| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39 | Very low | 32 | Very low | 257 Ų | 257 | 158.7 Ų | 158.7 | 100% | 1.266 | 85% | 0.849 | S | S | * | * | 0 | 106.9 | 0 | -82 | 141 | 126.9 | 0 | 0 | 107.6 | |||||
| 2 | G | 32.9 | Very low | 32.5 | Very low | 81 Ų | 81 | 165.3 Ų | 165.3 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | -156.3 | 112.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | T | 31.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 158.2 Ų | 158.2 | 84% | 0.84 | 85% | 0.846 | S | S | * | * | trans | -87.9 | 158.2 | -165.5 | 37 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 4 | S | 30.5 | Very low | 32.8 | Very low | 102 Ų | 102 | 164.3 Ų | 164.3 | 71% | 0.713 | 85% | 0.851 | S | S | * | * | trans | 70.6 | 100.3 | 153.5 | -78.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 5 | C | 29.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 161.5 Ų | 161.5 | 85% | 0.851 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.4 | 151.5 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 6 | H | 33.9 | Very low | 34.2 | Very low | 168 Ų | 168 | 159.4 Ų | 159.4 | 78% | 0.778 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 117.1 | 164.4 | -93.8 | -85.7 | 0 | 0 | 0 | 109.6 | ||
| 7 | I | 32.1 | Very low | 34.7 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.7 | 171.1 | -123.6 | 155.7 | 0 | 0 | 0 | 108.6 | ||
| 8 | W | 25.6 | Very low | 35.3 | Very low | 239 Ų | 239 | 159.4 Ų | 159.4 | 91% | 0.905 | 84% | 0.837 | S | S | * | * | trans | -120.3 | 115.9 | 162.5 | -113.4 | 86 | 0 | 0 | 0 | 107.7 | ||||
| 9 | R | 31.3 | Very low | 36.2 | Very low | 221 Ų | 221 | 162.1 Ų | 162.1 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -82.4 | 139.8 | 170.4 | -109.2 | -150.3 | -165.8 | -168.3 | 8.1 | 109 | ||||
| 10 | P | 34.4 | Very low | 36.8 | Very low | 116 Ų | 116 | 156 Ų | 156 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -87.1 | 142.7 | 177.4 | 34.4 | -30.7 | 0 | 0 | 0 | 110.6 | ||||
| 11 | D | 31.2 | Very low | 37.8 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -111.6 | 149.9 | 159.6 | -143.4 | -18.4 | 0 | 0 | 0 | 111.2 | ||||
| 12 | R | 37.8 | Very low | 38.7 | Very low | 237 Ų | 237 | 147.4 Ų | 147.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 142.2 | -162.3 | -80.7 | 167.7 | -92 | -162.7 | -11.1 | 114 | ||||
| 13 | G | 31.2 | Very low | 40.1 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | trans | 177.3 | 99.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 14 | R | 39.1 | Very low | 41.5 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | trans | 90.1 | 85.1 | 151.4 | -118.2 | 166.2 | -77.1 | -129.1 | -0.5 | 118.5 | C16 | R14-C16 PolarHBondContact O-N 3.38Š| ||
| 15 | S | 43.3 | Very low | 42.9 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | 100.2 | 158.1 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 16 | C | 44.6 | Very low | 44.5 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.2 | 3.2 | 155.4 | -101.4 | 0 | 0 | 0 | 0 | 114.3 | R14 | R14-C16 PolarHBondContact O-N 3.38Š|
| 17 | K | 41.4 | Very low | 45.6 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -103 | -14.5 | 178.8 | -88.8 | -178.4 | 170.1 | -179.7 | 0 | 115.8 | I21 | K17-I21 HydrophobicContact CB-CD1 4.43Å; K17-I21 WeakPolarHBondContact O-CD1 3.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.46Å; K17-I21 PolarHBondContact O-N 3.16Å |
| 18 | H | 45.6 | Very low | 46.7 | Very low | 149 Ų | 149 | 141 Ų | 141 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.3 | -32.6 | -171.2 | -93.4 | -69.4 | 0 | 0 | 0 | 114.9 | F22 | H18-F22 PolarHBondContact O-N 2.85Å; H18-F22 VanDerWaalsContact O-N 3.11Å |
| 19 | Y | 53 | Low | 48.1 | Very low | 209 Ų | 209 | 135 Ų | 135 | 82% | 0.82 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.2 | -37.3 | 177.7 | -93 | -88.3 | 0 | 0 | 0 | 112.3 | V23 | Y19-V23 VanDerWaalsContact O-CG2 3.28Å; Y19-V23 WeakPolarHBondContact O-CG2 3.43Å; Y19-V23 PolarHBondContact O-N 3.35Å; Y19-V23 VanDerWaalsContact O-N 3.14Å |
| 20 | G | 47.7 | Very low | 49.2 | Very low | 41 Ų | 41 | 128 Ų | 128 | 42% | 0.423 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V23 I24 | G20-V23 PolarHBondContact O-N 3.04Å; G20-I24 WeakPolarHBondContact O-CB 3.11Å; G20-I24 WeakPolarHBondContact O-CD1 3.29Å; G20-I24 WeakPolarHBondContact O-CG1 3Å; G20-I24 PolarHBondContact O-N 3.01Å |
| 21 | I | 59 | Low | 50.1 | Low | 85 Ų | 85 | 128 Ų | 128 | 44% | 0.436 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70 | -38.3 | 179.6 | -66.4 | 166.2 | 0 | 0 | 0 | 111.2 | K17 I24 L25 | K17-I21 HydrophobicContact CB-CD1 4.43Å; K17-I21 WeakPolarHBondContact O-CD1 3.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.46Å; K17-I21 PolarHBondContact O-N 3.16Å; I21-I24 PolarHBondContact O-N 2.95Å; I21-L25 HydrophobicContact CG2-CD1 3.67Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 VanDerWaalsContact O-CB 3.3Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.46Å |
| 22 | F | 56.7 | Low | 50.9 | Low | 148 Ų | 148 | 127.9 Ų | 127.9 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.9 | -38.6 | 176.3 | -110.5 | -88.7 | 0 | 0 | 0 | 112.6 | H18 F26 | H18-F22 PolarHBondContact O-N 2.85Å; H18-F22 VanDerWaalsContact O-N 3.11Å; F22-F26 VanDerWaalsContact O-CB 3.22Å; F22-F26 WeakPolarHBondContact O-CB 3.32Å; F22-F26 PolarHBondContact O-N 2.94Å |
| 23 | V | 63.2 | Low | 51.3 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.5 | -39.5 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | Y19 G20 F26 M27 | Y19-V23 VanDerWaalsContact O-CG2 3.28Å; Y19-V23 WeakPolarHBondContact O-CG2 3.43Å; Y19-V23 PolarHBondContact O-N 3.35Å; Y19-V23 VanDerWaalsContact O-N 3.14Å; G20-V23 PolarHBondContact O-N 3.04Å; V23-F26 PolarHBondContact O-N 2.96Å; V23-M27 WeakPolarHBondContact O-CB 3.36Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.43Å; V23-M27 PolarHBondContact O-N 2.05Å |
| 24 | I | 61.6 | Low | 52.1 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 54% | 0.544 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.8 | -45.5 | 176.6 | -67.2 | 166.6 | 0 | 0 | 0 | 110.8 | G20 I21 F26 M27 D28 | G20-I24 WeakPolarHBondContact O-CB 3.11Å; G20-I24 WeakPolarHBondContact O-CD1 3.29Å; G20-I24 WeakPolarHBondContact O-CG1 3Å; G20-I24 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.43Å; I24-M27 PolarHBondContact O-N 3.41Å; I24-D28 WeakPolarHBondContact O-CB 3.05Å; I24-D28 PolarHBondContact O-N 3.14Å |
| 25 | L | 59.1 | Low | 52.3 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -34 | 177.2 | -71.6 | 172.6 | 0 | 0 | 0 | 112.6 | I21 L29 | I21-L25 HydrophobicContact CG2-CD1 3.67Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 VanDerWaalsContact O-CB 3.3Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.46Å; L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-L29 VanDerWaalsContact O-N 3.09Å |
| 26 | F | 61.9 | Low | 52.2 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.5 | -34.7 | 176.3 | -159.4 | -97.8 | 0 | 0 | 0 | 111.9 | F22 V23 I24 V30 | F22-F26 VanDerWaalsContact O-CB 3.22Å; F22-F26 WeakPolarHBondContact O-CB 3.32Å; F22-F26 PolarHBondContact O-N 2.94Å; V23-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.43Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.22Å |
| 27 | M | 58 | Low | 52.1 | Low | 118 Ų | 118 | 117 Ų | 117 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.4 | -37 | 174.2 | -72 | -67.4 | 161.6 | 0 | 0 | 112.7 | V23 I24 V30 L31 | V23-M27 WeakPolarHBondContact O-CB 3.36Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.43Å; V23-M27 PolarHBondContact O-N 2.05Å; I24-M27 PolarHBondContact O-N 3.41Å; M27-V30 PolarHBondContact O-N 3.43Å; M27-L31 WeakPolarHBondContact O-CB 3.02Å; M27-L31 PolarHBondContact O-N 3.42Å |
| 28 | D | 54.5 | Low | 52 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 172.8 | -98 | -49.6 | 0 | 0 | 0 | 112 | I24 V30 L31 Q32 | I24-D28 WeakPolarHBondContact O-CB 3.05Å; I24-D28 PolarHBondContact O-N 3.14Å; D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.08Å; D28-L31 PolarHBondContact O-N 3.2Å; D28-Q32 WeakPolarHBondContact O-CG 3.01Å; D28-Q32 PolarHBondContact O-N 2.93Å |
| 29 | L | 56 | Low | 51.9 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 59% | 0.586 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.1 | -34.7 | 174.8 | -159.8 | 79.6 | 0 | 0 | 0 | 111.8 | L25 | L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-L29 VanDerWaalsContact O-N 3.09Å |
| 30 | V | 54.9 | Low | 50.9 | Low | 74 Ų | 74 | 110.3 Ų | 110.3 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.2 | -37.9 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | F26 M27 D28 C33 | F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.22Å; M27-V30 PolarHBondContact O-N 3.43Å; D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.08Å; V30-C33 PolarHBondContact O-N 3.23Å |
| 31 | L | 53.1 | Low | 50.6 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73 | -33.5 | -178 | -148.5 | 71.2 | 0 | 0 | 0 | 113.1 | M27 D28 C33 V34 | M27-L31 WeakPolarHBondContact O-CB 3.02Å; M27-L31 PolarHBondContact O-N 3.42Å; D28-L31 PolarHBondContact O-N 3.2Å; L31-C33 VanDerWaalsContact C-N 3.29Å; L31-C33 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 3.4Å |
| 32 | Q | 47 | Very low | 49.4 | Very low | 142 Ų | 142 | 117.5 Ų | 117.5 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.7 | -27 | 175.1 | -73.8 | 178.4 | -10.4 | 0 | 0 | 113.2 | D28 | D28-Q32 WeakPolarHBondContact O-CG 3.01Å; D28-Q32 PolarHBondContact O-N 2.93Å |
| 33 | C | 46.4 | Very low | 48.1 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 53% | 0.527 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.3 | -33.3 | 174.9 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | V30 L31 G36 Y37 | V30-C33 PolarHBondContact O-N 3.23Å; L31-C33 VanDerWaalsContact C-N 3.29Å; L31-C33 PolarHBondContact O-N 3.35Å; C33-G36 PolarHBondContact O-N 2.03Å; C33-Y37 WeakPolarHBondContact O-CD2 3.41Å |
| 34 | V | 48.7 | Very low | 46.8 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.1 | -36 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 112 | L31 G36 | L31-V34 PolarHBondContact O-N 3.4Å; V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å |
| 35 | N | 43.1 | Very low | 45.2 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -13.4 | 177.5 | -89.1 | -6.1 | 0 | 0 | 0 | 114.3 | ||
| 36 | G | 40.4 | Very low | 44 | Very low | 57 Ų | 57 | 128.4 Ų | 128.4 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -14.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | C33 V34 | C33-G36 PolarHBondContact O-N 2.03Å; V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å |
| 37 | Y | 42.9 | Very low | 42.7 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 79% | 0.788 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -98.4 | -1.3 | -173 | -74.9 | -76.1 | 0 | 0 | 0 | 115.1 | C33 S39 | C33-Y37 WeakPolarHBondContact O-CD2 3.41Å; Y37-S39 PolarHBondContact O-N 2.91Å |
| 38 | L | 39.6 | Very low | 41.9 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -78.6 | 7.6 | 179.2 | -131.4 | 91.3 | 0 | 0 | 0 | 114.6 | ||
| 39 | S | 43.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -133.6 | 76 | -172.9 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | Y37 | Y37-S39 PolarHBondContact O-N 2.91Š| ||
| 40 | S | 32.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -168.7 | 138.9 | 143.4 | -151.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 41 | P | 39.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -99.7 | 153.5 | -171 | 37.8 | -32.4 | 0 | 0 | 0 | 115.3 | ||||
| 42 | H | 34.8 | Very low | 37.4 | Very low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 60.8 | 147.4 | 153.7 | -84.1 | -70.4 | 0 | 0 | 0 | 118.9 | ||||
| 43 | I | 29.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -158.2 | 138.8 | 36.8 | -131.2 | 145.9 | 0 | 0 | 0 | 110 | ||||
| 44 | D | 35.7 | Very low | 36 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -83.3 | 137 | 170.7 | -83.5 | -70 | 0 | 0 | 0 | 111.2 | ||||
| 45 | Q | 27.7 | Very low | 35.2 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -167.9 | 113.4 | 139.8 | -119 | 155.5 | -27.4 | 0 | 0 | 112.2 | ||||
| 46 | E | 33.7 | Very low | 34.6 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -111 | 150 | 166.2 | -153.7 | -172.3 | 120.9 | 0 | 0 | 108.8 | ||||
| 47 | P | 35.3 | Very low | 33.9 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -127.5 | 161.3 | 147.8 | 36.5 | -24.6 | 0 | 0 | 0 | 113.5 | ||||
| 48 | P | 40.7 | Very low | 33.5 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -104.9 | 163 | -148 | 37 | -27.6 | 0 | 0 | 0 | 112.6 | ||||
| 49 | Y | 29.3 | Very low | 33.3 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | -176.9 | 124.2 | 128.1 | -117.3 | -114.6 | 0 | 0 | 0 | 114.7 | |||||
| 50 | T | 28.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | 41.4 | 118.3 | 138 | 62.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 51 | R | 37.3 | Very low | 32.8 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -11.1 | 136.1 | 131.5 | -122.5 | 179.9 | 171.9 | 156.1 | -2 | 116.7 | ||||
| 52 | D | 29.8 | Very low | 33.3 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -158.1 | 139 | 118.9 | -96.6 | -33.4 | 0 | 0 | 0 | 112.9 | |||||
| 53 | A | 33 | Very low | 33.1 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -102.3 | 133.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 54 | Q | 31.1 | Very low | 33.8 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -139.6 | 121.6 | 158.3 | -98.7 | -179 | -33.4 | 0 | 0 | 111.3 | ||||
| 55 | H | 31.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -67.2 | 150.7 | 172.2 | -82.1 | 45.4 | 0 | 0 | 0 | 111.8 | ||||
