| 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 | 36.6 | Very low | 38 | Very low | 254 Ų | 254 | 146.6 Ų | 146.6 | 100% | 1.251 | 86% | 0.864 | S | S | * | * | 0 | 115 | 0 | -60.1 | 174 | 176.4 | 0 | 0 | 107 | |||||
| 2 | G | 37.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 149.4 Ų | 149.4 | 75% | 0.753 | 87% | 0.87 | S | S | * | * | cis | -176.3 | 113.8 | -4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 3 | S | 35.3 | Very low | 37.3 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.2 | -177.5 | -39.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 4 | K | 46.4 | Very low | 37.5 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 125.7 | 178 | -74.5 | -179.8 | 178.2 | 178.1 | 0 | 110.4 | ||
| 5 | A | 37.6 | Very low | 37.4 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 137.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 6 | L | 38.2 | Very low | 37.6 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 134.7 | 161.8 | -76.2 | 118.5 | 0 | 0 | 0 | 110.2 | ||
| 7 | H | 37.6 | Very low | 37.7 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 117.5 | 162.5 | -88.3 | 19.3 | 0 | 0 | 0 | 109.3 | ||
| 8 | A | 38.2 | Very low | 38.1 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 143.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 9 | P | 38.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.5 | 172.1 | 28 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 10 | I | 36.4 | Very low | 38.8 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.7 | 177.8 | -60.8 | 168 | 0 | 0 | 0 | 109.6 | ||
| 11 | P | 35.3 | Very low | 38.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.1 | 179.7 | 30.5 | -32.3 | 0 | 0 | 0 | 112.2 | ||
| 12 | L | 34.6 | Very low | 39.3 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 94% | 0.942 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 136.9 | 169.1 | -83.2 | 158 | 0 | 0 | 0 | 110.6 | ||
| 13 | H | 33.1 | Very low | 39.5 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.8 | -171.6 | -164.8 | -97.8 | 0 | 0 | 0 | 113.3 | A15 | H13-A15 VanDerWaalsContact C-N 3.28Å; H13-A15 WeakPolarHBondContact ND1-CB 3.5Å; H13-A15 PolarHBondContact O-N 3.24Å; H13-A15 VanDerWaalsContact O-N 3.16Å |
| 14 | P | 40.3 | Very low | 40.1 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -77.1 | 1.3 | -170.8 | -10.3 | 27.3 | 0 | 0 | 0 | 116 | L16 | P14-L16 PolarHBondContact O-N 3.38Š|
| 15 | A | 36.3 | Very low | 39.9 | Very low | 56 Ų | 56 | 129.4 Ų | 129.4 | 46% | 0.463 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -82.7 | -6.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.8 | H13 | H13-A15 VanDerWaalsContact C-N 3.28Å; H13-A15 WeakPolarHBondContact ND1-CB 3.5Å; H13-A15 PolarHBondContact O-N 3.24Å; H13-A15 VanDerWaalsContact O-N 3.16Å |
| 16 | L | 40 | Very low | 40.1 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -97.7 | -1 | -178.3 | -72.7 | 171.5 | 0 | 0 | 0 | 114.7 | P14 | P14-L16 PolarHBondContact O-N 3.38Š|
| 17 | Q | 40 | Very low | 40.5 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -94.1 | -12.6 | 177.7 | -68.7 | -68.4 | -9.3 | 0 | 0 | 113.5 | ||
| 18 | L | 44.9 | Very low | 40.8 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 60% | 0.602 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -92.4 | -17 | -172.5 | -78.8 | 155.7 | 0 | 0 | 0 | 114.7 | S22 | L18-S22 PolarHBondContact O-N 3.1Å; L18-S22 PolarHBondContact O-OG 3.07Å; L18-S22 VanDerWaalsContact O-OG 3.06Å |
| 19 | T | 44 | Very low | 41.1 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.2 | -26.2 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 20 | N | 44.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -84.9 | -31.2 | 176.2 | -83 | -29.2 | 0 | 0 | 0 | 112.8 | ||
| 21 | Y | 42.2 | Very low | 41.2 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77 | -37.4 | -177.1 | -146.8 | -94.2 | 0 | 0 | 0 | 112.3 | L24 Q25 | Y21-L24 PolarHBondContact O-N 3.48Å; Y21-Q25 PolarHBondContact O-N 3.5Å |
| 22 | S | 43.9 | Very low | 41.7 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 49% | 0.49 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.3 | -30.2 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | L18 A26 | L18-S22 PolarHBondContact O-N 3.1Å; L18-S22 PolarHBondContact O-OG 3.07Å; L18-S22 VanDerWaalsContact O-OG 3.06Å; S22-A26 PolarHBondContact O-N 3.32Å |
| 23 | F | 42.4 | Very low | 42 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.3 | -38 | 177.6 | -160.8 | -96.1 | 0 | 0 | 0 | 111.8 | Q25 A26 V27 | F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-Q25 PolarHBondContact O-N 3.1Å; F23-A26 PolarHBondContact O-N 3.45Å; F23-V27 VanDerWaalsContact O-CG2 3.28Å; F23-V27 WeakPolarHBondContact O-CG2 3.48Å |
| 24 | L | 47.1 | Very low | 42.4 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.5 | -24.6 | 177.9 | -70.4 | 172 | 0 | 0 | 0 | 113.4 | Y21 | Y21-L24 PolarHBondContact O-N 3.48Å |
| 25 | Q | 42.1 | Very low | 42.7 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 59% | 0.589 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.4 | -28.9 | 172.9 | -85.1 | -179.2 | -37.7 | 0 | 0 | 113.3 | Y21 F23 T29 | Y21-Q25 PolarHBondContact O-N 3.5Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-Q25 PolarHBondContact O-N 3.1Å; Q25-T29 PolarHBondContact O-OG1 3.33Å |
| 26 | A | 42.9 | Very low | 42.9 | Very low | 51 Ų | 51 | 126.4 Ų | 126.4 | 42% | 0.421 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -71.4 | -31.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S22 F23 T29 F30 | S22-A26 PolarHBondContact O-N 3.32Å; F23-A26 PolarHBondContact O-N 3.45Å; A26-T29 PolarHBondContact O-OG1 3.38Å; A26-F30 WeakPolarHBondContact O-CD2 3.44Å |
| 27 | V | 46 | Very low | 43.1 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.3 | -23 | -178.9 | -151.1 | 0 | 0 | 0 | 0 | 112.5 | F23 | F23-V27 VanDerWaalsContact O-CG2 3.28Å; F23-V27 WeakPolarHBondContact O-CG2 3.48Å |
| 28 | N | 44.1 | Very low | 43.1 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 0.8 | -176.7 | -95.7 | -24.1 | 0 | 0 | 0 | 114.7 | ||
| 29 | T | 43.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 2.3 | -178.3 | 41.6 | 0 | 0 | 0 | 0 | 114.4 | Q25 A26 P31 | Q25-T29 PolarHBondContact O-OG1 3.33Å; A26-T29 PolarHBondContact O-OG1 3.38Å; T29-P31 WeakPolarHBondContact O-CD 3.25Å |
| 30 | F | 39.4 | Very low | 42.7 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -95.3 | 117.6 | 177.4 | -80.7 | -87.1 | 0 | 0 | 0 | 111.8 | A26 | A26-F30 WeakPolarHBondContact O-CD2 3.44Š| ||
| 31 | P | 37.8 | Very low | 42.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -65.4 | 138.4 | 168.1 | 25.4 | -29.7 | 0 | 0 | 0 | 110.1 | T29 D33 | T29-P31 WeakPolarHBondContact O-CD 3.25Å; P31-D33 PolarHBondContact O-N 3.4Å | ||
| 32 | A | 46.1 | Very low | 42.8 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -61.9 | -11.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q34 | A32-Q34 PolarHBondContact O-N 3.26Š|
| 33 | D | 41.3 | Very low | 42.8 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -85.5 | 3 | -172.4 | -92.9 | -21.2 | 0 | 0 | 0 | 115.8 | P31 | P31-D33 PolarHBondContact O-N 3.4Š|
| 34 | Q | 41.7 | Very low | 42.8 | Very low | 169 Ų | 169 | 119.8 Ų | 119.8 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -109.1 | -1.1 | 176.8 | -82.1 | -101 | -38.7 | 0 | 0 | 114.4 | A32 | A32-Q34 PolarHBondContact O-N 3.26Š|
| 35 | L | 46.9 | Very low | 42.6 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 20.5 | -176.5 | -70.9 | 174.6 | 0 | 0 | 0 | 114.7 | ||
| 36 | Q | 40.2 | Very low | 43.1 | Very low | 181 Ų | 181 | 118.1 Ų | 118.1 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.7 | 177.7 | -90.4 | 172.1 | -22.9 | 0 | 0 | 114.8 | ||
| 37 | G | 43 | Very low | 42.9 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -98.8 | -17.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 38 | L | 39.8 | Very low | 42.8 | Very low | 139 Ų | 139 | 125 Ų | 125 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -137.9 | 99.4 | -170.2 | -75.3 | 165 | 0 | 0 | 0 | 110.7 | ||
| 39 | Y | 39 | Very low | 42.9 | Very low | 207 Ų | 207 | 123.6 Ų | 123.6 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | 57 | 103.4 | 164 | -51.3 | -79.2 | 0 | 0 | 0 | 115.9 | L41 | Y39-L41 VanDerWaalsContact C-N 3.27Å; Y39-L41 PolarHBondContact O-N 3.37Å | ||
| 40 | G | 42.9 | Very low | 43.1 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 94% | 0.938 | 69% | 0.692 | S | S | * | * | trans | -64.8 | 73.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 41 | L | 46 | Very low | 43.5 | Very low | 118 Ų | 118 | 124 Ų | 124 | 62% | 0.618 | 70% | 0.696 | S | S | * | * | trans | -113 | 106.3 | 163.6 | -69.5 | 172.5 | 0 | 0 | 0 | 107.6 | Y39 A43 | Y39-L41 VanDerWaalsContact C-N 3.27Å; Y39-L41 PolarHBondContact O-N 3.37Å; L41-A43 PolarHBondContact O-N 2.98Å | ||
| 42 | S | 41.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | trans | -52.7 | 139.2 | 172.9 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | V44 Q45 | S42-V44 PolarHBondContact O-N 3Å; S42-Q45 PolarHBondContact O-N 2.91Å | ||
| 43 | A | 44.4 | Very low | 43.8 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -14.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | L41 Q45 | L41-A43 PolarHBondContact O-N 2.98Å; A43-Q45 VanDerWaalsContact C-N 3.32Å |
| 44 | V | 43.3 | Very low | 44.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -30.3 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | S42 | S42-V44 PolarHBondContact O-N 3Å |
| 45 | Q | 43 | Very low | 44.4 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 55% | 0.547 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -76.7 | -31 | -175.1 | -133.1 | 132.2 | -12.8 | 0 | 0 | 113 | S42 A43 H48 | S42-Q45 PolarHBondContact O-N 2.91Å; A43-Q45 VanDerWaalsContact C-N 3.32Å; Q45-H48 PolarHBondContact O-N 2.77Å |
| 46 | T | 51.6 | Low | 44.3 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.5 | -33.1 | -179 | -33.1 | 0 | 0 | 0 | 0 | 111.9 | H48 | T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 2.98Å |
| 47 | M | 39.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.9 | -26.8 | 176.9 | -62 | -164.5 | 89.6 | 0 | 0 | 112.7 | M49 | M47-M49 VanDerWaalsContact C-N 3.33Å; M47-M49 PolarHBondContact O-N 3.42Å |
| 48 | H | 44.3 | Very low | 45.5 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.8 | -16.3 | -177.7 | -140.8 | -142.8 | 0 | 0 | 0 | 113.6 | Q45 T46 | Q45-H48 PolarHBondContact O-N 2.77Å; T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 2.98Å |
| 49 | M | 44.7 | Very low | 45.8 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 58% | 0.581 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.4 | -27.6 | 177.8 | -82 | -79.2 | 141 | 0 | 0 | 113.5 | M47 H51 W52 | M47-M49 VanDerWaalsContact C-N 3.33Å; M47-M49 PolarHBondContact O-N 3.42Å; M49-H51 VanDerWaalsContact C-N 3.33Å; M49-H51 PolarHBondContact O-N 3.49Å; M49-W52 PolarHBondContact O-N 3.05Å |
| 50 | N | 48.6 | Very low | 46.4 | Very low | 108 Ų | 108 | 114.2 Ų | 114.2 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -28.1 | -176.5 | -71.1 | -22.9 | 0 | 0 | 0 | 113.1 | T53 | N50-T53 PolarHBondContact O-OG1 3.43Š|
| 51 | H | 47.7 | Very low | 46.9 | Very low | 156 Ų | 156 | 112.1 Ų | 112.1 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -24.1 | -179.5 | -164.3 | -113.3 | 0 | 0 | 0 | 113.3 | M49 | M49-H51 VanDerWaalsContact C-N 3.33Å; M49-H51 PolarHBondContact O-N 3.49Å |
| 52 | W | 42.6 | Very low | 47.3 | Very low | 156 Ų | 156 | 111.9 Ų | 111.9 | 59% | 0.591 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -23.4 | -177.6 | -101.6 | 64.6 | 0 | 0 | 0 | 114.2 | M49 L54 Y56 | M49-W52 PolarHBondContact O-N 3.05Å; W52-L54 VanDerWaalsContact C-N 3.3Å; W52-L54 PolarHBondContact O-N 3.12Å; W52-Y56 HydrophobicContact CE3-CD2 4.48Å |
| 53 | T | 46.8 | Very low | 47.5 | Very low | 27 Ų | 27 | 115 Ų | 115 | 17% | 0.166 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -7.7 | -174.7 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | N50 | N50-T53 PolarHBondContact O-OG1 3.43Š|
