | Low | 78 Ų | 78 | 120.7 Ų | 120.7 | 53% | 0.527 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.9 | -30.8 | 178.3 | -147.6 | 0 | 0 | 0 | 0 | 112.8 | I16 | I16-C20 WeakPolarHBondContact O-CB 3.07Å; I16-C20 PolarHBondContact O-N 2.87Å; I16-C20 VanDerWaalsContact O-N 3.13Å |
| 21 | N | 50.2 | Low | 52.7 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.1 | -28.7 | 171.6 | -81.6 | -16.9 | 0 | 0 | 0 | 113.3 | N17 L19 | N17-N21 PolarHBondContact O-N 3.32Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.84Å |
| 22 | K | 51.5 | Low | 53.9 | Low | 155 Ų | 155 | 119.6 Ų | 119.6 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.3 | -29.7 | 173.9 | -98.9 | 176.9 | 175.4 | 179.1 | 0 | 113.3 | S18 L19 | S18-K22 PolarHBondContact O-N 2.85Å; L19-K22 PolarHBondContact O-N 2.81Å |
| 23 | M | 47.8 | Very low | 55.3 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 69% | 0.69 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.1 | -20.8 | 179.8 | -69.9 | -166.3 | 77.7 | 0 | 0 | 114.5 | L19 L25 | L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.41Å; M23-L25 PolarHBondContact O-N 2.84Å |
| 24 | R | 49.1 | Very low | 56.4 | Low | 196 Ų | 196 | 115.5 Ų | 115.5 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -10 | 173.9 | -89.3 | -174 | -174.2 | 179.6 | 3.4 | 114.6 | ||
| 25 | L | 49.9 | Very low | 57.4 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -4.2 | 179.8 | -67.4 | 171.2 | 0 | 0 | 0 | 113.6 | M23 | M23-L25 PolarHBondContact O-N 2.84Š|
| 26 | L | 51.4 | Low | 58.4 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -94.4 | -2.8 | -172.7 | -66.9 | 172.6 | 0 | 0 | 0 | 114.7 | ||
| 27 | S | 59.5 | Low | 58.8 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -111.4 | 0.3 | -179.2 | 60.7 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | I | 59.9 | Low | 59.8 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -102.5 | 117.2 | 177.1 | -54 | 166.2 | 0 | 0 | 0 | 106.3 | ||
| 29 | P | 63.2 | Low | 60.4 | Low | 103 Ų | 103 | 129.5 Ų | 129.5 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143.7 | 173.2 | 24.9 | -33.1 | 0 | 0 | 0 | 109.1 | L31 | P29-L31 PolarHBondContact O-N 3.36Š|
| 30 | P | 72 | Confident | 60.6 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 135.7 | -179 | 23.3 | -33.4 | 0 | 0 | 0 | 109.8 | I32 | P30-I32 PolarHBondContact O-N 3.34Å; P30-I32 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 65.4 | Low | 61.1 | Low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.4 | 176.6 | -161.7 | 78.6 | 0 | 0 | 0 | 107.6 | P29 P33 | P29-L31 PolarHBondContact O-N 3.36Å; L31-P33 WeakPolarHBondContact O-CD 3.23Å; L31-P33 VanDerWaalsContact O-N 3.15Å |
| 32 | I | 72 | Confident | 61.1 | Low | 104 Ų | 104 | 138.4 Ų | 138.4 | 53% | 0.533 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 121.9 | 178.1 | -61.4 | 166.6 | 0 | 0 | 0 | 107.2 | P30 S34 I36 L37 | P30-I32 PolarHBondContact O-N 3.34Å; P30-I32 VanDerWaalsContact O-N 3.13Å; I32-S34 PolarHBondContact O-N 3.47Å; I32-I36 HydrophobicContact CG2-CB 4.06Å; I32-I36 HydrophobicContact CG2-CG2 4.24Å; I32-L37 HydrophobicContact CG2-CD2 4.12Å; I32-L37 HydrophobicContact CG2-CG 4.31Å |
| 33 | P | 75.8 | Confident | 61.1 | Low | 68 Ų | 68 | 136 Ų | 136 | 44% | 0.442 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 134.2 | 177.7 | -24.8 | 30.7 | 0 | 0 | 0 | 110.3 | L31 E35 I36 | L31-P33 WeakPolarHBondContact O-CD 3.23Å; L31-P33 VanDerWaalsContact O-N 3.15Å; P33-E35 PolarHBondContact O-N 3.03Å; P33-I36 HydrophobicContact CB-CD1 4.39Å; P33-I36 HydrophobicContact CB-CG1 4.27Å; P33-I36 HydrophobicContact CG-CD1 4.01Å; P33-I36 HydrophobicContact CG-CG1 4.43Å; P33-I36 PolarHBondContact O-N 2.82Å |
| 34 | S | 70.5 | Confident | 60.8 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -21.4 | 177.8 | 44 | 0 | 0 | 0 | 0 | 112.9 | I32 I36 L37 | I32-S34 PolarHBondContact O-N 3.47Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-L37 PolarHBondContact O-N 3Å |
| 35 | E | 73.9 | Confident | 60.4 | Low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -25.6 | 175.3 | -64.2 | 166.5 | -170.4 | 0 | 0 | 113.3 | P33 | P33-E35 PolarHBondContact O-N 3.03Š|
| 36 | I | 71.7 | Confident | 60.1 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -23.8 | 177 | -58.4 | -179 | 0 | 0 | 0 | 111 | I32 P33 S34 Y38 | I32-I36 HydrophobicContact CG2-CB 4.06Å; I32-I36 HydrophobicContact CG2-CG2 4.24Å; P33-I36 HydrophobicContact CB-CD1 4.39Å; P33-I36 HydrophobicContact CB-CG1 4.27Å; P33-I36 HydrophobicContact CG-CD1 4.01Å; P33-I36 HydrophobicContact CG-CG1 4.43Å; P33-I36 PolarHBondContact O-N 2.82Å; S34-I36 VanDerWaalsContact C-N 3.32Å; I36-Y38 PolarHBondContact O-N 3.26Å; I36-Y38 VanDerWaalsContact O-N 3.09Å |
| 37 | L | 55.7 | Low | 59.4 | Low | 103 Ų | 103 | 132.1 Ų | 132.1 | 54% | 0.539 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -73.8 | 103.2 | 175.6 | -62.8 | 177.5 | 0 | 0 | 0 | 109 | I32 S34 Q39 | I32-L37 HydrophobicContact CG2-CD2 4.12Å; I32-L37 HydrophobicContact CG2-CG 4.31Å; S34-L37 PolarHBondContact O-N 3Å; L37-Q39 PolarHBondContact O-N 2.88Å |
| 38 | Y | 67.2 | Low | 58.7 | Low | 196 Ų | 196 | 130.7 Ų | 130.7 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -48.5 | 116.1 | 164.3 | 164.5 | -102 | 0 | 0 | 0 | 108.7 | I36 R40 | I36-Y38 PolarHBondContact O-N 3.26Å; I36-Y38 VanDerWaalsContact O-N 3.09Å; Y38-R40 VanDerWaalsContact C-N 3.27Å; Y38-R40 HydrophobicContact CD1-CB 4.08Å; Y38-R40 HydrophobicContact CE1-CB 3.82Å; Y38-R40 HydrophobicContact CE1-CG 4.27Å; Y38-R40 PolarHBondContact O-N 3.35Å | ||
| 39 | Q | 63.1 | Low | 58.1 | Low | 166 Ų | 166 | 129.7 Ų | 129.7 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -65.3 | 92.4 | 173.6 | -75 | -179.1 | -17.4 | 0 | 0 | 107.9 | L37 E41 | L37-Q39 PolarHBondContact O-N 2.88Å; Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.22Å | ||
| 40 | R | 53.6 | Low | 57.5 | Low | 194 Ų | 194 | 128 Ų | 128 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | trans | -68.3 | 99.8 | 167.8 | -174.6 | 176.8 | 171.8 | 122.2 | -0.1 | 106.8 | Y38 I42 | Y38-R40 VanDerWaalsContact C-N 3.27Å; Y38-R40 HydrophobicContact CD1-CB 4.08Å; Y38-R40 HydrophobicContact CE1-CB 3.82Å; Y38-R40 HydrophobicContact CE1-CG 4.27Å; Y38-R40 PolarHBondContact O-N 3.35Å; R40-I42 VanDerWaalsContact C-N 3.28Å; R40-I42 HydrophobicContact CG-CG1 4.24Å; R40-I42 PolarHBondContact O-N 2.99Å | ||
| 41 | E | 59.5 | Low | 56.4 | Low | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -60.3 | 97 | 164.6 | -68.9 | -168.6 | 170.8 | 0 | 0 | 107.8 | Q39 T43 | Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.22Å; E41-T43 PolarHBondContact O-N 2.85Å | ||
| 42 | I | 49.7 | Very low | 55.6 | Low | 134 Ų | 134 | 126.2 Ų | 126.2 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | trans | -76.8 | 81.2 | 166.1 | -54.8 | 174 | 0 | 0 | 0 | 105.1 | R40 P44 | R40-I42 VanDerWaalsContact C-N 3.28Å; R40-I42 HydrophobicContact CG-CG1 4.24Å; R40-I42 PolarHBondContact O-N 2.99Å; I42-P44 WeakPolarHBondContact O-CD 3.11Å; I42-P44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | T | 51.7 | Low | 55 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | trans | -62 | 112.4 | 161 | 54.3 | 0 | 0 | 0 | 0 | 105.8 | E41 A45 | E41-T43 PolarHBondContact O-N 2.85Å; T43-A45 PolarHBondContact O-N 3.32Å; T43-A45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | P | 41.6 | Very low | 54.5 | Low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.8 | 175.4 | 25.9 | -32.6 | 0 | 0 | 0 | 106.6 | I42 K46 | I42-P44 WeakPolarHBondContact O-CD 3.11Å; I42-P44 VanDerWaalsContact O-N 3.11Å; P44-K46 PolarHBondContact O-N 2.84Å |
| 45 | A | 41.8 | Very low | 53.9 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 123.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | T43 T47 | T43-A45 PolarHBondContact O-N 3.32Å; T43-A45 VanDerWaalsContact O-N 3.11Å; A45-T47 PolarHBondContact O-N 3.39Å |
| 46 | K | 42.4 | Very low | 53.1 | Low | 198 Ų | 198 | 119.4 Ų | 119.4 | 86% | 0.861 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 116.3 | 177.8 | -174 | 175.7 | -176.9 | 176.2 | 0 | 106.5 | P44 P48 | P44-K46 PolarHBondContact O-N 2.84Å; K46-P48 VanDerWaalsContact O-CD 3.28Å; K46-P48 WeakPolarHBondContact O-CD 3.22Å |
| 47 | T | 37.3 | Very low | 52.5 | Low | 125 Ų | 125 | 118 Ų | 118 | 77% | 0.767 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120.4 | 174.1 | 40.4 | 0 | 0 | 0 | 0 | 105.8 | A45 A49 | A45-T47 PolarHBondContact O-N 3.39Å; T47-A49 PolarHBondContact O-N 3.48Å |
| 48 | P | 45.7 | Very low | 52.9 | Low | 71 Ų | 71 | 119.2 Ų | 119.2 | 46% | 0.461 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 150.2 | -179.3 | -18 | 28.2 | 0 | 0 | 0 | 107.4 | K46 H50 | K46-P48 VanDerWaalsContact O-CD 3.28Å; K46-P48 WeakPolarHBondContact O-CD 3.22Å; P48-H50 VanDerWaalsContact CB-CE1 3.45Å; P48-H50 WeakPolarHBondContact CB-CE1 3.19Å; P48-H50 VanDerWaalsContact CB-NE2 3.26Å; P48-H50 WeakPolarHBondContact CB-NE2 3.49Å; P48-H50 VanDerWaalsContact CD-NE2 3.29Å; P48-H50 WeakPolarHBondContact CD-NE2 3.25Å; P48-H50 WeakPolarHBondContact CG-NE2 3.1Å; P48-H50 PolarHBondContact O-CD2 3.09Å; P48-H50 VanDerWaalsContact O-CD2 3.23Å; P48-H50 PolarHBondContact O-N 3.08Å |
| 49 | A | 46.4 | Very low | 52.6 | Low | 100 Ų | 100 | 113 Ų | 113 | 83% | 0.826 | 60% | 0.599 | S | S | * | * | trans | -66.2 | 66.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T47 H51 | T47-A49 PolarHBondContact O-N 3.48Å; A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | H | 49.7 | Very low | 52.4 | Low | 67 Ų | 67 | 106.9 Ų | 106.9 | 31% | 0.31 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 98.3 | -179.4 | -66.5 | -61.2 | 0 | 0 | 0 | 105.3 | P48 S126 | P48-H50 VanDerWaalsContact CB-CE1 3.45Å; P48-H50 WeakPolarHBondContact CB-CE1 3.19Å; P48-H50 VanDerWaalsContact CB-NE2 3.26Å; P48-H50 WeakPolarHBondContact CB-NE2 3.49Å; P48-H50 VanDerWaalsContact CD-NE2 3.29Å; P48-H50 WeakPolarHBondContact CD-NE2 3.25Å; P48-H50 WeakPolarHBondContact CG-NE2 3.1Å; P48-H50 PolarHBondContact O-CD2 3.09Å; P48-H50 VanDerWaalsContact O-CD2 3.23Å; P48-H50 PolarHBondContact O-N 3.08Å; H50-S126 PolarHBondContact CE1-O 3.17Å; H50-S126 PolarHBondContact ND1-O 3.02Å |
| 51 | H | 49 | Very low | 52.7 | Low | 134 Ų | 134 | 104.1 Ų | 104.1 | 62% | 0.62 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.6 | -15.4 | 141 | -69.7 | -31.5 | 0 | 0 | 0 | 111.2 | A49 | A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.09Å |
| 52 | N | 50.4 | Low | 52.8 | Low | 119 Ų | 119 | 102 Ų | 102 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | trans | -124 | 63.9 | -179.9 | -65.4 | 10.4 | 0 | 0 | 0 | 111.7 | P54 E57 | N52-P54 VanDerWaalsContact O-CD 3.23Å; N52-P54 WeakPolarHBondContact O-CD 3.32Å; N52-E57 PolarHBondContact OD1-OE1 2.8Å | ||
| 53 | N | 58.4 | Low | 53.1 | Low | 72 Ų | 72 | 100.3 Ų | 100.3 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | trans | -79 | 110 | 157.2 | -175.4 | -11.1 | 0 | 0 | 0 | 105.8 | E55 I56 E57 | N53-E55 PolarHBondContact O-N 2.9Å; N53-E55 VanDerWaalsContact O-N 3.13Å; N53-E55 WeakPolarHBondContact OD1-CB 3.47Å; N53-E55 PolarHBondContact OD1-N 3.01Å; N53-I56 HydrophobicContact CB-CB 4.11Å; N53-I56 HydrophobicContact CB-CD1 3.74Å; N53-I56 HydrophobicContact CB-CG1 3.82Å; N53-I56 PolarHBondContact O-N 2.94Å; N53-E57 PolarHBondContact O-N 3.02Å | ||
| 54 | P | 64.4 | Low | 53.1 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.7 | -30 | -179.6 | 24.1 | -34 | 0 | 0 | 0 | 111.4 | N52 K58 | N52-P54 VanDerWaalsContact O-CD 3.23Å; N52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-K58 WeakPolarHBondContact O-CB 3.28Å; P54-K58 PolarHBondContact O-N 3.36Å |