| 56 | G | 29.7 | Very low | 34.2 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -161.3 | 128.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 57 | T | 26.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 153.6 | -156.3 | -49.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 58 | I | 35 | Very low | 34.6 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -53.7 | 139.3 | 169.3 | -62.9 | 154.8 | 0 | 0 | 0 | 113.1 | ||||
| 59 | I | 35.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -145 | 125.6 | 141.9 | -60.7 | -171.5 | 0 | 0 | 0 | 110.6 | ||||
| 60 | T | 30.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 140.5 | 167.8 | 5.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 61 | S | 34.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 159.6 | -177.9 | 85.3 | -140.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 62 | P | 50.6 | Low | 36 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -103.2 | 177 | -129.8 | 29 | -6 | 0 | 0 | 0 | 113.4 | |||||
| 63 | V | 30.7 | Very low | 36.7 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -178.2 | 131.4 | 142.4 | 150.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 64 | I | 43.2 | Very low | 37.8 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -13.4 | 145.3 | 159.4 | -46.6 | 172 | 0 | 0 | 0 | 116.6 | ||||
| 65 | P | 37.8 | Very low | 38.9 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -122.3 | 131.8 | 143.1 | 17.2 | 2.4 | 0 | 0 | 0 | 113.5 | ||||
| 66 | A | 34.5 | Very low | 40 | Very low | 87 Ų | 87 | 121 Ų | 121 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 141.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 67 | V | 34.8 | Very low | 41.6 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | 26.4 | 117.8 | 139.4 | -160.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 68 | A | 42.8 | Very low | 43.5 | Very low | 97 Ų | 97 | 116 Ų | 116 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | 35.8 | 117.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 69 | S | 34.4 | Very low | 45 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -137.9 | 118.7 | 152.8 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 70 | V | 40.3 | Very low | 46.9 | Very low | 133 Ų | 133 | 109 Ų | 109 | 81% | 0.806 | 68% | 0.682 | S | S | * | * | trans | -16.6 | 132.9 | 155.6 | 174.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 71 | S | 44.6 | Very low | 49.3 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 123 | 172.3 | 43.4 | 0 | 0 | 0 | 0 | 112 | ||
| 72 | P | 44.1 | Very low | 51.7 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 136.4 | 170.8 | 22.7 | -12.2 | 0 | 0 | 0 | 110.4 | ||
| 73 | T | 44.8 | Very low | 53.3 | Low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 144.2 | 162 | 32.9 | 0 | 0 | 0 | 0 | 111.1 | E75 D76 | T73-E75 PolarHBondContact O-N 2.79Å; T73-D76 PolarHBondContact O-N 3.07Å |
| 74 | D | 55.8 | Low | 55.6 | Low | 156 Ų | 156 | 101.9 Ų | 101.9 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -2 | -175.3 | -101 | -45.6 | 0 | 0 | 0 | 116.7 | ||
| 75 | E | 54.3 | Low | 57.3 | Low | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -25.6 | -179.5 | -78.3 | -160.7 | 140.5 | 0 | 0 | 115 | T73 Y78 K118 | T73-E75 PolarHBondContact O-N 2.79Å; E75-Y78 VanDerWaalsContact O-CE1 3.26Å; E75-Y78 WeakPolarHBondContact O-CE1 3.46Å; E75-K118 IonicContact OE1-NZ 3.9Å |
| 76 | D | 56.5 | Low | 59.6 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 61% | 0.61 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -93 | -13.5 | -172 | -66.6 | -45.1 | 0 | 0 | 0 | 114.6 | T73 | T73-D76 PolarHBondContact O-N 3.07Š|
| 77 | S | 61.7 | Low | 62.2 | Low | 64 Ų | 64 | 92.7 Ų | 92.7 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -29.2 | -169.9 | 179.6 | 0 | 0 | 0 | 0 | 114.6 | S80 | S77-S80 PolarHBondContact O-OG 3.42Å; S77-S80 VanDerWaalsContact O-OG 3.12Å |
| 78 | Y | 67.9 | Low | 64.8 | Low | 47 Ų | 47 | 86.2 Ų | 86.2 | 18% | 0.184 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -29.5 | -174.8 | 63.3 | -97.9 | 0 | 0 | 0 | 113.5 | E75 S80 K81 C82 K117 | E75-Y78 VanDerWaalsContact O-CE1 3.26Å; E75-Y78 WeakPolarHBondContact O-CE1 3.46Å; Y78-S80 PolarHBondContact O-N 3.28Å; Y78-K81 PolarHBondContact O-N 2.78Å; Y78-C82 PolarHBondContact O-N 2.86Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-K117 HydrophobicContact CD2-CD 4.19Å; Y78-K117 HydrophobicContact CE2-CB 4.08Å; Y78-K117 HydrophobicContact CE2-CD 4.24Å |
| 79 | T | 66.6 | Low | 66.9 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -62.6 | -32.1 | -177.4 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | K81 | T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 3.12Å |
| 80 | S | 73.3 | Confident | 69.5 | Low | 100 Ų | 100 | 87.7 Ų | 87.7 | 70% | 0.699 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -71.3 | -21.5 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | S77 Y78 | S77-S80 PolarHBondContact O-OG 3.42Å; S77-S80 VanDerWaalsContact O-OG 3.12Å; Y78-S80 PolarHBondContact O-N 3.28Å |
| 81 | K | 82.3 | Confident | 72 | Confident | 146 Ų | 146 | 81.5 Ų | 81.5 | 64% | 0.635 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -96.6 | -10.2 | -177.7 | -63.8 | -180 | -176.6 | 176.6 | 0 | 113.2 | Y78 T79 | Y78-K81 PolarHBondContact O-N 2.78Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 3.12Å |
| 82 | C | 85.4 | Confident | 74.3 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -95.4 | 121.2 | -175.2 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | Y78 S84 C95 V120 | Y78-C82 PolarHBondContact O-N 2.86Å; Y78-C82 PolarHBondContact O-SG 2.87Å; C82-S84 PolarHBondContact O-N 2.94Å; C82-C95 WeakPolarHBondContact CA-SG 3.36Å; C82-C95 HydrophobicContact CB-CB 3.93Å; C82-C95 WeakPolarHBondContact CB-SG 3.46Å; C82-C95 VanDerWaalsContact SG-CA 3.6Å; C82-C95 WeakPolarHBondContact SG-CB 3.19Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 2.73Å; C82-V120 HydrophobicContact CB-CG1 4.16Å; C82-V120 HydrophobicContact CB-CG2 3.7Å |
| 83 | P | 83.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 133 | 174.3 | 27.2 | -32.4 | 0 | 0 | 0 | 109.9 | ||
| 84 | S | 79.4 | Confident | 78.7 | Confident | 90 Ų | 90 | 70 Ų | 70 | 63% | 0.629 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -96.6 | 141.7 | 176.2 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | C82 G86 | C82-S84 PolarHBondContact O-N 2.94Å; S84-G86 VanDerWaalsContact C-N 3.33Å; S84-G86 PolarHBondContact O-N 3.41Å |
| 85 | G | 78.7 | Confident | 80.4 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 54% | 0.536 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 79.7 | 6.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H121 | G85-H121 PolarHBondContact N-O 3.09Š|
| 86 | G | 85.3 | Confident | 82.2 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -81.2 | 171.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S84 C122 V123 | S84-G86 VanDerWaalsContact C-N 3.33Å; S84-G86 PolarHBondContact O-N 3.41Å; G86-C122 WeakPolarHBondContact O-CA 3.41Å; G86-V123 WeakPolarHBondContact O-CG2 3.48Å; G86-V123 PolarHBondContact O-N 3.28Å |
| 87 | Q | 89.7 | Confident | 83.9 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 134.1 | 173.8 | -72.2 | -178.3 | 26.4 | 0 | 0 | 111.4 | D89 R90 L91 V123 | Q87-D89 VanDerWaalsContact C-N 3.26Å; Q87-D89 PolarHBondContact O-N 2.03Å; Q87-R90 PolarHBondContact O-N 2.84Å; Q87-R90 VanDerWaalsContact O-N 3.08Å; Q87-L91 VanDerWaalsContact O-CD1 3.29Å; Q87-L91 WeakPolarHBondContact O-CD1 3.26Å; Q87-V123 WeakPolarHBondContact CA-O 3.33Å |
| 88 | C | 88.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -55.7 | -36.9 | -178.4 | -63.9 | 0 | 0 | 0 | 0 | 114.2 | R90 L91 C122 V123 F133 | C88-R90 PolarHBondContact O-N 2.89Å; C88-L91 VanDerWaalsContact CA-CD1 3.42Å; C88-L91 WeakPolarHBondContact O-CD1 3.43Å; C88-L91 PolarHBondContact O-N 2.79Å; C88-C122 VanDerWaalsContact CA-SG 3.58Å; C88-C122 HydrophobicContact CB-CB 3.97Å; C88-C122 WeakPolarHBondContact CB-SG 3.1Å; C88-C122 WeakPolarHBondContact SG-CB 3.24Å; C88-C122 CovalentContact SG-SG 2.05Å; C88-C122 PolarHBondContact SG-SG 2.61Å; C88-V123 PolarHBondContact N-O 2.92Å; C88-F133 HydrophobicContact CB-CB 4.18Å; C88-F133 HydrophobicContact CB-CD1 3.66Å; C88-F133 HydrophobicContact CB-CD2 3.9Å; C88-F133 HydrophobicContact CB-CE1 3.94Å; C88-F133 HydrophobicContact CB-CE2 4.16Å; C88-F133 HydrophobicContact CB-CG 3.65Å; C88-F133 HydrophobicContact CB-CZ 4.18Å; C88-F133 WeakPolarHBondContact O-CE2 3.43Å; C88-F133 WeakPolarHBondContact O-CZ 3.46Å |
| 89 | D | 88.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -70.1 | -13.9 | -178.4 | -60.2 | -15.1 | 0 | 0 | 0 | 114 | Q87 K125 | Q87-D89 VanDerWaalsContact C-N 3.26Å; Q87-D89 PolarHBondContact O-N 2.03Å; D89-K125 WeakPolarHBondContact OD2-CE 3.26Å; D89-K125 IonicContact OD2-NZ 3.22Å; D89-K125 PolarHBondContact OD2-NZ 3.02Å |
| 90 | R | 89.5 | Confident | 87.9 | Confident | 194 Ų | 194 | 58.3 Ų | 58.3 | 73% | 0.732 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -108.2 | 7.9 | -178.5 | -67.9 | -173.9 | 176.1 | 149.1 | -0.6 | 113.2 | Q87 C88 | Q87-R90 PolarHBondContact O-N 2.84Å; Q87-R90 VanDerWaalsContact O-N 3.08Å; C88-R90 PolarHBondContact O-N 2.89Å |
| 91 | L | 91.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -68.8 | 142.2 | 178.1 | -91.2 | 91 | 0 | 0 | 0 | 111.1 | Q87 C88 C95 I96 V120 C122 H179 | Q87-L91 VanDerWaalsContact O-CD1 3.29Å; Q87-L91 WeakPolarHBondContact O-CD1 3.26Å; C88-L91 VanDerWaalsContact CA-CD1 3.42Å; C88-L91 WeakPolarHBondContact O-CD1 3.43Å; C88-L91 PolarHBondContact O-N 2.79Å; L91-C95 HydrophobicContact CD2-CB 3.92Å; L91-I96 HydrophobicContact CB-CG2 3.61Å; L91-I96 HydrophobicContact CD2-CG2 3.93Å; L91-I96 HydrophobicContact CG-CG2 4.36Å; L91-V120 HydrophobicContact CD2-CG1 3.44Å; L91-V120 VanDerWaalsContact CD2-CG1 3.44Å; L91-C122 HydrophobicContact CD1-CB 3.38Å; L91-C122 HydrophobicContact CD2-CB 4.36Å; L91-H179 PolarHBondContact O-CE1 2.9Å; L91-H179 VanDerWaalsContact O-CE1 3.28Å; L91-H179 PolarHBondContact O-NE2 2.91Å | ||
| 92 | P | 92.6 | Very high | 89.2 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | trans | -55.5 | 146.7 | 170.9 | -22.9 | 32.5 | 0 | 0 | 0 | 111.9 | S94 C95 D176 | P92-S94 PolarHBondContact O-N 2.89Å; P92-S94 VanDerWaalsContact O-N 3.09Å; P92-C95 WeakPolarHBondContact O-CB 3.06Å; P92-C95 PolarHBondContact O-N 3.17Å; P92-D176 WeakPolarHBondContact CA-O 3.02Å; P92-D176 HydrophobicContact CB-CB 4.28Å | ||
| 93 | A | 91.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C95 D176 | A93-C95 VanDerWaalsContact C-N 3.31Å; A93-D176 PolarHBondContact N-O 2.74Å |
| 94 | S | 90.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 61 Ų | 61 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.4 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | P92 K117 | P92-S94 PolarHBondContact O-N 2.89Å; P92-S94 VanDerWaalsContact O-N 3.09Å; S94-K117 WeakPolarHBondContact O-CD 3.47Å; S94-K117 WeakPolarHBondContact O-CE 3.48Å; S94-K117 PolarHBondContact O-NZ 3.09Å |
| 95 | C | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -7.5 | -175.1 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | C82 L91 P92 A93 K117 | C82-C95 WeakPolarHBondContact CA-SG 3.36Å; C82-C95 HydrophobicContact CB-CB 3.93Å; C82-C95 WeakPolarHBondContact CB-SG 3.46Å; C82-C95 VanDerWaalsContact SG-CA 3.6Å; C82-C95 WeakPolarHBondContact SG-CB 3.19Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 2.73Å; L91-C95 HydrophobicContact CD2-CB 3.92Å; P92-C95 WeakPolarHBondContact O-CB 3.06Å; P92-C95 PolarHBondContact O-N 3.17Å; A93-C95 VanDerWaalsContact C-N 3.31Å; C95-K117 PolarHBondContact O-N 2.85Å |
| 96 | I | 92.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155 | -175.4 | 66.2 | 174.3 | 0 | 0 | 0 | 110.6 | L91 K115 F133 L135 | L91-I96 HydrophobicContact CB-CG2 3.61Å; L91-I96 HydrophobicContact CD2-CG2 3.93Å; L91-I96 HydrophobicContact CG-CG2 4.36Å; I96-K115 CarbonylContact C-O 3.58Å; I96-K115 WeakPolarHBondContact CA-O 3.32Å; I96-F133 HydrophobicContact CB-CZ 4.39Å; I96-F133 HydrophobicContact CD1-CZ 4.24Å; I96-F133 HydrophobicContact CG2-CE1 4.35Å; I96-F133 HydrophobicContact CG2-CZ 3.91Å; I96-L135 HydrophobicContact CD1-CD2 3.77Å |
| 97 | Q | 93.1 | Very high | 92.1 | Very high | 113 Ų | 113 | 66 Ų | 66 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.5 | 173.1 | -171.6 | 171.3 | 39 | 0 | 0 | 108.7 | C114 K115 | Q97-C114 WeakPolarHBondContact O-CA 3.49Å; Q97-K115 HydrophobicContact CB-CG 4.17Å; Q97-K115 PolarHBondContact N-O 2.72Å; Q97-K115 WeakPolarHBondContact O-CG 3.28Å; Q97-K115 PolarHBondContact O-N 3.25Å |
| 98 | C | 93.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 147 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | Y100 T113 C114 | C98-Y100 HydrophobicContact CB-CD1 4.15Å; C98-Y100 HydrophobicContact CB-CD2 4.39Å; C98-Y100 HydrophobicContact CB-CE1 3.66Å; C98-Y100 HydrophobicContact CB-CE2 3.96Å; C98-Y100 HydrophobicContact CB-CG 4.48Å; C98-Y100 PolarHBondContact O-N 3Å; C98-T113 WeakPolarHBondContact CA-O 3.42Å; C98-C114 HydrophobicContact CB-CB 4.03Å; C98-C114 WeakPolarHBondContact CB-SG 3.11Å; C98-C114 WeakPolarHBondContact SG-CB 3.46Å; C98-C114 CovalentContact SG-SG 2.03Å; C98-C114 PolarHBondContact SG-SG 3.13Å |
| 99 | N | 94.7 | Very high | 92.8 | Very high | 110 Ų | 110 | 72.9 Ų | 72.9 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | trans | -87.3 | 88.1 | 169.6 | -173.1 | 7.1 | 0 | 0 | 0 | 109.7 | Q101 T113 | N99-Q101 PolarHBondContact O-N 3.45Å; N99-T113 PolarHBondContact N-O 3.37Å | ||