| 54 | L | 50.5 | Low | 48 | Very low | 149 Ų | 149 | 114.6 Ų | 114.6 | 78% | 0.78 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8.7 | 179.1 | -73.4 | 165.4 | 0 | 0 | 0 | 113.8 | W52 | W52-L54 VanDerWaalsContact C-N 3.3Å; W52-L54 PolarHBondContact O-N 3.12Å |
| 55 | G | 45.6 | Very low | 48.4 | Very low | 55 Ų | 55 | 113.8 Ų | 113.8 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -118.6 | -8.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 56 | Y | 45.1 | Very low | 48.9 | Very low | 142 Ų | 142 | 113.4 Ų | 113.4 | 56% | 0.557 | 59% | 0.589 | S | S | * | * | trans | -133.8 | 111 | -172.8 | -68.9 | -80.8 | 0 | 0 | 0 | 112.1 | W52 H58 M59 | W52-Y56 HydrophobicContact CE3-CD2 4.48Å; Y56-H58 PolarHBondContact O-N 3.46Å; Y56-H58 VanDerWaalsContact O-N 3.16Å; Y56-M59 PolarHBondContact O-N 3.4Å | ||
| 57 | P | 51.4 | Low | 49 | Very low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -60.4 | -24.8 | -178.8 | -23.4 | 32.8 | 0 | 0 | 0 | 114.4 | M59 | P57-M59 VanDerWaalsContact C-N 3.27Å; P57-M59 PolarHBondContact O-N 3.29Å |
| 58 | H | 55.8 | Low | 49.5 | Very low | 178 Ų | 178 | 106.2 Ų | 106.2 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -73.4 | -12.7 | -178 | -170.4 | -89.1 | 0 | 0 | 0 | 114 | Y56 | Y56-H58 PolarHBondContact O-N 3.46Å; Y56-H58 VanDerWaalsContact O-N 3.16Å |
| 59 | M | 46.1 | Very low | 49.6 | Very low | 78 Ų | 78 | 102.4 Ų | 102.4 | 38% | 0.384 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -102.5 | 4 | -178 | -70.7 | -71.4 | -124.8 | 0 | 0 | 113.6 | Y56 P57 | Y56-M59 PolarHBondContact O-N 3.4Å; P57-M59 VanDerWaalsContact C-N 3.27Å; P57-M59 PolarHBondContact O-N 3.29Å |
| 60 | Q | 52.8 | Low | 49.8 | Very low | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.2 | -30.1 | 178.1 | -65.8 | -159.8 | -2.9 | 0 | 0 | 112.9 | L62 R63 S64 | Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 3.14Å; Q60-R63 PolarHBondContact O-N 2.78Å; Q60-S64 PolarHBondContact O-N 3.4Å; Q60-S64 PolarHBondContact O-OG 2.65Å |
| 61 | G | 53.2 | Low | 49.8 | Very low | 46 Ų | 46 | 102.2 Ų | 102.2 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -34.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R63 S64 T65 | G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 2.95Å; G61-S64 PolarHBondContact O-OG 3.49Å; G61-T65 PolarHBondContact O-N 3.42Å; G61-T65 PolarHBondContact O-OG1 3.5Å |
| 62 | L | 53.9 | Low | 49.8 | Very low | 113 Ų | 113 | 97.9 Ų | 97.9 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.1 | -33.2 | 178.2 | -129.1 | 104.3 | 0 | 0 | 0 | 111.9 | Q60 I66 | Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 3.14Å; L62-I66 HydrophobicContact CD2-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CD1 3.39Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 2.92Å; L62-I66 VanDerWaalsContact O-N 3.14Å |
| 63 | R | 47.5 | Very low | 50.1 | Low | 138 Ų | 138 | 96.9 Ų | 96.9 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.8 | -40.1 | -178.4 | -172.2 | 174.6 | 176.5 | 174.4 | -3.2 | 111.7 | Q60 G61 T67 | Q60-R63 PolarHBondContact O-N 2.78Å; G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 2.95Å; R63-T67 WeakPolarHBondContact O-CB 3.41Å; R63-T67 PolarHBondContact O-N 3.35Å; R63-T67 PolarHBondContact O-OG1 3.45Å |
| 64 | S | 54.2 | Low | 50 | Low | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.5 | -39.3 | 176.7 | 42.1 | 0 | 0 | 0 | 0 | 112 | Q60 G61 T67 A68 | Q60-S64 PolarHBondContact O-N 3.4Å; Q60-S64 PolarHBondContact O-OG 2.65Å; G61-S64 PolarHBondContact O-OG 3.49Å; S64-T67 PolarHBondContact O-N 3.33Å; S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.24Å |
| 65 | T | 51 | Low | 49.6 | Very low | 97 Ų | 97 | 97.7 Ų | 97.7 | 60% | 0.595 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -42.2 | 177.8 | -39.3 | 0 | 0 | 0 | 0 | 112.7 | G61 T67 A68 A69 | G61-T65 PolarHBondContact O-N 3.42Å; G61-T65 PolarHBondContact O-OG1 3.5Å; T65-T67 VanDerWaalsContact C-N 3.33Å; T65-T67 PolarHBondContact O-N 3.06Å; T65-A68 PolarHBondContact O-N 3.48Å; T65-A69 PolarHBondContact O-N 3.48Å; T65-A69 VanDerWaalsContact O-N 3.1Å |
| 66 | I | 53.6 | Low | 49.5 | Very low | 110 Ų | 110 | 101.2 Ų | 101.2 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -37.4 | 177 | -67.1 | 167.2 | 0 | 0 | 0 | 111 | L62 A69 A70 | L62-I66 HydrophobicContact CD2-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CD1 3.39Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 2.92Å; L62-I66 VanDerWaalsContact O-N 3.14Å; I66-A69 PolarHBondContact O-N 3.35Å; I66-A70 PolarHBondContact O-N 3.39Å; I66-A70 VanDerWaalsContact O-N 3.12Å |
| 67 | T | 54.9 | Low | 49.5 | Very low | 65 Ų | 65 | 105.1 Ų | 105.1 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -37.9 | 178.4 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | R63 S64 T65 A70 Q71 | R63-T67 WeakPolarHBondContact O-CB 3.41Å; R63-T67 PolarHBondContact O-N 3.35Å; R63-T67 PolarHBondContact O-OG1 3.45Å; S64-T67 PolarHBondContact O-N 3.33Å; T65-T67 VanDerWaalsContact C-N 3.33Å; T65-T67 PolarHBondContact O-N 3.06Å; T67-A70 PolarHBondContact O-N 3.33Å; T67-Q71 WeakPolarHBondContact O-CG 3.43Å; T67-Q71 PolarHBondContact O-N 3.25Å |
| 68 | A | 48.8 | Very low | 49 | Very low | 34 Ų | 34 | 105.5 Ų | 105.5 | 28% | 0.281 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.8 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S64 T65 Q71 L73 | S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.24Å; T65-A68 PolarHBondContact O-N 3.48Å; A68-Q71 PolarHBondContact O-N 3.49Å; A68-L73 PolarHBondContact O-N 3.48Å |
| 69 | A | 46.1 | Very low | 48.2 | Very low | 64 Ų | 64 | 102.3 Ų | 102.3 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T65 I66 Q71 G72 | T65-A69 PolarHBondContact O-N 3.48Å; T65-A69 VanDerWaalsContact O-N 3.1Å; I66-A69 PolarHBondContact O-N 3.35Å; A69-Q71 VanDerWaalsContact C-N 3.26Å; A69-Q71 PolarHBondContact O-N 3.37Å; A69-G72 PolarHBondContact O-N 3.39Å |
| 70 | A | 50.1 | Low | 47.7 | Very low | 88 Ų | 88 | 108 Ų | 108 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.5 | -19.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | I66 T67 | I66-A70 PolarHBondContact O-N 3.39Å; I66-A70 VanDerWaalsContact O-N 3.12Å; T67-A70 PolarHBondContact O-N 3.33Å |
| 71 | Q | 47.3 | Very low | 46.9 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.6 | 177.4 | -69.5 | 176.6 | -11.8 | 0 | 0 | 113.3 | T67 A68 A69 L73 | T67-Q71 WeakPolarHBondContact O-CG 3.43Å; T67-Q71 PolarHBondContact O-N 3.25Å; A68-Q71 PolarHBondContact O-N 3.49Å; A69-Q71 VanDerWaalsContact C-N 3.26Å; A69-Q71 PolarHBondContact O-N 3.37Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD1 4.44Å; Q71-L73 PolarHBondContact O-N 3.42Å |
| 72 | G | 49.6 | Very low | 46.2 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 17.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A69 V74 | A69-G72 PolarHBondContact O-N 3.39Å; G72-V74 VanDerWaalsContact C-N 3.35Å |
| 73 | L | 47.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 111.6 Ų | 111.6 | 71% | 0.712 | 64% | 0.64 | S | S | * | * | trans | -87 | -0.4 | -177.9 | -71 | 170.6 | 0 | 0 | 0 | 113.8 | A68 Q71 | A68-L73 PolarHBondContact O-N 3.48Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD1 4.44Å; Q71-L73 PolarHBondContact O-N 3.42Å | ||
| 74 | V | 46.1 | Very low | 44.8 | Very low | 92 Ų | 92 | 109.7 Ų | 109.7 | 56% | 0.558 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -144.3 | 128.6 | 175.3 | -165.5 | 0 | 0 | 0 | 0 | 110 | G72 | G72-V74 VanDerWaalsContact C-N 3.35Š|
| 75 | D | 40.3 | Very low | 43.9 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 54% | 0.535 | 67% | 0.667 | S | S | . | * | trans | -71.6 | 122.6 | 176.9 | -167 | -32.2 | 0 | 0 | 0 | 110.4 | R77 | D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 VanDerWaalsContact O-N 3.1Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; D75-R77 VanDerWaalsContact OD1-N 3.07Å | ||
| 76 | P | 43.8 | Very low | 43.2 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 4.5 | -178.1 | 28.8 | -33.7 | 0 | 0 | 0 | 114.3 | ||
| 77 | R | 44.9 | Very low | 42.2 | Very low | 223 Ų | 223 | 117.6 Ų | 117.6 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 5.3 | 179.6 | -70.9 | -174.9 | 172.2 | 178 | -0.6 | 115.9 | D75 P79 | D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 VanDerWaalsContact O-N 3.1Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; D75-R77 VanDerWaalsContact OD1-N 3.07Å; R77-P79 WeakPolarHBondContact O-CD 3.43Å |
| 78 | I | 42.3 | Very low | 41 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 120.3 | 177.2 | -53.5 | 178.3 | 0 | 0 | 0 | 109.8 | F80 | I78-F80 PolarHBondContact O-N 3.38Š|
| 79 | P | 38.1 | Very low | 40.4 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.9 | 171.4 | -7.3 | 22.6 | 0 | 0 | 0 | 108.9 | R77 | R77-P79 WeakPolarHBondContact O-CD 3.43Š|
| 80 | F | 36.5 | Very low | 40.2 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.4 | 171.1 | -99.6 | -94.5 | 0 | 0 | 0 | 110.1 | I78 A82 | I78-F80 PolarHBondContact O-N 3.38Å; F80-A82 PolarHBondContact O-N 3.45Å |
| 81 | P | 34.7 | Very low | 39.3 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 125.4 | 166.3 | 27.2 | -30.3 | 0 | 0 | 0 | 107.7 | ||
| 82 | A | 39.8 | Very low | 38.4 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 146 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F80 | F80-A82 PolarHBondContact O-N 3.45Š|
| 83 | L | 32.6 | Very low | 37.4 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 123.9 | 145.9 | 151.6 | -63.4 | 174.4 | 0 | 0 | 0 | 114.1 | ||||
| 84 | P | 37.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | cis | -129.5 | 138.2 | -23.9 | 30.9 | -12.4 | 0 | 0 | 0 | 112.9 | T86 | P84-T86 PolarHBondContact O-N 3.44Š| ||
| 85 | F | 35.5 | Very low | 36.1 | Very low | 222 Ų | 222 | 145.8 Ų | 145.8 | 97% | 0.974 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 61.7 | 168.1 | -120.9 | -86.3 | 0 | 0 | 0 | 110.4 | ||||
| 86 | T | 37.2 | Very low | 35.7 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -155 | 81.9 | 173 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | P84 | P84-T86 PolarHBondContact O-N 3.44Š| ||
| 87 | A | 32.5 | Very low | 34.9 | Very low | 106 Ų | 106 | 148 Ų | 148 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -178.5 | 63.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 88 | A | 30.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -158.6 | 23.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 89 | A | 35.8 | Very low | 33.6 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -104.5 | 70.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 90 | Q | 41.4 | Very low | 33.2 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -167.5 | 99.9 | 161.3 | -107.1 | 172.4 | 33.6 | 0 | 0 | 107.7 | ||||
| 91 | L | 30.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 155.9 | 55.4 | 150.9 | -81.2 | 174.7 | 0 | 0 | 0 | 109.8 | ||
| 92 | F | 27.6 | Very low | 32.6 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | trans | -143.7 | 91.5 | 155.2 | -89.3 | -79.1 | 0 | 0 | 0 | 108.4 | P94 | F92-P94 WeakPolarHBondContact O-CD 3.46Š| ||
| 93 | H | 30.3 | Very low | 32.2 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -96.4 | 109.2 | 155.1 | -79.3 | -72.1 | 0 | 0 | 0 | 107.9 | ||||
| 94 | P | 34 | Very low | 32.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 107.2 | 152.1 | 30.2 | -24.6 | 0 | 0 | 0 | 107.7 | F92 | F92-P94 WeakPolarHBondContact O-CD 3.46Š| ||
| 95 | K | 31.1 | Very low | 31.8 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -63.3 | 137.4 | 163 | -87.2 | -173.8 | 176.4 | -178.8 | 0 | 108.7 | ||||
| 96 | Q | 31.6 | Very low | 32.2 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -64 | 140.5 | -174.8 | -62.6 | 160.6 | -24.9 | 0 | 0 | 112.1 | ||||
| 97 | A | 27.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -140.5 | 87.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | V99 | A97-V99 PolarHBondContact O-N 2.99Š| ||