| 55 | E | 58.6 | Low | 53.4 | Low | 119 Ų | 119 | 97.8 Ų | 97.8 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -49.5 | 172.8 | -159.7 | 85.8 | -138.8 | 0 | 0 | 110.9 | N53 K58 L59 | N53-E55 PolarHBondContact O-N 2.9Å; N53-E55 VanDerWaalsContact O-N 3.13Å; N53-E55 WeakPolarHBondContact OD1-CB 3.47Å; N53-E55 PolarHBondContact OD1-N 3.01Å; E55-K58 WeakPolarHBondContact O-CB 3.29Å; E55-K58 PolarHBondContact O-N 2.82Å; E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.42Å; E55-L59 PolarHBondContact O-N 2.62Å |
| 56 | I | 57.3 | Low | 53.6 | Low | 21 Ų | 21 | 96.2 Ų | 96.2 | 11% | 0.108 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -75.9 | -35.4 | -176.9 | -52.7 | 167.4 | 0 | 0 | 0 | 111 | N53 K58 L59 L60 F97 S127 P129 | N53-I56 HydrophobicContact CB-CB 4.11Å; N53-I56 HydrophobicContact CB-CD1 3.74Å; N53-I56 HydrophobicContact CB-CG1 3.82Å; N53-I56 PolarHBondContact O-N 2.94Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.39Å; I56-L59 PolarHBondContact O-N 3.23Å; I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.08Å; I56-L60 VanDerWaalsContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CD1 3.44Å; I56-L60 WeakPolarHBondContact O-CG 3.13Å; I56-L60 PolarHBondContact O-N 2.83Å; I56-F97 HydrophobicContact CG2-CE2 4.4Å; I56-F97 HydrophobicContact CG2-CZ 3.92Å; I56-S127 WeakPolarHBondContact CD1-O 3.16Å; I56-P129 HydrophobicContact CB-CG 4.2Å; I56-P129 HydrophobicContact CD1-CG 4.02Å; I56-P129 HydrophobicContact CG2-CB 4.45Å; I56-P129 HydrophobicContact CG2-CG 3.13Å |
| 57 | E | 59.3 | Low | 53.9 | Low | 96 Ų | 96 | 91 Ų | 91 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 170.8 | -69.8 | -170 | 152.2 | 0 | 0 | 111.7 | N52 N53 K61 | N52-E57 PolarHBondContact OD1-OE1 2.8Å; N53-E57 PolarHBondContact O-N 3.02Å; E57-K61 WeakPolarHBondContact O-CB 3.26Å; E57-K61 PolarHBondContact O-N 3.42Å |
| 58 | K | 63.6 | Low | 54.2 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 174.1 | -177.4 | -179.3 | 179.5 | -173.6 | 0 | 111.5 | P54 E55 I56 K61 N62 | P54-K58 WeakPolarHBondContact O-CB 3.28Å; P54-K58 PolarHBondContact O-N 3.36Å; E55-K58 WeakPolarHBondContact O-CB 3.29Å; E55-K58 PolarHBondContact O-N 2.82Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.39Å; K58-K61 PolarHBondContact O-N 3.1Å; K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.45Å; K58-N62 PolarHBondContact O-N 3.36Å; K58-N62 PolarHBondContact O-ND2 3.14Å; K58-N62 PolarHBondContact O-OD1 2.57Å |
| 59 | L | 61.4 | Low | 54.1 | Low | 65 Ų | 65 | 88.4 Ų | 88.4 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 174.9 | -71.3 | 171.1 | 0 | 0 | 0 | 111 | E55 I56 K61 N62 E63 | E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.42Å; E55-L59 PolarHBondContact O-N 2.62Å; I56-L59 PolarHBondContact O-N 3.23Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.6Å; L59-N62 PolarHBondContact O-N 2.93Å; L59-E63 WeakPolarHBondContact O-CB 3.07Å; L59-E63 PolarHBondContact O-N 3.46Å |
| 60 | L | 58.3 | Low | 53.7 | Low | 38 Ų | 38 | 90.2 Ų | 90.2 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.3 | -72.7 | 171.2 | 0 | 0 | 0 | 112.1 | I56 L64 V93 F97 | I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.08Å; I56-L60 VanDerWaalsContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CD1 3.44Å; I56-L60 WeakPolarHBondContact O-CG 3.13Å; I56-L60 PolarHBondContact O-N 2.83Å; L60-L64 HydrophobicContact CB-CD1 4.48Å; L60-L64 HydrophobicContact CD2-CD1 3.53Å; L60-L64 WeakPolarHBondContact O-CA 3.16Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-V93 HydrophobicContact CD2-CB 4.45Å; L60-V93 HydrophobicContact CD2-CG1 4.07Å; L60-V93 HydrophobicContact CD2-CG2 3.8Å; L60-F97 HydrophobicContact CD2-CE2 4.01Å |
| 61 | K | 60.2 | Low | 53.2 | Low | 135 Ų | 135 | 92.5 Ų | 92.5 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70 | -38.2 | 179.5 | -172.7 | 177.2 | -179.7 | -176.4 | 0 | 112.3 | E57 K58 L59 G66 | E57-K61 WeakPolarHBondContact O-CB 3.26Å; E57-K61 PolarHBondContact O-N 3.42Å; K58-K61 PolarHBondContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.6Å; K61-G66 PolarHBondContact O-N 3.38Å |
| 62 | N | 61.1 | Low | 52.8 | Low | 113 Ų | 113 | 89.2 Ų | 89.2 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -79.4 | -42.7 | -177.2 | -67.9 | -8.2 | 0 | 0 | 0 | 112.1 | K58 L59 | K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.45Å; K58-N62 PolarHBondContact O-N 3.36Å; K58-N62 PolarHBondContact O-ND2 3.14Å; K58-N62 PolarHBondContact O-OD1 2.57Å; L59-N62 PolarHBondContact O-N 2.93Å |
| 63 | E | 56.7 | Low | 52.4 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -88.3 | -21.8 | -176.2 | -64.7 | 171.3 | 145.3 | 0 | 0 | 112.6 | L59 H96 | L59-E63 WeakPolarHBondContact O-CB 3.07Å; L59-E63 PolarHBondContact O-N 3.46Å; E63-H96 VanDerWaalsContact CD-NE2 3.32Å; E63-H96 IonicContact OE1-NE2 3.32Å; E63-H96 IonicContact OE2-CE1 2.94Å; E63-H96 PolarHBondContact OE2-CE1 3.35Å; E63-H96 IonicContact OE2-ND1 3.87Å; E63-H96 IonicContact OE2-NE2 2.94Å; E63-H96 PolarHBondContact OE2-NE2 3.05Å |
| 64 | L | 51.6 | Low | 51.7 | Low | 40 Ų | 40 | 95.3 Ų | 95.3 | 21% | 0.209 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 70.9 | 175.2 | -52.2 | 168 | 0 | 0 | 0 | 111.2 | L60 G66 Y67 Q92 V93 | L60-L64 HydrophobicContact CB-CD1 4.48Å; L60-L64 HydrophobicContact CD2-CD1 3.53Å; L60-L64 WeakPolarHBondContact O-CA 3.16Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.41Å; L64-G66 PolarHBondContact O-N 3.02Å; L64-Y67 PolarHBondContact O-N 3.3Å; L64-Q92 HydrophobicContact CD2-CB 4.31Å; L64-V93 HydrophobicContact CD1-CG2 4.07Å |
| 65 | C | 48.8 | Very low | 51 | Low | 126 Ų | 126 | 95.7 Ų | 95.7 | 85% | 0.851 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.9 | 61.7 | 160.4 | -60.3 | 0 | 0 | 0 | 0 | 115.7 | Y67 | C65-Y67 PolarHBondContact O-N 2.92Š|
| 66 | G | 45.3 | Very low | 50.6 | Low | 58 Ų | 58 | 98 Ų | 98 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 45.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K61 L64 P68 | K61-G66 PolarHBondContact O-N 3.38Å; L64-G66 PolarHBondContact O-N 3.02Å; G66-P68 VanDerWaalsContact O-CD 3.3Å; G66-P68 WeakPolarHBondContact O-CD 3.39Å |
| 67 | Y | 47.8 | Very low | 50.3 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 35% | 0.345 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 117.4 | -177.8 | -174.8 | -98.6 | 0 | 0 | 0 | 112.3 | L64 C65 K89 | L64-Y67 PolarHBondContact O-N 3.3Å; C65-Y67 PolarHBondContact O-N 2.92Å; Y67-K89 HydrophobicContact CE2-CD 3.58Å; Y67-K89 HydrophobicContact CE2-CG 4.04Å; Y67-K89 WeakPolarHBondContact OH-CD 3.14Å; Y67-K89 WeakPolarHBondContact OH-CE 3.38Å; Y67-K89 PolarHBondContact OH-NZ 3.34Å |
| 68 | P | 45.1 | Very low | 50.8 | Low | 72 Ų | 72 | 108.3 Ų | 108.3 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 153.3 | -174.7 | 30.4 | -34.7 | 0 | 0 | 0 | 112.6 | G66 A72 | G66-P68 VanDerWaalsContact O-CD 3.3Å; G66-P68 WeakPolarHBondContact O-CD 3.39Å; P68-A72 HydrophobicContact CB-CB 4.3Å |
| 69 | A | 42.4 | Very low | 51.7 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 152.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S71 A72 | A69-S71 PolarHBondContact O-N 2.86Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-A72 VanDerWaalsContact O-N 3.08Å |
| 70 | Y | 38.2 | Very low | 52.7 | Low | 138 Ų | 138 | 106.9 Ų | 106.9 | 54% | 0.541 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.3 | -16.1 | -173.3 | -89.5 | -82.3 | 0 | 0 | 0 | 115.6 | R73 | Y70-R73 PolarHBondContact O-NE 3.44Å; Y70-R73 PolarHBondContact O-NH2 3.29Å |
| 71 | S | 39.1 | Very low | 53.9 | Low | 114 Ų | 114 | 108 Ų | 108 | 80% | 0.797 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -22.5 | 179.8 | 49 | 0 | 0 | 0 | 0 | 115 | A69 R73 | A69-S71 PolarHBondContact O-N 2.86Å; S71-R73 PolarHBondContact O-N 3.15Å |
| 72 | A | 40.6 | Very low | 55.1 | Low | 65 Ų | 65 | 103.9 Ų | 103.9 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | trans | -95.2 | 31.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P68 A69 K74 | P68-A72 HydrophobicContact CB-CB 4.3Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-A72 VanDerWaalsContact O-N 3.08Å; A72-K74 PolarHBondContact O-N 3.09Å; A72-K74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | R | 42.2 | Very low | 56.5 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | trans | -80.4 | 95.5 | -169.3 | -76 | -177.9 | -93.1 | -178.7 | -3.8 | 113.7 | Y70 S71 | Y70-R73 PolarHBondContact O-NE 3.44Å; Y70-R73 PolarHBondContact O-NH2 3.29Å; S71-R73 PolarHBondContact O-N 3.15Å | ||
| 74 | K | 44.1 | Very low | 58 | Low | 196 Ų | 196 | 97.9 Ų | 97.9 | 85% | 0.852 | 53% | 0.527 | S | S | * | . | trans | -77.7 | 127.6 | 148.1 | -69.4 | -176.6 | -179 | 178.5 | 0 | 108.5 | A72 R76 | A72-K74 PolarHBondContact O-N 3.09Å; A72-K74 VanDerWaalsContact O-N 3.13Å; K74-R76 PolarHBondContact O-N 3.43Å; K74-R76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | I | 50.3 | Low | 59.7 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | trans | -61.8 | 113 | 172.4 | -64 | 170.4 | 0 | 0 | 0 | 106.7 | R77 F79 I85 | I75-R77 PolarHBondContact O-N 2.99Å; I75-F79 HydrophobicContact CG2-CB 4.44Å; I75-F79 WeakPolarHBondContact CG2-O 3.28Å; I75-I85 HydrophobicContact CB-CD1 4.44Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å; I75-I85 HydrophobicContact CG2-CD1 4.24Å | ||
| 76 | R | 48.7 | Very low | 61.6 | Low | 169 Ų | 169 | 95.2 Ų | 95.2 | 64% | 0.638 | 50% | 0.497 | S | S | * | . | trans | -55.7 | 135.9 | 173.1 | -75.6 | -175.9 | 176.6 | 175.5 | -1.5 | 108.1 | K74 G78 F79 | K74-R76 PolarHBondContact O-N 3.43Å; K74-R76 VanDerWaalsContact O-N 3.1Å; R76-G78 PolarHBondContact O-N 3.31Å; R76-G78 VanDerWaalsContact O-N 3.09Å; R76-F79 HydrophobicContact CB-CD2 4.04Å; R76-F79 HydrophobicContact CB-CE2 4.31Å; R76-F79 PolarHBondContact O-N 2.94Å | ||
| 77 | R | 52.4 | Low | 63.8 | Low | 260 Ų | 260 | 92.7 Ų | 92.7 | 98% | 0.981 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 120 | 172.4 | -61.9 | -172.6 | -165.1 | -125.9 | 5.3 | 107.8 | I75 | I75-R77 PolarHBondContact O-N 2.99Š|
| 78 | G | 70.1 | Confident | 65.7 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 75% | 0.753 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.3 | -21 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R76 | R76-G78 PolarHBondContact O-N 3.31Å; R76-G78 VanDerWaalsContact O-N 3.09Å |
| 79 | F | 82.1 | Confident | 67.5 | Low | 43 Ų | 43 | 91.2 Ų | 91.2 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | trans | -92.9 | 131 | 170 | -66.7 | -75.5 | 0 | 0 | 0 | 110.9 | I75 R76 M84 I85 Y88 | I75-F79 HydrophobicContact CG2-CB 4.44Å; I75-F79 WeakPolarHBondContact CG2-O 3.28Å; R76-F79 HydrophobicContact CB-CD2 4.04Å; R76-F79 HydrophobicContact CB-CE2 4.31Å; R76-F79 PolarHBondContact O-N 2.94Å; F79-M84 HydrophobicContact CB-SD 4.34Å; F79-M84 HydrophobicContact CD1-CB 4.1Å; F79-M84 HydrophobicContact CD1-CE 3.92Å; F79-M84 HydrophobicContact CD1-CG 3.71Å; F79-M84 HydrophobicContact CD1-SD 3.76Å; F79-M84 HydrophobicContact CE1-CE 4.36Å; F79-M84 HydrophobicContact CE1-CG 4.38Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 3.61Å; F79-I85 HydrophobicContact CD1-CG1 4.21Å; F79-I85 HydrophobicContact CD2-CG1 3.95Å; F79-I85 HydrophobicContact CG-CG1 3.66Å; F79-Y88 HydrophobicContact CE1-CD1 4.37Å; F79-Y88 HydrophobicContact CE1-CD2 4.13Å; F79-Y88 AromaticContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE2-CD1 4.46Å; F79-Y88 AromaticContact CZ-CD1 3.68Å; F79-Y88 HydrophobicContact CZ-CD1 3.68Å; F79-Y88 AromaticContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CE1 4.16Å; F79-Y88 HydrophobicContact CZ-CE2 4.3Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å; F79-Y88 VanDerWaalsContact CZ-CG 3.5Å | ||
| 80 | Q | 82.7 | Confident | 69.7 | Low | 119 Ų | 119 | 89.6 Ų | 89.6 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | trans | -74.6 | -49.4 | 178.8 | -175.7 | 65.8 | 30 | 0 | 0 | 112.2 | M84 S145 | Q80-M84 HydrophobicContact CB-SD 4.45Å; Q80-S145 WeakPolarHBondContact CB-OG 3.48Å | ||