| 100 | Y | 91.8 | Very high | 93.1 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | trans | -77.1 | 118.6 | 179.5 | -63.5 | -58.2 | 0 | 0 | 0 | 111.3 | C98 F112 I137 | C98-Y100 HydrophobicContact CB-CD1 4.15Å; C98-Y100 HydrophobicContact CB-CD2 4.39Å; C98-Y100 HydrophobicContact CB-CE1 3.66Å; C98-Y100 HydrophobicContact CB-CE2 3.96Å; C98-Y100 HydrophobicContact CB-CG 4.48Å; C98-Y100 PolarHBondContact O-N 3Å; Y100-F112 HydrophobicContact CD1-CB 4.35Å; Y100-F112 HydrophobicContact CD1-CD1 4.41Å; Y100-F112 AromaticContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CE2 4.22Å; Y100-F112 AromaticContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CE1-CD2 4.19Å; Y100-I137 HydrophobicContact CD1-CD1 4.12Å; Y100-I137 HydrophobicContact CE1-CD1 3.6Å | ||
| 101 | Q | 92 | Very high | 93.4 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | trans | -94 | 140.1 | 169.1 | -58 | -177.6 | 5.8 | 0 | 0 | 109.7 | N99 N103 F112 L181 | N99-Q101 PolarHBondContact O-N 3.45Å; Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 WeakPolarHBondContact CB-OD1 3.41Å; Q101-N103 PolarHBondContact OE1-ND2 3.32Å; Q101-N103 PolarHBondContact OE1-OD1 3.5Å; Q101-F112 HydrophobicContact CB-CD1 4.49Å; Q101-F112 HydrophobicContact CB-CE1 4.05Å; Q101-F112 VanDerWaalsContact N-CE1 3.29Å; Q101-F112 VanDerWaalsContact O-CE1 3.28Å; Q101-F112 WeakPolarHBondContact O-CE1 3.32Å; Q101-L181 WeakPolarHBondContact O-CD2 3.23Å | ||
| 102 | H | 91.6 | Very high | 93.5 | Very high | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.597 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -92.6 | 12.6 | -178.4 | -57.3 | 96 | 0 | 0 | 0 | 113.1 | C104 F141 | H102-C104 VanDerWaalsContact C-N 3.32Å; H102-C104 PolarHBondContact O-N 2.8Å; H102-F141 AromaticContact CD2-CE1 3.61Å; H102-F141 AromaticContact CD2-CZ 3.75Å; H102-F141 AromaticContact NE2-CE1 3.98Å |
| 103 | N | 93.6 | Very high | 93.7 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | trans | -93.3 | 24 | -176.3 | 61.8 | -7.5 | 0 | 0 | 0 | 113.2 | Q101 | Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 WeakPolarHBondContact CB-OD1 3.41Å; Q101-N103 PolarHBondContact OE1-ND2 3.32Å; Q101-N103 PolarHBondContact OE1-OD1 3.5Å | ||
| 104 | C | 93.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -100.8 | 155.1 | 179.2 | 56.2 | 0 | 0 | 0 | 0 | 112 | H102 A110 C139 | H102-C104 VanDerWaalsContact C-N 3.32Å; H102-C104 PolarHBondContact O-N 2.8Å; C104-A110 HydrophobicContact CB-CB 3.73Å; C104-C139 HydrophobicContact CB-CB 3.66Å; C104-C139 WeakPolarHBondContact CB-SG 3.45Å; C104-C139 PolarHBondContact O-SG 2.04Å; C104-C139 VanDerWaalsContact O-SG 3.34Å; C104-C139 WeakPolarHBondContact SG-CB 3.45Å; C104-C139 CovalentContact SG-SG 2.03Å; C104-C139 PolarHBondContact SG-SG 2.84Å |
| 105 | T | 95.5 | Very high | 94 | Very high | 104 Ų | 104 | 71 Ų | 71 | 64% | 0.638 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -79 | 127.1 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | G107 K108 C139 | T105-G107 PolarHBondContact O-N 3.48Å; T105-K108 HydrophobicContact CG2-CG 4.11Å; T105-K108 WeakPolarHBondContact O-CB 3.38Å; T105-K108 PolarHBondContact O-N 2.03Å; T105-K108 VanDerWaalsContact O-N 3.11Å; T105-C139 VanDerWaalsContact O-CB 3.26Å; T105-C139 WeakPolarHBondContact O-CB 3.34Å |
| 106 | Y | 95.4 | Very high | 94 | Very high | 135 Ų | 135 | 72.3 Ų | 72.3 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 131.7 | 179.3 | 179.2 | -98.4 | 0 | 0 | 0 | 112.3 | K108 C139 Q140 Q144 | Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 2.99Å; Y106-C139 CarbonylContact C-O 3.58Å; Y106-C139 WeakPolarHBondContact CA-O 3.34Å; Y106-Q140 HydrophobicContact CD2-CB 4.35Å; Y106-Q140 HydrophobicContact CE2-CB 3.89Å; Y106-Q144 HydrophobicContact CE2-CB 4.47Å; Y106-Q144 VanDerWaalsContact CE2-NE2 3.3Å |
| 107 | G | 94.6 | Very high | 94 | Very high | 41 Ų | 41 | 75.4 Ų | 75.4 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | T105 C139 | T105-G107 PolarHBondContact O-N 3.48Å; G107-C139 PolarHBondContact N-O 2.91Å |
| 108 | K | 95.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 77.5 Ų | 77.5 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -98.3 | 150.1 | 174.9 | -61.9 | -60.1 | -175.2 | -178.5 | 0 | 111.4 | T105 Y106 A110 C139 | T105-K108 HydrophobicContact CG2-CG 4.11Å; T105-K108 WeakPolarHBondContact O-CB 3.38Å; T105-K108 PolarHBondContact O-N 2.03Å; T105-K108 VanDerWaalsContact O-N 3.11Å; Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 2.99Å; K108-A110 PolarHBondContact O-N 2.97Å; K108-C139 WeakPolarHBondContact O-CB 3.02Å; K108-C139 PolarHBondContact O-N 2.83Å |
| 109 | P | 96.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 79 Ų | 79 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134 | 173.9 | 28.2 | -33.9 | 0 | 0 | 0 | 110.2 | I137 | P109-I137 CarbonylContact C-O 3.55Å; P109-I137 WeakPolarHBondContact CA-O 3.04Å |
| 110 | A | 95.4 | Very high | 93 | Very high | 16 Ų | 16 | 74.1 Ų | 74.1 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | C104 K108 F112 S136 I137 C139 | C104-A110 HydrophobicContact CB-CB 3.73Å; K108-A110 PolarHBondContact O-N 2.97Å; A110-F112 HydrophobicContact CB-CE2 3.79Å; A110-F112 HydrophobicContact CB-CZ 3.74Å; A110-S136 WeakPolarHBondContact O-CA 3.2Å; A110-I137 PolarHBondContact N-O 2.04Å; A110-I137 PolarHBondContact O-N 2.81Å; A110-C139 HydrophobicContact CB-CB 4.45Å |
| 111 | S | 95.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 76.1 Ų | 76.1 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.9 | -176.2 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | L135 | S111-L135 WeakPolarHBondContact CA-O 3.28Å |
| 112 | F | 94.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 71.6 Ų | 71.6 | 4% | 0.039 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.8 | -179.9 | -57.6 | -73.3 | 0 | 0 | 0 | 111.3 | Y100 Q101 A110 T134 L135 I137 L181 | Y100-F112 HydrophobicContact CD1-CB 4.35Å; Y100-F112 HydrophobicContact CD1-CD1 4.41Å; Y100-F112 AromaticContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CE2 4.22Å; Y100-F112 AromaticContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CE1-CD2 4.19Å; Q101-F112 HydrophobicContact CB-CD1 4.49Å; Q101-F112 HydrophobicContact CB-CE1 4.05Å; Q101-F112 VanDerWaalsContact N-CE1 3.29Å; Q101-F112 VanDerWaalsContact O-CE1 3.28Å; Q101-F112 WeakPolarHBondContact O-CE1 3.32Å; A110-F112 HydrophobicContact CB-CE2 3.79Å; A110-F112 HydrophobicContact CB-CZ 3.74Å; F112-T134 WeakPolarHBondContact O-CA 3.28Å; F112-L135 PolarHBondContact N-O 2.83Å; F112-L135 PolarHBondContact O-N 3.48Å; F112-I137 HydrophobicContact CD2-CD1 3.81Å; F112-I137 HydrophobicContact CD2-CG1 3.68Å; F112-I137 HydrophobicContact CE2-CD1 3.7Å; F112-I137 HydrophobicContact CE2-CG1 3.52Å; F112-L181 HydrophobicContact CZ-CD2 4.29Å |
| 113 | T | 95.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.8 | 175.9 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | C98 N99 N132 | C98-T113 WeakPolarHBondContact CA-O 3.42Å; N99-T113 PolarHBondContact N-O 3.37Å; T113-N132 HydrophobicContact CG2-CB 4.42Å |
| 114 | C | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.4 | -177.2 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | Q97 C98 N132 F133 L135 | Q97-C114 WeakPolarHBondContact O-CA 3.49Å; C98-C114 HydrophobicContact CB-CB 4.03Å; C98-C114 WeakPolarHBondContact CB-SG 3.11Å; C98-C114 WeakPolarHBondContact SG-CB 3.46Å; C98-C114 CovalentContact SG-SG 2.03Å; C98-C114 PolarHBondContact SG-SG 3.13Å; C114-N132 WeakPolarHBondContact O-CA 3.08Å; C114-F133 HydrophobicContact CB-CD1 4.48Å; C114-F133 HydrophobicContact CB-CD2 4.37Å; C114-F133 HydrophobicContact CB-CE1 3.98Å; C114-F133 HydrophobicContact CB-CE2 3.86Å; C114-F133 HydrophobicContact CB-CZ 3.63Å; C114-F133 PolarHBondContact N-O 2.87Å; C114-F133 WeakPolarHBondContact O-CD1 3.3Å; C114-F133 PolarHBondContact O-N 3Å; C114-L135 VanDerWaalsContact SG-CB 3.53Å |
| 115 | K | 93.3 | Very high | 91.9 | Very high | 99 Ų | 99 | 68.9 Ų | 68.9 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.2 | 171.5 | 60.7 | -179.3 | -179.4 | 179.5 | 0 | 110.4 | I96 Q97 S131 | I96-K115 CarbonylContact C-O 3.58Å; I96-K115 WeakPolarHBondContact CA-O 3.32Å; Q97-K115 HydrophobicContact CB-CG 4.17Å; Q97-K115 PolarHBondContact N-O 2.72Å; Q97-K115 WeakPolarHBondContact O-CG 3.28Å; Q97-K115 PolarHBondContact O-N 3.25Å; K115-S131 WeakPolarHBondContact CB-O 3.5Å |
| 116 | P | 92.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 150.3 | 171.4 | 28.4 | -31.5 | 0 | 0 | 0 | 110.4 | V120 S131 | P116-V120 HydrophobicContact CB-CB 4.36Å; P116-S131 VanDerWaalsContact CD-O 3.3Å; P116-S131 WeakPolarHBondContact CD-O 3.17Å |
| 117 | K | 91 | Very high | 90.4 | Very high | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -67 | 161.6 | 171.9 | -76.9 | -175.2 | 176.1 | 174.7 | 0 | 110.9 | Y78 S94 C95 G119 V120 | Y78-K117 HydrophobicContact CD2-CD 4.19Å; Y78-K117 HydrophobicContact CE2-CB 4.08Å; Y78-K117 HydrophobicContact CE2-CD 4.24Å; S94-K117 WeakPolarHBondContact O-CD 3.47Å; S94-K117 WeakPolarHBondContact O-CE 3.48Å; S94-K117 PolarHBondContact O-NZ 3.09Å; C95-K117 PolarHBondContact O-N 2.85Å; K117-G119 PolarHBondContact O-N 3.37Å; K117-V120 PolarHBondContact O-N 3.11Å; K117-V120 VanDerWaalsContact O-N 3.14Å |
| 118 | K | 88.3 | Confident | 89.9 | Confident | 157 Ų | 157 | 68.6 Ų | 68.6 | 68% | 0.683 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 135.3 | 176.5 | -61.7 | -178.9 | -175 | 173.2 | 0 | 109.8 | E75 V120 | E75-K118 IonicContact OE1-NZ 3.9Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.87Å |
| 119 | G | 84.7 | Confident | 89.3 | Confident | 50 Ų | 50 | 69 Ų | 69 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -2.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K117 | K117-G119 PolarHBondContact O-N 3.37Š|
| 120 | V | 88.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | trans | -104 | 120.2 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | C82 L91 P116 K117 K118 | C82-V120 HydrophobicContact CB-CG1 4.16Å; C82-V120 HydrophobicContact CB-CG2 3.7Å; L91-V120 HydrophobicContact CD2-CG1 3.44Å; L91-V120 VanDerWaalsContact CD2-CG1 3.44Å; P116-V120 HydrophobicContact CB-CB 4.36Å; K117-V120 PolarHBondContact O-N 3.11Å; K117-V120 VanDerWaalsContact O-N 3.14Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.87Å | ||
| 121 | H | 89.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | trans | -106.2 | 124.4 | 177.7 | -62.4 | -84 | 0 | 0 | 0 | 110.5 | G85 Q129 | G85-H121 PolarHBondContact N-O 3.09Å; H121-Q129 PolarHBondContact ND1-NE2 3.37Å | ||
| 122 | C | 89.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | trans | -127.6 | 153 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | G86 C88 L91 Q130 | G86-C122 WeakPolarHBondContact O-CA 3.41Å; C88-C122 VanDerWaalsContact CA-SG 3.58Å; C88-C122 HydrophobicContact CB-CB 3.97Å; C88-C122 WeakPolarHBondContact CB-SG 3.1Å; C88-C122 WeakPolarHBondContact SG-CB 3.24Å; C88-C122 CovalentContact SG-SG 2.05Å; C88-C122 PolarHBondContact SG-SG 2.61Å; L91-C122 HydrophobicContact CD1-CB 3.38Å; L91-C122 HydrophobicContact CD2-CB 4.36Å; C122-Q130 PolarHBondContact O-N 2.94Å | ||
| 123 | V | 90.8 | Very high | 88 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -105.9 | 140.4 | 178.9 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | G86 Q87 C88 | G86-V123 WeakPolarHBondContact O-CG2 3.48Å; G86-V123 PolarHBondContact O-N 3.28Å; Q87-V123 WeakPolarHBondContact CA-O 3.33Å; C88-V123 PolarHBondContact N-O 2.92Å |
| 124 | G | 87.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 7% | 0.072 | 39% | 0.392 | C | S | . | . | trans | -74.3 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S126 G127 E128 Q130 | G124-S126 PolarHBondContact O-N 3.25Å; G124-S126 VanDerWaalsContact O-N 3.16Å; G124-G127 PolarHBondContact O-N 3.47Å; G124-E128 PolarHBondContact N-O 3.01Å; G124-Q130 VanDerWaalsContact CA-CD 3.42Å | ||
| 125 | K | 81.9 | Confident | 87.9 | Confident | 174 Ų | 174 | 72 Ų | 72 | 76% | 0.757 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.2 | 175 | -64.8 | 179.1 | -175.5 | 165.9 | 0 | 113.2 | D89 | D89-K125 WeakPolarHBondContact OD2-CE 3.26Å; D89-K125 IonicContact OD2-NZ 3.22Å; D89-K125 PolarHBondContact OD2-NZ 3.02Å |
| 126 | S | 79.6 | Confident | 87.9 | Confident | 79 Ų | 79 | 71 Ų | 71 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 1.1 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | G124 E128 | G124-S126 PolarHBondContact O-N 3.25Å; G124-S126 VanDerWaalsContact O-N 3.16Å; S126-E128 PolarHBondContact O-N 3.34Å |
| 127 | G | 80.3 | Confident | 88 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 79.2 | -0.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G124 | G124-G127 PolarHBondContact O-N 3.47Š|
| 128 | E | 83.3 | Confident | 88.2 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -87.1 | 149 | 176.8 | -65.1 | 177.5 | 151.8 | 0 | 0 | 111.7 | G124 S126 Q130 | G124-E128 PolarHBondContact N-O 3.01Å; S126-E128 PolarHBondContact O-N 3.34Å; E128-Q130 PolarHBondContact O-N 2.9Å |
| 129 | Q | 84.5 | Confident | 88.6 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 66% | 0.659 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -69.8 | 121.1 | 174.2 | -176.6 | 176.4 | -20.1 | 0 | 0 | 110.1 | H121 | H121-Q129 PolarHBondContact ND1-NE2 3.37Å |
| 130 | Q | 83.4 | Confident | 89.1 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | trans | -105 | 127.2 | -178.1 | -67.6 | -174.4 | -17.7 | 0 | 0 | 111.6 | C122 G124 E128 | C122-Q130 PolarHBondContact O-N 2.94Å; G124-Q130 VanDerWaalsContact CA-CD 3.42Å; E128-Q130 PolarHBondContact O-N 2.9Å | ||
| 131 | S | 85.8 | Confident | 89.4 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -87.1 | -25.6 | 172.1 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | K115 P116 | K115-S131 WeakPolarHBondContact CB-O 3.5Å; P116-S131 VanDerWaalsContact CD-O 3.3Å; P116-S131 WeakPolarHBondContact CD-O 3.17Å |