| 98 | V | 30 | Very low | 31.9 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | -70.9 | 108.5 | 166.3 | 167.3 | 0 | 0 | 0 | 0 | 106.4 | T100 | V98-T100 HydrophobicContact CG1-CG2 3.6Š| ||
| 99 | V | 29 | Very low | 31.9 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -101.9 | 96 | 156.9 | 178.9 | 0 | 0 | 0 | 0 | 106 | A97 H101 | A97-V99 PolarHBondContact O-N 2.99Å; V99-H101 WeakPolarHBondContact CG1-CD2 3.04Å; V99-H101 PolarHBondContact O-N 3.42Å; V99-H101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | T | 30.4 | Very low | 31.8 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 101.1 | 165.8 | 47.2 | 0 | 0 | 0 | 0 | 108.5 | V98 | V98-T100 HydrophobicContact CG1-CG2 3.6Š| ||
| 101 | H | 30.6 | Very low | 31.2 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | -109.2 | 118.7 | 150.3 | -74.9 | -60.2 | 0 | 0 | 0 | 107.8 | V99 | V99-H101 WeakPolarHBondContact CG1-CD2 3.04Å; V99-H101 PolarHBondContact O-N 3.42Å; V99-H101 VanDerWaalsContact O-N 3.15Å | ||
| 102 | G | 27.1 | Very low | 31.3 | Very low | 69 Ų | 69 | 153 Ų | 153 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 152.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P104 | G102-P104 VanDerWaalsContact O-CD 3.31Å; G102-P104 WeakPolarHBondContact O-CD 3.38Å |
| 103 | I | 31.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.3 | 166.3 | -60.7 | 161 | 0 | 0 | 0 | 108.6 | ||
| 104 | P | 31.6 | Very low | 31.6 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 144.2 | 164.1 | 31.6 | -26.1 | 0 | 0 | 0 | 109.6 | G102 | G102-P104 VanDerWaalsContact O-CD 3.31Å; G102-P104 WeakPolarHBondContact O-CD 3.38Å |
| 105 | P | 30.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 153 Ų | 153 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73 | 159.3 | -173.8 | 31.4 | -34.7 | 0 | 0 | 0 | 112.1 | H107 | P105-H107 PolarHBondContact O-N 2.92Å; P105-H107 VanDerWaalsContact O-N 3.12Å |
| 106 | H | 44.3 | Very low | 31.7 | Very low | 197 Ų | 197 | 147 Ų | 147 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | trans | -44 | 112.2 | 169.2 | -93.2 | -95.5 | 0 | 0 | 0 | 112.3 | ||||
| 107 | H | 30.9 | Very low | 32.1 | Very low | 167 Ų | 167 | 146 Ų | 146 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -112.1 | 115.4 | 161 | -117.4 | -83.3 | 0 | 0 | 0 | 109.4 | P105 | P105-H107 PolarHBondContact O-N 2.92Å; P105-H107 VanDerWaalsContact O-N 3.12Å | ||
| 108 | K | 31.9 | Very low | 32.6 | Very low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -61.4 | 136.5 | 155.1 | -66.7 | 173.8 | -179.9 | 176.5 | 0 | 105.7 | ||
| 109 | D | 31.3 | Very low | 32.8 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 103.6 | 76.6 | -173.9 | -51.7 | -28.1 | 0 | 0 | 0 | 113.4 | ||||
| 110 | R | 32.9 | Very low | 33.4 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 120.5 | 164.2 | -165.3 | -175.5 | -81 | -125 | 3.5 | 108 | ||
| 111 | P | 29.7 | Very low | 33.4 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145.9 | 178.3 | 25.5 | -30.9 | 0 | 0 | 0 | 110.9 | F113 | P111-F113 PolarHBondContact O-N 2.99Š|
| 112 | R | 32.4 | Very low | 33.4 | Very low | 215 Ų | 215 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 123.5 | 169.2 | -176.3 | 173.1 | 173.7 | 136.9 | -5.3 | 108.2 | D114 | R112-D114 PolarHBondContact O-N 3.05Š|
| 113 | F | 33.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | -68 | 97.9 | 175 | -94.3 | -92.5 | 0 | 0 | 0 | 109 | P111 | P111-F113 PolarHBondContact O-N 2.99Š| ||
| 114 | D | 31.7 | Very low | 33.7 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | -86.4 | 124 | 172.5 | -71.4 | -36.6 | 0 | 0 | 0 | 109.9 | R112 A116 | R112-D114 PolarHBondContact O-N 3.05Å; D114-A116 PolarHBondContact O-N 3.11Å | ||
| 115 | F | 32.7 | Very low | 33.6 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 26 | -176.1 | -83.7 | -87.9 | 0 | 0 | 0 | 114.4 | ||
| 116 | A | 33.6 | Very low | 33.7 | Very low | 79 Ų | 79 | 156.3 Ų | 156.3 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -12.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116 | D114 | D114-A116 PolarHBondContact O-N 3.11Š|
| 117 | N | 39.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -130.1 | 72.4 | -174.7 | -74.9 | -28.6 | 0 | 0 | 0 | 113.3 | ||||
| 118 | L | 38.1 | Very low | 33.3 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | -124.7 | 60.5 | 159 | -158.7 | 78.3 | 0 | 0 | 0 | 109.3 | ||||
| 119 | A | 36 | Very low | 33.4 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -152.7 | 65.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 120 | L | 40.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -171.8 | 83.6 | 151.1 | -139.8 | 67.6 | 0 | 0 | 0 | 111.1 | ||||
| 121 | A | 30.3 | Very low | 33.7 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -174 | 71.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 122 | A | 30.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -123.5 | 103.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | Q124 | A122-Q124 PolarHBondContact O-N 3.15Š| ||
| 123 | T | 31.3 | Very low | 33.9 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -62.4 | 117 | 170.2 | 43.6 | 0 | 0 | 0 | 0 | 109.1 | E125 | T123-E125 PolarHBondContact O-N 3.12Š| ||
| 124 | Q | 34 | Very low | 34.2 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -2.4 | 108.8 | 145.7 | -164 | 167.1 | -6.9 | 0 | 0 | 116.3 | A122 | A122-Q124 PolarHBondContact O-N 3.15Š| ||
| 125 | E | 28.6 | Very low | 34.6 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -143.7 | 124.3 | 152.9 | -74.9 | -77.9 | 138.8 | 0 | 0 | 105.9 | T123 | T123-E125 PolarHBondContact O-N 3.12Š| ||
| 126 | D | 33.3 | Very low | 34.8 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.2 | -173.8 | -70.8 | -63.3 | 0 | 0 | 0 | 113.5 | ||
| 127 | P | 34.3 | Very low | 34.9 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.7 | 176.9 | 30.7 | -33.1 | 0 | 0 | 0 | 112 | K129 | P127-K129 PolarHBondContact O-N 3.33Š|
| 128 | P | 32.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 129.6 | 168.2 | 27 | -30.3 | 0 | 0 | 0 | 110.6 | ||
| 129 | K | 34.4 | Very low | 34.5 | Very low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 137.3 | -179.7 | -70.9 | 170 | 178 | 171.7 | 0 | 111.7 | P127 A131 | P127-K129 PolarHBondContact O-N 3.33Å; K129-A131 PolarHBondContact O-N 2.68Å |
| 130 | A | 36.8 | Very low | 34.5 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -68.9 | 108 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | A | 33 | Very low | 34.1 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 83% | 0.833 | S | S | * | * | trans | -163.4 | 140.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K129 | K129-A131 PolarHBondContact O-N 2.68Š| ||
| 132 | D | 31.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | 93.5 | 130.4 | 164.5 | -53.8 | -32.6 | 0 | 0 | 0 | 119.8 | ||||
| 133 | L | 36.6 | Very low | 34.5 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | 94.4 | 54.9 | 163.4 | -68.5 | 143.2 | 0 | 0 | 0 | 117.9 | K135 | L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 HydrophobicContact CD2-CB 4.29Å; L133-K135 PolarHBondContact O-N 3.39Å | ||
| 134 | A | 38 | Very low | 35 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -54.3 | 93.3 | 126.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 135 | K | 41.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -176.1 | 78.6 | 157.8 | -108.6 | 174.5 | -176.2 | 179.6 | 0 | 108.7 | L133 | L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 HydrophobicContact CD2-CB 4.29Å; L133-K135 PolarHBondContact O-N 3.39Å | ||
| 136 | L | 36.8 | Very low | 35.9 | Very low | 187 Ų | 187 | 131 Ų | 131 | 98% | 0.979 | 82% | 0.817 | S | S | * | * | trans | -165.6 | 45.5 | 155.3 | -98.1 | 175.1 | 0 | 0 | 0 | 109.5 | ||||
| 137 | A | 35.7 | Very low | 36.2 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -118.4 | 86.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 138 | S | 34.7 | Very low | 36.4 | Very low | 129 Ų | 129 | 131 Ų | 131 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -163.9 | 102.2 | 168 | -70.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 139 | G | 34.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 147.9 | 109.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 140 | L | 34.8 | Very low | 37 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | 87.9 | 85.9 | 166.1 | -47.6 | -178.9 | 0 | 0 | 0 | 115.1 | ||||
| 141 | G | 32.5 | Very low | 37.1 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -64.7 | 149.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 142 | G | 30.8 | Very low | 38 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -156.9 | 116.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 143 | T | 38.8 | Very low | 38.5 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -66.2 | 134.2 | -177.5 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | S145 | T143-S145 VanDerWaalsContact C-N 3.26Å; T143-S145 PolarHBondContact O-N 2.85Å | ||
| 144 | I | 41.5 | Very low | 38.9 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -77.4 | 77.9 | 173.1 | -47.3 | 168.6 | 0 | 0 | 0 | 108.3 | ||
| 145 | S | 40.8 | Very low | 38.7 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -156.4 | 112.4 | 165.7 | -95.3 | 0 | 0 | 0 | 0 | 106.6 | T143 | T143-S145 VanDerWaalsContact C-N 3.26Å; T143-S145 PolarHBondContact O-N 2.85Å | ||
| 146 | E | 41.1 | Very low | 38.6 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | 109.1 | 56.5 | -176.8 | -68.2 | -73.2 | 109.7 | 0 | 0 | 116 | ||||
| 147 | L | 40.1 | Very low | 39.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -126.5 | 49.9 | 153.5 | -86.8 | 165 | 0 | 0 | 0 | 110.4 | ||||
| 148 | S | 38.5 | Very low | 39.9 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | trans | -90.2 | 12 | 174.8 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 149 | K | 44 | Very low | 40.1 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -138 | 69.8 | -177.1 | -65.5 | 178.2 | -173.2 | 167.6 | 0 | 113.1 | ||||
| 150 | L | 35.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -137.1 | 98.5 | 154.5 | -75.8 | 174.8 | 0 | 0 | 0 | 108.8 | ||||
| 151 | S | 38.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -102.6 | 135.9 | 153.1 | -133.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 152 | P | 53 | Low | 42.6 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -134.1 | 140.8 | 113.8 | 33.9 | -22.7 | 0 | 0 | 0 | 112.6 | R154 | P152-R154 PolarHBondContact O-N 3.27Å; P152-R154 VanDerWaalsContact O-N 3.14Å | |||
| 153 | D | 41.9 | Very low | 43.9 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -35.2 | 108.2 | 169.7 | -77.5 | -72.9 | 0 | 0 | 0 | 114.3 | ||||
| 154 | R | 44.2 | Very low | 44.8 | Very low | 240 Ų | 240 | 153.7 Ų | 153.7 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -109.5 | 111.2 | 148 | -74.8 | -171.9 | -172.4 | -162.5 | 3.1 | 107.7 | P152 | P152-R154 PolarHBondContact O-N 3.27Å; P152-R154 VanDerWaalsContact O-N 3.14Å | ||
| 155 | K | 34.1 | Very low | 45.4 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -44 | 133.4 | 170.8 | -88.8 | -179.3 | 176.2 | 177.8 | 0 | 110.3 | T157 | K155-T157 PolarHBondContact O-N 2.85Š| ||
| 156 | P | 39.1 | Very low | 46.4 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 109.8 | 178.3 | -15.4 | 28.1 | 0 | 0 | 0 | 110 | R158 | P156-R158 PolarHBondContact O-N 3Å; P156-R158 VanDerWaalsContact O-N 3.17Å | ||
| 157 | T | 52.7 | Low | 47.9 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 114.7 | 161.1 | 41.6 | 0 | 0 | 0 | 0 | 107.3 | K155 G159 | K155-T157 PolarHBondContact O-N 2.85Å; T157-G159 PolarHBondContact O-N 3.04Å | ||
| 158 | R | 47.4 | Very low | 50.1 | Low | 253 Ų | 253 | 151.6 Ų | 151.6 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | trans | -23.6 | 94.7 | 179.9 | -74.8 | -179.5 | -175.1 | 167.2 | 1.4 | 112.4 | P156 R160 | P156-R158 PolarHBondContact O-N 3Å; P156-R158 VanDerWaalsContact O-N 3.17Å; R158-R160 PolarHBondContact O-N 3.23Å | ||