| 81 | D | 83.3 | Confident | 72.2 | Confident | 63 Ų | 63 | 88 Ų | 88 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -125.1 | 155.8 | -175.9 | -62.9 | -26.2 | 0 | 0 | 0 | 113 | I83 M84 I85 S145 | D81-I83 HydrophobicContact CB-CB 4.4Å; D81-I83 HydrophobicContact CB-CG1 4.25Å; D81-I83 PolarHBondContact O-N 3.3Å; D81-M84 VanDerWaalsContact O-CB 3.26Å; D81-M84 WeakPolarHBondContact O-CB 3.21Å; D81-M84 PolarHBondContact O-N 2.88Å; D81-I85 PolarHBondContact O-N 3.1Å; D81-S145 WeakPolarHBondContact CB-OG 3.41Å; D81-S145 PolarHBondContact OD2-OG 3.28Å |
| 82 | A | 85.8 | Confident | 74.3 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.3 | -23.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R86 | A82-R86 WeakPolarHBondContact O-CG 3.47Å; A82-R86 PolarHBondContact O-N 3.12Å; A82-R86 PolarHBondContact O-NE 3.2Å |
| 83 | I | 88.8 | Confident | 76.3 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.6 | -38 | 175.2 | -36.4 | -164.9 | 0 | 0 | 0 | 111.4 | D81 I85 R86 D87 R140 | D81-I83 HydrophobicContact CB-CB 4.4Å; D81-I83 HydrophobicContact CB-CG1 4.25Å; D81-I83 PolarHBondContact O-N 3.3Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.36Å; I83-D87 PolarHBondContact O-N 3.41Å; I83-R140 VanDerWaalsContact CG2-CZ 3.41Å |
| 84 | M | 88.9 | Confident | 78.5 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.2 | -161.4 | -177.8 | 167.1 | 0 | 0 | 110.5 | F79 Q80 D81 R86 D87 Y88 I142 | F79-M84 HydrophobicContact CB-SD 4.34Å; F79-M84 HydrophobicContact CD1-CB 4.1Å; F79-M84 HydrophobicContact CD1-CE 3.92Å; F79-M84 HydrophobicContact CD1-CG 3.71Å; F79-M84 HydrophobicContact CD1-SD 3.76Å; F79-M84 HydrophobicContact CE1-CE 4.36Å; F79-M84 HydrophobicContact CE1-CG 4.38Å; Q80-M84 HydrophobicContact CB-SD 4.45Å; D81-M84 VanDerWaalsContact O-CB 3.26Å; D81-M84 WeakPolarHBondContact O-CB 3.21Å; D81-M84 PolarHBondContact O-N 2.88Å; M84-R86 VanDerWaalsContact C-N 3.3Å; M84-R86 PolarHBondContact O-N 3.47Å; M84-D87 PolarHBondContact O-N 2.94Å; M84-Y88 WeakPolarHBondContact O-CB 3.41Å; M84-Y88 PolarHBondContact O-N 2.81Å; M84-I142 VanDerWaalsContact CE-O 3.25Å; M84-I142 WeakPolarHBondContact CE-O 3.49Å |
| 85 | I | 86.7 | Confident | 80.4 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.2 | -65.5 | 177.8 | 0 | 0 | 0 | 111 | I75 F79 D81 I83 K89 | I75-I85 HydrophobicContact CB-CD1 4.44Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å; I75-I85 HydrophobicContact CG2-CD1 4.24Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 3.61Å; F79-I85 HydrophobicContact CD1-CG1 4.21Å; F79-I85 HydrophobicContact CD2-CG1 3.95Å; F79-I85 HydrophobicContact CG-CG1 3.66Å; D81-I85 PolarHBondContact O-N 3.1Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I85-K89 HydrophobicContact CG2-CD 4.22Å; I85-K89 WeakPolarHBondContact O-CD 3.47Å; I85-K89 WeakPolarHBondContact O-CE 3.48Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.43Å; I85-K89 VanDerWaalsContact O-N 3.16Å |
| 86 | R | 88.6 | Confident | 81.9 | Confident | 95 Ų | 95 | 71 Ų | 71 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.8 | -76.5 | -178.8 | -77.7 | 144.6 | -13.8 | 112.3 | A82 I83 M84 K89 R90 | A82-R86 WeakPolarHBondContact O-CG 3.47Å; A82-R86 PolarHBondContact O-N 3.12Å; A82-R86 PolarHBondContact O-NE 3.2Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.36Å; M84-R86 VanDerWaalsContact C-N 3.3Å; M84-R86 PolarHBondContact O-N 3.47Å; R86-K89 PolarHBondContact O-N 3.09Å; R86-R90 WeakPolarHBondContact O-CG 3.04Å; R86-R90 PolarHBondContact O-N 3.5Å; R86-R90 VanDerWaalsContact O-N 3.11Å |
| 87 | D | 92.2 | Very high | 83.7 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.032 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.2 | -166.6 | 79.2 | 0 | 0 | 0 | 111.8 | I83 M84 K89 R90 R91 L138 | I83-D87 PolarHBondContact O-N 3.41Å; M84-D87 PolarHBondContact O-N 2.94Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 3.45Å; D87-R90 PolarHBondContact O-N 3.47Å; D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.42Å; D87-R91 IonicContact OD2-CZ 3.46Å; D87-R91 IonicContact OD2-NE 3.4Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.7Å; D87-R91 PolarHBondContact OD2-NH2 2.91Å; D87-L138 PolarHBondContact OD1-N 2.96Å |
| 88 | Y | 87.5 | Confident | 85.5 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 174.6 | 174.3 | -102.8 | 0 | 0 | 0 | 111.9 | F79 M84 R91 Q92 | F79-Y88 HydrophobicContact CE1-CD1 4.37Å; F79-Y88 HydrophobicContact CE1-CD2 4.13Å; F79-Y88 AromaticContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE2-CD1 4.46Å; F79-Y88 AromaticContact CZ-CD1 3.68Å; F79-Y88 HydrophobicContact CZ-CD1 3.68Å; F79-Y88 AromaticContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CE1 4.16Å; F79-Y88 HydrophobicContact CZ-CE2 4.3Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å; F79-Y88 VanDerWaalsContact CZ-CG 3.5Å; M84-Y88 WeakPolarHBondContact O-CB 3.41Å; M84-Y88 PolarHBondContact O-N 2.81Å; Y88-R91 WeakPolarHBondContact O-CB 3.35Å; Y88-R91 PolarHBondContact O-N 3.05Å; Y88-Q92 HydrophobicContact CE1-CG 4.13Å; Y88-Q92 HydrophobicContact CE2-CG 4.49Å; Y88-Q92 WeakPolarHBondContact O-CG 3.29Å; Y88-Q92 PolarHBondContact O-N 3.4Å; Y88-Q92 VanDerWaalsContact O-N 3.12Å |
| 89 | K | 82.3 | Confident | 86.5 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.7 | -69.4 | 163.5 | -165 | -172.4 | 0 | 112.2 | Y67 I85 R86 D87 R91 Q92 V93 | Y67-K89 HydrophobicContact CE2-CD 3.58Å; Y67-K89 HydrophobicContact CE2-CG 4.04Å; Y67-K89 WeakPolarHBondContact OH-CD 3.14Å; Y67-K89 WeakPolarHBondContact OH-CE 3.38Å; Y67-K89 PolarHBondContact OH-NZ 3.34Å; I85-K89 HydrophobicContact CG2-CD 4.22Å; I85-K89 WeakPolarHBondContact O-CD 3.47Å; I85-K89 WeakPolarHBondContact O-CE 3.48Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.43Å; I85-K89 VanDerWaalsContact O-N 3.16Å; R86-K89 PolarHBondContact O-N 3.09Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 3.45Å; K89-R91 PolarHBondContact O-N 3.04Å; K89-Q92 WeakPolarHBondContact O-CB 3.4Å; K89-Q92 PolarHBondContact O-N 3.06Å; K89-Q92 VanDerWaalsContact O-N 3.1Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.49Å |
| 90 | R | 89.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -38.3 | 174.8 | -68 | -175 | -164.7 | 126.4 | 3.3 | 112.2 | R86 D87 V93 S94 D131 | R86-R90 WeakPolarHBondContact O-CG 3.04Å; R86-R90 PolarHBondContact O-N 3.5Å; R86-R90 VanDerWaalsContact O-N 3.11Å; D87-R90 PolarHBondContact O-N 3.47Å; R90-V93 PolarHBondContact O-N 3Å; R90-S94 WeakPolarHBondContact O-CB 3.5Å; R90-S94 PolarHBondContact O-N 3.3Å; R90-D131 HydrophobicContact CG-CB 3.97Å; R90-D131 IonicContact NE-OD1 2.79Å; R90-D131 PolarHBondContact NE-OD1 3.36Å; R90-D131 IonicContact NE-OD2 3.25Å |
| 91 | R | 89.8 | Confident | 87.3 | Confident | 104 Ų | 104 | 52 Ų | 52 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.7 | -68 | 168 | -177.6 | -88.4 | -3.9 | 111.8 | D87 Y88 K89 A95 I137 L138 | D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.42Å; D87-R91 IonicContact OD2-CZ 3.46Å; D87-R91 IonicContact OD2-NE 3.4Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.7Å; D87-R91 PolarHBondContact OD2-NH2 2.91Å; Y88-R91 WeakPolarHBondContact O-CB 3.35Å; Y88-R91 PolarHBondContact O-N 3.05Å; K89-R91 PolarHBondContact O-N 3.04Å; R91-A95 VanDerWaalsContact O-CB 3.27Å; R91-A95 WeakPolarHBondContact O-CB 3.13Å; R91-A95 PolarHBondContact O-N 3.39Å; R91-I137 HydrophobicContact CG-CD1 4.16Å; R91-I137 HydrophobicContact CG-CG1 4.24Å; R91-I137 HydrophobicContact CG-CG2 3.77Å; R91-I137 VanDerWaalsContact CZ-CG2 3.42Å; R91-L138 PolarHBondContact NH2-O 3.38Å |
| 92 | Q | 84.7 | Confident | 87.9 | Confident | 79 Ų | 79 | 54 Ų | 54 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -51 | 176.1 | -61.7 | -59.1 | -41.3 | 0 | 0 | 111.3 | L64 Y88 K89 S94 A95 H96 | L64-Q92 HydrophobicContact CD2-CB 4.31Å; Y88-Q92 HydrophobicContact CE1-CG 4.13Å; Y88-Q92 HydrophobicContact CE2-CG 4.49Å; Y88-Q92 WeakPolarHBondContact O-CG 3.29Å; Y88-Q92 PolarHBondContact O-N 3.4Å; Y88-Q92 VanDerWaalsContact O-N 3.12Å; K89-Q92 WeakPolarHBondContact O-CB 3.4Å; K89-Q92 PolarHBondContact O-N 3.06Å; K89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-S94 PolarHBondContact O-N 3.01Å; Q92-A95 PolarHBondContact O-N 2.97Å; Q92-H96 PolarHBondContact O-N 3.17Å |
| 93 | V | 81.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | L60 L64 K89 R90 A95 H96 F97 | L60-V93 HydrophobicContact CD2-CB 4.45Å; L60-V93 HydrophobicContact CD2-CG1 4.07Å; L60-V93 HydrophobicContact CD2-CG2 3.8Å; L64-V93 HydrophobicContact CD1-CG2 4.07Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.49Å; R90-V93 PolarHBondContact O-N 3Å; V93-A95 VanDerWaalsContact C-N 3.34Å; V93-A95 PolarHBondContact O-N 3.27Å; V93-H96 WeakPolarHBondContact O-CB 3.48Å; V93-H96 PolarHBondContact O-N 3.34Å; V93-F97 HydrophobicContact CG1-CD2 3.88Å; V93-F97 HydrophobicContact CG1-CE2 4.17Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 3.43Å; V93-F97 VanDerWaalsContact O-N 3.09Å |
| 94 | S | 88.2 | Confident | 88.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | R90 Q92 C98 S132 | R90-S94 WeakPolarHBondContact O-CB 3.5Å; R90-S94 PolarHBondContact O-N 3.3Å; Q92-S94 PolarHBondContact O-N 3.01Å; S94-C98 WeakPolarHBondContact O-CA 3.27Å; S94-C98 VanDerWaalsContact O-CB 3.3Å; S94-C98 WeakPolarHBondContact O-CB 3.38Å; S94-C98 PolarHBondContact O-N 3.4Å; S94-S132 PolarHBondContact OG-O 3.07Å |
| 95 | A | 85.1 | Confident | 89.1 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.8 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R91 Q92 V93 C98 | R91-A95 VanDerWaalsContact O-CB 3.27Å; R91-A95 WeakPolarHBondContact O-CB 3.13Å; R91-A95 PolarHBondContact O-N 3.39Å; Q92-A95 PolarHBondContact O-N 2.97Å; V93-A95 VanDerWaalsContact C-N 3.34Å; V93-A95 PolarHBondContact O-N 3.27Å; A95-C98 WeakPolarHBondContact O-CB 3.45Å; A95-C98 PolarHBondContact O-N 3.14Å |
| 96 | H | 81.8 | Confident | 89.6 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -53.5 | 176.7 | -173.7 | -96.5 | 0 | 0 | 0 | 112.6 | E63 Q92 V93 C98 | E63-H96 VanDerWaalsContact CD-NE2 3.32Å; E63-H96 IonicContact OE1-NE2 3.32Å; E63-H96 IonicContact OE2-CE1 2.94Å; E63-H96 PolarHBondContact OE2-CE1 3.35Å; E63-H96 IonicContact OE2-ND1 3.87Å; E63-H96 IonicContact OE2-NE2 2.94Å; E63-H96 PolarHBondContact OE2-NE2 3.05Å; Q92-H96 PolarHBondContact O-N 3.17Å; V93-H96 WeakPolarHBondContact O-CB 3.48Å; V93-H96 PolarHBondContact O-N 3.34Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 3.33Å |
| 97 | F | 86.9 | Confident | 90.1 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2.1 | -176.6 | -73.3 | -75 | 0 | 0 | 0 | 114.5 | I56 L60 V93 N99 L100 R101 L128 P129 | I56-F97 HydrophobicContact CG2-CE2 4.4Å; I56-F97 HydrophobicContact CG2-CZ 3.92Å; L60-F97 HydrophobicContact CD2-CE2 4.01Å; V93-F97 HydrophobicContact CG1-CD2 3.88Å; V93-F97 HydrophobicContact CG1-CE2 4.17Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 3.43Å; V93-F97 VanDerWaalsContact O-N 3.09Å; F97-N99 PolarHBondContact O-N 3.44Å; F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 HydrophobicContact CE1-CD2 4.5Å; F97-L100 PolarHBondContact O-N 3.45Å; F97-R101 WeakPolarHBondContact O-CG 3.39Å; F97-R101 PolarHBondContact O-N 2.93Å; F97-L128 HydrophobicContact CD1-CD2 4.13Å; F97-L128 HydrophobicContact CE1-CD2 4.2Å; F97-P129 HydrophobicContact CE2-CG 3.99Å; F97-P129 HydrophobicContact CZ-CG 4.19Å |
| 98 | C | 89.5 | Confident | 90.2 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -52.9 | -172.7 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | S94 A95 H96 L100 R101 I102 | S94-C98 WeakPolarHBondContact O-CA 3.27Å; S94-C98 VanDerWaalsContact O-CB 3.3Å; S94-C98 WeakPolarHBondContact O-CB 3.38Å; S94-C98 PolarHBondContact O-N 3.4Å; A95-C98 WeakPolarHBondContact O-CB 3.45Å; A95-C98 PolarHBondContact O-N 3.14Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 3.33Å; C98-L100 PolarHBondContact O-N 3.19Å; C98-R101 PolarHBondContact O-N 3.22Å; C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.4Å; C98-I102 PolarHBondContact O-N 3.39Å |