| 132 | N | 92.2 | Very high | 89.8 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -138 | 137.3 | 173.5 | -64.1 | -77.2 | 0 | 0 | 0 | 108.8 | T113 C114 | T113-N132 HydrophobicContact CG2-CB 4.42Å; C114-N132 WeakPolarHBondContact O-CA 3.08Å |
| 133 | F | 92.3 | Very high | 90 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 166.3 | 177.7 | 65 | -85 | 0 | 0 | 0 | 110.3 | C88 I96 C114 L135 | C88-F133 HydrophobicContact CB-CB 4.18Å; C88-F133 HydrophobicContact CB-CD1 3.66Å; C88-F133 HydrophobicContact CB-CD2 3.9Å; C88-F133 HydrophobicContact CB-CE1 3.94Å; C88-F133 HydrophobicContact CB-CE2 4.16Å; C88-F133 HydrophobicContact CB-CG 3.65Å; C88-F133 HydrophobicContact CB-CZ 4.18Å; C88-F133 WeakPolarHBondContact O-CE2 3.43Å; C88-F133 WeakPolarHBondContact O-CZ 3.46Å; I96-F133 HydrophobicContact CB-CZ 4.39Å; I96-F133 HydrophobicContact CD1-CZ 4.24Å; I96-F133 HydrophobicContact CG2-CE1 4.35Å; I96-F133 HydrophobicContact CG2-CZ 3.91Å; C114-F133 HydrophobicContact CB-CD1 4.48Å; C114-F133 HydrophobicContact CB-CD2 4.37Å; C114-F133 HydrophobicContact CB-CE1 3.98Å; C114-F133 HydrophobicContact CB-CE2 3.86Å; C114-F133 HydrophobicContact CB-CZ 3.63Å; C114-F133 PolarHBondContact N-O 2.87Å; C114-F133 WeakPolarHBondContact O-CD1 3.3Å; C114-F133 PolarHBondContact O-N 3Å; F133-L135 HydrophobicContact CE2-CB 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.44Å |
| 134 | T | 92.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.6 | -178.8 | -56 | 0 | 0 | 0 | 0 | 109.9 | F112 | F112-T134 WeakPolarHBondContact O-CA 3.28Å |
| 135 | L | 93.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.5 | 178.6 | -173.6 | 69.9 | 0 | 0 | 0 | 110.2 | I96 S111 F112 C114 F133 I137 H179 | I96-L135 HydrophobicContact CD1-CD2 3.77Å; S111-L135 WeakPolarHBondContact CA-O 3.28Å; F112-L135 PolarHBondContact N-O 2.83Å; F112-L135 PolarHBondContact O-N 3.48Å; C114-L135 VanDerWaalsContact SG-CB 3.53Å; F133-L135 HydrophobicContact CE2-CB 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.44Å; L135-I137 HydrophobicContact CD2-CG2 3.73Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; L135-H179 HydrophobicContact CD2-CB 4.41Å |
| 136 | S | 94.8 | Very high | 91.4 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.6 | 174.4 | -165.1 | 0 | 0 | 0 | 0 | 110.3 | A110 | A110-S136 WeakPolarHBondContact O-CA 3.2Å |
| 137 | I | 94.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.9 | 179.7 | 72.5 | 171.1 | 0 | 0 | 0 | 110.2 | Y100 P109 A110 F112 L135 C139 H179 L181 | Y100-I137 HydrophobicContact CD1-CD1 4.12Å; Y100-I137 HydrophobicContact CE1-CD1 3.6Å; P109-I137 CarbonylContact C-O 3.55Å; P109-I137 WeakPolarHBondContact CA-O 3.04Å; A110-I137 PolarHBondContact N-O 2.04Å; A110-I137 PolarHBondContact O-N 2.81Å; F112-I137 HydrophobicContact CD2-CD1 3.81Å; F112-I137 HydrophobicContact CD2-CG1 3.68Å; F112-I137 HydrophobicContact CE2-CD1 3.7Å; F112-I137 HydrophobicContact CE2-CG1 3.52Å; L135-I137 HydrophobicContact CD2-CG2 3.73Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; I137-C139 PolarHBondContact O-N 2.82Å; I137-H179 HydrophobicContact CB-CB 4.19Å; I137-H179 HydrophobicContact CD1-CB 4.41Å; I137-H179 HydrophobicContact CG2-CB 3.49Å; I137-H179 VanDerWaalsContact CG2-CB 3.49Å; I137-L181 HydrophobicContact CD1-CD1 4.48Å |
| 138 | T | 95.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 65 Ų | 65 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131 | 171.1 | -55.2 | 0 | 0 | 0 | 0 | 110 | Q140 | T138-Q140 HydrophobicContact CG2-CG 4.45Å; T138-Q140 PolarHBondContact O-N 2.91Å |
| 139 | C | 95.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -69.9 | 91.1 | 176.9 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | C104 T105 Y106 G107 K108 A110 I137 | C104-C139 HydrophobicContact CB-CB 3.66Å; C104-C139 WeakPolarHBondContact CB-SG 3.45Å; C104-C139 PolarHBondContact O-SG 2.04Å; C104-C139 VanDerWaalsContact O-SG 3.34Å; C104-C139 WeakPolarHBondContact SG-CB 3.45Å; C104-C139 CovalentContact SG-SG 2.03Å; C104-C139 PolarHBondContact SG-SG 2.84Å; T105-C139 VanDerWaalsContact O-CB 3.26Å; T105-C139 WeakPolarHBondContact O-CB 3.34Å; Y106-C139 CarbonylContact C-O 3.58Å; Y106-C139 WeakPolarHBondContact CA-O 3.34Å; G107-C139 PolarHBondContact N-O 2.91Å; K108-C139 WeakPolarHBondContact O-CB 3.02Å; K108-C139 PolarHBondContact O-N 2.83Å; A110-C139 HydrophobicContact CB-CB 4.45Å; I137-C139 PolarHBondContact O-N 2.82Å |
| 140 | Q | 96.1 | Very high | 94 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | trans | -152.2 | 144 | 175.2 | 61.9 | -174.5 | 25.4 | 0 | 0 | 110.8 | Y106 T138 L145 L181 | Y106-Q140 HydrophobicContact CD2-CB 4.35Å; Y106-Q140 HydrophobicContact CE2-CB 3.89Å; T138-Q140 HydrophobicContact CG2-CG 4.45Å; T138-Q140 PolarHBondContact O-N 2.91Å; Q140-L145 HydrophobicContact CG-CD1 3.85Å; Q140-L181 VanDerWaalsContact O-CD1 3.32Å; Q140-L181 WeakPolarHBondContact O-CD1 3.41Å; Q140-L181 PolarHBondContact O-N 3.33Å | ||
| 141 | F | 95.9 | Very high | 94.6 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 148 | 177.1 | -71 | -82 | 0 | 0 | 0 | 111.6 | H102 W143 Q144 L145 L181 | H102-F141 AromaticContact CD2-CE1 3.61Å; H102-F141 AromaticContact CD2-CZ 3.75Å; H102-F141 AromaticContact NE2-CE1 3.98Å; F141-W143 HydrophobicContact CB-CG 4.41Å; F141-W143 VanDerWaalsContact CB-NE1 3.28Å; F141-W143 AromaticContact CG-NE1 3.77Å; F141-W143 PolarHBondContact O-N 2.88Å; F141-Q144 HydrophobicContact CB-CG 4.43Å; F141-Q144 VanDerWaalsContact CD2-OE1 3.28Å; F141-Q144 WeakPolarHBondContact O-CB 3.33Å; F141-Q144 PolarHBondContact O-N 3.48Å; F141-L145 WeakPolarHBondContact O-CD1 3.48Å; F141-L181 CarbonylContact C-O 3.21Å; F141-L181 WeakPolarHBondContact CA-O 3.42Å; F141-L181 HydrophobicContact CD1-CB 3.86Å; F141-L181 HydrophobicContact CE1-CB 4.15Å; F141-L181 HydrophobicContact CG-CB 4.43Å |
| 142 | C | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -52.7 | -29.4 | -177.6 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | V174 C180 L181 K183 F186 | C142-V174 HydrophobicContact CB-CG2 3.85Å; C142-C180 WeakPolarHBondContact CA-SG 3.37Å; C142-C180 HydrophobicContact CB-CB 3.94Å; C142-C180 WeakPolarHBondContact CB-SG 3.23Å; C142-C180 VanDerWaalsContact SG-C 3.6Å; C142-C180 WeakPolarHBondContact SG-CB 2.94Å; C142-C180 CovalentContact SG-SG 2.04Å; C142-C180 PolarHBondContact SG-SG 2.96Å; C142-L181 PolarHBondContact N-O 3.35Å; C142-L181 PolarHBondContact SG-O 2.97Å; C142-K183 VanDerWaalsContact CB-O 3.31Å; C142-K183 WeakPolarHBondContact CB-O 3.42Å; C142-F186 HydrophobicContact CB-CD1 4.41Å; C142-F186 HydrophobicContact CB-CE1 4.49Å; C142-F186 WeakPolarHBondContact O-CE1 3.35Å |
| 143 | W | 95.6 | Very high | 95.2 | Very high | 152 Ų | 152 | 56.5 Ų | 56.5 | 58% | 0.576 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -83.4 | -11.8 | 179 | 61.8 | -91.2 | 0 | 0 | 0 | 114.3 | F141 F186 | F141-W143 HydrophobicContact CB-CG 4.41Å; F141-W143 VanDerWaalsContact CB-NE1 3.28Å; F141-W143 AromaticContact CG-NE1 3.77Å; F141-W143 PolarHBondContact O-N 2.88Å; W143-F186 HydrophobicContact CB-CD1 4.41Å; W143-F186 HydrophobicContact CB-CD2 3.87Å; W143-F186 HydrophobicContact CB-CE2 4.07Å; W143-F186 HydrophobicContact CB-CG 4.06Å; W143-F186 HydrophobicContact CB-CZ 4.43Å |
| 144 | Q | 95.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -96.3 | -3.3 | 177.5 | -64.7 | 179.7 | -84.7 | 0 | 0 | 113.4 | Y106 F141 | Y106-Q144 HydrophobicContact CE2-CB 4.47Å; Y106-Q144 VanDerWaalsContact CE2-NE2 3.3Å; F141-Q144 HydrophobicContact CB-CG 4.43Å; F141-Q144 VanDerWaalsContact CD2-OE1 3.28Å; F141-Q144 WeakPolarHBondContact O-CB 3.33Å; F141-Q144 PolarHBondContact O-N 3.48Å |
| 145 | L | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -59.4 | 160.8 | 177.3 | -89.3 | 57.5 | 0 | 0 | 0 | 111.4 | Q140 F141 E149 Y150 V174 V178 C180 | Q140-L145 HydrophobicContact CG-CD1 3.85Å; F141-L145 WeakPolarHBondContact O-CD1 3.48Å; L145-E149 HydrophobicContact CB-CB 4.16Å; L145-E149 WeakPolarHBondContact CB-OE2 3.35Å; L145-E149 HydrophobicContact CD2-CB 3.99Å; L145-E149 HydrophobicContact CG-CB 4.32Å; L145-E149 WeakPolarHBondContact CG-OE2 3.12Å; L145-Y150 HydrophobicContact CB-CD1 4.08Å; L145-Y150 WeakPolarHBondContact O-CE1 3.47Å; L145-V174 HydrophobicContact CD2-CB 4.49Å; L145-V174 HydrophobicContact CD2-CG1 3.58Å; L145-V174 HydrophobicContact CD2-CG2 4.03Å; L145-V178 HydrophobicContact CD2-CG1 3.54Å; L145-V178 HydrophobicContact CG-CG1 4.43Å; L145-C180 HydrophobicContact CD1-CB 3.74Å; L145-C180 HydrophobicContact CD2-CB 4.13Å |
| 146 | D | 95.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 63 Ų | 63 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | trans | -67.3 | 147.1 | 173.5 | -174 | -91.6 | 0 | 0 | 0 | 110.7 | S148 E149 Y150 | D146-S148 PolarHBondContact O-N 2.8Å; D146-S148 VanDerWaalsContact OD1-CB 3.3Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.46Å; D146-E149 HydrophobicContact CB-CG 4.36Å; D146-E149 PolarHBondContact N-OE2 2.89Å; D146-E149 PolarHBondContact O-N 2.82Å; D146-Y150 VanDerWaalsContact O-CD1 3.28Å; D146-Y150 WeakPolarHBondContact O-CD1 3.14Å; D146-Y150 VanDerWaalsContact O-CE1 3.28Å; D146-Y150 WeakPolarHBondContact O-CE1 3.19Å | ||
| 147 | P | 94.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.8 | 176.8 | -26.1 | 35.5 | 0 | 0 | 0 | 116 | E149 | P147-E149 VanDerWaalsContact C-N 3.33Š|
| 148 | S | 95.5 | Very high | 93 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 53% | 0.531 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21 | 174.1 | 59.2 | 0 | 0 | 0 | 0 | 114 | D146 L175 | D146-S148 PolarHBondContact O-N 2.8Å; D146-S148 VanDerWaalsContact OD1-CB 3.3Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.46Å; S148-L175 WeakPolarHBondContact O-CD1 2.88Å |
| 149 | E | 96.6 | Very high | 92.4 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -95.7 | -2.7 | -172.1 | -62.4 | -179.3 | 136.6 | 0 | 0 | 113.8 | L145 D146 P147 L175 V178 | L145-E149 HydrophobicContact CB-CB 4.16Å; L145-E149 WeakPolarHBondContact CB-OE2 3.35Å; L145-E149 HydrophobicContact CD2-CB 3.99Å; L145-E149 HydrophobicContact CG-CB 4.32Å; L145-E149 WeakPolarHBondContact CG-OE2 3.12Å; D146-E149 HydrophobicContact CB-CG 4.36Å; D146-E149 PolarHBondContact N-OE2 2.89Å; D146-E149 PolarHBondContact O-N 2.82Å; P147-E149 VanDerWaalsContact C-N 3.33Å; E149-L175 WeakPolarHBondContact O-CB 3.47Å; E149-L175 VanDerWaalsContact O-CG 3.32Å; E149-L175 WeakPolarHBondContact O-CG 3.5Å; E149-L175 PolarHBondContact O-N 2.03Å; E149-V178 HydrophobicContact CB-CG1 4.36Å; E149-V178 HydrophobicContact CB-CG2 4.15Å; E149-V178 HydrophobicContact CG-CG2 4.4Å |
| 150 | Y | 96.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158 | 176.8 | 63.2 | -102.1 | 0 | 0 | 0 | 111.8 | L145 D146 C152 C172 D173 F186 K188 | L145-Y150 HydrophobicContact CB-CD1 4.08Å; L145-Y150 WeakPolarHBondContact O-CE1 3.47Å; D146-Y150 VanDerWaalsContact O-CD1 3.28Å; D146-Y150 WeakPolarHBondContact O-CD1 3.14Å; D146-Y150 VanDerWaalsContact O-CE1 3.28Å; D146-Y150 WeakPolarHBondContact O-CE1 3.19Å; Y150-C152 WeakPolarHBondContact CD2-SG 3.08Å; Y150-C152 WeakPolarHBondContact CE2-SG 3.33Å; Y150-C172 HydrophobicContact CD2-CB 4.08Å; Y150-D173 CarbonylContact C-O 3.54Å; Y150-D173 WeakPolarHBondContact CA-O 3.39Å; Y150-D173 WeakPolarHBondContact CB-O 3.31Å; Y150-F186 HydrophobicContact CD1-CZ 4.15Å; Y150-F186 HydrophobicContact CD2-CZ 4.36Å; Y150-F186 HydrophobicContact CE1-CZ 4.46Å; Y150-F186 HydrophobicContact CG-CZ 4.1Å; Y150-K188 PolarHBondContact OH-NZ 3.03Å |
| 151 | R | 96.6 | Very high | 91.2 | Very high | 171 Ų | 171 | 70.1 Ų | 70.1 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.5 | 175.2 | -62.8 | -62.7 | -174.2 | -167.1 | -0.9 | 109.6 | C172 D173 L175 | R151-C172 CarbonylContact O-C 3.32Å; R151-C172 WeakPolarHBondContact O-CA 3.29Å; R151-D173 PolarHBondContact N-O 3.31Å; R151-D173 PolarHBondContact O-N 3.07Å; R151-L175 HydrophobicContact CG-CD2 3.88Å |
| 152 | C | 95.6 | Very high | 90.3 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 28% | 0.284 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.2 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.5 | Y150 N154 A170 T171 C172 L190 | Y150-C152 WeakPolarHBondContact CD2-SG 3.08Å; Y150-C152 WeakPolarHBondContact CE2-SG 3.33Å; C152-N154 PolarHBondContact O-N 3.37Å; C152-A170 HydrophobicContact CB-CB 4.11Å; C152-T171 CarbonylContact C-O 3.55Å; C152-T171 WeakPolarHBondContact CA-O 3.31Å; C152-C172 HydrophobicContact CB-CB 4.1Å; C152-C172 WeakPolarHBondContact CB-SG 3.5Å; C152-C172 WeakPolarHBondContact SG-CB 3.43Å; C152-C172 CovalentContact SG-SG 2.04Å; C152-C172 PolarHBondContact SG-SG 3.47Å; C152-L190 HydrophobicContact CB-CD1 3.71Å |
| 153 | S | 94.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -61.3 | 131.1 | 171.3 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | Y168 T171 | S153-Y168 PolarHBondContact O-OH 2.86Å; S153-T171 PolarHBondContact N-O 2.9Å; S153-T171 PolarHBondContact OG-N 3.42Å; S153-T171 PolarHBondContact OG-O 2.99Å | ||
| 154 | N | 89.9 | Confident | 89 | Confident | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | trans | -87.3 | 148.5 | 172.5 | -157.9 | -2.8 | 0 | 0 | 0 | 110.9 | C152 | C152-N154 PolarHBondContact O-N 3.37Š| ||
| 155 | S | 85.3 | Confident | 88.5 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 25% | 0.252 | 43% | 0.431 | S | S | . | . | trans | -111.1 | 127.5 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 156 | T | 82.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -90.7 | -14.2 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 113 | C158 | T156-C158 VanDerWaalsContact C-N 3.29Å; T156-C158 PolarHBondContact O-N 2.91Å |
| 157 | N | 80.6 | Confident | 87.9 | Confident | 146 Ų | 146 | 85.3 Ų | 85.3 | 78% | 0.781 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -94.2 | 31.8 | -176.5 | -163.1 | -96.6 | 0 | 0 | 0 | 112.3 | ||