| 159 | G | 38.3 | Very low | 52.4 | Low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 116.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T157 | T157-G159 PolarHBondContact O-N 3.04Š|
| 160 | R | 56.3 | Low | 54.7 | Low | 236 Ų | 236 | 146.1 Ų | 146.1 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 121.3 | 160.4 | -178.4 | -179.5 | -67.9 | -100.7 | -1.2 | 106.2 | R158 | R158-R160 PolarHBondContact O-N 3.23Š|
| 161 | L | 47.5 | Very low | 57.4 | Low | 156 Ų | 156 | 138.7 Ų | 138.7 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 142.1 | 173.1 | -81.3 | 145.7 | 0 | 0 | 0 | 111.1 | S163 | L161-S163 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact O-N 3.1Å |
| 162 | P | 51 | Low | 59.9 | Low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -66.7 | 113.4 | -177.8 | 25.9 | -30.6 | 0 | 0 | 0 | 109.7 | ||||
| 163 | S | 58.8 | Low | 61.6 | Low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | -77.2 | 124.7 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | L161 T165 | L161-S163 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact O-N 3.1Å; S163-T165 PolarHBondContact O-N 3.34Å | ||
| 164 | K | 57 | Low | 64 | Low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31.1 | 117.9 | -179.1 | -73.4 | 173.4 | 174.5 | 177.2 | 0 | 113.5 | K166 | K164-K166 PolarHBondContact O-N 3.27Š|
| 165 | T | 54.7 | Low | 66.1 | Low | 150 Ų | 150 | 128.4 Ų | 128.4 | 92% | 0.92 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.9 | 53.2 | 161.8 | 55.5 | 0 | 0 | 0 | 0 | 116.9 | S163 | S163-T165 PolarHBondContact O-N 3.34Š|
| 166 | K | 61.8 | Low | 68.7 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 53% | 0.526 | 65% | 0.646 | S | S | . | * | trans | -102.3 | 120.4 | 161.5 | -161.2 | 170.2 | -170.5 | 171.3 | 0 | 108.8 | K164 E168 T179 | K164-K166 PolarHBondContact O-N 3.27Å; K166-E168 WeakPolarHBondContact O-CG 3.38Å; K166-E168 PolarHBondContact O-N 3.33Å; K166-T179 VanDerWaalsContact CE-O 3.28Å; K166-T179 WeakPolarHBondContact CE-O 3.09Å | ||
| 167 | K | 72.4 | Confident | 71.2 | Confident | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | trans | -54 | 112.4 | 172.9 | -174.5 | 173 | -177.7 | 173.5 | 0 | 108.4 | F169 | K167-F169 WeakPolarHBondContact O-CE2 3.43Š| ||
| 168 | E | 84.7 | Confident | 73 | Confident | 108 Ų | 108 | 121.8 Ų | 121.8 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | trans | -80.1 | 140.8 | 177.9 | -59 | -172.1 | 169.1 | 0 | 0 | 109.2 | K166 H177 | K166-E168 WeakPolarHBondContact O-CG 3.38Å; K166-E168 PolarHBondContact O-N 3.33Å; E168-H177 IonicContact OE2-CE1 3.58Å; E168-H177 IonicContact OE2-CG 3.69Å; E168-H177 IonicContact OE2-ND1 2.65Å; E168-H177 PolarHBondContact OE2-ND1 3.31Å | ||
| 169 | F | 88.3 | Confident | 75 | Confident | 58 Ų | 58 | 113.9 Ų | 113.9 | 25% | 0.254 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.6 | 177.2 | -64.4 | -83.2 | 0 | 0 | 0 | 108 | K167 H177 F178 K180 S181 L184 | K167-F169 WeakPolarHBondContact O-CE2 3.43Å; F169-H177 CarbonylContact O-C 3.54Å; F169-F178 HydrophobicContact CB-CB 4.25Å; F169-F178 PolarHBondContact N-O 3.15Å; F169-F178 WeakPolarHBondContact O-CB 3.31Å; F169-F178 PolarHBondContact O-N 2.99Å; F169-K180 VanDerWaalsContact CD2-C 3.45Å; F169-S181 VanDerWaalsContact CD2-N 3.31Å; F169-L184 HydrophobicContact CB-CB 3.95Å; F169-L184 HydrophobicContact CB-CD2 3.73Å; F169-L184 HydrophobicContact CB-CG 4.44Å |
| 170 | I | 90.8 | Very high | 77.5 | Confident | 86 Ų | 86 | 114.9 Ų | 114.9 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.4 | -173.3 | -54.8 | 174.2 | 0 | 0 | 0 | 109.4 | K172 R176 | I170-K172 PolarHBondContact O-N 3.22Å; I170-R176 WeakPolarHBondContact CA-O 3.29Å |
| 171 | C | 92.6 | Very high | 79.1 | Confident | 1 Ų | 1 | 107 Ų | 107 | 1% | 0.007 | 55% | 0.545 | C | S | . | . | trans | -70.5 | 125.3 | 174 | -180 | 0 | 0 | 0 | 0 | 111.4 | F173 G175 R176 F178 L184 H187 | C171-F173 VanDerWaalsContact C-N 3.26Å; C171-F173 PolarHBondContact O-N 3.44Å; C171-G175 VanDerWaalsContact O-CA 3.27Å; C171-G175 WeakPolarHBondContact O-CA 3.42Å; C171-G175 PolarHBondContact O-N 3.09Å; C171-R176 HydrophobicContact CB-CB 4.46Å; C171-R176 PolarHBondContact N-O 2.98Å; C171-F178 HydrophobicContact CB-CE2 4.13Å; C171-L184 VanDerWaalsContact CA-CD1 3.41Å; C171-L184 HydrophobicContact CB-CD1 3.68Å; C171-H187 PolarHBondContact SG-CD2 3.43Å; C171-H187 PolarHBondContact SG-NE2 3.29Å; C171-H187 VanDerWaalsContact SG-NE2 3.43Å | ||
| 172 | K | 90.9 | Very high | 81 | Confident | 190 Ų | 190 | 105 Ų | 105 | 83% | 0.826 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.8 | -179.6 | -60.4 | 179.1 | -176.7 | 177.2 | 0 | 113.1 | I170 | I170-K172 PolarHBondContact O-N 3.22Š|
| 173 | F | 89.6 | Confident | 82.9 | Confident | 125 Ų | 125 | 102 Ų | 102 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -33.1 | -176.9 | -59.2 | -77.4 | 0 | 0 | 0 | 113.7 | C171 E188 H191 T192 | C171-F173 VanDerWaalsContact C-N 3.26Å; C171-F173 PolarHBondContact O-N 3.44Å; F173-E188 HydrophobicContact CD2-CG 4.41Å; F173-E188 HydrophobicContact CE2-CG 4.43Å; F173-H191 HydrophobicContact CB-CB 4.17Å; F173-H191 HydrophobicContact CD1-CB 4.24Å; F173-H191 HydrophobicContact CD2-CB 3.73Å; F173-H191 AromaticContact CD2-CD2 3.69Å; F173-H191 AromaticContact CD2-CG 3.8Å; F173-H191 HydrophobicContact CE2-CB 4.14Å; F173-H191 HydrophobicContact CG-CB 3.78Å; F173-H191 AromaticContact CG-CD2 3.92Å; F173-H191 AromaticContact CG-CG 3.72Å; F173-T192 HydrophobicContact CE2-CG2 4.35Å; F173-T192 HydrophobicContact CZ-CG2 4.15Å |
| 174 | C | 92 | Very high | 84.5 | Confident | 56 Ų | 56 | 98 Ų | 98 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 3 | -171.6 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | R176 H187 | C174-R176 PolarHBondContact O-N 2.72Å; C174-R176 VanDerWaalsContact O-N 3.12Å; C174-H187 PolarHBondContact SG-NE2 3.39Å |
| 175 | G | 87.7 | Confident | 86 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | trans | 67.7 | 9.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C171 H177 | C171-G175 VanDerWaalsContact O-CA 3.27Å; C171-G175 WeakPolarHBondContact O-CA 3.42Å; C171-G175 PolarHBondContact O-N 3.09Å; G175-H177 PolarHBondContact O-CD2 2.74Å | ||
| 176 | R | 90 | Very high | 87.7 | Confident | 160 Ų | 160 | 87.8 Ų | 87.8 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | trans | -68.7 | 136.2 | 178.2 | -76.5 | -178 | -178.1 | -173.3 | 2 | 111.4 | I170 C171 C174 F178 | I170-R176 WeakPolarHBondContact CA-O 3.29Å; C171-R176 HydrophobicContact CB-CB 4.46Å; C171-R176 PolarHBondContact N-O 2.98Å; C174-R176 PolarHBondContact O-N 2.72Å; C174-R176 VanDerWaalsContact O-N 3.12Å; R176-F178 HydrophobicContact CB-CE2 3.71Å; R176-F178 HydrophobicContact CB-CZ 4.05Å; R176-F178 WeakPolarHBondContact O-CD2 3.25Å; R176-F178 WeakPolarHBondContact O-CE2 3.22Å | ||
| 177 | H | 91 | Very high | 89 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.6 | 178.9 | -63.2 | -114.5 | 0 | 0 | 0 | 111 | E168 F169 G175 | E168-H177 IonicContact OE2-CE1 3.58Å; E168-H177 IonicContact OE2-CG 3.69Å; E168-H177 IonicContact OE2-ND1 2.65Å; E168-H177 PolarHBondContact OE2-ND1 3.31Å; F169-H177 CarbonylContact O-C 3.54Å; G175-H177 PolarHBondContact O-CD2 2.74Å |
| 178 | F | 90.5 | Very high | 89.9 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 18% | 0.18 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.3 | 177.2 | -63.2 | -88 | 0 | 0 | 0 | 109.9 | F169 C171 R176 K180 N183 L184 H187 | F169-F178 HydrophobicContact CB-CB 4.25Å; F169-F178 PolarHBondContact N-O 3.15Å; F169-F178 WeakPolarHBondContact O-CB 3.31Å; F169-F178 PolarHBondContact O-N 2.99Å; C171-F178 HydrophobicContact CB-CE2 4.13Å; R176-F178 HydrophobicContact CB-CE2 3.71Å; R176-F178 HydrophobicContact CB-CZ 4.05Å; R176-F178 WeakPolarHBondContact O-CD2 3.25Å; R176-F178 WeakPolarHBondContact O-CE2 3.22Å; F178-K180 VanDerWaalsContact C-N 3.28Å; F178-K180 PolarHBondContact O-N 3.3Å; F178-N183 HydrophobicContact CB-CB 4.39Å; F178-N183 HydrophobicContact CD1-CB 3.83Å; F178-N183 HydrophobicContact CG-CB 4.42Å; F178-L184 HydrophobicContact CB-CB 4.18Å; F178-L184 HydrophobicContact CD2-CB 3.99Å; F178-L184 HydrophobicContact CD2-CD1 3.82Å; F178-L184 HydrophobicContact CE2-CD1 4.06Å; F178-L184 HydrophobicContact CG-CB 4.18Å; F178-H187 HydrophobicContact CE1-CB 3.92Å; F178-H187 HydrophobicContact CE2-CB 4.01Å; F178-H187 AromaticContact CE2-CD2 3.46Å; F178-H187 VanDerWaalsContact CE2-CD2 3.46Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.29Å; F178-H187 AromaticContact CE2-CG 3.75Å; F178-H187 HydrophobicContact CZ-CB 3.45Å; F178-H187 VanDerWaalsContact CZ-CB 3.45Å; F178-H187 AromaticContact CZ-CD2 3.43Å; F178-H187 VanDerWaalsContact CZ-CD2 3.43Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CG 3.24Å; F178-H187 AromaticContact CZ-ND1 3.85Å |
| 179 | T | 89.9 | Confident | 90.2 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -80.9 | -9.7 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | K166 | K166-T179 VanDerWaalsContact CE-O 3.28Å; K166-T179 WeakPolarHBondContact CE-O 3.09Å |
| 180 | K | 89.3 | Confident | 90.2 | Very high | 98 Ų | 98 | 73.2 Ų | 73.2 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -143.6 | 139.4 | -176.9 | -55.3 | -173 | -175.5 | 179.9 | 0 | 110.3 | F169 F178 Y182 N183 L184 | F169-K180 VanDerWaalsContact CD2-C 3.45Å; F178-K180 VanDerWaalsContact C-N 3.28Å; F178-K180 PolarHBondContact O-N 3.3Å; K180-Y182 HydrophobicContact CB-CD1 3.89Å; K180-Y182 HydrophobicContact CB-CE1 3.84Å; K180-Y182 HydrophobicContact CD-CD1 4.1Å; K180-Y182 HydrophobicContact CD-CE1 3.28Å; K180-Y182 HydrophobicContact CG-CE1 4.21Å; K180-Y182 PolarHBondContact O-N 3.4Å; K180-N183 PolarHBondContact O-N 3.21Å; K180-L184 PolarHBondContact O-N 3.26Å |
| 181 | S | 89.9 | Confident | 90.1 | Very high | 69 Ų | 69 | 72.7 Ų | 72.7 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | F169 N183 L184 L185 | F169-S181 VanDerWaalsContact CD2-N 3.31Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.25Å; S181-L184 WeakPolarHBondContact O-CB 3.4Å; S181-L184 PolarHBondContact O-N 3.43Å; S181-L184 VanDerWaalsContact O-N 3.09Å; S181-L185 PolarHBondContact O-N 3.5Å |
| 182 | Y | 88.5 | Confident | 89.8 | Confident | 116 Ų | 116 | 75.6 Ų | 75.6 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -32.3 | -179.7 | 83.5 | -100.6 | 0 | 0 | 0 | 112.3 | K180 L185 I186 | K180-Y182 HydrophobicContact CB-CD1 3.89Å; K180-Y182 HydrophobicContact CB-CE1 3.84Å; K180-Y182 HydrophobicContact CD-CD1 4.1Å; K180-Y182 HydrophobicContact CD-CE1 3.28Å; K180-Y182 HydrophobicContact CG-CE1 4.21Å; K180-Y182 PolarHBondContact O-N 3.4Å; Y182-L185 PolarHBondContact O-N 3.43Å; Y182-I186 HydrophobicContact CD2-CD1 3.94Å; Y182-I186 HydrophobicContact CE2-CD1 4.44Å; Y182-I186 VanDerWaalsContact O-CG1 3.31Å; Y182-I186 WeakPolarHBondContact O-CG1 3.25Å; Y182-I186 PolarHBondContact O-N 3.12Å |
| 183 | N | 90.5 | Very high | 89.6 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 175.9 | -75.5 | -38.3 | 0 | 0 | 0 | 110.7 | F178 K180 S181 H187 | F178-N183 HydrophobicContact CB-CB 4.39Å; F178-N183 HydrophobicContact CD1-CB 3.83Å; F178-N183 HydrophobicContact CG-CB 4.42Å; K180-N183 PolarHBondContact O-N 3.21Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.25Å; N183-H187 VanDerWaalsContact O-CB 3.26Å; N183-H187 WeakPolarHBondContact O-CB 3.14Å; N183-H187 PolarHBondContact O-N 2.72Å |