| 99 | N | 90.2 | Very high | 90.6 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | -177.1 | -67.7 | -22.7 | 0 | 0 | 0 | 112.1 | F97 I102 R103 | F97-N99 PolarHBondContact O-N 3.44Å; N99-I102 PolarHBondContact O-N 3.11Å; N99-R103 VanDerWaalsContact O-CG 3.31Å; N99-R103 WeakPolarHBondContact O-CG 3.31Å; N99-R103 PolarHBondContact O-N 2.95Å |
| 100 | L | 89.8 | Confident | 91.3 | Very high | 70 Ų | 70 | 67 Ų | 67 | 37% | 0.366 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 178.1 | -176.1 | 65.6 | 0 | 0 | 0 | 111.3 | F97 C98 I102 R103 L104 L128 | F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 HydrophobicContact CE1-CD2 4.5Å; F97-L100 PolarHBondContact O-N 3.45Å; C98-L100 PolarHBondContact O-N 3.19Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 2.94Å; L100-R103 PolarHBondContact O-N 3.26Å; L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L100-L128 HydrophobicContact CD2-CD1 4.25Å; L100-L128 HydrophobicContact CD2-CD2 3.66Å |
| 101 | R | 93 | Very high | 91.6 | Very high | 25 Ų | 25 | 71.6 Ų | 71.6 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.4 | -69.1 | -173.1 | 74.6 | 74.5 | 8.3 | 112.2 | F97 C98 N105 L128 S132 | F97-R101 WeakPolarHBondContact O-CG 3.39Å; F97-R101 PolarHBondContact O-N 2.93Å; C98-R101 PolarHBondContact O-N 3.22Å; R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.26Å; R101-N105 PolarHBondContact O-N 3.11Å; R101-N105 PolarHBondContact O-ND2 2.94Å; R101-L128 HydrophobicContact CG-CD1 3.68Å; R101-S132 VanDerWaalsContact CD-O 3.27Å; R101-S132 WeakPolarHBondContact CD-O 3.43Å; R101-S132 PolarHBondContact NH1-OG 2.96Å |
| 102 | I | 96 | Very high | 92 | Very high | 105 Ų | 105 | 74.1 Ų | 74.1 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -49.8 | 175.9 | -70.4 | 165.4 | 0 | 0 | 0 | 109.8 | C98 N99 L100 N105 A106 | C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.4Å; C98-I102 PolarHBondContact O-N 3.39Å; N99-I102 PolarHBondContact O-N 3.11Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 2.94Å; I102-N105 PolarHBondContact O-N 3.34Å; I102-A106 PolarHBondContact O-N 3.22Å |
| 103 | R | 96.7 | Very high | 92.5 | Very high | 171 Ų | 171 | 73 Ų | 73 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.4 | -50.2 | 178.8 | -68.7 | 169.7 | -173.8 | 172.8 | 0.7 | 112.3 | N99 L100 N105 A106 I107 | N99-R103 VanDerWaalsContact O-CG 3.31Å; N99-R103 WeakPolarHBondContact O-CG 3.31Å; N99-R103 PolarHBondContact O-N 2.95Å; L100-R103 PolarHBondContact O-N 3.26Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.16Å; R103-A106 WeakPolarHBondContact O-CB 3.47Å; R103-A106 PolarHBondContact O-N 2.88Å; R103-I107 PolarHBondContact O-N 3.21Å; R103-I107 VanDerWaalsContact O-N 3.14Å |
| 104 | L | 95.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.3 | -37 | 179 | -68.1 | 171.4 | 0 | 0 | 0 | 112.2 | L100 A106 I107 R108 I125 L128 | L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-I107 PolarHBondContact O-N 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.01Å; L104-R108 PolarHBondContact O-N 3.03Å; L104-I125 HydrophobicContact CB-CD1 3.74Å; L104-I125 HydrophobicContact CB-CG1 3.47Å; L104-I125 VanDerWaalsContact CB-CG1 3.47Å; L104-I125 HydrophobicContact CD1-CG1 3.86Å; L104-I125 HydrophobicContact CG-CG1 4.28Å; L104-L128 HydrophobicContact CD1-CD1 4.05Å |
| 105 | N | 96.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 79.8 Ų | 79.8 | 20% | 0.198 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.4 | -32.1 | 175.7 | -84.3 | -58.2 | 0 | 0 | 0 | 112.7 | R101 I102 R103 R108 K109 | R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.26Å; R101-N105 PolarHBondContact O-N 3.11Å; R101-N105 PolarHBondContact O-ND2 2.94Å; I102-N105 PolarHBondContact O-N 3.34Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.16Å; N105-R108 PolarHBondContact OD1-NE 3.32Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; N105-K109 VanDerWaalsContact O-CB 3.31Å; N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 VanDerWaalsContact O-CG 3.31Å; N105-K109 WeakPolarHBondContact O-CG 3.45Å; N105-K109 PolarHBondContact O-N 3.4Å; N105-K109 VanDerWaalsContact O-N 3.1Å |
| 106 | A | 97.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 82.7 Ų | 82.7 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -53.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I102 R103 L104 R108 K109 N110 | I102-A106 PolarHBondContact O-N 3.22Å; R103-A106 WeakPolarHBondContact O-CB 3.47Å; R103-A106 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.25Å; A106-K109 PolarHBondContact O-N 3.41Å; A106-K109 VanDerWaalsContact O-N 3.14Å; A106-N110 PolarHBondContact O-N 2.9Å; A106-N110 VanDerWaalsContact O-N 3.16Å; A106-N110 PolarHBondContact O-ND2 2.78Å; A106-N110 VanDerWaalsContact O-ND2 3.08Å; A106-N110 PolarHBondContact O-OD1 3.09Å; A106-N110 VanDerWaalsContact O-OD1 3.07Å |
| 107 | I | 97.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 82.8 Ų | 82.8 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.1 | -51.5 | 177.8 | -62.7 | 168.8 | 0 | 0 | 0 | 111.3 | R103 L104 K109 N110 L113 I117 A121 | R103-I107 PolarHBondContact O-N 3.21Å; R103-I107 VanDerWaalsContact O-N 3.14Å; L104-I107 PolarHBondContact O-N 3.27Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.3Å; I107-N110 WeakPolarHBondContact CA-ND2 3.5Å; I107-N110 PolarHBondContact O-N 3.18Å; I107-L113 HydrophobicContact CG2-CD1 3.91Å; I107-I117 HydrophobicContact CG2-CG2 3.75Å; I107-A121 HydrophobicContact CB-CB 4.09Å; I107-A121 HydrophobicContact CG2-CB 3.69Å |
| 108 | R | 95.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 83.7 Ų | 83.7 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | -178.2 | -175.2 | -177.9 | 65 | 82 | -0.9 | 113.7 | L104 N105 A106 A121 T122 I125 | L104-R108 WeakPolarHBondContact O-CB 3.01Å; L104-R108 PolarHBondContact O-N 3.03Å; N105-R108 PolarHBondContact OD1-NE 3.32Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; A106-R108 PolarHBondContact O-N 3.25Å; R108-A121 HydrophobicContact CB-CB 4.34Å; R108-T122 VanDerWaalsContact CD-OG1 3.27Å; R108-T122 WeakPolarHBondContact CD-OG1 3.26Å; R108-T122 WeakPolarHBondContact CG-OG1 3.3Å; R108-I125 HydrophobicContact CB-CD1 4.44Å |
| 109 | K | 96.2 | Very high | 95.5 | Very high | 150 Ų | 150 | 84.9 Ų | 84.9 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -93 | -0.5 | -175.7 | -70.4 | -177 | 174 | -170.5 | 0 | 113.8 | N105 A106 I107 | N105-K109 VanDerWaalsContact O-CB 3.31Å; N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 VanDerWaalsContact O-CG 3.31Å; N105-K109 WeakPolarHBondContact O-CG 3.45Å; N105-K109 PolarHBondContact O-N 3.4Å; N105-K109 VanDerWaalsContact O-N 3.1Å; A106-K109 PolarHBondContact O-N 3.41Å; A106-K109 VanDerWaalsContact O-N 3.14Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.3Å |
| 110 | N | 97 | Very high | 95.7 | Very high | 69 Ų | 69 | 84.4 Ų | 84.4 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | trans | -71.8 | 142.6 | 179 | -70.6 | -31.3 | 0 | 0 | 0 | 111.3 | A106 I107 L113 K118 | A106-N110 PolarHBondContact O-N 2.9Å; A106-N110 VanDerWaalsContact O-N 3.16Å; A106-N110 PolarHBondContact O-ND2 2.78Å; A106-N110 VanDerWaalsContact O-ND2 3.08Å; A106-N110 PolarHBondContact O-OD1 3.09Å; A106-N110 VanDerWaalsContact O-OD1 3.07Å; I107-N110 WeakPolarHBondContact CA-ND2 3.5Å; I107-N110 PolarHBondContact O-N 3.18Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.96Å; N110-L113 HydrophobicContact CB-CG 3.98Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.41Å; N110-K118 VanDerWaalsContact O-CD 3.3Å; N110-K118 WeakPolarHBondContact O-CD 3.12Å | ||
| 111 | T | 96.2 | Very high | 95.9 | Very high | 132 Ų | 132 | 81.2 Ų | 81.2 | 81% | 0.81 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -90.8 | -24.3 | 174.8 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 112 | I | 97.3 | Very high | 96 | Very high | 158 Ų | 158 | 83 Ų | 83 | 81% | 0.81 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -79.4 | -30 | -174.2 | -59.9 | 163.3 | 0 | 0 | 0 | 112.2 | ||
| 113 | L | 95.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 83.4 Ų | 83.4 | 29% | 0.293 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -78.8 | 147.2 | -172.7 | -62.1 | 179.9 | 0 | 0 | 0 | 112.4 | I107 N110 I117 K118 | I107-L113 HydrophobicContact CG2-CD1 3.91Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.96Å; N110-L113 HydrophobicContact CB-CG 3.98Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.41Å; L113-I117 HydrophobicContact CD1-CG2 4.42Å; L113-K118 HydrophobicContact CB-CG 4.46Å; L113-K118 WeakPolarHBondContact O-CE 3.27Å; L113-K118 PolarHBondContact O-NZ 2.96Å |
| 114 | P | 97.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 82 Ų | 82 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -52.3 | 151.7 | 169.8 | -25.4 | 32.9 | 0 | 0 | 0 | 113.2 | E116 I117 K118 | P114-E116 VanDerWaalsContact C-N 3.31Å; P114-E116 WeakPolarHBondContact CB-OE2 3.4Å; P114-E116 PolarHBondContact O-N 3.12Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.4Å; P114-K118 WeakPolarHBondContact O-CE 3.27Å; P114-K118 PolarHBondContact O-N 3.38Å | ||
| 115 | Q | 95.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 82.2 Ų | 82.2 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | -175.3 | -172.1 | 58.7 | 41.8 | 0 | 0 | 112.3 | I117 K118 D119 | Q115-I117 VanDerWaalsContact C-N 3.32Å; Q115-I117 PolarHBondContact O-N 3Å; Q115-K118 VanDerWaalsContact CA-CE 3.45Å; Q115-K118 WeakPolarHBondContact O-CA 3.41Å; Q115-K118 WeakPolarHBondContact O-CB 3.4Å; Q115-K118 PolarHBondContact O-N 2.81Å; Q115-D119 PolarHBondContact NE2-OD1 3.31Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 2.94Å |
| 116 | E | 96.1 | Very high | 95 | Very high | 130 Ų | 130 | 83 Ų | 83 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | -178.1 | -55.4 | 72.9 | -157.3 | 0 | 0 | 110.9 | P114 K118 D119 L120 | P114-E116 VanDerWaalsContact C-N 3.31Å; P114-E116 WeakPolarHBondContact CB-OE2 3.4Å; P114-E116 PolarHBondContact O-N 3.12Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; E116-D119 PolarHBondContact O-N 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 3.14Å |
| 117 | I | 96.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 83.2 Ų | 83.2 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 177.9 | -63.7 | 177 | 0 | 0 | 0 | 110.9 | I107 L113 P114 Q115 A121 | I107-I117 HydrophobicContact CG2-CG2 3.75Å; L113-I117 HydrophobicContact CD1-CG2 4.42Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.4Å; Q115-I117 VanDerWaalsContact C-N 3.32Å; Q115-I117 PolarHBondContact O-N 3Å; I117-A121 WeakPolarHBondContact O-CB 3.3Å; I117-A121 PolarHBondContact O-N 3.1Å |
| 118 | K | 95.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 81.3 Ų | 81.3 | 15% | 0.148 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 177.6 | -65.1 | 177.9 | -61.3 | -174.3 | 0 | 111.5 | N110 L113 P114 Q115 E116 A121 T122 | N110-K118 VanDerWaalsContact O-CD 3.3Å; N110-K118 WeakPolarHBondContact O-CD 3.12Å; L113-K118 HydrophobicContact CB-CG 4.46Å; L113-K118 WeakPolarHBondContact O-CE 3.27Å; L113-K118 PolarHBondContact O-NZ 2.96Å; P114-K118 WeakPolarHBondContact O-CE 3.27Å; P114-K118 PolarHBondContact O-N 3.38Å; Q115-K118 VanDerWaalsContact CA-CE 3.45Å; Q115-K118 WeakPolarHBondContact O-CA 3.41Å; Q115-K118 WeakPolarHBondContact O-CB 3.4Å; Q115-K118 PolarHBondContact O-N 2.81Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; K118-A121 PolarHBondContact O-N 3.33Å; K118-T122 PolarHBondContact O-N 2.96Å; K118-T122 PolarHBondContact O-OG1 3.07Å |
| 119 | D | 95 | Very high | 93.5 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 176.1 | -66.5 | -18.3 | 0 | 0 | 0 | 110.5 | Q115 E116 A121 T122 L123 | Q115-D119 PolarHBondContact NE2-OD1 3.31Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 2.94Å; E116-D119 PolarHBondContact O-N 3.25Å; D119-A121 PolarHBondContact O-N 3Å; D119-T122 WeakPolarHBondContact O-CB 3.37Å; D119-T122 PolarHBondContact O-N 3.32Å; D119-T122 VanDerWaalsContact O-N 3.09Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 3.08Å |