| 158 | C | 84.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 82.9 Ų | 82.9 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | trans | -132.9 | 140.7 | -175.3 | 88.8 | 0 | 0 | 0 | 0 | 113.5 | T156 C192 | T156-C158 VanDerWaalsContact C-N 3.29Å; T156-C158 PolarHBondContact O-N 2.91Å; C158-C192 HydrophobicContact CB-CB 4.17Å; C158-C192 WeakPolarHBondContact CB-SG 3.39Å; C158-C192 WeakPolarHBondContact SG-CB 3.33Å; C158-C192 CovalentContact SG-SG 2.03Å; C158-C192 PolarHBondContact SG-SG 3.41Å | ||
| 159 | M | 82.7 | Confident | 87.6 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 51% | 0.507 | 44% | 0.438 | S | S | . | . | trans | -84.9 | 122.5 | -176.7 | -63.6 | 167.8 | 175.3 | 0 | 0 | 109.2 | ||||
| 160 | T | 84.7 | Confident | 87.6 | Confident | 5 Ų | 5 | 81.6 Ų | 81.6 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -82.7 | -36 | -179.5 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S162 C192 W194 G257 L259 | T160-S162 PolarHBondContact O-N 3.38Å; T160-C192 WeakPolarHBondContact CG2-O 3.42Å; T160-W194 PolarHBondContact OG1-N 2.78Å; T160-W194 VanDerWaalsContact OG1-N 3.07Å; T160-W194 PolarHBondContact OG1-O 3.25Å; T160-G257 WeakPolarHBondContact CA-O 3.49Å; T160-G257 WeakPolarHBondContact CB-O 3.47Å; T160-G257 PolarHBondContact N-O 2.85Å; T160-L259 HydrophobicContact CG2-CB 4.04Å; T160-L259 HydrophobicContact CG2-CD1 3.84Å; T160-L259 HydrophobicContact CG2-CG 4.48Å |
| 161 | V | 81.4 | Confident | 87.6 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -94.7 | 25.1 | -173.4 | -57.9 | 0 | 0 | 0 | 0 | 114.6 | G257 | V161-G257 PolarHBondContact N-O 3.38Å; V161-G257 VanDerWaalsContact N-O 3.16Å |
| 162 | S | 76.5 | Confident | 87.6 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | trans | -80.1 | 146.8 | 175.8 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | T160 P164 R165 K166 | T160-S162 PolarHBondContact O-N 3.38Å; S162-P164 CarbonylContact C-O 3.59Å; S162-P164 VanDerWaalsContact C-O 3.32Å; S162-P164 CarbonylContact O-C 3.05Å; S162-P164 VanDerWaalsContact O-O 3.07Å; S162-P164 PolarHBondContact OG-O 3.1Å; S162-R165 VanDerWaalsContact O-CA 3.24Å; S162-R165 WeakPolarHBondContact O-CA 3.33Å; S162-R165 PolarHBondContact O-N 3.26Å; S162-R165 VanDerWaalsContact O-N 3.1Å; S162-K166 PolarHBondContact OG-N 3.3Å | ||
| 163 | C | 80.1 | Confident | 87.6 | Confident | 133 Ų | 133 | 75 Ų | 75 | 90% | 0.899 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -114.4 | 115.2 | 169.2 | -77.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 164 | P | 84.9 | Confident | 87.8 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 79% | 0.786 | 39% | 0.386 | S | S | * | . | S | Bend | cis | -68.9 | 159 | -3.5 | 29.9 | -35.3 | 0 | 0 | 0 | 113 | S162 K166 | S162-P164 CarbonylContact C-O 3.59Å; S162-P164 VanDerWaalsContact C-O 3.32Å; S162-P164 CarbonylContact O-C 3.05Å; S162-P164 VanDerWaalsContact O-O 3.07Å; S162-P164 PolarHBondContact OG-O 3.1Å; P164-K166 PolarHBondContact O-N 3.4Å |
| 165 | R | 85.4 | Confident | 88 | Confident | 162 Ų | 162 | 69.8 Ų | 69.8 | 61% | 0.611 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 122.1 | 179 | -83.7 | -173.2 | 158.8 | 171.7 | -2.3 | 111 | S162 F191 | S162-R165 VanDerWaalsContact O-CA 3.24Å; S162-R165 WeakPolarHBondContact O-CA 3.33Å; S162-R165 PolarHBondContact O-N 3.26Å; S162-R165 VanDerWaalsContact O-N 3.1Å; R165-F191 HydrophobicContact CB-CD1 3.94Å; R165-F191 HydrophobicContact CB-CE1 4.06Å |
| 166 | K | 87.3 | Confident | 88.4 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 47% | 0.47 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 139.7 | 179.7 | -165.1 | 174.5 | -176.5 | -178.7 | 0 | 110.6 | S162 P164 C192 | S162-K166 PolarHBondContact OG-N 3.3Å; P164-K166 PolarHBondContact O-N 3.4Å; K166-C192 PolarHBondContact O-N 3.5Å |
| 167 | R | 91 | Very high | 88.8 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 56% | 0.562 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 147.3 | 171.1 | -65.5 | -176.8 | 178.3 | 174.6 | 2.3 | 109.7 | L190 F191 | R167-L190 CarbonylContact C-O 3.6Å; R167-L190 VanDerWaalsContact CA-O 3.23Å; R167-L190 WeakPolarHBondContact CA-O 3.28Å; R167-F191 HydrophobicContact CG-CD1 3.79Å; R167-F191 HydrophobicContact CG-CE1 3.88Å; R167-F191 HydrophobicContact CG-CG 4.5Å |
| 168 | Y | 91.4 | Very high | 89.5 | Confident | 31 Ų | 31 | 68 Ų | 68 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.6 | 173 | 73.9 | -82.4 | 0 | 0 | 0 | 110.7 | S153 A170 R189 L190 F191 C192 | S153-Y168 PolarHBondContact O-OH 2.86Å; Y168-A170 HydrophobicContact CD2-CB 4.17Å; Y168-A170 HydrophobicContact CE2-CB 3.57Å; Y168-R189 WeakPolarHBondContact O-CA 3.32Å; Y168-L190 HydrophobicContact CE1-CB 4.01Å; Y168-L190 PolarHBondContact N-O 2.97Å; Y168-L190 PolarHBondContact O-N 3Å; Y168-F191 WeakPolarHBondContact CE1-O 3.48Å; Y168-C192 HydrophobicContact CD1-CB 4.5Å |
| 169 | N | 94.1 | Very high | 89.9 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.7 | 173.1 | -65.5 | -18.4 | 0 | 0 | 0 | 108 | R189 | N169-R189 VanDerWaalsContact OD1-CG 3.23Å; N169-R189 WeakPolarHBondContact OD1-CG 3.44Å; N169-R189 PolarHBondContact OD1-NE 3.5Å |
| 170 | A | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C152 Y168 Q187 K188 L190 | C152-A170 HydrophobicContact CB-CB 4.11Å; Y168-A170 HydrophobicContact CD2-CB 4.17Å; Y168-A170 HydrophobicContact CE2-CB 3.57Å; A170-Q187 WeakPolarHBondContact O-CA 3.48Å; A170-Q187 PolarHBondContact O-OE1 3.45Å; A170-K188 PolarHBondContact N-O 2.87Å; A170-K188 PolarHBondContact O-N 2.85Å; A170-L190 HydrophobicContact CB-CD1 3.61Å; A170-L190 HydrophobicContact CB-CG 4.04Å |
| 171 | T | 96.6 | Very high | 91 | Very high | 29 Ų | 29 | 64.2 Ų | 64.2 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.2 | 167.7 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | C152 S153 R185 Q187 | C152-T171 CarbonylContact C-O 3.55Å; C152-T171 WeakPolarHBondContact CA-O 3.31Å; S153-T171 PolarHBondContact N-O 2.9Å; S153-T171 PolarHBondContact OG-N 3.42Å; S153-T171 PolarHBondContact OG-O 2.99Å; T171-R185 HydrophobicContact CG2-CG 3.71Å; T171-R185 VanDerWaalsContact CG2-NE 3.31Å; T171-Q187 PolarHBondContact OG1-NE2 3.1Å |
| 172 | C | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.9 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | Y150 R151 C152 R185 F186 | Y150-C172 HydrophobicContact CD2-CB 4.08Å; R151-C172 CarbonylContact O-C 3.32Å; R151-C172 WeakPolarHBondContact O-CA 3.29Å; C152-C172 HydrophobicContact CB-CB 4.1Å; C152-C172 WeakPolarHBondContact CB-SG 3.5Å; C152-C172 WeakPolarHBondContact SG-CB 3.43Å; C152-C172 CovalentContact SG-SG 2.04Å; C152-C172 PolarHBondContact SG-SG 3.47Å; C172-R185 CarbonylContact O-C 3.59Å; C172-R185 VanDerWaalsContact O-CA 3.31Å; C172-R185 WeakPolarHBondContact O-CA 3.4Å; C172-F186 HydrophobicContact CB-CD2 4.08Å; C172-F186 HydrophobicContact CB-CE1 4.13Å; C172-F186 HydrophobicContact CB-CE2 3.63Å; C172-F186 HydrophobicContact CB-CZ 3.66Å; C172-F186 PolarHBondContact N-O 3.03Å; C172-F186 PolarHBondContact O-N 2.95Å |
| 173 | D | 96.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 69 Ų | 69 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.9 | 177.5 | -66.7 | -72 | 0 | 0 | 0 | 109.2 | Y150 R151 R185 | Y150-D173 CarbonylContact C-O 3.54Å; Y150-D173 WeakPolarHBondContact CA-O 3.39Å; Y150-D173 WeakPolarHBondContact CB-O 3.31Å; R151-D173 PolarHBondContact N-O 3.31Å; R151-D173 PolarHBondContact O-N 3.07Å; D173-R185 WeakPolarHBondContact OD1-CB 3.44Å; D173-R185 VanDerWaalsContact OD1-CD 3.24Å; D173-R185 WeakPolarHBondContact OD1-CD 3.48Å; D173-R185 WeakPolarHBondContact OD1-CG 3.45Å; D173-R185 IonicContact OD1-CZ 3.62Å; D173-R185 IonicContact OD1-NE 3.75Å; D173-R185 IonicContact OD1-NH1 2.85Å; D173-R185 PolarHBondContact OD1-NH1 3.06Å; D173-R185 IonicContact OD2-CZ 3.47Å; D173-R185 IonicContact OD2-NH1 2.72Å; D173-R185 PolarHBondContact OD2-NH1 3.2Å |
| 174 | V | 97.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 65.4 Ų | 65.4 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 142.2 | 176.6 | 179 | 0 | 0 | 0 | 0 | 111.1 | C142 L145 V178 R184 F186 | C142-V174 HydrophobicContact CB-CG2 3.85Å; L145-V174 HydrophobicContact CD2-CB 4.49Å; L145-V174 HydrophobicContact CD2-CG1 3.58Å; L145-V174 HydrophobicContact CD2-CG2 4.03Å; V174-V178 HydrophobicContact CG1-CB 3.86Å; V174-V178 HydrophobicContact CG1-CG1 4.14Å; V174-R184 WeakPolarHBondContact CG2-O 3.17Å; V174-R184 PolarHBondContact N-O 3.32Å; V174-R184 VanDerWaalsContact N-O 3.13Å; V174-R184 PolarHBondContact O-NH2 3.33Å; V174-R184 VanDerWaalsContact O-NH2 3.09Å; V174-F186 HydrophobicContact CG2-CE1 3.87Å |
| 175 | L | 95.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | trans | -60.6 | 143.4 | 177.6 | -66.2 | 174.2 | 0 | 0 | 0 | 112 | S148 E149 R151 H177 V178 R184 | S148-L175 WeakPolarHBondContact O-CD1 2.88Å; E149-L175 WeakPolarHBondContact O-CB 3.47Å; E149-L175 VanDerWaalsContact O-CG 3.32Å; E149-L175 WeakPolarHBondContact O-CG 3.5Å; E149-L175 PolarHBondContact O-N 2.03Å; R151-L175 HydrophobicContact CG-CD2 3.88Å; L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.18Å; L175-V178 HydrophobicContact CB-CG2 4.09Å; L175-V178 PolarHBondContact O-N 2.89Å; L175-R184 VanDerWaalsContact C-NH2 3.33Å; L175-R184 PolarHBondContact O-NH2 3.3Å | ||
| 176 | D | 91.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 60.3 Ų | 60.3 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.4 | -170.4 | -78.2 | -38.8 | 0 | 0 | 0 | 114.9 | P92 A93 | P92-D176 WeakPolarHBondContact CA-O 3.02Å; P92-D176 HydrophobicContact CB-CB 4.28Å; A93-D176 PolarHBondContact N-O 2.74Å |
| 177 | H | 91.6 | Very high | 94.5 | Very high | 137 Ų | 137 | 61 Ų | 61 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.5 | 178.6 | 64.5 | -89 | 0 | 0 | 0 | 113.7 | L175 | L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.18Å |
| 178 | V | 94.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | trans | -96.9 | 125.5 | -179 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | L145 E149 V174 L175 R184 | L145-V178 HydrophobicContact CD2-CG1 3.54Å; L145-V178 HydrophobicContact CG-CG1 4.43Å; E149-V178 HydrophobicContact CB-CG1 4.36Å; E149-V178 HydrophobicContact CB-CG2 4.15Å; E149-V178 HydrophobicContact CG-CG2 4.4Å; V174-V178 HydrophobicContact CG1-CB 3.86Å; V174-V178 HydrophobicContact CG1-CG1 4.14Å; L175-V178 HydrophobicContact CB-CG2 4.09Å; L175-V178 PolarHBondContact O-N 2.89Å; V178-R184 PolarHBondContact O-NH1 3.35Å | ||
| 179 | H | 94.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | trans | -102.1 | 133.7 | 177.3 | -58.8 | -88.9 | 0 | 0 | 0 | 110.3 | L91 L135 I137 | L91-H179 PolarHBondContact O-CE1 2.9Å; L91-H179 VanDerWaalsContact O-CE1 3.28Å; L91-H179 PolarHBondContact O-NE2 2.91Å; L135-H179 HydrophobicContact CD2-CB 4.41Å; I137-H179 HydrophobicContact CB-CB 4.19Å; I137-H179 HydrophobicContact CD1-CB 4.41Å; I137-H179 HydrophobicContact CG2-CB 3.49Å; I137-H179 VanDerWaalsContact CG2-CB 3.49Å | ||
| 180 | C | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | trans | -151.2 | 159.5 | -173.6 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | C142 L145 | C142-C180 WeakPolarHBondContact CA-SG 3.37Å; C142-C180 HydrophobicContact CB-CB 3.94Å; C142-C180 WeakPolarHBondContact CB-SG 3.23Å; C142-C180 VanDerWaalsContact SG-C 3.6Å; C142-C180 WeakPolarHBondContact SG-CB 2.94Å; C142-C180 CovalentContact SG-SG 2.04Å; C142-C180 PolarHBondContact SG-SG 2.96Å; L145-C180 HydrophobicContact CD1-CB 3.74Å; L145-C180 HydrophobicContact CD2-CB 4.13Å | ||
| 181 | L | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 143.4 | 178.1 | -68.4 | 102.5 | 0 | 0 | 0 | 112.2 | Q101 F112 I137 Q140 F141 C142 | Q101-L181 WeakPolarHBondContact O-CD2 3.23Å; F112-L181 HydrophobicContact CZ-CD2 4.29Å; I137-L181 HydrophobicContact CD1-CD1 4.48Å; Q140-L181 VanDerWaalsContact O-CD1 3.32Å; Q140-L181 WeakPolarHBondContact O-CD1 3.41Å; Q140-L181 PolarHBondContact O-N 3.33Å; F141-L181 CarbonylContact C-O 3.21Å; F141-L181 WeakPolarHBondContact CA-O 3.42Å; F141-L181 HydrophobicContact CD1-CB 3.86Å; F141-L181 HydrophobicContact CE1-CB 4.15Å; F141-L181 HydrophobicContact CG-CB 4.43Å; C142-L181 PolarHBondContact N-O 3.35Å; C142-L181 PolarHBondContact SG-O 2.97Å |
| 182 | G | 93.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 65.2 Ų | 65.2 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 86.3 | -153 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 183 | K | 93.8 | Very high | 93.7 | Very high | 177 Ų | 177 | 70.5 Ų | 70.5 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | trans | -79.4 | 123.5 | -176.6 | -64.8 | -177.3 | -179.3 | 180 | 0 | 110.6 | C142 R185 | C142-K183 VanDerWaalsContact CB-O 3.31Å; C142-K183 WeakPolarHBondContact CB-O 3.42Å; K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 2.7Å | ||
| 184 | R | 94.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -69.3 | -26.5 | 178 | -62.9 | 179.7 | 61.9 | 74.6 | -0 | 114 | V174 L175 V178 | V174-R184 WeakPolarHBondContact CG2-O 3.17Å; V174-R184 PolarHBondContact N-O 3.32Å; V174-R184 VanDerWaalsContact N-O 3.13Å; V174-R184 PolarHBondContact O-NH2 3.33Å; V174-R184 VanDerWaalsContact O-NH2 3.09Å; L175-R184 VanDerWaalsContact C-NH2 3.33Å; L175-R184 PolarHBondContact O-NH2 3.3Å; V178-R184 PolarHBondContact O-NH1 3.35Å |
| 185 | R | 96.2 | Very high | 92.9 | Very high | 152 Ų | 152 | 72.8 Ų | 72.8 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.5 | 174 | -171.8 | 170.2 | -172.5 | 106.4 | -2.7 | 108.9 | T171 C172 D173 K183 | T171-R185 HydrophobicContact CG2-CG 3.71Å; T171-R185 VanDerWaalsContact CG2-NE 3.31Å; C172-R185 CarbonylContact O-C 3.59Å; C172-R185 VanDerWaalsContact O-CA 3.31Å; C172-R185 WeakPolarHBondContact O-CA 3.4Å; D173-R185 WeakPolarHBondContact OD1-CB 3.44Å; D173-R185 VanDerWaalsContact OD1-CD 3.24Å; D173-R185 WeakPolarHBondContact OD1-CD 3.48Å; D173-R185 WeakPolarHBondContact OD1-CG 3.45Å; D173-R185 IonicContact OD1-CZ 3.62Å; D173-R185 IonicContact OD1-NE 3.75Å; D173-R185 IonicContact OD1-NH1 2.85Å; D173-R185 PolarHBondContact OD1-NH1 3.06Å; D173-R185 IonicContact OD2-CZ 3.47Å; D173-R185 IonicContact OD2-NH1 2.72Å; D173-R185 PolarHBondContact OD2-NH1 3.2Å; K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 2.7Å |