| 184 | L | 91.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 172.9 | 169.8 | 62.5 | 0 | 0 | 0 | 110.4 | F169 C171 F178 K180 S181 I186 H187 E188 | F169-L184 HydrophobicContact CB-CB 3.95Å; F169-L184 HydrophobicContact CB-CD2 3.73Å; F169-L184 HydrophobicContact CB-CG 4.44Å; C171-L184 VanDerWaalsContact CA-CD1 3.41Å; C171-L184 HydrophobicContact CB-CD1 3.68Å; F178-L184 HydrophobicContact CB-CB 4.18Å; F178-L184 HydrophobicContact CD2-CB 3.99Å; F178-L184 HydrophobicContact CD2-CD1 3.82Å; F178-L184 HydrophobicContact CE2-CD1 4.06Å; F178-L184 HydrophobicContact CG-CB 4.18Å; K180-L184 PolarHBondContact O-N 3.26Å; S181-L184 WeakPolarHBondContact O-CB 3.4Å; S181-L184 PolarHBondContact O-N 3.43Å; S181-L184 VanDerWaalsContact O-N 3.09Å; L184-I186 PolarHBondContact O-N 3.19Å; L184-H187 CarbonylContact O-C 3.6Å; L184-H187 WeakPolarHBondContact O-CA 3.41Å; L184-H187 WeakPolarHBondContact O-CB 3.38Å; L184-H187 PolarHBondContact O-N 3.15Å; L184-E188 HydrophobicContact CD1-CG 3.84Å; L184-E188 HydrophobicContact CG-CG 4.31Å; L184-E188 WeakPolarHBondContact O-CG 3.43Å; L184-E188 PolarHBondContact O-N 2.99Å |
| 185 | L | 89.9 | Confident | 89.3 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 45% | 0.445 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | -179.4 | -177.5 | 69.2 | 0 | 0 | 0 | 112.3 | S181 Y182 H187 E188 R189 | S181-L185 PolarHBondContact O-N 3.5Å; Y182-L185 PolarHBondContact O-N 3.43Å; L185-H187 VanDerWaalsContact C-N 3.25Å; L185-H187 PolarHBondContact O-N 3.09Å; L185-E188 PolarHBondContact O-N 2.91Å; L185-R189 PolarHBondContact O-N 3.2Å |
| 186 | I | 89.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 176.2 | -69.6 | 170.3 | 0 | 0 | 0 | 111 | Y182 L184 R189 R208 | Y182-I186 HydrophobicContact CD2-CD1 3.94Å; Y182-I186 HydrophobicContact CE2-CD1 4.44Å; Y182-I186 VanDerWaalsContact O-CG1 3.31Å; Y182-I186 WeakPolarHBondContact O-CG1 3.25Å; Y182-I186 PolarHBondContact O-N 3.12Å; L184-I186 PolarHBondContact O-N 3.19Å; I186-R189 WeakPolarHBondContact O-CB 3.46Å; I186-R208 HydrophobicContact CD1-CG 4.49Å; I186-R208 HydrophobicContact CG2-CG 3.55Å |
| 187 | H | 90.1 | Very high | 89.4 | Confident | 23 Ų | 23 | 71 Ų | 71 | 11% | 0.106 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.1 | 173 | 67 | 0 | 0 | 0 | 112.1 | C171 C174 F178 N183 L184 L185 R189 T190 H191 | C171-H187 PolarHBondContact SG-CD2 3.43Å; C171-H187 PolarHBondContact SG-NE2 3.29Å; C171-H187 VanDerWaalsContact SG-NE2 3.43Å; C174-H187 PolarHBondContact SG-NE2 3.39Å; F178-H187 HydrophobicContact CE1-CB 3.92Å; F178-H187 HydrophobicContact CE2-CB 4.01Å; F178-H187 AromaticContact CE2-CD2 3.46Å; F178-H187 VanDerWaalsContact CE2-CD2 3.46Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.29Å; F178-H187 AromaticContact CE2-CG 3.75Å; F178-H187 HydrophobicContact CZ-CB 3.45Å; F178-H187 VanDerWaalsContact CZ-CB 3.45Å; F178-H187 AromaticContact CZ-CD2 3.43Å; F178-H187 VanDerWaalsContact CZ-CD2 3.43Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CG 3.24Å; F178-H187 AromaticContact CZ-ND1 3.85Å; N183-H187 VanDerWaalsContact O-CB 3.26Å; N183-H187 WeakPolarHBondContact O-CB 3.14Å; N183-H187 PolarHBondContact O-N 2.72Å; L184-H187 CarbonylContact O-C 3.6Å; L184-H187 WeakPolarHBondContact O-CA 3.41Å; L184-H187 WeakPolarHBondContact O-CB 3.38Å; L184-H187 PolarHBondContact O-N 3.15Å; L185-H187 VanDerWaalsContact C-N 3.25Å; L185-H187 PolarHBondContact O-N 3.09Å; H187-R189 PolarHBondContact O-N 3.5Å; H187-T190 WeakPolarHBondContact O-CA 3.44Å; H187-T190 VanDerWaalsContact O-CB 3.22Å; H187-T190 WeakPolarHBondContact O-CB 3.31Å; H187-T190 WeakPolarHBondContact O-CG2 3.46Å; H187-T190 PolarHBondContact O-N 2.91Å; H187-T190 PolarHBondContact O-OG1 3.39Å; H187-H191 AromaticContact CE1-NE2 3.59Å; H187-H191 AromaticContact NE2-CD2 3.89Å; H187-H191 AromaticContact NE2-NE2 3.18Å; H187-H191 PolarHBondContact NE2-NE2 3.41Å; H187-H191 VanDerWaalsContact NE2-NE2 3.18Å |
| 188 | E | 90.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 69 Ų | 69 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 177.7 | -74.7 | -179.3 | 152.9 | 0 | 0 | 112 | F173 L184 L185 T190 H191 T192 | F173-E188 HydrophobicContact CD2-CG 4.41Å; F173-E188 HydrophobicContact CE2-CG 4.43Å; L184-E188 HydrophobicContact CD1-CG 3.84Å; L184-E188 HydrophobicContact CG-CG 4.31Å; L184-E188 WeakPolarHBondContact O-CG 3.43Å; L184-E188 PolarHBondContact O-N 2.99Å; L185-E188 PolarHBondContact O-N 2.91Å; E188-T190 PolarHBondContact O-N 3.27Å; E188-H191 PolarHBondContact O-N 3.49Å; E188-T192 PolarHBondContact O-N 2.9Å |
| 189 | R | 90.8 | Very high | 89.4 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.2 | -16.2 | 169.5 | -64.4 | 178.2 | -178.6 | 163.5 | 1.7 | 114 | L185 I186 H187 H191 T192 D193 E194 R207 | L185-R189 PolarHBondContact O-N 3.2Å; I186-R189 WeakPolarHBondContact O-CB 3.46Å; H187-R189 PolarHBondContact O-N 3.5Å; R189-H191 VanDerWaalsContact C-N 3.32Å; R189-T192 WeakPolarHBondContact CA-OG1 3.19Å; R189-D193 PolarHBondContact O-N 3.25Å; R189-E194 HydrophobicContact CG-CB 4.25Å; R189-R207 HydrophobicContact CB-CB 4.42Å; R189-R207 PolarHBondContact NH1-O 3.21Å; R189-R207 WeakPolarHBondContact O-CD 3.33Å; R189-R207 PolarHBondContact O-NE 3.09Å; R189-R207 VanDerWaalsContact O-NE 3.12Å |
| 190 | T | 89.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 68 Ų | 68 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.8 | -20.7 | 174.1 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | H187 E188 R207 | H187-T190 WeakPolarHBondContact O-CA 3.44Å; H187-T190 VanDerWaalsContact O-CB 3.22Å; H187-T190 WeakPolarHBondContact O-CB 3.31Å; H187-T190 WeakPolarHBondContact O-CG2 3.46Å; H187-T190 PolarHBondContact O-N 2.91Å; H187-T190 PolarHBondContact O-OG1 3.39Å; E188-T190 PolarHBondContact O-N 3.27Å; T190-R207 PolarHBondContact O-NH2 3.32Å |
| 191 | H | 88.3 | Confident | 89.3 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -95.1 | -37.4 | 175.6 | -61.4 | -74.2 | 0 | 0 | 0 | 111.9 | F173 H187 E188 R189 D193 | F173-H191 HydrophobicContact CB-CB 4.17Å; F173-H191 HydrophobicContact CD1-CB 4.24Å; F173-H191 HydrophobicContact CD2-CB 3.73Å; F173-H191 AromaticContact CD2-CD2 3.69Å; F173-H191 AromaticContact CD2-CG 3.8Å; F173-H191 HydrophobicContact CE2-CB 4.14Å; F173-H191 HydrophobicContact CG-CB 3.78Å; F173-H191 AromaticContact CG-CD2 3.92Å; F173-H191 AromaticContact CG-CG 3.72Å; H187-H191 AromaticContact CE1-NE2 3.59Å; H187-H191 AromaticContact NE2-CD2 3.89Å; H187-H191 AromaticContact NE2-NE2 3.18Å; H187-H191 PolarHBondContact NE2-NE2 3.41Å; H187-H191 VanDerWaalsContact NE2-NE2 3.18Å; E188-H191 PolarHBondContact O-N 3.49Å; R189-H191 VanDerWaalsContact C-N 3.32Å; H191-D193 VanDerWaalsContact C-N 3.33Å |
| 192 | T | 86.7 | Confident | 89.2 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85.9 | -5.1 | -178.7 | 61.3 | 0 | 0 | 0 | 0 | 114 | F173 E188 R189 E194 | F173-T192 HydrophobicContact CE2-CG2 4.35Å; F173-T192 HydrophobicContact CZ-CG2 4.15Å; E188-T192 PolarHBondContact O-N 2.9Å; R189-T192 WeakPolarHBondContact CA-OG1 3.19Å; T192-E194 PolarHBondContact O-N 2.71Å; T192-E194 WeakPolarHBondContact OG1-CG 3.47Å |
| 193 | D | 85.4 | Confident | 89.2 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | trans | 56 | 13.9 | -174.9 | -88.4 | -48.2 | 0 | 0 | 0 | 115.9 | R189 H191 R195 R207 | R189-D193 PolarHBondContact O-N 3.25Å; H191-D193 VanDerWaalsContact C-N 3.33Å; D193-R195 PolarHBondContact O-N 2.81Å; D193-R207 IonicContact OD1-CZ 2.64Å; D193-R207 IonicContact OD1-NH2 3.51Å; D193-R207 PolarHBondContact OD1-NH2 3.13Å | ||
| 194 | E | 86.9 | Confident | 89.1 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | trans | -63.3 | 123.4 | 177.2 | -74.7 | 176.5 | -165.7 | 0 | 0 | 112 | R189 T192 P196 R207 | R189-E194 HydrophobicContact CG-CB 4.25Å; T192-E194 PolarHBondContact O-N 2.71Å; T192-E194 WeakPolarHBondContact OG1-CG 3.47Å; E194-P196 WeakPolarHBondContact O-CD 3.5Å; E194-R207 WeakPolarHBondContact O-CG 3.44Å | ||
| 195 | R | 88.9 | Confident | 89 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | trans | -124.9 | 77.1 | -179.8 | -68.2 | 169 | -178.1 | -149.3 | 10.9 | 110.4 | D193 Y197 A205 F206 R207 | D193-R195 PolarHBondContact O-N 2.81Å; R195-Y197 PolarHBondContact O-N 2.92Å; R195-A205 HydrophobicContact CB-CB 3.47Å; R195-A205 VanDerWaalsContact CB-CB 3.47Å; R195-A205 WeakPolarHBondContact CD-O 3.45Å; R195-A205 HydrophobicContact CG-CB 4.34Å; R195-A205 PolarHBondContact NH1-O 2.65Å; R195-F206 CarbonylContact C-O 3.59Å; R195-F206 WeakPolarHBondContact CA-O 3.48Å; R195-R207 HydrophobicContact CG-CG 3.83Å | ||
| 196 | P | 88.6 | Confident | 88.9 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | trans | -71.5 | -10.7 | -172.7 | 27 | -33.7 | 0 | 0 | 0 | 114.2 | E194 | E194-P196 WeakPolarHBondContact O-CD 3.5Š| ||
| 197 | Y | 91.3 | Very high | 88.8 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.8 | -176.2 | -54.1 | -74.8 | 0 | 0 | 0 | 110.5 | R195 A205 F206 Q209 | R195-Y197 PolarHBondContact O-N 2.92Å; Y197-A205 CarbonylContact O-C 3.58Å; Y197-A205 WeakPolarHBondContact O-CA 3.42Å; Y197-F206 PolarHBondContact N-O 3.11Å; Y197-F206 VanDerWaalsContact N-O 3.15Å; Y197-F206 PolarHBondContact O-N 3.4Å; Y197-Q209 HydrophobicContact CD1-CB 3.91Å; Y197-Q209 HydrophobicContact CD1-CG 4.24Å; Y197-Q209 HydrophobicContact CD2-CB 4.45Å; Y197-Q209 HydrophobicContact CE1-CB 3.69Å; Y197-Q209 HydrophobicContact CE1-CG 4.18Å; Y197-Q209 HydrophobicContact CE2-CB 4.23Å; Y197-Q209 HydrophobicContact CG-CB 4.29Å |
| 198 | T | 90.9 | Very high | 88.7 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 145.5 | 178.1 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | K204 A205 L212 | T198-K204 CarbonylContact C-O 3.51Å; T198-K204 WeakPolarHBondContact CA-O 3.39Å; T198-A205 HydrophobicContact CG2-CB 3.89Å; T198-L212 VanDerWaalsContact O-CD2 3.29Å; T198-L212 WeakPolarHBondContact O-CD2 3.34Å |
| 199 | C | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -80.1 | 129.7 | 171.9 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | I201 H203 K204 F206 L212 H215 | C199-I201 PolarHBondContact O-N 3.01Å; C199-H203 WeakPolarHBondContact O-CA 3.21Å; C199-H203 PolarHBondContact O-N 3.37Å; C199-K204 PolarHBondContact N-O 3.47Å; C199-F206 HydrophobicContact CB-CE2 4.38Å; C199-L212 HydrophobicContact CB-CD1 3.68Å; C199-H215 VanDerWaalsContact SG-CD2 3.58Å | ||
| 200 | D | 89.6 | Confident | 88.4 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 57% | 0.567 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.7 | -178.5 | -48.6 | -53.9 | 0 | 0 | 0 | 112.6 | R216 | D200-R216 IonicContact OD2-CZ 2.63Å; D200-R216 IonicContact OD2-NH2 3.4Å; D200-R216 PolarHBondContact OD2-NH2 3.36Å |
| 201 | I | 87.1 | Confident | 88.3 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 55% | 0.554 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -46.2 | -174.7 | -57.7 | 172.4 | 0 | 0 | 0 | 111.5 | C199 H219 | C199-I201 PolarHBondContact O-N 3.01Å; I201-H219 HydrophobicContact CD1-CB 3.44Å; I201-H219 VanDerWaalsContact CD1-CB 3.44Å; I201-H219 HydrophobicContact CG2-CB 4.33Å |
| 202 | C | 88.5 | Confident | 88.3 | Confident | 42 Ų | 42 | 77 Ų | 77 | 28% | 0.284 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 4.8 | -178 | 66.9 | 0 | 0 | 0 | 0 | 114 | K204 H215 H219 | C202-K204 PolarHBondContact O-N 3.46Å; C202-K204 VanDerWaalsContact SG-CB 3.55Å; C202-H215 PolarHBondContact SG-NE2 3.23Å; C202-H219 PolarHBondContact SG-NE2 3.43Å |
| 203 | H | 88.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 80.7 Ų | 80.7 | 68% | 0.676 | 39% | 0.385 | S | S | * | . | trans | 58 | 10.9 | -179.2 | -54.1 | -53.6 | 0 | 0 | 0 | 115.6 | C199 A205 | C199-H203 WeakPolarHBondContact O-CA 3.21Å; C199-H203 PolarHBondContact O-N 3.37Å; H203-A205 PolarHBondContact O-N 3.01Å | ||
| 204 | K | 88.3 | Confident | 88.3 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | trans | -66.6 | 129.3 | 176.3 | -165.1 | 174.2 | -170.7 | -174.1 | 0 | 110.7 | T198 C199 C202 F206 | T198-K204 CarbonylContact C-O 3.51Å; T198-K204 WeakPolarHBondContact CA-O 3.39Å; C199-K204 PolarHBondContact N-O 3.47Å; C202-K204 PolarHBondContact O-N 3.46Å; C202-K204 VanDerWaalsContact SG-CB 3.55Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 4.31Å; K204-F206 HydrophobicContact CD-CE2 4.47Å; K204-F206 HydrophobicContact CD-CZ 3.9Å; K204-F206 HydrophobicContact CG-CE2 4.14Å; K204-F206 HydrophobicContact CG-CZ 4.04Å; K204-F206 WeakPolarHBondContact O-CD2 3.43Å; K204-F206 VanDerWaalsContact O-CE2 3.31Å; K204-F206 WeakPolarHBondContact O-CE2 3.41Å | ||