| 120 | L | 94.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 77.9 Ų | 77.9 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 171.5 | -70.9 | 176.5 | 0 | 0 | 0 | 111.7 | E116 T122 L123 Y124 | E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 3.14Å; L120-T122 PolarHBondContact O-N 3.41Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L120-Y124 HydrophobicContact CB-CD2 4.48Å; L120-Y124 HydrophobicContact CB-CE2 4.31Å; L120-Y124 WeakPolarHBondContact O-CD2 3.41Å; L120-Y124 PolarHBondContact O-N 2.84Å |
| 121 | A | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 76.7 Ų | 76.7 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I107 R108 I117 K118 D119 Y124 I125 | I107-A121 HydrophobicContact CB-CB 4.09Å; I107-A121 HydrophobicContact CG2-CB 3.69Å; R108-A121 HydrophobicContact CB-CB 4.34Å; I117-A121 WeakPolarHBondContact O-CB 3.3Å; I117-A121 PolarHBondContact O-N 3.1Å; K118-A121 PolarHBondContact O-N 3.33Å; D119-A121 PolarHBondContact O-N 3Å; A121-Y124 PolarHBondContact O-N 2.95Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 2.81Å |
| 122 | T | 93.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | R108 K118 D119 L120 I125 S126 | R108-T122 VanDerWaalsContact CD-OG1 3.27Å; R108-T122 WeakPolarHBondContact CD-OG1 3.26Å; R108-T122 WeakPolarHBondContact CG-OG1 3.3Å; K118-T122 PolarHBondContact O-N 2.96Å; K118-T122 PolarHBondContact O-OG1 3.07Å; D119-T122 WeakPolarHBondContact O-CB 3.37Å; D119-T122 PolarHBondContact O-N 3.32Å; D119-T122 VanDerWaalsContact O-N 3.09Å; L120-T122 PolarHBondContact O-N 3.41Å; T122-I125 PolarHBondContact O-N 3Å; T122-S126 PolarHBondContact O-N 3.05Å |
| 123 | L | 92.1 | Very high | 92 | Very high | 113 Ų | 113 | 65 Ų | 65 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 173.6 | -65.8 | 171.8 | 0 | 0 | 0 | 112 | D119 L120 S126 S127 | D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 3.08Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L123-S126 PolarHBondContact O-N 2.57Å; L123-S126 PolarHBondContact O-OG 3.25Å; L123-S127 PolarHBondContact O-N 2.77Å |
| 124 | Y | 90.3 | Very high | 91.9 | Very high | 141 Ų | 141 | 70.9 Ų | 70.9 | 55% | 0.553 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 174 | -75.8 | -64.4 | 0 | 0 | 0 | 112.4 | L120 A121 S126 S127 L128 | L120-Y124 HydrophobicContact CB-CD2 4.48Å; L120-Y124 HydrophobicContact CB-CE2 4.31Å; L120-Y124 WeakPolarHBondContact O-CD2 3.41Å; L120-Y124 PolarHBondContact O-N 2.84Å; A121-Y124 PolarHBondContact O-N 2.95Å; Y124-S126 VanDerWaalsContact C-N 3.28Å; Y124-S126 PolarHBondContact O-N 3.13Å; Y124-S127 PolarHBondContact O-N 2.79Å; Y124-S127 PolarHBondContact O-OG 3.06Å; Y124-L128 WeakPolarHBondContact O-CG 3.31Å; Y124-L128 PolarHBondContact O-N 3.14Å |
| 125 | I | 90.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.4 | -71.8 | 170.5 | 0 | 0 | 0 | 111.3 | L104 R108 A121 T122 | L104-I125 HydrophobicContact CB-CD1 3.74Å; L104-I125 HydrophobicContact CB-CG1 3.47Å; L104-I125 VanDerWaalsContact CB-CG1 3.47Å; L104-I125 HydrophobicContact CD1-CG1 3.86Å; L104-I125 HydrophobicContact CG-CG1 4.28Å; R108-I125 HydrophobicContact CB-CD1 4.44Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 2.81Å; T122-I125 PolarHBondContact O-N 3Å |
| 126 | S | 90.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 70.6 Ų | 70.6 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.8 | -34.7 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | H50 T122 L123 Y124 L128 | H50-S126 PolarHBondContact CE1-O 3.17Å; H50-S126 PolarHBondContact ND1-O 3.02Å; T122-S126 PolarHBondContact O-N 3.05Å; L123-S126 PolarHBondContact O-N 2.57Å; L123-S126 PolarHBondContact O-OG 3.25Å; Y124-S126 VanDerWaalsContact C-N 3.28Å; Y124-S126 PolarHBondContact O-N 3.13Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 3.15Å |
| 127 | S | 87.5 | Confident | 91.6 | Very high | 55 Ų | 55 | 66.6 Ų | 66.6 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -22.5 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 114.5 | I56 L123 Y124 | I56-S127 WeakPolarHBondContact CD1-O 3.16Å; L123-S127 PolarHBondContact O-N 2.77Å; Y124-S127 PolarHBondContact O-N 2.79Å; Y124-S127 PolarHBondContact O-OG 3.06Å |
| 128 | L | 85 | Confident | 91.5 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -63.1 | 156.3 | 176.9 | -65.1 | 178.4 | 0 | 0 | 0 | 113 | F97 L100 R101 L104 Y124 S126 R130 | F97-L128 HydrophobicContact CD1-CD2 4.13Å; F97-L128 HydrophobicContact CE1-CD2 4.2Å; L100-L128 HydrophobicContact CD2-CD1 4.25Å; L100-L128 HydrophobicContact CD2-CD2 3.66Å; R101-L128 HydrophobicContact CG-CD1 3.68Å; L104-L128 HydrophobicContact CD1-CD1 4.05Å; Y124-L128 WeakPolarHBondContact O-CG 3.31Å; Y124-L128 PolarHBondContact O-N 3.14Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 3.15Å; L128-R130 PolarHBondContact O-N 3.4Å |
| 129 | P | 86.6 | Confident | 91.4 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 16% | 0.156 | 34% | 0.339 | C | S | . | . | trans | -58.6 | 135.6 | 178.2 | -24.9 | 36.8 | 0 | 0 | 0 | 111.2 | I56 F97 D131 S132 | I56-P129 HydrophobicContact CB-CG 4.2Å; I56-P129 HydrophobicContact CD1-CG 4.02Å; I56-P129 HydrophobicContact CG2-CB 4.45Å; I56-P129 HydrophobicContact CG2-CG 3.13Å; F97-P129 HydrophobicContact CE2-CG 3.99Å; F97-P129 HydrophobicContact CZ-CG 4.19Å; P129-D131 PolarHBondContact O-N 3.31Å; P129-D131 VanDerWaalsContact O-N 3.14Å; P129-S132 WeakPolarHBondContact O-CB 3.45Å; P129-S132 PolarHBondContact O-N 2.91Å; P129-S132 PolarHBondContact O-OG 3.01Å | ||
| 130 | R | 88.9 | Confident | 91.3 | Very high | 150 Ų | 150 | 65.1 Ų | 65.1 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55.2 | -37.4 | 178 | -170.8 | 176.3 | -176.4 | -173.2 | 3.5 | 112.7 | L128 S132 N133 R136 | L128-R130 PolarHBondContact O-N 3.4Å; R130-S132 PolarHBondContact O-N 3.18Å; R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.09Å; R130-R136 WeakPolarHBondContact O-CD 3.44Å |
| 131 | D | 87.9 | Confident | 91.3 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -73.9 | -8.3 | -179.7 | -80.6 | -9.6 | 0 | 0 | 0 | 114.1 | R90 P129 N133 R136 | R90-D131 HydrophobicContact CG-CB 3.97Å; R90-D131 IonicContact NE-OD1 2.79Å; R90-D131 PolarHBondContact NE-OD1 3.36Å; R90-D131 IonicContact NE-OD2 3.25Å; P129-D131 PolarHBondContact O-N 3.31Å; P129-D131 VanDerWaalsContact O-N 3.14Å; D131-N133 PolarHBondContact O-N 2.8Å; D131-R136 IonicContact OD1-CZ 2.99Å; D131-R136 IonicContact OD1-NE 3.88Å; D131-R136 PolarHBondContact OD1-NE 3.31Å; D131-R136 IonicContact OD1-NH2 2.85Å; D131-R136 PolarHBondContact OD1-NH2 3.15Å |
| 132 | S | 86.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -70 | -16.2 | 167.9 | 72 | 0 | 0 | 0 | 0 | 113.4 | S94 R101 P129 R130 W134 | S94-S132 PolarHBondContact OG-O 3.07Å; R101-S132 VanDerWaalsContact CD-O 3.27Å; R101-S132 WeakPolarHBondContact CD-O 3.43Å; R101-S132 PolarHBondContact NH1-OG 2.96Å; P129-S132 WeakPolarHBondContact O-CB 3.45Å; P129-S132 PolarHBondContact O-N 2.91Å; P129-S132 PolarHBondContact O-OG 3.01Å; R130-S132 PolarHBondContact O-N 3.18Å; S132-W134 PolarHBondContact O-N 3.22Å |
| 133 | N | 92.6 | Very high | 91 | Very high | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | trans | -76.1 | 115.2 | -177.9 | -168.9 | -2.5 | 0 | 0 | 0 | 111.4 | R130 D131 T135 R136 | R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.09Å; D131-N133 PolarHBondContact O-N 2.8Å; N133-T135 VanDerWaalsContact CG-OG1 3.23Å; N133-T135 PolarHBondContact ND2-OG1 3.46Å; N133-T135 VanDerWaalsContact ND2-OG1 3.15Å; N133-T135 PolarHBondContact O-N 3.02Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 PolarHBondContact OD1-N 3.47Å; N133-T135 PolarHBondContact OD1-OG1 3.08Å; N133-R136 HydrophobicContact CB-CG 4.37Å; N133-R136 WeakPolarHBondContact O-CB 3.25Å; N133-R136 PolarHBondContact O-N 3.44Å | ||
| 134 | W | 92.4 | Very high | 90.9 | Very high | 180 Ų | 180 | 62 Ų | 62 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -55.2 | -28.8 | 179.4 | 63.3 | -76.6 | 0 | 0 | 0 | 113.9 | S132 R136 I137 | S132-W134 PolarHBondContact O-N 3.22Å; W134-R136 PolarHBondContact O-N 3.21Å; W134-R136 VanDerWaalsContact O-N 3.13Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 PolarHBondContact O-N 3.46Å; W134-I137 VanDerWaalsContact O-N 3.14Å |
| 135 | T | 95.3 | Very high | 91 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.2 | -17.2 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | N133 | N133-T135 VanDerWaalsContact CG-OG1 3.23Å; N133-T135 PolarHBondContact ND2-OG1 3.46Å; N133-T135 VanDerWaalsContact ND2-OG1 3.15Å; N133-T135 PolarHBondContact O-N 3.02Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 PolarHBondContact OD1-N 3.47Å; N133-T135 PolarHBondContact OD1-OG1 3.08Å |
| 136 | R | 94.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -85.2 | -11 | 178.8 | -63.3 | 173.8 | 62 | 73.1 | -8.1 | 113.6 | R130 D131 N133 W134 | R130-R136 WeakPolarHBondContact O-CD 3.44Å; D131-R136 IonicContact OD1-CZ 2.99Å; D131-R136 IonicContact OD1-NE 3.88Å; D131-R136 PolarHBondContact OD1-NE 3.31Å; D131-R136 IonicContact OD1-NH2 2.85Å; D131-R136 PolarHBondContact OD1-NH2 3.15Å; N133-R136 HydrophobicContact CB-CG 4.37Å; N133-R136 WeakPolarHBondContact O-CB 3.25Å; N133-R136 PolarHBondContact O-N 3.44Å; W134-R136 PolarHBondContact O-N 3.21Å; W134-R136 VanDerWaalsContact O-N 3.13Å |
| 137 | I | 93.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | trans | -75.3 | 130.8 | 177.8 | -61.3 | 172 | 0 | 0 | 0 | 108.5 | R91 W134 | R91-I137 HydrophobicContact CG-CD1 4.16Å; R91-I137 HydrophobicContact CG-CG1 4.24Å; R91-I137 HydrophobicContact CG-CG2 3.77Å; R91-I137 VanDerWaalsContact CZ-CG2 3.42Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 PolarHBondContact O-N 3.46Å; W134-I137 VanDerWaalsContact O-N 3.14Å | ||
| 138 | L | 94.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | trans | -114.6 | 142.6 | 178.9 | -64.8 | 176 | 0 | 0 | 0 | 111.3 | D87 R91 R140 R147 | D87-L138 PolarHBondContact OD1-N 2.96Å; R91-L138 PolarHBondContact NH2-O 3.38Å; L138-R140 PolarHBondContact O-N 2.81Å; L138-R140 VanDerWaalsContact O-N 3.15Å; L138-R147 HydrophobicContact CD1-CG 4.4Å | ||
| 139 | S | 93.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | trans | -73.7 | 103.7 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | C150 | S139-C150 PolarHBondContact O-SG 3.35Š| ||
| 140 | R | 93.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 13% | 0.125 | 33% | 0.33 | C | S | . | . | trans | -103.2 | 154.3 | 177.1 | -67.9 | -175.6 | 176.3 | -85 | -7.2 | 111.2 | I83 L138 I142 S145 R146 | I83-R140 VanDerWaalsContact CG2-CZ 3.41Å; L138-R140 PolarHBondContact O-N 2.81Å; L138-R140 VanDerWaalsContact O-N 3.15Å; R140-I142 PolarHBondContact O-N 3.06Å; R140-S145 PolarHBondContact NH1-O 3.38Å; R140-R146 WeakPolarHBondContact CA-O 3.37Å | ||
| 141 | C | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -63.3 | 129.5 | 167.3 | -175 | 0 | 0 | 0 | 0 | 109.3 | V143 T144 S145 R146 C150 S157 | C141-V143 VanDerWaalsContact C-N 3.29Å; C141-V143 PolarHBondContact O-N 2.9Å; C141-T144 WeakPolarHBondContact CB-OG1 3.49Å; C141-T144 PolarHBondContact SG-N 3.31Å; C141-T144 PolarHBondContact SG-OG1 3.23Å; C141-S145 VanDerWaalsContact O-CA 3.28Å; C141-S145 WeakPolarHBondContact O-CA 3.45Å; C141-S145 PolarHBondContact O-N 2.81Å; C141-R146 HydrophobicContact CB-CB 4.08Å; C141-R146 PolarHBondContact N-O 3.31Å; C141-R146 VanDerWaalsContact N-O 3.07Å; C141-C150 PolarHBondContact N-SG 3.42Å; C141-S157 PolarHBondContact SG-N 3.22Å | ||