| 186 | F | 96.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 10% | 0.101 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.1 | -174.6 | 62.1 | -91 | 0 | 0 | 0 | 112.1 | C142 W143 Y150 C172 V174 K188 | C142-F186 HydrophobicContact CB-CD1 4.41Å; C142-F186 HydrophobicContact CB-CE1 4.49Å; C142-F186 WeakPolarHBondContact O-CE1 3.35Å; W143-F186 HydrophobicContact CB-CD1 4.41Å; W143-F186 HydrophobicContact CB-CD2 3.87Å; W143-F186 HydrophobicContact CB-CE2 4.07Å; W143-F186 HydrophobicContact CB-CG 4.06Å; W143-F186 HydrophobicContact CB-CZ 4.43Å; Y150-F186 HydrophobicContact CD1-CZ 4.15Å; Y150-F186 HydrophobicContact CD2-CZ 4.36Å; Y150-F186 HydrophobicContact CE1-CZ 4.46Å; Y150-F186 HydrophobicContact CG-CZ 4.1Å; C172-F186 HydrophobicContact CB-CD2 4.08Å; C172-F186 HydrophobicContact CB-CE1 4.13Å; C172-F186 HydrophobicContact CB-CE2 3.63Å; C172-F186 HydrophobicContact CB-CZ 3.66Å; C172-F186 PolarHBondContact N-O 3.03Å; C172-F186 PolarHBondContact O-N 2.95Å; V174-F186 HydrophobicContact CG2-CE1 3.87Å; F186-K188 HydrophobicContact CD2-CB 4.4Å; F186-K188 HydrophobicContact CE2-CB 4.2Å; F186-K188 HydrophobicContact CE2-CD 4.21Å |
| 187 | Q | 95.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.3 | 177.2 | -64.3 | -61.6 | -42 | 0 | 0 | 109.8 | A170 T171 | A170-Q187 WeakPolarHBondContact O-CA 3.48Å; A170-Q187 PolarHBondContact O-OE1 3.45Å; T171-Q187 PolarHBondContact OG1-NE2 3.1Å |
| 188 | K | 94.5 | Very high | 92.2 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.6 | 177.2 | -168 | 166.1 | -177.1 | 164.4 | 0 | 110.6 | Y150 A170 F186 L190 | Y150-K188 PolarHBondContact OH-NZ 3.03Å; A170-K188 PolarHBondContact N-O 2.87Å; A170-K188 PolarHBondContact O-N 2.85Å; F186-K188 HydrophobicContact CD2-CB 4.4Å; F186-K188 HydrophobicContact CE2-CB 4.2Å; F186-K188 HydrophobicContact CE2-CD 4.21Å; K188-L190 HydrophobicContact CD-CD2 4.09Å; K188-L190 HydrophobicContact CG-CD2 4.06Å; K188-L190 PolarHBondContact O-N 2.74Å |
| 189 | R | 93 | Very high | 92.2 | Very high | 181 Ų | 181 | 70 Ų | 70 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 111.7 | 171.8 | -79.1 | -171.6 | 174.6 | -176.4 | 3.6 | 109.7 | Y168 N169 | Y168-R189 WeakPolarHBondContact O-CA 3.32Å; N169-R189 VanDerWaalsContact OD1-CG 3.23Å; N169-R189 WeakPolarHBondContact OD1-CG 3.44Å; N169-R189 PolarHBondContact OD1-NE 3.5Å |
| 190 | L | 92.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 155.3 | 177.3 | -62.2 | -179.9 | 0 | 0 | 0 | 110.5 | C152 R167 Y168 A170 K188 | C152-L190 HydrophobicContact CB-CD1 3.71Å; R167-L190 CarbonylContact C-O 3.6Å; R167-L190 VanDerWaalsContact CA-O 3.23Å; R167-L190 WeakPolarHBondContact CA-O 3.28Å; Y168-L190 HydrophobicContact CE1-CB 4.01Å; Y168-L190 PolarHBondContact N-O 2.97Å; Y168-L190 PolarHBondContact O-N 3Å; A170-L190 HydrophobicContact CB-CD1 3.61Å; A170-L190 HydrophobicContact CB-CG 4.04Å; K188-L190 HydrophobicContact CD-CD2 4.09Å; K188-L190 HydrophobicContact CG-CD2 4.06Å; K188-L190 PolarHBondContact O-N 2.74Å |
| 191 | F | 90.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 77 Ų | 77 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143.4 | 168.6 | -72 | -73.2 | 0 | 0 | 0 | 110.1 | R165 R167 Y168 N193 | R165-F191 HydrophobicContact CB-CD1 3.94Å; R165-F191 HydrophobicContact CB-CE1 4.06Å; R167-F191 HydrophobicContact CG-CD1 3.79Å; R167-F191 HydrophobicContact CG-CE1 3.88Å; R167-F191 HydrophobicContact CG-CG 4.5Å; Y168-F191 WeakPolarHBondContact CE1-O 3.48Å; F191-N193 PolarHBondContact O-N 2.97Å |
| 192 | C | 88.8 | Confident | 92.1 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | trans | -61.1 | 125 | 171.5 | -78.3 | 0 | 0 | 0 | 0 | 110.7 | C158 T160 K166 Y168 | C158-C192 HydrophobicContact CB-CB 4.17Å; C158-C192 WeakPolarHBondContact CB-SG 3.39Å; C158-C192 WeakPolarHBondContact SG-CB 3.33Å; C158-C192 CovalentContact SG-SG 2.03Å; C158-C192 PolarHBondContact SG-SG 3.41Å; T160-C192 WeakPolarHBondContact CG2-O 3.42Å; K166-C192 PolarHBondContact O-N 3.5Å; Y168-C192 HydrophobicContact CD1-CB 4.5Å | ||
| 193 | N | 88.1 | Confident | 92.1 | Very high | 110 Ų | 110 | 77.2 Ų | 77.2 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | trans | -137.1 | 68.5 | 173.7 | -170.1 | 12 | 0 | 0 | 0 | 108.3 | F191 | F191-N193 PolarHBondContact O-N 2.97Š| ||
| 194 | W | 87.1 | Confident | 92.1 | Very high | 56 Ų | 56 | 70.8 Ų | 70.8 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | trans | -113.2 | 137.2 | 178.9 | -179.5 | 71.8 | 0 | 0 | 0 | 110.9 | T160 D256 S258 L259 | T160-W194 PolarHBondContact OG1-N 2.78Å; T160-W194 VanDerWaalsContact OG1-N 3.07Å; T160-W194 PolarHBondContact OG1-O 3.25Å; W194-D256 HydrophobicContact CH2-CB 4.28Å; W194-D256 HydrophobicContact CZ3-CB 3.91Å; W194-S258 VanDerWaalsContact CE3-CB 3.48Å; W194-S258 VanDerWaalsContact CZ3-CB 3.41Å; W194-S258 WeakPolarHBondContact O-CA 3.39Å; W194-L259 PolarHBondContact O-N 3.09Å; W194-L259 VanDerWaalsContact O-N 3.1Å | ||
| 195 | T | 89.1 | Confident | 92.2 | Very high | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -117.9 | 128.7 | -180 | 54.7 | 0 | 0 | 0 | 0 | 109.4 | G197 L259 I261 | T195-G197 VanDerWaalsContact C-N 3.33Å; T195-L259 HydrophobicContact CG2-CB 4.21Å; T195-I261 HydrophobicContact CG2-CG1 4.13Å |
| 196 | G | 85.4 | Confident | 92.1 | Very high | 30 Ų | 30 | 65 Ų | 65 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | trans | -87.9 | 4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S258 | G196-S258 WeakPolarHBondContact CA-OG 3.43Å; G196-S258 PolarHBondContact N-OG 2.9Å | ||
| 197 | G | 89.7 | Confident | 91.9 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 89.6 | 0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T195 K199 | T195-G197 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.89Å |
| 198 | Y | 90.3 | Very high | 91.7 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | trans | -73.7 | 125.9 | -180 | -57.8 | -82.5 | 0 | 0 | 0 | 111 | Y219 P254 D256 S258 Y260 I261 | Y198-Y219 HydrophobicContact CD1-CE1 4.11Å; Y198-Y219 WeakPolarHBondContact CE1-O 3.07Å; Y198-P254 HydrophobicContact CD1-CB 4.48Å; Y198-P254 HydrophobicContact CD2-CB 3.46Å; Y198-P254 VanDerWaalsContact CD2-CB 3.46Å; Y198-P254 HydrophobicContact CD2-CG 3.46Å; Y198-P254 VanDerWaalsContact CD2-CG 3.46Å; Y198-P254 HydrophobicContact CE2-CB 3.6Å; Y198-P254 HydrophobicContact CE2-CG 4.15Å; Y198-P254 HydrophobicContact CG-CB 3.92Å; Y198-P254 HydrophobicContact CG-CG 3.66Å; Y198-D256 WeakPolarHBondContact CE2-OD2 3.43Å; Y198-D256 PolarHBondContact OH-OD2 3.01Å; Y198-S258 WeakPolarHBondContact CD2-OG 3.45Å; Y198-Y260 CarbonylContact O-C 3.57Å; Y198-Y260 WeakPolarHBondContact O-CA 3.46Å; Y198-I261 PolarHBondContact O-N 3.36Å | ||
| 199 | K | 94.1 | Very high | 91.6 | Very high | 113 Ų | 113 | 64.9 Ų | 64.9 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | trans | -93.1 | 128 | 177.2 | -66.8 | -174.7 | 179.3 | -177.3 | 0 | 110.2 | G197 S201 T202 A203 Y219 I261 | G197-K199 PolarHBondContact O-N 2.89Å; K199-S201 VanDerWaalsContact C-N 3.31Å; K199-S201 PolarHBondContact O-N 3.43Å; K199-T202 PolarHBondContact O-N 3.37Å; K199-A203 PolarHBondContact O-N 2.74Å; K199-A203 VanDerWaalsContact O-N 3.1Å; K199-Y219 PolarHBondContact N-OH 3.34Å; K199-I261 WeakPolarHBondContact CA-O 3.3Å | ||
| 200 | W | 93.6 | Very high | 91.4 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 179 | 177.3 | 80.7 | 0 | 0 | 0 | 111.7 | T202 A203 L204 I247 Y260 I261 | W200-T202 VanDerWaalsContact C-N 3.34Å; W200-T202 PolarHBondContact O-N 2.98Å; W200-A203 PolarHBondContact O-N 3.45Å; W200-L204 HydrophobicContact CH2-CD1 3.8Å; W200-L204 HydrophobicContact CZ2-CD1 3.65Å; W200-L204 HydrophobicContact CZ3-CD1 4.48Å; W200-L204 WeakPolarHBondContact O-CB 3.23Å; W200-L204 PolarHBondContact O-N 3.2Å; W200-I247 PolarHBondContact NE1-O 3.13Å; W200-Y260 HydrophobicContact CB-CD1 4.07Å; W200-Y260 HydrophobicContact CB-CD2 4.39Å; W200-Y260 HydrophobicContact CB-CG 3.89Å; W200-I261 PolarHBondContact N-O 3.19Å |
| 201 | S | 94 | Very high | 91.1 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 179 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | K199 L204 A205 | K199-S201 VanDerWaalsContact C-N 3.31Å; K199-S201 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.4Å |
| 202 | T | 94.4 | Very high | 90.8 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111 | K199 W200 L204 A205 L206 Y219 | K199-T202 PolarHBondContact O-N 3.37Å; W200-T202 VanDerWaalsContact C-N 3.34Å; W200-T202 PolarHBondContact O-N 2.98Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 3.18Å; T202-A205 PolarHBondContact O-N 3.48Å; T202-L206 HydrophobicContact CG2-CD1 4.02Å; T202-L206 HydrophobicContact CG2-CG 4.33Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 VanDerWaalsContact O-CG 3.29Å; T202-L206 WeakPolarHBondContact O-CG 3.21Å; T202-L206 PolarHBondContact O-N 3.16Å; T202-Y219 HydrophobicContact CG2-CE1 4.35Å; T202-Y219 HydrophobicContact CG2-CE2 4.11Å |
| 203 | A | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K199 W200 L206 S207 Y219 L220 I247 Y260 | K199-A203 PolarHBondContact O-N 2.74Å; K199-A203 VanDerWaalsContact O-N 3.1Å; W200-A203 PolarHBondContact O-N 3.45Å; A203-L206 PolarHBondContact O-N 3.33Å; A203-S207 WeakPolarHBondContact O-CB 3.44Å; A203-S207 PolarHBondContact O-N 3.2Å; A203-Y219 HydrophobicContact CB-CD1 3.97Å; A203-Y219 HydrophobicContact CB-CE1 4.04Å; A203-L220 HydrophobicContact CB-CD2 4.26Å; A203-I247 HydrophobicContact CB-CG2 4.19Å; A203-Y260 HydrophobicContact CB-CE1 4.25Å |
| 204 | L | 94.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 177.6 | -172.3 | 135.3 | 0 | 0 | 0 | 112.4 | W200 S201 T202 L206 S207 I208 I247 | W200-L204 HydrophobicContact CH2-CD1 3.8Å; W200-L204 HydrophobicContact CZ2-CD1 3.65Å; W200-L204 HydrophobicContact CZ3-CD1 4.48Å; W200-L204 WeakPolarHBondContact O-CB 3.23Å; W200-L204 PolarHBondContact O-N 3.2Å; S201-L204 PolarHBondContact O-N 3.35Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 3.18Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.02Å; L204-S207 WeakPolarHBondContact O-CB 3.38Å; L204-S207 PolarHBondContact O-N 3.05Å; L204-I208 HydrophobicContact CD2-CD1 3.67Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.85Å; L204-I247 HydrophobicContact CB-CG2 4.22Å |
| 205 | A | 95.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 53 Ų | 53 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S201 T202 S207 I208 T209 | S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.4Å; T202-A205 PolarHBondContact O-N 3.48Å; A205-S207 VanDerWaalsContact C-N 3.33Å; A205-I208 PolarHBondContact O-N 3.15Å; A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 3.31Å |
| 206 | L | 93.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 175.4 | -71.4 | 176.1 | 0 | 0 | 0 | 111.9 | T202 A203 L204 L210 G211 Y219 | T202-L206 HydrophobicContact CG2-CD1 4.02Å; T202-L206 HydrophobicContact CG2-CG 4.33Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 VanDerWaalsContact O-CG 3.29Å; T202-L206 WeakPolarHBondContact O-CG 3.21Å; T202-L206 PolarHBondContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.02Å; L206-L210 HydrophobicContact CD2-CD1 3.9Å; L206-L210 CarbonylContact O-C 3.59Å; L206-L210 WeakPolarHBondContact O-CA 3.35Å; L206-L210 PolarHBondContact O-N 3.45Å; L206-G211 PolarHBondContact O-N 2.88Å; L206-Y219 HydrophobicContact CD1-CD1 4.31Å; L206-Y219 HydrophobicContact CD1-CD2 4Å; L206-Y219 HydrophobicContact CD1-CG 3.73Å |
| 207 | S | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.5 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | A203 L204 A205 G211 D243 V244 | A203-S207 WeakPolarHBondContact O-CB 3.44Å; A203-S207 PolarHBondContact O-N 3.2Å; L204-S207 WeakPolarHBondContact O-CB 3.38Å; L204-S207 PolarHBondContact O-N 3.05Å; A205-S207 VanDerWaalsContact C-N 3.33Å; S207-G211 WeakPolarHBondContact O-CA 3.3Å; S207-G211 PolarHBondContact O-N 3.09Å; S207-G211 VanDerWaalsContact O-N 3.14Å; S207-D243 WeakPolarHBondContact OG-CB 3.34Å; S207-V244 WeakPolarHBondContact OG-CG2 3.41Å; S207-V244 PolarHBondContact OG-N 3.34Å |
| 208 | I | 92.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 51 Ų | 51 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.3 | -45.8 | 178.5 | -64.3 | 168.1 | 0 | 0 | 0 | 111.9 | L204 A205 V244 | L204-I208 HydrophobicContact CD2-CD1 3.67Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.85Å; A205-I208 PolarHBondContact O-N 3.15Å; I208-V244 HydrophobicContact CG1-CG1 4.48Å; I208-V244 HydrophobicContact CG1-CG2 3.71Å |
| 209 | T | 91.3 | Very high | 91.8 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -88 | -36.5 | -170.8 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | A205 | A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 3.31Å |
| 210 | L | 90 | Very high | 91.6 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -133 | 12.5 | -169 | -70.3 | 153.4 | 0 | 0 | 0 | 112.3 | L206 G212 F213 G214 A215 | L206-L210 HydrophobicContact CD2-CD1 3.9Å; L206-L210 CarbonylContact O-C 3.59Å; L206-L210 WeakPolarHBondContact O-CA 3.35Å; L206-L210 PolarHBondContact O-N 3.45Å; L210-G212 PolarHBondContact O-N 2.99Å; L210-F213 HydrophobicContact CD2-CD2 4.28Å; L210-F213 PolarHBondContact O-N 3.43Å; L210-F213 VanDerWaalsContact O-N 3.14Å; L210-G214 PolarHBondContact O-N 2.93Å; L210-A215 HydrophobicContact CB-CB 3.54Å; L210-A215 PolarHBondContact O-N 3Å |