| 205 | A | 88.9 | Confident | 88.2 | Confident | 27 Ų | 27 | 73 Ų | 73 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R195 Y197 T198 H203 | R195-A205 HydrophobicContact CB-CB 3.47Å; R195-A205 VanDerWaalsContact CB-CB 3.47Å; R195-A205 WeakPolarHBondContact CD-O 3.45Å; R195-A205 HydrophobicContact CG-CB 4.34Å; R195-A205 PolarHBondContact NH1-O 2.65Å; Y197-A205 CarbonylContact O-C 3.58Å; Y197-A205 WeakPolarHBondContact O-CA 3.42Å; T198-A205 HydrophobicContact CG2-CB 3.89Å; H203-A205 PolarHBondContact O-N 3.01Å |
| 206 | F | 87.8 | Confident | 88 | Confident | 33 Ų | 33 | 72.3 Ų | 72.3 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.7 | -177.5 | -61.2 | -89.9 | 0 | 0 | 0 | 111.2 | R195 Y197 C199 K204 R208 H211 L212 H215 | R195-F206 CarbonylContact C-O 3.59Å; R195-F206 WeakPolarHBondContact CA-O 3.48Å; Y197-F206 PolarHBondContact N-O 3.11Å; Y197-F206 VanDerWaalsContact N-O 3.15Å; Y197-F206 PolarHBondContact O-N 3.4Å; C199-F206 HydrophobicContact CB-CE2 4.38Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 4.31Å; K204-F206 HydrophobicContact CD-CE2 4.47Å; K204-F206 HydrophobicContact CD-CZ 3.9Å; K204-F206 HydrophobicContact CG-CE2 4.14Å; K204-F206 HydrophobicContact CG-CZ 4.04Å; K204-F206 WeakPolarHBondContact O-CD2 3.43Å; K204-F206 VanDerWaalsContact O-CE2 3.31Å; K204-F206 WeakPolarHBondContact O-CE2 3.41Å; F206-R208 VanDerWaalsContact C-N 3.31Å; F206-H211 HydrophobicContact CD1-CB 4.05Å; F206-L212 HydrophobicContact CB-CB 4.41Å; F206-L212 HydrophobicContact CD2-CB 3.99Å; F206-L212 HydrophobicContact CD2-CD1 3.85Å; F206-L212 HydrophobicContact CE2-CD1 3.97Å; F206-L212 HydrophobicContact CG-CB 4.33Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 4.07Å; F206-H215 AromaticContact CE2-CD2 3.42Å; F206-H215 VanDerWaalsContact CE2-CD2 3.42Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.47Å; F206-H215 AromaticContact CE2-CG 3.73Å; F206-H215 AromaticContact CE2-NE2 3.98Å; F206-H215 HydrophobicContact CZ-CB 3.55Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.3Å; F206-H215 AromaticContact CZ-CG 3.25Å; F206-H215 AromaticContact CZ-ND1 3.68Å; F206-H215 AromaticContact CZ-NE2 3.91Å |
| 207 | R | 88.5 | Confident | 87.7 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.3 | -19.3 | 177 | -59.4 | -175.6 | 178.1 | 153.6 | -8.6 | 113.2 | R189 T190 D193 E194 R195 | R189-R207 HydrophobicContact CB-CB 4.42Å; R189-R207 PolarHBondContact NH1-O 3.21Å; R189-R207 WeakPolarHBondContact O-CD 3.33Å; R189-R207 PolarHBondContact O-NE 3.09Å; R189-R207 VanDerWaalsContact O-NE 3.12Å; T190-R207 PolarHBondContact O-NH2 3.32Å; D193-R207 IonicContact OD1-CZ 2.64Å; D193-R207 IonicContact OD1-NH2 3.51Å; D193-R207 PolarHBondContact OD1-NH2 3.13Å; E194-R207 WeakPolarHBondContact O-CG 3.44Å; R195-R207 HydrophobicContact CG-CG 3.83Å |
| 208 | R | 87.9 | Confident | 87.2 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -136 | 145.3 | -176 | -59.3 | 167.9 | 49.2 | 166.4 | 9.1 | 112.3 | I186 F206 D210 H211 L212 | I186-R208 HydrophobicContact CD1-CG 4.49Å; I186-R208 HydrophobicContact CG2-CG 3.55Å; F206-R208 VanDerWaalsContact C-N 3.31Å; R208-D210 WeakPolarHBondContact CB-OD1 3.49Å; R208-D210 IonicContact CZ-OD1 3.54Å; R208-D210 IonicContact CZ-OD2 3.56Å; R208-D210 IonicContact NE-OD1 3.82Å; R208-D210 PolarHBondContact NE-OD1 2.86Å; R208-D210 IonicContact NE-OD2 2.91Å; R208-D210 IonicContact NH2-OD1 2.77Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.48Å; R208-D210 PolarHBondContact NH2-OD2 3.15Å; R208-H211 HydrophobicContact CB-CB 4.49Å; R208-H211 VanDerWaalsContact CD-NE2 3.31Å; R208-H211 WeakPolarHBondContact CD-NE2 3.48Å; R208-H211 PolarHBondContact NE-NE2 3.45Å; R208-H211 PolarHBondContact NH1-NE2 2.99Å; R208-H211 PolarHBondContact O-N 2.91Å; R208-L212 PolarHBondContact O-N 3.29Å |
| 209 | Q | 88.7 | Confident | 86.7 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.9 | -37 | -178.3 | -172.1 | 177.5 | -4.1 | 0 | 0 | 113 | Y197 H211 L212 R213 | Y197-Q209 HydrophobicContact CD1-CB 3.91Å; Y197-Q209 HydrophobicContact CD1-CG 4.24Å; Y197-Q209 HydrophobicContact CD2-CB 4.45Å; Y197-Q209 HydrophobicContact CE1-CB 3.69Å; Y197-Q209 HydrophobicContact CE1-CG 4.18Å; Y197-Q209 HydrophobicContact CE2-CB 4.23Å; Y197-Q209 HydrophobicContact CG-CB 4.29Å; Q209-H211 VanDerWaalsContact C-N 3.29Å; Q209-H211 PolarHBondContact O-N 2.99Å; Q209-L212 PolarHBondContact O-N 3.19Å; Q209-R213 PolarHBondContact O-N 3.26Å |
| 210 | D | 86.1 | Confident | 86 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 177.6 | 59.9 | -40.5 | 0 | 0 | 0 | 111.5 | R208 R213 D214 | R208-D210 WeakPolarHBondContact CB-OD1 3.49Å; R208-D210 IonicContact CZ-OD1 3.54Å; R208-D210 IonicContact CZ-OD2 3.56Å; R208-D210 IonicContact NE-OD1 3.82Å; R208-D210 PolarHBondContact NE-OD1 2.86Å; R208-D210 IonicContact NE-OD2 2.91Å; R208-D210 IonicContact NH2-OD1 2.77Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.48Å; R208-D210 PolarHBondContact NH2-OD2 3.15Å; D210-R213 PolarHBondContact O-N 3.4Å; D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.4Å |
| 211 | H | 86.4 | Confident | 85.3 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 172.8 | -63.4 | -26.6 | 0 | 0 | 0 | 113 | F206 R208 Q209 D214 H215 | F206-H211 HydrophobicContact CD1-CB 4.05Å; R208-H211 HydrophobicContact CB-CB 4.49Å; R208-H211 VanDerWaalsContact CD-NE2 3.31Å; R208-H211 WeakPolarHBondContact CD-NE2 3.48Å; R208-H211 PolarHBondContact NE-NE2 3.45Å; R208-H211 PolarHBondContact NH1-NE2 2.99Å; R208-H211 PolarHBondContact O-N 2.91Å; Q209-H211 VanDerWaalsContact C-N 3.29Å; Q209-H211 PolarHBondContact O-N 2.99Å; H211-D214 PolarHBondContact O-N 3.32Å; H211-H215 WeakPolarHBondContact O-CB 3.47Å; H211-H215 PolarHBondContact O-N 3.22Å |
| 212 | L | 88.8 | Confident | 84.7 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 172.8 | 171.3 | 62.1 | 0 | 0 | 0 | 111.2 | T198 C199 F206 R208 Q209 D214 H215 R216 | T198-L212 VanDerWaalsContact O-CD2 3.29Å; T198-L212 WeakPolarHBondContact O-CD2 3.34Å; C199-L212 HydrophobicContact CB-CD1 3.68Å; F206-L212 HydrophobicContact CB-CB 4.41Å; F206-L212 HydrophobicContact CD2-CB 3.99Å; F206-L212 HydrophobicContact CD2-CD1 3.85Å; F206-L212 HydrophobicContact CE2-CD1 3.97Å; F206-L212 HydrophobicContact CG-CB 4.33Å; R208-L212 PolarHBondContact O-N 3.29Å; Q209-L212 PolarHBondContact O-N 3.19Å; L212-D214 PolarHBondContact O-N 3.29Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.45Å; L212-R216 PolarHBondContact O-N 2.63Å |
| 213 | R | 87.2 | Confident | 84.2 | Confident | 140 Ų | 140 | 76.3 Ų | 76.3 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 176.8 | -178.9 | -173.5 | 64.2 | -164.8 | -3.3 | 111 | Q209 D210 H215 R216 | Q209-R213 PolarHBondContact O-N 3.26Å; D210-R213 PolarHBondContact O-N 3.4Å; R213-H215 VanDerWaalsContact C-N 3.26Å; R213-H215 PolarHBondContact O-N 3.12Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 3.46Å; R213-R216 VanDerWaalsContact O-N 3.15Å |
| 214 | D | 84.1 | Confident | 83.8 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 15% | 0.15 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | -179.6 | -65 | -6.3 | 0 | 0 | 0 | 111.3 | D210 H211 L212 Y217 Q236 | D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.4Å; H211-D214 PolarHBondContact O-N 3.32Å; L212-D214 PolarHBondContact O-N 3.29Å; D214-Y217 WeakPolarHBondContact O-CD2 3.31Å; D214-Y217 PolarHBondContact O-N 3.44Å; D214-Q236 HydrophobicContact CB-CG 4.27Å |
| 215 | H | 85.3 | Confident | 83.5 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 174.1 | 169.2 | 70.7 | 0 | 0 | 0 | 113 | C199 C202 F206 H211 L212 R213 Y217 I218 H219 | C199-H215 VanDerWaalsContact SG-CD2 3.58Å; C202-H215 PolarHBondContact SG-NE2 3.23Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 4.07Å; F206-H215 AromaticContact CE2-CD2 3.42Å; F206-H215 VanDerWaalsContact CE2-CD2 3.42Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.47Å; F206-H215 AromaticContact CE2-CG 3.73Å; F206-H215 AromaticContact CE2-NE2 3.98Å; F206-H215 HydrophobicContact CZ-CB 3.55Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.3Å; F206-H215 AromaticContact CZ-CG 3.25Å; F206-H215 AromaticContact CZ-ND1 3.68Å; F206-H215 AromaticContact CZ-NE2 3.91Å; H211-H215 WeakPolarHBondContact O-CB 3.47Å; H211-H215 PolarHBondContact O-N 3.22Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.45Å; R213-H215 VanDerWaalsContact C-N 3.26Å; R213-H215 PolarHBondContact O-N 3.12Å; H215-Y217 PolarHBondContact O-N 3.36Å; H215-I218 VanDerWaalsContact O-CB 3.25Å; H215-I218 WeakPolarHBondContact O-CB 3.35Å; H215-I218 VanDerWaalsContact O-CG1 3.29Å; H215-I218 WeakPolarHBondContact O-CG1 2.99Å; H215-I218 PolarHBondContact O-N 3.03Å; H215-H219 AromaticContact CE1-NE2 3.69Å; H215-H219 AromaticContact NE2-CD2 3.88Å; H215-H219 AromaticContact NE2-NE2 3.27Å; H215-H219 PolarHBondContact NE2-NE2 3.47Å |
| 216 | R | 84.8 | Confident | 83.2 | Confident | 111 Ų | 111 | 76 Ų | 76 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -27.6 | 177.1 | -76.3 | 179.9 | 175.5 | 170.7 | -1.8 | 113 | D200 L212 R213 I218 H219 S220 | D200-R216 IonicContact OD2-CZ 2.63Å; D200-R216 IonicContact OD2-NH2 3.4Å; D200-R216 PolarHBondContact OD2-NH2 3.36Å; L212-R216 PolarHBondContact O-N 2.63Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 3.46Å; R213-R216 VanDerWaalsContact O-N 3.15Å; R216-I218 PolarHBondContact O-N 3.23Å; R216-H219 PolarHBondContact O-N 2.9Å; R216-S220 PolarHBondContact O-N 3.28Å |
| 217 | Y | 82.9 | Confident | 83.1 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -22.9 | 174.5 | -61.3 | -55.7 | 0 | 0 | 0 | 113.5 | D214 H215 H219 K221 P224 C235 | D214-Y217 WeakPolarHBondContact O-CD2 3.31Å; D214-Y217 PolarHBondContact O-N 3.44Å; H215-Y217 PolarHBondContact O-N 3.36Å; Y217-H219 VanDerWaalsContact C-N 3.3Å; Y217-K221 WeakPolarHBondContact O-CA 3.1Å; Y217-K221 PolarHBondContact O-N 2.93Å; Y217-P224 HydrophobicContact CD1-CG 4.38Å; Y217-P224 HydrophobicContact CE1-CG 4.09Å; Y217-C235 VanDerWaalsContact CB-SG 3.57Å; Y217-C235 HydrophobicContact CD2-CB 4.25Å; Y217-C235 WeakPolarHBondContact CD2-O 3.36Å; Y217-C235 HydrophobicContact CG-CB 4.39Å |
| 218 | I | 80.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 173.1 | -52.1 | 178.5 | 0 | 0 | 0 | 110.1 | H215 R216 V267 | H215-I218 VanDerWaalsContact O-CB 3.25Å; H215-I218 WeakPolarHBondContact O-CB 3.35Å; H215-I218 VanDerWaalsContact O-CG1 3.29Å; H215-I218 WeakPolarHBondContact O-CG1 2.99Å; H215-I218 PolarHBondContact O-N 3.03Å; R216-I218 PolarHBondContact O-N 3.23Å; I218-V267 HydrophobicContact CD1-CG1 3.59Å; I218-V267 HydrophobicContact CG1-CG1 4.22Å |
| 219 | H | 80.6 | Confident | 82.7 | Confident | 49 Ų | 49 | 82 Ų | 82 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.8 | -40.4 | 178.9 | -65.2 | -60.3 | 0 | 0 | 0 | 112.5 | I201 C202 H215 R216 Y217 K221 | I201-H219 HydrophobicContact CD1-CB 3.44Å; I201-H219 VanDerWaalsContact CD1-CB 3.44Å; I201-H219 HydrophobicContact CG2-CB 4.33Å; C202-H219 PolarHBondContact SG-NE2 3.43Å; H215-H219 AromaticContact CE1-NE2 3.69Å; H215-H219 AromaticContact NE2-CD2 3.88Å; H215-H219 AromaticContact NE2-NE2 3.27Å; H215-H219 PolarHBondContact NE2-NE2 3.47Å; R216-H219 PolarHBondContact O-N 2.9Å; Y217-H219 VanDerWaalsContact C-N 3.3Å; H219-K221 PolarHBondContact O-N 3.21Å |
| 220 | S | 76.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.2 | -14.9 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | R216 E222 | R216-S220 PolarHBondContact O-N 3.28Å; S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 WeakPolarHBondContact OG-CB 3.5Å; S220-E222 PolarHBondContact OG-N 2.88Å; S220-E222 PolarHBondContact OG-OE2 3.32Å |
| 221 | K | 74.6 | Confident | 82.1 | Confident | 167 Ų | 167 | 78.4 Ų | 78.4 | 73% | 0.726 | 38% | 0.38 | S | S | * | . | trans | 54.8 | 12.2 | -169.8 | -56.6 | 179.8 | -179.2 | -179.8 | 0 | 113.1 | Y217 H219 K223 | Y217-K221 WeakPolarHBondContact O-CA 3.1Å; Y217-K221 PolarHBondContact O-N 2.93Å; H219-K221 PolarHBondContact O-N 3.21Å; K221-K223 PolarHBondContact O-N 3.35Å | ||