| 142 | I | 91.5 | Very high | 93.1 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 48% | 0.482 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -36.8 | 177.1 | -65 | 169.6 | 0 | 0 | 0 | 111.3 | M84 R140 K155 | M84-I142 VanDerWaalsContact CE-O 3.25Å; M84-I142 WeakPolarHBondContact CE-O 3.49Å; R140-I142 PolarHBondContact O-N 3.06Å; I142-K155 HydrophobicContact CD1-CB 3.41Å; I142-K155 VanDerWaalsContact CD1-CB 3.41Å; I142-K155 HydrophobicContact CD1-CD 3.94Å; I142-K155 HydrophobicContact CD1-CG 4.32Å; I142-K155 HydrophobicContact CG1-CB 3.92Å; I142-K155 WeakPolarHBondContact CG1-O 3.2Å; I142-K155 PolarHBondContact N-O 2.81Å; I142-K155 VanDerWaalsContact N-O 3.08Å |
| 143 | V | 89.7 | Confident | 93.5 | Very high | 61 Ų | 61 | 81 Ų | 81 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -48.3 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | C141 I160 | C141-V143 VanDerWaalsContact C-N 3.29Å; C141-V143 PolarHBondContact O-N 2.9Å; V143-I160 HydrophobicContact CG1-CD1 4.47Å; V143-I160 HydrophobicContact CG2-CG2 4.28Å |
| 144 | T | 90.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 83.8 Ų | 83.8 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 4.8 | -167 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | C141 R146 I160 | C141-T144 WeakPolarHBondContact CB-OG1 3.49Å; C141-T144 PolarHBondContact SG-N 3.31Å; C141-T144 PolarHBondContact SG-OG1 3.23Å; T144-R146 PolarHBondContact O-N 2.85Å; T144-I160 HydrophobicContact CG2-CD1 3.88Å; T144-I160 HydrophobicContact CG2-CG1 3.81Å |
| 145 | S | 92.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | trans | 54 | 8 | -175.1 | 44.8 | 0 | 0 | 0 | 0 | 117.3 | Q80 D81 R140 C141 R147 | Q80-S145 WeakPolarHBondContact CB-OG 3.48Å; D81-S145 WeakPolarHBondContact CB-OG 3.41Å; D81-S145 PolarHBondContact OD2-OG 3.28Å; R140-S145 PolarHBondContact NH1-O 3.38Å; C141-S145 VanDerWaalsContact O-CA 3.28Å; C141-S145 WeakPolarHBondContact O-CA 3.45Å; C141-S145 PolarHBondContact O-N 2.81Å; S145-R147 PolarHBondContact O-N 3.32Å | ||
| 146 | R | 92.8 | Very high | 93.6 | Very high | 76 Ų | 76 | 78 Ų | 78 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | trans | -52.2 | 130.1 | 177.5 | -167.4 | -179 | -167.1 | -120.9 | 7.9 | 110.6 | R140 C141 T144 R148 C150 | R140-R146 WeakPolarHBondContact CA-O 3.37Å; C141-R146 HydrophobicContact CB-CB 4.08Å; C141-R146 PolarHBondContact N-O 3.31Å; C141-R146 VanDerWaalsContact N-O 3.07Å; T144-R146 PolarHBondContact O-N 2.85Å; R146-R148 PolarHBondContact NH1-O 3.13Å; R146-C150 PolarHBondContact O-SG 3.39Å | ||
| 147 | R | 94.4 | Very high | 93.6 | Very high | 147 Ų | 147 | 74.6 Ų | 74.6 | 56% | 0.555 | 36% | 0.355 | S | S | * | . | trans | -76.4 | -39.1 | -176.9 | -178.7 | -177.5 | 176 | -168 | -0 | 113.7 | L138 S145 | L138-R147 HydrophobicContact CD1-CG 4.4Å; S145-R147 PolarHBondContact O-N 3.32Å | ||
| 148 | R | 95.8 | Very high | 93.8 | Very high | 183 Ų | 183 | 79.4 Ų | 79.4 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -109.2 | 153 | -169.8 | -63.9 | -176.2 | -174.8 | 142.3 | -1.6 | 112 | R146 C150 | R146-R148 PolarHBondContact NH1-O 3.13Å; R148-C150 VanDerWaalsContact C-N 3.35Å |
| 149 | G | 95.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 63.9 | 40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S157 R158 | G149-S157 CarbonylContact O-C 3.33Å; G149-R158 PolarHBondContact O-N 2.95Å |
| 150 | C | 95.7 | Very high | 94 | Very high | 20 Ų | 20 | 79.4 Ų | 79.4 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.4 | 172.2 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | S139 C141 R146 R148 V156 | S139-C150 PolarHBondContact O-SG 3.35Å; C141-C150 PolarHBondContact N-SG 3.42Å; R146-C150 PolarHBondContact O-SG 3.39Å; R148-C150 VanDerWaalsContact C-N 3.35Å; C150-V156 CarbonylContact C-O 3.54Å; C150-V156 WeakPolarHBondContact CA-O 3.25Å |
| 151 | K | 94.5 | Very high | 94.1 | Very high | 106 Ų | 106 | 80.6 Ų | 80.6 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 115 | 175 | -62.5 | -66.2 | -173.6 | 173.5 | 0 | 108.6 | R153 W154 K155 V156 W161 | K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 2.98Å; K151-W154 HydrophobicContact CB-CE3 3.69Å; K151-W154 HydrophobicContact CB-CZ3 4.12Å; K151-W154 HydrophobicContact CG-CE3 4.41Å; K151-W154 PolarHBondContact O-N 3.4Å; K151-K155 WeakPolarHBondContact O-CA 3.36Å; K151-K155 PolarHBondContact O-N 2.8Å; K151-V156 PolarHBondContact N-O 3.29Å; K151-W161 HydrophobicContact CG-CG 4.43Å |
| 152 | T | 93.3 | Very high | 94.2 | Very high | 113 Ų | 113 | 87.9 Ų | 87.9 | 69% | 0.693 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -39.4 | -170.8 | -48.3 | 0 | 0 | 0 | 0 | 113.4 | W154 K155 | T152-W154 PolarHBondContact O-N 3.02Å; T152-K155 WeakPolarHBondContact O-CG 3.5Å; T152-K155 PolarHBondContact O-N 3.28Å |
| 153 | R | 94.5 | Very high | 94.4 | Very high | 219 Ų | 219 | 89 Ų | 89 | 83% | 0.826 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -46.5 | 178.6 | -178.8 | 174.4 | 178.4 | 147.2 | -1.1 | 112.8 | K151 | K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 2.98Å |
| 154 | W | 93.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 89.7 Ų | 89.7 | 39% | 0.386 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -9.6 | -178.6 | -57.2 | -85.2 | 0 | 0 | 0 | 113.6 | K151 T152 V156 W161 | K151-W154 HydrophobicContact CB-CE3 3.69Å; K151-W154 HydrophobicContact CB-CZ3 4.12Å; K151-W154 HydrophobicContact CG-CE3 4.41Å; K151-W154 PolarHBondContact O-N 3.4Å; T152-W154 PolarHBondContact O-N 3.02Å; W154-V156 HydrophobicContact CB-CB 4.48Å; W154-V156 HydrophobicContact CB-CG2 4.42Å; W154-V156 WeakPolarHBondContact O-CG2 3.36Å; W154-V156 PolarHBondContact O-N 3.29Å; W154-W161 AromaticContact CD2-CD1 3.72Å; W154-W161 AromaticContact CD2-NE1 3.4Å; W154-W161 AromaticContact CE2-NE1 3.66Å; W154-W161 AromaticContact CE3-CD1 3.54Å; W154-W161 AromaticContact CE3-NE1 3.18Å; W154-W161 HydrophobicContact CH2-CZ2 4.09Å; W154-W161 AromaticContact CH2-NE1 3.54Å; W154-W161 AromaticContact CZ2-NE1 3.73Å; W154-W161 AromaticContact CZ3-CE2 3.94Å; W154-W161 HydrophobicContact CZ3-CZ2 4.32Å; W154-W161 AromaticContact CZ3-NE1 3.26Å; W154-W161 VanDerWaalsContact CZ3-NE1 3.26Å |
| 155 | K | 94.3 | Very high | 95 | Very high | 133 Ų | 133 | 87.7 Ų | 87.7 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 31 | -176 | -57.1 | 175.2 | -178.6 | 172.1 | 0 | 113.9 | I142 K151 T152 | I142-K155 HydrophobicContact CD1-CB 3.41Å; I142-K155 VanDerWaalsContact CD1-CB 3.41Å; I142-K155 HydrophobicContact CD1-CD 3.94Å; I142-K155 HydrophobicContact CD1-CG 4.32Å; I142-K155 HydrophobicContact CG1-CB 3.92Å; I142-K155 WeakPolarHBondContact CG1-O 3.2Å; I142-K155 PolarHBondContact N-O 2.81Å; I142-K155 VanDerWaalsContact N-O 3.08Å; K151-K155 WeakPolarHBondContact O-CA 3.36Å; K151-K155 PolarHBondContact O-N 2.8Å; T152-K155 WeakPolarHBondContact O-CG 3.5Å; T152-K155 PolarHBondContact O-N 3.28Å |
| 156 | V | 93.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 91 Ų | 91 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.9 | -176 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | C150 K151 W154 I160 W161 | C150-V156 CarbonylContact C-O 3.54Å; C150-V156 WeakPolarHBondContact CA-O 3.25Å; K151-V156 PolarHBondContact N-O 3.29Å; W154-V156 HydrophobicContact CB-CB 4.48Å; W154-V156 HydrophobicContact CB-CG2 4.42Å; W154-V156 WeakPolarHBondContact O-CG2 3.36Å; W154-V156 PolarHBondContact O-N 3.29Å; V156-I160 HydrophobicContact CG1-CB 3.34Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; V156-I160 HydrophobicContact CG1-CG2 3.31Å; V156-W161 HydrophobicContact CG1-CB 4.44Å |
| 157 | S | 95.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 95 Ų | 95 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 154.3 | 174.7 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | C141 G149 I159 I160 W161 | C141-S157 PolarHBondContact SG-N 3.22Å; G149-S157 CarbonylContact O-C 3.33Å; S157-I159 PolarHBondContact O-N 2.83Å; S157-I160 PolarHBondContact O-N 3.35Å; S157-I160 PolarHBondContact OG-N 2.85Å; S157-W161 VanDerWaalsContact O-CB 3.25Å; S157-W161 WeakPolarHBondContact O-CB 3.41Å; S157-W161 PolarHBondContact O-N 3.04Å |
| 158 | R | 96.6 | Very high | 95.3 | Very high | 146 Ų | 146 | 94.2 Ų | 94.2 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -52.9 | -30.3 | 175.5 | 72 | -178.9 | -173.1 | 173.8 | 3.1 | 114.2 | G149 R162 | G149-R158 PolarHBondContact O-N 2.95Å; R158-R162 WeakPolarHBondContact O-CB 3.12Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.48Å |
| 159 | I | 96.1 | Very high | 95.3 | Very high | 100 Ų | 100 | 94.1 Ų | 94.1 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.9 | -52.2 | -177.6 | -57.9 | 170.8 | 0 | 0 | 0 | 109.4 | S157 W161 R162 K163 | S157-I159 PolarHBondContact O-N 2.83Å; I159-W161 VanDerWaalsContact C-N 3.33Å; I159-R162 PolarHBondContact O-N 3Å; I159-K163 PolarHBondContact O-N 3.04Å |
| 160 | I | 94.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 93.4 Ų | 93.4 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 178.2 | -58.9 | -63.6 | 0 | 0 | 0 | 110.8 | V143 T144 V156 S157 K163 Y164 | V143-I160 HydrophobicContact CG1-CD1 4.47Å; V143-I160 HydrophobicContact CG2-CG2 4.28Å; T144-I160 HydrophobicContact CG2-CD1 3.88Å; T144-I160 HydrophobicContact CG2-CG1 3.81Å; V156-I160 HydrophobicContact CG1-CB 3.34Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; V156-I160 HydrophobicContact CG1-CG2 3.31Å; S157-I160 PolarHBondContact O-N 3.35Å; S157-I160 PolarHBondContact OG-N 2.85Å; I160-K163 PolarHBondContact O-N 3.13Å; I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE1 4.42Å; I160-Y164 HydrophobicContact CG2-CE2 3.36Å; I160-Y164 HydrophobicContact CG2-CG 4.48Å; I160-Y164 PolarHBondContact O-N 3.29Å |
| 161 | W | 96.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 22% | 0.22 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 175.2 | -175.9 | 88.1 | 0 | 0 | 0 | 111.3 | K151 W154 V156 S157 I159 Y164 A165 M170 V173 | K151-W161 HydrophobicContact CG-CG 4.43Å; W154-W161 AromaticContact CD2-CD1 3.72Å; W154-W161 AromaticContact CD2-NE1 3.4Å; W154-W161 AromaticContact CE2-NE1 3.66Å; W154-W161 AromaticContact CE3-CD1 3.54Å; W154-W161 AromaticContact CE3-NE1 3.18Å; W154-W161 HydrophobicContact CH2-CZ2 4.09Å; W154-W161 AromaticContact CH2-NE1 3.54Å; W154-W161 AromaticContact CZ2-NE1 3.73Å; W154-W161 AromaticContact CZ3-CE2 3.94Å; W154-W161 HydrophobicContact CZ3-CZ2 4.32Å; W154-W161 AromaticContact CZ3-NE1 3.26Å; W154-W161 VanDerWaalsContact CZ3-NE1 3.26Å; V156-W161 HydrophobicContact CG1-CB 4.44Å; S157-W161 VanDerWaalsContact O-CB 3.25Å; S157-W161 WeakPolarHBondContact O-CB 3.41Å; S157-W161 PolarHBondContact O-N 3.04Å; I159-W161 VanDerWaalsContact C-N 3.33Å; W161-Y164 PolarHBondContact O-N 3.21Å; W161-A165 HydrophobicContact CZ3-CB 4.4Å; W161-A165 WeakPolarHBondContact O-CB 3.26Å; W161-A165 PolarHBondContact O-N 3.38Å; W161-M170 HydrophobicContact CD2-CE 4.08Å; W161-M170 HydrophobicContact CG-CE 4.16Å; W161-M170 HydrophobicContact CZ2-CE 4.22Å; W161-M170 VanDerWaalsContact O-CE 3.26Å; W161-M170 WeakPolarHBondContact O-CE 3.48Å; W161-V173 HydrophobicContact CH2-CG1 4.08Å; W161-V173 HydrophobicContact CZ2-CG1 3.94Å |
| 162 | R | 96.5 | Very high | 95.1 | Very high | 152 Ų | 152 | 97.1 Ų | 97.1 | 57% | 0.574 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.7 | -46.7 | 174 | -80.3 | -172 | 64.8 | 175.9 | -0.5 | 111.7 | R158 I159 Y164 A165 D166 | R158-R162 WeakPolarHBondContact O-CB 3.12Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.48Å; I159-R162 PolarHBondContact O-N 3Å; R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.46Å; R162-A165 PolarHBondContact O-N 3.06Å; R162-D166 WeakPolarHBondContact O-CB 3.44Å; R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 3.38Å |