| 211 | G | 84.8 | Confident | 91.4 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -63.3 | -28.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L206 S207 F213 G214 | L206-G211 PolarHBondContact O-N 2.88Å; S207-G211 WeakPolarHBondContact O-CA 3.3Å; S207-G211 PolarHBondContact O-N 3.09Å; S207-G211 VanDerWaalsContact O-N 3.14Å; G211-F213 PolarHBondContact O-N 3.44Å; G211-G214 WeakPolarHBondContact O-CA 3.03Å; G211-G214 PolarHBondContact O-N 3.32Å |
| 212 | G | 85.6 | Confident | 91.3 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -64.9 | -28 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L210 G234 | L210-G212 PolarHBondContact O-N 2.99Å; G212-G234 WeakPolarHBondContact O-CA 3.45Å; G212-G234 PolarHBondContact O-N 3.32Å |
| 213 | F | 89.1 | Confident | 91.1 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 58% | 0.575 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -90.7 | -1 | 173.1 | -59.1 | -74.7 | 0 | 0 | 0 | 112.8 | L210 G211 L230 | L210-F213 HydrophobicContact CD2-CD2 4.28Å; L210-F213 PolarHBondContact O-N 3.43Å; L210-F213 VanDerWaalsContact O-N 3.14Å; G211-F213 PolarHBondContact O-N 3.44Å; F213-L230 HydrophobicContact CB-CD1 4.27Å; F213-L230 HydrophobicContact CD1-CD1 4.05Å |
| 214 | G | 89 | Confident | 91 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 20.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L210 G211 D216 R217 F218 | L210-G214 PolarHBondContact O-N 2.93Å; G211-G214 WeakPolarHBondContact O-CA 3.03Å; G211-G214 PolarHBondContact O-N 3.32Å; G214-D216 VanDerWaalsContact C-OD1 3.24Å; G214-D216 WeakPolarHBondContact CA-OD1 3.24Å; G214-D216 PolarHBondContact O-N 2.86Å; G214-R217 PolarHBondContact O-N 3.39Å; G214-F218 WeakPolarHBondContact O-CD2 3.34Å; G214-F218 PolarHBondContact O-N 2.9Å |
| 215 | A | 92.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L210 Y219 | L210-A215 HydrophobicContact CB-CB 3.54Å; L210-A215 PolarHBondContact O-N 3Å; A215-Y219 WeakPolarHBondContact O-CB 3.4Å; A215-Y219 PolarHBondContact O-N 3.14Å |
| 216 | D | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 172.4 | 63.4 | -40.6 | 0 | 0 | 0 | 112.5 | G214 Y219 L220 K229 D243 I247 | G214-D216 VanDerWaalsContact C-OD1 3.24Å; G214-D216 WeakPolarHBondContact CA-OD1 3.24Å; G214-D216 PolarHBondContact O-N 2.86Å; D216-Y219 PolarHBondContact O-N 3.33Å; D216-L220 WeakPolarHBondContact O-CG 3.43Å; D216-L220 PolarHBondContact O-N 3.29Å; D216-L220 VanDerWaalsContact O-N 3.13Å; D216-K229 VanDerWaalsContact CG-NZ 3.27Å; D216-K229 IonicContact OD1-NZ 2.94Å; D216-K229 PolarHBondContact OD1-NZ 2.98Å; D216-K229 IonicContact OD2-NZ 2.81Å; D216-K229 PolarHBondContact OD2-NZ 3.49Å; D216-D243 WeakPolarHBondContact OD2-CB 3.42Å; D216-I247 HydrophobicContact CB-CD1 4.1Å |
| 217 | R | 91.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.1 | -38.6 | 178.6 | -61.9 | -71.1 | 164 | -159.6 | -6.6 | 111.9 | G214 Y219 L220 G221 Q222 E225 K229 D243 | G214-R217 PolarHBondContact O-N 3.39Å; R217-Y219 VanDerWaalsContact C-N 3.33Å; R217-L220 PolarHBondContact O-N 3.14Å; R217-G221 PolarHBondContact O-N 3.25Å; R217-Q222 HydrophobicContact CB-CB 4.31Å; R217-Q222 CarbonylContact O-C 3.58Å; R217-Q222 WeakPolarHBondContact O-CA 3.46Å; R217-Q222 PolarHBondContact O-N 2.53Å; R217-E225 HydrophobicContact CG-CB 4.37Å; R217-E225 IonicContact NE-OE2 3.97Å; R217-E225 IonicContact NH1-OE2 3.96Å; R217-K229 HydrophobicContact CG-CD 4.13Å; R217-K229 VanDerWaalsContact CG-CE 3.49Å; R217-D243 IonicContact CZ-OD1 3.27Å; R217-D243 VanDerWaalsContact CZ-OD1 3.27Å; R217-D243 IonicContact NE-OD1 3.07Å; R217-D243 PolarHBondContact NE-OD1 2.98Å; R217-D243 VanDerWaalsContact NE-OD1 3.07Å; R217-D243 IonicContact NH2-OD1 2.67Å; R217-D243 PolarHBondContact NH2-OD1 3.04Å |
| 218 | F | 92.7 | Very high | 90.1 | Very high | 87 Ų | 87 | 60.4 Ų | 60.4 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 172.9 | -69.5 | -61.5 | 0 | 0 | 0 | 111.5 | G214 L220 G221 W223 L227 | G214-F218 WeakPolarHBondContact O-CD2 3.34Å; G214-F218 PolarHBondContact O-N 2.9Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 3.23Å; F218-G221 PolarHBondContact O-N 2.81Å; F218-G221 VanDerWaalsContact O-N 3.15Å; F218-W223 HydrophobicContact CD1-CB 4.06Å; F218-W223 HydrophobicContact CE1-CB 4.09Å; F218-W223 WeakPolarHBondContact CE1-O 3.33Å; F218-L227 HydrophobicContact CZ-CB 4.49Å; F218-L227 HydrophobicContact CZ-CD1 4.44Å |
| 219 | Y | 92.4 | Very high | 90 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 26% | 0.263 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.8 | 177.7 | -107.1 | 0 | 0 | 0 | 112.3 | Y198 K199 T202 A203 L206 A215 D216 R217 G221 | Y198-Y219 HydrophobicContact CD1-CE1 4.11Å; Y198-Y219 WeakPolarHBondContact CE1-O 3.07Å; K199-Y219 PolarHBondContact N-OH 3.34Å; T202-Y219 HydrophobicContact CG2-CE1 4.35Å; T202-Y219 HydrophobicContact CG2-CE2 4.11Å; A203-Y219 HydrophobicContact CB-CD1 3.97Å; A203-Y219 HydrophobicContact CB-CE1 4.04Å; L206-Y219 HydrophobicContact CD1-CD1 4.31Å; L206-Y219 HydrophobicContact CD1-CD2 4Å; L206-Y219 HydrophobicContact CD1-CG 3.73Å; A215-Y219 WeakPolarHBondContact O-CB 3.4Å; A215-Y219 PolarHBondContact O-N 3.14Å; D216-Y219 PolarHBondContact O-N 3.33Å; R217-Y219 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.43Å |
| 220 | L | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 3.1 | 178.4 | -64 | 176.9 | 0 | 0 | 0 | 114.4 | A203 D216 R217 F218 Q222 V252 P254 A255 Y260 | A203-L220 HydrophobicContact CB-CD2 4.26Å; D216-L220 WeakPolarHBondContact O-CG 3.43Å; D216-L220 PolarHBondContact O-N 3.29Å; D216-L220 VanDerWaalsContact O-N 3.13Å; R217-L220 PolarHBondContact O-N 3.14Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 3.23Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 HydrophobicContact CB-CG 4.48Å; L220-Q222 PolarHBondContact O-N 2.95Å; L220-V252 HydrophobicContact CD1-CG1 4.29Å; L220-P254 HydrophobicContact CD2-CG 4.22Å; L220-A255 WeakPolarHBondContact O-CB 3.43Å; L220-A255 PolarHBondContact O-N 3.04Å; L220-Y260 HydrophobicContact CD2-CE1 3.68Å; L220-Y260 VanDerWaalsContact CD2-OH 3.28Å; L220-Y260 WeakPolarHBondContact CD2-OH 3.19Å |
| 221 | G | 89.9 | Confident | 89.8 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 4.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R217 F218 Y219 W223 | R217-G221 PolarHBondContact O-N 3.25Å; F218-G221 PolarHBondContact O-N 2.81Å; F218-G221 VanDerWaalsContact O-N 3.15Å; Y219-G221 PolarHBondContact O-N 3.43Å; G221-W223 VanDerWaalsContact C-N 3.27Å; G221-W223 PolarHBondContact O-N 2.94Å; G221-W223 VanDerWaalsContact O-N 3.09Å |
| 222 | Q | 90.5 | Very high | 89.7 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | trans | -87.7 | 57.8 | -179.7 | -61.9 | 172.4 | 9.8 | 0 | 0 | 111.2 | R217 L220 R224 E225 G226 G253 A255 | R217-Q222 HydrophobicContact CB-CB 4.31Å; R217-Q222 CarbonylContact O-C 3.58Å; R217-Q222 WeakPolarHBondContact O-CA 3.46Å; R217-Q222 PolarHBondContact O-N 2.53Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 HydrophobicContact CB-CG 4.48Å; L220-Q222 PolarHBondContact O-N 2.95Å; Q222-R224 VanDerWaalsContact C-N 3.27Å; Q222-R224 PolarHBondContact O-N 3.04Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E225 PolarHBondContact OE1-OE2 3.01Å; Q222-G226 PolarHBondContact O-N 3.27Å; Q222-G226 VanDerWaalsContact O-N 3.09Å; Q222-G253 PolarHBondContact NE2-O 3.47Å; Q222-A255 HydrophobicContact CG-CB 4.03Å | ||
| 223 | W | 90.7 | Very high | 89.5 | Confident | 164 Ų | 164 | 68.6 Ų | 68.6 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.3 | -31.7 | -170.9 | 69.9 | -91 | 0 | 0 | 0 | 114.3 | F218 G221 G226 L227 | F218-W223 HydrophobicContact CD1-CB 4.06Å; F218-W223 HydrophobicContact CE1-CB 4.09Å; F218-W223 WeakPolarHBondContact CE1-O 3.33Å; G221-W223 VanDerWaalsContact C-N 3.27Å; G221-W223 PolarHBondContact O-N 2.94Å; G221-W223 VanDerWaalsContact O-N 3.09Å; W223-G226 PolarHBondContact O-N 3.46Å; W223-L227 WeakPolarHBondContact O-CB 3.28Å; W223-L227 PolarHBondContact O-N 3.14Å |
| 224 | R | 92.3 | Very high | 88.6 | Confident | 194 Ų | 194 | 62.4 Ų | 62.4 | 73% | 0.732 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 179.3 | -64.9 | 176.4 | 66.1 | -161.6 | 0.1 | 111.8 | Q222 G228 | Q222-R224 VanDerWaalsContact C-N 3.27Å; Q222-R224 PolarHBondContact O-N 3.04Å; R224-G228 PolarHBondContact O-N 3.18Å |
| 225 | E | 88.8 | Confident | 87.6 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.8 | -38.8 | 177.4 | -65.1 | -177.8 | -175.3 | 0 | 0 | 111.1 | R217 Q222 L227 G228 K229 | R217-E225 HydrophobicContact CG-CB 4.37Å; R217-E225 IonicContact NE-OE2 3.97Å; R217-E225 IonicContact NH1-OE2 3.96Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E225 PolarHBondContact OE1-OE2 3.01Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.1Å; E225-G228 PolarHBondContact O-N 2.83Å; E225-K229 PolarHBondContact O-N 3.18Å; E225-K229 VanDerWaalsContact O-N 3.14Å |
| 226 | G | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q222 W223 G228 K229 L230 | Q222-G226 PolarHBondContact O-N 3.27Å; Q222-G226 VanDerWaalsContact O-N 3.09Å; W223-G226 PolarHBondContact O-N 3.46Å; G226-G228 VanDerWaalsContact C-N 3.34Å; G226-G228 PolarHBondContact O-N 3.06Å; G226-K229 PolarHBondContact O-N 3.44Å; G226-L230 PolarHBondContact O-N 3.09Å |
| 227 | L | 90.3 | Very high | 86.4 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 178.4 | -155.7 | 70.7 | 0 | 0 | 0 | 112.5 | F218 W223 E225 K229 L230 F231 | F218-L227 HydrophobicContact CZ-CB 4.49Å; F218-L227 HydrophobicContact CZ-CD1 4.44Å; W223-L227 WeakPolarHBondContact O-CB 3.28Å; W223-L227 PolarHBondContact O-N 3.14Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.1Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-L230 HydrophobicContact CD1-CD2 4.32Å; L227-L230 PolarHBondContact O-N 3.46Å; L227-F231 HydrophobicContact CD1-CE2 4.17Å; L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 3.76Å; L227-F231 HydrophobicContact CG-CD2 3.94Å; L227-F231 HydrophobicContact CG-CE2 3.54Å; L227-F231 HydrophobicContact CG-CZ 4.46Å; L227-F231 VanDerWaalsContact O-CD2 3.22Å; L227-F231 WeakPolarHBondContact O-CD2 3.46Å; L227-F231 PolarHBondContact O-N 2.72Å |
| 228 | G | 88.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R224 E225 G226 S232 | R224-G228 PolarHBondContact O-N 3.18Å; E225-G228 PolarHBondContact O-N 2.83Å; G226-G228 VanDerWaalsContact C-N 3.34Å; G226-G228 PolarHBondContact O-N 3.06Å; G228-S232 WeakPolarHBondContact O-CB 3.44Å; G228-S232 PolarHBondContact O-N 3.2Å; G228-S232 VanDerWaalsContact O-N 3.13Å; G228-S232 PolarHBondContact O-OG 3.46Å |
| 229 | K | 88.8 | Confident | 86 | Confident | 7 Ų | 7 | 78.4 Ų | 78.4 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 173.2 | -67.5 | -179.6 | -177.3 | -174.7 | 0 | 112 | D216 R217 E225 G226 L227 S232 F233 G234 D243 | D216-K229 VanDerWaalsContact CG-NZ 3.27Å; D216-K229 IonicContact OD1-NZ 2.94Å; D216-K229 PolarHBondContact OD1-NZ 2.98Å; D216-K229 IonicContact OD2-NZ 2.81Å; D216-K229 PolarHBondContact OD2-NZ 3.49Å; R217-K229 HydrophobicContact CG-CD 4.13Å; R217-K229 VanDerWaalsContact CG-CE 3.49Å; E225-K229 PolarHBondContact O-N 3.18Å; E225-K229 VanDerWaalsContact O-N 3.14Å; G226-K229 PolarHBondContact O-N 3.44Å; L227-K229 VanDerWaalsContact C-N 3.34Å; K229-S232 WeakPolarHBondContact CA-OG 3.44Å; K229-S232 PolarHBondContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 2.87Å; K229-S232 VanDerWaalsContact O-OG 3.09Å; K229-F233 PolarHBondContact O-N 3.1Å; K229-G234 PolarHBondContact O-N 3.46Å; K229-D243 WeakPolarHBondContact CE-OD1 3.01Å; K229-D243 WeakPolarHBondContact CE-OD2 3.15Å; K229-D243 IonicContact NZ-OD1 2.95Å; K229-D243 PolarHBondContact NZ-OD1 3.14Å; K229-D243 IonicContact NZ-OD2 2.53Å; K229-D243 PolarHBondContact NZ-OD2 3.28Å |
| 230 | L | 88.8 | Confident | 85.9 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 179.8 | -168.3 | 70.1 | 0 | 0 | 0 | 111.8 | F213 G226 L227 S232 F233 | F213-L230 HydrophobicContact CB-CD1 4.27Å; F213-L230 HydrophobicContact CD1-CD1 4.05Å; G226-L230 PolarHBondContact O-N 3.09Å; L227-L230 HydrophobicContact CD1-CD2 4.32Å; L227-L230 PolarHBondContact O-N 3.46Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 3.11Å; L230-F233 PolarHBondContact O-N 3.11Å; L230-F233 VanDerWaalsContact O-N 3.16Å |
| 231 | F | 87.6 | Confident | 85.9 | Confident | 155 Ų | 155 | 83.2 Ų | 83.2 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.9 | -27 | 178.6 | -74.2 | -56.5 | 0 | 0 | 0 | 114 | L227 F233 | L227-F231 HydrophobicContact CD1-CE2 4.17Å; L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 3.76Å; L227-F231 HydrophobicContact CG-CD2 3.94Å; L227-F231 HydrophobicContact CG-CE2 3.54Å; L227-F231 HydrophobicContact CG-CZ 4.46Å; L227-F231 VanDerWaalsContact O-CD2 3.22Å; L227-F231 WeakPolarHBondContact O-CD2 3.46Å; L227-F231 PolarHBondContact O-N 2.72Å; F231-F233 PolarHBondContact O-N 3.24Å |
| 232 | S | 83.6 | Confident | 86 | Confident | 51 Ų | 51 | 85 Ų | 85 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 8.5 | 172.7 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | G228 K229 L230 G234 G235 | G228-S232 WeakPolarHBondContact O-CB 3.44Å; G228-S232 PolarHBondContact O-N 3.2Å; G228-S232 VanDerWaalsContact O-N 3.13Å; G228-S232 PolarHBondContact O-OG 3.46Å; K229-S232 WeakPolarHBondContact CA-OG 3.44Å; K229-S232 PolarHBondContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 2.87Å; K229-S232 VanDerWaalsContact O-OG 3.09Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 3.11Å; S232-G234 PolarHBondContact O-N 2.89Å; S232-G234 VanDerWaalsContact O-N 3.13Å; S232-G235 PolarHBondContact O-N 3.2Å |