| 222 | E | 73.1 | Confident | 81.8 | Confident | 125 Ų | 125 | 78.1 Ų | 78.1 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | trans | -75.8 | 125.5 | 178.5 | -67.5 | 177.9 | 156.8 | 0 | 0 | 108.6 | S220 P224 | S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 WeakPolarHBondContact OG-CB 3.5Å; S220-E222 PolarHBondContact OG-N 2.88Å; S220-E222 PolarHBondContact OG-OE2 3.32Å; E222-P224 VanDerWaalsContact C-CD 3.41Å; E222-P224 WeakPolarHBondContact O-CD 3.48Å | ||
| 223 | K | 78.8 | Confident | 81.4 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | trans | -109.7 | 80.3 | 176.5 | -58 | -172 | -169.4 | -157.3 | 0 | 108.3 | K221 F225 G233 F234 C269 D270 | K221-K223 PolarHBondContact O-N 3.35Å; K223-F225 PolarHBondContact O-N 2.62Å; K223-G233 WeakPolarHBondContact CD-O 3.31Å; K223-F234 CarbonylContact C-O 3.57Å; K223-C269 WeakPolarHBondContact CE-SG 3.49Å; K223-C269 PolarHBondContact NZ-SG 3.43Å; K223-D270 IonicContact NZ-OD1 3.69Å | ||
| 224 | P | 79.3 | Confident | 81.1 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -65.6 | -23.8 | -173.3 | 23.3 | -32.6 | 0 | 0 | 0 | 112.8 | Y217 E222 | Y217-P224 HydrophobicContact CD1-CG 4.38Å; Y217-P224 HydrophobicContact CE1-CG 4.09Å; E222-P224 VanDerWaalsContact C-CD 3.41Å; E222-P224 WeakPolarHBondContact O-CD 3.48Å | ||
| 225 | F | 82.8 | Confident | 80.9 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 101.2 | -177.7 | -55.9 | -73.2 | 0 | 0 | 0 | 110.2 | K223 G233 F234 C235 L240 | K223-F225 PolarHBondContact O-N 2.62Å; F225-G233 CarbonylContact O-C 3.33Å; F225-G233 WeakPolarHBondContact O-CA 3.38Å; F225-F234 HydrophobicContact CB-CB 4.23Å; F225-F234 WeakPolarHBondContact CB-O 3.47Å; F225-F234 PolarHBondContact N-O 3.27Å; F225-F234 VanDerWaalsContact N-O 3.13Å; F225-F234 PolarHBondContact O-N 3.03Å; F225-C235 WeakPolarHBondContact CE2-O 3.26Å; F225-L240 HydrophobicContact CB-CB 4.23Å; F225-L240 HydrophobicContact CB-CD2 3.87Å |
| 226 | K | 83.3 | Confident | 80.7 | Confident | 145 Ų | 145 | 73.1 Ų | 73.1 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.3 | 178.2 | -62.3 | -178.2 | -177 | 179.2 | 0 | 111.6 | K232 | K226-K232 CarbonylContact C-O 3.51Å; K226-K232 WeakPolarHBondContact CA-O 3.45Å |
| 227 | C | 84.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | trans | -75.8 | 128.3 | 167.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | G231 K232 F234 L240 H243 | C227-G231 WeakPolarHBondContact O-CA 3.37Å; C227-G231 PolarHBondContact O-N 3.05Å; C227-K232 PolarHBondContact N-O 3.34Å; C227-F234 HydrophobicContact CB-CE2 4.25Å; C227-L240 HydrophobicContact CB-CD1 3.72Å; C227-H243 PolarHBondContact SG-NE2 3.18Å; C227-H243 VanDerWaalsContact SG-NE2 3.4Å | ||
| 228 | Q | 85.1 | Confident | 80.7 | Confident | 186 Ų | 186 | 78.3 Ų | 78.3 | 87% | 0.869 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.8 | 178.2 | -74.4 | 178.2 | -19.9 | 0 | 0 | 112.4 | ||
| 229 | E | 83.2 | Confident | 80.8 | Confident | 127 Ų | 127 | 78.4 Ų | 78.4 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -36.4 | -176.6 | -64.5 | 172.5 | -169.6 | 0 | 0 | 112.4 | H247 | E229-H247 WeakPolarHBondContact OE2-CB 3.36Å; E229-H247 IonicContact OE2-CD2 2.72Å; E229-H247 PolarHBondContact OE2-CD2 3.36Å; E229-H247 IonicContact OE2-CG 3.46Å; E229-H247 IonicContact OE2-ND1 2.68Å |
| 230 | C | 82.4 | Confident | 81 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 32% | 0.324 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 0.8 | -178 | 71.6 | 0 | 0 | 0 | 0 | 115 | K232 H243 H247 | C230-K232 PolarHBondContact O-N 3.27Å; C230-K232 VanDerWaalsContact O-N 3.09Å; C230-H243 VanDerWaalsContact SG-CE1 3.56Å; C230-H243 PolarHBondContact SG-NE2 2.96Å; C230-H247 PolarHBondContact SG-NE2 3.4Å; C230-H247 VanDerWaalsContact SG-NE2 3.37Å |
| 231 | G | 79.8 | Confident | 81.5 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | trans | 71.9 | -4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | C227 G233 | C227-G231 WeakPolarHBondContact O-CA 3.37Å; C227-G231 PolarHBondContact O-N 3.05Å; G231-G233 PolarHBondContact O-N 3.36Å | ||
| 232 | K | 80.5 | Confident | 81.9 | Confident | 73 Ų | 73 | 72 Ų | 72 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | trans | -63 | 132 | -179.9 | -76.1 | -179.7 | 173.3 | 178.4 | 0 | 111.6 | K226 C227 C230 F234 E260 | K226-K232 CarbonylContact C-O 3.51Å; K226-K232 WeakPolarHBondContact CA-O 3.45Å; C227-K232 PolarHBondContact N-O 3.34Å; C230-K232 PolarHBondContact O-N 3.27Å; C230-K232 VanDerWaalsContact O-N 3.09Å; K232-F234 HydrophobicContact CB-CE2 3.9Å; K232-F234 HydrophobicContact CB-CZ 4.05Å; K232-F234 WeakPolarHBondContact O-CE2 3.22Å; K232-E260 IonicContact NZ-OE2 3.08Å; K232-E260 PolarHBondContact NZ-OE2 3.29Å | ||
| 233 | G | 81.4 | Confident | 82.5 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 145 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K223 F225 G231 | K223-G233 WeakPolarHBondContact CD-O 3.31Å; F225-G233 CarbonylContact O-C 3.33Å; F225-G233 WeakPolarHBondContact O-CA 3.38Å; G231-G233 PolarHBondContact O-N 3.36Å |
| 234 | F | 80.2 | Confident | 82.7 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151 | 179.2 | -57.8 | -89.8 | 0 | 0 | 0 | 110.5 | K223 F225 C227 K232 T239 L240 H243 | K223-F234 CarbonylContact C-O 3.57Å; F225-F234 HydrophobicContact CB-CB 4.23Å; F225-F234 WeakPolarHBondContact CB-O 3.47Å; F225-F234 PolarHBondContact N-O 3.27Å; F225-F234 VanDerWaalsContact N-O 3.13Å; F225-F234 PolarHBondContact O-N 3.03Å; C227-F234 HydrophobicContact CB-CE2 4.25Å; K232-F234 HydrophobicContact CB-CE2 3.9Å; K232-F234 HydrophobicContact CB-CZ 4.05Å; K232-F234 WeakPolarHBondContact O-CE2 3.22Å; F234-T239 HydrophobicContact CD1-CG2 3.66Å; F234-T239 HydrophobicContact CE1-CG2 4.09Å; F234-L240 HydrophobicContact CB-CB 4.34Å; F234-L240 HydrophobicContact CD2-CB 3.94Å; F234-L240 HydrophobicContact CD2-CD1 3.67Å; F234-L240 HydrophobicContact CD2-CG 4.39Å; F234-L240 HydrophobicContact CE2-CD1 3.77Å; F234-L240 HydrophobicContact CG-CB 4.22Å; F234-H243 HydrophobicContact CE1-CB 4.08Å; F234-H243 HydrophobicContact CE2-CB 4.19Å; F234-H243 AromaticContact CE2-CD2 3.63Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 HydrophobicContact CZ-CB 3.62Å; F234-H243 AromaticContact CZ-CD2 3.6Å; F234-H243 AromaticContact CZ-CE1 3.96Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.57Å; F234-H243 AromaticContact CZ-NE2 3.95Å |
| 235 | C | 79.5 | Confident | 83 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -88.8 | -13.8 | 175.8 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | Y217 F225 C269 | Y217-C235 VanDerWaalsContact CB-SG 3.57Å; Y217-C235 HydrophobicContact CD2-CB 4.25Å; Y217-C235 WeakPolarHBondContact CD2-O 3.36Å; Y217-C235 HydrophobicContact CG-CB 4.39Å; F225-C235 WeakPolarHBondContact CE2-O 3.26Å; C235-C269 HydrophobicContact CB-CB 4.43Å; C235-C269 WeakPolarHBondContact SG-CB 3.41Å |
| 236 | Q | 81.3 | Confident | 83 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | trans | -130.4 | 134.8 | -179.2 | -64.9 | 177.3 | 10.9 | 0 | 0 | 110.9 | D214 R238 T239 L240 | D214-Q236 HydrophobicContact CB-CG 4.27Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.24Å; Q236-T239 PolarHBondContact O-N 3.35Å; Q236-L240 PolarHBondContact O-N 3.45Å | ||
| 237 | S | 84.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | T239 L240 A241 | S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.29Å; S237-L240 PolarHBondContact O-N 3.44Å; S237-A241 PolarHBondContact O-N 2.82Å |
| 238 | R | 83.5 | Confident | 82.5 | Confident | 203 Ų | 203 | 66.1 Ų | 66.1 | 77% | 0.766 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 177.8 | -178.7 | 178.9 | -69.3 | 169.5 | -1.3 | 111.8 | Q236 L240 A241 V242 | Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.24Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.18Å; R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 3.37Å |
| 239 | T | 82.2 | Confident | 81.9 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.8 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | F234 Q236 S237 A241 V242 H243 T266 | F234-T239 HydrophobicContact CD1-CG2 3.66Å; F234-T239 HydrophobicContact CE1-CG2 4.09Å; Q236-T239 PolarHBondContact O-N 3.35Å; S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.29Å; T239-A241 VanDerWaalsContact C-N 3.34Å; T239-A241 PolarHBondContact O-N 2.91Å; T239-V242 PolarHBondContact O-N 2.89Å; T239-H243 VanDerWaalsContact O-CB 3.3Å; T239-H243 WeakPolarHBondContact O-CB 3.49Å; T239-H243 PolarHBondContact O-N 3.02Å; T239-T266 HydrophobicContact CG2-CG2 4.23Å |
| 240 | L | 84.9 | Confident | 81 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 172 | 174.2 | 64.2 | 0 | 0 | 0 | 111.9 | F225 C227 F234 Q236 S237 R238 H243 K244 | F225-L240 HydrophobicContact CB-CB 4.23Å; F225-L240 HydrophobicContact CB-CD2 3.87Å; C227-L240 HydrophobicContact CB-CD1 3.72Å; F234-L240 HydrophobicContact CB-CB 4.34Å; F234-L240 HydrophobicContact CD2-CB 3.94Å; F234-L240 HydrophobicContact CD2-CD1 3.67Å; F234-L240 HydrophobicContact CD2-CG 4.39Å; F234-L240 HydrophobicContact CE2-CD1 3.77Å; F234-L240 HydrophobicContact CG-CB 4.22Å; Q236-L240 PolarHBondContact O-N 3.45Å; S237-L240 PolarHBondContact O-N 3.44Å; R238-L240 VanDerWaalsContact C-N 3.35Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 2.64Å; L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.19Å; L240-K244 HydrophobicContact CG-CD 4.41Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.48Å |
| 241 | A | 86.6 | Confident | 80 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S237 R238 T239 K244 T245 | S237-A241 PolarHBondContact O-N 2.82Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.18Å; T239-A241 VanDerWaalsContact C-N 3.34Å; T239-A241 PolarHBondContact O-N 2.91Å; A241-K244 PolarHBondContact O-N 3.25Å; A241-T245 PolarHBondContact O-N 3.17Å |
| 242 | V | 84.7 | Confident | 79.3 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | R238 T239 K244 T245 L246 | R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 3.37Å; T239-V242 PolarHBondContact O-N 2.89Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.39Å; V242-T245 PolarHBondContact O-N 3Å; V242-T245 PolarHBondContact O-OG1 2.86Å; V242-L246 PolarHBondContact O-N 3.32Å |
| 243 | H | 83.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.7 | -43.5 | 176.1 | 169 | 80.3 | 0 | 0 | 0 | 112.8 | C227 C230 F234 T239 L240 T245 L246 H247 E260 | C227-H243 PolarHBondContact SG-NE2 3.18Å; C227-H243 VanDerWaalsContact SG-NE2 3.4Å; C230-H243 VanDerWaalsContact SG-CE1 3.56Å; C230-H243 PolarHBondContact SG-NE2 2.96Å; F234-H243 HydrophobicContact CE1-CB 4.08Å; F234-H243 HydrophobicContact CE2-CB 4.19Å; F234-H243 AromaticContact CE2-CD2 3.63Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 HydrophobicContact CZ-CB 3.62Å; F234-H243 AromaticContact CZ-CD2 3.6Å; F234-H243 AromaticContact CZ-CE1 3.96Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.57Å; F234-H243 AromaticContact CZ-NE2 3.95Å; T239-H243 VanDerWaalsContact O-CB 3.3Å; T239-H243 WeakPolarHBondContact O-CB 3.49Å; T239-H243 PolarHBondContact O-N 3.02Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 2.64Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 2.92Å; H243-L246 WeakPolarHBondContact O-CB 3.41Å; H243-L246 PolarHBondContact O-N 3.45Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.9Å; H243-H247 AromaticContact CE1-CD2 3.92Å; H243-H247 AromaticContact CE1-NE2 3.36Å; H243-H247 PolarHBondContact CE1-NE2 2.58Å; H243-H247 AromaticContact NE2-CD2 3.47Å; H243-H247 PolarHBondContact NE2-CD2 3.38Å; H243-H247 AromaticContact NE2-NE2 3.01Å; H243-H247 PolarHBondContact NE2-NE2 3.05Å; H243-H247 PolarHBondContact O-N 3.01Å; H243-E260 IonicContact CE1-OE1 3.68Å; H243-E260 PolarHBondContact CE1-OE1 3.18Å; H243-E260 IonicContact CG-OE1 3.67Å; H243-E260 IonicContact ND1-OE1 3.33Å; H243-E260 PolarHBondContact ND1-OE1 2.83Å |