| 163 | K | 95.8 | Very high | 95.2 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52.9 | -47 | 175.6 | -173.7 | 174.2 | -178.3 | 173.8 | 0 | 111.3 | I159 I160 Y167 | I159-K163 PolarHBondContact O-N 3.04Å; I160-K163 PolarHBondContact O-N 3.13Å; K163-Y167 HydrophobicContact CG-CD2 3.89Å; K163-Y167 HydrophobicContact CG-CE2 3.97Å; K163-Y167 WeakPolarHBondContact O-CD2 3.44Å; K163-Y167 PolarHBondContact O-N 3.32Å |
| 164 | Y | 95.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 89.6 Ų | 89.6 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.5 | -30.9 | 178.2 | -66 | -29.8 | 0 | 0 | 0 | 114 | I160 W161 R162 R169 | I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE1 4.42Å; I160-Y164 HydrophobicContact CG2-CE2 3.36Å; I160-Y164 HydrophobicContact CG2-CG 4.48Å; I160-Y164 PolarHBondContact O-N 3.29Å; W161-Y164 PolarHBondContact O-N 3.21Å; R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.46Å; Y164-R169 HydrophobicContact CD1-CB 4.4Å; Y164-R169 PolarHBondContact O-N 3.25Å |
| 165 | A | 96.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 94.3 Ų | 94.3 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70 | -50.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W161 R162 Y167 N168 M170 V173 | W161-A165 HydrophobicContact CZ3-CB 4.4Å; W161-A165 WeakPolarHBondContact O-CB 3.26Å; W161-A165 PolarHBondContact O-N 3.38Å; R162-A165 PolarHBondContact O-N 3.06Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.45Å; A165-N168 PolarHBondContact O-N 3Å; A165-M170 HydrophobicContact CB-CE 3.49Å; A165-M170 VanDerWaalsContact CB-CE 3.49Å; A165-V173 HydrophobicContact CB-CG1 3.71Å |
| 166 | D | 96.2 | Very high | 95 | Very high | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | -174 | -64.1 | -24.5 | 0 | 0 | 0 | 111.7 | R162 N168 | R162-D166 WeakPolarHBondContact O-CB 3.44Å; R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 3.38Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.13Å |
| 167 | Y | 96.1 | Very high | 94.5 | Very high | 162 Ų | 162 | 101.8 Ų | 101.8 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 19.5 | 174.2 | -65.7 | -67.9 | 0 | 0 | 0 | 113.5 | K163 A165 R169 | K163-Y167 HydrophobicContact CG-CD2 3.89Å; K163-Y167 HydrophobicContact CG-CE2 3.97Å; K163-Y167 WeakPolarHBondContact O-CD2 3.44Å; K163-Y167 PolarHBondContact O-N 3.32Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.45Å; Y167-R169 WeakPolarHBondContact O-CG 3.18Å; Y167-R169 PolarHBondContact O-N 3.22Å |
| 168 | N | 94.4 | Very high | 93.9 | Very high | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 32.6 | 176.6 | -63.6 | -29.3 | 0 | 0 | 0 | 114.6 | A165 D166 M170 | A165-N168 PolarHBondContact O-N 3Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.13Å; N168-M170 VanDerWaalsContact C-N 3.34Å |
| 169 | R | 94.9 | Very high | 92.4 | Very high | 181 Ų | 181 | 108.4 Ų | 108.4 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | trans | -86.6 | -5.3 | 177.5 | -59.2 | -167.7 | -176.4 | -168.9 | -2.9 | 113.3 | Y164 Y167 | Y164-R169 HydrophobicContact CD1-CB 4.4Å; Y164-R169 PolarHBondContact O-N 3.25Å; Y167-R169 WeakPolarHBondContact O-CG 3.18Å; Y167-R169 PolarHBondContact O-N 3.22Å | ||
| 170 | M | 93.5 | Very high | 90.4 | Very high | 28 Ų | 28 | 107.5 Ų | 107.5 | 14% | 0.138 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -113.5 | 125.5 | 175.4 | -67.6 | -169.3 | -69.4 | 0 | 0 | 109.7 | W161 A165 N168 V173 | W161-M170 HydrophobicContact CD2-CE 4.08Å; W161-M170 HydrophobicContact CG-CE 4.16Å; W161-M170 HydrophobicContact CZ2-CE 4.22Å; W161-M170 VanDerWaalsContact O-CE 3.26Å; W161-M170 WeakPolarHBondContact O-CE 3.48Å; A165-M170 HydrophobicContact CB-CE 3.49Å; A165-M170 VanDerWaalsContact CB-CE 3.49Å; N168-M170 VanDerWaalsContact C-N 3.34Å; M170-V173 HydrophobicContact CB-CB 4Å; M170-V173 HydrophobicContact CB-CG2 3.62Å; M170-V173 HydrophobicContact CE-CB 4.28Å; M170-V173 HydrophobicContact CE-CG1 4.06Å; M170-V173 HydrophobicContact CE-CG2 4.03Å; M170-V173 HydrophobicContact SD-CG2 4.28Å |
| 171 | S | 94.9 | Very high | 88.4 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 135.8 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | V173 | S171-V173 PolarHBondContact O-N 3.01Å; S171-V173 VanDerWaalsContact O-N 3.13Å |
| 172 | G | 94.1 | Very high | 86.2 | Confident | 80 Ų | 80 | 111.4 Ų | 111.4 | 83% | 0.825 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | -0.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L174 | G172-L174 PolarHBondContact O-N 3.28Š|
| 173 | V | 95.1 | Very high | 84 | Confident | 29 Ų | 29 | 113 Ų | 113 | 18% | 0.176 | 57% | 0.57 | C | S | . | * | trans | -85.4 | 102.7 | 175.7 | -178 | 0 | 0 | 0 | 0 | 108.6 | W161 A165 M170 S171 | W161-V173 HydrophobicContact CH2-CG1 4.08Å; W161-V173 HydrophobicContact CZ2-CG1 3.94Å; A165-V173 HydrophobicContact CB-CG1 3.71Å; M170-V173 HydrophobicContact CB-CB 4Å; M170-V173 HydrophobicContact CB-CG2 3.62Å; M170-V173 HydrophobicContact CE-CB 4.28Å; M170-V173 HydrophobicContact CE-CG1 4.06Å; M170-V173 HydrophobicContact CE-CG2 4.03Å; M170-V173 HydrophobicContact SD-CG2 4.28Å; S171-V173 PolarHBondContact O-N 3.01Å; S171-V173 VanDerWaalsContact O-N 3.13Å | ||
| 174 | L | 93.3 | Very high | 82 | Confident | 145 Ų | 145 | 110.9 Ų | 110.9 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | trans | -110.3 | 163.1 | 174.6 | -63.3 | 175.2 | 0 | 0 | 0 | 110.1 | G172 A176 | G172-L174 PolarHBondContact O-N 3.28Å; L174-A176 PolarHBondContact O-N 3.13Å | ||
| 175 | W | 92.9 | Very high | 80.1 | Confident | 202 Ų | 202 | 108.9 Ų | 108.9 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | trans | -64.7 | 130.2 | 169.3 | -74.7 | 41.5 | 0 | 0 | 0 | 108.5 | R177 | W175-R177 PolarHBondContact O-N 3.48Š| ||
| 176 | A | 91.1 | Very high | 78.3 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | trans | -65.8 | 113.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L174 W178 | L174-A176 PolarHBondContact O-N 3.13Å; A176-W178 HydrophobicContact CB-CH2 3.45Å; A176-W178 VanDerWaalsContact CB-CH2 3.45Å; A176-W178 HydrophobicContact CB-CZ2 3.6Å; A176-W178 HydrophobicContact CB-CZ3 3.98Å | ||
| 177 | R | 84.9 | Confident | 76.5 | Confident | 233 Ų | 233 | 120.2 Ų | 120.2 | 88% | 0.879 | 60% | 0.602 | S | S | * | * | trans | -116.8 | 118.2 | 175.4 | -171.4 | -179.2 | -165.9 | -170.3 | 4.7 | 107.5 | W175 | W175-R177 PolarHBondContact O-N 3.48Š| ||
| 178 | W | 82.3 | Confident | 75.1 | Confident | 217 Ų | 217 | 118.8 Ų | 118.8 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | trans | -92.7 | 111.7 | 171.2 | -19.6 | 101.4 | 0 | 0 | 0 | 106 | A176 S180 | A176-W178 HydrophobicContact CB-CH2 3.45Å; A176-W178 VanDerWaalsContact CB-CH2 3.45Å; A176-W178 HydrophobicContact CB-CZ2 3.6Å; A176-W178 HydrophobicContact CB-CZ3 3.98Å; W178-S180 PolarHBondContact O-N 3.04Å; W178-S180 VanDerWaalsContact O-N 3.13Å | ||
| 179 | G | 65 | Low | 74.2 | Confident | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | trans | -72.2 | 98.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | N181 | G179-N181 PolarHBondContact O-N 3.19Š| ||
| 180 | S | 54.4 | Low | 73.4 | Confident | 82 Ų | 82 | 111.4 Ų | 111.4 | 57% | 0.573 | 57% | 0.573 | S | S | * | * | trans | -79.6 | 97.9 | 160.7 | 74.4 | 0 | 0 | 0 | 0 | 105.5 | W178 T182 | W178-S180 PolarHBondContact O-N 3.04Å; W178-S180 VanDerWaalsContact O-N 3.13Å; S180-T182 WeakPolarHBondContact CB-OG1 3.48Å; S180-T182 CarbonylContact O-C 3.56Å; S180-T182 PolarHBondContact O-N 3.06Å; S180-T182 PolarHBondContact OG-O 3.42Å | ||
| 181 | N | 52.9 | Low | 72.6 | Confident | 114 Ų | 114 | 119.7 Ų | 119.7 | 61% | 0.61 | 60% | 0.603 | S | S | * | * | trans | -59.9 | -8.3 | 167.5 | -84.9 | -5.7 | 0 | 0 | 0 | 111.6 | G179 R183 D212 | G179-N181 PolarHBondContact O-N 3.19Å; N181-R183 PolarHBondContact O-N 3.05Å; N181-D212 PolarHBondContact ND2-OD2 2.81Å | ||
| 182 | T | 49.3 | Very low | 72 | Confident | 50 Ų | 50 | 118.5 Ų | 118.5 | 31% | 0.307 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -58.2 | 89 | 147.2 | 33.4 | 0 | 0 | 0 | 0 | 109.1 | S180 S184 R186 | S180-T182 WeakPolarHBondContact CB-OG1 3.48Å; S180-T182 CarbonylContact O-C 3.56Å; S180-T182 PolarHBondContact O-N 3.06Å; S180-T182 PolarHBondContact OG-O 3.42Å; T182-S184 PolarHBondContact O-N 3.18Å; T182-R186 HydrophobicContact CG2-CB 4.03Å |
| 183 | R | 51 | Low | 71.5 | Confident | 185 Ų | 185 | 115.9 Ų | 115.9 | 70% | 0.698 | 56% | 0.561 | S | S | * | * | trans | -36.8 | 122.2 | 137 | -82.2 | -175.3 | 178.3 | -162.1 | 0.6 | 105.7 | N181 V185 R186 | N181-R183 PolarHBondContact O-N 3.05Å; R183-V185 HydrophobicContact CB-CB 3.95Å; R183-V185 HydrophobicContact CB-CG2 3.64Å; R183-V185 HydrophobicContact CG-CG2 4.5Å; R183-V185 WeakPolarHBondContact O-CA 3.32Å; R183-V185 PolarHBondContact O-N 3.05Å; R183-R186 PolarHBondContact O-N 3.24Å | ||
| 184 | S | 53.4 | Low | 71.1 | Confident | 75 Ų | 75 | 117 Ų | 117 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -46 | -21.5 | -179.7 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | T182 R186 R187 H188 | T182-S184 PolarHBondContact O-N 3.18Å; S184-R186 PolarHBondContact O-N 3.21Å; S184-R187 WeakPolarHBondContact O-CA 3.38Å; S184-R187 WeakPolarHBondContact O-CB 3.45Å; S184-R187 PolarHBondContact O-N 2.72Å; S184-H188 WeakPolarHBondContact CB-NE2 3.4Å; S184-H188 PolarHBondContact O-CD2 2.82Å; S184-H188 PolarHBondContact O-N 3.34Å; S184-H188 PolarHBondContact OG-CD2 3.2Å; S184-H188 PolarHBondContact OG-NE2 3.35Å |
| 185 | V | 55.4 | Low | 70.7 | Confident | 32 Ų | 32 | 122.4 Ų | 122.4 | 19% | 0.194 | 58% | 0.579 | C | S | . | * | G | 310 helix | trans | -35.7 | -37 | 166.2 | -166.8 | 0 | 0 | 0 | 0 | 115 | R183 H188 M189 | R183-V185 HydrophobicContact CB-CB 3.95Å; R183-V185 HydrophobicContact CB-CG2 3.64Å; R183-V185 HydrophobicContact CG-CG2 4.5Å; R183-V185 WeakPolarHBondContact O-CA 3.32Å; R183-V185 PolarHBondContact O-N 3.05Å; V185-H188 PolarHBondContact N-CD2 2.83Å; V185-H188 CarbonylContact O-C 3.53Å; V185-H188 VanDerWaalsContact O-C 3.3Å; V185-H188 WeakPolarHBondContact O-CA 3.43Å; V185-H188 PolarHBondContact O-N 2.78Å; V185-H188 VanDerWaalsContact O-N 3.07Å; V185-M189 WeakPolarHBondContact O-CG 3.45Å; V185-M189 PolarHBondContact O-N 3.29Å |
| 186 | R | 59 | Low | 70.4 | Confident | 81 Ų | 81 | 121.9 Ų | 121.9 | 31% | 0.306 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -68.9 | -36 | 174.4 | -167.6 | 176.6 | 178.5 | 172.4 | -1.7 | 112.9 | T182 R183 S184 H188 M189 Y206 | T182-R186 HydrophobicContact CG2-CB 4.03Å; R183-R186 PolarHBondContact O-N 3.24Å; S184-R186 PolarHBondContact O-N 3.21Å; R186-H188 PolarHBondContact O-N 3.05Å; R186-M189 PolarHBondContact O-N 3.16Å; R186-Y206 VanDerWaalsContact NH2-CZ 3.32Å; R186-Y206 PolarHBondContact NH2-OH 3.04Å |
| 187 | R | 59.5 | Low | 70 | Confident | 237 Ų | 237 | 120.4 Ų | 120.4 | 89% | 0.894 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -21.4 | 168.8 | -80.3 | -174.9 | -178.3 | -176.5 | 0.5 | 112.4 | S184 | S184-R187 WeakPolarHBondContact O-CA 3.38Å; S184-R187 WeakPolarHBondContact O-CB 3.45Å; S184-R187 PolarHBondContact O-N 2.72Å |
| 188 | H | 66.2 | Low | 70.3 | Confident | 132 Ų | 132 | 112 Ų | 112 | 61% | 0.611 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4.3 | 177.7 | -53.1 | -59.5 | 0 | 0 | 0 | 113.3 | S184 V185 R186 | S184-H188 WeakPolarHBondContact CB-NE2 3.4Å; S184-H188 PolarHBondContact O-CD2 2.82Å; S184-H188 PolarHBondContact O-N 3.34Å; S184-H188 PolarHBondContact OG-CD2 3.2Å; S184-H188 PolarHBondContact OG-NE2 3.35Å; V185-H188 PolarHBondContact N-CD2 2.83Å; V185-H188 CarbonylContact O-C 3.53Å; V185-H188 VanDerWaalsContact O-C 3.3Å; V185-H188 WeakPolarHBondContact O-CA 3.43Å; V185-H188 PolarHBondContact O-N 2.78Å; V185-H188 VanDerWaalsContact O-N 3.07Å; R186-H188 PolarHBondContact O-N 3.05Å |