| 233 | F | 80.8 | Confident | 86 | Confident | 191 Ų | 191 | 83.6 Ų | 83.6 | 84% | 0.838 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | 48.7 | 35.5 | -173.5 | -68.8 | -86.4 | 0 | 0 | 0 | 112.5 | K229 L230 F231 G235 | K229-F233 PolarHBondContact O-N 3.1Å; L230-F233 PolarHBondContact O-N 3.11Å; L230-F233 VanDerWaalsContact O-N 3.16Å; F231-F233 PolarHBondContact O-N 3.24Å; F233-G235 PolarHBondContact O-N 3.25Å |
| 234 | G | 69.9 | Low | 86.1 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | 65.7 | 16.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | G212 K229 S232 L236 G237 | G212-G234 WeakPolarHBondContact O-CA 3.45Å; G212-G234 PolarHBondContact O-N 3.32Å; K229-G234 PolarHBondContact O-N 3.46Å; S232-G234 PolarHBondContact O-N 2.89Å; S232-G234 VanDerWaalsContact O-N 3.13Å; G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.19Å; G234-G237 PolarHBondContact O-N 2.67Å; G234-G237 VanDerWaalsContact O-N 3.11Å |
| 235 | G | 68.1 | Low | 86.1 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | 45.2 | 50.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S232 F233 G237 I238 | S232-G235 PolarHBondContact O-N 3.2Å; F233-G235 PolarHBondContact O-N 3.25Å; G235-G237 PolarHBondContact O-N 3.43Å; G235-G237 VanDerWaalsContact O-N 3.08Å; G235-I238 PolarHBondContact O-N 3.25Å; G235-I238 VanDerWaalsContact O-N 3.15Å |
| 236 | L | 78.8 | Confident | 86.2 | Confident | 179 Ų | 179 | 71.5 Ų | 71.5 | 94% | 0.937 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | 57.2 | 22.4 | 176.3 | -59.5 | 170.2 | 0 | 0 | 0 | 115.1 | G234 | G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.19Å |
| 237 | G | 80.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | 91.8 | -0 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | G234 G235 T240 L241 | G234-G237 PolarHBondContact O-N 2.67Å; G234-G237 VanDerWaalsContact O-N 3.11Å; G235-G237 PolarHBondContact O-N 3.43Å; G235-G237 VanDerWaalsContact O-N 3.08Å; G237-T240 WeakPolarHBondContact CA-OG1 3.45Å; G237-T240 PolarHBondContact O-OG1 3.13Å; G237-L241 PolarHBondContact O-N 3.16Å |
| 238 | I | 87.7 | Confident | 86.3 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 54% | 0.544 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 173.5 | -66.4 | 160.7 | 0 | 0 | 0 | 110.1 | G235 T240 L241 I242 | G235-I238 PolarHBondContact O-N 3.25Å; G235-I238 VanDerWaalsContact O-N 3.15Å; I238-T240 PolarHBondContact O-N 2.87Å; I238-L241 PolarHBondContact O-N 3.09Å; I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.13Å; I238-I242 VanDerWaalsContact O-N 3.11Å |
| 239 | W | 88.4 | Confident | 86.5 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 45% | 0.451 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 176.5 | -73.6 | 101.4 | 0 | 0 | 0 | 111.1 | L241 I242 D243 | W239-L241 VanDerWaalsContact C-N 3.27Å; W239-L241 PolarHBondContact O-N 2.86Å; W239-I242 PolarHBondContact O-N 3.29Å; W239-I242 VanDerWaalsContact O-N 3.1Å; W239-D243 VanDerWaalsContact C-OD2 3.27Å; W239-D243 VanDerWaalsContact O-CG 3.29Å; W239-D243 PolarHBondContact O-N 3.14Å |
| 240 | T | 89.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 178.6 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | G237 I238 D243 V244 | G237-T240 WeakPolarHBondContact CA-OG1 3.45Å; G237-T240 PolarHBondContact O-OG1 3.13Å; I238-T240 PolarHBondContact O-N 2.87Å; T240-D243 PolarHBondContact O-N 3.18Å; T240-V244 WeakPolarHBondContact O-CB 3.48Å; T240-V244 VanDerWaalsContact O-CG2 3.23Å; T240-V244 WeakPolarHBondContact O-CG2 3.26Å; T240-V244 PolarHBondContact O-N 3.15Å |
| 241 | L | 91.2 | Very high | 86.2 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.6 | -46.6 | 177.5 | -170.5 | 80 | 0 | 0 | 0 | 111.6 | G237 I238 W239 V244 L245 | G237-L241 PolarHBondContact O-N 3.16Å; I238-L241 PolarHBondContact O-N 3.09Å; W239-L241 VanDerWaalsContact C-N 3.27Å; W239-L241 PolarHBondContact O-N 2.86Å; L241-V244 PolarHBondContact O-N 3.48Å; L241-L245 PolarHBondContact O-N 3.31Å; L241-L245 VanDerWaalsContact O-N 3.14Å |
| 242 | I | 91 | Very high | 86.2 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.7 | -66.3 | 169.3 | 0 | 0 | 0 | 110.2 | I238 W239 L245 L246 | I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.13Å; I238-I242 VanDerWaalsContact O-N 3.11Å; W239-I242 PolarHBondContact O-N 3.29Å; W239-I242 VanDerWaalsContact O-N 3.1Å; I242-L245 PolarHBondContact O-N 2.97Å; I242-L246 HydrophobicContact CG2-CD1 3.68Å; I242-L246 HydrophobicContact CG2-CG 4.13Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.34Å |
| 243 | D | 90.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | -178.6 | -66.2 | -65.6 | 0 | 0 | 0 | 112.9 | S207 D216 R217 K229 W239 T240 L245 L246 I247 | S207-D243 WeakPolarHBondContact OG-CB 3.34Å; D216-D243 WeakPolarHBondContact OD2-CB 3.42Å; R217-D243 IonicContact CZ-OD1 3.27Å; R217-D243 VanDerWaalsContact CZ-OD1 3.27Å; R217-D243 IonicContact NE-OD1 3.07Å; R217-D243 PolarHBondContact NE-OD1 2.98Å; R217-D243 VanDerWaalsContact NE-OD1 3.07Å; R217-D243 IonicContact NH2-OD1 2.67Å; R217-D243 PolarHBondContact NH2-OD1 3.04Å; K229-D243 WeakPolarHBondContact CE-OD1 3.01Å; K229-D243 WeakPolarHBondContact CE-OD2 3.15Å; K229-D243 IonicContact NZ-OD1 2.95Å; K229-D243 PolarHBondContact NZ-OD1 3.14Å; K229-D243 IonicContact NZ-OD2 2.53Å; K229-D243 PolarHBondContact NZ-OD2 3.28Å; W239-D243 VanDerWaalsContact C-OD2 3.27Å; W239-D243 VanDerWaalsContact O-CG 3.29Å; W239-D243 PolarHBondContact O-N 3.14Å; T240-D243 PolarHBondContact O-N 3.18Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.19Å; D243-L246 PolarHBondContact O-N 3.38Å; D243-I247 WeakPolarHBondContact O-CB 3.28Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.43Å; D243-I247 PolarHBondContact O-N 3.34Å |
| 244 | V | 92.9 | Very high | 86.8 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.5 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | S207 I208 T240 L241 G248 | S207-V244 WeakPolarHBondContact OG-CG2 3.41Å; S207-V244 PolarHBondContact OG-N 3.34Å; I208-V244 HydrophobicContact CG1-CG1 4.48Å; I208-V244 HydrophobicContact CG1-CG2 3.71Å; T240-V244 WeakPolarHBondContact O-CB 3.48Å; T240-V244 VanDerWaalsContact O-CG2 3.23Å; T240-V244 WeakPolarHBondContact O-CG2 3.26Å; T240-V244 PolarHBondContact O-N 3.15Å; L241-V244 PolarHBondContact O-N 3.48Å; V244-G248 WeakPolarHBondContact O-CA 3.4Å; V244-G248 PolarHBondContact O-N 3.34Å |
| 245 | L | 93.7 | Very high | 87.6 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 175.7 | -179.8 | 65.7 | 0 | 0 | 0 | 111.6 | L241 I242 D243 G248 V249 | L241-L245 PolarHBondContact O-N 3.31Å; L241-L245 VanDerWaalsContact O-N 3.14Å; I242-L245 PolarHBondContact O-N 2.97Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.19Å; L245-G248 PolarHBondContact O-N 2.93Å; L245-V249 HydrophobicContact CD1-CG2 4.1Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.26Å |
| 246 | L | 91.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | -176.5 | -71.8 | 178.1 | 0 | 0 | 0 | 113.3 | I242 D243 G250 Y251 V252 | I242-L246 HydrophobicContact CG2-CD1 3.68Å; I242-L246 HydrophobicContact CG2-CG 4.13Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.34Å; D243-L246 PolarHBondContact O-N 3.38Å; L246-G250 PolarHBondContact O-N 3.42Å; L246-Y251 HydrophobicContact CD2-CD1 3.87Å; L246-Y251 HydrophobicContact CD2-CG 4.32Å; L246-Y251 PolarHBondContact O-N 3.23Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG2 4.28Å; L246-V252 PolarHBondContact O-N 3.48Å |
| 247 | I | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.7 | -39.8 | 174.4 | -65.5 | 168 | 0 | 0 | 0 | 109.7 | W200 A203 L204 D216 D243 V249 G250 | W200-I247 PolarHBondContact NE1-O 3.13Å; A203-I247 HydrophobicContact CB-CG2 4.19Å; L204-I247 HydrophobicContact CB-CG2 4.22Å; D216-I247 HydrophobicContact CB-CD1 4.1Å; D243-I247 WeakPolarHBondContact O-CB 3.28Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.43Å; D243-I247 PolarHBondContact O-N 3.34Å; I247-V249 PolarHBondContact O-N 3.27Å; I247-G250 PolarHBondContact O-N 3.2Å |
| 248 | G | 90.2 | Very high | 88.9 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V244 L245 G250 | V244-G248 WeakPolarHBondContact O-CA 3.4Å; V244-G248 PolarHBondContact O-N 3.34Å; L245-G248 PolarHBondContact O-N 2.93Å; G248-G250 PolarHBondContact O-N 2.98Å |
| 249 | V | 91.3 | Very high | 88.9 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.6 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | L245 I247 Y251 | L245-V249 HydrophobicContact CD1-CG2 4.1Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.26Å; I247-V249 PolarHBondContact O-N 3.27Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.4Å |
| 250 | G | 85.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L246 I247 G248 V252 | L246-G250 PolarHBondContact O-N 3.42Å; I247-G250 PolarHBondContact O-N 3.2Å; G248-G250 PolarHBondContact O-N 2.98Å; G250-V252 VanDerWaalsContact C-N 3.33Å |
| 251 | Y | 86.4 | Confident | 88.9 | Confident | 187 Ų | 187 | 58.3 Ų | 58.3 | 73% | 0.733 | 33% | 0.332 | S | S | * | . | trans | -67.2 | -36.1 | 177 | -176.2 | -99.1 | 0 | 0 | 0 | 111.5 | L246 V249 | L246-Y251 HydrophobicContact CD2-CD1 3.87Å; L246-Y251 HydrophobicContact CD2-CG 4.32Å; L246-Y251 PolarHBondContact O-N 3.23Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.4Å | ||
| 252 | V | 87.5 | Confident | 88.8 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -103.3 | 118.9 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | L220 L246 G250 Y260 | L220-V252 HydrophobicContact CD1-CG1 4.29Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG2 4.28Å; L246-V252 PolarHBondContact O-N 3.48Å; G250-V252 VanDerWaalsContact C-N 3.33Å; V252-Y260 PolarHBondContact O-OH 3.11Å |
| 253 | G | 86.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | trans | -103.8 | 179.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q222 | Q222-G253 PolarHBondContact NE2-O 3.47Š| ||
| 254 | P | 89.9 | Confident | 88.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | trans | -57.1 | 146.8 | 173.2 | -22.5 | 33.5 | 0 | 0 | 0 | 112.9 | Y198 L220 D256 G257 S258 Y260 | Y198-P254 HydrophobicContact CD1-CB 4.48Å; Y198-P254 HydrophobicContact CD2-CB 3.46Å; Y198-P254 VanDerWaalsContact CD2-CB 3.46Å; Y198-P254 HydrophobicContact CD2-CG 3.46Å; Y198-P254 VanDerWaalsContact CD2-CG 3.46Å; Y198-P254 HydrophobicContact CE2-CB 3.6Å; Y198-P254 HydrophobicContact CE2-CG 4.15Å; Y198-P254 HydrophobicContact CG-CB 3.92Å; Y198-P254 HydrophobicContact CG-CG 3.66Å; L220-P254 HydrophobicContact CD2-CG 4.22Å; P254-D256 PolarHBondContact O-N 3.14Å; P254-G257 PolarHBondContact O-N 3.43Å; P254-S258 WeakPolarHBondContact CD-O 3.17Å; P254-Y260 HydrophobicContact CG-CD1 4.38Å; P254-Y260 HydrophobicContact CG-CE1 4.09Å | ||
| 255 | A | 87.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L220 Q222 G257 | L220-A255 WeakPolarHBondContact O-CB 3.43Å; L220-A255 PolarHBondContact O-N 3.04Å; Q222-A255 HydrophobicContact CG-CB 4.03Å; A255-G257 PolarHBondContact O-N 3.47Å |
| 256 | D | 84.4 | Confident | 88 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -4.5 | 178 | -53 | -46.3 | 0 | 0 | 0 | 113.1 | W194 Y198 P254 S258 | W194-D256 HydrophobicContact CH2-CB 4.28Å; W194-D256 HydrophobicContact CZ3-CB 3.91Å; Y198-D256 WeakPolarHBondContact CE2-OD2 3.43Å; Y198-D256 PolarHBondContact OH-OD2 3.01Å; P254-D256 PolarHBondContact O-N 3.14Å; D256-S258 PolarHBondContact O-N 2.97Å |
| 257 | G | 83.6 | Confident | 87.8 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | trans | 71.3 | 18 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T160 V161 P254 A255 | T160-G257 WeakPolarHBondContact CA-O 3.49Å; T160-G257 WeakPolarHBondContact CB-O 3.47Å; T160-G257 PolarHBondContact N-O 2.85Å; V161-G257 PolarHBondContact N-O 3.38Å; V161-G257 VanDerWaalsContact N-O 3.16Å; P254-G257 PolarHBondContact O-N 3.43Å; A255-G257 PolarHBondContact O-N 3.47Å | ||
| 258 | S | 87.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 161.1 | 177.9 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | W194 G196 Y198 P254 D256 | W194-S258 VanDerWaalsContact CE3-CB 3.48Å; W194-S258 VanDerWaalsContact CZ3-CB 3.41Å; W194-S258 WeakPolarHBondContact O-CA 3.39Å; G196-S258 WeakPolarHBondContact CA-OG 3.43Å; G196-S258 PolarHBondContact N-OG 2.9Å; Y198-S258 WeakPolarHBondContact CD2-OG 3.45Å; P254-S258 WeakPolarHBondContact CD-O 3.17Å; D256-S258 PolarHBondContact O-N 2.97Å |
| 259 | L | 87.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 145.2 | 174.2 | -152.3 | 149.7 | 0 | 0 | 0 | 110.1 | T160 W194 T195 | T160-L259 HydrophobicContact CG2-CB 4.04Å; T160-L259 HydrophobicContact CG2-CD1 3.84Å; T160-L259 HydrophobicContact CG2-CG 4.48Å; W194-L259 PolarHBondContact O-N 3.09Å; W194-L259 VanDerWaalsContact O-N 3.1Å; T195-L259 HydrophobicContact CG2-CB 4.21Å |
| 260 | Y | 88.1 | Confident | 87 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 14% | 0.137 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -63 | 154.6 | 171.1 | -72.8 | -67.5 | 0 | 0 | 0 | 111.8 | Y198 W200 A203 L220 V252 P254 | Y198-Y260 CarbonylContact O-C 3.57Å; Y198-Y260 WeakPolarHBondContact O-CA 3.46Å; W200-Y260 HydrophobicContact CB-CD1 4.07Å; W200-Y260 HydrophobicContact CB-CD2 4.39Å; W200-Y260 HydrophobicContact CB-CG 3.89Å; A203-Y260 HydrophobicContact CB-CE1 4.25Å; L220-Y260 HydrophobicContact CD2-CE1 3.68Å; L220-Y260 VanDerWaalsContact CD2-OH 3.28Å; L220-Y260 WeakPolarHBondContact CD2-OH 3.19Å; V252-Y260 PolarHBondContact O-OH 3.11Å; P254-Y260 HydrophobicContact CG-CD1 4.38Å; P254-Y260 HydrophobicContact CG-CE1 4.09Å |
| 261 | I | 89.4 | Confident | 87.1 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | trans | -106.9 | 0 | 171 | -54.1 | 178.3 | 0 | 0 | 0 | 109.6 | T195 Y198 K199 W200 | T195-I261 HydrophobicContact CG2-CG1 4.13Å; Y198-I261 PolarHBondContact O-N 3.36Å; K199-I261 WeakPolarHBondContact CA-O 3.3Å; W200-I261 PolarHBondContact N-O 3.19Å |
Retrieved 261 of 261 residues in 37.1 ms
(Link to these results)