| 244 | K | 84.8 | Confident | 77.6 | Confident | 86 Ų | 86 | 69 Ų | 69 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 175.3 | -74.1 | -177.8 | 177 | -165.6 | 0 | 112.7 | L240 A241 V242 L246 H247 M248 | L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.19Å; L240-K244 HydrophobicContact CG-CD 4.41Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.48Å; A241-K244 PolarHBondContact O-N 3.25Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.39Å; K244-L246 PolarHBondContact O-N 2.79Å; K244-H247 PolarHBondContact O-N 2.99Å; K244-M248 PolarHBondContact O-N 3.26Å |
| 245 | T | 85.1 | Confident | 76.8 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 44% | 0.436 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.2 | -27.7 | 175.1 | 63 | 0 | 0 | 0 | 0 | 112.7 | A241 V242 H243 M248 Q249 | A241-T245 PolarHBondContact O-N 3.17Å; V242-T245 PolarHBondContact O-N 3Å; V242-T245 PolarHBondContact O-OG1 2.86Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 2.92Å; T245-M248 PolarHBondContact O-N 3.43Å; T245-Q249 WeakPolarHBondContact O-CG 3.46Å; T245-Q249 PolarHBondContact O-N 3.11Å |
| 246 | L | 81.5 | Confident | 76.1 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.3 | -31.4 | 176 | -61.2 | 175.2 | 0 | 0 | 0 | 112.4 | V242 H243 K244 M248 Q249 T250 V256 A259 E260 | V242-L246 PolarHBondContact O-N 3.32Å; H243-L246 WeakPolarHBondContact O-CB 3.41Å; H243-L246 PolarHBondContact O-N 3.45Å; K244-L246 PolarHBondContact O-N 2.79Å; L246-M248 VanDerWaalsContact C-N 3.25Å; L246-M248 PolarHBondContact O-N 3.46Å; L246-Q249 PolarHBondContact O-N 2.96Å; L246-T250 PolarHBondContact O-N 3.09Å; L246-T250 PolarHBondContact O-OG1 3.28Å; L246-V256 HydrophobicContact CB-CG1 4.05Å; L246-V256 HydrophobicContact CB-CG2 4.39Å; L246-V256 HydrophobicContact CD1-CG1 4.5Å; L246-A259 HydrophobicContact CD1-CB 4.29Å; L246-A259 HydrophobicContact CD2-CB 4.43Å; L246-E260 HydrophobicContact CD1-CG 4.12Å |
| 247 | H | 79 | Confident | 75.3 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.125 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 171.3 | -79.7 | -65.7 | 0 | 0 | 0 | 112.5 | E229 C230 H243 K244 T250 | E229-H247 WeakPolarHBondContact OE2-CB 3.36Å; E229-H247 IonicContact OE2-CD2 2.72Å; E229-H247 PolarHBondContact OE2-CD2 3.36Å; E229-H247 IonicContact OE2-CG 3.46Å; E229-H247 IonicContact OE2-ND1 2.68Å; C230-H247 PolarHBondContact SG-NE2 3.4Å; C230-H247 VanDerWaalsContact SG-NE2 3.37Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.9Å; H243-H247 AromaticContact CE1-CD2 3.92Å; H243-H247 AromaticContact CE1-NE2 3.36Å; H243-H247 PolarHBondContact CE1-NE2 2.58Å; H243-H247 AromaticContact NE2-CD2 3.47Å; H243-H247 PolarHBondContact NE2-CD2 3.38Å; H243-H247 AromaticContact NE2-NE2 3.01Å; H243-H247 PolarHBondContact NE2-NE2 3.05Å; H243-H247 PolarHBondContact O-N 3.01Å; K244-H247 PolarHBondContact O-N 2.99Å; H247-T250 CarbonylContact C-O 3.51Å; H247-T250 CarbonylContact O-C 3.49Å; H247-T250 VanDerWaalsContact O-O 3.05Å |
| 248 | M | 78.3 | Confident | 74.1 | Confident | 162 Ų | 162 | 68.2 Ų | 68.2 | 80% | 0.798 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -73.9 | -30.6 | 175.7 | -55.1 | -121.8 | 98.8 | 0 | 0 | 112.2 | K244 T245 L246 | K244-M248 PolarHBondContact O-N 3.26Å; T245-M248 PolarHBondContact O-N 3.43Å; L246-M248 VanDerWaalsContact C-N 3.25Å; L246-M248 PolarHBondContact O-N 3.46Å |
| 249 | Q | 72.3 | Confident | 73 | Confident | 147 Ų | 147 | 59.9 Ų | 59.9 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -87.7 | -24.7 | -178.8 | -69.4 | 175.5 | -2.9 | 0 | 0 | 113.2 | T245 L246 | T245-Q249 WeakPolarHBondContact O-CG 3.46Å; T245-Q249 PolarHBondContact O-N 3.11Å; L246-Q249 PolarHBondContact O-N 2.96Å |
| 250 | T | 64.9 | Low | 71.9 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | trans | -140 | 113.9 | 178.5 | 58.7 | 0 | 0 | 0 | 0 | 108.7 | L246 H247 S252 A255 V256 | L246-T250 PolarHBondContact O-N 3.09Å; L246-T250 PolarHBondContact O-OG1 3.28Å; H247-T250 CarbonylContact C-O 3.51Å; H247-T250 CarbonylContact O-C 3.49Å; H247-T250 VanDerWaalsContact O-O 3.05Å; T250-S252 PolarHBondContact O-N 3.22Å; T250-A255 HydrophobicContact CG2-CB 4.31Å; T250-V256 WeakPolarHBondContact OG1-CG2 3.45Å | ||
| 251 | S | 61.9 | Low | 70.5 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 88% | 0.881 | 40% | 0.403 | S | S | * | . | trans | -74.6 | -5.8 | 179.8 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 252 | S | 63.8 | Low | 68.6 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | trans | -97.8 | 123.2 | -178.2 | 178.2 | 0 | 0 | 0 | 0 | 112 | T250 T254 A255 V256 | T250-S252 PolarHBondContact O-N 3.22Å; S252-T254 PolarHBondContact O-N 3.47Å; S252-T254 PolarHBondContact OG-OG1 2.75Å; S252-A255 PolarHBondContact O-N 3.32Å; S252-A255 VanDerWaalsContact O-N 3.09Å; S252-V256 PolarHBondContact O-N 2.85Å | ||
| 253 | P | 64.9 | Low | 67 | Low | 93 Ų | 93 | 77 Ų | 77 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58 | -31.2 | 177.8 | -23.1 | 31.9 | 0 | 0 | 0 | 114 | A257 | P253-A257 PolarHBondContact O-N 3.43Å |
| 254 | T | 62.6 | Low | 65.1 | Low | 111 Ų | 111 | 79.3 Ų | 79.3 | 68% | 0.681 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -74.1 | -33.6 | 177.9 | 36 | 0 | 0 | 0 | 0 | 112.4 | S252 A257 A258 | S252-T254 PolarHBondContact O-N 3.47Å; S252-T254 PolarHBondContact OG-OG1 2.75Å; T254-A257 PolarHBondContact O-N 2.9Å; T254-A258 PolarHBondContact O-N 3.22Å |
| 255 | A | 62.8 | Low | 62.8 | Low | 38 Ų | 38 | 80.2 Ų | 80.2 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T250 S252 A257 A258 A259 | T250-A255 HydrophobicContact CG2-CB 4.31Å; S252-A255 PolarHBondContact O-N 3.32Å; S252-A255 VanDerWaalsContact O-N 3.09Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 3.12Å; A255-A258 PolarHBondContact O-N 3.03Å; A255-A259 PolarHBondContact O-N 2.9Å |
| 256 | V | 65.6 | Low | 61.1 | Low | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | L246 T250 S252 A258 A259 E260 | L246-V256 HydrophobicContact CB-CG1 4.05Å; L246-V256 HydrophobicContact CB-CG2 4.39Å; L246-V256 HydrophobicContact CD1-CG1 4.5Å; T250-V256 WeakPolarHBondContact OG1-CG2 3.45Å; S252-V256 PolarHBondContact O-N 2.85Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.33Å; V256-A259 PolarHBondContact O-N 3.48Å; V256-E260 WeakPolarHBondContact O-CG 3.28Å; V256-E260 PolarHBondContact O-N 2.77Å; V256-E260 VanDerWaalsContact O-N 3.09Å |
| 257 | A | 63.4 | Low | 59.6 | Low | 33 Ų | 33 | 82.8 Ų | 82.8 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P253 T254 A255 | P253-A257 PolarHBondContact O-N 3.43Å; T254-A257 PolarHBondContact O-N 2.9Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 3.12Å |
| 258 | A | 59.3 | Low | 58.4 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | T254 A255 V256 E260 R261 | T254-A258 PolarHBondContact O-N 3.22Å; A255-A258 PolarHBondContact O-N 3.03Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.33Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.49Å; A258-R261 PolarHBondContact O-N 3.17Å |
| 259 | A | 60.4 | Low | 57.3 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 24% | 0.24 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L246 A255 V256 R261 C262 | L246-A259 HydrophobicContact CD1-CB 4.29Å; L246-A259 HydrophobicContact CD2-CB 4.43Å; A255-A259 PolarHBondContact O-N 2.9Å; V256-A259 PolarHBondContact O-N 3.48Å; A259-R261 PolarHBondContact O-N 3.14Å; A259-C262 PolarHBondContact O-N 2.97Å |
| 260 | E | 59.6 | Low | 56.2 | Low | 49 Ų | 49 | 76.6 Ų | 76.6 | 23% | 0.229 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.3 | -29.5 | 176 | -75.5 | 179.3 | 146.4 | 0 | 0 | 113.4 | K232 H243 L246 V256 A258 | K232-E260 IonicContact NZ-OE2 3.08Å; K232-E260 PolarHBondContact NZ-OE2 3.29Å; H243-E260 IonicContact CE1-OE1 3.68Å; H243-E260 PolarHBondContact CE1-OE1 3.18Å; H243-E260 IonicContact CG-OE1 3.67Å; H243-E260 IonicContact ND1-OE1 3.33Å; H243-E260 PolarHBondContact ND1-OE1 2.83Å; L246-E260 HydrophobicContact CD1-CG 4.12Å; V256-E260 WeakPolarHBondContact O-CG 3.28Å; V256-E260 PolarHBondContact O-N 2.77Å; V256-E260 VanDerWaalsContact O-N 3.09Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.49Å |
| 261 | R | 54.1 | Low | 55.4 | Low | 212 Ų | 212 | 76.5 Ų | 76.5 | 80% | 0.8 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.3 | -30 | 177.2 | -79.2 | -176.5 | 168.1 | 116.6 | -5 | 113.1 | A258 A259 | A258-R261 PolarHBondContact O-N 3.17Å; A259-R261 PolarHBondContact O-N 3.14Å |
| 262 | C | 47.6 | Very low | 54.4 | Low | 117 Ų | 117 | 76.8 Ų | 76.8 | 79% | 0.791 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.5 | -22.9 | -178.9 | -65 | 0 | 0 | 0 | 0 | 113.2 | A259 | A259-C262 PolarHBondContact O-N 2.97Å |
| 263 | F | 50.8 | Low | 53.1 | Low | 148 Ų | 148 | 82.6 Ų | 82.6 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1 | 175.5 | -81 | -87.3 | 0 | 0 | 0 | 113.4 | A265 | F263-A265 PolarHBondContact O-N 3.18Š|
| 264 | G | 43.6 | Very low | 52.5 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | trans | -80.6 | 74.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 265 | A | 38.1 | Very low | 51.9 | Low | 105 Ų | 105 | 80.6 Ų | 80.6 | 87% | 0.868 | 50% | 0.5 | S | S | * | . | trans | -112.3 | 29.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 110 | F263 | F263-A265 PolarHBondContact O-N 3.18Š| ||
| 266 | T | 47.8 | Very low | 51.3 | Low | 64 Ų | 64 | 82.9 Ų | 82.9 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -75.6 | 138.6 | 173.7 | 39.6 | 0 | 0 | 0 | 0 | 108.8 | T239 T268 | T239-T266 HydrophobicContact CG2-CG2 4.23Å; T266-T268 PolarHBondContact O-N 3.1Å |
| 267 | V | 51.3 | Low | 50.5 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | trans | -60.8 | 90.4 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | I218 | I218-V267 HydrophobicContact CD1-CG1 3.59Å; I218-V267 HydrophobicContact CG1-CG1 4.22Å | ||
| 268 | T | 52.5 | Low | 49.7 | Very low | 86 Ų | 86 | 91.1 Ų | 91.1 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | trans | -69.6 | 131.6 | 168.6 | 52.1 | 0 | 0 | 0 | 0 | 106.4 | T266 D270 | T266-T268 PolarHBondContact O-N 3.1Å; T268-D270 PolarHBondContact O-N 3.29Å; T268-D270 VanDerWaalsContact O-N 3.12Å | ||
| 269 | C | 55 | Low | 49 | Very low | 15 Ų | 15 | 93.4 Ų | 93.4 | 10% | 0.101 | 56% | 0.562 | C | S | . | * | trans | -76.9 | 14.8 | 178.7 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | K223 C235 G271 | K223-C269 WeakPolarHBondContact CE-SG 3.49Å; K223-C269 PolarHBondContact NZ-SG 3.43Å; C235-C269 HydrophobicContact CB-CB 4.43Å; C235-C269 WeakPolarHBondContact SG-CB 3.41Å; C269-G271 PolarHBondContact O-N 3.25Å; C269-G271 VanDerWaalsContact O-N 3.11Å | ||
| 270 | D | 50.1 | Low | 48.2 | Very low | 105 Ų | 105 | 98 Ų | 98 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -83.8 | 16 | -168.3 | -59.1 | -29 | 0 | 0 | 0 | 112.7 | K223 T268 T272 | K223-D270 IonicContact NZ-OD1 3.69Å; T268-D270 PolarHBondContact O-N 3.29Å; T268-D270 VanDerWaalsContact O-N 3.12Å; D270-T272 VanDerWaalsContact C-N 3.26Å; D270-T272 PolarHBondContact O-N 3.06Å |
| 271 | G | 48 | Very low | 47.4 | Very low | 42 Ų | 42 | 101.8 Ų | 101.8 | 43% | 0.433 | 61% | 0.612 | S | S | . | * | trans | 68.7 | 13.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | C269 V273 | C269-G271 PolarHBondContact O-N 3.25Å; C269-G271 VanDerWaalsContact O-N 3.11Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.96Å | ||
| 272 | T | 41.5 | Very low | 46.8 | Very low | 132 Ų | 132 | 92.6 Ų | 92.6 | 81% | 0.81 | 60% | 0.596 | S | S | * | * | trans | -76.3 | 89.4 | 167.6 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | D270 | D270-T272 VanDerWaalsContact C-N 3.26Å; D270-T272 PolarHBondContact O-N 3.06Å | ||
| 273 | V | 35.2 | Very low | 46.7 | Very low | 169 Ų | 169 | 90.4 Ų | 90.4 | 100% | 1.024 | 58% | 0.579 | S | S | * | * | trans | -72.2 | 0 | 162.9 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | G271 | G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.96Å |
Retrieved 273 of 273 residues in 407.2 ms
(Link to these results)