| 189 | M | 75.6 | Confident | 70.5 | Confident | 31 Ų | 31 | 106 Ų | 106 | 15% | 0.153 | 53% | 0.533 | C | S | . | . | trans | -85.7 | 114.5 | 174.2 | -91 | -178.8 | 164.3 | 0 | 0 | 109.1 | V185 R186 Y202 R205 Y206 | V185-M189 WeakPolarHBondContact O-CG 3.45Å; V185-M189 PolarHBondContact O-N 3.29Å; R186-M189 PolarHBondContact O-N 3.16Å; M189-Y202 WeakPolarHBondContact CA-OH 3.44Å; M189-Y202 WeakPolarHBondContact CB-OH 3.42Å; M189-Y202 HydrophobicContact CE-CE2 4.5Å; M189-Y202 HydrophobicContact CG-CE2 4.21Å; M189-Y202 WeakPolarHBondContact CG-OH 3.13Å; M189-R205 HydrophobicContact CE-CB 3.58Å; M189-R205 VanDerWaalsContact CE-CD 3.47Å; M189-R205 HydrophobicContact CE-CG 3.36Å; M189-Y206 HydrophobicContact SD-CD2 4.24Å | ||
| 190 | L | 76.7 | Confident | 71.6 | Confident | 124 Ų | 124 | 107 Ų | 107 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | trans | -86.4 | 144.8 | 178.6 | -70.6 | 150.4 | 0 | 0 | 0 | 111.2 | P192 Y202 | L190-P192 CarbonylContact C-O 3.58Å; L190-P192 CarbonylContact O-C 3.12Å; L190-Y202 PolarHBondContact N-OH 3.29Å; L190-Y202 VanDerWaalsContact O-CZ 3.26Å; L190-Y202 PolarHBondContact O-OH 2.99Å | ||
| 191 | W | 77.1 | Confident | 73.1 | Confident | 201 Ų | 201 | 108.5 Ų | 108.5 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -116.5 | 128.3 | 168.7 | -172.3 | -103.2 | 0 | 0 | 0 | 108.9 | P193 Y202 | W191-P193 HydrophobicContact CE3-CG 4.2Å; W191-P193 HydrophobicContact CZ3-CG 3.82Å; W191-Y202 HydrophobicContact CE3-CE1 4.38Å |
| 192 | P | 82.3 | Confident | 74.7 | Confident | 98 Ų | 98 | 104 Ų | 104 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | S | Bend | cis | -71.3 | 165.7 | 1.2 | 29.9 | -35.5 | 0 | 0 | 0 | 114.2 | L190 | L190-P192 CarbonylContact C-O 3.58Å; L190-P192 CarbonylContact O-C 3.12Å |
| 193 | P | 84.8 | Confident | 76.4 | Confident | 26 Ų | 26 | 104.1 Ų | 104.1 | 17% | 0.169 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 141.6 | 176.7 | -20.2 | 31.6 | 0 | 0 | 0 | 111.5 | W191 R195 Y202 | W191-P193 HydrophobicContact CE3-CG 4.2Å; W191-P193 HydrophobicContact CZ3-CG 3.82Å; P193-R195 PolarHBondContact O-N 3.15Å; P193-Y202 HydrophobicContact CB-CD1 3.84Å; P193-Y202 HydrophobicContact CB-CD2 3.91Å; P193-Y202 HydrophobicContact CB-CE1 4.26Å; P193-Y202 HydrophobicContact CB-CE2 4.36Å; P193-Y202 HydrophobicContact CB-CG 3.65Å; P193-Y202 HydrophobicContact CG-CD1 3.64Å; P193-Y202 HydrophobicContact CG-CE1 4.08Å; P193-Y202 HydrophobicContact CG-CG 3.94Å |
| 194 | P | 86.3 | Confident | 78 | Confident | 53 Ų | 53 | 104.8 Ų | 104.8 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 139.4 | 171.6 | -21.6 | 31.9 | 0 | 0 | 0 | 110.8 | E196 T197 | P194-E196 PolarHBondContact O-N 3.5Å; P194-T197 PolarHBondContact O-N 3.32Å; P194-T197 PolarHBondContact O-OG1 3.39Å; P194-T197 VanDerWaalsContact O-OG1 3.04Å |
| 195 | R | 84.3 | Confident | 79.1 | Confident | 258 Ų | 258 | 107.3 Ų | 107.3 | 97% | 0.974 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.2 | -176.2 | -65.3 | -175.1 | -129.8 | -113.6 | 1.4 | 113.9 | P193 T197 | P193-R195 PolarHBondContact O-N 3.15Å; R195-T197 VanDerWaalsContact C-N 3.28Å; R195-T197 PolarHBondContact O-N 2.94Å |
| 196 | E | 86.5 | Confident | 80.1 | Confident | 190 Ų | 190 | 110 Ų | 110 | 89% | 0.888 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.8 | -179.9 | -64.7 | 159.3 | -159.3 | 0 | 0 | 113.2 | P194 | P194-E196 PolarHBondContact O-N 3.5Š|
| 197 | T | 83.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 111.5 Ų | 111.5 | 25% | 0.252 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -107.7 | 136.8 | -176.3 | 9.5 | 0 | 0 | 0 | 0 | 111.1 | P194 R195 V199 | P194-T197 PolarHBondContact O-N 3.32Å; P194-T197 PolarHBondContact O-OG1 3.39Å; P194-T197 VanDerWaalsContact O-OG1 3.04Å; R195-T197 VanDerWaalsContact C-N 3.28Å; R195-T197 PolarHBondContact O-N 2.94Å; T197-V199 PolarHBondContact O-N 2.86Å |
| 198 | S | 89.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 109 Ų | 109 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | trans | -63.1 | 138.3 | 170.7 | 75.5 | 0 | 0 | 0 | 0 | 110.3 | S200 E201 Y202 | S198-S200 PolarHBondContact O-N 3.07Å; S198-S200 PolarHBondContact OG-OG 3.14Å; S198-E201 PolarHBondContact O-N 2.78Å; S198-E201 WeakPolarHBondContact OG-CB 3.36Å; S198-E201 PolarHBondContact OG-N 2.87Å; S198-Y202 WeakPolarHBondContact O-CB 3.47Å; S198-Y202 PolarHBondContact O-N 2.86Å | ||
| 199 | V | 87.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58 | -39 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | T197 Y202 V203 | T197-V199 PolarHBondContact O-N 2.86Å; V199-Y202 PolarHBondContact O-N 2.95Å; V199-V203 HydrophobicContact CG1-CG2 4.13Å; V199-V203 WeakPolarHBondContact O-CB 3.19Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 2.54Å |
| 200 | S | 87.9 | Confident | 81 | Confident | 89 Ų | 89 | 106 Ų | 106 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | S198 R204 | S198-S200 PolarHBondContact O-N 3.07Å; S198-S200 PolarHBondContact OG-OG 3.14Å; S200-R204 WeakPolarHBondContact O-CB 3.21Å; S200-R204 PolarHBondContact O-N 2.84Å |
| 201 | E | 85.9 | Confident | 80 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.8 | -174.1 | -179.5 | 176 | 0 | 0 | 111.8 | S198 R204 R205 | S198-E201 PolarHBondContact O-N 2.78Å; S198-E201 WeakPolarHBondContact OG-CB 3.36Å; S198-E201 PolarHBondContact OG-N 2.87Å; E201-R204 PolarHBondContact O-N 3.48Å; E201-R205 VanDerWaalsContact O-CB 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.28Å; E201-R205 PolarHBondContact O-N 3.43Å |
| 202 | Y | 86.7 | Confident | 78.5 | Confident | 19 Ų | 19 | 99.2 Ų | 99.2 | 8% | 0.075 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 176.6 | -168.4 | -93.5 | 0 | 0 | 0 | 112 | M189 L190 W191 P193 S198 V199 R205 Y206 | M189-Y202 WeakPolarHBondContact CA-OH 3.44Å; M189-Y202 WeakPolarHBondContact CB-OH 3.42Å; M189-Y202 HydrophobicContact CE-CE2 4.5Å; M189-Y202 HydrophobicContact CG-CE2 4.21Å; M189-Y202 WeakPolarHBondContact CG-OH 3.13Å; L190-Y202 PolarHBondContact N-OH 3.29Å; L190-Y202 VanDerWaalsContact O-CZ 3.26Å; L190-Y202 PolarHBondContact O-OH 2.99Å; W191-Y202 HydrophobicContact CE3-CE1 4.38Å; P193-Y202 HydrophobicContact CB-CD1 3.84Å; P193-Y202 HydrophobicContact CB-CD2 3.91Å; P193-Y202 HydrophobicContact CB-CE1 4.26Å; P193-Y202 HydrophobicContact CB-CE2 4.36Å; P193-Y202 HydrophobicContact CB-CG 3.65Å; P193-Y202 HydrophobicContact CG-CD1 3.64Å; P193-Y202 HydrophobicContact CG-CE1 4.08Å; P193-Y202 HydrophobicContact CG-CG 3.94Å; S198-Y202 WeakPolarHBondContact O-CB 3.47Å; S198-Y202 PolarHBondContact O-N 2.86Å; V199-Y202 PolarHBondContact O-N 2.95Å; Y202-R205 PolarHBondContact O-N 3.36Å; Y202-Y206 WeakPolarHBondContact O-CB 3.18Å; Y202-Y206 PolarHBondContact O-N 2.87Å |
| 203 | V | 84.8 | Confident | 76.8 | Confident | 54 Ų | 54 | 104.7 Ų | 104.7 | 33% | 0.327 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V199 R205 Y206 H207 | V199-V203 HydrophobicContact CG1-CG2 4.13Å; V199-V203 WeakPolarHBondContact O-CB 3.19Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 2.54Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.14Å; V203-Y206 WeakPolarHBondContact O-CB 3.32Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.14Å; V203-H207 VanDerWaalsContact CG1-CD2 3.48Å; V203-H207 WeakPolarHBondContact CG1-CD2 3.18Å; V203-H207 PolarHBondContact O-CD2 3.29Å; V203-H207 PolarHBondContact O-N 3.04Å |
| 204 | R | 83.5 | Confident | 76.4 | Confident | 198 Ų | 198 | 108.7 Ų | 108.7 | 75% | 0.747 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 176 | -162.1 | 179.8 | -153.5 | 154.1 | 4.8 | 111.7 | S200 E201 Y206 H207 K208 | S200-R204 WeakPolarHBondContact O-CB 3.21Å; S200-R204 PolarHBondContact O-N 2.84Å; E201-R204 PolarHBondContact O-N 3.48Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; R204-H207 PolarHBondContact O-N 3.49Å; R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 PolarHBondContact O-N 2.91Å |
| 205 | R | 77.7 | Confident | 75.9 | Confident | 129 Ų | 129 | 111.6 Ų | 111.6 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.4 | -33.6 | 175.3 | -167.2 | -175.8 | 160.8 | 172.9 | -4.4 | 111.4 | M189 E201 Y202 V203 N209 | M189-R205 HydrophobicContact CE-CB 3.58Å; M189-R205 VanDerWaalsContact CE-CD 3.47Å; M189-R205 HydrophobicContact CE-CG 3.36Å; E201-R205 VanDerWaalsContact O-CB 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.28Å; E201-R205 PolarHBondContact O-N 3.43Å; Y202-R205 PolarHBondContact O-N 3.36Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.14Å; R205-N209 PolarHBondContact O-N 3.33Å; R205-N209 PolarHBondContact O-ND2 3.19Å |
| 206 | Y | 76.7 | Confident | 75.4 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 35% | 0.349 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 172.9 | 176.1 | -94.5 | 0 | 0 | 0 | 111.3 | R186 M189 Y202 V203 R204 N209 L210 | R186-Y206 VanDerWaalsContact NH2-CZ 3.32Å; R186-Y206 PolarHBondContact NH2-OH 3.04Å; M189-Y206 HydrophobicContact SD-CD2 4.24Å; Y202-Y206 WeakPolarHBondContact O-CB 3.18Å; Y202-Y206 PolarHBondContact O-N 2.87Å; V203-Y206 WeakPolarHBondContact O-CB 3.32Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.14Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-N209 CarbonylContact O-C 3.3Å; Y206-N209 PolarHBondContact O-N 3.48Å; Y206-N209 VanDerWaalsContact O-N 3.16Å; Y206-L210 HydrophobicContact CD1-CD1 3.63Å; Y206-L210 HydrophobicContact CE1-CD1 3.32Å; Y206-L210 PolarHBondContact O-N 3.29Å |
| 207 | H | 75.6 | Confident | 74.8 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 178 | -74 | -72.7 | 0 | 0 | 0 | 113.5 | V203 R204 N209 L210 | V203-H207 VanDerWaalsContact CG1-CD2 3.48Å; V203-H207 WeakPolarHBondContact CG1-CD2 3.18Å; V203-H207 PolarHBondContact O-CD2 3.29Å; V203-H207 PolarHBondContact O-N 3.04Å; R204-H207 PolarHBondContact O-N 3.49Å; H207-N209 PolarHBondContact O-N 3.2Å; H207-L210 WeakPolarHBondContact O-CB 3.04Å; H207-L210 PolarHBondContact O-N 3.47Å; H207-L210 VanDerWaalsContact O-N 3.15Å |
| 208 | K | 71.2 | Confident | 74.2 | Confident | 184 Ų | 184 | 101.9 Ų | 101.9 | 80% | 0.8 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -22.9 | 173 | -169.4 | 174 | -177.2 | 176.4 | 0 | 112.8 | R204 | R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 PolarHBondContact O-N 2.91Å |
| 209 | N | 67.7 | Low | 73.2 | Confident | 21 Ų | 21 | 105 Ų | 105 | 11% | 0.112 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 12.5 | 175.5 | -60.9 | -51.2 | 0 | 0 | 0 | 112.3 | R205 Y206 H207 A211 | R205-N209 PolarHBondContact O-N 3.33Å; R205-N209 PolarHBondContact O-ND2 3.19Å; Y206-N209 CarbonylContact O-C 3.3Å; Y206-N209 PolarHBondContact O-N 3.48Å; Y206-N209 VanDerWaalsContact O-N 3.16Å; H207-N209 PolarHBondContact O-N 3.2Å; N209-A211 PolarHBondContact O-N 3.27Å |
| 210 | L | 63.6 | Low | 72.2 | Confident | 78 Ų | 78 | 106 Ų | 106 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -65.2 | 126.9 | 165.7 | -120.3 | 92.7 | 0 | 0 | 0 | 106.1 | Y206 H207 D212 | Y206-L210 HydrophobicContact CD1-CD1 3.63Å; Y206-L210 HydrophobicContact CE1-CD1 3.32Å; Y206-L210 PolarHBondContact O-N 3.29Å; H207-L210 WeakPolarHBondContact O-CB 3.04Å; H207-L210 PolarHBondContact O-N 3.47Å; H207-L210 VanDerWaalsContact O-N 3.15Å; L210-D212 PolarHBondContact O-N 3.02Å |
| 211 | A | 57.2 | Low | 71 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | trans | -51.7 | 138.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N209 V213 | N209-A211 PolarHBondContact O-N 3.27Å; A211-V213 PolarHBondContact O-N 2.99Å | ||
| 212 | D | 43.9 | Very low | 69.7 | Low | 124 Ų | 124 | 106.8 Ų | 106.8 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | trans | -40.9 | 122.2 | 160.6 | -60.8 | -55.8 | 0 | 0 | 0 | 108.5 | N181 L210 | N181-D212 PolarHBondContact ND2-OD2 2.81Å; L210-D212 PolarHBondContact O-N 3.02Å | ||
| 213 | V | 48.1 | Very low | 68.2 | Low | 213 Ų | 213 | 114.7 Ų | 114.7 | 100% | 1.291 | 56% | 0.564 | S | S | * | * | trans | -66.4 | 0 | 161.4 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | A211 | A211-V213 PolarHBondContact O-N 2.99Š|
Retrieved 213 of 213 residues in 643.7 ms
(Link to these results)